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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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4978 |
1g6e ![]() ![]() |
4833 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -3.286 12.459 6.550 2 HA MET 1 HA MET 1 -2.697 12.871 9.439 3 1HB MET 1 1HB MET 1 -5.262 12.891 8.066 4 2HB MET 1 2HB MET 1 -5.185 11.567 9.254 5 1HG MET 1 1HG MET 1 -4.030 13.548 10.693 6 2HG MET 1 2HG MET 1 -5.092 14.519 9.660 7 1HE MET 1 1HE MET 1 -4.529 13.619 12.701 8 2HE MET 1 2HE MET 1 -5.915 14.699 12.986 9 3HE MET 1 3HE MET 1 -5.968 13.013 13.556 10 H ILE 2 H ILE 2 -1.420 11.210 7.313 11 HA ILE 2 HA ILE 2 -2.127 8.503 8.335 12 HB ILE 2 HB ILE 2 -2.375 8.579 5.962 13 1HG1 ILE 2 1HG1 ILE 2 0.453 7.562 6.444 14 2HG1 ILE 2 2HG1 ILE 2 -1.007 6.679 6.951 15 1HG2 ILE 2 1HG2 ILE 2 -0.553 9.447 4.491 16 2HG2 ILE 2 2HG2 ILE 2 -1.219 10.707 5.557 17 3HG2 ILE 2 3HG2 ILE 2 0.347 9.953 5.941 18 1HD1 ILE 2 1HD1 ILE 2 0.073 7.180 4.202 19 2HD1 ILE 2 2HD1 ILE 2 -0.749 5.744 4.859 20 3HD1 ILE 2 3HD1 ILE 2 -1.697 7.178 4.394 21 H ASN 3 H ASN 3 -0.602 7.287 9.376 22 HA ASN 3 HA ASN 3 2.185 8.293 9.412 23 1HB ASN 3 1HB ASN 3 0.443 8.897 11.451 24 2HB ASN 3 2HB ASN 3 1.157 7.375 12.026 25 1HD2 ASN 3 1HD2 ASN 3 1.722 10.759 11.268 26 2HD2 ASN 3 2HD2 ASN 3 3.357 10.845 11.887 27 H ARG 4 H ARG 4 3.740 6.681 9.971 28 HA ARG 4 HA ARG 4 2.953 4.025 9.134 29 1HB ARG 4 1HB ARG 4 5.193 5.274 8.749 30 2HB ARG 4 2HB ARG 4 5.589 4.783 10.414 31 1HG ARG 4 1HG ARG 4 5.005 2.401 9.737 32 2HG ARG 4 2HG ARG 4 4.918 2.979 8.056 33 1HD ARG 4 1HD ARG 4 7.139 2.500 8.004 34 2HD ARG 4 2HD ARG 4 7.315 4.042 8.869 35 HE ARG 4 HE ARG 4 6.839 1.733 10.598 36 1HH1 ARG 4 1HH1 ARG 4 10.165 1.860 11.765 37 2HH1 ARG 4 2HH1 ARG 4 8.575 1.175 12.017 38 1HH2 ARG 4 1HH2 ARG 4 10.531 3.328 10.006 39 2HH2 ARG 4 2HH2 ARG 4 9.216 3.751 8.931 40 H THR 5 H THR 5 1.844 2.703 10.459 41 HA THR 5 HA THR 5 2.560 2.751 13.351 42 HB THR 5 HB THR 5 0.212 3.384 12.761 43 HG1 THR 5 1HG THR 5 0.381 0.845 14.014 44 1HG2 THR 5 1HG2 THR 5 0.415 0.730 11.369 45 2HG2 THR 5 2HG2 THR 5 -1.136 1.157 12.129 46 3HG2 THR 5 3HG2 THR 5 -0.441 2.211 10.874 47 H ASP 6 H ASP 6 2.759 0.735 14.455 48 HA ASP 6 HA ASP 6 3.754 -1.401 12.687 49 1HB ASP 6 1HB ASP 6 4.561 -0.336 15.143 50 2HB ASP 6 2HB ASP 6 3.837 -1.902 15.566 51 H CYS 7 H CYS 7 0.893 -0.862 12.724 52 HA CYS 7 HA CYS 7 -1.118 -1.930 13.027 53 1HB CYS 7 1HB CYS 7 -0.483 -4.623 13.108 54 2HB CYS 7 2HB CYS 7 -0.775 -3.660 11.651 55 H ASN 8 H ASN 8 -1.734 -1.278 15.091 56 HA ASN 8 HA ASN 8 -0.813 -2.934 17.366 57 1HB ASN 8 1HB ASN 8 -2.132 -1.146 18.655 58 2HB ASN 8 2HB ASN 8 -0.649 -0.620 17.830 59 1HD2 ASN 8 1HD2 ASN 8 -0.837 0.503 15.765 60 2HD2 ASN 8 2HD2 ASN 8 -2.296 1.393 15.388 61 H GLU 9 H GLU 9 -3.019 -3.332 15.048 62 HA GLU 9 HA GLU 9 -4.790 -4.848 16.819 63 1HB GLU 9 1HB GLU 9 -5.505 -2.223 15.844 64 2HB GLU 9 2HB GLU 9 -6.563 -3.447 15.104 65 1HG GLU 9 1HG GLU 9 -7.340 -4.216 17.185 66 2HG GLU 9 2HG GLU 9 -5.953 -3.536 18.063 67 H ASN 10 H ASN 10 -6.810 -5.393 14.965 68 HA ASN 10 HA ASN 10 -5.294 -6.511 12.656 69 1HB ASN 10 1HB ASN 10 -7.161 -7.848 14.610 70 2HB ASN 10 2HB ASN 10 -7.041 -8.445 12.940 71 1HD2 ASN 10 1HD2 ASN 10 -6.110 -9.423 15.759 72 2HD2 ASN 10 2HD2 ASN 10 -4.447 -9.898 15.485 73 H SER 11 H SER 11 -6.194 -4.383 11.783 74 HA SER 11 HA SER 11 -8.359 -4.931 10.058 75 1HB SER 11 1HB SER 11 -10.213 -3.900 11.009 76 2HB SER 11 2HB SER 11 -9.470 -4.656 12.439 77 HG SER 11 HG SER 11 -8.260 -2.465 12.393 78 H TYR 12 H TYR 12 -5.927 -3.999 9.489 79 HA TYR 12 HA TYR 12 -6.503 -1.257 8.584 80 1HB TYR 12 1HB TYR 12 -4.147 -2.039 10.324 81 2HB TYR 12 2HB TYR 12 -4.173 -0.573 9.329 82 HD1 TYR 12 1HD TYR 12 -6.898 0.426 9.655 83 HD2 TYR 12 2HD TYR 12 -4.270 -1.359 12.546 84 HE1 TYR 12 1HE TYR 12 -8.073 1.639 11.472 85 HE2 TYR 12 2HE TYR 12 -5.445 -0.147 14.362 86 HH TYR 12 HH TYR 12 -8.432 1.360 14.017 87 H LEU 13 H LEU 13 -4.442 -0.535 7.205 88 HA LEU 13 HA LEU 13 -4.024 -2.751 5.305 89 1HB LEU 13 1HB LEU 13 -4.648 -0.897 4.087 90 2HB LEU 13 2HB LEU 13 -3.908 0.243 5.237 91 HG LEU 13 HG LEU 13 -1.655 -0.911 4.436 92 1HD1 LEU 13 1HD1 LEU 13 -2.210 -1.172 1.783 93 2HD1 LEU 13 2HD1 LEU 13 -2.175 -2.545 2.915 94 3HD1 LEU 13 3HD1 LEU 13 -3.727 -1.790 2.479 95 1HD2 LEU 13 1HD2 LEU 13 -1.375 1.163 3.600 96 2HD2 LEU 13 2HD2 LEU 13 -2.434 0.776 2.223 97 3HD2 LEU 13 3HD2 LEU 13 -3.130 1.424 3.728 98 H GLU 14 H GLU 14 -2.100 -3.751 4.978 99 HA GLU 14 HA GLU 14 0.324 -2.530 6.172 100 1HB GLU 14 1HB GLU 14 -0.334 -5.467 6.519 101 2HB GLU 14 2HB GLU 14 0.914 -4.504 7.345 102 1HG GLU 14 1HG GLU 14 -0.688 -3.337 8.646 103 2HG GLU 14 2HG GLU 14 -2.030 -3.832 7.593 104 H ILE 15 H ILE 15 1.794 -2.365 4.598 105 HA ILE 15 HA ILE 15 1.683 -4.344 2.377 106 HB ILE 15 HB ILE 15 3.029 -1.618 2.439 107 1HG1 ILE 15 1HG1 ILE 15 0.510 -2.117 0.905 108 2HG1 ILE 15 2HG1 ILE 15 0.355 -1.935 2.669 109 1HG2 ILE 15 1HG2 ILE 15 3.872 -2.308 0.466 110 2HG2 ILE 15 2HG2 ILE 15 3.015 -3.861 0.615 111 3HG2 ILE 15 3HG2 ILE 15 2.212 -2.471 -0.154 112 1HD1 ILE 15 1HD1 ILE 15 0.813 0.104 0.662 113 2HD1 ILE 15 2HD1 ILE 15 0.506 0.298 2.404 114 3HD1 ILE 15 3HD1 ILE 15 2.170 0.077 1.813 115 H HIS 16 H HIS 16 3.236 -5.850 2.312 116 HA HIS 16 HA HIS 16 5.786 -5.260 3.743 117 1HB HIS 16 1HB HIS 16 5.930 -7.696 4.126 118 2HB HIS 16 2HB HIS 16 4.490 -6.983 4.877 119 HD1 HIS 16 1HD HIS 16 5.496 -9.630 2.408 120 HD2 HIS 16 2HD HIS 16 2.083 -7.412 3.520 121 HE1 HIS 16 1HE HIS 16 3.468 -10.849 1.405 122 HE2 HIS 16 2HE HIS 16 1.402 -9.493 2.086 123 H ASN 17 H ASN 17 7.126 -4.606 2.115 124 HA ASN 17 HA ASN 17 7.155 -6.227 -0.373 125 1HB ASN 17 1HB ASN 17 8.520 -4.319 -1.245 126 2HB ASN 17 2HB ASN 17 6.888 -3.847 -0.725 127 1HD2 ASN 17 1HD2 ASN 17 8.801 -1.884 -0.960 128 2HD2 ASN 17 2HD2 ASN 17 9.291 -1.324 0.625 129 H ASN 18 H ASN 18 9.670 -5.922 -1.288 130 HA ASN 18 HA ASN 18 11.781 -6.790 -1.123 131 1HB ASN 18 1HB ASN 18 11.302 -5.575 1.576 132 2HB ASN 18 2HB ASN 18 12.729 -6.612 1.362 133 1HD2 ASN 18 1HD2 ASN 18 12.024 -3.507 1.544 134 2HD2 ASN 18 2HD2 ASN 18 13.063 -2.825 0.311 135 H GLU 19 H GLU 19 9.327 -8.459 -0.637 136 HA GLU 19 HA GLU 19 8.918 -10.672 -0.208 137 1HB GLU 19 1HB GLU 19 11.928 -10.663 0.189 138 2HB GLU 19 2HB GLU 19 10.937 -12.137 0.314 139 1HG GLU 19 1HG GLU 19 10.039 -11.647 -1.986 140 2HG GLU 19 2HG GLU 19 11.191 -10.299 -2.100 141 H GLY 20 H GLY 20 7.927 -9.247 1.687 142 1HA GLY 20 1HA GLY 20 7.410 -9.103 3.922 143 2HA GLY 20 2HA GLY 20 7.947 -10.796 4.010 144 H ARG 21 H ARG 21 9.872 -7.886 3.186 145 HA ARG 21 HA ARG 21 11.732 -8.613 5.372 146 1HB ARG 21 1HB ARG 21 12.479 -8.266 2.951 147 2HB ARG 21 2HB ARG 21 12.116 -6.540 3.189 148 1HG ARG 21 1HG ARG 21 13.626 -7.447 5.454 149 2HG ARG 21 2HG ARG 21 14.464 -7.992 3.981 150 1HD ARG 21 1HD ARG 21 13.808 -5.474 3.224 151 2HD ARG 21 2HD ARG 21 13.943 -5.226 4.978 152 HE ARG 21 HE ARG 21 16.102 -5.670 3.113 153 1HH1 ARG 21 1HH1 ARG 21 18.464 -6.102 5.697 154 2HH1 ARG 21 2HH1 ARG 21 18.237 -5.807 3.988 155 1HH2 ARG 21 1HH2 ARG 21 16.622 -6.354 7.086 156 2HH2 ARG 21 2HH2 ARG 21 15.006 -6.250 6.424 157 H ASP 22 H ASP 22 10.029 -5.750 3.991 158 HA ASP 22 HA ASP 22 10.087 -4.572 6.727 159 1HB ASP 22 1HB ASP 22 10.526 -3.189 4.055 160 2HB ASP 22 2HB ASP 22 10.304 -2.349 5.605 161 H THR 23 H THR 23 8.053 -4.492 7.474 162 HA THR 23 HA THR 23 5.854 -4.212 5.499 163 HB THR 23 HB THR 23 5.797 -5.037 8.428 164 HG1 THR 23 1HG THR 23 5.506 -7.101 7.533 165 1HG2 THR 23 1HG2 THR 23 3.500 -5.835 7.794 166 2HG2 THR 23 2HG2 THR 23 3.680 -4.067 7.693 167 3HG2 THR 23 3HG2 THR 23 3.707 -5.050 6.210 168 H LEU 24 H LEU 24 4.216 -2.644 5.793 169 HA LEU 24 HA LEU 24 4.823 -0.527 7.789 170 1HB LEU 24 1HB LEU 24 3.930 0.141 4.981 171 2HB LEU 24 2HB LEU 24 4.720 1.185 6.187 172 HG LEU 24 HG LEU 24 6.476 -1.007 5.761 173 1HD1 LEU 24 1HD1 LEU 24 5.319 0.153 3.193 174 2HD1 LEU 24 2HD1 LEU 24 6.866 -0.724 3.276 175 3HD1 LEU 24 3HD1 LEU 24 5.348 -1.557 3.688 176 1HD2 LEU 24 1HD2 LEU 24 7.601 1.060 4.380 177 2HD2 LEU 24 2HD2 LEU 24 6.372 1.938 5.321 178 3HD2 LEU 24 3HD2 LEU 24 7.596 0.950 6.156 179 H CYS 25 H CYS 25 3.098 -0.528 9.107 180 HA CYS 25 HA CYS 25 0.441 -1.168 7.977 181 1HB CYS 25 1HB CYS 25 1.067 -0.630 10.875 182 2HB CYS 25 2HB CYS 25 -0.224 -1.621 10.178 183 H PHE 26 H PHE 26 -0.861 0.442 7.346 184 HA PHE 26 HA PHE 26 -0.402 3.133 8.536 185 1HB PHE 26 1HB PHE 26 -1.610 2.246 5.898 186 2HB PHE 26 2HB PHE 26 -1.624 3.918 6.483 187 HD1 PHE 26 1HD PHE 26 0.271 1.357 4.786 188 HD2 PHE 26 2HD PHE 26 0.603 5.078 6.906 189 HE1 PHE 26 1HE PHE 26 2.521 1.715 3.806 190 HE2 PHE 26 2HE PHE 26 2.852 5.437 5.926 191 HZ PHE 26 HZ PHE 26 3.811 3.755 4.375 192 H ALA 27 H ALA 27 -2.234 4.398 9.148 193 HA ALA 27 HA ALA 27 -4.811 2.954 9.317 194 1HB ALA 27 1HB ALA 27 -4.199 2.415 11.461 195 2HB ALA 27 2HB ALA 27 -3.034 3.755 11.581 196 3HB ALA 27 3HB ALA 27 -4.776 4.070 11.771 197 H ASN 28 H ASN 28 -6.482 4.582 10.374 198 HA ASN 28 HA ASN 28 -7.596 6.576 10.202 199 1HB ASN 28 1HB ASN 28 -4.734 7.528 9.980 200 2HB ASN 28 2HB ASN 28 -6.099 8.657 9.833 201 1HD2 ASN 28 1HD2 ASN 28 -7.706 8.680 11.637 202 2HD2 ASN 28 2HD2 ASN 28 -7.127 8.385 13.263 203 H ALA 29 H ALA 29 -8.636 7.768 8.591 204 HA ALA 29 HA ALA 29 -8.377 6.777 5.937 205 1HB ALA 29 1HB ALA 29 -10.501 7.593 6.632 206 2HB ALA 29 2HB ALA 29 -9.815 9.143 7.176 207 3HB ALA 29 3HB ALA 29 -9.912 8.774 5.437 208 H GLY 30 H GLY 30 -6.419 8.921 7.663 209 1HA GLY 30 1HA GLY 30 -5.768 11.042 6.084 210 2HA GLY 30 2HA GLY 30 -4.542 10.058 6.916 211 H THR 31 H THR 31 -4.187 11.425 4.385 212 HA THR 31 HA THR 31 -3.503 9.060 2.745 213 HB THR 31 HB THR 31 -5.101 11.471 1.811 214 HG1 THR 31 1HG THR 31 -6.536 10.003 2.335 215 1HG2 THR 31 1HG2 THR 31 -3.853 9.227 0.167 216 2HG2 THR 31 2HG2 THR 31 -4.845 10.569 -0.452 217 3HG2 THR 31 3HG2 THR 31 -3.238 10.896 0.240 218 H MET 32 H MET 32 -1.377 9.167 2.361 219 HA MET 32 HA MET 32 -0.202 11.796 1.685 220 1HB MET 32 1HB MET 32 1.613 11.524 3.255 221 2HB MET 32 2HB MET 32 0.086 11.374 4.156 222 1HG MET 32 1HG MET 32 0.237 8.923 4.023 223 2HG MET 32 2HG MET 32 1.740 9.055 3.094 224 1HE MET 32 1HE MET 32 2.800 7.492 6.497 225 2HE MET 32 2HE MET 32 1.694 7.162 5.141 226 3HE MET 32 3HE MET 32 3.393 7.587 4.821 227 HA PRO 33 HA PRO 33 1.980 9.448 -1.309 228 1HB PRO 33 1HB PRO 33 4.283 10.871 -1.615 229 2HB PRO 33 2HB PRO 33 2.683 11.559 -2.044 230 1HG PRO 33 1HG PRO 33 4.203 11.924 0.554 231 2HG PRO 33 2HG PRO 33 3.514 13.207 -0.494 232 1HD PRO 33 1HD PRO 33 2.154 12.254 1.668 233 2HD PRO 33 2HD PRO 33 1.291 12.627 0.145 234 H VAL 34 H VAL 34 3.047 7.546 -1.163 235 HA VAL 34 HA VAL 34 5.204 7.315 0.876 236 HB VAL 34 HB VAL 34 4.378 5.167 1.552 237 1HG1 VAL 34 1HG1 VAL 34 3.059 7.494 2.076 238 2HG1 VAL 34 2HG1 VAL 34 1.738 6.537 1.366 239 3HG1 VAL 34 3HG1 VAL 34 2.609 5.928 2.793 240 1HG2 VAL 34 1HG2 VAL 34 1.884 5.001 0.117 241 2HG2 VAL 34 2HG2 VAL 34 3.208 5.194 -1.058 242 3HG2 VAL 34 3HG2 VAL 34 3.245 3.854 0.114 243 H ALA 35 H ALA 35 6.712 5.509 0.415 244 HA ALA 35 HA ALA 35 6.792 4.845 -2.488 245 1HB ALA 35 1HB ALA 35 9.242 5.159 -2.401 246 2HB ALA 35 2HB ALA 35 8.381 6.666 -2.006 247 3HB ALA 35 3HB ALA 35 9.112 5.693 -0.707 248 H ILE 36 H ILE 36 6.467 2.702 -2.610 249 HA ILE 36 HA ILE 36 8.010 0.982 -0.734 250 HB ILE 36 HB ILE 36 5.083 0.824 -1.508 251 1HG1 ILE 36 1HG1 ILE 36 5.891 0.189 1.230 252 2HG1 ILE 36 2HG1 ILE 36 6.475 1.795 0.732 253 1HG2 ILE 36 1HG2 ILE 36 5.336 -1.420 -1.659 254 2HG2 ILE 36 2HG2 ILE 36 7.021 -1.338 -1.090 255 3HG2 ILE 36 3HG2 ILE 36 5.686 -1.394 0.086 256 1HD1 ILE 36 1HD1 ILE 36 4.364 2.435 1.363 257 2HD1 ILE 36 2HD1 ILE 36 3.953 1.884 -0.279 258 3HD1 ILE 36 3HD1 ILE 36 3.685 0.808 1.114 259 H TYR 37 H TYR 37 9.503 0.014 -1.984 260 HA TYR 37 HA TYR 37 8.731 -0.742 -4.750 261 1HB TYR 37 1HB TYR 37 11.473 -0.666 -3.454 262 2HB TYR 37 2HB TYR 37 11.110 -0.874 -5.176 263 HD1 TYR 37 1HD TYR 37 10.864 1.541 -2.340 264 HD2 TYR 37 2HD TYR 37 10.849 0.988 -6.600 265 HE1 TYR 37 1HE TYR 37 10.969 3.999 -2.659 266 HE2 TYR 37 2HE TYR 37 10.954 3.445 -6.919 267 HH TYR 37 HH TYR 37 10.858 5.500 -5.891 268 H GLY 38 H GLY 38 8.780 -2.859 -5.440 269 1HA GLY 38 1HA GLY 38 9.001 -5.155 -5.315 270 2HA GLY 38 2HA GLY 38 9.975 -4.958 -3.840 271 H VAL 39 H VAL 39 6.573 -4.375 -4.913 272 HA VAL 39 HA VAL 39 5.582 -4.980 -2.237 273 HB VAL 39 HB VAL 39 4.120 -4.483 -4.861 274 1HG1 VAL 39 1HG1 VAL 39 2.719 -5.630 -3.216 275 2HG1 VAL 39 2HG1 VAL 39 3.220 -4.485 -1.948 276 3HG1 VAL 39 3HG1 VAL 39 2.229 -3.922 -3.315 277 1HG2 VAL 39 1HG2 VAL 39 3.951 -2.355 -2.918 278 2HG2 VAL 39 2HG2 VAL 39 5.665 -2.742 -3.207 279 3HG2 VAL 39 3HG2 VAL 39 4.610 -2.303 -4.571 280 H ASN 40 H ASN 40 5.200 -6.980 -1.506 281 HA ASN 40 HA ASN 40 4.913 -9.157 -3.505 282 1HB ASN 40 1HB ASN 40 5.373 -9.407 -0.518 283 2HB ASN 40 2HB ASN 40 5.629 -10.637 -1.775 284 1HD2 ASN 40 1HD2 ASN 40 7.354 -10.263 -3.375 285 2HD2 ASN 40 2HD2 ASN 40 8.758 -9.327 -2.911 286 H TRP 41 H TRP 41 3.425 -7.727 -0.572 287 HA TRP 41 HA TRP 41 0.796 -8.538 -1.484 288 1HB TRP 41 1HB TRP 41 1.436 -10.652 -0.558 289 2HB TRP 41 2HB TRP 41 2.104 -9.887 0.890 290 HD1 TRP 41 HD TRP 41 -0.060 -8.247 2.092 291 HE1 TRP 41 1HE TRP 41 -2.303 -9.162 2.879 292 HE3 TRP 41 3HE TRP 41 -0.224 -12.515 -0.727 293 HZ2 TRP 41 2HZ TRP 41 -3.974 -11.466 2.355 294 HZ3 TRP 41 3HZ TRP 41 -2.154 -14.043 -0.557 295 HH2 TRP 41 HH TRP 41 -4.033 -13.534 0.976 296 H VAL 42 H VAL 42 -0.880 -7.500 -0.302 297 HA VAL 42 HA VAL 42 0.065 -5.575 1.763 298 HB VAL 42 HB VAL 42 -1.622 -5.062 -0.706 299 1HG1 VAL 42 1HG1 VAL 42 -1.790 -2.707 0.429 300 2HG1 VAL 42 2HG1 VAL 42 -2.911 -3.990 0.947 301 3HG1 VAL 42 3HG1 VAL 42 -1.486 -3.599 1.939 302 1HG2 VAL 42 1HG2 VAL 42 1.015 -4.158 0.424 303 2HG2 VAL 42 2HG2 VAL 42 0.577 -4.557 -1.254 304 3HG2 VAL 42 3HG2 VAL 42 0.070 -3.004 -0.548 305 H GLU 43 H GLU 43 -1.445 -5.086 3.391 306 HA GLU 43 HA GLU 43 -3.702 -7.015 3.516 307 1HB GLU 43 1HB GLU 43 -2.199 -5.463 5.658 308 2HB GLU 43 2HB GLU 43 -3.625 -6.482 5.971 309 1HG GLU 43 1HG GLU 43 -1.735 -7.945 4.346 310 2HG GLU 43 2HG GLU 43 -0.902 -7.296 5.776 311 H SER 44 H SER 44 -5.757 -6.269 4.384 312 HA SER 44 HA SER 44 -6.222 -3.388 4.506 313 1HB SER 44 1HB SER 44 -7.791 -4.957 2.450 314 2HB SER 44 2HB SER 44 -7.631 -3.193 2.631 315 HG SER 44 HG SER 44 -5.594 -5.016 1.861 316 H GLY 45 H GLY 45 -6.777 -4.058 6.682 317 1HA GLY 45 1HA GLY 45 -8.587 -6.017 7.434 318 2HA GLY 45 2HA GLY 45 -8.396 -4.459 8.270 319 H ASN 46 H ASN 46 -10.773 -4.829 8.684 320 HA ASN 46 HA ASN 46 -12.643 -4.706 6.519 321 1HB ASN 46 1HB ASN 46 -13.264 -5.584 8.699 322 2HB ASN 46 2HB ASN 46 -12.883 -4.031 9.473 323 1HD2 ASN 46 1HD2 ASN 46 -14.645 -2.867 9.972 324 2HD2 ASN 46 2HD2 ASN 46 -16.128 -2.809 9.043 325 H ASN 47 H ASN 47 -10.977 -2.864 5.643 326 HA ASN 47 HA ASN 47 -12.542 -0.394 5.877 327 1HB ASN 47 1HB ASN 47 -10.269 0.854 6.156 328 2HB ASN 47 2HB ASN 47 -11.054 0.162 7.591 329 1HD2 ASN 47 1HD2 ASN 47 -8.641 -0.594 5.028 330 2HD2 ASN 47 2HD2 ASN 47 -7.621 -1.594 6.040 331 H VAL 48 H VAL 48 -12.468 0.829 4.013 332 HA VAL 48 HA VAL 48 -11.129 -0.466 1.730 333 HB VAL 48 HB VAL 48 -13.033 1.907 1.812 334 1HG1 VAL 48 1HG1 VAL 48 -12.757 1.971 -0.426 335 2HG1 VAL 48 2HG1 VAL 48 -11.417 0.814 -0.241 336 3HG1 VAL 48 3HG1 VAL 48 -13.065 0.222 -0.558 337 1HG2 VAL 48 1HG2 VAL 48 -13.577 -1.059 1.353 338 2HG2 VAL 48 2HG2 VAL 48 -14.044 -0.132 2.799 339 3HG2 VAL 48 3HG2 VAL 48 -14.772 0.253 1.221 340 H VAL 49 H VAL 49 -9.169 0.178 1.085 341 HA VAL 49 HA VAL 49 -8.475 3.051 1.384 342 HB VAL 49 HB VAL 49 -6.749 0.668 2.165 343 1HG1 VAL 49 1HG1 VAL 49 -4.930 2.086 2.304 344 2HG1 VAL 49 2HG1 VAL 49 -5.788 2.868 0.955 345 3HG1 VAL 49 3HG1 VAL 49 -5.937 3.522 2.604 346 1HG2 VAL 49 1HG2 VAL 49 -8.315 1.190 3.918 347 2HG2 VAL 49 2HG2 VAL 49 -6.766 1.934 4.381 348 3HG2 VAL 49 3HG2 VAL 49 -8.068 2.940 3.702 349 H THR 50 H THR 50 -7.375 3.904 -0.343 350 HA THR 50 HA THR 50 -7.037 2.082 -2.651 351 HB THR 50 HB THR 50 -7.335 5.070 -2.299 352 HG1 THR 50 1HG THR 50 -9.098 3.483 -2.606 353 1HG2 THR 50 1HG2 THR 50 -6.324 5.538 -4.284 354 2HG2 THR 50 2HG2 THR 50 -5.482 3.989 -4.039 355 3HG2 THR 50 3HG2 THR 50 -6.945 4.057 -5.052 356 H LEU 51 H LEU 51 -5.080 1.612 -3.530 357 HA LEU 51 HA LEU 51 -2.716 2.837 -2.195 358 1HB LEU 51 1HB LEU 51 -3.275 0.106 -3.366 359 2HB LEU 51 2HB LEU 51 -1.606 0.699 -3.188 360 HG LEU 51 HG LEU 51 -3.687 0.255 -1.020 361 1HD1 LEU 51 1HD1 LEU 51 -2.495 -1.643 -0.769 362 2HD1 LEU 51 2HD1 LEU 51 -1.343 -1.128 -2.024 363 3HD1 LEU 51 3HD1 LEU 51 -1.086 -0.649 -0.330 364 1HD2 LEU 51 1HD2 LEU 51 -1.261 2.045 -1.084 365 2HD2 LEU 51 2HD2 LEU 51 -2.842 2.310 -0.309 366 3HD2 LEU 51 3HD2 LEU 51 -1.669 1.188 0.422 367 H GLN 52 H GLN 52 -1.437 4.121 -3.388 368 HA GLN 52 HA GLN 52 -1.778 4.011 -6.346 369 1HB GLN 52 1HB GLN 52 -1.273 6.244 -4.383 370 2HB GLN 52 2HB GLN 52 -0.730 6.404 -6.070 371 1HG GLN 52 1HG GLN 52 -3.310 5.387 -6.319 372 2HG GLN 52 2HG GLN 52 -3.447 6.509 -4.948 373 1HE2 GLN 52 1HE2 GLN 52 -1.900 6.332 -8.211 374 2HE2 GLN 52 2HE2 GLN 52 -2.283 7.978 -8.668 375 H PHE 53 H PHE 53 -0.164 2.820 -7.202 376 HA PHE 53 HA PHE 53 2.600 3.513 -6.365 377 1HB PHE 53 1HB PHE 53 3.220 1.158 -6.407 378 2HB PHE 53 2HB PHE 53 1.939 1.437 -5.215 379 HD1 PHE 53 1HD PHE 53 -0.390 0.705 -5.688 380 HD2 PHE 53 2HD PHE 53 2.873 -0.252 -8.312 381 HE1 PHE 53 1HE PHE 53 -1.767 -1.060 -6.755 382 HE2 PHE 53 2HE PHE 53 1.497 -2.018 -9.380 383 HZ PHE 53 HZ PHE 53 -0.823 -2.421 -8.601 384 H GLN 54 H GLN 54 4.206 3.086 -8.016 385 HA GLN 54 HA GLN 54 3.007 3.222 -10.727 386 1HB GLN 54 1HB GLN 54 4.743 4.918 -9.582 387 2HB GLN 54 2HB GLN 54 5.911 3.734 -10.217 388 1HG GLN 54 1HG GLN 54 5.161 4.032 -12.454 389 2HG GLN 54 2HG GLN 54 3.675 4.855 -11.931 390 1HE2 GLN 54 1HE2 GLN 54 7.034 5.200 -12.766 391 2HE2 GLN 54 2HE2 GLN 54 7.152 6.930 -12.527 392 H ARG 55 H ARG 55 2.911 1.331 -11.781 393 HA ARG 55 HA ARG 55 4.193 -1.038 -11.047 394 1HB ARG 55 1HB ARG 55 2.265 -0.691 -12.679 395 2HB ARG 55 2HB ARG 55 3.489 -0.254 -13.895 396 1HG ARG 55 1HG ARG 55 4.266 -2.405 -14.081 397 2HG ARG 55 2HG ARG 55 3.995 -2.762 -12.358 398 1HD ARG 55 1HD ARG 55 1.509 -2.250 -13.857 399 2HD ARG 55 2HD ARG 55 2.417 -3.654 -14.460 400 HE ARG 55 HE ARG 55 2.222 -3.679 -11.582 401 1HH1 ARG 55 1HH1 ARG 55 -0.407 -6.031 -11.608 402 2HH1 ARG 55 2HH1 ARG 55 0.814 -5.246 -10.631 403 1HH2 ARG 55 1HH2 ARG 55 -0.614 -5.499 -13.857 404 2HH2 ARG 55 2HH2 ARG 55 0.452 -4.313 -14.577 405 H ASN 56 H ASN 56 5.139 1.228 -13.700 406 HA ASN 56 HA ASN 56 7.888 0.094 -13.494 407 1HB ASN 56 1HB ASN 56 6.475 1.445 -15.824 408 2HB ASN 56 2HB ASN 56 8.153 0.861 -15.834 409 1HD2 ASN 56 1HD2 ASN 56 5.483 0.083 -17.262 410 2HD2 ASN 56 2HD2 ASN 56 5.439 -1.659 -17.099 411 H LEU 57 H LEU 57 9.645 1.499 -13.369 412 HA LEU 57 HA LEU 57 9.000 4.144 -12.294 413 1HB LEU 57 1HB LEU 57 10.696 2.823 -11.172 414 2HB LEU 57 2HB LEU 57 11.605 2.623 -12.689 415 HG LEU 57 HG LEU 57 11.987 5.054 -12.800 416 1HD1 LEU 57 1HD1 LEU 57 11.180 5.744 -10.104 417 2HD1 LEU 57 2HD1 LEU 57 10.699 6.498 -11.643 418 3HD1 LEU 57 3HD1 LEU 57 9.783 5.111 -11.006 419 1HD2 LEU 57 1HD2 LEU 57 13.034 3.253 -10.849 420 2HD2 LEU 57 2HD2 LEU 57 13.820 4.692 -11.542 421 3HD2 LEU 57 3HD2 LEU 57 12.851 4.835 -10.055 422 H SER 58 H SER 58 11.101 2.845 -14.932 423 HA SER 58 HA SER 58 11.879 5.218 -16.101 424 1HB SER 58 1HB SER 58 12.619 2.974 -16.821 425 2HB SER 58 2HB SER 58 11.009 2.666 -17.515 426 HG SER 58 HG SER 58 11.761 4.973 -18.469 427 H ASP 59 H ASP 59 8.801 3.435 -16.627 428 HA ASP 59 HA ASP 59 7.792 5.793 -18.129 429 1HB ASP 59 1HB ASP 59 7.739 3.431 -19.113 430 2HB ASP 59 2HB ASP 59 6.514 3.054 -17.882 431 HA PRO 60 HA PRO 60 5.295 6.900 -14.676 432 1HB PRO 60 1HB PRO 60 3.455 8.481 -15.916 433 2HB PRO 60 2HB PRO 60 5.185 8.945 -15.814 434 1HG PRO 60 1HG PRO 60 3.789 7.553 -18.117 435 2HG PRO 60 2HG PRO 60 4.804 9.030 -18.193 436 1HD PRO 60 1HD PRO 60 5.840 6.565 -18.720 437 2HD PRO 60 2HD PRO 60 6.787 7.767 -17.792 438 H ARG 61 H ARG 61 4.874 4.267 -15.488 439 HA ARG 61 HA ARG 61 2.125 3.842 -16.285 440 1HB ARG 61 1HB ARG 61 4.530 2.285 -15.840 441 2HB ARG 61 2HB ARG 61 3.146 1.528 -15.014 442 1HG ARG 61 1HG ARG 61 1.929 2.135 -17.329 443 2HG ARG 61 2HG ARG 61 3.597 2.022 -17.940 444 1HD ARG 61 1HD ARG 61 3.712 -0.211 -16.626 445 2HD ARG 61 2HD ARG 61 1.940 -0.102 -16.549 446 HE ARG 61 HE ARG 61 3.530 -0.861 -18.827 447 1HH1 ARG 61 1HH1 ARG 61 0.800 -0.629 -21.048 448 2HH1 ARG 61 2HH1 ARG 61 2.422 -1.242 -20.819 449 1HH2 ARG 61 1HH2 ARG 61 -0.240 0.566 -19.353 450 2HH2 ARG 61 2HH2 ARG 61 0.599 0.854 -17.845 451 H LEU 62 H LEU 62 1.039 5.219 -14.710 452 HA LEU 62 HA LEU 62 1.223 4.556 -11.891 453 1HB LEU 62 1HB LEU 62 0.008 6.591 -13.583 454 2HB LEU 62 2HB LEU 62 -1.147 5.996 -12.367 455 HG LEU 62 HG LEU 62 0.539 7.951 -11.764 456 1HD1 LEU 62 1HD1 LEU 62 -0.982 6.150 -10.328 457 2HD1 LEU 62 2HD1 LEU 62 0.638 5.896 -9.637 458 3HD1 LEU 62 3HD1 LEU 62 -0.091 7.519 -9.621 459 1HD2 LEU 62 1HD2 LEU 62 2.246 5.648 -10.853 460 2HD2 LEU 62 2HD2 LEU 62 2.425 6.224 -12.528 461 3HD2 LEU 62 3HD2 LEU 62 2.698 7.340 -11.169 462 H GLU 63 H GLU 63 -0.124 3.282 -10.673 463 HA GLU 63 HA GLU 63 -2.424 2.020 -12.066 464 1HB GLU 63 1HB GLU 63 -0.315 0.553 -10.433 465 2HB GLU 63 2HB GLU 63 -1.771 -0.168 -11.160 466 1HG GLU 63 1HG GLU 63 0.292 1.338 -12.802 467 2HG GLU 63 2HG GLU 63 0.422 -0.406 -12.485 468 H THR 64 H THR 64 -4.211 1.721 -10.787 469 HA THR 64 HA THR 64 -3.906 2.547 -7.938 470 HB THR 64 HB THR 64 -6.431 3.125 -8.283 471 HG1 THR 64 1HG THR 64 -5.500 3.383 -10.943 472 1HG2 THR 64 1HG2 THR 64 -4.403 4.687 -8.001 473 2HG2 THR 64 2HG2 THR 64 -4.415 4.841 -9.774 474 3HG2 THR 64 3HG2 THR 64 -5.825 5.371 -8.826 475 H ILE 65 H ILE 65 -4.767 1.248 -6.370 476 HA ILE 65 HA ILE 65 -6.407 -1.064 -7.243 477 HB ILE 65 HB ILE 65 -3.935 -1.666 -7.067 478 1HG1 ILE 65 1HG1 ILE 65 -5.821 -3.006 -5.083 479 2HG1 ILE 65 2HG1 ILE 65 -5.827 -3.296 -6.839 480 1HG2 ILE 65 1HG2 ILE 65 -4.511 -1.224 -4.106 481 2HG2 ILE 65 2HG2 ILE 65 -3.006 -1.868 -4.806 482 3HG2 ILE 65 3HG2 ILE 65 -3.478 -0.179 -5.110 483 1HD1 ILE 65 1HD1 ILE 65 -3.987 -4.306 -4.769 484 2HD1 ILE 65 2HD1 ILE 65 -4.309 -4.926 -6.407 485 3HD1 ILE 65 3HD1 ILE 65 -3.146 -3.600 -6.170 486 H THR 66 H THR 66 -8.183 -1.239 -6.005 487 HA THR 66 HA THR 66 -8.188 0.224 -3.419 488 HB THR 66 HB THR 66 -10.356 -0.630 -5.359 489 HG1 THR 66 1HG THR 66 -10.240 1.398 -5.828 490 1HG2 THR 66 1HG2 THR 66 -11.765 0.661 -3.488 491 2HG2 THR 66 2HG2 THR 66 -11.487 -1.094 -3.389 492 3HG2 THR 66 3HG2 THR 66 -10.487 0.020 -2.428 493 H LEU 67 H LEU 67 -8.078 -0.920 -1.587 494 HA LEU 67 HA LEU 67 -8.521 -3.841 -1.736 495 1HB LEU 67 1HB LEU 67 -7.403 -2.160 0.538 496 2HB LEU 67 2HB LEU 67 -7.312 -3.928 0.355 497 HG LEU 67 HG LEU 67 -6.244 -2.238 -1.883 498 1HD1 LEU 67 1HD1 LEU 67 -5.465 -1.658 0.723 499 2HD1 LEU 67 2HD1 LEU 67 -4.248 -2.846 0.197 500 3HD1 LEU 67 3HD1 LEU 67 -4.496 -1.353 -0.739 501 1HD2 LEU 67 1HD2 LEU 67 -6.327 -4.941 -1.264 502 2HD2 LEU 67 2HD2 LEU 67 -5.219 -4.187 -2.436 503 3HD2 LEU 67 3HD2 LEU 67 -4.683 -4.478 -0.764 504 H GLN 68 H GLN 68 -10.342 -4.751 -0.991 505 HA GLN 68 HA GLN 68 -12.335 -3.048 0.311 506 1HB GLN 68 1HB GLN 68 -12.336 -5.953 -0.592 507 2HB GLN 68 2HB GLN 68 -13.740 -5.119 0.116 508 1HG GLN 68 1HG GLN 68 -12.294 -4.477 -2.478 509 2HG GLN 68 2HG GLN 68 -13.990 -4.961 -2.263 510 1HE2 GLN 68 1HE2 GLN 68 -15.445 -3.459 -1.116 511 2HE2 GLN 68 2HE2 GLN 68 -15.139 -1.738 -1.214 512 H LYS 69 H LYS 69 -13.656 -4.466 2.092 513 HA LYS 69 HA LYS 69 -12.086 -4.387 4.423 514 1HB LYS 69 1HB LYS 69 -14.571 -6.080 3.987 515 2HB LYS 69 2HB LYS 69 -13.986 -5.379 5.515 516 1HG LYS 69 1HG LYS 69 -14.945 -3.378 5.068 517 2HG LYS 69 2HG LYS 69 -14.293 -3.356 3.412 518 1HD LYS 69 1HD LYS 69 -16.397 -5.372 3.741 519 2HD LYS 69 2HD LYS 69 -16.973 -3.733 4.129 520 1HE LYS 69 1HE LYS 69 -17.296 -3.725 1.840 521 2HE LYS 69 2HE LYS 69 -15.629 -3.115 1.912 522 1HZ LYS 69 1HZ LYS 69 -15.159 -5.665 1.828 523 2HZ LYS 69 2HZ LYS 69 -16.612 -5.684 1.048 524 3HZ LYS 69 3HZ LYS 69 -15.371 -4.771 0.459 525 H TRP 70 H TRP 70 -10.615 -5.736 5.281 526 HA TRP 70 HA TRP 70 -9.324 -7.598 5.599 527 1HB TRP 70 1HB TRP 70 -11.702 -9.177 4.596 528 2HB TRP 70 2HB TRP 70 -10.416 -9.723 5.681 529 HD1 TRP 70 HD TRP 70 -13.860 -8.588 5.736 530 HE1 TRP 70 1HE TRP 70 -14.632 -7.901 8.064 531 HE3 TRP 70 3HE TRP 70 -9.299 -8.272 8.038 532 HZ2 TRP 70 2HZ TRP 70 -13.425 -7.285 10.621 533 HZ3 TRP 70 3HZ TRP 70 -9.151 -7.633 10.416 534 HH2 TRP 70 HH TRP 70 -11.199 -7.137 11.719 535 H GLY 71 H GLY 71 -9.403 -6.202 2.975 536 1HA GLY 71 1HA GLY 71 -8.992 -8.363 1.023 537 2HA GLY 71 2HA GLY 71 -8.930 -6.613 0.716 538 H SER 72 H SER 72 -6.996 -8.659 -0.123 539 HA SER 72 HA SER 72 -4.606 -7.465 1.166 540 1HB SER 72 1HB SER 72 -4.447 -10.347 0.428 541 2HB SER 72 2HB SER 72 -3.700 -9.469 1.785 542 HG SER 72 HG SER 72 -5.382 -9.882 2.975 543 H TRP 73 H TRP 73 -2.654 -7.671 -0.186 544 HA TRP 73 HA TRP 73 -3.330 -8.070 -3.061 545 1HB TRP 73 1HB TRP 73 -3.174 -5.658 -2.343 546 2HB TRP 73 2HB TRP 73 -1.482 -5.956 -1.918 547 HD1 TRP 73 HD TRP 73 -2.963 -7.479 -5.075 548 HE1 TRP 73 1HE TRP 73 -1.893 -6.434 -7.137 549 HE3 TRP 73 3HE TRP 73 -0.293 -3.752 -2.799 550 HZ2 TRP 73 2HZ TRP 73 -0.095 -4.248 -7.737 551 HZ3 TRP 73 3HZ TRP 73 1.084 -2.211 -4.147 552 HH2 TRP 73 HH TRP 73 1.195 -2.444 -6.610 553 H ASN 74 H ASN 74 -1.961 -9.371 -4.159 554 HA ASN 74 HA ASN 74 0.742 -9.837 -3.046 555 1HB ASN 74 1HB ASN 74 0.383 -12.310 -3.428 556 2HB ASN 74 2HB ASN 74 -0.522 -11.622 -2.062 557 1HD2 ASN 74 1HD2 ASN 74 -0.810 -13.798 -4.474 558 2HD2 ASN 74 2HD2 ASN 74 -2.517 -13.662 -4.837 559 HA PRO 75 HA PRO 75 0.603 -9.262 -7.642 560 1HB PRO 75 1HB PRO 75 2.530 -7.341 -7.789 561 2HB PRO 75 2HB PRO 75 0.845 -6.955 -7.312 562 1HG PRO 75 1HG PRO 75 3.197 -7.494 -5.476 563 2HG PRO 75 2HG PRO 75 2.087 -6.085 -5.438 564 1HD PRO 75 1HD PRO 75 1.694 -8.249 -3.827 565 2HD PRO 75 2HD PRO 75 0.304 -7.430 -4.601 566 H GLY 76 H GLY 76 3.849 -8.394 -6.516 567 1HA GLY 76 1HA GLY 76 5.163 -10.769 -6.228 568 2HA GLY 76 2HA GLY 76 4.983 -10.632 -7.992 569 H HIS 77 H HIS 77 5.906 -8.580 -5.165 570 HA HIS 77 HA HIS 77 7.672 -7.153 -4.870 571 1HB HIS 77 1HB HIS 77 9.036 -9.051 -5.649 572 2HB HIS 77 2HB HIS 77 8.778 -8.551 -7.331 573 HD1 HIS 77 1HD HIS 77 9.426 -5.512 -7.221 574 HD2 HIS 77 2HD HIS 77 11.527 -8.517 -5.135 575 HE1 HIS 77 1HE HIS 77 11.758 -4.559 -6.712 576 HE2 HIS 77 2HE HIS 77 13.025 -6.394 -5.446 577 H ILE 78 H ILE 78 6.625 -5.218 -5.221 578 HA ILE 78 HA ILE 78 6.291 -4.283 -8.000 579 HB ILE 78 HB ILE 78 5.481 -3.017 -5.353 580 1HG1 ILE 78 1HG1 ILE 78 4.496 -5.349 -6.326 581 2HG1 ILE 78 2HG1 ILE 78 3.490 -4.157 -5.469 582 1HG2 ILE 78 1HG2 ILE 78 5.600 -1.326 -7.045 583 2HG2 ILE 78 2HG2 ILE 78 4.901 -2.408 -8.274 584 3HG2 ILE 78 3HG2 ILE 78 3.885 -1.794 -6.947 585 1HD1 ILE 78 1HD1 ILE 78 2.715 -3.203 -7.543 586 2HD1 ILE 78 2HD1 ILE 78 3.903 -4.137 -8.484 587 3HD1 ILE 78 3HD1 ILE 78 2.545 -4.968 -7.689 588 H HIS 79 H HIS 79 7.180 -2.288 -8.738 589 HA HIS 79 HA HIS 79 9.876 -1.867 -8.177 590 1HB HIS 79 1HB HIS 79 9.085 -0.954 -10.172 591 2HB HIS 79 2HB HIS 79 7.688 -0.193 -9.389 592 HD1 HIS 79 1HD HIS 79 11.496 0.247 -8.692 593 HD2 HIS 79 2HD HIS 79 7.971 2.372 -9.618 594 HE1 HIS 79 1HE HIS 79 12.120 2.741 -8.689 595 HE2 HIS 79 2HE HIS 79 9.970 4.021 -9.252 596 H GLU 80 H GLU 80 7.406 0.624 -7.375 597 HA GLU 80 HA GLU 80 8.254 0.729 -4.597 598 1HB GLU 80 1HB GLU 80 10.100 1.924 -5.815 599 2HB GLU 80 2HB GLU 80 8.891 3.089 -6.406 600 1HG GLU 80 1HG GLU 80 8.280 3.138 -3.778 601 2HG GLU 80 2HG GLU 80 9.999 2.705 -3.654 602 H ILE 81 H ILE 81 6.857 2.012 -3.322 603 HA ILE 81 HA ILE 81 4.247 2.444 -4.549 604 HB ILE 81 HB ILE 81 5.323 2.806 -1.727 605 1HG1 ILE 81 1HG1 ILE 81 5.160 0.470 -2.631 606 2HG1 ILE 81 2HG1 ILE 81 4.049 0.771 -1.272 607 1HG2 ILE 81 1HG2 ILE 81 2.983 3.104 -1.060 608 2HG2 ILE 81 2HG2 ILE 81 3.429 4.353 -2.248 609 3HG2 ILE 81 3HG2 ILE 81 2.456 2.951 -2.754 610 1HD1 ILE 81 1HD1 ILE 81 2.299 0.214 -2.577 611 2HD1 ILE 81 2HD1 ILE 81 2.717 1.530 -3.701 612 3HD1 ILE 81 3HD1 ILE 81 3.410 -0.093 -3.933 613 H LEU 82 H LEU 82 3.274 4.381 -5.004 614 HA LEU 82 HA LEU 82 5.049 6.724 -5.059 615 1HB LEU 82 1HB LEU 82 2.216 6.319 -6.097 616 2HB LEU 82 2HB LEU 82 3.274 7.709 -6.440 617 HG LEU 82 HG LEU 82 3.448 4.876 -7.434 618 1HD1 LEU 82 1HD1 LEU 82 2.562 6.730 -8.837 619 2HD1 LEU 82 2HD1 LEU 82 4.103 7.599 -8.638 620 3HD1 LEU 82 3HD1 LEU 82 4.062 6.049 -9.512 621 1HD2 LEU 82 1HD2 LEU 82 5.837 5.156 -7.934 622 2HD2 LEU 82 2HD2 LEU 82 5.837 6.746 -7.133 623 3HD2 LEU 82 3HD2 LEU 82 5.569 5.268 -6.178 624 H SER 83 H SER 83 1.590 6.220 -4.149 625 HA SER 83 HA SER 83 2.081 7.721 -1.656 626 1HB SER 83 1HB SER 83 1.419 9.307 -3.577 627 2HB SER 83 2HB SER 83 -0.175 8.517 -3.516 628 HG SER 83 HG SER 83 0.870 9.271 -1.076 629 H ILE 84 H ILE 84 -0.020 7.741 -0.314 630 HA ILE 84 HA ILE 84 -1.596 5.274 -0.845 631 HB ILE 84 HB ILE 84 -0.147 6.105 1.686 632 1HG1 ILE 84 1HG1 ILE 84 -0.339 3.414 0.282 633 2HG1 ILE 84 2HG1 ILE 84 0.918 4.615 -0.101 634 1HG2 ILE 84 1HG2 ILE 84 -2.326 3.993 1.391 635 2HG2 ILE 84 2HG2 ILE 84 -1.421 4.389 2.872 636 3HG2 ILE 84 3HG2 ILE 84 -2.550 5.576 2.175 637 1HD1 ILE 84 1HD1 ILE 84 1.100 4.580 2.617 638 2HD1 ILE 84 2HD1 ILE 84 0.583 2.903 2.316 639 3HD1 ILE 84 3HD1 ILE 84 2.067 3.528 1.556 640 H ARG 85 H ARG 85 -3.746 5.589 -0.698 641 HA ARG 85 HA ARG 85 -4.668 8.043 0.723 642 1HB ARG 85 1HB ARG 85 -4.899 8.408 -1.652 643 2HB ARG 85 2HB ARG 85 -5.632 6.802 -1.879 644 1HG ARG 85 1HG ARG 85 -7.539 7.484 -0.437 645 2HG ARG 85 2HG ARG 85 -6.811 9.098 -0.255 646 1HD ARG 85 1HD ARG 85 -6.957 8.308 -3.061 647 2HD ARG 85 2HD ARG 85 -8.559 8.250 -2.293 648 HE ARG 85 HE ARG 85 -7.078 10.603 -2.997 649 1HH1 ARG 85 1HH1 ARG 85 -9.089 12.733 -1.032 650 2HH1 ARG 85 2HH1 ARG 85 -7.915 12.650 -2.326 651 1HH2 ARG 85 1HH2 ARG 85 -9.809 10.788 0.009 652 2HH2 ARG 85 2HH2 ARG 85 -9.176 9.238 -0.499 653 H ILE 86 H ILE 86 -6.164 7.724 2.275 654 HA ILE 86 HA ILE 86 -7.439 5.030 2.389 655 HB ILE 86 HB ILE 86 -6.764 6.921 4.676 656 1HG1 ILE 86 1HG1 ILE 86 -5.449 4.251 4.205 657 2HG1 ILE 86 2HG1 ILE 86 -4.878 5.666 3.287 658 1HG2 ILE 86 1HG2 ILE 86 -8.034 5.556 5.944 659 2HG2 ILE 86 2HG2 ILE 86 -8.576 4.744 4.456 660 3HG2 ILE 86 3HG2 ILE 86 -7.161 4.126 5.341 661 1HD1 ILE 86 1HD1 ILE 86 -3.577 5.473 5.345 662 2HD1 ILE 86 2HD1 ILE 86 -4.625 6.907 5.453 663 3HD1 ILE 86 3HD1 ILE 86 -5.066 5.415 6.318 664 H TYR 87 H TYR 87 -9.639 4.921 2.588 665 HA TYR 87 HA TYR 87 -11.104 7.414 2.132 666 1HB TYR 87 1HB TYR 87 -11.819 4.476 2.216 667 2HB TYR 87 2HB TYR 87 -13.057 5.738 2.105 668 HD1 TYR 87 1HD TYR 87 -13.917 5.880 -0.034 669 HD2 TYR 87 2HD TYR 87 -9.703 5.227 0.477 670 HE1 TYR 87 1HE TYR 87 -13.605 5.972 -2.493 671 HE2 TYR 87 2HE TYR 87 -9.390 5.319 -1.982 672 HH TYR 87 HH TYR 87 -11.089 4.849 -4.131 Start of MODEL 2 1 H MET 1 H MET 1 -2.826 12.301 6.313 2 HA MET 1 HA MET 1 -2.454 13.034 9.056 3 1HB MET 1 1HB MET 1 -5.224 12.902 7.982 4 2HB MET 1 2HB MET 1 -4.935 12.006 9.492 5 1HG MET 1 1HG MET 1 -4.090 13.965 10.589 6 2HG MET 1 2HG MET 1 -4.044 14.874 9.069 7 1HE MET 1 1HE MET 1 -4.901 16.195 11.338 8 2HE MET 1 2HE MET 1 -5.658 17.088 9.997 9 3HE MET 1 3HE MET 1 -6.623 16.637 11.424 10 H ILE 2 H ILE 2 -1.368 11.197 7.112 11 HA ILE 2 HA ILE 2 -2.247 8.589 8.256 12 HB ILE 2 HB ILE 2 -2.540 8.433 5.935 13 1HG1 ILE 2 1HG1 ILE 2 0.372 7.626 6.325 14 2HG1 ILE 2 2HG1 ILE 2 -1.014 6.663 6.891 15 1HG2 ILE 2 1HG2 ILE 2 -1.506 10.641 5.426 16 2HG2 ILE 2 2HG2 ILE 2 0.107 9.911 5.607 17 3HG2 ILE 2 3HG2 ILE 2 -0.969 9.378 4.293 18 1HD1 ILE 2 1HD1 ILE 2 -0.156 7.291 4.060 19 2HD1 ILE 2 2HD1 ILE 2 -0.567 5.719 4.786 20 3HD1 ILE 2 3HD1 ILE 2 -1.854 6.892 4.414 21 H ASN 3 H ASN 3 -0.748 7.264 9.237 22 HA ASN 3 HA ASN 3 2.079 8.149 9.229 23 1HB ASN 3 1HB ASN 3 0.182 8.168 11.515 24 2HB ASN 3 2HB ASN 3 1.765 7.428 11.836 25 1HD2 ASN 3 1HD2 ASN 3 2.916 8.927 12.949 26 2HD2 ASN 3 2HD2 ASN 3 3.151 10.587 12.445 27 H ARG 4 H ARG 4 3.553 6.476 9.443 28 HA ARG 4 HA ARG 4 2.541 3.832 8.846 29 1HB ARG 4 1HB ARG 4 5.044 3.280 9.069 30 2HB ARG 4 2HB ARG 4 4.586 4.448 7.806 31 1HG ARG 4 1HG ARG 4 5.384 6.286 9.037 32 2HG ARG 4 2HG ARG 4 5.312 5.405 10.582 33 1HD ARG 4 1HD ARG 4 7.121 3.873 9.677 34 2HD ARG 4 2HD ARG 4 7.277 4.983 8.298 35 HE ARG 4 HE ARG 4 8.476 6.418 9.645 36 1HH1 ARG 4 1HH1 ARG 4 8.823 6.478 13.154 37 2HH1 ARG 4 2HH1 ARG 4 9.362 7.172 11.642 38 1HH2 ARG 4 1HH2 ARG 4 7.219 4.801 13.156 39 2HH2 ARG 4 2HH2 ARG 4 6.549 4.230 11.644 40 H THR 5 H THR 5 1.565 2.667 10.411 41 HA THR 5 HA THR 5 2.656 2.836 13.164 42 HB THR 5 HB THR 5 0.245 3.237 12.886 43 HG1 THR 5 1HG THR 5 0.865 2.177 14.753 44 1HG2 THR 5 1HG2 THR 5 -0.529 2.118 11.018 45 2HG2 THR 5 2HG2 THR 5 0.485 0.688 11.324 46 3HG2 THR 5 3HG2 THR 5 -1.004 0.940 12.266 47 H ASP 6 H ASP 6 3.113 0.906 14.357 48 HA ASP 6 HA ASP 6 4.181 -1.221 12.627 49 1HB ASP 6 1HB ASP 6 4.484 -0.402 15.515 50 2HB ASP 6 2HB ASP 6 4.973 -2.027 14.988 51 H CYS 7 H CYS 7 1.255 -0.866 12.921 52 HA CYS 7 HA CYS 7 -0.615 -2.128 13.312 53 1HB CYS 7 1HB CYS 7 0.561 -4.728 13.606 54 2HB CYS 7 2HB CYS 7 -0.345 -4.061 12.238 55 H ASN 8 H ASN 8 -1.416 -1.600 15.295 56 HA ASN 8 HA ASN 8 -0.684 -3.403 17.515 57 1HB ASN 8 1HB ASN 8 -0.925 -0.478 18.126 58 2HB ASN 8 2HB ASN 8 -0.023 -1.748 18.981 59 1HD2 ASN 8 1HD2 ASN 8 -0.105 -0.103 15.764 60 2HD2 ASN 8 2HD2 ASN 8 1.633 -0.008 15.581 61 H GLU 9 H GLU 9 -2.886 -4.034 16.439 62 HA GLU 9 HA GLU 9 -4.936 -3.554 18.260 63 1HB GLU 9 1HB GLU 9 -4.688 -1.464 16.155 64 2HB GLU 9 2HB GLU 9 -6.324 -2.110 16.429 65 1HG GLU 9 1HG GLU 9 -5.136 -1.736 18.992 66 2HG GLU 9 2HG GLU 9 -4.807 -0.264 18.052 67 H ASN 10 H ASN 10 -5.851 -3.079 14.912 68 HA ASN 10 HA ASN 10 -5.748 -5.676 13.901 69 1HB ASN 10 1HB ASN 10 -7.305 -5.810 16.106 70 2HB ASN 10 2HB ASN 10 -8.535 -5.349 14.909 71 1HD2 ASN 10 1HD2 ASN 10 -9.575 -7.055 14.062 72 2HD2 ASN 10 2HD2 ASN 10 -8.864 -8.618 13.722 73 H SER 11 H SER 11 -7.539 -6.019 12.169 74 HA SER 11 HA SER 11 -8.193 -5.140 10.127 75 1HB SER 11 1HB SER 11 -10.346 -4.818 10.689 76 2HB SER 11 2HB SER 11 -9.896 -4.274 12.323 77 HG SER 11 HG SER 11 -9.972 -2.261 11.687 78 H TYR 12 H TYR 12 -6.320 -4.194 9.274 79 HA TYR 12 HA TYR 12 -6.444 -1.307 9.022 80 1HB TYR 12 1HB TYR 12 -4.519 -2.633 10.862 81 2HB TYR 12 2HB TYR 12 -3.847 -1.403 9.778 82 HD1 TYR 12 1HD TYR 12 -6.061 0.543 9.605 83 HD2 TYR 12 2HD TYR 12 -4.547 -1.644 12.978 84 HE1 TYR 12 1HE TYR 12 -6.874 2.325 11.125 85 HE2 TYR 12 2HE TYR 12 -5.360 0.138 14.498 86 HH TYR 12 HH TYR 12 -6.575 2.078 14.673 87 H LEU 13 H LEU 13 -4.561 -0.537 7.600 88 HA LEU 13 HA LEU 13 -4.244 -2.523 5.453 89 1HB LEU 13 1HB LEU 13 -4.924 -0.450 4.603 90 2HB LEU 13 2HB LEU 13 -3.891 0.463 5.729 91 HG LEU 13 HG LEU 13 -1.976 -0.938 4.437 92 1HD1 LEU 13 1HD1 LEU 13 -4.353 -0.732 2.563 93 2HD1 LEU 13 2HD1 LEU 13 -2.684 -0.774 1.947 94 3HD1 LEU 13 3HD1 LEU 13 -3.318 -2.142 2.893 95 1HD2 LEU 13 1HD2 LEU 13 -2.560 1.249 2.704 96 2HD2 LEU 13 2HD2 LEU 13 -3.108 1.720 4.331 97 3HD2 LEU 13 3HD2 LEU 13 -1.421 1.215 4.071 98 H GLU 14 H GLU 14 -2.346 -3.484 4.886 99 HA GLU 14 HA GLU 14 0.153 -2.484 6.114 100 1HB GLU 14 1HB GLU 14 -0.617 -5.416 6.223 101 2HB GLU 14 2HB GLU 14 0.736 -4.599 7.041 102 1HG GLU 14 1HG GLU 14 -0.826 -3.328 8.431 103 2HG GLU 14 2HG GLU 14 -2.210 -4.027 7.562 104 H ILE 15 H ILE 15 1.984 -2.881 4.880 105 HA ILE 15 HA ILE 15 1.575 -4.423 2.370 106 HB ILE 15 HB ILE 15 2.946 -1.715 2.599 107 1HG1 ILE 15 1HG1 ILE 15 0.405 -2.315 1.069 108 2HG1 ILE 15 2HG1 ILE 15 0.339 -1.891 2.796 109 1HG2 ILE 15 1HG2 ILE 15 3.820 -2.206 0.581 110 2HG2 ILE 15 2HG2 ILE 15 3.131 -3.843 0.699 111 3HG2 ILE 15 3HG2 ILE 15 2.193 -2.535 -0.061 112 1HD1 ILE 15 1HD1 ILE 15 2.050 0.031 1.871 113 2HD1 ILE 15 2HD1 ILE 15 1.015 -0.201 0.443 114 3HD1 ILE 15 3HD1 ILE 15 0.289 0.253 2.004 115 H HIS 16 H HIS 16 3.065 -5.983 2.211 116 HA HIS 16 HA HIS 16 5.679 -5.537 3.577 117 1HB HIS 16 1HB HIS 16 5.752 -7.930 3.980 118 2HB HIS 16 2HB HIS 16 4.252 -7.259 4.648 119 HD1 HIS 16 1HD HIS 16 5.488 -9.689 1.999 120 HD2 HIS 16 2HD HIS 16 1.926 -7.879 3.355 121 HE1 HIS 16 1HE HIS 16 3.548 -10.992 0.929 122 HE2 HIS 16 2HE HIS 16 1.391 -9.883 1.759 123 H ASN 17 H ASN 17 7.031 -4.922 1.956 124 HA ASN 17 HA ASN 17 6.869 -6.388 -0.618 125 1HB ASN 17 1HB ASN 17 8.435 -4.555 -1.370 126 2HB ASN 17 2HB ASN 17 6.826 -4.000 -0.860 127 1HD2 ASN 17 1HD2 ASN 17 8.557 -2.024 -0.865 128 2HD2 ASN 17 2HD2 ASN 17 9.166 -1.645 0.731 129 H ASN 18 H ASN 18 9.366 -6.287 -1.590 130 HA ASN 18 HA ASN 18 11.380 -7.373 -1.546 131 1HB ASN 18 1HB ASN 18 11.189 -6.523 1.363 132 2HB ASN 18 2HB ASN 18 12.632 -7.281 0.656 133 1HD2 ASN 18 1HD2 ASN 18 11.394 -4.366 1.524 134 2HD2 ASN 18 2HD2 ASN 18 12.180 -3.326 0.355 135 H GLU 19 H GLU 19 8.919 -8.899 -1.252 136 HA GLU 19 HA GLU 19 8.352 -11.096 -0.928 137 1HB GLU 19 1HB GLU 19 11.259 -11.382 -0.070 138 2HB GLU 19 2HB GLU 19 10.142 -12.724 -0.418 139 1HG GLU 19 1HG GLU 19 9.870 -11.937 -2.724 140 2HG GLU 19 2HG GLU 19 10.904 -10.531 -2.390 141 H GLY 20 H GLY 20 8.540 -8.893 1.271 142 1HA GLY 20 1HA GLY 20 7.366 -9.015 3.333 143 2HA GLY 20 2HA GLY 20 7.790 -10.737 3.465 144 H ARG 21 H ARG 21 9.873 -7.897 2.751 145 HA ARG 21 HA ARG 21 11.637 -8.751 4.970 146 1HB ARG 21 1HB ARG 21 12.311 -8.211 2.460 147 2HB ARG 21 2HB ARG 21 12.295 -6.533 3.052 148 1HG ARG 21 1HG ARG 21 13.856 -8.842 4.289 149 2HG ARG 21 2HG ARG 21 14.545 -7.537 3.293 150 1HD ARG 21 1HD ARG 21 13.344 -5.974 5.058 151 2HD ARG 21 2HD ARG 21 13.413 -7.422 6.085 152 HE ARG 21 HE ARG 21 15.978 -7.015 4.944 153 1HH1 ARG 21 1HH1 ARG 21 17.221 -5.077 7.616 154 2HH1 ARG 21 2HH1 ARG 21 17.641 -6.038 6.217 155 1HH2 ARG 21 1HH2 ARG 21 14.993 -4.782 8.195 156 2HH2 ARG 21 2HH2 ARG 21 13.734 -5.522 7.232 157 H ASP 22 H ASP 22 9.944 -5.858 3.666 158 HA ASP 22 HA ASP 22 10.099 -4.702 6.409 159 1HB ASP 22 1HB ASP 22 10.514 -3.404 3.703 160 2HB ASP 22 2HB ASP 22 10.075 -2.462 5.144 161 H THR 23 H THR 23 8.117 -4.593 7.277 162 HA THR 23 HA THR 23 5.799 -4.424 5.429 163 HB THR 23 HB THR 23 5.939 -5.161 8.379 164 HG1 THR 23 1HG THR 23 5.909 -6.639 5.973 165 1HG2 THR 23 1HG2 THR 23 3.644 -5.624 8.248 166 2HG2 THR 23 2HG2 THR 23 3.780 -4.153 7.254 167 3HG2 THR 23 3HG2 THR 23 3.670 -5.749 6.472 168 H LEU 24 H LEU 24 4.168 -2.864 5.741 169 HA LEU 24 HA LEU 24 4.800 -0.699 7.673 170 1HB LEU 24 1HB LEU 24 3.878 -0.093 4.859 171 2HB LEU 24 2HB LEU 24 4.655 0.986 6.042 172 HG LEU 24 HG LEU 24 6.403 -1.246 5.593 173 1HD1 LEU 24 1HD1 LEU 24 4.936 -0.269 3.200 174 2HD1 LEU 24 2HD1 LEU 24 6.708 -0.304 3.038 175 3HD1 LEU 24 3HD1 LEU 24 5.823 -1.792 3.452 176 1HD2 LEU 24 1HD2 LEU 24 6.363 1.721 5.339 177 2HD2 LEU 24 2HD2 LEU 24 7.553 0.659 6.129 178 3HD2 LEU 24 3HD2 LEU 24 7.592 0.881 4.364 179 H CYS 25 H CYS 25 3.091 -0.680 9.010 180 HA CYS 25 HA CYS 25 0.417 -1.299 7.889 181 1HB CYS 25 1HB CYS 25 1.202 -0.953 10.791 182 2HB CYS 25 2HB CYS 25 -0.246 -1.736 10.137 183 H PHE 26 H PHE 26 -0.868 0.356 7.344 184 HA PHE 26 HA PHE 26 -0.364 2.982 8.653 185 1HB PHE 26 1HB PHE 26 -1.659 2.250 6.006 186 2HB PHE 26 2HB PHE 26 -1.572 3.893 6.663 187 HD1 PHE 26 1HD PHE 26 0.208 1.243 4.918 188 HD2 PHE 26 2HD PHE 26 0.656 5.002 6.948 189 HE1 PHE 26 1HE PHE 26 2.443 1.535 3.884 190 HE2 PHE 26 2HE PHE 26 2.891 5.294 5.914 191 HZ PHE 26 HZ PHE 26 3.785 3.561 4.382 192 H ALA 27 H ALA 27 -2.188 4.255 9.311 193 HA ALA 27 HA ALA 27 -4.754 2.783 9.517 194 1HB ALA 27 1HB ALA 27 -4.889 3.570 11.921 195 2HB ALA 27 2HB ALA 27 -3.677 2.302 11.616 196 3HB ALA 27 3HB ALA 27 -3.164 3.995 11.807 197 H ASN 28 H ASN 28 -6.427 4.403 10.590 198 HA ASN 28 HA ASN 28 -7.590 6.364 10.387 199 1HB ASN 28 1HB ASN 28 -4.738 7.334 10.239 200 2HB ASN 28 2HB ASN 28 -6.081 8.464 9.963 201 1HD2 ASN 28 1HD2 ASN 28 -6.677 9.563 11.736 202 2HD2 ASN 28 2HD2 ASN 28 -6.628 8.956 13.378 203 H ALA 29 H ALA 29 -8.633 7.559 8.772 204 HA ALA 29 HA ALA 29 -8.364 6.559 6.122 205 1HB ALA 29 1HB ALA 29 -10.053 8.221 5.564 206 2HB ALA 29 2HB ALA 29 -10.451 7.491 7.138 207 3HB ALA 29 3HB ALA 29 -9.720 9.113 7.068 208 H GLY 30 H GLY 30 -6.398 8.689 7.835 209 1HA GLY 30 1HA GLY 30 -5.763 10.823 6.261 210 2HA GLY 30 2HA GLY 30 -4.531 9.839 7.085 211 H THR 31 H THR 31 -4.267 11.229 4.520 212 HA THR 31 HA THR 31 -3.557 8.864 2.882 213 HB THR 31 HB THR 31 -5.182 11.268 1.979 214 HG1 THR 31 1HG THR 31 -6.705 9.857 2.130 215 1HG2 THR 31 1HG2 THR 31 -3.950 9.057 0.281 216 2HG2 THR 31 2HG2 THR 31 -4.910 10.442 -0.295 217 3HG2 THR 31 3HG2 THR 31 -3.295 10.708 0.406 218 H MET 32 H MET 32 -1.437 8.979 2.474 219 HA MET 32 HA MET 32 -0.275 11.614 1.800 220 1HB MET 32 1HB MET 32 1.452 11.475 3.401 221 2HB MET 32 2HB MET 32 -0.008 11.014 4.308 222 1HG MET 32 1HG MET 32 0.535 8.604 3.753 223 2HG MET 32 2HG MET 32 2.085 9.170 3.109 224 1HE MET 32 1HE MET 32 2.507 7.206 6.594 225 2HE MET 32 2HE MET 32 1.591 6.959 5.088 226 3HE MET 32 3HE MET 32 3.331 7.329 5.021 227 HA PRO 33 HA PRO 33 1.881 9.284 -1.228 228 1HB PRO 33 1HB PRO 33 4.173 10.721 -1.556 229 2HB PRO 33 2HB PRO 33 2.564 11.401 -1.965 230 1HG PRO 33 1HG PRO 33 4.112 11.767 0.616 231 2HG PRO 33 2HG PRO 33 3.404 13.049 -0.420 232 1HD PRO 33 1HD PRO 33 2.075 12.083 1.755 233 2HD PRO 33 2HD PRO 33 1.192 12.455 0.243 234 H VAL 34 H VAL 34 3.006 7.407 -1.139 235 HA VAL 34 HA VAL 34 5.181 7.178 0.876 236 HB VAL 34 HB VAL 34 4.375 5.035 1.584 237 1HG1 VAL 34 1HG1 VAL 34 3.036 7.374 2.086 238 2HG1 VAL 34 2HG1 VAL 34 1.716 6.357 1.462 239 3HG1 VAL 34 3HG1 VAL 34 2.662 5.822 2.872 240 1HG2 VAL 34 1HG2 VAL 34 1.921 4.564 0.414 241 2HG2 VAL 34 2HG2 VAL 34 2.850 5.237 -0.947 242 3HG2 VAL 34 3HG2 VAL 34 3.447 3.797 -0.087 243 H ALA 35 H ALA 35 6.672 5.358 0.391 244 HA ALA 35 HA ALA 35 6.700 4.707 -2.516 245 1HB ALA 35 1HB ALA 35 8.319 6.524 -1.943 246 2HB ALA 35 2HB ALA 35 9.099 5.420 -0.784 247 3HB ALA 35 3HB ALA 35 9.114 5.041 -2.523 248 H ILE 36 H ILE 36 6.352 2.570 -2.661 249 HA ILE 36 HA ILE 36 7.855 0.814 -0.784 250 HB ILE 36 HB ILE 36 4.954 0.673 -1.657 251 1HG1 ILE 36 1HG1 ILE 36 5.654 0.023 1.104 252 2HG1 ILE 36 2HG1 ILE 36 6.273 1.626 0.639 253 1HG2 ILE 36 1HG2 ILE 36 5.205 -1.571 -1.803 254 2HG2 ILE 36 2HG2 ILE 36 6.874 -1.493 -1.188 255 3HG2 ILE 36 3HG2 ILE 36 5.507 -1.553 -0.049 256 1HD1 ILE 36 1HD1 ILE 36 3.784 1.724 -0.472 257 2HD1 ILE 36 2HD1 ILE 36 3.466 0.672 0.928 258 3HD1 ILE 36 3HD1 ILE 36 4.151 2.297 1.173 259 H TYR 37 H TYR 37 9.380 -0.149 -1.999 260 HA TYR 37 HA TYR 37 8.687 -0.863 -4.798 261 1HB TYR 37 1HB TYR 37 11.394 -0.813 -3.431 262 2HB TYR 37 2HB TYR 37 11.073 -0.983 -5.165 263 HD1 TYR 37 1HD TYR 37 10.760 1.372 -2.284 264 HD2 TYR 37 2HD TYR 37 10.854 0.910 -6.554 265 HE1 TYR 37 1HE TYR 37 10.878 3.835 -2.548 266 HE2 TYR 37 2HE TYR 37 10.973 3.373 -6.818 267 HH TYR 37 HH TYR 37 10.138 5.542 -4.798 268 H GLY 38 H GLY 38 8.686 -2.968 -5.490 269 1HA GLY 38 1HA GLY 38 8.936 -5.268 -5.394 270 2HA GLY 38 2HA GLY 38 9.855 -5.089 -3.883 271 H VAL 39 H VAL 39 6.496 -4.397 -5.026 272 HA VAL 39 HA VAL 39 5.425 -5.109 -2.407 273 HB VAL 39 HB VAL 39 3.970 -4.503 -5.009 274 1HG1 VAL 39 1HG1 VAL 39 2.817 -3.690 -2.424 275 2HG1 VAL 39 2HG1 VAL 39 2.068 -4.573 -3.776 276 3HG1 VAL 39 3HG1 VAL 39 3.034 -5.451 -2.566 277 1HG2 VAL 39 1HG2 VAL 39 5.588 -2.819 -3.258 278 2HG2 VAL 39 2HG2 VAL 39 4.804 -2.414 -4.804 279 3HG2 VAL 39 3HG2 VAL 39 3.893 -2.278 -3.282 280 H ASN 40 H ASN 40 5.076 -7.157 -1.801 281 HA ASN 40 HA ASN 40 4.679 -9.192 -3.927 282 1HB ASN 40 1HB ASN 40 5.679 -9.243 -1.081 283 2HB ASN 40 2HB ASN 40 5.054 -10.723 -1.841 284 1HD2 ASN 40 1HD2 ASN 40 6.979 -7.955 -3.131 285 2HD2 ASN 40 2HD2 ASN 40 8.308 -8.932 -3.717 286 H TRP 41 H TRP 41 3.300 -7.872 -0.900 287 HA TRP 41 HA TRP 41 0.637 -8.626 -1.760 288 1HB TRP 41 1HB TRP 41 1.218 -10.773 -0.929 289 2HB TRP 41 2HB TRP 41 2.028 -10.090 0.488 290 HD1 TRP 41 HD TRP 41 -0.004 -8.376 1.864 291 HE1 TRP 41 1HE TRP 41 -2.202 -9.249 2.811 292 HE3 TRP 41 3HE TRP 41 -0.471 -12.620 -0.959 293 HZ2 TRP 41 2HZ TRP 41 -3.958 -11.513 2.402 294 HZ3 TRP 41 3HZ TRP 41 -2.417 -14.107 -0.652 295 HH2 TRP 41 HH TRP 41 -4.164 -13.570 1.020 296 H VAL 42 H VAL 42 -0.993 -7.612 -0.493 297 HA VAL 42 HA VAL 42 0.006 -5.809 1.646 298 HB VAL 42 HB VAL 42 -1.499 -5.097 -0.876 299 1HG1 VAL 42 1HG1 VAL 42 -1.856 -2.844 0.382 300 2HG1 VAL 42 2HG1 VAL 42 -2.972 -4.185 0.733 301 3HG1 VAL 42 3HG1 VAL 42 -1.649 -3.810 1.863 302 1HG2 VAL 42 1HG2 VAL 42 0.930 -4.124 0.649 303 2HG2 VAL 42 2HG2 VAL 42 0.808 -4.628 -1.054 304 3HG2 VAL 42 3HG2 VAL 42 0.113 -3.074 -0.534 305 H GLU 43 H GLU 43 -1.320 -5.692 3.397 306 HA GLU 43 HA GLU 43 -3.721 -7.397 3.334 307 1HB GLU 43 1HB GLU 43 -2.487 -5.909 5.678 308 2HB GLU 43 2HB GLU 43 -3.619 -7.282 5.732 309 1HG GLU 43 1HG GLU 43 -1.226 -7.842 4.121 310 2HG GLU 43 2HG GLU 43 -0.837 -7.449 5.810 311 H SER 44 H SER 44 -5.751 -6.625 4.299 312 HA SER 44 HA SER 44 -6.134 -3.735 4.487 313 1HB SER 44 1HB SER 44 -7.790 -5.211 2.433 314 2HB SER 44 2HB SER 44 -7.561 -3.458 2.640 315 HG SER 44 HG SER 44 -5.717 -5.377 1.672 316 H GLY 45 H GLY 45 -6.677 -4.420 6.657 317 1HA GLY 45 1HA GLY 45 -8.496 -6.346 7.434 318 2HA GLY 45 2HA GLY 45 -8.299 -4.780 8.255 319 H ASN 46 H ASN 46 -10.692 -5.233 8.663 320 HA ASN 46 HA ASN 46 -12.555 -5.075 6.499 321 1HB ASN 46 1HB ASN 46 -13.174 -6.006 8.657 322 2HB ASN 46 2HB ASN 46 -12.809 -4.467 9.466 323 1HD2 ASN 46 1HD2 ASN 46 -14.587 -3.340 9.993 324 2HD2 ASN 46 2HD2 ASN 46 -16.066 -3.272 9.059 325 H ASN 47 H ASN 47 -10.901 -3.196 5.671 326 HA ASN 47 HA ASN 47 -12.497 -0.750 5.947 327 1HB ASN 47 1HB ASN 47 -10.204 0.497 6.246 328 2HB ASN 47 2HB ASN 47 -11.040 -0.173 7.664 329 1HD2 ASN 47 1HD2 ASN 47 -8.488 -0.848 5.236 330 2HD2 ASN 47 2HD2 ASN 47 -7.542 -1.908 6.259 331 H VAL 48 H VAL 48 -12.392 0.545 4.124 332 HA VAL 48 HA VAL 48 -11.066 -0.703 1.809 333 HB VAL 48 HB VAL 48 -12.875 1.736 1.885 334 1HG1 VAL 48 1HG1 VAL 48 -11.940 -0.237 -0.225 335 2HG1 VAL 48 2HG1 VAL 48 -13.384 0.777 -0.456 336 3HG1 VAL 48 3HG1 VAL 48 -11.791 1.537 -0.227 337 1HG2 VAL 48 1HG2 VAL 48 -14.652 -0.001 1.232 338 2HG2 VAL 48 2HG2 VAL 48 -13.515 -1.235 1.828 339 3HG2 VAL 48 3HG2 VAL 48 -14.146 0.005 2.939 340 H VAL 49 H VAL 49 -9.122 -0.049 1.119 341 HA VAL 49 HA VAL 49 -8.364 2.789 1.558 342 HB VAL 49 HB VAL 49 -6.763 0.306 2.268 343 1HG1 VAL 49 1HG1 VAL 49 -4.837 1.432 1.917 344 2HG1 VAL 49 2HG1 VAL 49 -5.792 2.649 1.037 345 3HG1 VAL 49 3HG1 VAL 49 -5.455 2.866 2.771 346 1HG2 VAL 49 1HG2 VAL 49 -7.992 2.640 3.726 347 2HG2 VAL 49 2HG2 VAL 49 -7.968 0.916 4.168 348 3HG2 VAL 49 3HG2 VAL 49 -6.503 1.907 4.370 349 H THR 50 H THR 50 -7.310 3.714 -0.155 350 HA THR 50 HA THR 50 -7.033 2.002 -2.554 351 HB THR 50 HB THR 50 -7.473 4.916 -2.008 352 HG1 THR 50 1HG THR 50 -9.177 4.452 -3.138 353 1HG2 THR 50 1HG2 THR 50 -6.895 5.066 -4.621 354 2HG2 THR 50 2HG2 THR 50 -5.653 5.336 -3.375 355 3HG2 THR 50 3HG2 THR 50 -5.767 3.758 -4.191 356 H LEU 51 H LEU 51 -5.097 1.524 -3.458 357 HA LEU 51 HA LEU 51 -2.698 2.706 -2.146 358 1HB LEU 51 1HB LEU 51 -3.300 0.003 -3.358 359 2HB LEU 51 2HB LEU 51 -1.623 0.582 -3.206 360 HG LEU 51 HG LEU 51 -3.660 0.120 -0.998 361 1HD1 LEU 51 1HD1 LEU 51 -2.505 -1.816 -0.865 362 2HD1 LEU 51 2HD1 LEU 51 -1.326 -1.257 -2.075 363 3HD1 LEU 51 3HD1 LEU 51 -1.093 -0.859 -0.355 364 1HD2 LEU 51 1HD2 LEU 51 -2.687 2.246 -0.462 365 2HD2 LEU 51 2HD2 LEU 51 -1.796 1.040 0.497 366 3HD2 LEU 51 3HD2 LEU 51 -1.071 1.714 -0.983 367 H GLN 52 H GLN 52 -1.433 4.003 -3.339 368 HA GLN 52 HA GLN 52 -1.821 3.942 -6.294 369 1HB GLN 52 1HB GLN 52 -1.307 6.155 -4.308 370 2HB GLN 52 2HB GLN 52 -0.798 6.341 -6.004 371 1HG GLN 52 1HG GLN 52 -3.299 5.396 -6.401 372 2HG GLN 52 2HG GLN 52 -3.543 6.191 -4.830 373 1HE2 GLN 52 1HE2 GLN 52 -2.069 6.763 -8.072 374 2HE2 GLN 52 2HE2 GLN 52 -2.498 8.458 -8.159 375 H PHE 53 H PHE 53 -0.204 2.797 -7.199 376 HA PHE 53 HA PHE 53 2.562 3.489 -6.367 377 1HB PHE 53 1HB PHE 53 3.195 1.135 -6.498 378 2HB PHE 53 2HB PHE 53 1.944 1.381 -5.268 379 HD1 PHE 53 1HD PHE 53 -0.391 0.649 -5.691 380 HD2 PHE 53 2HD PHE 53 2.795 -0.217 -8.440 381 HE1 PHE 53 1HE PHE 53 -1.793 -1.090 -6.768 382 HE2 PHE 53 2HE PHE 53 1.392 -1.956 -9.516 383 HZ PHE 53 HZ PHE 53 -0.902 -2.392 -8.681 384 H GLN 54 H GLN 54 4.160 3.101 -8.043 385 HA GLN 54 HA GLN 54 2.938 3.316 -10.739 386 1HB GLN 54 1HB GLN 54 4.664 4.995 -9.574 387 2HB GLN 54 2HB GLN 54 5.844 3.827 -10.216 388 1HG GLN 54 1HG GLN 54 5.100 4.147 -12.455 389 2HG GLN 54 2HG GLN 54 3.615 4.969 -11.928 390 1HE2 GLN 54 1HE2 GLN 54 6.996 5.306 -12.709 391 2HE2 GLN 54 2HE2 GLN 54 7.112 7.035 -12.461 392 H ARG 55 H ARG 55 2.840 1.459 -11.850 393 HA ARG 55 HA ARG 55 4.129 -0.929 -11.195 394 1HB ARG 55 1HB ARG 55 2.484 0.112 -13.313 395 2HB ARG 55 2HB ARG 55 3.814 -0.828 -14.030 396 1HG ARG 55 1HG ARG 55 2.421 -1.972 -11.629 397 2HG ARG 55 2HG ARG 55 1.560 -2.007 -13.186 398 1HD ARG 55 1HD ARG 55 3.098 -3.432 -14.163 399 2HD ARG 55 2HD ARG 55 4.437 -2.858 -13.147 400 HE ARG 55 HE ARG 55 2.407 -4.259 -11.624 401 1HH1 ARG 55 1HH1 ARG 55 4.403 -7.158 -11.390 402 2HH1 ARG 55 2HH1 ARG 55 2.995 -6.325 -10.771 403 1HH2 ARG 55 1HH2 ARG 55 5.681 -6.188 -13.067 404 2HH2 ARG 55 2HH2 ARG 55 5.236 -4.624 -13.713 405 H ASN 56 H ASN 56 5.051 1.364 -13.834 406 HA ASN 56 HA ASN 56 7.804 0.241 -13.659 407 1HB ASN 56 1HB ASN 56 6.163 1.422 -15.901 408 2HB ASN 56 2HB ASN 56 7.938 1.413 -15.984 409 1HD2 ASN 56 1HD2 ASN 56 9.035 -0.726 -15.647 410 2HD2 ASN 56 2HD2 ASN 56 8.236 -2.160 -16.253 411 H LEU 57 H LEU 57 9.563 1.625 -13.462 412 HA LEU 57 HA LEU 57 8.933 4.237 -12.305 413 1HB LEU 57 1HB LEU 57 10.616 2.877 -11.217 414 2HB LEU 57 2HB LEU 57 11.524 2.704 -12.738 415 HG LEU 57 HG LEU 57 11.909 5.149 -12.788 416 1HD1 LEU 57 1HD1 LEU 57 10.761 6.589 -11.472 417 2HD1 LEU 57 2HD1 LEU 57 9.720 5.210 -11.045 418 3HD1 LEU 57 3HD1 LEU 57 11.104 5.634 -10.009 419 1HD2 LEU 57 1HD2 LEU 57 13.750 4.854 -11.508 420 2HD2 LEU 57 2HD2 LEU 57 12.776 4.681 -10.028 421 3HD2 LEU 57 3HD2 LEU 57 13.075 3.267 -11.068 422 H SER 58 H SER 58 10.813 2.938 -15.090 423 HA SER 58 HA SER 58 11.682 5.381 -16.146 424 1HB SER 58 1HB SER 58 11.900 2.745 -16.840 425 2HB SER 58 2HB SER 58 10.802 3.339 -18.109 426 HG SER 58 HG SER 58 12.932 4.989 -17.511 427 H ASP 59 H ASP 59 8.606 3.605 -16.698 428 HA ASP 59 HA ASP 59 7.587 5.990 -18.150 429 1HB ASP 59 1HB ASP 59 7.492 3.744 -19.261 430 2HB ASP 59 2HB ASP 59 6.429 3.185 -17.950 431 HA PRO 60 HA PRO 60 5.118 7.042 -14.661 432 1HB PRO 60 1HB PRO 60 3.273 8.648 -15.861 433 2HB PRO 60 2HB PRO 60 5.004 9.107 -15.763 434 1HG PRO 60 1HG PRO 60 3.589 7.758 -18.080 435 2HG PRO 60 2HG PRO 60 4.607 9.234 -18.137 436 1HD PRO 60 1HD PRO 60 5.634 6.776 -18.714 437 2HD PRO 60 2HD PRO 60 6.590 7.960 -17.772 438 H ARG 61 H ARG 61 4.686 4.423 -15.542 439 HA ARG 61 HA ARG 61 1.925 4.026 -16.309 440 1HB ARG 61 1HB ARG 61 4.310 2.375 -15.664 441 2HB ARG 61 2HB ARG 61 2.736 1.627 -15.301 442 1HG ARG 61 1HG ARG 61 1.986 1.887 -17.564 443 2HG ARG 61 2HG ARG 61 3.344 2.968 -17.962 444 1HD ARG 61 1HD ARG 61 4.716 0.790 -17.090 445 2HD ARG 61 2HD ARG 61 3.264 -0.005 -17.735 446 HE ARG 61 HE ARG 61 5.339 1.406 -19.249 447 1HH1 ARG 61 1HH1 ARG 61 3.682 0.660 -22.272 448 2HH1 ARG 61 2HH1 ARG 61 5.158 1.255 -21.548 449 1HH2 ARG 61 1HH2 ARG 61 1.903 0.021 -20.925 450 2HH2 ARG 61 2HH2 ARG 61 2.040 0.135 -19.184 451 H LEU 62 H LEU 62 0.904 5.393 -14.660 452 HA LEU 62 HA LEU 62 1.112 4.613 -11.872 453 1HB LEU 62 1HB LEU 62 -0.059 6.749 -13.459 454 2HB LEU 62 2HB LEU 62 -1.230 6.132 -12.269 455 HG LEU 62 HG LEU 62 0.445 8.010 -11.537 456 1HD1 LEU 62 1HD1 LEU 62 0.737 5.893 -9.537 457 2HD1 LEU 62 2HD1 LEU 62 -0.207 7.399 -9.460 458 3HD1 LEU 62 3HD1 LEU 62 -0.911 5.945 -10.207 459 1HD2 LEU 62 1HD2 LEU 62 2.254 5.724 -10.839 460 2HD2 LEU 62 2HD2 LEU 62 2.329 6.350 -12.503 461 3HD2 LEU 62 3HD2 LEU 62 2.644 7.436 -11.129 462 H GLU 63 H GLU 63 -0.217 3.292 -10.700 463 HA GLU 63 HA GLU 63 -2.603 2.184 -12.074 464 1HB GLU 63 1HB GLU 63 -0.436 0.567 -10.676 465 2HB GLU 63 2HB GLU 63 -1.971 -0.080 -11.304 466 1HG GLU 63 1HG GLU 63 0.233 1.266 -12.918 467 2HG GLU 63 2HG GLU 63 -0.193 -0.459 -12.941 468 H THR 64 H THR 64 -4.349 1.916 -10.750 469 HA THR 64 HA THR 64 -3.892 2.519 -7.866 470 HB THR 64 HB THR 64 -6.417 3.166 -8.059 471 HG1 THR 64 1HG THR 64 -6.740 4.011 -10.255 472 1HG2 THR 64 1HG2 THR 64 -5.507 5.215 -7.831 473 2HG2 THR 64 2HG2 THR 64 -3.950 4.563 -8.394 474 3HG2 THR 64 3HG2 THR 64 -5.102 5.250 -9.564 475 H ILE 65 H ILE 65 -4.841 1.210 -6.323 476 HA ILE 65 HA ILE 65 -6.471 -1.069 -7.296 477 HB ILE 65 HB ILE 65 -3.989 -1.664 -7.082 478 1HG1 ILE 65 1HG1 ILE 65 -5.925 -3.111 -5.226 479 2HG1 ILE 65 2HG1 ILE 65 -5.898 -3.298 -6.996 480 1HG2 ILE 65 1HG2 ILE 65 -4.591 -1.586 -4.108 481 2HG2 ILE 65 2HG2 ILE 65 -3.022 -1.821 -4.915 482 3HG2 ILE 65 3HG2 ILE 65 -3.805 -0.223 -4.942 483 1HD1 ILE 65 1HD1 ILE 65 -3.471 -3.774 -5.220 484 2HD1 ILE 65 2HD1 ILE 65 -4.593 -5.064 -5.716 485 3HD1 ILE 65 3HD1 ILE 65 -3.652 -4.183 -6.943 486 H THR 66 H THR 66 -8.251 -1.331 -6.074 487 HA THR 66 HA THR 66 -8.324 0.097 -3.470 488 HB THR 66 HB THR 66 -10.448 -0.798 -5.441 489 HG1 THR 66 1HG THR 66 -10.346 1.229 -5.908 490 1HG2 THR 66 1HG2 THR 66 -12.081 -0.680 -3.855 491 2HG2 THR 66 2HG2 THR 66 -10.754 -1.015 -2.716 492 3HG2 THR 66 3HG2 THR 66 -11.284 0.661 -2.998 493 H LEU 67 H LEU 67 -8.174 -1.071 -1.657 494 HA LEU 67 HA LEU 67 -8.570 -3.997 -1.842 495 1HB LEU 67 1HB LEU 67 -7.498 -2.392 0.499 496 2HB LEU 67 2HB LEU 67 -7.286 -4.127 0.165 497 HG LEU 67 HG LEU 67 -6.340 -2.094 -1.856 498 1HD1 LEU 67 1HD1 LEU 67 -5.511 -1.897 0.758 499 2HD1 LEU 67 2HD1 LEU 67 -4.333 -3.060 0.103 500 3HD1 LEU 67 3HD1 LEU 67 -4.513 -1.457 -0.649 501 1HD2 LEU 67 1HD2 LEU 67 -5.108 -3.864 -2.682 502 2HD2 LEU 67 2HD2 LEU 67 -4.884 -4.596 -1.075 503 3HD2 LEU 67 3HD2 LEU 67 -6.435 -4.781 -1.930 504 H GLN 68 H GLN 68 -10.353 -4.958 -1.061 505 HA GLN 68 HA GLN 68 -12.351 -3.289 0.295 506 1HB GLN 68 1HB GLN 68 -12.385 -6.181 -0.654 507 2HB GLN 68 2HB GLN 68 -13.781 -5.302 0.014 508 1HG GLN 68 1HG GLN 68 -12.258 -4.742 -2.552 509 2HG GLN 68 2HG GLN 68 -13.981 -5.129 -2.360 510 1HE2 GLN 68 1HE2 GLN 68 -15.259 -3.532 -0.962 511 2HE2 GLN 68 2HE2 GLN 68 -14.897 -1.833 -1.182 512 H LYS 69 H LYS 69 -13.645 -4.770 2.043 513 HA LYS 69 HA LYS 69 -12.098 -4.745 4.368 514 1HB LYS 69 1HB LYS 69 -14.451 -6.601 3.901 515 2HB LYS 69 2HB LYS 69 -13.950 -5.814 5.417 516 1HG LYS 69 1HG LYS 69 -15.381 -4.141 4.909 517 2HG LYS 69 2HG LYS 69 -14.278 -3.703 3.582 518 1HD LYS 69 1HD LYS 69 -15.476 -5.154 2.037 519 2HD LYS 69 2HD LYS 69 -16.494 -5.782 3.354 520 1HE LYS 69 1HE LYS 69 -16.400 -2.812 2.873 521 2HE LYS 69 2HE LYS 69 -17.362 -3.828 1.776 522 1HZ LYS 69 1HZ LYS 69 -18.895 -3.994 3.302 523 2HZ LYS 69 2HZ LYS 69 -17.830 -4.529 4.443 524 3HZ LYS 69 3HZ LYS 69 -18.079 -2.911 4.242 525 H TRP 70 H TRP 70 -10.747 -6.156 5.384 526 HA TRP 70 HA TRP 70 -9.253 -7.895 5.524 527 1HB TRP 70 1HB TRP 70 -11.590 -9.582 4.604 528 2HB TRP 70 2HB TRP 70 -10.249 -10.060 5.655 529 HD1 TRP 70 HD TRP 70 -13.738 -9.021 5.786 530 HE1 TRP 70 1HE TRP 70 -14.475 -8.377 8.137 531 HE3 TRP 70 3HE TRP 70 -9.137 -8.634 7.995 532 HZ2 TRP 70 2HZ TRP 70 -13.227 -7.765 10.676 533 HZ3 TRP 70 3HZ TRP 70 -8.952 -8.019 10.377 534 HH2 TRP 70 HH TRP 70 -10.982 -7.581 11.729 535 H GLY 71 H GLY 71 -9.406 -6.497 2.941 536 1HA GLY 71 1HA GLY 71 -9.025 -8.630 0.948 537 2HA GLY 71 2HA GLY 71 -9.009 -6.876 0.658 538 H SER 72 H SER 72 -7.058 -8.866 -0.265 539 HA SER 72 HA SER 72 -4.656 -7.635 0.965 540 1HB SER 72 1HB SER 72 -3.970 -10.297 0.289 541 2HB SER 72 2HB SER 72 -4.074 -9.584 1.917 542 HG SER 72 HG SER 72 -6.533 -10.036 1.203 543 H TRP 73 H TRP 73 -2.740 -7.795 -0.446 544 HA TRP 73 HA TRP 73 -3.517 -8.128 -3.306 545 1HB TRP 73 1HB TRP 73 -3.259 -5.748 -2.534 546 2HB TRP 73 2HB TRP 73 -1.570 -6.110 -2.154 547 HD1 TRP 73 HD TRP 73 -3.126 -7.525 -5.317 548 HE1 TRP 73 1HE TRP 73 -2.079 -6.446 -7.373 549 HE3 TRP 73 3HE TRP 73 -0.381 -3.878 -3.003 550 HZ2 TRP 73 2HZ TRP 73 -0.268 -4.265 -7.954 551 HZ3 TRP 73 3HZ TRP 73 0.991 -2.321 -4.339 552 HH2 TRP 73 HH TRP 73 1.058 -2.500 -6.809 553 H ASN 74 H ASN 74 -2.246 -9.459 -4.479 554 HA ASN 74 HA ASN 74 0.431 -10.138 -3.370 555 1HB ASN 74 1HB ASN 74 -0.049 -12.502 -4.170 556 2HB ASN 74 2HB ASN 74 -0.952 -11.977 -2.733 557 1HD2 ASN 74 1HD2 ASN 74 -3.202 -11.416 -2.936 558 2HD2 ASN 74 2HD2 ASN 74 -4.150 -12.003 -4.286 559 HA PRO 75 HA PRO 75 0.590 -8.885 -7.832 560 1HB PRO 75 1HB PRO 75 2.595 -7.056 -7.590 561 2HB PRO 75 2HB PRO 75 0.900 -6.664 -7.154 562 1HG PRO 75 1HG PRO 75 3.113 -7.572 -5.291 563 2HG PRO 75 2HG PRO 75 2.058 -6.133 -5.107 564 1HD PRO 75 1HD PRO 75 1.485 -8.486 -3.856 565 2HD PRO 75 2HD PRO 75 0.177 -7.499 -4.576 566 H GLY 76 H GLY 76 3.797 -8.323 -6.451 567 1HA GLY 76 1HA GLY 76 5.083 -10.674 -6.335 568 2HA GLY 76 2HA GLY 76 4.859 -10.516 -8.092 569 H HIS 77 H HIS 77 5.888 -8.498 -5.277 570 HA HIS 77 HA HIS 77 7.676 -7.091 -5.021 571 1HB HIS 77 1HB HIS 77 9.193 -8.773 -5.615 572 2HB HIS 77 2HB HIS 77 8.618 -8.836 -7.291 573 HD1 HIS 77 1HD HIS 77 9.368 -5.375 -5.970 574 HD2 HIS 77 2HD HIS 77 11.252 -8.517 -8.063 575 HE1 HIS 77 1HE HIS 77 11.497 -4.387 -7.016 576 HE2 HIS 77 2HE HIS 77 12.632 -6.304 -8.285 577 H ILE 78 H ILE 78 6.501 -5.200 -5.416 578 HA ILE 78 HA ILE 78 6.251 -4.268 -8.197 579 HB ILE 78 HB ILE 78 5.375 -3.026 -5.559 580 1HG1 ILE 78 1HG1 ILE 78 4.406 -5.325 -6.665 581 2HG1 ILE 78 2HG1 ILE 78 3.403 -4.174 -5.750 582 1HG2 ILE 78 1HG2 ILE 78 3.853 -1.735 -7.157 583 2HG2 ILE 78 2HG2 ILE 78 5.579 -1.304 -7.223 584 3HG2 ILE 78 3HG2 ILE 78 4.873 -2.347 -8.481 585 1HD1 ILE 78 1HD1 ILE 78 2.622 -3.118 -7.757 586 2HD1 ILE 78 2HD1 ILE 78 3.842 -3.950 -8.750 587 3HD1 ILE 78 3HD1 ILE 78 2.494 -4.871 -8.040 588 H HIS 79 H HIS 79 7.077 -2.196 -8.878 589 HA HIS 79 HA HIS 79 9.780 -1.775 -8.338 590 1HB HIS 79 1HB HIS 79 8.956 -0.811 -10.296 591 2HB HIS 79 2HB HIS 79 7.566 -0.079 -9.472 592 HD1 HIS 79 1HD HIS 79 11.376 0.358 -8.782 593 HD2 HIS 79 2HD HIS 79 7.843 2.491 -9.661 594 HE1 HIS 79 1HE HIS 79 11.991 2.852 -8.724 595 HE2 HIS 79 2HE HIS 79 9.838 4.138 -9.259 596 H GLU 80 H GLU 80 7.326 0.698 -7.453 597 HA GLU 80 HA GLU 80 8.172 0.712 -4.672 598 1HB GLU 80 1HB GLU 80 10.025 1.928 -5.895 599 2HB GLU 80 2HB GLU 80 8.817 3.141 -6.381 600 1HG GLU 80 1HG GLU 80 8.269 3.078 -3.755 601 2HG GLU 80 2HG GLU 80 9.965 2.553 -3.673 602 H ILE 81 H ILE 81 6.789 1.976 -3.362 603 HA ILE 81 HA ILE 81 4.185 2.471 -4.578 604 HB ILE 81 HB ILE 81 5.280 2.698 -1.752 605 1HG1 ILE 81 1HG1 ILE 81 4.980 0.414 -2.757 606 2HG1 ILE 81 2HG1 ILE 81 3.911 0.714 -1.366 607 1HG2 ILE 81 1HG2 ILE 81 2.923 3.041 -1.072 608 2HG2 ILE 81 2HG2 ILE 81 3.487 4.364 -2.121 609 3HG2 ILE 81 3HG2 ILE 81 2.437 3.088 -2.784 610 1HD1 ILE 81 1HD1 ILE 81 2.579 1.649 -3.732 611 2HD1 ILE 81 2HD1 ILE 81 3.182 0.005 -4.051 612 3HD1 ILE 81 3HD1 ILE 81 2.113 0.306 -2.660 613 H LEU 82 H LEU 82 3.238 4.430 -4.986 614 HA LEU 82 HA LEU 82 5.038 6.754 -4.967 615 1HB LEU 82 1HB LEU 82 2.200 6.427 -6.021 616 2HB LEU 82 2HB LEU 82 3.296 7.794 -6.337 617 HG LEU 82 HG LEU 82 3.390 4.979 -7.388 618 1HD1 LEU 82 1HD1 LEU 82 4.050 6.176 -9.438 619 2HD1 LEU 82 2HD1 LEU 82 2.569 6.888 -8.754 620 3HD1 LEU 82 3HD1 LEU 82 4.134 7.706 -8.531 621 1HD2 LEU 82 1HD2 LEU 82 5.820 6.765 -6.944 622 2HD2 LEU 82 2HD2 LEU 82 5.515 5.194 -6.166 623 3HD2 LEU 82 3HD2 LEU 82 5.805 5.277 -7.920 624 H SER 83 H SER 83 1.588 6.202 -4.040 625 HA SER 83 HA SER 83 2.085 7.680 -1.535 626 1HB SER 83 1HB SER 83 1.397 9.318 -3.359 627 2HB SER 83 2HB SER 83 -0.162 8.461 -3.424 628 HG SER 83 HG SER 83 0.817 9.246 -0.929 629 H ILE 84 H ILE 84 -0.009 7.652 -0.174 630 HA ILE 84 HA ILE 84 -1.551 5.168 -0.718 631 HB ILE 84 HB ILE 84 -0.014 5.955 1.766 632 1HG1 ILE 84 1HG1 ILE 84 -0.356 3.363 0.197 633 2HG1 ILE 84 2HG1 ILE 84 1.048 4.453 0.110 634 1HG2 ILE 84 1HG2 ILE 84 -2.389 4.058 1.541 635 2HG2 ILE 84 2HG2 ILE 84 -1.297 4.156 2.943 636 3HG2 ILE 84 3HG2 ILE 84 -2.312 5.551 2.506 637 1HD1 ILE 84 1HD1 ILE 84 0.081 2.871 2.525 638 2HD1 ILE 84 2HD1 ILE 84 1.611 2.666 1.639 639 3HD1 ILE 84 3HD1 ILE 84 1.334 4.132 2.610 640 H ARG 85 H ARG 85 -3.705 5.431 -0.497 641 HA ARG 85 HA ARG 85 -4.632 7.864 0.958 642 1HB ARG 85 1HB ARG 85 -4.905 8.181 -1.443 643 2HB ARG 85 2HB ARG 85 -5.706 6.599 -1.593 644 1HG ARG 85 1HG ARG 85 -7.433 7.467 0.088 645 2HG ARG 85 2HG ARG 85 -6.715 9.078 -0.152 646 1HD ARG 85 1HD ARG 85 -7.031 8.204 -2.747 647 2HD ARG 85 2HD ARG 85 -8.443 7.480 -1.947 648 HE ARG 85 HE ARG 85 -9.348 9.599 -1.636 649 1HH1 ARG 85 1HH1 ARG 85 -7.973 12.716 -2.548 650 2HH1 ARG 85 2HH1 ARG 85 -9.408 11.880 -1.998 651 1HH2 ARG 85 1HH2 ARG 85 -6.010 11.535 -2.916 652 2HH2 ARG 85 2HH2 ARG 85 -5.965 9.807 -2.642 653 H ILE 86 H ILE 86 -6.074 7.512 2.553 654 HA ILE 86 HA ILE 86 -7.296 4.795 2.694 655 HB ILE 86 HB ILE 86 -6.650 6.681 4.991 656 1HG1 ILE 86 1HG1 ILE 86 -5.149 4.136 4.368 657 2HG1 ILE 86 2HG1 ILE 86 -4.696 5.650 3.549 658 1HG2 ILE 86 1HG2 ILE 86 -6.763 4.011 5.838 659 2HG2 ILE 86 2HG2 ILE 86 -8.021 5.248 6.080 660 3HG2 ILE 86 3HG2 ILE 86 -8.105 4.156 4.677 661 1HD1 ILE 86 1HD1 ILE 86 -3.350 5.486 5.549 662 2HD1 ILE 86 2HD1 ILE 86 -4.580 6.738 5.842 663 3HD1 ILE 86 3HD1 ILE 86 -4.778 5.115 6.545 664 H TYR 87 H TYR 87 -9.485 4.653 2.877 665 HA TYR 87 HA TYR 87 -10.999 7.137 2.539 666 1HB TYR 87 1HB TYR 87 -11.710 4.191 2.547 667 2HB TYR 87 2HB TYR 87 -12.922 5.475 2.399 668 HD1 TYR 87 1HD TYR 87 -13.648 5.891 0.251 669 HD2 TYR 87 2HD TYR 87 -9.579 4.660 0.866 670 HE1 TYR 87 1HE TYR 87 -13.250 5.986 -2.195 671 HE2 TYR 87 2HE TYR 87 -9.181 4.755 -1.580 672 HH TYR 87 HH TYR 87 -11.707 5.808 -3.876 Start of MODEL 3 1 H MET 1 H MET 1 -3.202 13.685 7.039 2 HA MET 1 HA MET 1 -3.031 12.899 9.206 3 1HB MET 1 1HB MET 1 -5.796 12.461 8.191 4 2HB MET 1 2HB MET 1 -5.386 11.653 9.723 5 1HG MET 1 1HG MET 1 -4.605 13.781 10.658 6 2HG MET 1 2HG MET 1 -4.941 14.600 9.123 7 1HE MET 1 1HE MET 1 -6.519 15.289 12.427 8 2HE MET 1 2HE MET 1 -7.494 13.819 12.665 9 3HE MET 1 3HE MET 1 -5.742 13.688 12.376 10 H ILE 2 H ILE 2 -1.966 11.083 7.115 11 HA ILE 2 HA ILE 2 -2.552 8.432 8.310 12 HB ILE 2 HB ILE 2 -2.735 8.474 5.910 13 1HG1 ILE 2 1HG1 ILE 2 -0.013 7.351 6.705 14 2HG1 ILE 2 2HG1 ILE 2 -1.572 6.517 6.906 15 1HG2 ILE 2 1HG2 ILE 2 -1.536 10.508 5.394 16 2HG2 ILE 2 2HG2 ILE 2 -0.016 9.838 6.032 17 3HG2 ILE 2 3HG2 ILE 2 -0.719 9.180 4.535 18 1HD1 ILE 2 1HD1 ILE 2 -1.175 5.673 4.834 19 2HD1 ILE 2 2HD1 ILE 2 -1.652 7.285 4.248 20 3HD1 ILE 2 3HD1 ILE 2 0.069 6.896 4.480 21 H ASN 3 H ASN 3 -0.984 7.224 9.338 22 HA ASN 3 HA ASN 3 1.746 8.367 9.485 23 1HB ASN 3 1HB ASN 3 -0.119 7.795 11.804 24 2HB ASN 3 2HB ASN 3 1.646 7.861 11.996 25 1HD2 ASN 3 1HD2 ASN 3 2.638 9.818 12.217 26 2HD2 ASN 3 2HD2 ASN 3 1.837 11.363 12.023 27 H ARG 4 H ARG 4 3.366 6.827 10.010 28 HA ARG 4 HA ARG 4 2.721 4.145 9.132 29 1HB ARG 4 1HB ARG 4 4.861 5.282 8.599 30 2HB ARG 4 2HB ARG 4 5.274 5.292 10.330 31 1HG ARG 4 1HG ARG 4 5.226 2.848 10.397 32 2HG ARG 4 2HG ARG 4 4.678 2.783 8.705 33 1HD ARG 4 1HD ARG 4 7.031 2.395 8.629 34 2HD ARG 4 2HD ARG 4 6.807 4.081 8.116 35 HE ARG 4 HE ARG 4 8.001 4.765 9.966 36 1HH1 ARG 4 1HH1 ARG 4 8.975 2.945 12.827 37 2HH1 ARG 4 2HH1 ARG 4 9.124 4.459 11.963 38 1HH2 ARG 4 1HH2 ARG 4 7.650 1.244 11.969 39 2HH2 ARG 4 2HH2 ARG 4 6.800 1.476 10.457 40 H THR 5 H THR 5 1.715 2.717 10.423 41 HA THR 5 HA THR 5 2.381 2.787 13.327 42 HB THR 5 HB THR 5 0.003 3.255 12.707 43 HG1 THR 5 1HG THR 5 -0.761 1.894 14.248 44 1HG2 THR 5 1HG2 THR 5 -0.509 2.052 10.787 45 2HG2 THR 5 2HG2 THR 5 0.407 0.620 11.313 46 3HG2 THR 5 3HG2 THR 5 -1.187 0.967 12.024 47 H ASP 6 H ASP 6 2.793 0.814 14.404 48 HA ASP 6 HA ASP 6 3.883 -1.259 12.612 49 1HB ASP 6 1HB ASP 6 4.180 -0.515 15.517 50 2HB ASP 6 2HB ASP 6 4.618 -2.149 14.973 51 H CYS 7 H CYS 7 0.995 -0.938 12.761 52 HA CYS 7 HA CYS 7 -0.906 -2.172 13.101 53 1HB CYS 7 1HB CYS 7 0.161 -4.791 13.408 54 2HB CYS 7 2HB CYS 7 -0.568 -4.059 11.969 55 H ASN 8 H ASN 8 -1.706 -1.575 15.081 56 HA ASN 8 HA ASN 8 -1.144 -3.445 17.295 57 1HB ASN 8 1HB ASN 8 -1.238 -0.531 17.967 58 2HB ASN 8 2HB ASN 8 -0.397 -1.863 18.789 59 1HD2 ASN 8 1HD2 ASN 8 -0.387 -0.114 15.627 60 2HD2 ASN 8 2HD2 ASN 8 1.355 -0.093 15.453 61 H GLU 9 H GLU 9 -3.319 -4.094 16.435 62 HA GLU 9 HA GLU 9 -5.376 -3.379 18.126 63 1HB GLU 9 1HB GLU 9 -4.870 -1.274 16.242 64 2HB GLU 9 2HB GLU 9 -6.440 -2.015 15.849 65 1HG GLU 9 1HG GLU 9 -5.686 -1.302 18.697 66 2HG GLU 9 2HG GLU 9 -6.416 -0.107 17.603 67 H ASN 10 H ASN 10 -5.774 -3.237 14.577 68 HA ASN 10 HA ASN 10 -5.897 -5.784 13.742 69 1HB ASN 10 1HB ASN 10 -7.932 -5.370 15.835 70 2HB ASN 10 2HB ASN 10 -8.576 -6.067 14.333 71 1HD2 ASN 10 1HD2 ASN 10 -8.848 -7.804 16.222 72 2HD2 ASN 10 2HD2 ASN 10 -7.580 -9.010 16.270 73 H SER 11 H SER 11 -7.397 -6.171 11.904 74 HA SER 11 HA SER 11 -8.180 -5.368 9.895 75 1HB SER 11 1HB SER 11 -10.352 -5.143 10.432 76 2HB SER 11 2HB SER 11 -9.945 -4.563 12.065 77 HG SER 11 HG SER 11 -10.878 -3.164 10.040 78 H TYR 12 H TYR 12 -6.377 -4.337 9.014 79 HA TYR 12 HA TYR 12 -6.632 -1.468 8.726 80 1HB TYR 12 1HB TYR 12 -4.586 -2.673 10.550 81 2HB TYR 12 2HB TYR 12 -4.093 -1.316 9.522 82 HD1 TYR 12 1HD TYR 12 -6.649 0.255 9.485 83 HD2 TYR 12 2HD TYR 12 -4.588 -1.713 12.699 84 HE1 TYR 12 1HE TYR 12 -7.653 1.845 11.103 85 HE2 TYR 12 2HE TYR 12 -5.592 -0.124 14.317 86 HH TYR 12 HH TYR 12 -6.706 2.624 13.838 87 H LEU 13 H LEU 13 -4.634 -0.646 7.402 88 HA LEU 13 HA LEU 13 -4.247 -2.624 5.249 89 1HB LEU 13 1HB LEU 13 -4.950 -0.577 4.366 90 2HB LEU 13 2HB LEU 13 -3.986 0.370 5.524 91 HG LEU 13 HG LEU 13 -1.973 -0.943 4.318 92 1HD1 LEU 13 1HD1 LEU 13 -2.649 -2.076 2.488 93 2HD1 LEU 13 2HD1 LEU 13 -4.312 -1.467 2.674 94 3HD1 LEU 13 3HD1 LEU 13 -3.114 -0.519 1.760 95 1HD2 LEU 13 1HD2 LEU 13 -2.640 1.168 2.507 96 2HD2 LEU 13 2HD2 LEU 13 -3.222 1.646 4.120 97 3HD2 LEU 13 3HD2 LEU 13 -1.511 1.218 3.882 98 H GLU 14 H GLU 14 -2.302 -3.516 4.710 99 HA GLU 14 HA GLU 14 0.133 -2.461 6.014 100 1HB GLU 14 1HB GLU 14 -0.476 -5.423 6.074 101 2HB GLU 14 2HB GLU 14 0.725 -4.508 7.017 102 1HG GLU 14 1HG GLU 14 -1.023 -3.421 8.300 103 2HG GLU 14 2HG GLU 14 -2.284 -4.125 7.266 104 H ILE 15 H ILE 15 2.023 -2.851 4.848 105 HA ILE 15 HA ILE 15 1.721 -4.388 2.324 106 HB ILE 15 HB ILE 15 3.025 -1.649 2.555 107 1HG1 ILE 15 1HG1 ILE 15 0.478 -2.287 1.049 108 2HG1 ILE 15 2HG1 ILE 15 0.425 -1.852 2.774 109 1HG2 ILE 15 1HG2 ILE 15 2.373 -3.479 0.205 110 2HG2 ILE 15 2HG2 ILE 15 3.007 -1.821 0.063 111 3HG2 ILE 15 3HG2 ILE 15 3.997 -3.090 0.823 112 1HD1 ILE 15 1HD1 ILE 15 2.187 -0.044 1.338 113 2HD1 ILE 15 2HD1 ILE 15 0.586 -0.088 0.561 114 3HD1 ILE 15 3HD1 ILE 15 0.728 0.329 2.286 115 H HIS 16 H HIS 16 3.257 -5.909 2.234 116 HA HIS 16 HA HIS 16 5.823 -5.362 3.653 117 1HB HIS 16 1HB HIS 16 5.964 -7.799 3.990 118 2HB HIS 16 2HB HIS 16 4.518 -7.110 4.750 119 HD1 HIS 16 1HD HIS 16 5.537 -9.746 2.301 120 HD2 HIS 16 2HD HIS 16 2.127 -7.470 3.300 121 HE1 HIS 16 1HE HIS 16 3.522 -10.936 1.238 122 HE2 HIS 16 2HE HIS 16 1.458 -9.544 1.851 123 H ASN 17 H ASN 17 7.160 -4.683 2.036 124 HA ASN 17 HA ASN 17 7.146 -6.225 -0.501 125 1HB ASN 17 1HB ASN 17 8.598 -4.300 -1.274 126 2HB ASN 17 2HB ASN 17 6.931 -3.864 -0.840 127 1HD2 ASN 17 1HD2 ASN 17 8.907 -1.905 -0.923 128 2HD2 ASN 17 2HD2 ASN 17 9.263 -1.364 0.704 129 H ASN 18 H ASN 18 9.642 -5.974 -1.437 130 HA ASN 18 HA ASN 18 11.685 -7.009 -1.342 131 1HB ASN 18 1HB ASN 18 11.448 -5.566 1.288 132 2HB ASN 18 2HB ASN 18 12.852 -6.612 0.990 133 1HD2 ASN 18 1HD2 ASN 18 12.197 -3.511 1.075 134 2HD2 ASN 18 2HD2 ASN 18 13.073 -2.905 -0.315 135 H GLU 19 H GLU 19 9.413 -8.680 -0.849 136 HA GLU 19 HA GLU 19 8.894 -10.767 -0.063 137 1HB GLU 19 1HB GLU 19 11.921 -10.861 0.223 138 2HB GLU 19 2HB GLU 19 10.851 -12.275 0.377 139 1HG GLU 19 1HG GLU 19 9.971 -11.811 -1.915 140 2HG GLU 19 2HG GLU 19 11.132 -10.475 -2.063 141 H GLY 20 H GLY 20 7.745 -9.848 1.753 142 1HA GLY 20 1HA GLY 20 7.471 -9.287 4.006 143 2HA GLY 20 2HA GLY 20 8.027 -10.968 4.172 144 H ARG 21 H ARG 21 9.817 -8.031 3.126 145 HA ARG 21 HA ARG 21 11.853 -8.655 5.183 146 1HB ARG 21 1HB ARG 21 12.939 -8.383 3.148 147 2HB ARG 21 2HB ARG 21 11.793 -7.145 2.581 148 1HG ARG 21 1HG ARG 21 14.140 -6.325 3.264 149 2HG ARG 21 2HG ARG 21 12.754 -5.466 3.977 150 1HD ARG 21 1HD ARG 21 13.451 -6.009 6.043 151 2HD ARG 21 2HD ARG 21 13.377 -7.736 5.631 152 HE ARG 21 HE ARG 21 15.674 -7.747 5.507 153 1HH1 ARG 21 1HH1 ARG 21 17.955 -5.078 5.170 154 2HH1 ARG 21 2HH1 ARG 21 17.781 -6.802 5.408 155 1HH2 ARG 21 1HH2 ARG 21 16.072 -3.740 4.953 156 2HH2 ARG 21 2HH2 ARG 21 14.477 -4.455 5.028 157 H ASP 22 H ASP 22 9.962 -5.870 3.887 158 HA ASP 22 HA ASP 22 10.103 -4.680 6.611 159 1HB ASP 22 1HB ASP 22 10.572 -3.334 3.930 160 2HB ASP 22 2HB ASP 22 10.241 -2.443 5.431 161 H THR 23 H THR 23 8.086 -4.566 7.394 162 HA THR 23 HA THR 23 5.852 -4.323 5.454 163 HB THR 23 HB THR 23 5.839 -5.074 8.404 164 HG1 THR 23 1HG THR 23 5.396 -7.168 7.437 165 1HG2 THR 23 1HG2 THR 23 3.615 -4.741 8.203 166 2HG2 THR 23 2HG2 THR 23 3.775 -4.390 6.466 167 3HG2 THR 23 3HG2 THR 23 3.585 -6.071 7.020 168 H LEU 24 H LEU 24 4.235 -2.737 5.723 169 HA LEU 24 HA LEU 24 4.865 -0.583 7.671 170 1HB LEU 24 1HB LEU 24 3.950 0.031 4.858 171 2HB LEU 24 2HB LEU 24 4.755 1.095 6.036 172 HG LEU 24 HG LEU 24 6.452 -1.176 5.575 173 1HD1 LEU 24 1HD1 LEU 24 4.865 -0.841 3.354 174 2HD1 LEU 24 2HD1 LEU 24 6.227 0.242 2.979 175 3HD1 LEU 24 3HD1 LEU 24 6.526 -1.480 3.316 176 1HD2 LEU 24 1HD2 LEU 24 6.743 1.684 4.572 177 2HD2 LEU 24 2HD2 LEU 24 7.021 1.202 6.263 178 3HD2 LEU 24 3HD2 LEU 24 8.045 0.537 4.968 179 H CYS 25 H CYS 25 3.154 -0.630 9.016 180 HA CYS 25 HA CYS 25 0.479 -1.212 7.891 181 1HB CYS 25 1HB CYS 25 1.296 -0.833 10.784 182 2HB CYS 25 2HB CYS 25 -0.191 -1.570 10.166 183 H PHE 26 H PHE 26 -0.820 0.427 7.334 184 HA PHE 26 HA PHE 26 -0.309 3.078 8.591 185 1HB PHE 26 1HB PHE 26 -1.583 2.297 5.949 186 2HB PHE 26 2HB PHE 26 -1.519 3.951 6.579 187 HD1 PHE 26 1HD PHE 26 0.245 1.361 4.783 188 HD2 PHE 26 2HD PHE 26 0.753 5.020 6.975 189 HE1 PHE 26 1HE PHE 26 2.487 1.660 3.765 190 HE2 PHE 26 2HE PHE 26 2.994 5.319 5.956 191 HZ PHE 26 HZ PHE 26 3.861 3.640 4.351 192 H ALA 27 H ALA 27 -2.133 4.361 9.226 193 HA ALA 27 HA ALA 27 -4.712 2.921 9.416 194 1HB ALA 27 1HB ALA 27 -4.275 4.302 11.882 195 2HB ALA 27 2HB ALA 27 -4.493 2.555 11.618 196 3HB ALA 27 3HB ALA 27 -2.860 3.263 11.582 197 H ASN 28 H ASN 28 -6.380 4.538 10.470 198 HA ASN 28 HA ASN 28 -7.489 6.538 10.331 199 1HB ASN 28 1HB ASN 28 -4.650 7.548 9.976 200 2HB ASN 28 2HB ASN 28 -6.061 8.626 10.024 201 1HD2 ASN 28 1HD2 ASN 28 -6.346 9.538 11.973 202 2HD2 ASN 28 2HD2 ASN 28 -6.049 8.764 13.515 203 H ALA 29 H ALA 29 -8.572 7.694 8.734 204 HA ALA 29 HA ALA 29 -8.329 6.717 6.073 205 1HB ALA 29 1HB ALA 29 -9.872 8.767 5.632 206 2HB ALA 29 2HB ALA 29 -10.463 7.476 6.706 207 3HB ALA 29 3HB ALA 29 -9.824 8.987 7.398 208 H GLY 30 H GLY 30 -6.376 8.875 7.778 209 1HA GLY 30 1HA GLY 30 -5.796 11.010 6.167 210 2HA GLY 30 2HA GLY 30 -4.549 10.080 7.029 211 H THR 31 H THR 31 -4.234 11.408 4.462 212 HA THR 31 HA THR 31 -3.496 9.020 2.867 213 HB THR 31 HB THR 31 -5.075 11.430 1.901 214 HG1 THR 31 1HG THR 31 -6.561 9.997 2.270 215 1HG2 THR 31 1HG2 THR 31 -4.798 10.450 -0.362 216 2HG2 THR 31 2HG2 THR 31 -3.232 10.932 0.332 217 3HG2 THR 31 3HG2 THR 31 -3.706 9.217 0.311 218 H MET 32 H MET 32 -1.369 9.112 2.492 219 HA MET 32 HA MET 32 -0.167 11.743 1.859 220 1HB MET 32 1HB MET 32 1.619 11.452 3.436 221 2HB MET 32 2HB MET 32 0.098 11.224 4.331 222 1HG MET 32 1HG MET 32 0.317 8.769 4.031 223 2HG MET 32 2HG MET 32 1.861 9.021 3.199 224 1HE MET 32 1HE MET 32 1.843 6.993 5.957 225 2HE MET 32 2HE MET 32 2.800 7.329 4.494 226 3HE MET 32 3HE MET 32 3.533 7.533 6.104 227 HA PRO 33 HA PRO 33 2.008 9.442 -1.178 228 1HB PRO 33 1HB PRO 33 4.340 10.828 -1.423 229 2HB PRO 33 2HB PRO 33 2.757 11.558 -1.846 230 1HG PRO 33 1HG PRO 33 4.261 11.820 0.773 231 2HG PRO 33 2HG PRO 33 3.606 13.146 -0.243 232 1HD PRO 33 1HD PRO 33 2.209 12.159 1.880 233 2HD PRO 33 2HD PRO 33 1.367 12.591 0.361 234 H VAL 34 H VAL 34 3.161 7.570 -1.175 235 HA VAL 34 HA VAL 34 5.247 7.222 0.913 236 HB VAL 34 HB VAL 34 4.395 5.040 1.477 237 1HG1 VAL 34 1HG1 VAL 34 2.025 6.948 1.313 238 2HG1 VAL 34 2HG1 VAL 34 2.262 5.629 2.485 239 3HG1 VAL 34 3HG1 VAL 34 3.317 7.063 2.532 240 1HG2 VAL 34 1HG2 VAL 34 1.880 5.075 0.027 241 2HG2 VAL 34 2HG2 VAL 34 3.243 5.189 -1.112 242 3HG2 VAL 34 3HG2 VAL 34 3.153 3.830 0.035 243 H ALA 35 H ALA 35 6.765 5.459 0.396 244 HA ALA 35 HA ALA 35 6.845 4.855 -2.519 245 1HB ALA 35 1HB ALA 35 8.548 6.613 -1.160 246 2HB ALA 35 2HB ALA 35 9.474 5.096 -1.266 247 3HB ALA 35 3HB ALA 35 8.847 5.861 -2.746 248 H ILE 36 H ILE 36 6.510 2.712 -2.659 249 HA ILE 36 HA ILE 36 8.089 0.972 -0.830 250 HB ILE 36 HB ILE 36 5.158 0.823 -1.580 251 1HG1 ILE 36 1HG1 ILE 36 6.008 0.081 1.120 252 2HG1 ILE 36 2HG1 ILE 36 6.577 1.708 0.676 253 1HG2 ILE 36 1HG2 ILE 36 6.411 -1.360 -2.037 254 2HG2 ILE 36 2HG2 ILE 36 6.785 -1.404 -0.297 255 3HG2 ILE 36 3HG2 ILE 36 5.092 -1.462 -0.846 256 1HD1 ILE 36 1HD1 ILE 36 3.984 0.996 1.526 257 2HD1 ILE 36 2HD1 ILE 36 4.489 2.554 0.830 258 3HD1 ILE 36 3HD1 ILE 36 3.837 1.277 -0.225 259 H TYR 37 H TYR 37 9.582 0.028 -2.097 260 HA TYR 37 HA TYR 37 8.817 -0.666 -4.880 261 1HB TYR 37 1HB TYR 37 11.522 -0.509 -3.508 262 2HB TYR 37 2HB TYR 37 11.255 -0.903 -5.215 263 HD1 TYR 37 1HD TYR 37 10.940 1.779 -2.656 264 HD2 TYR 37 2HD TYR 37 10.889 0.799 -6.838 265 HE1 TYR 37 1HE TYR 37 11.004 4.193 -3.222 266 HE2 TYR 37 2HE TYR 37 10.953 3.213 -7.404 267 HH TYR 37 HH TYR 37 10.147 5.589 -5.686 268 H GLY 38 H GLY 38 8.859 -2.766 -5.620 269 1HA GLY 38 1HA GLY 38 9.013 -5.065 -5.544 270 2HA GLY 38 2HA GLY 38 10.059 -4.914 -4.113 271 H VAL 39 H VAL 39 6.615 -4.404 -5.075 272 HA VAL 39 HA VAL 39 5.716 -4.949 -2.353 273 HB VAL 39 HB VAL 39 4.153 -4.598 -4.942 274 1HG1 VAL 39 1HG1 VAL 39 2.780 -3.728 -2.584 275 2HG1 VAL 39 2HG1 VAL 39 2.351 -5.068 -3.675 276 3HG1 VAL 39 3HG1 VAL 39 3.404 -5.366 -2.271 277 1HG2 VAL 39 1HG2 VAL 39 4.791 -2.580 -2.750 278 2HG2 VAL 39 2HG2 VAL 39 5.644 -2.665 -4.310 279 3HG2 VAL 39 3HG2 VAL 39 3.908 -2.274 -4.265 280 H ASN 40 H ASN 40 5.261 -6.907 -1.539 281 HA ASN 40 HA ASN 40 5.104 -9.179 -3.447 282 1HB ASN 40 1HB ASN 40 5.390 -9.375 -0.445 283 2HB ASN 40 2HB ASN 40 5.866 -10.549 -1.691 284 1HD2 ASN 40 1HD2 ASN 40 7.644 -9.895 -3.193 285 2HD2 ASN 40 2HD2 ASN 40 8.929 -8.886 -2.562 286 H TRP 41 H TRP 41 3.498 -7.717 -0.583 287 HA TRP 41 HA TRP 41 0.908 -8.558 -1.576 288 1HB TRP 41 1HB TRP 41 1.502 -10.663 -0.633 289 2HB TRP 41 2HB TRP 41 2.177 -9.904 0.816 290 HD1 TRP 41 HD TRP 41 0.010 -8.228 1.993 291 HE1 TRP 41 1HE TRP 41 -2.234 -9.132 2.790 292 HE3 TRP 41 3HE TRP 41 -0.148 -12.539 -0.762 293 HZ2 TRP 41 2HZ TRP 41 -3.904 -11.444 2.299 294 HZ3 TRP 41 3HZ TRP 41 -2.078 -14.065 -0.571 295 HH2 TRP 41 HH TRP 41 -3.960 -13.534 0.952 296 H VAL 42 H VAL 42 -0.821 -7.555 -0.426 297 HA VAL 42 HA VAL 42 0.038 -5.610 1.655 298 HB VAL 42 HB VAL 42 -1.639 -5.102 -0.829 299 1HG1 VAL 42 1HG1 VAL 42 -1.426 -3.647 1.806 300 2HG1 VAL 42 2HG1 VAL 42 -1.640 -2.713 0.306 301 3HG1 VAL 42 3HG1 VAL 42 -2.855 -3.924 0.781 302 1HG2 VAL 42 1HG2 VAL 42 0.323 -4.309 -1.609 303 2HG2 VAL 42 2HG2 VAL 42 0.306 -3.095 -0.308 304 3HG2 VAL 42 3HG2 VAL 42 1.119 -4.659 -0.056 305 H GLU 43 H GLU 43 -1.376 -5.369 3.347 306 HA GLU 43 HA GLU 43 -3.707 -7.200 3.317 307 1HB GLU 43 1HB GLU 43 -2.105 -5.859 5.519 308 2HB GLU 43 2HB GLU 43 -3.636 -6.714 5.823 309 1HG GLU 43 1HG GLU 43 -1.639 -8.168 4.159 310 2HG GLU 43 2HG GLU 43 -1.197 -7.927 5.863 311 H SER 44 H SER 44 -5.738 -6.452 4.290 312 HA SER 44 HA SER 44 -6.140 -3.570 4.527 313 1HB SER 44 1HB SER 44 -7.757 -5.033 2.427 314 2HB SER 44 2HB SER 44 -7.591 -3.280 2.689 315 HG SER 44 HG SER 44 -5.792 -5.104 1.538 316 H GLY 45 H GLY 45 -6.688 -4.296 6.681 317 1HA GLY 45 1HA GLY 45 -8.502 -6.249 7.410 318 2HA GLY 45 2HA GLY 45 -8.307 -4.705 8.269 319 H ASN 46 H ASN 46 -10.685 -5.098 8.686 320 HA ASN 46 HA ASN 46 -12.562 -4.930 6.531 321 1HB ASN 46 1HB ASN 46 -12.922 -5.785 8.918 322 2HB ASN 46 2HB ASN 46 -13.016 -4.078 9.405 323 1HD2 ASN 46 1HD2 ASN 46 -15.108 -6.200 9.478 324 2HD2 ASN 46 2HD2 ASN 46 -16.437 -5.588 8.516 325 H ASN 47 H ASN 47 -10.893 -3.062 5.703 326 HA ASN 47 HA ASN 47 -12.470 -0.604 5.989 327 1HB ASN 47 1HB ASN 47 -10.195 0.641 6.300 328 2HB ASN 47 2HB ASN 47 -10.994 -0.073 7.717 329 1HD2 ASN 47 1HD2 ASN 47 -8.498 -0.686 5.211 330 2HD2 ASN 47 2HD2 ASN 47 -7.513 -1.746 6.196 331 H VAL 48 H VAL 48 -12.363 0.691 4.167 332 HA VAL 48 HA VAL 48 -11.050 -0.559 1.847 333 HB VAL 48 HB VAL 48 -12.888 1.860 1.992 334 1HG1 VAL 48 1HG1 VAL 48 -11.326 1.236 -0.063 335 2HG1 VAL 48 2HG1 VAL 48 -12.568 -0.007 -0.351 336 3HG1 VAL 48 3HG1 VAL 48 -13.019 1.715 -0.330 337 1HG2 VAL 48 1HG2 VAL 48 -13.551 -0.704 2.745 338 2HG2 VAL 48 2HG2 VAL 48 -14.694 0.472 2.052 339 3HG2 VAL 48 3HG2 VAL 48 -13.916 -0.738 1.003 340 H VAL 49 H VAL 49 -9.112 0.090 1.136 341 HA VAL 49 HA VAL 49 -8.328 2.918 1.596 342 HB VAL 49 HB VAL 49 -6.756 0.412 2.282 343 1HG1 VAL 49 1HG1 VAL 49 -5.305 2.838 2.809 344 2HG1 VAL 49 2HG1 VAL 49 -4.846 1.482 1.752 345 3HG1 VAL 49 3HG1 VAL 49 -5.794 2.839 1.097 346 1HG2 VAL 49 1HG2 VAL 49 -8.114 1.200 4.103 347 2HG2 VAL 49 2HG2 VAL 49 -6.459 1.769 4.426 348 3HG2 VAL 49 3HG2 VAL 49 -7.677 2.895 3.780 349 H THR 50 H THR 50 -7.243 3.848 -0.103 350 HA THR 50 HA THR 50 -7.034 2.171 -2.534 351 HB THR 50 HB THR 50 -7.372 5.092 -1.937 352 HG1 THR 50 1HG THR 50 -8.364 3.388 -3.978 353 1HG2 THR 50 1HG2 THR 50 -6.009 3.910 -4.387 354 2HG2 THR 50 2HG2 THR 50 -6.775 5.516 -4.382 355 3HG2 THR 50 3HG2 THR 50 -5.396 5.185 -3.306 356 H LEU 51 H LEU 51 -5.120 1.647 -3.454 357 HA LEU 51 HA LEU 51 -2.678 2.752 -2.153 358 1HB LEU 51 1HB LEU 51 -3.352 0.076 -3.395 359 2HB LEU 51 2HB LEU 51 -1.663 0.610 -3.217 360 HG LEU 51 HG LEU 51 -3.727 0.093 -1.059 361 1HD1 LEU 51 1HD1 LEU 51 -2.463 -1.755 -0.809 362 2HD1 LEU 51 2HD1 LEU 51 -1.372 -1.207 -2.104 363 3HD1 LEU 51 3HD1 LEU 51 -1.066 -0.723 -0.418 364 1HD2 LEU 51 1HD2 LEU 51 -1.830 1.062 0.460 365 2HD2 LEU 51 2HD2 LEU 51 -1.308 1.913 -1.014 366 3HD2 LEU 51 3HD2 LEU 51 -2.936 2.197 -0.351 367 H GLN 52 H GLN 52 -1.374 4.008 -3.351 368 HA GLN 52 HA GLN 52 -1.793 3.980 -6.302 369 1HB GLN 52 1HB GLN 52 -1.209 6.168 -4.309 370 2HB GLN 52 2HB GLN 52 -0.703 6.349 -6.006 371 1HG GLN 52 1HG GLN 52 -3.239 5.461 -6.376 372 2HG GLN 52 2HG GLN 52 -3.441 6.289 -4.817 373 1HE2 GLN 52 1HE2 GLN 52 -2.076 6.738 -8.119 374 2HE2 GLN 52 2HE2 GLN 52 -2.416 8.453 -8.215 375 H PHE 53 H PHE 53 -0.215 2.784 -7.215 376 HA PHE 53 HA PHE 53 2.575 3.406 -6.407 377 1HB PHE 53 1HB PHE 53 3.154 1.049 -6.515 378 2HB PHE 53 2HB PHE 53 1.879 1.305 -5.312 379 HD1 PHE 53 1HD PHE 53 -0.450 0.598 -5.781 380 HD2 PHE 53 2HD PHE 53 2.772 -0.272 -8.485 381 HE1 PHE 53 1HE PHE 53 -1.852 -1.114 -6.901 382 HE2 PHE 53 2HE PHE 53 1.370 -1.984 -9.605 383 HZ PHE 53 HZ PHE 53 -0.943 -2.404 -8.813 384 H GLN 54 H GLN 54 4.151 2.958 -8.096 385 HA GLN 54 HA GLN 54 2.906 3.186 -10.785 386 1HB GLN 54 1HB GLN 54 4.648 4.869 -9.633 387 2HB GLN 54 2HB GLN 54 5.815 3.705 -10.303 388 1HG GLN 54 1HG GLN 54 5.012 4.028 -12.527 389 2HG GLN 54 2HG GLN 54 3.553 4.869 -11.959 390 1HE2 GLN 54 1HE2 GLN 54 6.899 5.166 -12.863 391 2HE2 GLN 54 2HE2 GLN 54 7.054 6.890 -12.600 392 H ARG 55 H ARG 55 2.803 1.317 -11.876 393 HA ARG 55 HA ARG 55 4.097 -1.063 -11.216 394 1HB ARG 55 1HB ARG 55 2.470 -0.021 -13.361 395 2HB ARG 55 2HB ARG 55 3.784 -1.010 -14.041 396 1HG ARG 55 1HG ARG 55 2.342 -2.058 -11.625 397 2HG ARG 55 2HG ARG 55 1.496 -2.115 -13.190 398 1HD ARG 55 1HD ARG 55 3.517 -3.239 -14.173 399 2HD ARG 55 2HD ARG 55 4.228 -3.294 -12.546 400 HE ARG 55 HE ARG 55 1.787 -4.484 -12.188 401 1HH1 ARG 55 1HH1 ARG 55 2.420 -7.686 -13.526 402 2HH1 ARG 55 2HH1 ARG 55 1.402 -6.747 -12.457 403 1HH2 ARG 55 1HH2 ARG 55 4.157 -6.660 -14.672 404 2HH2 ARG 55 2HH2 ARG 55 4.449 -4.948 -14.469 405 H ASN 56 H ASN 56 5.024 1.244 -13.841 406 HA ASN 56 HA ASN 56 7.777 0.118 -13.665 407 1HB ASN 56 1HB ASN 56 6.297 1.474 -15.947 408 2HB ASN 56 2HB ASN 56 8.013 1.016 -15.990 409 1HD2 ASN 56 1HD2 ASN 56 8.369 -1.392 -15.189 410 2HD2 ASN 56 2HD2 ASN 56 7.307 -2.568 -15.934 411 H LEU 57 H LEU 57 9.530 1.512 -13.482 412 HA LEU 57 HA LEU 57 8.883 4.139 -12.364 413 1HB LEU 57 1HB LEU 57 10.561 2.792 -11.246 414 2HB LEU 57 2HB LEU 57 11.485 2.612 -12.757 415 HG LEU 57 HG LEU 57 11.919 5.021 -12.822 416 1HD1 LEU 57 1HD1 LEU 57 10.543 6.460 -11.768 417 2HD1 LEU 57 2HD1 LEU 57 9.654 5.085 -11.068 418 3HD1 LEU 57 3HD1 LEU 57 11.036 5.788 -10.194 419 1HD2 LEU 57 1HD2 LEU 57 12.723 4.909 -10.099 420 2HD2 LEU 57 2HD2 LEU 57 12.771 3.236 -10.704 421 3HD2 LEU 57 3HD2 LEU 57 13.697 4.511 -11.534 422 H SER 58 H SER 58 10.975 2.865 -15.020 423 HA SER 58 HA SER 58 11.783 5.266 -16.131 424 1HB SER 58 1HB SER 58 12.214 2.744 -16.783 425 2HB SER 58 2HB SER 58 10.882 3.026 -17.929 426 HG SER 58 HG SER 58 13.017 4.851 -17.704 427 H ASP 59 H ASP 59 8.685 3.528 -16.622 428 HA ASP 59 HA ASP 59 7.707 5.860 -18.183 429 1HB ASP 59 1HB ASP 59 7.551 3.580 -19.195 430 2HB ASP 59 2HB ASP 59 6.509 3.086 -17.843 431 HA PRO 60 HA PRO 60 5.285 7.134 -14.734 432 1HB PRO 60 1HB PRO 60 3.469 8.721 -16.001 433 2HB PRO 60 2HB PRO 60 5.210 9.145 -15.934 434 1HG PRO 60 1HG PRO 60 3.751 7.719 -18.176 435 2HG PRO 60 2HG PRO 60 4.801 9.167 -18.309 436 1HD PRO 60 1HD PRO 60 5.770 6.662 -18.773 437 2HD PRO 60 2HD PRO 60 6.758 7.868 -17.894 438 H ARG 61 H ARG 61 4.791 4.484 -15.517 439 HA ARG 61 HA ARG 61 2.009 4.123 -16.228 440 1HB ARG 61 1HB ARG 61 4.386 2.479 -15.702 441 2HB ARG 61 2HB ARG 61 2.890 1.764 -15.053 442 1HG ARG 61 1HG ARG 61 1.868 2.393 -17.379 443 2HG ARG 61 2HG ARG 61 3.564 2.504 -17.909 444 1HD ARG 61 1HD ARG 61 3.884 0.179 -16.876 445 2HD ARG 61 2HD ARG 61 2.114 0.098 -16.752 446 HE ARG 61 HE ARG 61 3.711 -0.235 -19.138 447 1HH1 ARG 61 1HH1 ARG 61 0.873 -0.183 -21.232 448 2HH1 ARG 61 2HH1 ARG 61 2.574 -0.575 -21.121 449 1HH2 ARG 61 1HH2 ARG 61 -0.242 0.680 -19.389 450 2HH2 ARG 61 2HH2 ARG 61 0.618 0.937 -17.888 451 H LEU 62 H LEU 62 0.722 5.247 -14.753 452 HA LEU 62 HA LEU 62 1.061 4.675 -11.885 453 1HB LEU 62 1HB LEU 62 -0.130 6.766 -13.537 454 2HB LEU 62 2HB LEU 62 -1.256 6.206 -12.278 455 HG LEU 62 HG LEU 62 0.580 8.093 -11.778 456 1HD1 LEU 62 1HD1 LEU 62 0.263 7.628 -9.483 457 2HD1 LEU 62 2HD1 LEU 62 -1.149 6.871 -10.258 458 3HD1 LEU 62 3HD1 LEU 62 0.232 5.869 -9.750 459 1HD2 LEU 62 1HD2 LEU 62 2.348 6.293 -12.503 460 2HD2 LEU 62 2HD2 LEU 62 2.666 7.283 -11.058 461 3HD2 LEU 62 3HD2 LEU 62 2.066 5.616 -10.881 462 H GLU 63 H GLU 63 -0.209 3.318 -10.716 463 HA GLU 63 HA GLU 63 -2.643 2.238 -12.034 464 1HB GLU 63 1HB GLU 63 -0.442 0.630 -10.681 465 2HB GLU 63 2HB GLU 63 -2.008 -0.025 -11.217 466 1HG GLU 63 1HG GLU 63 -0.445 -0.485 -12.976 467 2HG GLU 63 2HG GLU 63 -1.454 0.865 -13.538 468 H THR 64 H THR 64 -4.371 1.995 -10.681 469 HA THR 64 HA THR 64 -3.864 2.618 -7.810 470 HB THR 64 HB THR 64 -6.388 3.283 -7.972 471 HG1 THR 64 1HG THR 64 -7.067 2.883 -9.924 472 1HG2 THR 64 1HG2 THR 64 -3.891 4.685 -8.673 473 2HG2 THR 64 2HG2 THR 64 -5.345 5.456 -9.350 474 3HG2 THR 64 3HG2 THR 64 -5.214 5.189 -7.595 475 H ILE 65 H ILE 65 -4.753 1.305 -6.247 476 HA ILE 65 HA ILE 65 -6.452 -0.947 -7.164 477 HB ILE 65 HB ILE 65 -4.013 -1.629 -7.073 478 1HG1 ILE 65 1HG1 ILE 65 -5.910 -2.903 -5.053 479 2HG1 ILE 65 2HG1 ILE 65 -5.861 -3.252 -6.798 480 1HG2 ILE 65 1HG2 ILE 65 -3.644 -0.089 -5.012 481 2HG2 ILE 65 2HG2 ILE 65 -4.349 -1.422 -4.066 482 3HG2 ILE 65 3HG2 ILE 65 -2.859 -1.687 -5.004 483 1HD1 ILE 65 1HD1 ILE 65 -3.331 -3.773 -6.377 484 2HD1 ILE 65 2HD1 ILE 65 -3.812 -3.903 -4.668 485 3HD1 ILE 65 3HD1 ILE 65 -4.545 -4.977 -5.883 486 H THR 66 H THR 66 -8.206 -1.138 -5.897 487 HA THR 66 HA THR 66 -8.141 0.245 -3.268 488 HB THR 66 HB THR 66 -10.394 -0.574 -5.134 489 HG1 THR 66 1HG THR 66 -9.791 1.349 -5.777 490 1HG2 THR 66 1HG2 THR 66 -11.963 0.028 -3.498 491 2HG2 THR 66 2HG2 THR 66 -10.739 -0.837 -2.537 492 3HG2 THR 66 3HG2 THR 66 -10.768 0.943 -2.547 493 H LEU 67 H LEU 67 -8.030 -0.947 -1.467 494 HA LEU 67 HA LEU 67 -8.496 -3.860 -1.694 495 1HB LEU 67 1HB LEU 67 -7.307 -2.215 0.574 496 2HB LEU 67 2HB LEU 67 -7.300 -3.989 0.427 497 HG LEU 67 HG LEU 67 -6.199 -2.443 -1.884 498 1HD1 LEU 67 1HD1 LEU 67 -4.220 -2.957 0.253 499 2HD1 LEU 67 2HD1 LEU 67 -4.393 -1.553 -0.828 500 3HD1 LEU 67 3HD1 LEU 67 -5.389 -1.672 0.642 501 1HD2 LEU 67 1HD2 LEU 67 -4.577 -4.577 -0.756 502 2HD2 LEU 67 2HD2 LEU 67 -6.264 -5.111 -0.942 503 3HD2 LEU 67 3HD2 LEU 67 -5.367 -4.488 -2.348 504 H GLN 68 H GLN 68 -10.320 -4.774 -0.962 505 HA GLN 68 HA GLN 68 -12.284 -3.095 0.413 506 1HB GLN 68 1HB GLN 68 -12.361 -6.004 -0.483 507 2HB GLN 68 2HB GLN 68 -13.747 -5.065 0.122 508 1HG GLN 68 1HG GLN 68 -12.152 -3.885 -2.123 509 2HG GLN 68 2HG GLN 68 -13.189 -5.277 -2.503 510 1HE2 GLN 68 1HE2 GLN 68 -13.139 -1.972 -1.149 511 2HE2 GLN 68 2HE2 GLN 68 -14.830 -1.626 -1.439 512 H LYS 69 H LYS 69 -13.596 -4.553 2.167 513 HA LYS 69 HA LYS 69 -12.052 -4.528 4.495 514 1HB LYS 69 1HB LYS 69 -14.418 -6.371 4.048 515 2HB LYS 69 2HB LYS 69 -13.919 -5.554 5.549 516 1HG LYS 69 1HG LYS 69 -15.350 -3.894 4.998 517 2HG LYS 69 2HG LYS 69 -14.229 -3.477 3.679 518 1HD LYS 69 1HD LYS 69 -15.404 -5.122 2.207 519 2HD LYS 69 2HD LYS 69 -16.565 -5.430 3.521 520 1HE LYS 69 1HE LYS 69 -17.482 -3.272 3.390 521 2HE LYS 69 2HE LYS 69 -16.051 -2.608 2.574 522 1HZ LYS 69 1HZ LYS 69 -18.214 -3.176 1.292 523 2HZ LYS 69 2HZ LYS 69 -16.731 -3.392 0.604 524 3HZ LYS 69 3HZ LYS 69 -17.546 -4.683 1.227 525 H TRP 70 H TRP 70 -10.663 -5.914 5.470 526 HA TRP 70 HA TRP 70 -9.207 -7.678 5.643 527 1HB TRP 70 1HB TRP 70 -11.574 -9.334 4.737 528 2HB TRP 70 2HB TRP 70 -10.223 -9.845 5.759 529 HD1 TRP 70 HD TRP 70 -13.691 -8.754 5.964 530 HE1 TRP 70 1HE TRP 70 -14.374 -8.118 8.333 531 HE3 TRP 70 3HE TRP 70 -9.045 -8.453 8.090 532 HZ2 TRP 70 2HZ TRP 70 -13.071 -7.546 10.853 533 HZ3 TRP 70 3HZ TRP 70 -8.806 -7.861 10.473 534 HH2 TRP 70 HH TRP 70 -10.804 -7.405 11.865 535 H GLY 71 H GLY 71 -9.342 -6.291 3.055 536 1HA GLY 71 1HA GLY 71 -8.986 -8.432 1.067 537 2HA GLY 71 2HA GLY 71 -8.939 -6.678 0.776 538 H SER 72 H SER 72 -7.021 -8.730 -0.118 539 HA SER 72 HA SER 72 -4.601 -7.524 1.103 540 1HB SER 72 1HB SER 72 -4.416 -10.396 0.362 541 2HB SER 72 2HB SER 72 -3.692 -9.517 1.730 542 HG SER 72 HG SER 72 -5.848 -11.039 1.731 543 H TRP 73 H TRP 73 -2.683 -7.736 -0.301 544 HA TRP 73 HA TRP 73 -3.443 -8.117 -3.157 545 1HB TRP 73 1HB TRP 73 -3.226 -5.712 -2.423 546 2HB TRP 73 2HB TRP 73 -1.527 -6.042 -2.057 547 HD1 TRP 73 HD TRP 73 -3.170 -7.487 -5.178 548 HE1 TRP 73 1HE TRP 73 -2.142 -6.452 -7.265 549 HE3 TRP 73 3HE TRP 73 -0.287 -3.888 -2.958 550 HZ2 TRP 73 2HZ TRP 73 -0.291 -4.321 -7.906 551 HZ3 TRP 73 3HZ TRP 73 1.093 -2.377 -4.337 552 HH2 TRP 73 HH TRP 73 1.102 -2.580 -6.806 553 H ASN 74 H ASN 74 -2.097 -9.384 -4.335 554 HA ASN 74 HA ASN 74 0.591 -9.967 -3.225 555 1HB ASN 74 1HB ASN 74 0.198 -12.390 -3.766 556 2HB ASN 74 2HB ASN 74 -0.779 -11.779 -2.413 557 1HD2 ASN 74 1HD2 ASN 74 -1.846 -13.965 -3.290 558 2HD2 ASN 74 2HD2 ASN 74 -3.180 -13.709 -4.395 559 HA PRO 75 HA PRO 75 0.593 -9.035 -7.759 560 1HB PRO 75 1HB PRO 75 2.605 -7.198 -7.709 561 2HB PRO 75 2HB PRO 75 0.928 -6.775 -7.236 562 1HG PRO 75 1HG PRO 75 3.210 -7.569 -5.404 563 2HG PRO 75 2HG PRO 75 2.162 -6.119 -5.272 564 1HD PRO 75 1HD PRO 75 1.637 -8.386 -3.852 565 2HD PRO 75 2HD PRO 75 0.302 -7.444 -4.584 566 H GLY 76 H GLY 76 3.837 -8.441 -6.438 567 1HA GLY 76 1HA GLY 76 5.108 -10.789 -6.272 568 2HA GLY 76 2HA GLY 76 4.857 -10.694 -8.029 569 H HIS 77 H HIS 77 6.001 -8.649 -5.282 570 HA HIS 77 HA HIS 77 7.814 -7.263 -5.106 571 1HB HIS 77 1HB HIS 77 9.288 -8.958 -5.763 572 2HB HIS 77 2HB HIS 77 8.636 -9.023 -7.411 573 HD1 HIS 77 1HD HIS 77 9.459 -5.556 -6.170 574 HD2 HIS 77 2HD HIS 77 11.255 -8.742 -8.274 575 HE1 HIS 77 1HE HIS 77 11.555 -4.596 -7.307 576 HE2 HIS 77 2HE HIS 77 12.637 -6.540 -8.581 577 H ILE 78 H ILE 78 6.570 -5.390 -5.467 578 HA ILE 78 HA ILE 78 6.272 -4.444 -8.238 579 HB ILE 78 HB ILE 78 5.413 -3.236 -5.579 580 1HG1 ILE 78 1HG1 ILE 78 4.455 -5.530 -6.699 581 2HG1 ILE 78 2HG1 ILE 78 3.447 -4.396 -5.768 582 1HG2 ILE 78 1HG2 ILE 78 5.518 -1.458 -7.143 583 2HG2 ILE 78 2HG2 ILE 78 4.982 -2.494 -8.488 584 3HG2 ILE 78 3HG2 ILE 78 3.826 -2.003 -7.226 585 1HD1 ILE 78 1HD1 ILE 78 2.553 -3.402 -7.715 586 2HD1 ILE 78 2HD1 ILE 78 3.867 -4.021 -8.745 587 3HD1 ILE 78 3HD1 ILE 78 2.619 -5.132 -8.130 588 H HIS 79 H HIS 79 7.091 -2.390 -8.943 589 HA HIS 79 HA HIS 79 9.785 -1.930 -8.427 590 1HB HIS 79 1HB HIS 79 8.910 -0.967 -10.369 591 2HB HIS 79 2HB HIS 79 7.539 -0.239 -9.512 592 HD1 HIS 79 1HD HIS 79 11.353 0.197 -8.859 593 HD2 HIS 79 2HD HIS 79 7.822 2.331 -9.745 594 HE1 HIS 79 1HE HIS 79 11.973 2.691 -8.822 595 HE2 HIS 79 2HE HIS 79 9.821 3.976 -9.360 596 H GLU 80 H GLU 80 7.361 0.558 -7.523 597 HA GLU 80 HA GLU 80 8.197 0.545 -4.739 598 1HB GLU 80 1HB GLU 80 10.090 1.722 -5.885 599 2HB GLU 80 2HB GLU 80 8.927 2.931 -6.481 600 1HG GLU 80 1HG GLU 80 8.444 2.620 -3.691 601 2HG GLU 80 2HG GLU 80 10.203 2.760 -3.894 602 H ILE 81 H ILE 81 6.842 1.845 -3.429 603 HA ILE 81 HA ILE 81 4.247 2.386 -4.648 604 HB ILE 81 HB ILE 81 5.273 2.751 -1.805 605 1HG1 ILE 81 1HG1 ILE 81 5.254 0.396 -2.864 606 2HG1 ILE 81 2HG1 ILE 81 4.349 0.605 -1.345 607 1HG2 ILE 81 1HG2 ILE 81 2.902 3.673 -3.091 608 2HG2 ILE 81 2HG2 ILE 81 2.434 2.286 -2.079 609 3HG2 ILE 81 3HG2 ILE 81 3.270 3.678 -1.350 610 1HD1 ILE 81 1HD1 ILE 81 2.679 1.270 -3.636 611 2HD1 ILE 81 2HD1 ILE 81 3.349 -0.370 -3.802 612 3HD1 ILE 81 3HD1 ILE 81 2.406 0.063 -2.356 613 H LEU 82 H LEU 82 3.323 4.365 -5.032 614 HA LEU 82 HA LEU 82 5.169 6.652 -5.040 615 1HB LEU 82 1HB LEU 82 2.319 6.347 -6.067 616 2HB LEU 82 2HB LEU 82 3.397 7.733 -6.364 617 HG LEU 82 HG LEU 82 3.593 4.903 -7.407 618 1HD1 LEU 82 1HD1 LEU 82 4.516 6.818 -9.252 619 2HD1 LEU 82 2HD1 LEU 82 2.916 6.037 -9.240 620 3HD1 LEU 82 3HD1 LEU 82 3.148 7.604 -8.428 621 1HD2 LEU 82 1HD2 LEU 82 5.872 6.910 -7.135 622 2HD2 LEU 82 2HD2 LEU 82 5.754 5.335 -6.314 623 3HD2 LEU 82 3HD2 LEU 82 5.938 5.405 -8.083 624 H SER 83 H SER 83 1.713 6.203 -4.087 625 HA SER 83 HA SER 83 2.276 7.642 -1.573 626 1HB SER 83 1HB SER 83 1.586 9.252 -3.496 627 2HB SER 83 2HB SER 83 -0.028 8.522 -3.324 628 HG SER 83 HG SER 83 -0.235 9.385 -1.387 629 H ILE 84 H ILE 84 0.183 7.682 -0.205 630 HA ILE 84 HA ILE 84 -1.440 5.251 -0.755 631 HB ILE 84 HB ILE 84 0.126 5.986 1.726 632 1HG1 ILE 84 1HG1 ILE 84 -0.347 3.266 0.476 633 2HG1 ILE 84 2HG1 ILE 84 0.892 4.371 -0.167 634 1HG2 ILE 84 1HG2 ILE 84 -2.527 4.610 1.484 635 2HG2 ILE 84 2HG2 ILE 84 -1.332 3.900 2.595 636 3HG2 ILE 84 3HG2 ILE 84 -1.868 5.582 2.821 637 1HD1 ILE 84 1HD1 ILE 84 1.692 4.567 2.303 638 2HD1 ILE 84 2HD1 ILE 84 0.724 3.098 2.578 639 3HD1 ILE 84 3HD1 ILE 84 2.073 3.071 1.417 640 H ARG 85 H ARG 85 -3.582 5.593 -0.555 641 HA ARG 85 HA ARG 85 -4.437 8.040 0.920 642 1HB ARG 85 1HB ARG 85 -4.766 8.527 -1.382 643 2HB ARG 85 2HB ARG 85 -5.362 6.885 -1.727 644 1HG ARG 85 1HG ARG 85 -7.455 7.309 -0.838 645 2HG ARG 85 2HG ARG 85 -6.836 8.506 0.326 646 1HD ARG 85 1HD ARG 85 -6.240 9.755 -2.021 647 2HD ARG 85 2HD ARG 85 -7.693 8.855 -2.506 648 HE ARG 85 HE ARG 85 -8.281 10.081 -0.045 649 1HH1 ARG 85 1HH1 ARG 85 -9.431 13.140 -1.371 650 2HH1 ARG 85 2HH1 ARG 85 -9.429 12.085 0.024 651 1HH2 ARG 85 1HH2 ARG 85 -8.281 12.528 -3.291 652 2HH2 ARG 85 2HH2 ARG 85 -7.412 11.011 -3.344 653 H ILE 86 H ILE 86 -5.917 7.724 2.489 654 HA ILE 86 HA ILE 86 -7.186 5.030 2.620 655 HB ILE 86 HB ILE 86 -6.601 6.977 4.884 656 1HG1 ILE 86 1HG1 ILE 86 -5.151 4.391 4.201 657 2HG1 ILE 86 2HG1 ILE 86 -4.567 5.993 3.691 658 1HG2 ILE 86 1HG2 ILE 86 -7.809 5.563 6.161 659 2HG2 ILE 86 2HG2 ILE 86 -8.320 4.735 4.670 660 3HG2 ILE 86 3HG2 ILE 86 -6.887 4.165 5.558 661 1HD1 ILE 86 1HD1 ILE 86 -3.599 5.093 5.888 662 2HD1 ILE 86 2HD1 ILE 86 -4.307 6.725 5.958 663 3HD1 ILE 86 3HD1 ILE 86 -5.219 5.332 6.585 664 H TYR 87 H TYR 87 -9.385 4.890 2.772 665 HA TYR 87 HA TYR 87 -10.882 7.352 2.259 666 1HB TYR 87 1HB TYR 87 -11.589 4.410 2.404 667 2HB TYR 87 2HB TYR 87 -12.806 5.676 2.174 668 HD1 TYR 87 1HD TYR 87 -13.440 6.163 0.006 669 HD2 TYR 87 2HD TYR 87 -9.491 4.635 0.730 670 HE1 TYR 87 1HE TYR 87 -12.999 6.145 -2.435 671 HE2 TYR 87 2HE TYR 87 -9.050 4.617 -1.711 672 HH TYR 87 HH TYR 87 -10.774 4.489 -3.951 Start of MODEL 4 1 H MET 1 H MET 1 -4.471 13.291 10.532 2 HA MET 1 HA MET 1 -3.619 12.634 7.935 3 1HB MET 1 1HB MET 1 -1.406 13.271 8.711 4 2HB MET 1 2HB MET 1 -2.609 14.350 9.457 5 1HG MET 1 1HG MET 1 -2.359 12.069 11.142 6 2HG MET 1 2HG MET 1 -0.715 12.581 10.725 7 1HE MET 1 1HE MET 1 -1.233 13.728 14.314 8 2HE MET 1 2HE MET 1 -0.814 12.395 13.212 9 3HE MET 1 3HE MET 1 0.194 13.861 13.259 10 H ILE 2 H ILE 2 -1.842 11.154 7.305 11 HA ILE 2 HA ILE 2 -2.342 8.494 8.453 12 HB ILE 2 HB ILE 2 -2.340 8.908 5.984 13 1HG1 ILE 2 1HG1 ILE 2 -0.033 7.126 6.859 14 2HG1 ILE 2 2HG1 ILE 2 -1.744 6.687 7.076 15 1HG2 ILE 2 1HG2 ILE 2 -0.048 10.402 6.581 16 2HG2 ILE 2 2HG2 ILE 2 0.584 8.949 5.770 17 3HG2 ILE 2 3HG2 ILE 2 -0.626 9.968 4.954 18 1HD1 ILE 2 1HD1 ILE 2 -1.953 7.249 4.524 19 2HD1 ILE 2 2HD1 ILE 2 -0.183 7.063 4.512 20 3HD1 ILE 2 3HD1 ILE 2 -1.217 5.701 5.006 21 H ASN 3 H ASN 3 -0.810 7.224 9.479 22 HA ASN 3 HA ASN 3 1.888 8.387 9.858 23 1HB ASN 3 1HB ASN 3 -0.093 8.663 11.772 24 2HB ASN 3 2HB ASN 3 0.747 7.186 12.291 25 1HD2 ASN 3 1HD2 ASN 3 0.862 9.419 13.910 26 2HD2 ASN 3 2HD2 ASN 3 2.469 10.111 13.863 27 H ARG 4 H ARG 4 3.486 6.823 10.477 28 HA ARG 4 HA ARG 4 2.891 4.174 9.404 29 1HB ARG 4 1HB ARG 4 5.033 5.537 9.039 30 2HB ARG 4 2HB ARG 4 5.459 5.118 10.716 31 1HG ARG 4 1HG ARG 4 5.474 2.775 10.229 32 2HG ARG 4 2HG ARG 4 4.678 3.023 8.656 33 1HD ARG 4 1HD ARG 4 6.722 3.124 7.720 34 2HD ARG 4 2HD ARG 4 6.976 4.653 8.588 35 HE ARG 4 HE ARG 4 7.518 2.421 10.309 36 1HH1 ARG 4 1HH1 ARG 4 11.001 2.566 9.767 37 2HH1 ARG 4 2HH1 ARG 4 9.726 1.937 10.788 38 1HH2 ARG 4 1HH2 ARG 4 10.474 3.885 7.932 39 2HH2 ARG 4 2HH2 ARG 4 8.802 4.251 7.569 40 H THR 5 H THR 5 1.814 2.769 10.676 41 HA THR 5 HA THR 5 2.644 2.627 13.538 42 HB THR 5 HB THR 5 0.307 3.399 13.179 43 HG1 THR 5 1HG THR 5 -0.314 2.186 14.794 44 1HG2 THR 5 1HG2 THR 5 -1.234 1.408 12.376 45 2HG2 THR 5 2HG2 THR 5 -0.434 2.449 11.175 46 3HG2 THR 5 3HG2 THR 5 0.248 0.851 11.563 47 H ASP 6 H ASP 6 2.854 0.540 14.473 48 HA ASP 6 HA ASP 6 3.587 -1.514 12.486 49 1HB ASP 6 1HB ASP 6 4.388 -2.652 14.686 50 2HB ASP 6 2HB ASP 6 5.281 -1.241 14.079 51 H CYS 7 H CYS 7 0.787 -0.916 12.768 52 HA CYS 7 HA CYS 7 -1.235 -1.897 13.276 53 1HB CYS 7 1HB CYS 7 -0.772 -4.598 13.043 54 2HB CYS 7 2HB CYS 7 -1.098 -3.488 11.702 55 H ASN 8 H ASN 8 -1.329 -1.281 15.504 56 HA ASN 8 HA ASN 8 -0.308 -3.197 17.485 57 1HB ASN 8 1HB ASN 8 -1.879 -0.611 17.794 58 2HB ASN 8 2HB ASN 8 -1.122 -1.536 19.108 59 1HD2 ASN 8 1HD2 ASN 8 -0.484 0.344 16.137 60 2HD2 ASN 8 2HD2 ASN 8 1.168 0.765 16.536 61 H GLU 9 H GLU 9 -3.445 -1.890 16.313 62 HA GLU 9 HA GLU 9 -4.950 -3.690 18.041 63 1HB GLU 9 1HB GLU 9 -5.598 -1.643 15.919 64 2HB GLU 9 2HB GLU 9 -6.849 -2.773 16.488 65 1HG GLU 9 1HG GLU 9 -7.111 -0.981 17.967 66 2HG GLU 9 2HG GLU 9 -6.031 -2.058 18.879 67 H ASN 10 H ASN 10 -4.001 -3.491 14.599 68 HA ASN 10 HA ASN 10 -3.744 -5.251 13.113 69 1HB ASN 10 1HB ASN 10 -3.677 -6.633 15.385 70 2HB ASN 10 2HB ASN 10 -5.293 -7.144 14.852 71 1HD2 ASN 10 1HD2 ASN 10 -5.363 -8.924 13.607 72 2HD2 ASN 10 2HD2 ASN 10 -4.064 -9.507 12.588 73 H SER 11 H SER 11 -5.328 -3.679 12.123 74 HA SER 11 HA SER 11 -7.437 -5.064 10.887 75 1HB SER 11 1HB SER 11 -9.393 -3.937 11.967 76 2HB SER 11 2HB SER 11 -8.556 -5.076 13.049 77 HG SER 11 HG SER 11 -7.315 -2.861 13.425 78 H TYR 12 H TYR 12 -5.476 -3.541 9.860 79 HA TYR 12 HA TYR 12 -6.992 -1.270 8.753 80 1HB TYR 12 1HB TYR 12 -4.177 -0.902 9.806 81 2HB TYR 12 2HB TYR 12 -5.282 0.337 9.186 82 HD1 TYR 12 1HD TYR 12 -7.656 0.352 10.512 83 HD2 TYR 12 2HD TYR 12 -3.888 -0.970 12.094 84 HE1 TYR 12 1HE TYR 12 -8.476 0.773 12.815 85 HE2 TYR 12 2HE TYR 12 -4.707 -0.549 14.397 86 HH TYR 12 HH TYR 12 -6.464 0.849 15.563 87 H LEU 13 H LEU 13 -4.817 -0.146 7.328 88 HA LEU 13 HA LEU 13 -4.464 -2.250 5.305 89 1HB LEU 13 1HB LEU 13 -5.107 -0.278 4.269 90 2HB LEU 13 2HB LEU 13 -4.214 0.744 5.421 91 HG LEU 13 HG LEU 13 -2.103 -0.490 4.391 92 1HD1 LEU 13 1HD1 LEU 13 -4.178 -1.617 2.865 93 2HD1 LEU 13 2HD1 LEU 13 -3.441 -0.402 1.793 94 3HD1 LEU 13 3HD1 LEU 13 -2.436 -1.687 2.503 95 1HD2 LEU 13 1HD2 LEU 13 -2.477 1.301 2.362 96 2HD2 LEU 13 2HD2 LEU 13 -3.699 1.869 3.525 97 3HD2 LEU 13 3HD2 LEU 13 -1.990 1.764 4.011 98 H GLU 14 H GLU 14 -2.575 -3.271 4.859 99 HA GLU 14 HA GLU 14 -0.090 -2.185 6.057 100 1HB GLU 14 1HB GLU 14 -0.735 -5.133 6.221 101 2HB GLU 14 2HB GLU 14 0.462 -4.193 7.143 102 1HG GLU 14 1HG GLU 14 -1.328 -3.019 8.332 103 2HG GLU 14 2HG GLU 14 -2.557 -3.854 7.358 104 H ILE 15 H ILE 15 1.744 -2.555 4.840 105 HA ILE 15 HA ILE 15 1.399 -4.203 2.387 106 HB ILE 15 HB ILE 15 2.694 -1.453 2.561 107 1HG1 ILE 15 1HG1 ILE 15 0.256 -2.199 0.932 108 2HG1 ILE 15 2HG1 ILE 15 0.086 -1.730 2.641 109 1HG2 ILE 15 1HG2 ILE 15 3.728 -2.051 0.651 110 2HG2 ILE 15 2HG2 ILE 15 2.964 -3.657 0.715 111 3HG2 ILE 15 3HG2 ILE 15 2.137 -2.311 -0.104 112 1HD1 ILE 15 1HD1 ILE 15 -0.151 0.299 1.406 113 2HD1 ILE 15 2HD1 ILE 15 1.508 0.334 2.048 114 3HD1 ILE 15 3HD1 ILE 15 1.222 -0.097 0.345 115 H HIS 16 H HIS 16 2.906 -5.753 2.317 116 HA HIS 16 HA HIS 16 5.501 -5.216 3.686 117 1HB HIS 16 1HB HIS 16 5.599 -7.599 4.178 118 2HB HIS 16 2HB HIS 16 4.106 -6.902 4.833 119 HD1 HIS 16 1HD HIS 16 5.315 -9.477 2.326 120 HD2 HIS 16 2HD HIS 16 1.769 -7.537 3.536 121 HE1 HIS 16 1HE HIS 16 3.366 -10.810 1.312 122 HE2 HIS 16 2HE HIS 16 1.218 -9.622 2.053 123 H ASN 17 H ASN 17 6.859 -4.657 2.049 124 HA ASN 17 HA ASN 17 6.740 -6.244 -0.454 125 1HB ASN 17 1HB ASN 17 8.328 -4.413 -1.244 126 2HB ASN 17 2HB ASN 17 6.671 -3.898 -0.864 127 1HD2 ASN 17 1HD2 ASN 17 8.586 -1.958 -0.924 128 2HD2 ASN 17 2HD2 ASN 17 8.977 -1.423 0.696 129 H ASN 18 H ASN 18 9.238 -6.157 -1.415 130 HA ASN 18 HA ASN 18 11.280 -7.185 -1.298 131 1HB ASN 18 1HB ASN 18 10.954 -5.959 1.418 132 2HB ASN 18 2HB ASN 18 12.286 -7.109 1.170 133 1HD2 ASN 18 1HD2 ASN 18 11.734 -3.927 1.304 134 2HD2 ASN 18 2HD2 ASN 18 12.846 -3.334 0.088 135 H GLU 19 H GLU 19 8.911 -8.786 -1.093 136 HA GLU 19 HA GLU 19 8.369 -10.976 -0.697 137 1HB GLU 19 1HB GLU 19 11.277 -11.085 0.186 138 2HB GLU 19 2HB GLU 19 10.222 -12.512 0.047 139 1HG GLU 19 1HG GLU 19 9.811 -11.954 -2.339 140 2HG GLU 19 2HG GLU 19 10.905 -10.561 -2.192 141 H GLY 20 H GLY 20 8.277 -8.730 1.396 142 1HA GLY 20 1HA GLY 20 7.112 -8.771 3.434 143 2HA GLY 20 2HA GLY 20 7.482 -10.501 3.611 144 H ARG 21 H ARG 21 9.687 -7.745 2.942 145 HA ARG 21 HA ARG 21 11.342 -8.620 5.227 146 1HB ARG 21 1HB ARG 21 12.281 -8.205 2.899 147 2HB ARG 21 2HB ARG 21 11.931 -6.478 3.155 148 1HG ARG 21 1HG ARG 21 13.429 -7.948 5.304 149 2HG ARG 21 2HG ARG 21 14.303 -7.533 3.810 150 1HD ARG 21 1HD ARG 21 12.735 -5.261 4.593 151 2HD ARG 21 2HD ARG 21 13.632 -5.827 6.018 152 HE ARG 21 HE ARG 21 14.731 -4.611 3.605 153 1HH1 ARG 21 1HH1 ARG 21 18.021 -5.022 4.809 154 2HH1 ARG 21 2HH1 ARG 21 17.012 -4.242 3.611 155 1HH2 ARG 21 1HH2 ARG 21 17.069 -6.427 6.392 156 2HH2 ARG 21 2HH2 ARG 21 15.342 -6.706 6.387 157 H ASP 22 H ASP 22 9.707 -5.694 3.920 158 HA ASP 22 HA ASP 22 9.745 -4.602 6.692 159 1HB ASP 22 1HB ASP 22 10.329 -3.223 4.056 160 2HB ASP 22 2HB ASP 22 9.870 -2.330 5.522 161 H THR 23 H THR 23 7.721 -4.430 7.444 162 HA THR 23 HA THR 23 5.522 -4.187 5.463 163 HB THR 23 HB THR 23 5.280 -4.815 8.419 164 HG1 THR 23 1HG THR 23 5.830 -6.501 6.211 165 1HG2 THR 23 1HG2 THR 23 3.126 -4.486 7.676 166 2HG2 THR 23 2HG2 THR 23 3.544 -4.843 5.984 167 3HG2 THR 23 3HG2 THR 23 3.320 -6.174 7.145 168 H LEU 24 H LEU 24 3.886 -2.607 5.729 169 HA LEU 24 HA LEU 24 4.514 -0.443 7.667 170 1HB LEU 24 1HB LEU 24 3.596 0.160 4.853 171 2HB LEU 24 2HB LEU 24 4.408 1.226 6.024 172 HG LEU 24 HG LEU 24 6.075 -1.079 5.534 173 1HD1 LEU 24 1HD1 LEU 24 4.636 0.017 3.191 174 2HD1 LEU 24 2HD1 LEU 24 6.407 0.008 3.017 175 3HD1 LEU 24 3HD1 LEU 24 5.539 -1.507 3.364 176 1HD2 LEU 24 1HD2 LEU 24 6.547 1.736 4.521 177 2HD2 LEU 24 2HD2 LEU 24 6.560 1.379 6.265 178 3HD2 LEU 24 3HD2 LEU 24 7.722 0.574 5.183 179 H CYS 25 H CYS 25 2.802 -0.506 9.014 180 HA CYS 25 HA CYS 25 0.124 -1.049 7.869 181 1HB CYS 25 1HB CYS 25 0.773 -0.719 10.793 182 2HB CYS 25 2HB CYS 25 -0.534 -1.644 10.036 183 H PHE 26 H PHE 26 -1.128 0.637 7.343 184 HA PHE 26 HA PHE 26 -0.608 3.225 8.719 185 1HB PHE 26 1HB PHE 26 -1.897 2.587 6.045 186 2HB PHE 26 2HB PHE 26 -1.751 4.210 6.740 187 HD1 PHE 26 1HD PHE 26 -0.123 1.617 4.827 188 HD2 PHE 26 2HD PHE 26 0.574 5.148 7.171 189 HE1 PHE 26 1HE PHE 26 2.126 1.849 3.808 190 HE2 PHE 26 2HE PHE 26 2.823 5.381 6.151 191 HZ PHE 26 HZ PHE 26 3.599 3.732 4.470 192 H ALA 27 H ALA 27 -2.482 4.552 9.254 193 HA ALA 27 HA ALA 27 -5.030 3.056 9.474 194 1HB ALA 27 1HB ALA 27 -3.931 2.663 11.601 195 2HB ALA 27 2HB ALA 27 -3.528 4.389 11.760 196 3HB ALA 27 3HB ALA 27 -5.225 3.860 11.847 197 H ASN 28 H ASN 28 -6.752 4.672 10.435 198 HA ASN 28 HA ASN 28 -7.932 6.614 10.158 199 1HB ASN 28 1HB ASN 28 -5.092 7.627 10.048 200 2HB ASN 28 2HB ASN 28 -6.452 8.726 9.732 201 1HD2 ASN 28 1HD2 ASN 28 -5.476 9.774 11.735 202 2HD2 ASN 28 2HD2 ASN 28 -6.066 9.222 13.287 203 H ALA 29 H ALA 29 -8.948 7.750 8.485 204 HA ALA 29 HA ALA 29 -8.596 6.688 5.870 205 1HB ALA 29 1HB ALA 29 -10.181 8.564 5.246 206 2HB ALA 29 2HB ALA 29 -10.749 7.508 6.562 207 3HB ALA 29 3HB ALA 29 -10.081 9.115 6.936 208 H GLY 30 H GLY 30 -6.733 8.928 7.586 209 1HA GLY 30 1HA GLY 30 -6.070 11.010 5.971 210 2HA GLY 30 2HA GLY 30 -4.848 10.066 6.853 211 H THR 31 H THR 31 -4.461 11.380 4.296 212 HA THR 31 HA THR 31 -3.725 8.982 2.720 213 HB THR 31 HB THR 31 -5.283 11.389 1.712 214 HG1 THR 31 1HG THR 31 -6.840 10.009 1.791 215 1HG2 THR 31 1HG2 THR 31 -4.892 9.537 -0.373 216 2HG2 THR 31 2HG2 THR 31 -4.141 11.144 -0.222 217 3HG2 THR 31 3HG2 THR 31 -3.294 9.705 0.393 218 H MET 32 H MET 32 -1.593 9.068 2.371 219 HA MET 32 HA MET 32 -0.379 11.690 1.729 220 1HB MET 32 1HB MET 32 1.296 11.526 3.376 221 2HB MET 32 2HB MET 32 -0.188 11.060 4.241 222 1HG MET 32 1HG MET 32 0.330 8.679 3.830 223 2HG MET 32 2HG MET 32 1.813 9.148 2.982 224 1HE MET 32 1HE MET 32 2.092 7.087 4.661 225 2HE MET 32 2HE MET 32 2.975 7.342 6.186 226 3HE MET 32 3HE MET 32 1.196 7.295 6.185 227 HA PRO 33 HA PRO 33 1.837 9.353 -1.250 228 1HB PRO 33 1HB PRO 33 4.174 10.733 -1.477 229 2HB PRO 33 2HB PRO 33 2.599 11.461 -1.931 230 1HG PRO 33 1HG PRO 33 4.065 11.750 0.707 231 2HG PRO 33 2HG PRO 33 3.427 13.065 -0.333 232 1HD PRO 33 1HD PRO 33 1.998 12.103 1.780 233 2HD PRO 33 2HD PRO 33 1.178 12.519 0.244 234 H VAL 34 H VAL 34 2.934 7.456 -1.170 235 HA VAL 34 HA VAL 34 5.010 7.136 0.935 236 HB VAL 34 HB VAL 34 4.127 5.028 1.594 237 1HG1 VAL 34 1HG1 VAL 34 1.533 6.491 1.175 238 2HG1 VAL 34 2HG1 VAL 34 2.170 5.707 2.641 239 3HG1 VAL 34 3HG1 VAL 34 2.808 7.287 2.128 240 1HG2 VAL 34 1HG2 VAL 34 3.570 4.269 -0.723 241 2HG2 VAL 34 2HG2 VAL 34 2.263 3.932 0.437 242 3HG2 VAL 34 3HG2 VAL 34 2.123 5.305 -0.687 243 H ALA 35 H ALA 35 6.516 5.342 0.467 244 HA ALA 35 HA ALA 35 6.641 4.719 -2.444 245 1HB ALA 35 1HB ALA 35 8.466 6.041 -2.523 246 2HB ALA 35 2HB ALA 35 8.520 6.200 -0.751 247 3HB ALA 35 3HB ALA 35 9.279 4.798 -1.542 248 H ILE 36 H ILE 36 6.305 2.581 -2.611 249 HA ILE 36 HA ILE 36 7.741 0.821 -0.683 250 HB ILE 36 HB ILE 36 4.895 0.664 -1.716 251 1HG1 ILE 36 1HG1 ILE 36 5.409 -0.035 1.060 252 2HG1 ILE 36 2HG1 ILE 36 6.106 1.557 0.679 253 1HG2 ILE 36 1HG2 ILE 36 6.205 -1.517 -2.001 254 2HG2 ILE 36 2HG2 ILE 36 6.390 -1.527 -0.230 255 3HG2 ILE 36 3HG2 ILE 36 4.767 -1.608 -0.956 256 1HD1 ILE 36 1HD1 ILE 36 3.240 0.655 0.622 257 2HD1 ILE 36 2HD1 ILE 36 3.936 2.194 1.184 258 3HD1 ILE 36 3HD1 ILE 36 3.757 1.883 -0.559 259 H TYR 37 H TYR 37 9.339 -0.124 -1.813 260 HA TYR 37 HA TYR 37 8.827 -0.798 -4.660 261 1HB TYR 37 1HB TYR 37 11.316 -0.392 -2.992 262 2HB TYR 37 2HB TYR 37 11.373 -1.192 -4.572 263 HD1 TYR 37 1HD TYR 37 11.187 1.968 -2.812 264 HD2 TYR 37 2HD TYR 37 10.604 0.070 -6.621 265 HE1 TYR 37 1HE TYR 37 11.289 4.180 -3.930 266 HE2 TYR 37 2HE TYR 37 10.706 2.281 -7.739 267 HH TYR 37 HH TYR 37 10.222 4.854 -6.908 268 H GLY 38 H GLY 38 8.693 -2.881 -5.331 269 1HA GLY 38 1HA GLY 38 8.922 -5.187 -5.278 270 2HA GLY 38 2HA GLY 38 9.839 -5.049 -3.761 271 H VAL 39 H VAL 39 6.495 -4.389 -4.965 272 HA VAL 39 HA VAL 39 5.381 -5.028 -2.344 273 HB VAL 39 HB VAL 39 4.002 -4.493 -5.004 274 1HG1 VAL 39 1HG1 VAL 39 2.943 -4.041 -2.198 275 2HG1 VAL 39 2HG1 VAL 39 2.035 -4.147 -3.726 276 3HG1 VAL 39 3HG1 VAL 39 2.759 -5.610 -3.017 277 1HG2 VAL 39 1HG2 VAL 39 4.204 -2.238 -4.621 278 2HG2 VAL 39 2HG2 VAL 39 4.172 -2.431 -2.851 279 3HG2 VAL 39 3HG2 VAL 39 5.671 -2.753 -3.754 280 H ASN 40 H ASN 40 5.096 -7.071 -1.685 281 HA ASN 40 HA ASN 40 4.736 -9.170 -3.753 282 1HB ASN 40 1HB ASN 40 5.729 -9.117 -0.906 283 2HB ASN 40 2HB ASN 40 5.116 -10.629 -1.611 284 1HD2 ASN 40 1HD2 ASN 40 7.008 -7.897 -3.017 285 2HD2 ASN 40 2HD2 ASN 40 8.348 -8.882 -3.564 286 H TRP 41 H TRP 41 3.318 -7.793 -0.768 287 HA TRP 41 HA TRP 41 0.672 -8.610 -1.625 288 1HB TRP 41 1HB TRP 41 1.378 -10.725 -0.717 289 2HB TRP 41 2HB TRP 41 2.018 -9.948 0.737 290 HD1 TRP 41 HD TRP 41 -0.171 -8.379 1.955 291 HE1 TRP 41 1HE TRP 41 -2.407 -9.337 2.712 292 HE3 TRP 41 3HE TRP 41 -0.266 -12.595 -0.945 293 HZ2 TRP 41 2HZ TRP 41 -4.046 -11.651 2.136 294 HZ3 TRP 41 3HZ TRP 41 -2.178 -14.149 -0.814 295 HH2 TRP 41 HH TRP 41 -4.071 -13.694 0.718 296 H VAL 42 H VAL 42 -0.986 -7.611 -0.368 297 HA VAL 42 HA VAL 42 -0.039 -5.749 1.739 298 HB VAL 42 HB VAL 42 -1.453 -5.077 -0.844 299 1HG1 VAL 42 1HG1 VAL 42 -1.567 -3.521 1.775 300 2HG1 VAL 42 2HG1 VAL 42 -2.115 -2.914 0.194 301 3HG1 VAL 42 3HG1 VAL 42 -2.943 -4.295 0.954 302 1HG2 VAL 42 1HG2 VAL 42 0.880 -4.025 0.785 303 2HG2 VAL 42 2HG2 VAL 42 0.874 -4.611 -0.896 304 3HG2 VAL 42 3HG2 VAL 42 0.124 -3.048 -0.496 305 H GLU 43 H GLU 43 -1.415 -5.604 3.449 306 HA GLU 43 HA GLU 43 -3.821 -7.302 3.338 307 1HB GLU 43 1HB GLU 43 -2.163 -6.027 5.516 308 2HB GLU 43 2HB GLU 43 -3.805 -6.622 5.860 309 1HG GLU 43 1HG GLU 43 -3.014 -8.798 4.653 310 2HG GLU 43 2HG GLU 43 -1.376 -8.169 4.932 311 H SER 44 H SER 44 -5.868 -6.506 4.260 312 HA SER 44 HA SER 44 -6.234 -3.609 4.390 313 1HB SER 44 1HB SER 44 -7.838 -5.140 2.329 314 2HB SER 44 2HB SER 44 -7.670 -3.379 2.528 315 HG SER 44 HG SER 44 -5.322 -3.886 2.127 316 H GLY 45 H GLY 45 -6.809 -4.251 6.567 317 1HA GLY 45 1HA GLY 45 -8.641 -6.145 7.368 318 2HA GLY 45 2HA GLY 45 -8.464 -4.555 8.144 319 H ASN 46 H ASN 46 -10.873 -5.067 8.507 320 HA ASN 46 HA ASN 46 -12.687 -4.948 6.303 321 1HB ASN 46 1HB ASN 46 -13.360 -5.854 8.447 322 2HB ASN 46 2HB ASN 46 -13.002 -4.314 9.258 323 1HD2 ASN 46 1HD2 ASN 46 -14.798 -3.207 9.768 324 2HD2 ASN 46 2HD2 ASN 46 -16.255 -3.123 8.802 325 H ASN 47 H ASN 47 -11.063 -3.072 5.456 326 HA ASN 47 HA ASN 47 -12.675 -0.632 5.686 327 1HB ASN 47 1HB ASN 47 -10.405 0.643 5.982 328 2HB ASN 47 2HB ASN 47 -11.227 -0.030 7.407 329 1HD2 ASN 47 1HD2 ASN 47 -8.667 -0.678 4.979 330 2HD2 ASN 47 2HD2 ASN 47 -7.704 -1.717 6.007 331 H VAL 48 H VAL 48 -12.604 0.602 3.830 332 HA VAL 48 HA VAL 48 -11.223 -0.657 1.553 333 HB VAL 48 HB VAL 48 -13.111 1.723 1.569 334 1HG1 VAL 48 1HG1 VAL 48 -13.463 1.106 -0.757 335 2HG1 VAL 48 2HG1 VAL 48 -11.712 1.250 -0.476 336 3HG1 VAL 48 3HG1 VAL 48 -12.470 -0.358 -0.562 337 1HG2 VAL 48 1HG2 VAL 48 -14.844 -0.039 0.966 338 2HG2 VAL 48 2HG2 VAL 48 -13.666 -1.269 1.484 339 3HG2 VAL 48 3HG2 VAL 48 -14.287 -0.082 2.657 340 H VAL 49 H VAL 49 -9.277 0.026 0.903 341 HA VAL 49 HA VAL 49 -8.618 2.902 1.250 342 HB VAL 49 HB VAL 49 -6.895 0.516 2.023 343 1HG1 VAL 49 1HG1 VAL 49 -5.046 1.874 2.043 344 2HG1 VAL 49 2HG1 VAL 49 -5.953 2.751 0.788 345 3HG1 VAL 49 3HG1 VAL 49 -5.987 3.322 2.473 346 1HG2 VAL 49 1HG2 VAL 49 -8.160 2.832 3.537 347 2HG2 VAL 49 2HG2 VAL 49 -8.435 1.090 3.781 348 3HG2 VAL 49 3HG2 VAL 49 -6.869 1.814 4.219 349 H THR 50 H THR 50 -7.406 3.783 -0.415 350 HA THR 50 HA THR 50 -7.094 2.011 -2.773 351 HB THR 50 HB THR 50 -7.559 4.942 -2.328 352 HG1 THR 50 1HG THR 50 -9.126 3.264 -2.976 353 1HG2 THR 50 1HG2 THR 50 -6.702 5.541 -4.486 354 2HG2 THR 50 2HG2 THR 50 -5.401 4.636 -3.675 355 3HG2 THR 50 3HG2 THR 50 -6.401 3.840 -4.914 356 H LEU 51 H LEU 51 -5.130 1.566 -3.649 357 HA LEU 51 HA LEU 51 -2.778 2.773 -2.276 358 1HB LEU 51 1HB LEU 51 -3.329 0.065 -3.497 359 2HB LEU 51 2HB LEU 51 -1.660 0.660 -3.327 360 HG LEU 51 HG LEU 51 -3.712 0.142 -1.152 361 1HD1 LEU 51 1HD1 LEU 51 -1.143 -1.003 -2.094 362 2HD1 LEU 51 2HD1 LEU 51 -1.254 -0.780 -0.332 363 3HD1 LEU 51 3HD1 LEU 51 -2.467 -1.767 -1.181 364 1HD2 LEU 51 1HD2 LEU 51 -2.928 2.226 -0.433 365 2HD2 LEU 51 2HD2 LEU 51 -1.746 1.122 0.310 366 3HD2 LEU 51 3HD2 LEU 51 -1.330 1.997 -1.183 367 H GLN 52 H GLN 52 -1.507 4.096 -3.433 368 HA GLN 52 HA GLN 52 -1.821 4.041 -6.396 369 1HB GLN 52 1HB GLN 52 -1.357 6.245 -4.388 370 2HB GLN 52 2HB GLN 52 -0.814 6.442 -6.071 371 1HG GLN 52 1HG GLN 52 -3.385 5.388 -6.328 372 2HG GLN 52 2HG GLN 52 -3.530 6.504 -4.953 373 1HE2 GLN 52 1HE2 GLN 52 -1.931 6.375 -8.194 374 2HE2 GLN 52 2HE2 GLN 52 -2.354 8.011 -8.654 375 H PHE 53 H PHE 53 -0.182 2.883 -7.253 376 HA PHE 53 HA PHE 53 2.564 3.605 -6.385 377 1HB PHE 53 1HB PHE 53 3.217 1.256 -6.454 378 2HB PHE 53 2HB PHE 53 1.936 1.511 -5.257 379 HD1 PHE 53 1HD PHE 53 -0.367 0.721 -5.695 380 HD2 PHE 53 2HD PHE 53 2.861 -0.107 -8.404 381 HE1 PHE 53 1HE PHE 53 -1.726 -1.051 -6.772 382 HE2 PHE 53 2HE PHE 53 1.502 -1.880 -9.482 383 HZ PHE 53 HZ PHE 53 -0.792 -2.352 -8.666 384 H GLN 54 H GLN 54 4.193 3.182 -8.027 385 HA GLN 54 HA GLN 54 3.013 3.349 -10.745 386 1HB GLN 54 1HB GLN 54 4.743 5.032 -9.562 387 2HB GLN 54 2HB GLN 54 5.912 3.862 -10.219 388 1HG GLN 54 1HG GLN 54 5.150 4.195 -12.451 389 2HG GLN 54 2HG GLN 54 3.674 5.021 -11.907 390 1HE2 GLN 54 1HE2 GLN 54 7.033 5.351 -12.748 391 2HE2 GLN 54 2HE2 GLN 54 7.167 7.076 -12.482 392 H ARG 55 H ARG 55 2.940 1.479 -11.836 393 HA ARG 55 HA ARG 55 4.238 -0.894 -11.110 394 1HB ARG 55 1HB ARG 55 2.595 0.097 -13.270 395 2HB ARG 55 2HB ARG 55 3.912 -0.902 -13.932 396 1HG ARG 55 1HG ARG 55 2.387 -1.855 -11.506 397 2HG ARG 55 2HG ARG 55 1.678 -2.053 -13.127 398 1HD ARG 55 1HD ARG 55 3.863 -3.131 -13.839 399 2HD ARG 55 2HD ARG 55 4.350 -3.113 -12.131 400 HE ARG 55 HE ARG 55 1.943 -4.360 -12.000 401 1HH1 ARG 55 1HH1 ARG 55 2.694 -7.553 -13.297 402 2HH1 ARG 55 2HH1 ARG 55 1.597 -6.625 -12.300 403 1HH2 ARG 55 1HH2 ARG 55 4.497 -6.509 -14.320 404 2HH2 ARG 55 2HH2 ARG 55 4.759 -4.795 -14.093 405 H ASN 56 H ASN 56 5.148 1.425 -13.728 406 HA ASN 56 HA ASN 56 7.899 0.287 -13.586 407 1HB ASN 56 1HB ASN 56 6.267 1.495 -15.827 408 2HB ASN 56 2HB ASN 56 8.040 1.414 -15.914 409 1HD2 ASN 56 1HD2 ASN 56 6.760 0.070 -17.855 410 2HD2 ASN 56 2HD2 ASN 56 6.785 -1.657 -17.570 411 H LEU 57 H LEU 57 9.656 1.677 -13.402 412 HA LEU 57 HA LEU 57 9.019 4.296 -12.259 413 1HB LEU 57 1HB LEU 57 10.695 2.924 -11.160 414 2HB LEU 57 2HB LEU 57 11.621 2.774 -12.673 415 HG LEU 57 HG LEU 57 12.079 5.166 -12.691 416 1HD1 LEU 57 1HD1 LEU 57 10.614 6.577 -11.722 417 2HD1 LEU 57 2HD1 LEU 57 9.780 5.212 -10.941 418 3HD1 LEU 57 3HD1 LEU 57 11.153 5.999 -10.126 419 1HD2 LEU 57 1HD2 LEU 57 12.872 3.372 -10.570 420 2HD2 LEU 57 2HD2 LEU 57 13.811 4.677 -11.335 421 3HD2 LEU 57 3HD2 LEU 57 12.777 5.030 -9.929 422 H SER 58 H SER 58 11.055 3.017 -14.952 423 HA SER 58 HA SER 58 11.900 5.417 -16.044 424 1HB SER 58 1HB SER 58 12.100 2.794 -16.734 425 2HB SER 58 2HB SER 58 10.970 3.363 -17.985 426 HG SER 58 HG SER 58 12.458 4.711 -18.745 427 H ASP 59 H ASP 59 8.805 3.687 -16.658 428 HA ASP 59 HA ASP 59 7.830 6.116 -18.067 429 1HB ASP 59 1HB ASP 59 7.618 4.118 -19.386 430 2HB ASP 59 2HB ASP 59 6.909 3.223 -18.024 431 HA PRO 60 HA PRO 60 5.287 7.110 -14.617 432 1HB PRO 60 1HB PRO 60 3.426 8.689 -15.828 433 2HB PRO 60 2HB PRO 60 5.149 9.176 -15.713 434 1HG PRO 60 1HG PRO 60 3.776 7.811 -18.047 435 2HG PRO 60 2HG PRO 60 4.770 9.304 -18.091 436 1HD PRO 60 1HD PRO 60 5.842 6.865 -18.667 437 2HD PRO 60 2HD PRO 60 6.770 8.062 -17.713 438 H ARG 61 H ARG 61 4.904 4.491 -15.447 439 HA ARG 61 HA ARG 61 2.171 4.031 -16.279 440 1HB ARG 61 1HB ARG 61 4.591 2.514 -15.857 441 2HB ARG 61 2HB ARG 61 3.244 1.733 -14.995 442 1HG ARG 61 1HG ARG 61 1.902 1.668 -17.012 443 2HG ARG 61 2HG ARG 61 3.091 2.657 -17.893 444 1HD ARG 61 1HD ARG 61 4.471 0.888 -18.265 445 2HD ARG 61 2HD ARG 61 4.216 0.225 -16.637 446 HE ARG 61 HE ARG 61 1.823 -0.166 -18.064 447 1HH1 ARG 61 1HH1 ARG 61 2.682 -3.294 -19.449 448 2HH1 ARG 61 2HH1 ARG 61 1.373 -2.202 -19.059 449 1HH2 ARG 61 1HH2 ARG 61 4.873 -2.697 -18.969 450 2HH2 ARG 61 2HH2 ARG 61 5.214 -1.155 -18.215 451 H LEU 62 H LEU 62 1.065 5.396 -14.696 452 HA LEU 62 HA LEU 62 1.220 4.695 -11.885 453 1HB LEU 62 1HB LEU 62 0.051 6.763 -13.551 454 2HB LEU 62 2HB LEU 62 -1.156 6.135 -12.402 455 HG LEU 62 HG LEU 62 0.528 8.071 -11.688 456 1HD1 LEU 62 1HD1 LEU 62 -1.196 6.586 -10.346 457 2HD1 LEU 62 2HD1 LEU 62 0.270 5.780 -9.738 458 3HD1 LEU 62 3HD1 LEU 62 0.035 7.524 -9.467 459 1HD2 LEU 62 1HD2 LEU 62 2.451 6.424 -12.377 460 2HD2 LEU 62 2HD2 LEU 62 2.615 7.361 -10.872 461 3HD2 LEU 62 3HD2 LEU 62 2.117 5.653 -10.807 462 H GLU 63 H GLU 63 -0.094 3.358 -10.717 463 HA GLU 63 HA GLU 63 -2.393 2.127 -12.144 464 1HB GLU 63 1HB GLU 63 -0.286 0.641 -10.526 465 2HB GLU 63 2HB GLU 63 -1.736 -0.074 -11.270 466 1HG GLU 63 1HG GLU 63 0.362 1.449 -12.856 467 2HG GLU 63 2HG GLU 63 0.427 -0.309 -12.607 468 H THR 64 H THR 64 -4.178 1.736 -10.869 469 HA THR 64 HA THR 64 -3.900 2.533 -8.008 470 HB THR 64 HB THR 64 -6.429 3.096 -8.358 471 HG1 THR 64 1HG THR 64 -5.473 3.401 -11.007 472 1HG2 THR 64 1HG2 THR 64 -5.837 5.353 -8.807 473 2HG2 THR 64 2HG2 THR 64 -4.383 4.657 -8.052 474 3HG2 THR 64 3HG2 THR 64 -4.451 4.876 -9.817 475 H ILE 65 H ILE 65 -4.825 1.228 -6.466 476 HA ILE 65 HA ILE 65 -6.391 -1.108 -7.410 477 HB ILE 65 HB ILE 65 -3.897 -1.640 -7.127 478 1HG1 ILE 65 1HG1 ILE 65 -5.813 -3.107 -5.269 479 2HG1 ILE 65 2HG1 ILE 65 -5.812 -3.295 -7.039 480 1HG2 ILE 65 1HG2 ILE 65 -4.628 -1.415 -4.181 481 2HG2 ILE 65 2HG2 ILE 65 -3.041 -1.821 -4.877 482 3HG2 ILE 65 3HG2 ILE 65 -3.698 -0.177 -5.058 483 1HD1 ILE 65 1HD1 ILE 65 -3.557 -3.943 -5.101 484 2HD1 ILE 65 2HD1 ILE 65 -4.455 -5.075 -6.141 485 3HD1 ILE 65 3HD1 ILE 65 -3.344 -3.889 -6.867 486 H THR 66 H THR 66 -8.183 -1.391 -6.206 487 HA THR 66 HA THR 66 -8.343 0.116 -3.651 488 HB THR 66 HB THR 66 -10.515 -1.034 -5.446 489 HG1 THR 66 1HG THR 66 -9.620 1.618 -4.957 490 1HG2 THR 66 1HG2 THR 66 -11.561 -0.969 -3.380 491 2HG2 THR 66 2HG2 THR 66 -10.482 0.302 -2.756 492 3HG2 THR 66 3HG2 THR 66 -11.795 0.723 -3.881 493 H LEU 67 H LEU 67 -8.224 -0.983 -1.792 494 HA LEU 67 HA LEU 67 -8.503 -3.927 -1.891 495 1HB LEU 67 1HB LEU 67 -7.540 -2.145 0.377 496 2HB LEU 67 2HB LEU 67 -7.347 -3.908 0.230 497 HG LEU 67 HG LEU 67 -6.283 -2.075 -1.927 498 1HD1 LEU 67 1HD1 LEU 67 -5.525 -1.674 0.662 499 2HD1 LEU 67 2HD1 LEU 67 -4.408 -2.982 0.204 500 3HD1 LEU 67 3HD1 LEU 67 -4.431 -1.465 -0.726 501 1HD2 LEU 67 1HD2 LEU 67 -4.921 -4.552 -0.946 502 2HD2 LEU 67 2HD2 LEU 67 -6.474 -4.767 -1.788 503 3HD2 LEU 67 3HD2 LEU 67 -5.124 -3.945 -2.607 504 H GLN 68 H GLN 68 -10.304 -4.910 -1.195 505 HA GLN 68 HA GLN 68 -12.416 -3.295 0.024 506 1HB GLN 68 1HB GLN 68 -12.252 -6.226 -0.780 507 2HB GLN 68 2HB GLN 68 -13.719 -5.413 -0.183 508 1HG GLN 68 1HG GLN 68 -12.173 -4.270 -2.516 509 2HG GLN 68 2HG GLN 68 -13.326 -5.598 -2.768 510 1HE2 GLN 68 1HE2 GLN 68 -12.936 -2.225 -1.725 511 2HE2 GLN 68 2HE2 GLN 68 -14.624 -1.781 -1.864 512 H LYS 69 H LYS 69 -13.709 -4.759 1.796 513 HA LYS 69 HA LYS 69 -12.225 -4.536 4.171 514 1HB LYS 69 1HB LYS 69 -14.536 -6.457 3.770 515 2HB LYS 69 2HB LYS 69 -14.099 -5.536 5.230 516 1HG LYS 69 1HG LYS 69 -15.467 -3.879 4.551 517 2HG LYS 69 2HG LYS 69 -14.424 -3.639 3.129 518 1HD LYS 69 1HD LYS 69 -15.712 -5.154 1.803 519 2HD LYS 69 2HD LYS 69 -16.561 -5.797 3.229 520 1HE LYS 69 1HE LYS 69 -16.895 -2.926 3.109 521 2HE LYS 69 2HE LYS 69 -17.357 -3.643 1.550 522 1HZ LYS 69 1HZ LYS 69 -18.444 -5.287 3.368 523 2HZ LYS 69 2HZ LYS 69 -18.647 -3.807 4.067 524 3HZ LYS 69 3HZ LYS 69 -19.239 -4.093 2.554 525 H TRP 70 H TRP 70 -10.695 -5.763 5.103 526 HA TRP 70 HA TRP 70 -9.254 -7.507 5.454 527 1HB TRP 70 1HB TRP 70 -11.592 -9.235 4.599 528 2HB TRP 70 2HB TRP 70 -10.218 -9.716 5.605 529 HD1 TRP 70 HD TRP 70 -13.690 -8.659 5.859 530 HE1 TRP 70 1HE TRP 70 -14.333 -7.980 8.228 531 HE3 TRP 70 3HE TRP 70 -9.006 -8.256 7.882 532 HZ2 TRP 70 2HZ TRP 70 -12.986 -7.337 10.707 533 HZ3 TRP 70 3HZ TRP 70 -8.727 -7.609 10.246 534 HH2 TRP 70 HH TRP 70 -10.701 -7.147 11.669 535 H GLY 71 H GLY 71 -9.497 -6.267 2.748 536 1HA GLY 71 1HA GLY 71 -9.040 -8.460 0.871 537 2HA GLY 71 2HA GLY 71 -8.952 -6.717 0.531 538 H SER 72 H SER 72 -7.047 -8.755 -0.314 539 HA SER 72 HA SER 72 -4.639 -7.611 0.989 540 1HB SER 72 1HB SER 72 -4.378 -10.439 0.203 541 2HB SER 72 2HB SER 72 -3.846 -9.611 1.687 542 HG SER 72 HG SER 72 -5.999 -9.706 2.419 543 H TRP 73 H TRP 73 -2.690 -7.826 -0.370 544 HA TRP 73 HA TRP 73 -3.372 -8.175 -3.249 545 1HB TRP 73 1HB TRP 73 -3.209 -5.772 -2.499 546 2HB TRP 73 2HB TRP 73 -1.517 -6.081 -2.084 547 HD1 TRP 73 HD TRP 73 -3.004 -7.566 -5.254 548 HE1 TRP 73 1HE TRP 73 -1.941 -6.496 -7.307 549 HE3 TRP 73 3HE TRP 73 -0.339 -3.858 -2.942 550 HZ2 TRP 73 2HZ TRP 73 -0.150 -4.298 -7.886 551 HZ3 TRP 73 3HZ TRP 73 1.032 -2.298 -4.276 552 HH2 TRP 73 HH TRP 73 1.137 -2.504 -6.742 553 H ASN 74 H ASN 74 -1.985 -9.433 -4.385 554 HA ASN 74 HA ASN 74 0.688 -9.969 -3.220 555 1HB ASN 74 1HB ASN 74 -0.872 -11.755 -2.467 556 2HB ASN 74 2HB ASN 74 -1.258 -12.107 -4.166 557 1HD2 ASN 74 1HD2 ASN 74 -0.464 -14.305 -3.651 558 2HD2 ASN 74 2HD2 ASN 74 1.258 -14.616 -3.713 559 HA PRO 75 HA PRO 75 0.715 -9.095 -7.775 560 1HB PRO 75 1HB PRO 75 2.622 -7.151 -7.728 561 2HB PRO 75 2HB PRO 75 0.915 -6.811 -7.296 562 1HG PRO 75 1HG PRO 75 3.199 -7.438 -5.404 563 2HG PRO 75 2HG PRO 75 2.071 -6.045 -5.324 564 1HD PRO 75 1HD PRO 75 1.643 -8.307 -3.865 565 2HD PRO 75 2HD PRO 75 0.274 -7.456 -4.643 566 H GLY 76 H GLY 76 3.879 -8.344 -6.311 567 1HA GLY 76 1HA GLY 76 5.240 -10.647 -6.134 568 2HA GLY 76 2HA GLY 76 5.087 -10.501 -7.900 569 H HIS 77 H HIS 77 5.910 -8.427 -5.058 570 HA HIS 77 HA HIS 77 7.637 -6.960 -4.730 571 1HB HIS 77 1HB HIS 77 9.056 -8.850 -5.427 572 2HB HIS 77 2HB HIS 77 8.850 -8.383 -7.125 573 HD1 HIS 77 1HD HIS 77 9.471 -5.355 -7.094 574 HD2 HIS 77 2HD HIS 77 11.497 -8.248 -4.786 575 HE1 HIS 77 1HE HIS 77 11.762 -4.350 -6.503 576 HE2 HIS 77 2HE HIS 77 12.982 -6.117 -5.102 577 H ILE 78 H ILE 78 6.455 -5.097 -5.179 578 HA ILE 78 HA ILE 78 6.262 -4.198 -7.976 579 HB ILE 78 HB ILE 78 5.289 -2.945 -5.377 580 1HG1 ILE 78 1HG1 ILE 78 4.399 -5.279 -6.425 581 2HG1 ILE 78 2HG1 ILE 78 3.322 -4.107 -5.629 582 1HG2 ILE 78 1HG2 ILE 78 5.462 -1.222 -7.018 583 2HG2 ILE 78 2HG2 ILE 78 4.903 -2.300 -8.320 584 3HG2 ILE 78 3HG2 ILE 78 3.762 -1.745 -7.072 585 1HD1 ILE 78 1HD1 ILE 78 3.931 -3.963 -8.600 586 2HD1 ILE 78 2HD1 ILE 78 2.607 -4.966 -7.960 587 3HD1 ILE 78 3HD1 ILE 78 2.592 -3.204 -7.706 588 H HIS 79 H HIS 79 7.290 -2.377 -8.803 589 HA HIS 79 HA HIS 79 9.879 -1.817 -8.150 590 1HB HIS 79 1HB HIS 79 9.091 -0.878 -10.134 591 2HB HIS 79 2HB HIS 79 7.677 -0.150 -9.349 592 HD1 HIS 79 1HD HIS 79 11.462 0.329 -8.565 593 HD2 HIS 79 2HD HIS 79 7.940 2.420 -9.577 594 HE1 HIS 79 1HE HIS 79 12.056 2.830 -8.527 595 HE2 HIS 79 2HE HIS 79 9.909 4.089 -9.143 596 H GLU 80 H GLU 80 7.391 0.648 -7.339 597 HA GLU 80 HA GLU 80 8.186 0.700 -4.544 598 1HB GLU 80 1HB GLU 80 10.033 1.930 -5.834 599 2HB GLU 80 2HB GLU 80 8.804 3.163 -6.202 600 1HG GLU 80 1HG GLU 80 8.423 2.819 -3.507 601 2HG GLU 80 2HG GLU 80 10.174 2.542 -3.644 602 H ILE 81 H ILE 81 6.770 1.969 -3.274 603 HA ILE 81 HA ILE 81 4.187 2.437 -4.546 604 HB ILE 81 HB ILE 81 5.211 2.714 -1.697 605 1HG1 ILE 81 1HG1 ILE 81 5.004 0.409 -2.692 606 2HG1 ILE 81 2HG1 ILE 81 3.912 0.691 -1.315 607 1HG2 ILE 81 1HG2 ILE 81 2.518 3.275 -2.966 608 2HG2 ILE 81 2HG2 ILE 81 2.641 2.768 -1.265 609 3HG2 ILE 81 3HG2 ILE 81 3.433 4.268 -1.806 610 1HD1 ILE 81 1HD1 ILE 81 2.497 1.572 -3.602 611 2HD1 ILE 81 2HD1 ILE 81 3.259 0.034 -4.073 612 3HD1 ILE 81 3HD1 ILE 81 2.192 0.099 -2.650 613 H LEU 82 H LEU 82 3.221 4.392 -4.958 614 HA LEU 82 HA LEU 82 5.011 6.722 -4.950 615 1HB LEU 82 1HB LEU 82 2.182 6.347 -6.011 616 2HB LEU 82 2HB LEU 82 3.233 7.753 -6.304 617 HG LEU 82 HG LEU 82 3.385 4.980 -7.426 618 1HD1 LEU 82 1HD1 LEU 82 2.823 6.430 -9.113 619 2HD1 LEU 82 2HD1 LEU 82 3.562 7.828 -8.296 620 3HD1 LEU 82 3HD1 LEU 82 4.585 6.674 -9.185 621 1HD2 LEU 82 1HD2 LEU 82 5.776 6.679 -6.630 622 2HD2 LEU 82 2HD2 LEU 82 5.473 4.965 -6.260 623 3HD2 LEU 82 3HD2 LEU 82 5.860 5.461 -7.925 624 H SER 83 H SER 83 1.545 6.223 -4.060 625 HA SER 83 HA SER 83 2.040 7.663 -1.533 626 1HB SER 83 1HB SER 83 1.375 9.270 -3.467 627 2HB SER 83 2HB SER 83 -0.235 8.524 -3.330 628 HG SER 83 HG SER 83 -0.044 10.346 -1.984 629 H ILE 84 H ILE 84 -0.078 7.678 -0.207 630 HA ILE 84 HA ILE 84 -1.653 5.221 -0.789 631 HB ILE 84 HB ILE 84 -0.191 6.015 1.738 632 1HG1 ILE 84 1HG1 ILE 84 -0.513 3.399 0.205 633 2HG1 ILE 84 2HG1 ILE 84 0.896 4.483 0.110 634 1HG2 ILE 84 1HG2 ILE 84 -2.597 5.625 2.287 635 2HG2 ILE 84 2HG2 ILE 84 -2.496 4.035 1.492 636 3HG2 ILE 84 3HG2 ILE 84 -1.535 4.361 2.955 637 1HD1 ILE 84 1HD1 ILE 84 -0.095 2.905 2.513 638 2HD1 ILE 84 2HD1 ILE 84 1.481 2.783 1.694 639 3HD1 ILE 84 3HD1 ILE 84 1.085 4.230 2.654 640 H ARG 85 H ARG 85 -3.811 5.502 -0.620 641 HA ARG 85 HA ARG 85 -4.751 7.971 0.765 642 1HB ARG 85 1HB ARG 85 -4.903 8.163 -1.700 643 2HB ARG 85 2HB ARG 85 -5.871 6.669 -1.749 644 1HG ARG 85 1HG ARG 85 -7.413 7.894 -0.029 645 2HG ARG 85 2HG ARG 85 -6.600 9.372 -0.596 646 1HD ARG 85 1HD ARG 85 -7.226 8.832 -2.921 647 2HD ARG 85 2HD ARG 85 -8.019 7.341 -2.368 648 HE ARG 85 HE ARG 85 -9.845 8.587 -1.685 649 1HH1 ARG 85 1HH1 ARG 85 -10.236 12.090 -1.574 650 2HH1 ARG 85 2HH1 ARG 85 -11.044 10.545 -1.428 651 1HH2 ARG 85 1HH2 ARG 85 -7.962 12.173 -2.024 652 2HH2 ARG 85 2HH2 ARG 85 -7.054 10.690 -2.219 653 H ILE 86 H ILE 86 -6.239 7.659 2.325 654 HA ILE 86 HA ILE 86 -7.478 4.952 2.487 655 HB ILE 86 HB ILE 86 -6.885 6.921 4.730 656 1HG1 ILE 86 1HG1 ILE 86 -5.468 4.314 4.050 657 2HG1 ILE 86 2HG1 ILE 86 -4.856 5.916 3.574 658 1HG2 ILE 86 1HG2 ILE 86 -8.117 5.544 6.023 659 2HG2 ILE 86 2HG2 ILE 86 -8.631 4.694 4.546 660 3HG2 ILE 86 3HG2 ILE 86 -7.207 4.126 5.449 661 1HD1 ILE 86 1HD1 ILE 86 -5.592 5.333 6.453 662 2HD1 ILE 86 2HD1 ILE 86 -3.998 4.871 5.809 663 3HD1 ILE 86 3HD1 ILE 86 -4.497 6.580 5.809 664 H TYR 87 H TYR 87 -9.676 4.804 2.620 665 HA TYR 87 HA TYR 87 -11.183 7.260 2.104 666 1HB TYR 87 1HB TYR 87 -11.878 4.315 2.242 667 2HB TYR 87 2HB TYR 87 -13.098 5.577 2.005 668 HD1 TYR 87 1HD TYR 87 -13.779 5.875 -0.177 669 HD2 TYR 87 2HD TYR 87 -9.710 4.735 0.592 670 HE1 TYR 87 1HE TYR 87 -13.324 5.859 -2.614 671 HE2 TYR 87 2HE TYR 87 -9.254 4.720 -1.846 672 HH TYR 87 HH TYR 87 -10.115 5.001 -3.941 Start of MODEL 5 1 H MET 1 H MET 1 -3.152 12.842 10.670 2 HA MET 1 HA MET 1 -3.859 12.542 8.277 3 1HB MET 1 1HB MET 1 -1.490 14.144 8.001 4 2HB MET 1 2HB MET 1 -1.245 12.614 7.124 5 1HG MET 1 1HG MET 1 -2.341 13.812 5.496 6 2HG MET 1 2HG MET 1 -3.728 13.073 6.313 7 1HE MET 1 1HE MET 1 -5.028 14.586 8.470 8 2HE MET 1 2HE MET 1 -5.864 15.798 7.470 9 3HE MET 1 3HE MET 1 -5.637 14.142 6.857 10 H ILE 2 H ILE 2 -2.181 10.909 6.734 11 HA ILE 2 HA ILE 2 -2.318 8.465 8.162 12 HB ILE 2 HB ILE 2 -2.401 8.617 5.711 13 1HG1 ILE 2 1HG1 ILE 2 0.115 7.133 6.570 14 2HG1 ILE 2 2HG1 ILE 2 -1.533 6.548 6.905 15 1HG2 ILE 2 1HG2 ILE 2 -0.845 9.717 4.483 16 2HG2 ILE 2 2HG2 ILE 2 -0.274 10.384 6.032 17 3HG2 ILE 2 3HG2 ILE 2 0.503 8.937 5.346 18 1HD1 ILE 2 1HD1 ILE 2 -1.447 7.292 4.149 19 2HD1 ILE 2 2HD1 ILE 2 0.004 6.314 4.474 20 3HD1 ILE 2 3HD1 ILE 2 -1.611 5.659 4.837 21 H ASN 3 H ASN 3 -0.774 7.213 9.202 22 HA ASN 3 HA ASN 3 1.947 8.353 9.462 23 1HB ASN 3 1HB ASN 3 -0.126 8.128 11.575 24 2HB ASN 3 2HB ASN 3 1.481 7.509 12.012 25 1HD2 ASN 3 1HD2 ASN 3 2.218 9.103 13.372 26 2HD2 ASN 3 2HD2 ASN 3 2.424 10.775 12.898 27 H ARG 4 H ARG 4 3.551 6.814 9.805 28 HA ARG 4 HA ARG 4 2.854 4.115 9.023 29 1HB ARG 4 1HB ARG 4 5.063 5.666 8.727 30 2HB ARG 4 2HB ARG 4 5.545 4.708 10.148 31 1HG ARG 4 1HG ARG 4 4.730 2.650 8.810 32 2HG ARG 4 2HG ARG 4 4.747 3.724 7.390 33 1HD ARG 4 1HD ARG 4 6.942 3.237 7.198 34 2HD ARG 4 2HD ARG 4 7.190 4.234 8.648 35 HE ARG 4 HE ARG 4 7.102 1.282 8.510 36 1HH1 ARG 4 1HH1 ARG 4 8.275 1.147 11.834 37 2HH1 ARG 4 2HH1 ARG 4 7.924 0.221 10.392 38 1HH2 ARG 4 1HH2 ARG 4 7.917 3.440 11.857 39 2HH2 ARG 4 2HH2 ARG 4 7.295 4.243 10.433 40 H THR 5 H THR 5 1.904 2.749 10.424 41 HA THR 5 HA THR 5 2.865 2.810 13.246 42 HB THR 5 HB THR 5 0.512 3.451 13.038 43 HG1 THR 5 1HG THR 5 0.737 0.755 13.899 44 1HG2 THR 5 1HG2 THR 5 -1.069 1.593 12.174 45 2HG2 THR 5 2HG2 THR 5 -0.158 2.518 10.956 46 3HG2 THR 5 3HG2 THR 5 0.381 0.886 11.421 47 H ASP 6 H ASP 6 3.207 0.798 14.301 48 HA ASP 6 HA ASP 6 3.981 -1.338 12.424 49 1HB ASP 6 1HB ASP 6 5.159 -0.275 14.675 50 2HB ASP 6 2HB ASP 6 4.382 -1.736 15.322 51 H CYS 7 H CYS 7 1.160 -0.843 12.732 52 HA CYS 7 HA CYS 7 -0.787 -1.982 13.117 53 1HB CYS 7 1HB CYS 7 0.285 -4.601 13.699 54 2HB CYS 7 2HB CYS 7 -0.629 -4.047 12.287 55 H ASN 8 H ASN 8 -1.422 -1.034 15.053 56 HA ASN 8 HA ASN 8 -0.427 -2.255 17.558 57 1HB ASN 8 1HB ASN 8 -1.807 -0.343 18.557 58 2HB ASN 8 2HB ASN 8 -0.371 0.115 17.617 59 1HD2 ASN 8 1HD2 ASN 8 -0.617 1.039 15.519 60 2HD2 ASN 8 2HD2 ASN 8 -2.145 1.712 14.994 61 H GLU 9 H GLU 9 -3.440 -1.646 15.712 62 HA GLU 9 HA GLU 9 -4.802 -3.580 17.527 63 1HB GLU 9 1HB GLU 9 -5.511 -0.981 16.991 64 2HB GLU 9 2HB GLU 9 -6.457 -1.868 15.773 65 1HG GLU 9 1HG GLU 9 -7.936 -2.119 17.496 66 2HG GLU 9 2HG GLU 9 -6.859 -3.460 17.943 67 H ASN 10 H ASN 10 -6.979 -4.236 16.016 68 HA ASN 10 HA ASN 10 -5.706 -5.711 13.777 69 1HB ASN 10 1HB ASN 10 -7.855 -6.244 15.742 70 2HB ASN 10 2HB ASN 10 -8.211 -6.775 14.084 71 1HD2 ASN 10 1HD2 ASN 10 -7.526 -8.265 16.668 72 2HD2 ASN 10 2HD2 ASN 10 -6.204 -9.321 16.218 73 H SER 11 H SER 11 -7.016 -6.014 11.793 74 HA SER 11 HA SER 11 -8.223 -5.192 10.030 75 1HB SER 11 1HB SER 11 -10.320 -5.030 10.844 76 2HB SER 11 2HB SER 11 -9.749 -4.402 12.409 77 HG SER 11 HG SER 11 -10.018 -2.426 11.723 78 H TYR 12 H TYR 12 -6.354 -4.165 9.178 79 HA TYR 12 HA TYR 12 -6.631 -1.292 8.951 80 1HB TYR 12 1HB TYR 12 -4.571 -2.519 10.739 81 2HB TYR 12 2HB TYR 12 -4.070 -1.163 9.714 82 HD1 TYR 12 1HD TYR 12 -6.516 0.506 9.689 83 HD2 TYR 12 2HD TYR 12 -4.642 -1.639 12.905 84 HE1 TYR 12 1HE TYR 12 -7.492 2.099 11.320 85 HE2 TYR 12 2HE TYR 12 -5.618 -0.046 14.536 86 HH TYR 12 HH TYR 12 -7.966 2.414 13.617 87 H LEU 13 H LEU 13 -4.625 -0.438 7.636 88 HA LEU 13 HA LEU 13 -4.281 -2.352 5.420 89 1HB LEU 13 1HB LEU 13 -4.988 -0.240 4.656 90 2HB LEU 13 2HB LEU 13 -3.915 0.629 5.780 91 HG LEU 13 HG LEU 13 -2.019 -0.688 4.450 92 1HD1 LEU 13 1HD1 LEU 13 -4.458 -0.739 2.660 93 2HD1 LEU 13 2HD1 LEU 13 -2.826 -0.622 1.958 94 3HD1 LEU 13 3HD1 LEU 13 -3.264 -2.023 2.965 95 1HD2 LEU 13 1HD2 LEU 13 -2.594 1.350 2.621 96 2HD2 LEU 13 2HD2 LEU 13 -3.376 1.893 4.126 97 3HD2 LEU 13 3HD2 LEU 13 -1.637 1.517 4.112 98 H GLU 14 H GLU 14 -2.405 -3.377 4.973 99 HA GLU 14 HA GLU 14 0.085 -2.344 6.203 100 1HB GLU 14 1HB GLU 14 -0.608 -5.288 6.295 101 2HB GLU 14 2HB GLU 14 0.641 -4.405 7.205 102 1HG GLU 14 1HG GLU 14 -1.033 -3.264 8.527 103 2HG GLU 14 2HG GLU 14 -2.344 -3.905 7.513 104 H ILE 15 H ILE 15 1.909 -2.677 4.965 105 HA ILE 15 HA ILE 15 1.555 -4.267 2.475 106 HB ILE 15 HB ILE 15 2.821 -1.509 2.713 107 1HG1 ILE 15 1HG1 ILE 15 0.406 -2.276 1.055 108 2HG1 ILE 15 2HG1 ILE 15 0.225 -1.809 2.763 109 1HG2 ILE 15 1HG2 ILE 15 2.374 -2.197 0.028 110 2HG2 ILE 15 2HG2 ILE 15 3.945 -2.159 0.863 111 3HG2 ILE 15 3HG2 ILE 15 3.028 -3.681 0.763 112 1HD1 ILE 15 1HD1 ILE 15 0.947 -0.153 0.398 113 2HD1 ILE 15 2HD1 ILE 15 0.109 0.306 1.900 114 3HD1 ILE 15 3HD1 ILE 15 1.884 0.174 1.875 115 H HIS 16 H HIS 16 3.074 -5.803 2.346 116 HA HIS 16 HA HIS 16 5.673 -5.288 3.718 117 1HB HIS 16 1HB HIS 16 5.785 -7.688 4.142 118 2HB HIS 16 2HB HIS 16 4.302 -7.007 4.837 119 HD1 HIS 16 1HD HIS 16 5.464 -9.590 2.350 120 HD2 HIS 16 2HD HIS 16 1.951 -7.531 3.455 121 HE1 HIS 16 1HE HIS 16 3.501 -10.870 1.295 122 HE2 HIS 16 2HE HIS 16 1.373 -9.609 1.972 123 H ASN 17 H ASN 17 7.011 -4.677 2.083 124 HA ASN 17 HA ASN 17 6.890 -6.211 -0.454 125 1HB ASN 17 1HB ASN 17 8.380 -4.363 -1.274 126 2HB ASN 17 2HB ASN 17 6.780 -3.816 -0.728 127 1HD2 ASN 17 1HD2 ASN 17 8.537 -1.841 -0.840 128 2HD2 ASN 17 2HD2 ASN 17 9.168 -1.414 0.736 129 H ASN 18 H ASN 18 9.404 -6.031 -1.416 130 HA ASN 18 HA ASN 18 11.450 -7.052 -1.338 131 1HB ASN 18 1HB ASN 18 11.120 -5.903 1.411 132 2HB ASN 18 2HB ASN 18 12.467 -7.026 1.126 133 1HD2 ASN 18 1HD2 ASN 18 11.954 -3.880 1.410 134 2HD2 ASN 18 2HD2 ASN 18 13.020 -3.231 0.181 135 H GLU 19 H GLU 19 9.064 -8.668 -1.114 136 HA GLU 19 HA GLU 19 8.547 -10.873 -0.771 137 1HB GLU 19 1HB GLU 19 11.491 -10.957 -0.030 138 2HB GLU 19 2HB GLU 19 10.454 -12.403 -0.070 139 1HG GLU 19 1HG GLU 19 9.915 -11.984 -2.426 140 2HG GLU 19 2HG GLU 19 10.868 -10.485 -2.400 141 H GLY 20 H GLY 20 8.375 -8.726 1.351 142 1HA GLY 20 1HA GLY 20 7.304 -8.831 3.427 143 2HA GLY 20 2HA GLY 20 7.713 -10.557 3.550 144 H ARG 21 H ARG 21 9.838 -7.732 2.908 145 HA ARG 21 HA ARG 21 11.537 -8.617 5.165 146 1HB ARG 21 1HB ARG 21 12.419 -8.209 2.789 147 2HB ARG 21 2HB ARG 21 12.146 -6.478 3.103 148 1HG ARG 21 1HG ARG 21 13.621 -8.052 5.188 149 2HG ARG 21 2HG ARG 21 14.484 -7.671 3.678 150 1HD ARG 21 1HD ARG 21 13.364 -5.257 4.170 151 2HD ARG 21 2HD ARG 21 13.502 -5.853 5.838 152 HE ARG 21 HE ARG 21 15.753 -5.416 5.715 153 1HH1 ARG 21 1HH1 ARG 21 17.909 -5.223 2.929 154 2HH1 ARG 21 2HH1 ARG 21 17.782 -5.060 4.666 155 1HH2 ARG 21 1HH2 ARG 21 16.041 -5.797 1.678 156 2HH2 ARG 21 2HH2 ARG 21 14.505 -6.066 2.471 157 H ASP 22 H ASP 22 9.887 -5.711 3.841 158 HA ASP 22 HA ASP 22 10.004 -4.560 6.588 159 1HB ASP 22 1HB ASP 22 10.424 -3.230 3.894 160 2HB ASP 22 2HB ASP 22 10.043 -2.318 5.371 161 H THR 23 H THR 23 8.007 -4.465 7.422 162 HA THR 23 HA THR 23 5.721 -4.267 5.536 163 HB THR 23 HB THR 23 5.689 -4.946 8.497 164 HG1 THR 23 1HG THR 23 6.015 -6.545 6.186 165 1HG2 THR 23 1HG2 THR 23 3.734 -5.066 6.189 166 2HG2 THR 23 2HG2 THR 23 3.549 -6.147 7.591 167 3HG2 THR 23 3HG2 THR 23 3.504 -4.382 7.816 168 H LEU 24 H LEU 24 4.107 -2.693 5.815 169 HA LEU 24 HA LEU 24 4.728 -0.541 7.770 170 1HB LEU 24 1HB LEU 24 3.771 0.087 4.976 171 2HB LEU 24 2HB LEU 24 4.601 1.141 6.147 172 HG LEU 24 HG LEU 24 6.304 -1.105 5.657 173 1HD1 LEU 24 1HD1 LEU 24 6.532 -1.212 3.316 174 2HD1 LEU 24 2HD1 LEU 24 4.767 -1.159 3.537 175 3HD1 LEU 24 3HD1 LEU 24 5.649 0.313 3.065 176 1HD2 LEU 24 1HD2 LEU 24 6.979 1.396 4.265 177 2HD2 LEU 24 2HD2 LEU 24 6.445 1.666 5.941 178 3HD2 LEU 24 3HD2 LEU 24 7.816 0.581 5.608 179 H CYS 25 H CYS 25 3.026 -0.502 9.113 180 HA CYS 25 HA CYS 25 0.347 -1.143 8.014 181 1HB CYS 25 1HB CYS 25 1.187 -0.784 10.903 182 2HB CYS 25 2HB CYS 25 -0.303 -1.522 10.291 183 H PHE 26 H PHE 26 -0.966 0.494 7.482 184 HA PHE 26 HA PHE 26 -0.462 3.136 8.762 185 1HB PHE 26 1HB PHE 26 -1.748 2.382 6.117 186 2HB PHE 26 2HB PHE 26 -1.671 4.030 6.765 187 HD1 PHE 26 1HD PHE 26 0.067 1.448 4.930 188 HD2 PHE 26 2HD PHE 26 0.609 5.082 7.156 189 HE1 PHE 26 1HE PHE 26 2.303 1.746 3.899 190 HE2 PHE 26 2HE PHE 26 2.845 5.379 6.125 191 HZ PHE 26 HZ PHE 26 3.692 3.712 4.496 192 H ALA 27 H ALA 27 -2.318 4.424 9.355 193 HA ALA 27 HA ALA 27 -4.866 2.933 9.587 194 1HB ALA 27 1HB ALA 27 -4.566 2.590 11.785 195 2HB ALA 27 2HB ALA 27 -3.012 3.458 11.747 196 3HB ALA 27 3HB ALA 27 -4.526 4.355 12.014 197 H ASN 28 H ASN 28 -6.579 4.529 10.574 198 HA ASN 28 HA ASN 28 -7.750 6.485 10.354 199 1HB ASN 28 1HB ASN 28 -4.906 7.486 10.236 200 2HB ASN 28 2HB ASN 28 -6.262 8.597 9.948 201 1HD2 ASN 28 1HD2 ASN 28 -5.257 9.603 11.962 202 2HD2 ASN 28 2HD2 ASN 28 -5.841 9.030 13.510 203 H ALA 29 H ALA 29 -8.771 7.668 8.714 204 HA ALA 29 HA ALA 29 -8.466 6.647 6.078 205 1HB ALA 29 1HB ALA 29 -10.275 8.020 5.546 206 2HB ALA 29 2HB ALA 29 -10.484 7.808 7.301 207 3HB ALA 29 3HB ALA 29 -9.761 9.305 6.666 208 H GLY 30 H GLY 30 -6.599 8.898 7.817 209 1HA GLY 30 1HA GLY 30 -5.905 10.969 6.223 210 2HA GLY 30 2HA GLY 30 -4.686 9.994 7.076 211 H THR 31 H THR 31 -4.323 11.347 4.530 212 HA THR 31 HA THR 31 -3.610 8.969 2.918 213 HB THR 31 HB THR 31 -5.217 11.366 1.964 214 HG1 THR 31 1HG THR 31 -6.486 9.718 2.689 215 1HG2 THR 31 1HG2 THR 31 -4.829 10.669 -0.282 216 2HG2 THR 31 2HG2 THR 31 -3.222 10.672 0.483 217 3HG2 THR 31 3HG2 THR 31 -4.089 9.136 0.238 218 H MET 32 H MET 32 -1.484 9.075 2.544 219 HA MET 32 HA MET 32 -0.303 11.707 1.881 220 1HB MET 32 1HB MET 32 1.430 11.525 3.492 221 2HB MET 32 2HB MET 32 -0.063 11.145 4.383 222 1HG MET 32 1HG MET 32 0.364 8.723 3.993 223 2HG MET 32 2HG MET 32 1.890 9.140 3.197 224 1HE MET 32 1HE MET 32 1.387 7.090 5.651 225 2HE MET 32 2HE MET 32 2.971 7.309 4.868 226 3HE MET 32 3HE MET 32 2.831 7.409 6.640 227 HA PRO 33 HA PRO 33 1.896 9.377 -1.115 228 1HB PRO 33 1HB PRO 33 4.212 10.786 -1.386 229 2HB PRO 33 2HB PRO 33 2.620 11.490 -1.822 230 1HG PRO 33 1HG PRO 33 4.120 11.816 0.793 231 2HG PRO 33 2HG PRO 33 3.450 13.116 -0.247 232 1HD PRO 33 1HD PRO 33 2.065 12.150 1.893 233 2HD PRO 33 2HD PRO 33 1.217 12.545 0.367 234 H VAL 34 H VAL 34 3.095 7.531 -1.098 235 HA VAL 34 HA VAL 34 5.193 7.245 0.982 236 HB VAL 34 HB VAL 34 4.353 5.126 1.688 237 1HG1 VAL 34 1HG1 VAL 34 1.986 5.694 2.381 238 2HG1 VAL 34 2HG1 VAL 34 3.177 6.966 2.744 239 3HG1 VAL 34 3HG1 VAL 34 2.090 7.137 1.344 240 1HG2 VAL 34 1HG2 VAL 34 2.514 5.412 -0.713 241 2HG2 VAL 34 2HG2 VAL 34 3.676 4.110 -0.359 242 3HG2 VAL 34 3HG2 VAL 34 2.183 4.255 0.599 243 H ALA 35 H ALA 35 6.672 5.411 0.505 244 HA ALA 35 HA ALA 35 6.733 4.776 -2.405 245 1HB ALA 35 1HB ALA 35 8.497 6.219 -2.431 246 2HB ALA 35 2HB ALA 35 8.746 6.113 -0.672 247 3HB ALA 35 3HB ALA 35 9.372 4.832 -1.738 248 H ILE 36 H ILE 36 6.407 2.639 -2.578 249 HA ILE 36 HA ILE 36 7.869 0.875 -0.676 250 HB ILE 36 HB ILE 36 4.989 0.711 -1.624 251 1HG1 ILE 36 1HG1 ILE 36 5.565 0.122 1.166 252 2HG1 ILE 36 2HG1 ILE 36 6.255 1.697 0.707 253 1HG2 ILE 36 1HG2 ILE 36 6.330 -1.476 -1.836 254 2HG2 ILE 36 2HG2 ILE 36 6.492 -1.420 -0.064 255 3HG2 ILE 36 3HG2 ILE 36 4.878 -1.530 -0.808 256 1HD1 ILE 36 1HD1 ILE 36 3.391 0.805 0.770 257 2HD1 ILE 36 2HD1 ILE 36 4.104 2.373 1.218 258 3HD1 ILE 36 3HD1 ILE 36 3.871 1.959 -0.497 259 H TYR 37 H TYR 37 9.422 -0.070 -1.872 260 HA TYR 37 HA TYR 37 8.775 -0.784 -4.683 261 1HB TYR 37 1HB TYR 37 11.480 -0.784 -3.320 262 2HB TYR 37 2HB TYR 37 11.134 -0.819 -5.058 263 HD1 TYR 37 1HD TYR 37 10.963 1.306 -2.002 264 HD2 TYR 37 2HD TYR 37 10.828 1.181 -6.294 265 HE1 TYR 37 1HE TYR 37 11.098 3.781 -2.079 266 HE2 TYR 37 2HE TYR 37 10.964 3.656 -6.370 267 HH TYR 37 HH TYR 37 10.417 5.638 -4.797 268 H GLY 38 H GLY 38 8.621 -2.879 -5.308 269 1HA GLY 38 1HA GLY 38 8.945 -5.183 -5.234 270 2HA GLY 38 2HA GLY 38 9.848 -5.001 -3.713 271 H VAL 39 H VAL 39 6.501 -4.347 -4.915 272 HA VAL 39 HA VAL 39 5.393 -5.021 -2.302 273 HB VAL 39 HB VAL 39 3.986 -4.475 -4.944 274 1HG1 VAL 39 1HG1 VAL 39 2.066 -4.005 -3.580 275 2HG1 VAL 39 2HG1 VAL 39 2.718 -5.558 -3.005 276 3HG1 VAL 39 3HG1 VAL 39 3.030 -4.066 -2.085 277 1HG2 VAL 39 1HG2 VAL 39 4.623 -2.523 -2.698 278 2HG2 VAL 39 2HG2 VAL 39 5.611 -2.674 -4.171 279 3HG2 VAL 39 3HG2 VAL 39 3.912 -2.157 -4.288 280 H ASN 40 H ASN 40 5.117 -7.073 -1.668 281 HA ASN 40 HA ASN 40 4.738 -9.144 -3.761 282 1HB ASN 40 1HB ASN 40 5.757 -9.134 -0.922 283 2HB ASN 40 2HB ASN 40 5.145 -10.635 -1.648 284 1HD2 ASN 40 1HD2 ASN 40 6.997 -7.878 -3.052 285 2HD2 ASN 40 2HD2 ASN 40 8.344 -8.845 -3.614 286 H TRP 41 H TRP 41 3.352 -7.806 -0.744 287 HA TRP 41 HA TRP 41 0.697 -8.613 -1.581 288 1HB TRP 41 1HB TRP 41 1.427 -10.741 -0.710 289 2HB TRP 41 2HB TRP 41 2.060 -9.979 0.755 290 HD1 TRP 41 HD TRP 41 -0.148 -8.433 1.982 291 HE1 TRP 41 1HE TRP 41 -2.375 -9.419 2.727 292 HE3 TRP 41 3HE TRP 41 -0.195 -12.629 -0.949 293 HZ2 TRP 41 2HZ TRP 41 -3.990 -11.745 2.131 294 HZ3 TRP 41 3HZ TRP 41 -2.091 -14.203 -0.833 295 HH2 TRP 41 HH TRP 41 -3.992 -13.778 0.698 296 H VAL 42 H VAL 42 -0.940 -7.598 -0.333 297 HA VAL 42 HA VAL 42 0.034 -5.768 1.795 298 HB VAL 42 HB VAL 42 -1.436 -5.086 -0.753 299 1HG1 VAL 42 1HG1 VAL 42 -1.894 -2.845 0.460 300 2HG1 VAL 42 2HG1 VAL 42 -2.959 -4.216 0.850 301 3HG1 VAL 42 3HG1 VAL 42 -1.651 -3.759 1.967 302 1HG2 VAL 42 1HG2 VAL 42 0.939 -4.665 -0.752 303 2HG2 VAL 42 2HG2 VAL 42 0.132 -3.093 -0.535 304 3HG2 VAL 42 3HG2 VAL 42 0.864 -3.918 0.862 305 H GLU 43 H GLU 43 -1.321 -5.617 3.528 306 HA GLU 43 HA GLU 43 -3.717 -7.337 3.452 307 1HB GLU 43 1HB GLU 43 -2.496 -5.863 5.811 308 2HB GLU 43 2HB GLU 43 -3.623 -7.240 5.848 309 1HG GLU 43 1HG GLU 43 -1.431 -8.041 4.229 310 2HG GLU 43 2HG GLU 43 -0.731 -7.251 5.659 311 H SER 44 H SER 44 -5.753 -6.564 4.384 312 HA SER 44 HA SER 44 -6.130 -3.678 4.613 313 1HB SER 44 1HB SER 44 -7.689 -5.147 2.468 314 2HB SER 44 2HB SER 44 -7.583 -3.394 2.759 315 HG SER 44 HG SER 44 -5.551 -3.376 1.975 316 H GLY 45 H GLY 45 -6.724 -4.397 6.756 317 1HA GLY 45 1HA GLY 45 -8.563 -6.331 7.461 318 2HA GLY 45 2HA GLY 45 -8.382 -4.779 8.312 319 H ASN 46 H ASN 46 -10.780 -5.213 8.666 320 HA ASN 46 HA ASN 46 -12.598 -5.026 6.465 321 1HB ASN 46 1HB ASN 46 -13.150 -5.960 8.702 322 2HB ASN 46 2HB ASN 46 -13.003 -4.331 9.398 323 1HD2 ASN 46 1HD2 ASN 46 -15.380 -5.975 9.460 324 2HD2 ASN 46 2HD2 ASN 46 -16.619 -5.139 8.548 325 H ASN 47 H ASN 47 -10.952 -3.152 5.663 326 HA ASN 47 HA ASN 47 -12.527 -0.695 5.967 327 1HB ASN 47 1HB ASN 47 -10.240 0.539 6.285 328 2HB ASN 47 2HB ASN 47 -11.058 -0.167 7.695 329 1HD2 ASN 47 1HD2 ASN 47 -8.529 -0.775 5.226 330 2HD2 ASN 47 2HD2 ASN 47 -7.569 -1.855 6.215 331 H VAL 48 H VAL 48 -12.406 0.625 4.160 332 HA VAL 48 HA VAL 48 -11.101 -0.613 1.828 333 HB VAL 48 HB VAL 48 -12.930 1.812 2.008 334 1HG1 VAL 48 1HG1 VAL 48 -13.282 1.355 -0.389 335 2HG1 VAL 48 2HG1 VAL 48 -11.554 1.626 -0.056 336 3HG1 VAL 48 3HG1 VAL 48 -12.165 -0.028 -0.301 337 1HG2 VAL 48 1HG2 VAL 48 -14.088 -0.617 0.894 338 2HG2 VAL 48 2HG2 VAL 48 -13.517 -0.898 2.557 339 3HG2 VAL 48 3HG2 VAL 48 -14.682 0.405 2.224 340 H VAL 49 H VAL 49 -9.134 0.008 1.177 341 HA VAL 49 HA VAL 49 -8.342 2.835 1.629 342 HB VAL 49 HB VAL 49 -6.781 0.326 2.334 343 1HG1 VAL 49 1HG1 VAL 49 -5.372 2.776 2.906 344 2HG1 VAL 49 2HG1 VAL 49 -4.862 1.416 1.878 345 3HG1 VAL 49 3HG1 VAL 49 -5.806 2.754 1.180 346 1HG2 VAL 49 1HG2 VAL 49 -6.540 1.653 4.499 347 2HG2 VAL 49 2HG2 VAL 49 -7.743 2.789 3.841 348 3HG2 VAL 49 3HG2 VAL 49 -8.189 1.090 4.131 349 H THR 50 H THR 50 -7.297 3.759 -0.084 350 HA THR 50 HA THR 50 -7.006 2.048 -2.483 351 HB THR 50 HB THR 50 -7.359 4.995 -1.961 352 HG1 THR 50 1HG THR 50 -8.522 3.004 -3.608 353 1HG2 THR 50 1HG2 THR 50 -5.477 5.029 -3.443 354 2HG2 THR 50 2HG2 THR 50 -6.119 3.675 -4.403 355 3HG2 THR 50 3HG2 THR 50 -6.909 5.268 -4.472 356 H LEU 51 H LEU 51 -5.065 1.603 -3.404 357 HA LEU 51 HA LEU 51 -2.675 2.768 -2.062 358 1HB LEU 51 1HB LEU 51 -3.268 0.086 -3.322 359 2HB LEU 51 2HB LEU 51 -1.592 0.666 -3.165 360 HG LEU 51 HG LEU 51 -3.616 0.118 -0.971 361 1HD1 LEU 51 1HD1 LEU 51 -1.231 -1.146 -2.056 362 2HD1 LEU 51 2HD1 LEU 51 -0.997 -0.745 -0.338 363 3HD1 LEU 51 3HD1 LEU 51 -2.372 -1.760 -0.836 364 1HD2 LEU 51 1HD2 LEU 51 -1.217 1.953 -0.995 365 2HD2 LEU 51 2HD2 LEU 51 -2.808 2.190 -0.233 366 3HD2 LEU 51 3HD2 LEU 51 -1.635 1.060 0.487 367 H GLN 52 H GLN 52 -1.425 4.105 -3.224 368 HA GLN 52 HA GLN 52 -1.798 4.094 -6.182 369 1HB GLN 52 1HB GLN 52 -1.285 6.272 -4.155 370 2HB GLN 52 2HB GLN 52 -0.793 6.490 -5.851 371 1HG GLN 52 1HG GLN 52 -3.372 5.434 -6.037 372 2HG GLN 52 2HG GLN 52 -3.472 6.544 -4.652 373 1HE2 GLN 52 1HE2 GLN 52 -1.595 6.611 -7.737 374 2HE2 GLN 52 2HE2 GLN 52 -2.177 8.179 -8.255 375 H PHE 53 H PHE 53 -0.179 2.920 -7.062 376 HA PHE 53 HA PHE 53 2.584 3.654 -6.264 377 1HB PHE 53 1HB PHE 53 3.254 1.328 -6.280 378 2HB PHE 53 2HB PHE 53 1.942 1.556 -5.111 379 HD1 PHE 53 1HD PHE 53 -0.243 0.566 -5.460 380 HD2 PHE 53 2HD PHE 53 2.880 0.104 -8.373 381 HE1 PHE 53 1HE PHE 53 -1.540 -1.237 -6.564 382 HE2 PHE 53 2HE PHE 53 1.583 -1.699 -9.477 383 HZ PHE 53 HZ PHE 53 -0.627 -2.369 -8.572 384 H GLN 54 H GLN 54 4.174 3.225 -7.942 385 HA GLN 54 HA GLN 54 2.928 3.362 -10.632 386 1HB GLN 54 1HB GLN 54 4.732 5.023 -9.465 387 2HB GLN 54 2HB GLN 54 5.837 3.870 -10.252 388 1HG GLN 54 1HG GLN 54 4.834 4.259 -12.407 389 2HG GLN 54 2HG GLN 54 3.499 5.183 -11.685 390 1HE2 GLN 54 1HE2 GLN 54 6.949 5.195 -12.517 391 2HE2 GLN 54 2HE2 GLN 54 7.180 6.924 -12.372 392 H ARG 55 H ARG 55 2.826 1.477 -11.695 393 HA ARG 55 HA ARG 55 4.140 -0.887 -10.983 394 1HB ARG 55 1HB ARG 55 2.260 -0.125 -12.846 395 2HB ARG 55 2HB ARG 55 3.652 -0.539 -13.876 396 1HG ARG 55 1HG ARG 55 3.835 -2.671 -12.384 397 2HG ARG 55 2HG ARG 55 2.167 -2.286 -11.897 398 1HD ARG 55 1HD ARG 55 2.826 -2.248 -14.824 399 2HD ARG 55 2HD ARG 55 2.695 -3.828 -14.023 400 HE ARG 55 HE ARG 55 0.433 -2.492 -13.198 401 1HH1 ARG 55 1HH1 ARG 55 -1.596 -2.922 -16.051 402 2HH1 ARG 55 2HH1 ARG 55 -1.577 -2.581 -14.336 403 1HH2 ARG 55 1HH2 ARG 55 0.395 -3.287 -17.185 404 2HH2 ARG 55 2HH2 ARG 55 1.917 -3.220 -16.324 405 H ASN 56 H ASN 56 4.950 1.200 -13.822 406 HA ASN 56 HA ASN 56 7.709 0.111 -13.683 407 1HB ASN 56 1HB ASN 56 6.105 1.483 -15.863 408 2HB ASN 56 2HB ASN 56 7.849 1.167 -15.995 409 1HD2 ASN 56 1HD2 ASN 56 8.558 -1.141 -15.652 410 2HD2 ASN 56 2HD2 ASN 56 7.510 -2.408 -16.253 411 H LEU 57 H LEU 57 9.515 1.495 -13.663 412 HA LEU 57 HA LEU 57 8.972 4.096 -12.408 413 1HB LEU 57 1HB LEU 57 10.665 2.669 -11.402 414 2HB LEU 57 2HB LEU 57 11.528 2.537 -12.953 415 HG LEU 57 HG LEU 57 11.914 4.987 -12.941 416 1HD1 LEU 57 1HD1 LEU 57 9.806 4.970 -11.081 417 2HD1 LEU 57 2HD1 LEU 57 11.245 5.399 -10.125 418 3HD1 LEU 57 3HD1 LEU 57 10.799 6.372 -11.547 419 1HD2 LEU 57 1HD2 LEU 57 13.122 3.037 -11.307 420 2HD2 LEU 57 2HD2 LEU 57 13.810 4.611 -11.772 421 3HD2 LEU 57 3HD2 LEU 57 12.906 4.450 -10.247 422 H SER 58 H SER 58 11.133 2.928 -15.061 423 HA SER 58 HA SER 58 11.825 5.343 -16.172 424 1HB SER 58 1HB SER 58 12.715 3.252 -17.002 425 2HB SER 58 2HB SER 58 11.105 2.730 -17.553 426 HG SER 58 HG SER 58 12.706 3.814 -19.083 427 H ASP 59 H ASP 59 8.777 3.521 -16.671 428 HA ASP 59 HA ASP 59 7.727 5.845 -18.200 429 1HB ASP 59 1HB ASP 59 7.699 3.426 -19.109 430 2HB ASP 59 2HB ASP 59 6.427 3.128 -17.904 431 HA PRO 60 HA PRO 60 5.263 6.969 -14.728 432 1HB PRO 60 1HB PRO 60 3.405 8.532 -15.965 433 2HB PRO 60 2HB PRO 60 5.134 9.005 -15.881 434 1HG PRO 60 1HG PRO 60 3.724 7.589 -18.161 435 2HG PRO 60 2HG PRO 60 4.731 9.070 -18.257 436 1HD PRO 60 1HD PRO 60 5.774 6.605 -18.775 437 2HD PRO 60 2HD PRO 60 6.723 7.819 -17.865 438 H ARG 61 H ARG 61 4.847 4.320 -15.718 439 HA ARG 61 HA ARG 61 2.049 3.938 -16.350 440 1HB ARG 61 1HB ARG 61 4.476 2.370 -16.200 441 2HB ARG 61 2HB ARG 61 3.170 1.550 -15.312 442 1HG ARG 61 1HG ARG 61 1.701 2.121 -17.389 443 2HG ARG 61 2HG ARG 61 3.251 2.393 -18.220 444 1HD ARG 61 1HD ARG 61 3.896 0.060 -17.192 445 2HD ARG 61 2HD ARG 61 2.139 -0.152 -17.034 446 HE ARG 61 HE ARG 61 2.045 -0.543 -19.299 447 1HH1 ARG 61 1HH1 ARG 61 4.346 0.248 -21.853 448 2HH1 ARG 61 2HH1 ARG 61 2.841 -0.557 -21.468 449 1HH2 ARG 61 1HH2 ARG 61 5.543 1.330 -20.185 450 2HH2 ARG 61 2HH2 ARG 61 4.940 1.341 -18.542 451 H LEU 62 H LEU 62 1.169 5.269 -14.566 452 HA LEU 62 HA LEU 62 1.499 4.297 -11.846 453 1HB LEU 62 1HB LEU 62 0.987 6.710 -12.704 454 2HB LEU 62 2HB LEU 62 -0.697 6.140 -12.796 455 HG LEU 62 HG LEU 62 -0.041 7.237 -10.590 456 1HD1 LEU 62 1HD1 LEU 62 -0.749 4.716 -9.495 457 2HD1 LEU 62 2HD1 LEU 62 -1.843 6.047 -9.941 458 3HD1 LEU 62 3HD1 LEU 62 -1.471 4.769 -11.122 459 1HD2 LEU 62 1HD2 LEU 62 2.253 6.224 -10.529 460 2HD2 LEU 62 2HD2 LEU 62 1.322 5.925 -9.042 461 3HD2 LEU 62 3HD2 LEU 62 1.506 4.632 -10.252 462 H GLU 63 H GLU 63 0.079 3.066 -10.640 463 HA GLU 63 HA GLU 63 -2.363 2.093 -12.021 464 1HB GLU 63 1HB GLU 63 -0.216 0.390 -10.701 465 2HB GLU 63 2HB GLU 63 -1.819 -0.209 -11.190 466 1HG GLU 63 1HG GLU 63 0.132 1.157 -13.084 467 2HG GLU 63 2HG GLU 63 0.015 -0.605 -12.890 468 H THR 64 H THR 64 -4.109 1.767 -10.677 469 HA THR 64 HA THR 64 -3.631 2.398 -7.802 470 HB THR 64 HB THR 64 -6.160 3.062 -7.996 471 HG1 THR 64 1HG THR 64 -5.326 3.504 -10.662 472 1HG2 THR 64 1HG2 THR 64 -4.942 4.935 -7.548 473 2HG2 THR 64 2HG2 THR 64 -3.651 4.480 -8.686 474 3HG2 THR 64 3HG2 THR 64 -5.130 5.269 -9.287 475 H ILE 65 H ILE 65 -4.619 1.123 -6.245 476 HA ILE 65 HA ILE 65 -6.256 -1.156 -7.208 477 HB ILE 65 HB ILE 65 -3.786 -1.773 -6.967 478 1HG1 ILE 65 1HG1 ILE 65 -5.755 -3.161 -5.099 479 2HG1 ILE 65 2HG1 ILE 65 -5.696 -3.395 -6.862 480 1HG2 ILE 65 1HG2 ILE 65 -4.460 -1.469 -4.011 481 2HG2 ILE 65 2HG2 ILE 65 -2.917 -2.020 -4.706 482 3HG2 ILE 65 3HG2 ILE 65 -3.441 -0.334 -4.929 483 1HD1 ILE 65 1HD1 ILE 65 -4.306 -5.127 -6.243 484 2HD1 ILE 65 2HD1 ILE 65 -3.093 -3.825 -6.302 485 3HD1 ILE 65 3HD1 ILE 65 -3.794 -4.320 -4.742 486 H THR 66 H THR 66 -8.061 -1.355 -6.015 487 HA THR 66 HA THR 66 -8.133 0.074 -3.411 488 HB THR 66 HB THR 66 -10.519 -0.996 -4.931 489 HG1 THR 66 1HG THR 66 -9.158 1.472 -5.285 490 1HG2 THR 66 1HG2 THR 66 -11.672 0.125 -3.344 491 2HG2 THR 66 2HG2 THR 66 -10.129 0.341 -2.483 492 3HG2 THR 66 3HG2 THR 66 -10.707 1.598 -3.604 493 H LEU 67 H LEU 67 -8.029 -1.103 -1.602 494 HA LEU 67 HA LEU 67 -8.516 -4.017 -1.798 495 1HB LEU 67 1HB LEU 67 -7.362 -2.401 0.505 496 2HB LEU 67 2HB LEU 67 -7.292 -4.165 0.277 497 HG LEU 67 HG LEU 67 -6.228 -2.488 -1.956 498 1HD1 LEU 67 1HD1 LEU 67 -4.383 -3.004 0.355 499 2HD1 LEU 67 2HD1 LEU 67 -4.327 -1.724 -0.881 500 3HD1 LEU 67 3HD1 LEU 67 -5.484 -1.610 0.467 501 1HD2 LEU 67 1HD2 LEU 67 -4.661 -4.687 -0.728 502 2HD2 LEU 67 2HD2 LEU 67 -6.271 -5.164 -1.320 503 3HD2 LEU 67 3HD2 LEU 67 -5.101 -4.412 -2.431 504 H GLN 68 H GLN 68 -10.350 -4.904 -1.056 505 HA GLN 68 HA GLN 68 -12.291 -3.179 0.306 506 1HB GLN 68 1HB GLN 68 -12.406 -6.057 -0.679 507 2HB GLN 68 2HB GLN 68 -13.777 -5.166 0.024 508 1HG GLN 68 1HG GLN 68 -12.270 -3.863 -2.216 509 2HG GLN 68 2HG GLN 68 -13.325 -5.234 -2.624 510 1HE2 GLN 68 1HE2 GLN 68 -13.160 -1.896 -1.575 511 2HE2 GLN 68 2HE2 GLN 68 -14.881 -1.575 -1.598 512 H LYS 69 H LYS 69 -13.649 -4.640 2.034 513 HA LYS 69 HA LYS 69 -12.144 -4.653 4.379 514 1HB LYS 69 1HB LYS 69 -14.489 -6.508 3.869 515 2HB LYS 69 2HB LYS 69 -14.020 -5.709 5.389 516 1HG LYS 69 1HG LYS 69 -15.468 -4.062 4.834 517 2HG LYS 69 2HG LYS 69 -14.314 -3.601 3.560 518 1HD LYS 69 1HD LYS 69 -15.447 -5.388 2.100 519 2HD LYS 69 2HD LYS 69 -16.728 -5.432 3.334 520 1HE LYS 69 1HE LYS 69 -15.971 -2.702 2.517 521 2HE LYS 69 2HE LYS 69 -16.623 -3.683 1.186 522 1HZ LYS 69 1HZ LYS 69 -17.905 -2.821 3.635 523 2HZ LYS 69 2HZ LYS 69 -18.493 -2.866 2.095 524 3HZ LYS 69 3HZ LYS 69 -18.373 -4.257 2.974 525 H TRP 70 H TRP 70 -10.726 -6.021 5.326 526 HA TRP 70 HA TRP 70 -9.278 -7.786 5.520 527 1HB TRP 70 1HB TRP 70 -11.615 -9.436 4.526 528 2HB TRP 70 2HB TRP 70 -10.275 -9.971 5.550 529 HD1 TRP 70 HD TRP 70 -13.751 -8.926 5.747 530 HE1 TRP 70 1HE TRP 70 -14.468 -8.357 8.123 531 HE3 TRP 70 3HE TRP 70 -9.132 -8.612 7.929 532 HZ2 TRP 70 2HZ TRP 70 -13.200 -7.827 10.670 533 HZ3 TRP 70 3HZ TRP 70 -8.927 -8.074 10.329 534 HH2 TRP 70 HH TRP 70 -10.946 -7.679 11.710 535 H GLY 71 H GLY 71 -9.375 -6.347 2.954 536 1HA GLY 71 1HA GLY 71 -9.001 -8.402 0.901 537 2HA GLY 71 2HA GLY 71 -8.842 -6.642 0.703 538 H SER 72 H SER 72 -7.015 -8.766 -0.224 539 HA SER 72 HA SER 72 -4.575 -7.760 1.130 540 1HB SER 72 1HB SER 72 -4.333 -10.550 0.299 541 2HB SER 72 2HB SER 72 -3.941 -9.792 1.861 542 HG SER 72 HG SER 72 -5.648 -11.332 2.000 543 H TRP 73 H TRP 73 -2.624 -8.027 -0.214 544 HA TRP 73 HA TRP 73 -3.274 -8.326 -3.104 545 1HB TRP 73 1HB TRP 73 -3.101 -5.924 -2.307 546 2HB TRP 73 2HB TRP 73 -1.404 -6.252 -1.932 547 HD1 TRP 73 HD TRP 73 -2.984 -7.676 -5.088 548 HE1 TRP 73 1HE TRP 73 -1.952 -6.595 -7.150 549 HE3 TRP 73 3HE TRP 73 -0.205 -4.045 -2.789 550 HZ2 TRP 73 2HZ TRP 73 -0.138 -4.419 -7.741 551 HZ3 TRP 73 3HZ TRP 73 1.160 -2.489 -4.132 552 HH2 TRP 73 HH TRP 73 1.205 -2.662 -6.603 553 H ASN 74 H ASN 74 -1.827 -9.511 -4.267 554 HA ASN 74 HA ASN 74 0.819 -10.067 -3.072 555 1HB ASN 74 1HB ASN 74 -0.725 -11.849 -2.284 556 2HB ASN 74 2HB ASN 74 -1.126 -12.225 -3.974 557 1HD2 ASN 74 1HD2 ASN 74 -0.215 -14.182 -4.372 558 2HD2 ASN 74 2HD2 ASN 74 1.465 -14.580 -4.085 559 HA PRO 75 HA PRO 75 0.812 -9.273 -7.646 560 1HB PRO 75 1HB PRO 75 2.675 -7.285 -7.646 561 2HB PRO 75 2HB PRO 75 0.961 -6.975 -7.218 562 1HG PRO 75 1HG PRO 75 3.262 -7.509 -5.317 563 2HG PRO 75 2HG PRO 75 2.103 -6.141 -5.265 564 1HD PRO 75 1HD PRO 75 1.728 -8.379 -3.756 565 2HD PRO 75 2HD PRO 75 0.339 -7.577 -4.549 566 H GLY 76 H GLY 76 3.988 -8.315 -6.437 567 1HA GLY 76 1HA GLY 76 5.392 -10.638 -6.148 568 2HA GLY 76 2HA GLY 76 5.234 -10.494 -7.913 569 H HIS 77 H HIS 77 6.018 -8.414 -5.064 570 HA HIS 77 HA HIS 77 7.711 -6.908 -4.735 571 1HB HIS 77 1HB HIS 77 9.165 -8.765 -5.463 572 2HB HIS 77 2HB HIS 77 8.947 -8.271 -7.153 573 HD1 HIS 77 1HD HIS 77 9.495 -5.225 -7.053 574 HD2 HIS 77 2HD HIS 77 11.599 -8.127 -4.827 575 HE1 HIS 77 1HE HIS 77 11.767 -4.184 -6.451 576 HE2 HIS 77 2HE HIS 77 13.035 -5.956 -5.100 577 H ILE 78 H ILE 78 6.538 -5.045 -5.147 578 HA ILE 78 HA ILE 78 6.256 -4.142 -7.935 579 HB ILE 78 HB ILE 78 5.350 -2.904 -5.305 580 1HG1 ILE 78 1HG1 ILE 78 4.436 -5.234 -6.241 581 2HG1 ILE 78 2HG1 ILE 78 3.329 -4.014 -5.565 582 1HG2 ILE 78 1HG2 ILE 78 3.746 -1.754 -7.011 583 2HG2 ILE 78 2HG2 ILE 78 5.415 -1.149 -6.883 584 3HG2 ILE 78 3HG2 ILE 78 4.957 -2.220 -8.229 585 1HD1 ILE 78 1HD1 ILE 78 2.763 -5.063 -7.893 586 2HD1 ILE 78 2HD1 ILE 78 2.616 -3.300 -7.695 587 3HD1 ILE 78 3HD1 ILE 78 4.043 -3.988 -8.507 588 H HIS 79 H HIS 79 7.273 -2.342 -8.800 589 HA HIS 79 HA HIS 79 9.867 -1.758 -8.214 590 1HB HIS 79 1HB HIS 79 9.021 -0.822 -10.175 591 2HB HIS 79 2HB HIS 79 7.625 -0.102 -9.351 592 HD1 HIS 79 1HD HIS 79 11.398 0.405 -8.555 593 HD2 HIS 79 2HD HIS 79 7.898 2.462 -9.703 594 HE1 HIS 79 1HE HIS 79 11.988 2.906 -8.573 595 HE2 HIS 79 2HE HIS 79 9.855 4.145 -9.271 596 H GLU 80 H GLU 80 7.386 0.689 -7.329 597 HA GLU 80 HA GLU 80 8.265 0.747 -4.559 598 1HB GLU 80 1HB GLU 80 10.096 1.973 -5.755 599 2HB GLU 80 2HB GLU 80 8.881 3.133 -6.344 600 1HG GLU 80 1HG GLU 80 8.244 3.225 -3.751 601 2HG GLU 80 2HG GLU 80 9.932 2.702 -3.563 602 H ILE 81 H ILE 81 6.866 1.978 -3.244 603 HA ILE 81 HA ILE 81 4.248 2.442 -4.447 604 HB ILE 81 HB ILE 81 5.336 2.695 -1.618 605 1HG1 ILE 81 1HG1 ILE 81 5.163 0.397 -2.585 606 2HG1 ILE 81 2HG1 ILE 81 4.025 0.657 -1.241 607 1HG2 ILE 81 1HG2 ILE 81 2.736 2.661 -1.182 608 2HG2 ILE 81 2HG2 ILE 81 3.538 4.195 -1.596 609 3HG2 ILE 81 3HG2 ILE 81 2.641 3.295 -2.842 610 1HD1 ILE 81 1HD1 ILE 81 2.574 1.509 -3.451 611 2HD1 ILE 81 2HD1 ILE 81 3.486 0.120 -4.089 612 3HD1 ILE 81 3HD1 ILE 81 2.428 -0.085 -2.673 613 H LEU 82 H LEU 82 3.259 4.394 -4.807 614 HA LEU 82 HA LEU 82 5.030 6.739 -4.805 615 1HB LEU 82 1HB LEU 82 2.198 6.308 -5.835 616 2HB LEU 82 2HB LEU 82 3.172 7.778 -6.078 617 HG LEU 82 HG LEU 82 3.358 5.133 -7.406 618 1HD1 LEU 82 1HD1 LEU 82 4.409 7.913 -8.086 619 2HD1 LEU 82 2HD1 LEU 82 4.277 6.535 -9.204 620 3HD1 LEU 82 3HD1 LEU 82 2.806 7.286 -8.539 621 1HD2 LEU 82 1HD2 LEU 82 5.365 4.943 -6.048 622 2HD2 LEU 82 2HD2 LEU 82 5.851 5.385 -7.703 623 3HD2 LEU 82 3HD2 LEU 82 5.827 6.621 -6.422 624 H SER 83 H SER 83 1.580 6.224 -3.870 625 HA SER 83 HA SER 83 2.115 7.608 -1.320 626 1HB SER 83 1HB SER 83 1.434 9.259 -3.210 627 2HB SER 83 2HB SER 83 -0.178 8.517 -3.069 628 HG SER 83 HG SER 83 -0.368 9.264 -1.057 629 H ILE 84 H ILE 84 0.016 7.603 0.035 630 HA ILE 84 HA ILE 84 -1.567 5.157 -0.573 631 HB ILE 84 HB ILE 84 -0.115 5.934 1.968 632 1HG1 ILE 84 1HG1 ILE 84 -0.379 3.328 0.407 633 2HG1 ILE 84 2HG1 ILE 84 0.997 4.452 0.297 634 1HG2 ILE 84 1HG2 ILE 84 -1.437 3.990 2.985 635 2HG2 ILE 84 2HG2 ILE 84 -2.347 5.499 2.730 636 3HG2 ILE 84 3HG2 ILE 84 -2.542 4.139 1.597 637 1HD1 ILE 84 1HD1 ILE 84 1.240 4.195 2.832 638 2HD1 ILE 84 2HD1 ILE 84 0.080 2.849 2.714 639 3HD1 ILE 84 3HD1 ILE 84 1.643 2.754 1.866 640 H ARG 85 H ARG 85 -3.724 5.443 -0.408 641 HA ARG 85 HA ARG 85 -4.664 7.883 1.025 642 1HB ARG 85 1HB ARG 85 -4.951 8.352 -1.285 643 2HB ARG 85 2HB ARG 85 -5.499 6.695 -1.636 644 1HG ARG 85 1HG ARG 85 -7.575 7.042 -0.475 645 2HG ARG 85 2HG ARG 85 -7.002 8.577 0.222 646 1HD ARG 85 1HD ARG 85 -7.239 8.120 -2.771 647 2HD ARG 85 2HD ARG 85 -8.577 8.761 -1.794 648 HE ARG 85 HE ARG 85 -6.239 10.194 -2.686 649 1HH1 ARG 85 1HH1 ARG 85 -6.918 12.956 -0.600 650 2HH1 ARG 85 2HH1 ARG 85 -6.000 12.379 -1.973 651 1HH2 ARG 85 1HH2 ARG 85 -8.375 11.527 0.506 652 2HH2 ARG 85 2HH2 ARG 85 -8.555 9.873 -0.034 653 H ILE 86 H ILE 86 -6.173 7.545 2.562 654 HA ILE 86 HA ILE 86 -7.404 4.831 2.666 655 HB ILE 86 HB ILE 86 -6.819 6.772 4.937 656 1HG1 ILE 86 1HG1 ILE 86 -5.455 4.130 4.298 657 2HG1 ILE 86 2HG1 ILE 86 -4.812 5.702 3.765 658 1HG2 ILE 86 1HG2 ILE 86 -8.634 4.624 4.737 659 2HG2 ILE 86 2HG2 ILE 86 -7.223 3.958 5.593 660 3HG2 ILE 86 3HG2 ILE 86 -8.054 5.396 6.233 661 1HD1 ILE 86 1HD1 ILE 86 -5.503 5.108 6.665 662 2HD1 ILE 86 2HD1 ILE 86 -3.888 4.807 5.981 663 3HD1 ILE 86 3HD1 ILE 86 -4.543 6.462 6.022 664 H TYR 87 H TYR 87 -9.601 4.672 2.767 665 HA TYR 87 HA TYR 87 -11.113 7.132 2.281 666 1HB TYR 87 1HB TYR 87 -11.798 4.182 2.344 667 2HB TYR 87 2HB TYR 87 -13.018 5.446 2.112 668 HD1 TYR 87 1HD TYR 87 -13.658 5.804 -0.074 669 HD2 TYR 87 2HD TYR 87 -9.608 4.624 0.739 670 HE1 TYR 87 1HE TYR 87 -13.160 5.840 -2.503 671 HE2 TYR 87 2HE TYR 87 -9.111 4.660 -1.691 672 HH TYR 87 HH TYR 87 -9.892 5.203 -3.782 Start of MODEL 6 1 H MET 1 H MET 1 -5.177 11.838 8.011 2 HA MET 1 HA MET 1 -2.967 13.395 8.984 3 1HB MET 1 1HB MET 1 -5.208 12.686 10.853 4 2HB MET 1 2HB MET 1 -3.535 12.564 11.448 5 1HG MET 1 1HG MET 1 -3.097 14.873 10.813 6 2HG MET 1 2HG MET 1 -4.701 15.010 10.075 7 1HE MET 1 1HE MET 1 -2.881 16.245 13.367 8 2HE MET 1 2HE MET 1 -3.475 14.966 14.453 9 3HE MET 1 3HE MET 1 -2.544 14.536 12.998 10 H ILE 2 H ILE 2 -2.983 11.303 7.264 11 HA ILE 2 HA ILE 2 -2.862 8.711 8.367 12 HB ILE 2 HB ILE 2 -2.913 9.253 5.940 13 1HG1 ILE 2 1HG1 ILE 2 -0.376 7.721 6.609 14 2HG1 ILE 2 2HG1 ILE 2 -1.997 7.064 6.941 15 1HG2 ILE 2 1HG2 ILE 2 0.013 9.996 6.356 16 2HG2 ILE 2 2HG2 ILE 2 -0.887 10.018 4.820 17 3HG2 ILE 2 3HG2 ILE 2 -1.298 11.175 6.109 18 1HD1 ILE 2 1HD1 ILE 2 -0.701 7.702 4.287 19 2HD1 ILE 2 2HD1 ILE 2 -1.560 6.228 4.794 20 3HD1 ILE 2 3HD1 ILE 2 -2.474 7.712 4.435 21 H ASN 3 H ASN 3 -1.310 7.560 9.440 22 HA ASN 3 HA ASN 3 1.348 8.818 9.801 23 1HB ASN 3 1HB ASN 3 -0.731 8.317 11.880 24 2HB ASN 3 2HB ASN 3 0.938 7.871 12.296 25 1HD2 ASN 3 1HD2 ASN 3 2.637 9.547 12.009 26 2HD2 ASN 3 2HD2 ASN 3 2.206 11.225 12.259 27 H ARG 4 H ARG 4 3.005 7.360 9.854 28 HA ARG 4 HA ARG 4 2.394 4.636 9.094 29 1HB ARG 4 1HB ARG 4 4.446 6.262 8.545 30 2HB ARG 4 2HB ARG 4 5.129 5.475 9.988 31 1HG ARG 4 1HG ARG 4 4.294 3.259 8.822 32 2HG ARG 4 2HG ARG 4 4.323 4.255 7.347 33 1HD ARG 4 1HD ARG 4 6.558 4.058 7.225 34 2HD ARG 4 2HD ARG 4 6.727 4.752 8.852 35 HE ARG 4 HE ARG 4 5.936 2.035 9.104 36 1HH1 ARG 4 1HH1 ARG 4 9.221 0.775 9.361 37 2HH1 ARG 4 2HH1 ARG 4 7.525 0.445 9.638 38 1HH2 ARG 4 1HH2 ARG 4 9.874 2.809 8.455 39 2HH2 ARG 4 2HH2 ARG 4 8.671 4.013 8.050 40 H THR 5 H THR 5 1.617 3.229 10.566 41 HA THR 5 HA THR 5 2.899 3.247 13.259 42 HB THR 5 HB THR 5 0.582 3.914 13.448 43 HG1 THR 5 1HG THR 5 1.426 2.273 14.888 44 1HG2 THR 5 1HG2 THR 5 -0.305 3.180 11.331 45 2HG2 THR 5 2HG2 THR 5 0.079 1.480 11.692 46 3HG2 THR 5 3HG2 THR 5 -1.207 2.313 12.597 47 H ASP 6 H ASP 6 3.320 1.201 14.227 48 HA ASP 6 HA ASP 6 3.848 -0.892 12.226 49 1HB ASP 6 1HB ASP 6 5.479 -0.021 14.048 50 2HB ASP 6 2HB ASP 6 4.510 -0.996 15.174 51 H CYS 7 H CYS 7 1.088 -0.400 12.766 52 HA CYS 7 HA CYS 7 -0.832 -1.530 13.286 53 1HB CYS 7 1HB CYS 7 0.247 -4.154 13.805 54 2HB CYS 7 2HB CYS 7 -0.740 -3.593 12.445 55 H ASN 8 H ASN 8 -1.679 -0.940 15.204 56 HA ASN 8 HA ASN 8 -0.272 -1.496 17.694 57 1HB ASN 8 1HB ASN 8 -2.918 -0.202 16.971 58 2HB ASN 8 2HB ASN 8 -2.402 -0.452 18.653 59 1HD2 ASN 8 1HD2 ASN 8 -0.421 0.387 15.775 60 2HD2 ASN 8 2HD2 ASN 8 0.147 1.922 16.394 61 H GLU 9 H GLU 9 -2.944 -2.852 15.809 62 HA GLU 9 HA GLU 9 -3.014 -5.120 17.711 63 1HB GLU 9 1HB GLU 9 -5.628 -4.995 17.184 64 2HB GLU 9 2HB GLU 9 -4.908 -4.101 18.544 65 1HG GLU 9 1HG GLU 9 -4.956 -2.055 17.392 66 2HG GLU 9 2HG GLU 9 -5.056 -2.841 15.802 67 H ASN 10 H ASN 10 -5.515 -4.721 15.321 68 HA ASN 10 HA ASN 10 -3.990 -6.355 13.369 69 1HB ASN 10 1HB ASN 10 -5.853 -7.441 15.130 70 2HB ASN 10 2HB ASN 10 -6.793 -7.164 13.648 71 1HD2 ASN 10 1HD2 ASN 10 -6.975 -9.440 13.273 72 2HD2 ASN 10 2HD2 ASN 10 -5.618 -10.369 12.673 73 H SER 11 H SER 11 -6.251 -6.812 11.677 74 HA SER 11 HA SER 11 -7.276 -5.782 9.907 75 1HB SER 11 1HB SER 11 -8.941 -4.260 10.480 76 2HB SER 11 2HB SER 11 -8.615 -5.030 12.052 77 HG SER 11 HG SER 11 -8.638 -2.650 11.975 78 H TYR 12 H TYR 12 -7.569 -2.738 9.816 79 HA TYR 12 HA TYR 12 -6.465 -1.035 8.756 80 1HB TYR 12 1HB TYR 12 -4.355 -2.112 10.631 81 2HB TYR 12 2HB TYR 12 -4.036 -0.725 9.577 82 HD1 TYR 12 1HD TYR 12 -6.640 0.689 9.652 83 HD2 TYR 12 2HD TYR 12 -4.412 -1.216 12.792 84 HE1 TYR 12 1HE TYR 12 -7.697 2.195 11.315 85 HE2 TYR 12 2HE TYR 12 -5.469 0.290 14.455 86 HH TYR 12 HH TYR 12 -8.154 2.353 13.712 87 H LEU 13 H LEU 13 -4.536 -0.487 7.291 88 HA LEU 13 HA LEU 13 -4.136 -2.800 5.506 89 1HB LEU 13 1HB LEU 13 -4.733 -1.067 4.143 90 2HB LEU 13 2HB LEU 13 -4.132 0.169 5.274 91 HG LEU 13 HG LEU 13 -1.773 -0.937 4.616 92 1HD1 LEU 13 1HD1 LEU 13 -2.219 -1.141 1.930 93 2HD1 LEU 13 2HD1 LEU 13 -2.166 -2.539 3.030 94 3HD1 LEU 13 3HD1 LEU 13 -3.732 -1.835 2.560 95 1HD2 LEU 13 1HD2 LEU 13 -1.535 1.182 3.891 96 2HD2 LEU 13 2HD2 LEU 13 -2.433 0.776 2.409 97 3HD2 LEU 13 3HD2 LEU 13 -3.305 1.365 3.845 98 H GLU 14 H GLU 14 -2.199 -3.784 5.163 99 HA GLU 14 HA GLU 14 0.222 -2.504 6.306 100 1HB GLU 14 1HB GLU 14 -0.451 -5.437 6.709 101 2HB GLU 14 2HB GLU 14 0.866 -4.500 7.454 102 1HG GLU 14 1HG GLU 14 -0.791 -3.098 8.632 103 2HG GLU 14 2HG GLU 14 -2.112 -4.017 7.878 104 H ILE 15 H ILE 15 1.649 -2.316 4.694 105 HA ILE 15 HA ILE 15 1.525 -4.287 2.475 106 HB ILE 15 HB ILE 15 2.912 -1.582 2.624 107 1HG1 ILE 15 1HG1 ILE 15 0.418 -2.180 1.032 108 2HG1 ILE 15 2HG1 ILE 15 0.279 -1.778 2.761 109 1HG2 ILE 15 1HG2 ILE 15 3.691 -2.022 0.541 110 2HG2 ILE 15 2HG2 ILE 15 3.303 -3.724 0.887 111 3HG2 ILE 15 3HG2 ILE 15 2.132 -2.705 0.017 112 1HD1 ILE 15 1HD1 ILE 15 2.077 -0.028 1.145 113 2HD1 ILE 15 2HD1 ILE 15 0.336 0.100 0.795 114 3HD1 ILE 15 3HD1 ILE 15 0.937 0.396 2.444 115 H HIS 16 H HIS 16 3.016 -5.854 2.410 116 HA HIS 16 HA HIS 16 5.597 -5.360 3.822 117 1HB HIS 16 1HB HIS 16 5.647 -7.735 4.335 118 2HB HIS 16 2HB HIS 16 4.144 -7.021 4.947 119 HD1 HIS 16 1HD HIS 16 5.395 -9.604 2.462 120 HD2 HIS 16 2HD HIS 16 1.834 -7.658 3.617 121 HE1 HIS 16 1HE HIS 16 3.460 -10.930 1.413 122 HE2 HIS 16 2HE HIS 16 1.303 -9.739 2.121 123 H ASN 17 H ASN 17 6.998 -4.840 2.212 124 HA ASN 17 HA ASN 17 6.881 -6.421 -0.295 125 1HB ASN 17 1HB ASN 17 8.458 -4.642 -1.112 126 2HB ASN 17 2HB ASN 17 6.862 -4.033 -0.624 127 1HD2 ASN 17 1HD2 ASN 17 8.612 -2.087 -0.707 128 2HD2 ASN 17 2HD2 ASN 17 9.240 -1.659 0.870 129 H ASN 18 H ASN 18 9.424 -6.340 -1.199 130 HA ASN 18 HA ASN 18 11.420 -7.452 -1.060 131 1HB ASN 18 1HB ASN 18 11.112 -6.283 1.703 132 2HB ASN 18 2HB ASN 18 12.489 -7.341 1.328 133 1HD2 ASN 18 1HD2 ASN 18 11.653 -4.182 1.570 134 2HD2 ASN 18 2HD2 ASN 18 12.713 -3.476 0.369 135 H GLU 19 H GLU 19 8.998 -8.986 -0.837 136 HA GLU 19 HA GLU 19 8.394 -11.152 -0.408 137 1HB GLU 19 1HB GLU 19 11.314 -11.311 0.418 138 2HB GLU 19 2HB GLU 19 10.226 -12.720 0.383 139 1HG GLU 19 1HG GLU 19 9.739 -12.253 -2.014 140 2HG GLU 19 2HG GLU 19 10.885 -10.896 -1.966 141 H GLY 20 H GLY 20 8.615 -8.845 1.727 142 1HA GLY 20 1HA GLY 20 7.359 -8.863 3.751 143 2HA GLY 20 2HA GLY 20 7.735 -10.589 3.959 144 H ARG 21 H ARG 21 9.923 -7.847 3.187 145 HA ARG 21 HA ARG 21 11.589 -8.647 5.500 146 1HB ARG 21 1HB ARG 21 12.477 -8.369 3.097 147 2HB ARG 21 2HB ARG 21 12.268 -6.620 3.351 148 1HG ARG 21 1HG ARG 21 13.648 -8.092 5.543 149 2HG ARG 21 2HG ARG 21 14.542 -7.974 4.008 150 1HD ARG 21 1HD ARG 21 13.541 -5.423 4.270 151 2HD ARG 21 2HD ARG 21 13.836 -5.865 5.965 152 HE ARG 21 HE ARG 21 16.070 -5.536 5.548 153 1HH1 ARG 21 1HH1 ARG 21 17.931 -5.878 2.571 154 2HH1 ARG 21 2HH1 ARG 21 17.992 -5.458 4.268 155 1HH2 ARG 21 1HH2 ARG 21 15.919 -6.514 1.605 156 2HH2 ARG 21 2HH2 ARG 21 14.463 -6.573 2.574 157 H ASP 22 H ASP 22 9.790 -5.897 4.103 158 HA ASP 22 HA ASP 22 9.963 -4.581 6.762 159 1HB ASP 22 1HB ASP 22 10.445 -3.325 4.037 160 2HB ASP 22 2HB ASP 22 10.146 -2.392 5.520 161 H THR 23 H THR 23 7.935 -4.457 7.517 162 HA THR 23 HA THR 23 5.727 -4.227 5.544 163 HB THR 23 HB THR 23 5.767 -5.041 8.477 164 HG1 THR 23 1HG THR 23 5.503 -7.048 7.675 165 1HG2 THR 23 1HG2 THR 23 3.688 -3.808 7.650 166 2HG2 THR 23 2HG2 THR 23 3.455 -5.148 6.502 167 3HG2 THR 23 3HG2 THR 23 3.409 -5.459 8.254 168 H LEU 24 H LEU 24 4.010 -2.703 5.930 169 HA LEU 24 HA LEU 24 4.672 -0.513 7.815 170 1HB LEU 24 1HB LEU 24 3.762 0.081 4.994 171 2HB LEU 24 2HB LEU 24 4.547 1.161 6.171 172 HG LEU 24 HG LEU 24 6.358 -0.962 5.854 173 1HD1 LEU 24 1HD1 LEU 24 5.430 -1.865 3.890 174 2HD1 LEU 24 2HD1 LEU 24 4.917 -0.272 3.285 175 3HD1 LEU 24 3HD1 LEU 24 6.639 -0.723 3.257 176 1HD2 LEU 24 1HD2 LEU 24 6.711 1.433 4.119 177 2HD2 LEU 24 2HD2 LEU 24 6.389 1.767 5.837 178 3HD2 LEU 24 3HD2 LEU 24 7.783 0.763 5.372 179 H CYS 25 H CYS 25 2.959 -0.506 9.151 180 HA CYS 25 HA CYS 25 0.291 -1.152 8.051 181 1HB CYS 25 1HB CYS 25 1.040 -0.617 10.932 182 2HB CYS 25 2HB CYS 25 -0.371 -1.485 10.308 183 H PHE 26 H PHE 26 -0.983 0.465 7.383 184 HA PHE 26 HA PHE 26 -0.531 3.159 8.569 185 1HB PHE 26 1HB PHE 26 -1.705 2.272 5.915 186 2HB PHE 26 2HB PHE 26 -1.710 3.946 6.495 187 HD1 PHE 26 1HD PHE 26 0.130 1.429 4.731 188 HD2 PHE 26 2HD PHE 26 0.574 5.019 7.048 189 HE1 PHE 26 1HE PHE 26 2.396 1.762 3.780 190 HE2 PHE 26 2HE PHE 26 2.840 5.352 6.097 191 HZ PHE 26 HZ PHE 26 3.751 3.724 4.463 192 H ALA 27 H ALA 27 -2.365 4.432 9.150 193 HA ALA 27 HA ALA 27 -4.950 2.996 9.284 194 1HB ALA 27 1HB ALA 27 -5.124 3.847 11.700 195 2HB ALA 27 2HB ALA 27 -4.044 2.460 11.418 196 3HB ALA 27 3HB ALA 27 -3.362 4.091 11.625 197 H ASN 28 H ASN 28 -6.634 4.634 10.303 198 HA ASN 28 HA ASN 28 -7.732 6.636 10.119 199 1HB ASN 28 1HB ASN 28 -4.864 7.564 9.894 200 2HB ASN 28 2HB ASN 28 -6.216 8.702 9.711 201 1HD2 ASN 28 1HD2 ASN 28 -4.078 7.336 11.910 202 2HD2 ASN 28 2HD2 ASN 28 -4.969 7.625 13.388 203 H ALA 29 H ALA 29 -8.783 7.781 8.491 204 HA ALA 29 HA ALA 29 -8.507 6.765 5.848 205 1HB ALA 29 1HB ALA 29 -10.090 8.676 5.306 206 2HB ALA 29 2HB ALA 29 -10.638 7.579 6.596 207 3HB ALA 29 3HB ALA 29 -9.955 9.169 7.011 208 H GLY 30 H GLY 30 -6.546 8.907 7.545 209 1HA GLY 30 1HA GLY 30 -5.934 11.028 5.921 210 2HA GLY 30 2HA GLY 30 -4.706 10.096 6.807 211 H THR 31 H THR 31 -4.237 11.369 4.286 212 HA THR 31 HA THR 31 -3.544 8.966 2.708 213 HB THR 31 HB THR 31 -5.059 11.390 1.672 214 HG1 THR 31 1HG THR 31 -6.647 10.048 1.772 215 1HG2 THR 31 1HG2 THR 31 -4.304 10.963 -0.425 216 2HG2 THR 31 2HG2 THR 31 -2.991 10.064 0.371 217 3HG2 THR 31 3HG2 THR 31 -4.439 9.202 -0.202 218 H MET 32 H MET 32 -1.414 9.030 2.340 219 HA MET 32 HA MET 32 -0.170 11.643 1.720 220 1HB MET 32 1HB MET 32 1.624 11.282 3.305 221 2HB MET 32 2HB MET 32 0.078 11.181 4.182 222 1HG MET 32 1HG MET 32 0.290 8.948 4.582 223 2HG MET 32 2HG MET 32 1.073 8.635 3.024 224 1HE MET 32 1HE MET 32 1.644 7.032 5.138 225 2HE MET 32 2HE MET 32 3.333 7.074 5.699 226 3HE MET 32 3HE MET 32 2.058 7.869 6.654 227 HA PRO 33 HA PRO 33 1.912 9.264 -1.326 228 1HB PRO 33 1HB PRO 33 4.145 10.765 -1.754 229 2HB PRO 33 2HB PRO 33 2.505 11.378 -2.144 230 1HG PRO 33 1HG PRO 33 4.101 11.876 0.386 231 2HG PRO 33 2HG PRO 33 3.326 13.101 -0.671 232 1HD PRO 33 1HD PRO 33 2.082 12.160 1.565 233 2HD PRO 33 2HD PRO 33 1.151 12.455 0.065 234 H VAL 34 H VAL 34 2.967 7.372 -1.075 235 HA VAL 34 HA VAL 34 5.253 7.299 0.834 236 HB VAL 34 HB VAL 34 4.513 5.191 1.679 237 1HG1 VAL 34 1HG1 VAL 34 1.797 6.109 1.757 238 2HG1 VAL 34 2HG1 VAL 34 3.051 6.271 3.010 239 3HG1 VAL 34 3HG1 VAL 34 2.858 7.538 1.775 240 1HG2 VAL 34 1HG2 VAL 34 2.688 3.925 0.754 241 2HG2 VAL 34 2HG2 VAL 34 2.204 5.275 -0.300 242 3HG2 VAL 34 3HG2 VAL 34 3.721 4.399 -0.615 243 H ALA 35 H ALA 35 6.760 5.476 0.389 244 HA ALA 35 HA ALA 35 6.731 4.725 -2.495 245 1HB ALA 35 1HB ALA 35 9.199 5.406 -0.858 246 2HB ALA 35 2HB ALA 35 9.100 5.120 -2.612 247 3HB ALA 35 3HB ALA 35 8.362 6.577 -1.905 248 H ILE 36 H ILE 36 6.384 2.584 -2.574 249 HA ILE 36 HA ILE 36 7.926 0.882 -0.679 250 HB ILE 36 HB ILE 36 5.003 0.716 -1.472 251 1HG1 ILE 36 1HG1 ILE 36 5.708 0.156 1.288 252 2HG1 ILE 36 2HG1 ILE 36 6.417 1.707 0.777 253 1HG2 ILE 36 1HG2 ILE 36 6.923 -1.434 -1.029 254 2HG2 ILE 36 2HG2 ILE 36 5.654 -1.446 0.219 255 3HG2 ILE 36 3HG2 ILE 36 5.210 -1.533 -1.502 256 1HD1 ILE 36 1HD1 ILE 36 4.348 2.675 0.369 257 2HD1 ILE 36 2HD1 ILE 36 3.572 1.115 0.004 258 3HD1 ILE 36 3HD1 ILE 36 3.911 1.567 1.692 259 H TYR 37 H TYR 37 9.416 -0.119 -1.907 260 HA TYR 37 HA TYR 37 8.645 -0.917 -4.663 261 1HB TYR 37 1HB TYR 37 11.390 -0.833 -3.375 262 2HB TYR 37 2HB TYR 37 11.018 -1.051 -5.093 263 HD1 TYR 37 1HD TYR 37 10.807 1.384 -2.272 264 HD2 TYR 37 2HD TYR 37 10.749 0.804 -6.528 265 HE1 TYR 37 1HE TYR 37 10.922 3.838 -2.607 266 HE2 TYR 37 2HE TYR 37 10.864 3.259 -6.863 267 HH TYR 37 HH TYR 37 11.297 5.525 -4.172 268 H GLY 38 H GLY 38 8.732 -3.049 -5.328 269 1HA GLY 38 1HA GLY 38 9.000 -5.341 -5.158 270 2HA GLY 38 2HA GLY 38 9.879 -5.109 -3.629 271 H VAL 39 H VAL 39 6.543 -4.412 -4.836 272 HA VAL 39 HA VAL 39 5.427 -5.119 -2.236 273 HB VAL 39 HB VAL 39 3.997 -4.518 -4.851 274 1HG1 VAL 39 1HG1 VAL 39 2.141 -3.938 -3.418 275 2HG1 VAL 39 2HG1 VAL 39 2.723 -5.538 -2.901 276 3HG1 VAL 39 3HG1 VAL 39 3.148 -4.089 -1.959 277 1HG2 VAL 39 1HG2 VAL 39 5.694 -2.837 -3.220 278 2HG2 VAL 39 2HG2 VAL 39 4.779 -2.410 -4.686 279 3HG2 VAL 39 3HG2 VAL 39 4.009 -2.280 -3.087 280 H ASN 40 H ASN 40 5.142 -7.185 -1.648 281 HA ASN 40 HA ASN 40 4.693 -9.198 -3.783 282 1HB ASN 40 1HB ASN 40 5.423 -9.543 -0.852 283 2HB ASN 40 2HB ASN 40 5.340 -10.829 -2.076 284 1HD2 ASN 40 1HD2 ASN 40 6.992 -11.054 -3.611 285 2HD2 ASN 40 2HD2 ASN 40 8.494 -10.160 -3.516 286 H TRP 41 H TRP 41 3.344 -7.831 -0.775 287 HA TRP 41 HA TRP 41 0.681 -8.646 -1.576 288 1HB TRP 41 1HB TRP 41 1.403 -10.757 -0.664 289 2HB TRP 41 2HB TRP 41 2.056 -9.967 0.778 290 HD1 TRP 41 HD TRP 41 -0.123 -8.387 2.001 291 HE1 TRP 41 1HE TRP 41 -2.350 -9.339 2.789 292 HE3 TRP 41 3HE TRP 41 -0.241 -12.632 -0.856 293 HZ2 TRP 41 2HZ TRP 41 -3.992 -11.661 2.252 294 HZ3 TRP 41 3HZ TRP 41 -2.149 -14.187 -0.690 295 HH2 TRP 41 HH TRP 41 -4.028 -13.718 0.854 296 H VAL 42 H VAL 42 -0.944 -7.596 -0.340 297 HA VAL 42 HA VAL 42 0.076 -5.681 1.696 298 HB VAL 42 HB VAL 42 -1.636 -5.146 -0.746 299 1HG1 VAL 42 1HG1 VAL 42 -1.526 -3.721 1.919 300 2HG1 VAL 42 2HG1 VAL 42 -1.815 -2.802 0.422 301 3HG1 VAL 42 3HG1 VAL 42 -2.939 -4.096 0.904 302 1HG2 VAL 42 1HG2 VAL 42 0.543 -4.595 -1.302 303 2HG2 VAL 42 2HG2 VAL 42 0.046 -3.069 -0.533 304 3HG2 VAL 42 3HG2 VAL 42 1.000 -4.258 0.384 305 H GLU 43 H GLU 43 -1.444 -5.102 3.318 306 HA GLU 43 HA GLU 43 -3.676 -7.054 3.535 307 1HB GLU 43 1HB GLU 43 -2.035 -5.500 5.556 308 2HB GLU 43 2HB GLU 43 -3.568 -6.293 5.990 309 1HG GLU 43 1HG GLU 43 -2.493 -8.377 4.780 310 2HG GLU 43 2HG GLU 43 -0.965 -7.524 5.091 311 H SER 44 H SER 44 -5.731 -6.307 4.379 312 HA SER 44 HA SER 44 -6.219 -3.424 4.425 313 1HB SER 44 1HB SER 44 -7.774 -5.097 2.437 314 2HB SER 44 2HB SER 44 -7.690 -3.324 2.578 315 HG SER 44 HG SER 44 -5.796 -5.137 1.564 316 H GLY 45 H GLY 45 -6.720 -4.050 6.636 317 1HA GLY 45 1HA GLY 45 -8.493 -5.987 7.492 318 2HA GLY 45 2HA GLY 45 -8.324 -4.390 8.256 319 H ASN 46 H ASN 46 -10.709 -4.899 8.689 320 HA ASN 46 HA ASN 46 -12.582 -4.842 6.529 321 1HB ASN 46 1HB ASN 46 -13.032 -5.690 8.836 322 2HB ASN 46 2HB ASN 46 -12.958 -4.018 9.431 323 1HD2 ASN 46 1HD2 ASN 46 -15.252 -5.710 9.686 324 2HD2 ASN 46 2HD2 ASN 46 -16.543 -5.017 8.727 325 H ASN 47 H ASN 47 -10.967 -2.948 5.650 326 HA ASN 47 HA ASN 47 -12.622 -0.534 5.855 327 1HB ASN 47 1HB ASN 47 -10.396 0.796 6.141 328 2HB ASN 47 2HB ASN 47 -11.168 0.087 7.575 329 1HD2 ASN 47 1HD2 ASN 47 -8.700 -0.585 5.043 330 2HD2 ASN 47 2HD2 ASN 47 -7.657 -1.547 6.068 331 H VAL 48 H VAL 48 -12.525 0.730 4.003 332 HA VAL 48 HA VAL 48 -11.179 -0.558 1.721 333 HB VAL 48 HB VAL 48 -13.064 1.828 1.784 334 1HG1 VAL 48 1HG1 VAL 48 -13.443 1.151 -0.583 335 2HG1 VAL 48 2HG1 VAL 48 -11.745 1.593 -0.280 336 3HG1 VAL 48 3HG1 VAL 48 -12.212 -0.121 -0.400 337 1HG2 VAL 48 1HG2 VAL 48 -13.622 -0.817 2.540 338 2HG2 VAL 48 2HG2 VAL 48 -14.809 0.414 2.045 339 3HG2 VAL 48 3HG2 VAL 48 -14.150 -0.722 0.843 340 H VAL 49 H VAL 49 -9.218 0.087 1.080 341 HA VAL 49 HA VAL 49 -8.520 2.957 1.394 342 HB VAL 49 HB VAL 49 -6.802 0.568 2.174 343 1HG1 VAL 49 1HG1 VAL 49 -5.828 2.764 0.969 344 2HG1 VAL 49 2HG1 VAL 49 -5.984 3.420 2.617 345 3HG1 VAL 49 3HG1 VAL 49 -4.979 1.981 2.323 346 1HG2 VAL 49 1HG2 VAL 49 -7.999 2.888 3.749 347 2HG2 VAL 49 2HG2 VAL 49 -8.463 1.174 3.872 348 3HG2 VAL 49 3HG2 VAL 49 -6.848 1.699 4.404 349 H THR 50 H THR 50 -7.430 3.816 -0.333 350 HA THR 50 HA THR 50 -7.089 2.004 -2.647 351 HB THR 50 HB THR 50 -7.424 4.975 -2.257 352 HG1 THR 50 1HG THR 50 -8.900 4.465 -4.036 353 1HG2 THR 50 1HG2 THR 50 -6.962 4.293 -5.028 354 2HG2 THR 50 2HG2 THR 50 -6.117 5.492 -4.019 355 3HG2 THR 50 3HG2 THR 50 -5.551 3.805 -4.058 356 H LEU 51 H LEU 51 -5.134 1.547 -3.549 357 HA LEU 51 HA LEU 51 -2.761 2.722 -2.183 358 1HB LEU 51 1HB LEU 51 -3.351 0.018 -3.394 359 2HB LEU 51 2HB LEU 51 -1.674 0.591 -3.231 360 HG LEU 51 HG LEU 51 -3.722 0.072 -1.057 361 1HD1 LEU 51 1HD1 LEU 51 -2.432 -1.769 -0.858 362 2HD1 LEU 51 2HD1 LEU 51 -1.279 -1.149 -2.065 363 3HD1 LEU 51 3HD1 LEU 51 -1.096 -0.708 -0.350 364 1HD2 LEU 51 1HD2 LEU 51 -1.950 1.127 0.476 365 2HD2 LEU 51 2HD2 LEU 51 -1.269 1.866 -0.994 366 3HD2 LEU 51 3HD2 LEU 51 -2.931 2.256 -0.490 367 H GLN 52 H GLN 52 -1.472 4.020 -3.350 368 HA GLN 52 HA GLN 52 -1.799 3.960 -6.312 369 1HB GLN 52 1HB GLN 52 -1.305 6.167 -4.314 370 2HB GLN 52 2HB GLN 52 -0.765 6.350 -6.000 371 1HG GLN 52 1HG GLN 52 -3.293 5.385 -6.379 372 2HG GLN 52 2HG GLN 52 -3.515 6.296 -4.870 373 1HE2 GLN 52 1HE2 GLN 52 -2.055 6.588 -8.154 374 2HE2 GLN 52 2HE2 GLN 52 -2.426 8.287 -8.356 375 H PHE 53 H PHE 53 -0.173 2.800 -7.184 376 HA PHE 53 HA PHE 53 2.582 3.476 -6.305 377 1HB PHE 53 1HB PHE 53 3.201 1.115 -6.419 378 2HB PHE 53 2HB PHE 53 1.937 1.379 -5.205 379 HD1 PHE 53 1HD PHE 53 -0.408 0.683 -5.671 380 HD2 PHE 53 2HD PHE 53 2.823 -0.263 -8.339 381 HE1 PHE 53 1HE PHE 53 -1.811 -1.051 -6.755 382 HE2 PHE 53 2HE PHE 53 1.420 -1.997 -9.424 383 HZ PHE 53 HZ PHE 53 -0.897 -2.391 -8.632 384 H GLN 54 H GLN 54 4.204 3.086 -7.950 385 HA GLN 54 HA GLN 54 3.030 3.284 -10.669 386 1HB GLN 54 1HB GLN 54 4.751 4.958 -9.468 387 2HB GLN 54 2HB GLN 54 5.928 3.794 -10.122 388 1HG GLN 54 1HG GLN 54 5.196 4.144 -12.357 389 2HG GLN 54 2HG GLN 54 3.701 4.947 -11.827 390 1HE2 GLN 54 1HE2 GLN 54 7.123 5.305 -12.495 391 2HE2 GLN 54 2HE2 GLN 54 7.208 7.038 -12.262 392 H ARG 55 H ARG 55 2.951 1.417 -11.767 393 HA ARG 55 HA ARG 55 4.221 -0.967 -11.079 394 1HB ARG 55 1HB ARG 55 2.333 -0.677 -12.704 395 2HB ARG 55 2HB ARG 55 3.501 -0.035 -13.884 396 1HG ARG 55 1HG ARG 55 4.535 -2.091 -14.186 397 2HG ARG 55 2HG ARG 55 4.107 -2.666 -12.557 398 1HD ARG 55 1HD ARG 55 2.139 -2.255 -14.845 399 2HD ARG 55 2HD ARG 55 2.814 -3.822 -14.351 400 HE ARG 55 HE ARG 55 1.693 -2.681 -12.048 401 1HH1 ARG 55 1HH1 ARG 55 -1.586 -3.896 -12.513 402 2HH1 ARG 55 2HH1 ARG 55 -0.439 -3.251 -11.361 403 1HH2 ARG 55 1HH2 ARG 55 -0.968 -4.178 -14.732 404 2HH2 ARG 55 2HH2 ARG 55 0.646 -3.747 -15.253 405 H ASN 56 H ASN 56 5.226 1.365 -13.651 406 HA ASN 56 HA ASN 56 7.971 0.227 -13.408 407 1HB ASN 56 1HB ASN 56 6.390 1.361 -15.717 408 2HB ASN 56 2HB ASN 56 8.166 1.362 -15.748 409 1HD2 ASN 56 1HD2 ASN 56 5.429 -0.387 -16.585 410 2HD2 ASN 56 2HD2 ASN 56 6.138 -1.982 -16.710 411 H LEU 57 H LEU 57 9.728 1.638 -13.243 412 HA LEU 57 HA LEU 57 9.056 4.254 -12.113 413 1HB LEU 57 1HB LEU 57 10.739 2.914 -10.994 414 2HB LEU 57 2HB LEU 57 11.671 2.751 -12.501 415 HG LEU 57 HG LEU 57 12.015 5.203 -12.553 416 1HD1 LEU 57 1HD1 LEU 57 10.815 6.620 -11.262 417 2HD1 LEU 57 2HD1 LEU 57 9.812 5.219 -10.814 418 3HD1 LEU 57 3HD1 LEU 57 11.187 5.693 -9.788 419 1HD2 LEU 57 1HD2 LEU 57 13.865 4.405 -11.478 420 2HD2 LEU 57 2HD2 LEU 57 13.137 5.186 -10.053 421 3HD2 LEU 57 3HD2 LEU 57 12.904 3.443 -10.330 422 H SER 58 H SER 58 11.225 3.032 -14.732 423 HA SER 58 HA SER 58 11.981 5.451 -15.834 424 1HB SER 58 1HB SER 58 12.853 3.302 -16.594 425 2HB SER 58 2HB SER 58 11.260 2.855 -17.249 426 HG SER 58 HG SER 58 12.185 3.709 -18.972 427 H ASP 59 H ASP 59 8.940 3.630 -16.373 428 HA ASP 59 HA ASP 59 7.929 5.929 -17.963 429 1HB ASP 59 1HB ASP 59 7.808 3.725 -19.039 430 2HB ASP 59 2HB ASP 59 6.906 3.081 -17.650 431 HA PRO 60 HA PRO 60 5.407 7.154 -14.569 432 1HB PRO 60 1HB PRO 60 3.556 8.665 -15.879 433 2HB PRO 60 2HB PRO 60 5.282 9.149 -15.792 434 1HG PRO 60 1HG PRO 60 3.904 7.650 -18.039 435 2HG PRO 60 2HG PRO 60 4.907 9.132 -18.173 436 1HD PRO 60 1HD PRO 60 5.966 6.656 -18.595 437 2HD PRO 60 2HD PRO 60 6.900 7.904 -17.716 438 H ARG 61 H ARG 61 5.011 4.487 -15.268 439 HA ARG 61 HA ARG 61 2.269 4.003 -16.056 440 1HB ARG 61 1HB ARG 61 4.638 2.408 -15.171 441 2HB ARG 61 2HB ARG 61 3.033 1.678 -14.930 442 1HG ARG 61 1HG ARG 61 2.764 2.674 -17.465 443 2HG ARG 61 2HG ARG 61 4.497 2.271 -17.449 444 1HD ARG 61 1HD ARG 61 3.751 0.010 -16.415 445 2HD ARG 61 2HD ARG 61 2.123 0.449 -16.976 446 HE ARG 61 HE ARG 61 4.344 -0.466 -18.595 447 1HH1 ARG 61 1HH1 ARG 61 2.610 0.199 -21.593 448 2HH1 ARG 61 2HH1 ARG 61 3.977 -0.619 -20.871 449 1HH2 ARG 61 1HH2 ARG 61 1.165 1.438 -20.266 450 2HH2 ARG 61 2HH2 ARG 61 1.442 1.554 -18.542 451 H LEU 62 H LEU 62 0.904 5.146 -14.662 452 HA LEU 62 HA LEU 62 1.153 4.646 -11.768 453 1HB LEU 62 1HB LEU 62 0.060 6.719 -13.486 454 2HB LEU 62 2HB LEU 62 -1.161 6.160 -12.318 455 HG LEU 62 HG LEU 62 0.594 8.053 -11.659 456 1HD1 LEU 62 1HD1 LEU 62 0.065 7.595 -9.435 457 2HD1 LEU 62 2HD1 LEU 62 -1.175 6.637 -10.280 458 3HD1 LEU 62 3HD1 LEU 62 0.281 5.839 -9.637 459 1HD2 LEU 62 1HD2 LEU 62 2.656 7.284 -10.826 460 2HD2 LEU 62 2HD2 LEU 62 2.097 5.597 -10.728 461 3HD2 LEU 62 3HD2 LEU 62 2.456 6.326 -12.312 462 H GLU 63 H GLU 63 -0.089 3.233 -10.659 463 HA GLU 63 HA GLU 63 -2.491 2.142 -12.035 464 1HB GLU 63 1HB GLU 63 -0.324 0.583 -10.574 465 2HB GLU 63 2HB GLU 63 -1.870 -0.099 -11.133 466 1HG GLU 63 1HG GLU 63 -0.217 -0.581 -12.823 467 2HG GLU 63 2HG GLU 63 -1.278 0.694 -13.462 468 H THR 64 H THR 64 -4.269 1.910 -10.748 469 HA THR 64 HA THR 64 -3.884 2.593 -7.871 470 HB THR 64 HB THR 64 -6.395 3.244 -8.135 471 HG1 THR 64 1HG THR 64 -6.835 2.523 -10.143 472 1HG2 THR 64 1HG2 THR 64 -3.887 4.635 -8.780 473 2HG2 THR 64 2HG2 THR 64 -5.299 5.365 -9.581 474 3HG2 THR 64 3HG2 THR 64 -5.273 5.186 -7.810 475 H ILE 65 H ILE 65 -4.778 1.278 -6.326 476 HA ILE 65 HA ILE 65 -6.457 -0.985 -7.252 477 HB ILE 65 HB ILE 65 -3.995 -1.632 -7.097 478 1HG1 ILE 65 1HG1 ILE 65 -5.979 -2.959 -5.200 479 2HG1 ILE 65 2HG1 ILE 65 -5.825 -3.281 -6.944 480 1HG2 ILE 65 1HG2 ILE 65 -3.834 -0.124 -4.928 481 2HG2 ILE 65 2HG2 ILE 65 -4.404 -1.597 -4.108 482 3HG2 ILE 65 3HG2 ILE 65 -2.888 -1.627 -5.040 483 1HD1 ILE 65 1HD1 ILE 65 -3.223 -3.489 -5.708 484 2HD1 ILE 65 2HD1 ILE 65 -4.381 -4.498 -4.807 485 3HD1 ILE 65 3HD1 ILE 65 -4.157 -4.744 -6.556 486 H THR 66 H THR 66 -8.210 -1.230 -5.986 487 HA THR 66 HA THR 66 -8.212 0.216 -3.389 488 HB THR 66 HB THR 66 -10.416 -0.691 -5.273 489 HG1 THR 66 1HG THR 66 -9.662 1.845 -4.239 490 1HG2 THR 66 1HG2 THR 66 -11.818 0.631 -3.480 491 2HG2 THR 66 2HG2 THR 66 -11.408 -1.075 -3.183 492 3HG2 THR 66 3HG2 THR 66 -10.473 0.216 -2.390 493 H LEU 67 H LEU 67 -8.112 -0.930 -1.557 494 HA LEU 67 HA LEU 67 -8.492 -3.859 -1.727 495 1HB LEU 67 1HB LEU 67 -7.371 -2.120 0.506 496 2HB LEU 67 2HB LEU 67 -7.340 -3.898 0.432 497 HG LEU 67 HG LEU 67 -6.204 -2.363 -1.889 498 1HD1 LEU 67 1HD1 LEU 67 -4.376 -1.565 -0.791 499 2HD1 LEU 67 2HD1 LEU 67 -5.401 -1.675 0.659 500 3HD1 LEU 67 3HD1 LEU 67 -4.273 -2.994 0.266 501 1HD2 LEU 67 1HD2 LEU 67 -4.666 -4.578 -0.791 502 2HD2 LEU 67 2HD2 LEU 67 -6.365 -5.051 -1.027 503 3HD2 LEU 67 3HD2 LEU 67 -5.419 -4.418 -2.396 504 H GLN 68 H GLN 68 -10.284 -4.821 -0.971 505 HA GLN 68 HA GLN 68 -12.337 -3.168 0.295 506 1HB GLN 68 1HB GLN 68 -12.243 -6.103 -0.507 507 2HB GLN 68 2HB GLN 68 -13.681 -5.264 0.122 508 1HG GLN 68 1HG GLN 68 -12.168 -4.158 -2.251 509 2HG GLN 68 2HG GLN 68 -13.360 -5.458 -2.468 510 1HE2 GLN 68 1HE2 GLN 68 -12.852 -2.081 -1.538 511 2HE2 GLN 68 2HE2 GLN 68 -14.534 -1.600 -1.599 512 H LYS 69 H LYS 69 -13.615 -4.593 2.102 513 HA LYS 69 HA LYS 69 -12.062 -4.403 4.438 514 1HB LYS 69 1HB LYS 69 -14.447 -6.244 4.098 515 2HB LYS 69 2HB LYS 69 -13.937 -5.350 5.550 516 1HG LYS 69 1HG LYS 69 -15.360 -3.715 4.907 517 2HG LYS 69 2HG LYS 69 -14.228 -3.373 3.576 518 1HD LYS 69 1HD LYS 69 -15.459 -5.334 2.352 519 2HD LYS 69 2HD LYS 69 -16.742 -5.059 3.555 520 1HE LYS 69 1HE LYS 69 -17.137 -2.857 2.811 521 2HE LYS 69 2HE LYS 69 -15.563 -2.752 1.992 522 1HZ LYS 69 1HZ LYS 69 -17.305 -3.034 0.424 523 2HZ LYS 69 2HZ LYS 69 -16.370 -4.392 0.430 524 3HZ LYS 69 3HZ LYS 69 -17.845 -4.403 1.167 525 H TRP 70 H TRP 70 -10.516 -5.662 5.295 526 HA TRP 70 HA TRP 70 -9.156 -7.466 5.657 527 1HB TRP 70 1HB TRP 70 -11.540 -9.112 4.766 528 2HB TRP 70 2HB TRP 70 -10.179 -9.653 5.758 529 HD1 TRP 70 HD TRP 70 -13.621 -8.525 6.047 530 HE1 TRP 70 1HE TRP 70 -14.241 -7.875 8.430 531 HE3 TRP 70 3HE TRP 70 -8.922 -8.250 8.057 532 HZ2 TRP 70 2HZ TRP 70 -12.872 -7.301 10.915 533 HZ3 TRP 70 3HZ TRP 70 -8.620 -7.649 10.431 534 HH2 TRP 70 HH TRP 70 -10.580 -7.172 11.870 535 H GLY 71 H GLY 71 -9.380 -6.172 2.966 536 1HA GLY 71 1HA GLY 71 -8.965 -8.340 1.054 537 2HA GLY 71 2HA GLY 71 -8.837 -6.594 0.745 538 H SER 72 H SER 72 -6.981 -8.688 -0.115 539 HA SER 72 HA SER 72 -4.546 -7.601 1.184 540 1HB SER 72 1HB SER 72 -4.403 -10.453 0.411 541 2HB SER 72 2HB SER 72 -3.770 -9.625 1.854 542 HG SER 72 HG SER 72 -5.628 -9.919 2.864 543 H TRP 73 H TRP 73 -2.609 -7.848 -0.174 544 HA TRP 73 HA TRP 73 -3.307 -8.179 -3.053 545 1HB TRP 73 1HB TRP 73 -3.015 -5.789 -2.255 546 2HB TRP 73 2HB TRP 73 -1.329 -6.193 -1.906 547 HD1 TRP 73 HD TRP 73 -2.867 -7.659 -5.030 548 HE1 TRP 73 1HE TRP 73 -1.870 -6.577 -7.108 549 HE3 TRP 73 3HE TRP 73 -0.256 -3.868 -2.792 550 HZ2 TRP 73 2HZ TRP 73 -0.147 -4.338 -7.735 551 HZ3 TRP 73 3HZ TRP 73 1.049 -2.283 -4.161 552 HH2 TRP 73 HH TRP 73 1.115 -2.504 -6.627 553 H ASN 74 H ASN 74 -1.976 -9.481 -4.210 554 HA ASN 74 HA ASN 74 0.676 -10.142 -3.070 555 1HB ASN 74 1HB ASN 74 0.255 -12.547 -3.458 556 2HB ASN 74 2HB ASN 74 -0.850 -11.871 -2.241 557 1HD2 ASN 74 1HD2 ASN 74 -1.173 -14.270 -3.972 558 2HD2 ASN 74 2HD2 ASN 74 -2.644 -14.005 -4.883 559 HA PRO 75 HA PRO 75 0.626 -9.333 -7.646 560 1HB PRO 75 1HB PRO 75 2.552 -7.406 -7.673 561 2HB PRO 75 2HB PRO 75 0.854 -7.041 -7.222 562 1HG PRO 75 1HG PRO 75 3.163 -7.647 -5.352 563 2HG PRO 75 2HG PRO 75 2.049 -6.242 -5.286 564 1HD PRO 75 1HD PRO 75 1.623 -8.468 -3.770 565 2HD PRO 75 2HD PRO 75 0.250 -7.621 -4.544 566 H GLY 76 H GLY 76 3.849 -8.472 -6.490 567 1HA GLY 76 1HA GLY 76 5.174 -10.852 -6.224 568 2HA GLY 76 2HA GLY 76 5.010 -10.678 -7.986 569 H HIS 77 H HIS 77 5.842 -8.620 -5.134 570 HA HIS 77 HA HIS 77 7.593 -7.184 -4.790 571 1HB HIS 77 1HB HIS 77 8.991 -9.078 -5.526 572 2HB HIS 77 2HB HIS 77 8.783 -8.577 -7.214 573 HD1 HIS 77 1HD HIS 77 9.410 -5.535 -7.082 574 HD2 HIS 77 2HD HIS 77 11.460 -8.529 -4.929 575 HE1 HIS 77 1HE HIS 77 11.718 -4.569 -6.497 576 HE2 HIS 77 2HE HIS 77 12.954 -6.396 -5.190 577 H ILE 78 H ILE 78 6.572 -5.247 -5.173 578 HA ILE 78 HA ILE 78 6.310 -4.327 -7.967 579 HB ILE 78 HB ILE 78 5.386 -3.087 -5.345 580 1HG1 ILE 78 1HG1 ILE 78 4.452 -5.402 -6.449 581 2HG1 ILE 78 2HG1 ILE 78 3.428 -4.255 -5.550 582 1HG2 ILE 78 1HG2 ILE 78 4.946 -2.424 -8.279 583 2HG2 ILE 78 2HG2 ILE 78 3.861 -1.841 -6.994 584 3HG2 ILE 78 3HG2 ILE 78 5.576 -1.364 -6.995 585 1HD1 ILE 78 1HD1 ILE 78 2.589 -4.996 -7.877 586 2HD1 ILE 78 2HD1 ILE 78 2.618 -3.247 -7.550 587 3HD1 ILE 78 3HD1 ILE 78 3.899 -3.989 -8.538 588 H HIS 79 H HIS 79 7.274 -2.408 -8.727 589 HA HIS 79 HA HIS 79 9.915 -1.934 -8.084 590 1HB HIS 79 1HB HIS 79 9.153 -0.988 -10.074 591 2HB HIS 79 2HB HIS 79 7.739 -0.247 -9.301 592 HD1 HIS 79 1HD HIS 79 11.532 0.198 -8.526 593 HD2 HIS 79 2HD HIS 79 8.016 2.323 -9.487 594 HE1 HIS 79 1HE HIS 79 12.144 2.693 -8.470 595 HE2 HIS 79 2HE HIS 79 10.000 3.973 -9.054 596 H GLU 80 H GLU 80 7.450 0.561 -7.294 597 HA GLU 80 HA GLU 80 8.223 0.606 -4.493 598 1HB GLU 80 1HB GLU 80 10.123 1.791 -5.623 599 2HB GLU 80 2HB GLU 80 8.955 2.977 -6.252 600 1HG GLU 80 1HG GLU 80 8.256 2.984 -3.629 601 2HG GLU 80 2HG GLU 80 9.980 2.584 -3.478 602 H ILE 81 H ILE 81 6.810 1.886 -3.235 603 HA ILE 81 HA ILE 81 4.243 2.384 -4.527 604 HB ILE 81 HB ILE 81 5.231 2.700 -1.667 605 1HG1 ILE 81 1HG1 ILE 81 5.040 0.375 -2.787 606 2HG1 ILE 81 2HG1 ILE 81 4.164 0.615 -1.256 607 1HG2 ILE 81 1HG2 ILE 81 3.386 4.010 -1.451 608 2HG2 ILE 81 2HG2 ILE 81 2.749 3.525 -3.041 609 3HG2 ILE 81 3HG2 ILE 81 2.470 2.493 -1.618 610 1HD1 ILE 81 1HD1 ILE 81 3.064 -0.273 -3.676 611 2HD1 ILE 81 2HD1 ILE 81 2.159 0.307 -2.257 612 3HD1 ILE 81 3HD1 ILE 81 2.568 1.433 -3.574 613 H LEU 82 H LEU 82 3.303 4.348 -4.952 614 HA LEU 82 HA LEU 82 5.118 6.659 -4.933 615 1HB LEU 82 1HB LEU 82 2.276 6.403 -5.988 616 2HB LEU 82 2HB LEU 82 3.449 7.689 -6.360 617 HG LEU 82 HG LEU 82 3.319 4.869 -7.352 618 1HD1 LEU 82 1HD1 LEU 82 2.888 6.332 -9.078 619 2HD1 LEU 82 2HD1 LEU 82 3.846 7.642 -8.347 620 3HD1 LEU 82 3HD1 LEU 82 4.664 6.311 -9.199 621 1HD2 LEU 82 1HD2 LEU 82 5.840 5.098 -7.874 622 2HD2 LEU 82 2HD2 LEU 82 5.869 6.326 -6.587 623 3HD2 LEU 82 3HD2 LEU 82 5.394 4.653 -6.210 624 H SER 83 H SER 83 1.643 6.184 -4.066 625 HA SER 83 HA SER 83 2.128 7.640 -1.546 626 1HB SER 83 1HB SER 83 1.477 9.234 -3.495 627 2HB SER 83 2HB SER 83 -0.136 8.492 -3.361 628 HG SER 83 HG SER 83 1.136 10.258 -1.700 629 H ILE 84 H ILE 84 0.007 7.666 -0.228 630 HA ILE 84 HA ILE 84 -1.566 5.204 -0.799 631 HB ILE 84 HB ILE 84 -0.109 6.025 1.719 632 1HG1 ILE 84 1HG1 ILE 84 -0.510 3.295 0.444 633 2HG1 ILE 84 2HG1 ILE 84 0.805 4.392 -0.041 634 1HG2 ILE 84 1HG2 ILE 84 -2.434 5.710 2.403 635 2HG2 ILE 84 2HG2 ILE 84 -2.536 4.199 1.467 636 3HG2 ILE 84 3HG2 ILE 84 -1.483 4.289 2.899 637 1HD1 ILE 84 1HD1 ILE 84 1.787 3.033 1.631 638 2HD1 ILE 84 2HD1 ILE 84 1.352 4.526 2.496 639 3HD1 ILE 84 3HD1 ILE 84 0.328 3.078 2.649 640 H ARG 85 H ARG 85 -3.727 5.481 -0.647 641 HA ARG 85 HA ARG 85 -4.681 7.973 0.686 642 1HB ARG 85 1HB ARG 85 -4.863 8.188 -1.740 643 2HB ARG 85 2HB ARG 85 -5.699 6.619 -1.843 644 1HG ARG 85 1HG ARG 85 -7.610 7.451 -0.665 645 2HG ARG 85 2HG ARG 85 -6.746 8.922 -0.157 646 1HD ARG 85 1HD ARG 85 -7.780 9.861 -1.956 647 2HD ARG 85 2HD ARG 85 -6.473 9.080 -2.873 648 HE ARG 85 HE ARG 85 -8.625 7.236 -2.522 649 1HH1 ARG 85 1HH1 ARG 85 -10.108 7.958 -5.639 650 2HH1 ARG 85 2HH1 ARG 85 -10.027 6.823 -4.311 651 1HH2 ARG 85 1HH2 ARG 85 -8.808 9.880 -5.604 652 2HH2 ARG 85 2HH2 ARG 85 -7.746 10.193 -4.249 653 H ILE 86 H ILE 86 -6.183 7.693 2.241 654 HA ILE 86 HA ILE 86 -7.439 4.996 2.436 655 HB ILE 86 HB ILE 86 -6.789 6.947 4.678 656 1HG1 ILE 86 1HG1 ILE 86 -5.407 4.303 4.240 657 2HG1 ILE 86 2HG1 ILE 86 -4.867 5.728 3.320 658 1HG2 ILE 86 1HG2 ILE 86 -8.036 5.579 5.965 659 2HG2 ILE 86 2HG2 ILE 86 -8.538 4.709 4.495 660 3HG2 ILE 86 3HG2 ILE 86 -7.111 4.164 5.409 661 1HD1 ILE 86 1HD1 ILE 86 -3.577 5.563 5.394 662 2HD1 ILE 86 2HD1 ILE 86 -4.646 6.984 5.475 663 3HD1 ILE 86 3HD1 ILE 86 -5.075 5.496 6.352 664 H TYR 87 H TYR 87 -9.638 4.885 2.620 665 HA TYR 87 HA TYR 87 -11.109 7.365 2.115 666 1HB TYR 87 1HB TYR 87 -11.807 4.426 2.240 667 2HB TYR 87 2HB TYR 87 -13.056 5.676 2.118 668 HD1 TYR 87 1HD TYR 87 -13.833 6.169 0.001 669 HD2 TYR 87 2HD TYR 87 -9.791 4.790 0.466 670 HE1 TYR 87 1HE TYR 87 -13.527 6.236 -2.460 671 HE2 TYR 87 2HE TYR 87 -9.485 4.856 -1.994 672 HH TYR 87 HH TYR 87 -12.065 5.977 -4.199 Start of MODEL 7 1 H MET 1 H MET 1 -3.382 13.123 10.753 2 HA MET 1 HA MET 1 -3.960 12.316 8.666 3 1HB MET 1 1HB MET 1 -2.563 12.710 6.737 4 2HB MET 1 2HB MET 1 -2.520 14.176 7.746 5 1HG MET 1 1HG MET 1 -0.477 12.287 8.578 6 2HG MET 1 2HG MET 1 -0.328 12.635 6.847 7 1HE MET 1 1HE MET 1 0.728 15.152 5.930 8 2HE MET 1 2HE MET 1 -1.038 15.101 6.142 9 3HE MET 1 3HE MET 1 -0.108 16.490 6.754 10 H ILE 2 H ILE 2 -2.398 10.773 6.879 11 HA ILE 2 HA ILE 2 -2.354 8.282 8.186 12 HB ILE 2 HB ILE 2 -2.537 8.424 5.786 13 1HG1 ILE 2 1HG1 ILE 2 0.196 7.290 6.517 14 2HG1 ILE 2 2HG1 ILE 2 -1.354 6.442 6.732 15 1HG2 ILE 2 1HG2 ILE 2 -1.393 10.429 5.235 16 2HG2 ILE 2 2HG2 ILE 2 0.105 9.894 6.034 17 3HG2 ILE 2 3HG2 ILE 2 -0.403 9.145 4.501 18 1HD1 ILE 2 1HD1 ILE 2 0.264 6.733 4.331 19 2HD1 ILE 2 2HD1 ILE 2 -1.160 5.703 4.609 20 3HD1 ILE 2 3HD1 ILE 2 -1.371 7.385 4.066 21 H ASN 3 H ASN 3 -0.807 7.106 9.247 22 HA ASN 3 HA ASN 3 1.933 8.224 9.378 23 1HB ASN 3 1HB ASN 3 -0.038 8.411 11.460 24 2HB ASN 3 2HB ASN 3 1.229 7.278 11.978 25 1HD2 ASN 3 1HD2 ASN 3 0.389 10.333 12.417 26 2HD2 ASN 3 2HD2 ASN 3 1.943 11.138 12.409 27 H ARG 4 H ARG 4 3.533 6.679 9.658 28 HA ARG 4 HA ARG 4 2.775 3.967 8.985 29 1HB ARG 4 1HB ARG 4 4.897 5.308 8.311 30 2HB ARG 4 2HB ARG 4 5.508 4.864 9.923 31 1HG ARG 4 1HG ARG 4 4.534 2.453 9.045 32 2HG ARG 4 2HG ARG 4 5.088 3.176 7.516 33 1HD ARG 4 1HD ARG 4 7.266 2.964 8.086 34 2HD ARG 4 2HD ARG 4 6.981 3.600 9.721 35 HE ARG 4 HE ARG 4 7.204 0.827 8.949 36 1HH1 ARG 4 1HH1 ARG 4 6.099 -0.311 12.099 37 2HH1 ARG 4 2HH1 ARG 4 6.889 -0.755 10.603 38 1HH2 ARG 4 1HH2 ARG 4 5.367 1.867 12.423 39 2HH2 ARG 4 2HH2 ARG 4 5.605 3.065 11.171 40 H THR 5 H THR 5 1.924 2.612 10.455 41 HA THR 5 HA THR 5 3.036 2.731 13.220 42 HB THR 5 HB THR 5 0.685 3.438 13.125 43 HG1 THR 5 1HG THR 5 0.404 2.325 14.866 44 1HG2 THR 5 1HG2 THR 5 -1.032 1.765 12.380 45 2HG2 THR 5 2HG2 THR 5 0.015 2.327 11.055 46 3HG2 THR 5 3HG2 THR 5 0.288 0.728 11.788 47 H ASP 6 H ASP 6 3.347 0.720 14.307 48 HA ASP 6 HA ASP 6 4.005 -1.457 12.441 49 1HB ASP 6 1HB ASP 6 5.307 -0.434 14.593 50 2HB ASP 6 2HB ASP 6 4.413 -1.758 15.372 51 H CYS 7 H CYS 7 1.211 -0.897 12.745 52 HA CYS 7 HA CYS 7 -0.757 -2.005 13.107 53 1HB CYS 7 1HB CYS 7 0.305 -4.592 13.888 54 2HB CYS 7 2HB CYS 7 -0.636 -4.140 12.457 55 H ASN 8 H ASN 8 -1.443 -0.937 14.958 56 HA ASN 8 HA ASN 8 -0.534 -2.006 17.564 57 1HB ASN 8 1HB ASN 8 -1.844 -0.017 18.428 58 2HB ASN 8 2HB ASN 8 -0.447 0.382 17.406 59 1HD2 ASN 8 1HD2 ASN 8 -0.855 0.869 15.099 60 2HD2 ASN 8 2HD2 ASN 8 -2.376 1.611 14.650 61 H GLU 9 H GLU 9 -3.485 -1.463 15.599 62 HA GLU 9 HA GLU 9 -4.933 -3.254 17.493 63 1HB GLU 9 1HB GLU 9 -5.569 -0.674 16.638 64 2HB GLU 9 2HB GLU 9 -6.581 -1.724 15.618 65 1HG GLU 9 1HG GLU 9 -6.704 -2.867 18.187 66 2HG GLU 9 2HG GLU 9 -6.818 -1.115 18.462 67 H ASN 10 H ASN 10 -7.034 -4.075 16.039 68 HA ASN 10 HA ASN 10 -5.729 -5.659 13.897 69 1HB ASN 10 1HB ASN 10 -7.477 -6.292 16.024 70 2HB ASN 10 2HB ASN 10 -8.449 -6.430 14.543 71 1HD2 ASN 10 1HD2 ASN 10 -6.367 -8.071 16.602 72 2HD2 ASN 10 2HD2 ASN 10 -5.833 -9.336 15.516 73 H SER 11 H SER 11 -6.838 -5.988 11.869 74 HA SER 11 HA SER 11 -8.115 -5.347 10.070 75 1HB SER 11 1HB SER 11 -10.218 -4.425 10.408 76 2HB SER 11 2HB SER 11 -9.889 -5.107 12.019 77 HG SER 11 HG SER 11 -9.650 -2.426 11.147 78 H TYR 12 H TYR 12 -6.210 -4.385 9.197 79 HA TYR 12 HA TYR 12 -6.489 -1.542 8.738 80 1HB TYR 12 1HB TYR 12 -4.424 -2.619 10.631 81 2HB TYR 12 2HB TYR 12 -3.986 -1.277 9.561 82 HD1 TYR 12 1HD TYR 12 -6.574 0.212 9.469 83 HD2 TYR 12 2HD TYR 12 -4.498 -1.618 12.755 84 HE1 TYR 12 1HE TYR 12 -7.644 1.810 11.035 85 HE2 TYR 12 2HE TYR 12 -5.568 -0.020 14.321 86 HH TYR 12 HH TYR 12 -7.549 1.466 14.459 87 H LEU 13 H LEU 13 -4.484 -0.776 7.395 88 HA LEU 13 HA LEU 13 -4.041 -2.873 5.370 89 1HB LEU 13 1HB LEU 13 -4.719 -0.929 4.302 90 2HB LEU 13 2HB LEU 13 -3.895 0.128 5.474 91 HG LEU 13 HG LEU 13 -1.724 -1.090 4.498 92 1HD1 LEU 13 1HD1 LEU 13 -3.922 -1.765 2.639 93 2HD1 LEU 13 2HD1 LEU 13 -2.511 -1.023 1.848 94 3HD1 LEU 13 3HD1 LEU 13 -2.312 -2.503 2.816 95 1HD2 LEU 13 1HD2 LEU 13 -1.332 1.006 3.755 96 2HD2 LEU 13 2HD2 LEU 13 -2.587 0.853 2.502 97 3HD2 LEU 13 3HD2 LEU 13 -3.027 1.387 4.142 98 H GLU 14 H GLU 14 -2.098 -3.815 4.968 99 HA GLU 14 HA GLU 14 0.314 -2.637 6.217 100 1HB GLU 14 1HB GLU 14 -0.485 -5.556 6.519 101 2HB GLU 14 2HB GLU 14 0.957 -4.762 7.197 102 1HG GLU 14 1HG GLU 14 -0.350 -4.498 9.043 103 2HG GLU 14 2HG GLU 14 -1.024 -3.126 8.138 104 H ILE 15 H ILE 15 1.741 -2.380 4.614 105 HA ILE 15 HA ILE 15 1.648 -4.300 2.343 106 HB ILE 15 HB ILE 15 2.869 -1.518 2.528 107 1HG1 ILE 15 1HG1 ILE 15 0.500 -2.203 0.818 108 2HG1 ILE 15 2HG1 ILE 15 0.229 -1.996 2.565 109 1HG2 ILE 15 1HG2 ILE 15 3.940 -2.138 0.641 110 2HG2 ILE 15 2HG2 ILE 15 3.113 -3.714 0.636 111 3HG2 ILE 15 3HG2 ILE 15 2.349 -2.305 -0.139 112 1HD1 ILE 15 1HD1 ILE 15 0.429 0.246 2.394 113 2HD1 ILE 15 2HD1 ILE 15 1.982 0.092 1.537 114 3HD1 ILE 15 3HD1 ILE 15 0.453 0.045 0.625 115 H HIS 16 H HIS 16 3.220 -5.782 2.218 116 HA HIS 16 HA HIS 16 5.782 -5.193 3.628 117 1HB HIS 16 1HB HIS 16 5.959 -7.603 4.026 118 2HB HIS 16 2HB HIS 16 4.472 -6.950 4.737 119 HD1 HIS 16 1HD HIS 16 5.656 -9.469 2.181 120 HD2 HIS 16 2HD HIS 16 2.115 -7.536 3.418 121 HE1 HIS 16 1HE HIS 16 3.703 -10.785 1.151 122 HE2 HIS 16 2HE HIS 16 1.558 -9.601 1.909 123 H ASN 17 H ASN 17 7.099 -4.515 1.993 124 HA ASN 17 HA ASN 17 7.086 -6.085 -0.526 125 1HB ASN 17 1HB ASN 17 8.447 -4.168 -1.378 126 2HB ASN 17 2HB ASN 17 6.830 -3.694 -0.815 127 1HD2 ASN 17 1HD2 ASN 17 8.586 -1.672 -1.005 128 2HD2 ASN 17 2HD2 ASN 17 9.179 -1.181 0.567 129 H ASN 18 H ASN 18 9.608 -5.731 -1.457 130 HA ASN 18 HA ASN 18 11.717 -6.611 -1.342 131 1HB ASN 18 1HB ASN 18 11.251 -5.487 1.393 132 2HB ASN 18 2HB ASN 18 12.656 -6.551 1.166 133 1HD2 ASN 18 1HD2 ASN 18 11.904 -3.408 1.333 134 2HD2 ASN 18 2HD2 ASN 18 13.019 -2.728 0.168 135 H GLU 19 H GLU 19 9.324 -8.328 -1.022 136 HA GLU 19 HA GLU 19 8.918 -10.557 -0.688 137 1HB GLU 19 1HB GLU 19 11.910 -10.538 -0.171 138 2HB GLU 19 2HB GLU 19 10.930 -12.024 -0.159 139 1HG GLU 19 1HG GLU 19 10.156 -11.510 -2.464 140 2HG GLU 19 2HG GLU 19 11.181 -10.058 -2.473 141 H GLY 20 H GLY 20 8.106 -8.903 1.309 142 1HA GLY 20 1HA GLY 20 7.429 -8.950 3.502 143 2HA GLY 20 2HA GLY 20 7.945 -10.651 3.548 144 H ARG 21 H ARG 21 9.900 -7.714 2.889 145 HA ARG 21 HA ARG 21 11.718 -8.549 5.072 146 1HB ARG 21 1HB ARG 21 12.491 -8.069 2.670 147 2HB ARG 21 2HB ARG 21 12.155 -6.357 3.022 148 1HG ARG 21 1HG ARG 21 13.590 -7.233 5.258 149 2HG ARG 21 2HG ARG 21 14.397 -8.038 3.891 150 1HD ARG 21 1HD ARG 21 14.096 -5.593 2.806 151 2HD ARG 21 2HD ARG 21 14.137 -5.121 4.519 152 HE ARG 21 HE ARG 21 16.355 -6.058 2.912 153 1HH1 ARG 21 1HH1 ARG 21 18.479 -6.275 5.719 154 2HH1 ARG 21 2HH1 ARG 21 18.399 -6.252 3.972 155 1HH2 ARG 21 1HH2 ARG 21 16.534 -6.109 6.973 156 2HH2 ARG 21 2HH2 ARG 21 14.986 -5.962 6.170 157 H ASP 22 H ASP 22 10.054 -5.613 3.798 158 HA ASP 22 HA ASP 22 10.086 -4.560 6.587 159 1HB ASP 22 1HB ASP 22 10.617 -3.159 3.952 160 2HB ASP 22 2HB ASP 22 10.151 -2.277 5.423 161 H THR 23 H THR 23 8.063 -4.499 7.362 162 HA THR 23 HA THR 23 5.836 -4.220 5.419 163 HB THR 23 HB THR 23 5.857 -5.103 8.332 164 HG1 THR 23 1HG THR 23 6.190 -7.007 7.541 165 1HG2 THR 23 1HG2 THR 23 3.670 -5.152 6.208 166 2HG2 THR 23 2HG2 THR 23 3.535 -5.801 7.859 167 3HG2 THR 23 3HG2 THR 23 3.731 -4.051 7.605 168 H LEU 24 H LEU 24 4.159 -2.694 5.782 169 HA LEU 24 HA LEU 24 4.786 -0.578 7.773 170 1HB LEU 24 1HB LEU 24 3.788 0.091 5.001 171 2HB LEU 24 2HB LEU 24 4.600 1.140 6.188 172 HG LEU 24 HG LEU 24 6.333 -1.080 5.621 173 1HD1 LEU 24 1HD1 LEU 24 5.980 0.418 3.076 174 2HD1 LEU 24 2HD1 LEU 24 6.383 -1.295 3.346 175 3HD1 LEU 24 3HD1 LEU 24 4.692 -0.750 3.456 176 1HD2 LEU 24 1HD2 LEU 24 6.290 1.897 5.449 177 2HD2 LEU 24 2HD2 LEU 24 7.488 0.815 6.198 178 3HD2 LEU 24 3HD2 LEU 24 7.502 1.075 4.437 179 H CYS 25 H CYS 25 3.103 -0.601 9.142 180 HA CYS 25 HA CYS 25 0.428 -1.310 8.102 181 1HB CYS 25 1HB CYS 25 1.131 -0.730 10.975 182 2HB CYS 25 2HB CYS 25 -0.156 -1.759 10.327 183 H PHE 26 H PHE 26 -0.873 0.289 7.437 184 HA PHE 26 HA PHE 26 -0.487 2.980 8.652 185 1HB PHE 26 1HB PHE 26 -1.652 2.098 5.992 186 2HB PHE 26 2HB PHE 26 -1.679 3.766 6.590 187 HD1 PHE 26 1HD PHE 26 0.208 1.273 4.822 188 HD2 PHE 26 2HD PHE 26 0.574 4.889 7.112 189 HE1 PHE 26 1HE PHE 26 2.464 1.650 3.865 190 HE2 PHE 26 2HE PHE 26 2.831 5.266 6.154 191 HZ PHE 26 HZ PHE 26 3.776 3.647 4.530 192 H ALA 27 H ALA 27 -2.335 4.185 9.291 193 HA ALA 27 HA ALA 27 -4.890 2.690 9.395 194 1HB ALA 27 1HB ALA 27 -4.982 3.684 11.848 195 2HB ALA 27 2HB ALA 27 -4.173 2.131 11.530 196 3HB ALA 27 3HB ALA 27 -3.209 3.616 11.711 197 H ASN 28 H ASN 28 -6.609 4.271 10.444 198 HA ASN 28 HA ASN 28 -7.763 6.243 10.282 199 1HB ASN 28 1HB ASN 28 -4.912 7.223 10.151 200 2HB ASN 28 2HB ASN 28 -6.261 8.351 9.895 201 1HD2 ASN 28 1HD2 ASN 28 -7.082 9.319 11.664 202 2HD2 ASN 28 2HD2 ASN 28 -6.941 8.725 13.304 203 H ALA 29 H ALA 29 -8.818 7.415 8.671 204 HA ALA 29 HA ALA 29 -8.503 6.457 6.009 205 1HB ALA 29 1HB ALA 29 -10.091 8.411 5.512 206 2HB ALA 29 2HB ALA 29 -10.658 7.204 6.691 207 3HB ALA 29 3HB ALA 29 -10.023 8.769 7.254 208 H GLY 30 H GLY 30 -6.595 8.600 7.767 209 1HA GLY 30 1HA GLY 30 -6.003 10.766 6.205 210 2HA GLY 30 2HA GLY 30 -4.763 9.824 7.063 211 H THR 31 H THR 31 -4.416 11.201 4.529 212 HA THR 31 HA THR 31 -3.638 8.851 2.903 213 HB THR 31 HB THR 31 -5.255 11.243 1.956 214 HG1 THR 31 1HG THR 31 -6.777 9.820 1.957 215 1HG2 THR 31 1HG2 THR 31 -4.921 10.366 -0.316 216 2HG2 THR 31 2HG2 THR 31 -3.349 10.760 0.421 217 3HG2 THR 31 3HG2 THR 31 -3.884 9.066 0.320 218 H MET 32 H MET 32 -1.508 8.987 2.554 219 HA MET 32 HA MET 32 -0.350 11.643 1.952 220 1HB MET 32 1HB MET 32 1.458 11.326 3.535 221 2HB MET 32 2HB MET 32 -0.085 11.184 4.409 222 1HG MET 32 1HG MET 32 0.237 8.996 4.881 223 2HG MET 32 2HG MET 32 0.879 8.645 3.268 224 1HE MET 32 1HE MET 32 1.857 6.940 5.041 225 2HE MET 32 2HE MET 32 3.476 7.167 5.745 226 3HE MET 32 3HE MET 32 2.036 7.739 6.622 227 HA PRO 33 HA PRO 33 1.902 9.393 -1.067 228 1HB PRO 33 1HB PRO 33 4.200 10.839 -1.294 229 2HB PRO 33 2HB PRO 33 2.603 11.528 -1.731 230 1HG PRO 33 1HG PRO 33 4.076 11.831 0.901 231 2HG PRO 33 2HG PRO 33 3.397 13.138 -0.122 232 1HD PRO 33 1HD PRO 33 2.007 12.117 1.989 233 2HD PRO 33 2HD PRO 33 1.167 12.526 0.462 234 H VAL 34 H VAL 34 3.035 7.519 -1.000 235 HA VAL 34 HA VAL 34 5.144 7.239 1.078 236 HB VAL 34 HB VAL 34 4.326 5.069 1.690 237 1HG1 VAL 34 1HG1 VAL 34 2.246 7.259 1.533 238 2HG1 VAL 34 2HG1 VAL 34 1.834 5.678 2.238 239 3HG1 VAL 34 3HG1 VAL 34 3.138 6.658 2.951 240 1HG2 VAL 34 1HG2 VAL 34 2.046 5.370 -0.288 241 2HG2 VAL 34 2HG2 VAL 34 3.584 4.603 -0.753 242 3HG2 VAL 34 3HG2 VAL 34 2.600 3.903 0.555 243 H ALA 35 H ALA 35 6.649 5.424 0.591 244 HA ALA 35 HA ALA 35 6.777 4.858 -2.330 245 1HB ALA 35 1HB ALA 35 9.117 5.318 -2.350 246 2HB ALA 35 2HB ALA 35 8.361 6.694 -1.511 247 3HB ALA 35 3HB ALA 35 9.186 5.425 -0.574 248 H ILE 36 H ILE 36 6.453 2.722 -2.537 249 HA ILE 36 HA ILE 36 7.916 0.933 -0.658 250 HB ILE 36 HB ILE 36 5.051 0.757 -1.647 251 1HG1 ILE 36 1HG1 ILE 36 5.622 0.138 1.146 252 2HG1 ILE 36 2HG1 ILE 36 6.253 1.743 0.705 253 1HG2 ILE 36 1HG2 ILE 36 6.512 -1.405 -1.822 254 2HG2 ILE 36 2HG2 ILE 36 6.466 -1.385 -0.043 255 3HG2 ILE 36 3HG2 ILE 36 4.951 -1.499 -0.971 256 1HD1 ILE 36 1HD1 ILE 36 3.432 0.754 0.802 257 2HD1 ILE 36 2HD1 ILE 36 4.089 2.367 1.171 258 3HD1 ILE 36 3HD1 ILE 36 3.845 1.872 -0.521 259 H TYR 37 H TYR 37 9.482 0.002 -1.843 260 HA TYR 37 HA TYR 37 8.896 -0.630 -4.684 261 1HB TYR 37 1HB TYR 37 11.526 -0.559 -3.168 262 2HB TYR 37 2HB TYR 37 11.327 -0.818 -4.910 263 HD1 TYR 37 1HD TYR 37 10.602 1.676 -2.206 264 HD2 TYR 37 2HD TYR 37 11.377 0.997 -6.376 265 HE1 TYR 37 1HE TYR 37 10.715 4.124 -2.584 266 HE2 TYR 37 2HE TYR 37 11.489 3.445 -6.754 267 HH TYR 37 HH TYR 37 12.066 5.636 -4.853 268 H GLY 38 H GLY 38 8.744 -2.704 -5.381 269 1HA GLY 38 1HA GLY 38 8.956 -5.010 -5.365 270 2HA GLY 38 2HA GLY 38 9.937 -4.895 -3.886 271 H VAL 39 H VAL 39 6.546 -4.288 -4.976 272 HA VAL 39 HA VAL 39 5.528 -4.900 -2.310 273 HB VAL 39 HB VAL 39 4.109 -4.382 -4.954 274 1HG1 VAL 39 1HG1 VAL 39 3.196 -5.266 -2.344 275 2HG1 VAL 39 2HG1 VAL 39 2.547 -3.648 -2.703 276 3HG1 VAL 39 3HG1 VAL 39 2.253 -4.995 -3.829 277 1HG2 VAL 39 1HG2 VAL 39 3.791 -2.111 -4.045 278 2HG2 VAL 39 2HG2 VAL 39 4.712 -2.555 -2.588 279 3HG2 VAL 39 3HG2 VAL 39 5.525 -2.495 -4.171 280 H ASN 40 H ASN 40 5.198 -6.914 -1.593 281 HA ASN 40 HA ASN 40 4.907 -9.078 -3.605 282 1HB ASN 40 1HB ASN 40 5.839 -8.923 -0.743 283 2HB ASN 40 2HB ASN 40 5.247 -10.463 -1.402 284 1HD2 ASN 40 1HD2 ASN 40 7.079 -7.815 -3.007 285 2HD2 ASN 40 2HD2 ASN 40 8.461 -8.797 -3.440 286 H TRP 41 H TRP 41 3.428 -7.690 -0.645 287 HA TRP 41 HA TRP 41 0.797 -8.499 -1.553 288 1HB TRP 41 1HB TRP 41 1.385 -10.623 -0.673 289 2HB TRP 41 2HB TRP 41 2.164 -9.908 0.745 290 HD1 TRP 41 HD TRP 41 0.097 -8.205 2.072 291 HE1 TRP 41 1HE TRP 41 -2.107 -9.086 2.994 292 HE3 TRP 41 3HE TRP 41 -0.293 -12.480 -0.717 293 HZ2 TRP 41 2HZ TRP 41 -3.839 -11.368 2.579 294 HZ3 TRP 41 3HZ TRP 41 -2.231 -13.979 -0.425 295 HH2 TRP 41 HH TRP 41 -4.008 -13.440 1.214 296 H VAL 42 H VAL 42 -0.886 -7.531 -0.294 297 HA VAL 42 HA VAL 42 0.066 -5.618 1.775 298 HB VAL 42 HB VAL 42 -1.616 -5.077 -0.688 299 1HG1 VAL 42 1HG1 VAL 42 -1.538 -3.651 1.985 300 2HG1 VAL 42 2HG1 VAL 42 -1.886 -2.763 0.482 301 3HG1 VAL 42 3HG1 VAL 42 -2.951 -4.094 0.997 302 1HG2 VAL 42 1HG2 VAL 42 0.757 -4.689 -0.961 303 2HG2 VAL 42 2HG2 VAL 42 -0.026 -3.102 -0.768 304 3HG2 VAL 42 3HG2 VAL 42 0.850 -3.835 0.598 305 H GLU 43 H GLU 43 -1.477 -5.108 3.389 306 HA GLU 43 HA GLU 43 -3.697 -7.083 3.521 307 1HB GLU 43 1HB GLU 43 -2.166 -5.541 5.645 308 2HB GLU 43 2HB GLU 43 -3.624 -6.503 5.986 309 1HG GLU 43 1HG GLU 43 -1.347 -7.746 4.449 310 2HG GLU 43 2HG GLU 43 -1.229 -7.598 6.215 311 H SER 44 H SER 44 -5.753 -6.361 4.427 312 HA SER 44 HA SER 44 -6.257 -3.487 4.542 313 1HB SER 44 1HB SER 44 -7.822 -5.076 2.500 314 2HB SER 44 2HB SER 44 -7.680 -3.311 2.677 315 HG SER 44 HG SER 44 -6.056 -5.087 1.375 316 H GLY 45 H GLY 45 -6.802 -4.136 6.719 317 1HA GLY 45 1HA GLY 45 -8.542 -6.120 7.527 318 2HA GLY 45 2HA GLY 45 -8.430 -4.525 8.305 319 H ASN 46 H ASN 46 -10.795 -5.016 8.711 320 HA ASN 46 HA ASN 46 -12.643 -5.039 6.522 321 1HB ASN 46 1HB ASN 46 -13.258 -5.906 8.701 322 2HB ASN 46 2HB ASN 46 -12.942 -4.332 9.462 323 1HD2 ASN 46 1HD2 ASN 46 -15.024 -3.948 10.231 324 2HD2 ASN 46 2HD2 ASN 46 -16.395 -3.679 9.177 325 H ASN 47 H ASN 47 -10.996 -3.111 5.693 326 HA ASN 47 HA ASN 47 -12.723 -0.743 5.776 327 1HB ASN 47 1HB ASN 47 -11.116 0.769 6.594 328 2HB ASN 47 2HB ASN 47 -10.996 -0.622 7.694 329 1HD2 ASN 47 1HD2 ASN 47 -9.460 -2.449 6.553 330 2HD2 ASN 47 2HD2 ASN 47 -7.887 -1.821 6.110 331 H VAL 48 H VAL 48 -12.430 0.616 3.970 332 HA VAL 48 HA VAL 48 -11.033 -0.709 1.742 333 HB VAL 48 HB VAL 48 -12.760 1.793 1.734 334 1HG1 VAL 48 1HG1 VAL 48 -11.139 0.627 -0.224 335 2HG1 VAL 48 2HG1 VAL 48 -12.764 0.000 -0.590 336 3HG1 VAL 48 3HG1 VAL 48 -12.484 1.756 -0.513 337 1HG2 VAL 48 1HG2 VAL 48 -14.664 0.460 1.479 338 2HG2 VAL 48 2HG2 VAL 48 -13.725 -0.960 0.960 339 3HG2 VAL 48 3HG2 VAL 48 -13.736 -0.477 2.673 340 H VAL 49 H VAL 49 -9.093 -0.078 0.998 341 HA VAL 49 HA VAL 49 -8.196 2.690 1.589 342 HB VAL 49 HB VAL 49 -6.376 0.283 1.880 343 1HG1 VAL 49 1HG1 VAL 49 -6.293 3.204 2.738 344 2HG1 VAL 49 2HG1 VAL 49 -5.118 1.981 3.279 345 3HG1 VAL 49 3HG1 VAL 49 -5.240 2.396 1.552 346 1HG2 VAL 49 1HG2 VAL 49 -8.213 0.041 3.506 347 2HG2 VAL 49 2HG2 VAL 49 -6.711 0.518 4.333 348 3HG2 VAL 49 3HG2 VAL 49 -7.983 1.726 4.032 349 H THR 50 H THR 50 -7.257 3.670 -0.131 350 HA THR 50 HA THR 50 -6.961 2.039 -2.580 351 HB THR 50 HB THR 50 -7.411 4.929 -1.929 352 HG1 THR 50 1HG THR 50 -8.976 3.300 -2.690 353 1HG2 THR 50 1HG2 THR 50 -5.607 5.434 -3.279 354 2HG2 THR 50 2HG2 THR 50 -5.668 3.870 -4.126 355 3HG2 THR 50 3HG2 THR 50 -6.824 5.156 -4.547 356 H LEU 51 H LEU 51 -5.026 1.542 -3.455 357 HA LEU 51 HA LEU 51 -2.624 2.714 -2.141 358 1HB LEU 51 1HB LEU 51 -3.230 0.030 -3.392 359 2HB LEU 51 2HB LEU 51 -1.553 0.605 -3.235 360 HG LEU 51 HG LEU 51 -3.577 0.049 -1.047 361 1HD1 LEU 51 1HD1 LEU 51 -1.032 -0.819 -0.317 362 2HD1 LEU 51 2HD1 LEU 51 -2.313 -1.833 -1.023 363 3HD1 LEU 51 3HD1 LEU 51 -1.072 -1.107 -2.073 364 1HD2 LEU 51 1HD2 LEU 51 -1.085 1.791 -0.963 365 2HD2 LEU 51 2HD2 LEU 51 -2.740 2.228 -0.477 366 3HD2 LEU 51 3HD2 LEU 51 -1.806 1.063 0.492 367 H GLN 52 H GLN 52 -1.374 4.041 -3.316 368 HA GLN 52 HA GLN 52 -1.757 4.011 -6.273 369 1HB GLN 52 1HB GLN 52 -1.260 6.207 -4.262 370 2HB GLN 52 2HB GLN 52 -0.761 6.415 -5.958 371 1HG GLN 52 1HG GLN 52 -3.312 5.370 -6.209 372 2HG GLN 52 2HG GLN 52 -3.462 6.397 -4.767 373 1HE2 GLN 52 1HE2 GLN 52 -1.851 6.520 -8.003 374 2HE2 GLN 52 2HE2 GLN 52 -2.333 8.163 -8.368 375 H PHE 53 H PHE 53 -0.129 2.871 -7.171 376 HA PHE 53 HA PHE 53 2.629 3.594 -6.342 377 1HB PHE 53 1HB PHE 53 3.291 1.251 -6.455 378 2HB PHE 53 2HB PHE 53 2.022 1.478 -5.240 379 HD1 PHE 53 1HD PHE 53 -0.283 0.685 -5.668 380 HD2 PHE 53 2HD PHE 53 2.922 -0.081 -8.424 381 HE1 PHE 53 1HE PHE 53 -1.645 -1.076 -6.762 382 HE2 PHE 53 2HE PHE 53 1.560 -1.842 -9.517 383 HZ PHE 53 HZ PHE 53 -0.723 -2.339 -8.686 384 H GLN 54 H GLN 54 4.230 3.217 -8.018 385 HA GLN 54 HA GLN 54 3.005 3.422 -10.713 386 1HB GLN 54 1HB GLN 54 4.734 5.102 -9.545 387 2HB GLN 54 2HB GLN 54 5.911 3.940 -10.202 388 1HG GLN 54 1HG GLN 54 5.139 4.267 -12.435 389 2HG GLN 54 2HG GLN 54 3.667 5.097 -11.886 390 1HE2 GLN 54 1HE2 GLN 54 7.119 5.383 -12.518 391 2HE2 GLN 54 2HE2 GLN 54 7.221 7.121 -12.336 392 H ARG 55 H ARG 55 2.906 1.557 -11.813 393 HA ARG 55 HA ARG 55 4.204 -0.824 -11.163 394 1HB ARG 55 1HB ARG 55 2.298 -0.185 -12.904 395 2HB ARG 55 2HB ARG 55 3.665 -0.165 -14.044 396 1HG ARG 55 1HG ARG 55 3.946 -2.425 -13.939 397 2HG ARG 55 2HG ARG 55 3.635 -2.478 -12.187 398 1HD ARG 55 1HD ARG 55 1.188 -1.712 -13.383 399 2HD ARG 55 2HD ARG 55 1.825 -3.026 -14.394 400 HE ARG 55 HE ARG 55 2.160 -3.947 -11.813 401 1HH1 ARG 55 1HH1 ARG 55 -1.116 -5.087 -11.174 402 2HH1 ARG 55 2HH1 ARG 55 0.567 -5.209 -10.713 403 1HH2 ARG 55 1HH2 ARG 55 -1.749 -3.658 -12.890 404 2HH2 ARG 55 2HH2 ARG 55 -0.543 -2.702 -13.722 405 H ASN 56 H ASN 56 5.116 1.457 -13.816 406 HA ASN 56 HA ASN 56 7.868 0.335 -13.652 407 1HB ASN 56 1HB ASN 56 6.327 1.700 -15.882 408 2HB ASN 56 2HB ASN 56 8.074 1.384 -15.956 409 1HD2 ASN 56 1HD2 ASN 56 7.843 -0.047 -17.742 410 2HD2 ASN 56 2HD2 ASN 56 7.173 -1.652 -17.548 411 H LEU 57 H LEU 57 9.643 1.722 -13.493 412 HA LEU 57 HA LEU 57 9.033 4.309 -12.264 413 1HB LEU 57 1HB LEU 57 10.731 2.942 -11.222 414 2HB LEU 57 2HB LEU 57 11.607 2.768 -12.761 415 HG LEU 57 HG LEU 57 12.034 5.197 -12.808 416 1HD1 LEU 57 1HD1 LEU 57 9.863 5.266 -11.006 417 2HD1 LEU 57 2HD1 LEU 57 11.279 5.763 -10.050 418 3HD1 LEU 57 3HD1 LEU 57 10.856 6.644 -11.537 419 1HD2 LEU 57 1HD2 LEU 57 13.883 4.432 -11.732 420 2HD2 LEU 57 2HD2 LEU 57 13.136 5.111 -10.266 421 3HD2 LEU 57 3HD2 LEU 57 12.929 3.386 -10.654 422 H SER 58 H SER 58 11.010 3.105 -15.035 423 HA SER 58 HA SER 58 11.808 5.555 -16.073 424 1HB SER 58 1HB SER 58 11.822 2.853 -16.870 425 2HB SER 58 2HB SER 58 11.010 3.728 -18.191 426 HG SER 58 HG SER 58 13.448 4.552 -16.999 427 H ASP 59 H ASP 59 8.736 3.778 -16.645 428 HA ASP 59 HA ASP 59 7.699 6.185 -18.045 429 1HB ASP 59 1HB ASP 59 7.635 3.868 -19.117 430 2HB ASP 59 2HB ASP 59 6.442 3.430 -17.876 431 HA PRO 60 HA PRO 60 5.246 7.166 -14.523 432 1HB PRO 60 1HB PRO 60 3.384 8.781 -15.684 433 2HB PRO 60 2HB PRO 60 5.113 9.248 -15.590 434 1HG PRO 60 1HG PRO 60 3.690 7.929 -17.920 435 2HG PRO 60 2HG PRO 60 4.699 9.411 -17.959 436 1HD PRO 60 1HD PRO 60 5.735 6.969 -18.584 437 2HD PRO 60 2HD PRO 60 6.692 8.143 -17.629 438 H ARG 61 H ARG 61 4.821 4.564 -15.357 439 HA ARG 61 HA ARG 61 2.076 4.137 -16.169 440 1HB ARG 61 1HB ARG 61 4.484 2.561 -15.627 441 2HB ARG 61 2HB ARG 61 3.016 1.790 -14.981 442 1HG ARG 61 1HG ARG 61 2.170 2.704 -17.455 443 2HG ARG 61 2HG ARG 61 3.850 2.215 -17.781 444 1HD ARG 61 1HD ARG 61 3.177 0.070 -17.821 445 2HD ARG 61 2HD ARG 61 2.743 0.209 -16.104 446 HE ARG 61 HE ARG 61 0.691 1.284 -17.839 447 1HH1 ARG 61 1HH1 ARG 61 -1.331 -1.581 -17.460 448 2HH1 ARG 61 2HH1 ARG 61 -1.278 0.084 -17.993 449 1HH2 ARG 61 1HH2 ARG 61 0.576 -2.586 -16.599 450 2HH2 ARG 61 2HH2 ARG 61 2.066 -1.677 -16.483 451 H LEU 62 H LEU 62 1.012 5.521 -14.566 452 HA LEU 62 HA LEU 62 1.174 4.795 -11.761 453 1HB LEU 62 1HB LEU 62 0.035 6.899 -13.401 454 2HB LEU 62 2HB LEU 62 -1.177 6.285 -12.251 455 HG LEU 62 HG LEU 62 0.532 8.181 -11.520 456 1HD1 LEU 62 1HD1 LEU 62 0.029 7.621 -9.318 457 2HD1 LEU 62 2HD1 LEU 62 -1.174 6.637 -10.186 458 3HD1 LEU 62 3HD1 LEU 62 0.322 5.885 -9.583 459 1HD2 LEU 62 1HD2 LEU 62 2.628 7.448 -10.754 460 2HD2 LEU 62 2HD2 LEU 62 2.121 5.743 -10.700 461 3HD2 LEU 62 3HD2 LEU 62 2.433 6.529 -12.266 462 H GLU 63 H GLU 63 -0.074 3.384 -10.638 463 HA GLU 63 HA GLU 63 -2.469 2.277 -12.008 464 1HB GLU 63 1HB GLU 63 -0.304 0.680 -10.583 465 2HB GLU 63 2HB GLU 63 -1.817 0.021 -11.250 466 1HG GLU 63 1HG GLU 63 0.481 1.313 -12.763 467 2HG GLU 63 2HG GLU 63 -0.105 -0.359 -12.896 468 H THR 64 H THR 64 -4.219 1.994 -10.693 469 HA THR 64 HA THR 64 -3.783 2.602 -7.807 470 HB THR 64 HB THR 64 -6.315 3.225 -8.019 471 HG1 THR 64 1HG THR 64 -6.525 2.433 -10.145 472 1HG2 THR 64 1HG2 THR 64 -5.587 5.385 -7.997 473 2HG2 THR 64 2HG2 THR 64 -3.964 4.656 -8.048 474 3HG2 THR 64 3HG2 THR 64 -4.737 5.212 -9.551 475 H ILE 65 H ILE 65 -4.689 1.265 -6.274 476 HA ILE 65 HA ILE 65 -6.325 -1.011 -7.247 477 HB ILE 65 HB ILE 65 -3.867 -1.636 -7.091 478 1HG1 ILE 65 1HG1 ILE 65 -5.785 -2.996 -5.149 479 2HG1 ILE 65 2HG1 ILE 65 -5.714 -3.288 -6.904 480 1HG2 ILE 65 1HG2 ILE 65 -3.634 -0.127 -4.973 481 2HG2 ILE 65 2HG2 ILE 65 -4.302 -1.524 -4.096 482 3HG2 ILE 65 3HG2 ILE 65 -2.776 -1.686 -4.999 483 1HD1 ILE 65 1HD1 ILE 65 -3.347 -3.662 -5.024 484 2HD1 ILE 65 2HD1 ILE 65 -4.438 -4.978 -5.519 485 3HD1 ILE 65 3HD1 ILE 65 -3.449 -4.137 -6.737 486 H THR 66 H THR 66 -8.119 -1.199 -6.041 487 HA THR 66 HA THR 66 -8.128 0.135 -3.387 488 HB THR 66 HB THR 66 -10.335 -0.654 -5.321 489 HG1 THR 66 1HG THR 66 -9.911 1.295 -5.934 490 1HG2 THR 66 1HG2 THR 66 -11.938 -0.034 -3.719 491 2HG2 THR 66 2HG2 THR 66 -10.753 -0.936 -2.743 492 3HG2 THR 66 3HG2 THR 66 -10.749 0.844 -2.727 493 H LEU 67 H LEU 67 -8.063 -1.092 -1.607 494 HA LEU 67 HA LEU 67 -8.536 -3.998 -1.902 495 1HB LEU 67 1HB LEU 67 -7.407 -2.420 0.442 496 2HB LEU 67 2HB LEU 67 -7.373 -4.186 0.223 497 HG LEU 67 HG LEU 67 -6.234 -2.521 -1.988 498 1HD1 LEU 67 1HD1 LEU 67 -5.480 -1.933 0.627 499 2HD1 LEU 67 2HD1 LEU 67 -4.269 -3.133 0.115 500 3HD1 LEU 67 3HD1 LEU 67 -4.497 -1.640 -0.827 501 1HD2 LEU 67 1HD2 LEU 67 -6.342 -5.225 -1.272 502 2HD2 LEU 67 2HD2 LEU 67 -5.299 -4.510 -2.525 503 3HD2 LEU 67 3HD2 LEU 67 -4.676 -4.741 -0.874 504 H GLN 68 H GLN 68 -10.337 -4.958 -1.151 505 HA GLN 68 HA GLN 68 -12.374 -3.294 0.120 506 1HB GLN 68 1HB GLN 68 -12.351 -6.246 -0.627 507 2HB GLN 68 2HB GLN 68 -13.776 -5.302 -0.130 508 1HG GLN 68 1HG GLN 68 -12.121 -5.063 -2.653 509 2HG GLN 68 2HG GLN 68 -13.878 -5.270 -2.489 510 1HE2 GLN 68 1HE2 GLN 68 -15.005 -3.421 -1.231 511 2HE2 GLN 68 2HE2 GLN 68 -14.492 -1.797 -1.636 512 H LYS 69 H LYS 69 -13.680 -4.680 1.918 513 HA LYS 69 HA LYS 69 -12.119 -4.555 4.255 514 1HB LYS 69 1HB LYS 69 -14.601 -6.260 3.849 515 2HB LYS 69 2HB LYS 69 -14.025 -5.513 5.358 516 1HG LYS 69 1HG LYS 69 -15.017 -3.545 4.856 517 2HG LYS 69 2HG LYS 69 -14.312 -3.536 3.221 518 1HD LYS 69 1HD LYS 69 -16.562 -5.447 3.789 519 2HD LYS 69 2HD LYS 69 -16.952 -3.722 3.590 520 1HE LYS 69 1HE LYS 69 -17.024 -4.302 1.375 521 2HE LYS 69 2HE LYS 69 -15.270 -4.042 1.494 522 1HZ LYS 69 1HZ LYS 69 -16.669 -6.402 0.957 523 2HZ LYS 69 2HZ LYS 69 -15.046 -6.113 0.888 524 3HZ LYS 69 3HZ LYS 69 -15.737 -6.608 2.302 525 H TRP 70 H TRP 70 -10.646 -5.886 5.134 526 HA TRP 70 HA TRP 70 -9.381 -7.754 5.517 527 1HB TRP 70 1HB TRP 70 -11.784 -9.279 4.473 528 2HB TRP 70 2HB TRP 70 -10.479 -9.913 5.485 529 HD1 TRP 70 HD TRP 70 -13.885 -8.676 5.711 530 HE1 TRP 70 1HE TRP 70 -14.561 -8.096 8.097 531 HE3 TRP 70 3HE TRP 70 -9.248 -8.640 7.878 532 HZ2 TRP 70 2HZ TRP 70 -13.256 -7.665 10.644 533 HZ3 TRP 70 3HZ TRP 70 -9.005 -8.141 10.282 534 HH2 TRP 70 HH TRP 70 -10.994 -7.652 11.676 535 H GLY 71 H GLY 71 -9.468 -6.371 2.852 536 1HA GLY 71 1HA GLY 71 -8.945 -8.543 0.944 537 2HA GLY 71 2HA GLY 71 -8.922 -6.796 0.615 538 H SER 72 H SER 72 -6.917 -8.797 -0.158 539 HA SER 72 HA SER 72 -4.587 -7.523 1.162 540 1HB SER 72 1HB SER 72 -4.198 -10.363 0.483 541 2HB SER 72 2HB SER 72 -3.734 -9.464 1.948 542 HG SER 72 HG SER 72 -5.983 -10.954 1.418 543 H TRP 73 H TRP 73 -2.601 -7.704 -0.144 544 HA TRP 73 HA TRP 73 -3.235 -8.091 -3.033 545 1HB TRP 73 1HB TRP 73 -2.953 -5.697 -2.203 546 2HB TRP 73 2HB TRP 73 -1.263 -6.106 -1.879 547 HD1 TRP 73 HD TRP 73 -2.890 -7.514 -4.995 548 HE1 TRP 73 1HE TRP 73 -1.902 -6.432 -7.078 549 HE3 TRP 73 3HE TRP 73 -0.135 -3.825 -2.759 550 HZ2 TRP 73 2HZ TRP 73 -0.131 -4.232 -7.710 551 HZ3 TRP 73 3HZ TRP 73 1.187 -2.258 -4.132 552 HH2 TRP 73 HH TRP 73 1.201 -2.447 -6.602 553 H ASN 74 H ASN 74 -1.813 -9.299 -4.214 554 HA ASN 74 HA ASN 74 0.806 -9.963 -3.029 555 1HB ASN 74 1HB ASN 74 0.357 -12.404 -3.505 556 2HB ASN 74 2HB ASN 74 -0.557 -11.726 -2.140 557 1HD2 ASN 74 1HD2 ASN 74 -2.807 -11.494 -2.274 558 2HD2 ASN 74 2HD2 ASN 74 -3.747 -12.169 -3.587 559 HA PRO 75 HA PRO 75 0.752 -9.242 -7.619 560 1HB PRO 75 1HB PRO 75 2.660 -7.299 -7.681 561 2HB PRO 75 2HB PRO 75 0.959 -6.940 -7.237 562 1HG PRO 75 1HG PRO 75 3.273 -7.492 -5.356 563 2HG PRO 75 2HG PRO 75 2.146 -6.096 -5.316 564 1HD PRO 75 1HD PRO 75 1.740 -8.296 -3.759 565 2HD PRO 75 2HD PRO 75 0.359 -7.477 -4.550 566 H GLY 76 H GLY 76 3.966 -8.334 -6.473 567 1HA GLY 76 1HA GLY 76 5.308 -10.700 -6.167 568 2HA GLY 76 2HA GLY 76 5.149 -10.552 -7.932 569 H HIS 77 H HIS 77 5.957 -8.449 -5.105 570 HA HIS 77 HA HIS 77 7.687 -6.985 -4.779 571 1HB HIS 77 1HB HIS 77 9.122 -8.864 -5.432 572 2HB HIS 77 2HB HIS 77 8.902 -8.455 -7.144 573 HD1 HIS 77 1HD HIS 77 9.498 -5.417 -7.203 574 HD2 HIS 77 2HD HIS 77 11.570 -8.234 -4.843 575 HE1 HIS 77 1HE HIS 77 11.789 -4.382 -6.667 576 HE2 HIS 77 2HE HIS 77 13.038 -6.103 -5.234 577 H ILE 78 H ILE 78 6.529 -5.117 -5.247 578 HA ILE 78 HA ILE 78 6.338 -4.248 -8.054 579 HB ILE 78 HB ILE 78 5.364 -2.973 -5.467 580 1HG1 ILE 78 1HG1 ILE 78 4.466 -5.302 -6.602 581 2HG1 ILE 78 2HG1 ILE 78 3.437 -4.179 -5.682 582 1HG2 ILE 78 1HG2 ILE 78 5.641 -1.305 -7.213 583 2HG2 ILE 78 2HG2 ILE 78 4.863 -2.367 -8.410 584 3HG2 ILE 78 3HG2 ILE 78 3.907 -1.682 -7.075 585 1HD1 ILE 78 1HD1 ILE 78 3.896 -3.875 -8.669 586 2HD1 ILE 78 2HD1 ILE 78 2.585 -4.881 -8.009 587 3HD1 ILE 78 3HD1 ILE 78 2.624 -3.135 -7.668 588 H HIS 79 H HIS 79 7.267 -2.314 -8.840 589 HA HIS 79 HA HIS 79 9.896 -1.793 -8.240 590 1HB HIS 79 1HB HIS 79 9.043 -0.841 -10.201 591 2HB HIS 79 2HB HIS 79 7.676 -0.088 -9.359 592 HD1 HIS 79 1HD HIS 79 11.493 0.296 -8.688 593 HD2 HIS 79 2HD HIS 79 7.996 2.477 -9.594 594 HE1 HIS 79 1HE HIS 79 12.148 2.781 -8.657 595 HE2 HIS 79 2HE HIS 79 10.016 4.095 -9.207 596 H GLU 80 H GLU 80 7.435 0.674 -7.366 597 HA GLU 80 HA GLU 80 8.256 0.681 -4.578 598 1HB GLU 80 1HB GLU 80 10.129 1.890 -5.756 599 2HB GLU 80 2HB GLU 80 8.936 3.098 -6.293 600 1HG GLU 80 1HG GLU 80 8.495 2.734 -3.516 601 2HG GLU 80 2HG GLU 80 10.256 2.842 -3.721 602 H ILE 81 H ILE 81 6.865 1.948 -3.278 603 HA ILE 81 HA ILE 81 4.274 2.457 -4.519 604 HB ILE 81 HB ILE 81 5.307 2.738 -1.671 605 1HG1 ILE 81 1HG1 ILE 81 5.210 0.422 -2.602 606 2HG1 ILE 81 2HG1 ILE 81 4.027 0.678 -1.297 607 1HG2 ILE 81 1HG2 ILE 81 2.795 2.768 -1.175 608 2HG2 ILE 81 2HG2 ILE 81 3.460 4.250 -1.904 609 3HG2 ILE 81 3HG2 ILE 81 2.552 3.094 -2.908 610 1HD1 ILE 81 1HD1 ILE 81 2.526 -0.170 -2.786 611 2HD1 ILE 81 2HD1 ILE 81 2.585 1.454 -3.512 612 3HD1 ILE 81 3HD1 ILE 81 3.589 0.144 -4.178 613 H LEU 82 H LEU 82 3.319 4.427 -4.888 614 HA LEU 82 HA LEU 82 5.134 6.744 -4.842 615 1HB LEU 82 1HB LEU 82 2.314 6.447 -5.946 616 2HB LEU 82 2HB LEU 82 3.438 7.794 -6.249 617 HG LEU 82 HG LEU 82 3.473 4.990 -7.315 618 1HD1 LEU 82 1HD1 LEU 82 2.940 6.435 -9.021 619 2HD1 LEU 82 2HD1 LEU 82 3.771 7.811 -8.256 620 3HD1 LEU 82 3HD1 LEU 82 4.711 6.577 -9.129 621 1HD2 LEU 82 1HD2 LEU 82 5.930 6.636 -6.602 622 2HD2 LEU 82 2HD2 LEU 82 5.562 4.961 -6.125 623 3HD2 LEU 82 3HD2 LEU 82 5.953 5.339 -7.820 624 H SER 83 H SER 83 1.666 6.193 -3.988 625 HA SER 83 HA SER 83 2.117 7.653 -1.463 626 1HB SER 83 1HB SER 83 1.420 9.237 -3.404 627 2HB SER 83 2HB SER 83 -0.172 8.450 -3.273 628 HG SER 83 HG SER 83 1.089 10.207 -1.569 629 H ILE 84 H ILE 84 0.001 7.615 -0.139 630 HA ILE 84 HA ILE 84 -1.530 5.134 -0.728 631 HB ILE 84 HB ILE 84 -0.034 5.911 1.781 632 1HG1 ILE 84 1HG1 ILE 84 -0.413 3.254 0.341 633 2HG1 ILE 84 2HG1 ILE 84 0.944 4.365 0.038 634 1HG2 ILE 84 1HG2 ILE 84 -2.118 5.501 2.760 635 2HG2 ILE 84 2HG2 ILE 84 -2.603 4.354 1.489 636 3HG2 ILE 84 3HG2 ILE 84 -1.415 3.866 2.722 637 1HD1 ILE 84 1HD1 ILE 84 0.266 2.866 2.590 638 2HD1 ILE 84 2HD1 ILE 84 1.772 2.813 1.644 639 3HD1 ILE 84 3HD1 ILE 84 1.363 4.268 2.584 640 H ARG 85 H ARG 85 -3.685 5.412 -0.584 641 HA ARG 85 HA ARG 85 -4.653 7.815 0.894 642 1HB ARG 85 1HB ARG 85 -4.881 8.270 -1.456 643 2HB ARG 85 2HB ARG 85 -5.547 6.649 -1.766 644 1HG ARG 85 1HG ARG 85 -7.497 7.203 -0.311 645 2HG ARG 85 2HG ARG 85 -6.842 8.844 -0.092 646 1HD ARG 85 1HD ARG 85 -7.018 7.966 -2.912 647 2HD ARG 85 2HD ARG 85 -8.588 8.093 -2.091 648 HE ARG 85 HE ARG 85 -7.125 10.422 -1.468 649 1HH1 ARG 85 1HH1 ARG 85 -8.231 12.321 -4.227 650 2HH1 ARG 85 2HH1 ARG 85 -7.506 12.379 -2.636 651 1HH2 ARG 85 1HH2 ARG 85 -8.810 10.278 -5.165 652 2HH2 ARG 85 2HH2 ARG 85 -8.522 8.796 -4.281 653 H ILE 86 H ILE 86 -6.175 7.437 2.409 654 HA ILE 86 HA ILE 86 -7.382 4.710 2.453 655 HB ILE 86 HB ILE 86 -6.913 6.590 4.796 656 1HG1 ILE 86 1HG1 ILE 86 -5.307 4.095 4.222 657 2HG1 ILE 86 2HG1 ILE 86 -4.843 5.644 3.478 658 1HG2 ILE 86 1HG2 ILE 86 -8.339 4.090 4.385 659 2HG2 ILE 86 2HG2 ILE 86 -7.004 3.858 5.540 660 3HG2 ILE 86 3HG2 ILE 86 -8.242 5.100 5.848 661 1HD1 ILE 86 1HD1 ILE 86 -4.716 6.698 5.695 662 2HD1 ILE 86 2HD1 ILE 86 -5.254 5.185 6.464 663 3HD1 ILE 86 3HD1 ILE 86 -3.674 5.255 5.647 664 H TYR 87 H TYR 87 -9.574 4.537 2.495 665 HA TYR 87 HA TYR 87 -11.100 7.002 2.084 666 1HB TYR 87 1HB TYR 87 -11.709 4.042 1.977 667 2HB TYR 87 2HB TYR 87 -12.989 5.263 1.874 668 HD1 TYR 87 1HD TYR 87 -13.746 5.545 -0.289 669 HD2 TYR 87 2HD TYR 87 -9.550 4.913 0.382 670 HE1 TYR 87 1HE TYR 87 -13.321 5.785 -2.720 671 HE2 TYR 87 2HE TYR 87 -9.125 5.154 -2.050 672 HH TYR 87 HH TYR 87 -10.679 6.502 -4.125 Start of MODEL 8 1 H MET 1 H MET 1 -4.095 13.619 7.391 2 HA MET 1 HA MET 1 -2.348 13.190 8.828 3 1HB MET 1 1HB MET 1 -4.898 13.066 10.272 4 2HB MET 1 2HB MET 1 -3.599 12.172 11.098 5 1HG MET 1 1HG MET 1 -2.869 14.825 9.964 6 2HG MET 1 2HG MET 1 -3.982 14.850 11.342 7 1HE MET 1 1HE MET 1 -2.667 12.164 13.156 8 2HE MET 1 2HE MET 1 -2.136 13.447 14.269 9 3HE MET 1 3HE MET 1 -3.683 13.604 13.403 10 H ILE 2 H ILE 2 -1.695 11.394 7.328 11 HA ILE 2 HA ILE 2 -2.233 8.691 8.384 12 HB ILE 2 HB ILE 2 -2.396 8.904 5.997 13 1HG1 ILE 2 1HG1 ILE 2 0.375 7.775 6.552 14 2HG1 ILE 2 2HG1 ILE 2 -1.128 6.923 6.979 15 1HG2 ILE 2 1HG2 ILE 2 -0.315 9.691 4.713 16 2HG2 ILE 2 2HG2 ILE 2 -1.231 10.950 5.574 17 3HG2 ILE 2 3HG2 ILE 2 0.281 10.318 6.269 18 1HD1 ILE 2 1HD1 ILE 2 -0.510 6.091 4.823 19 2HD1 ILE 2 2HD1 ILE 2 -1.830 7.248 4.528 20 3HD1 ILE 2 3HD1 ILE 2 -0.144 7.724 4.218 21 H ASN 3 H ASN 3 -0.749 7.466 9.460 22 HA ASN 3 HA ASN 3 2.034 8.471 9.618 23 1HB ASN 3 1HB ASN 3 0.359 7.716 12.039 24 2HB ASN 3 2HB ASN 3 2.044 8.282 12.039 25 1HD2 ASN 3 1HD2 ASN 3 -0.564 9.386 13.218 26 2HD2 ASN 3 2HD2 ASN 3 -0.618 11.043 12.658 27 H ARG 4 H ARG 4 3.575 6.857 9.965 28 HA ARG 4 HA ARG 4 2.741 4.196 9.191 29 1HB ARG 4 1HB ARG 4 4.884 5.230 8.476 30 2HB ARG 4 2HB ARG 4 5.430 5.233 10.171 31 1HG ARG 4 1HG ARG 4 5.396 2.834 10.279 32 2HG ARG 4 2HG ARG 4 4.523 2.710 8.733 33 1HD ARG 4 1HD ARG 4 6.844 2.209 8.299 34 2HD ARG 4 2HD ARG 4 6.504 3.815 7.621 35 HE ARG 4 HE ARG 4 7.905 4.785 9.213 36 1HH1 ARG 4 1HH1 ARG 4 9.833 3.143 11.669 37 2HH1 ARG 4 2HH1 ARG 4 9.548 4.653 10.833 38 1HH2 ARG 4 1HH2 ARG 4 8.561 1.273 11.152 39 2HH2 ARG 4 2HH2 ARG 4 7.317 1.372 9.926 40 H THR 5 H THR 5 2.063 2.607 10.500 41 HA THR 5 HA THR 5 2.813 2.796 13.380 42 HB THR 5 HB THR 5 0.446 3.234 13.117 43 HG1 THR 5 1HG THR 5 -0.347 1.398 14.243 44 1HG2 THR 5 1HG2 THR 5 -0.231 0.608 11.937 45 2HG2 THR 5 2HG2 THR 5 -0.873 2.225 11.562 46 3HG2 THR 5 3HG2 THR 5 0.660 1.686 10.835 47 H ASP 6 H ASP 6 3.290 0.836 14.464 48 HA ASP 6 HA ASP 6 4.326 -1.241 12.652 49 1HB ASP 6 1HB ASP 6 4.544 -0.989 15.673 50 2HB ASP 6 2HB ASP 6 5.500 -2.046 14.613 51 H CYS 7 H CYS 7 1.408 -0.870 13.006 52 HA CYS 7 HA CYS 7 -0.431 -2.217 13.213 53 1HB CYS 7 1HB CYS 7 1.792 -4.251 13.378 54 2HB CYS 7 2HB CYS 7 0.101 -4.732 13.597 55 H ASN 8 H ASN 8 -1.035 -1.077 15.131 56 HA ASN 8 HA ASN 8 -0.126 -2.065 17.717 57 1HB ASN 8 1HB ASN 8 -2.191 -0.029 16.825 58 2HB ASN 8 2HB ASN 8 -1.891 -0.424 18.531 59 1HD2 ASN 8 1HD2 ASN 8 0.584 -0.377 15.964 60 2HD2 ASN 8 2HD2 ASN 8 1.482 0.986 16.594 61 H GLU 9 H GLU 9 -3.453 -1.660 16.382 62 HA GLU 9 HA GLU 9 -4.418 -3.802 18.100 63 1HB GLU 9 1HB GLU 9 -5.847 -1.894 17.707 64 2HB GLU 9 2HB GLU 9 -5.714 -2.094 15.944 65 1HG GLU 9 1HG GLU 9 -7.093 -3.963 15.914 66 2HG GLU 9 2HG GLU 9 -6.699 -4.411 17.588 67 H ASN 10 H ASN 10 -5.599 -3.585 14.803 68 HA ASN 10 HA ASN 10 -4.204 -5.306 13.291 69 1HB ASN 10 1HB ASN 10 -5.314 -7.585 13.921 70 2HB ASN 10 2HB ASN 10 -3.905 -7.022 14.845 71 1HD2 ASN 10 1HD2 ASN 10 -4.320 -7.960 16.824 72 2HD2 ASN 10 2HD2 ASN 10 -5.729 -7.595 17.796 73 H SER 11 H SER 11 -5.535 -3.870 11.984 74 HA SER 11 HA SER 11 -7.602 -5.138 10.634 75 1HB SER 11 1HB SER 11 -9.587 -3.803 11.517 76 2HB SER 11 2HB SER 11 -8.997 -5.105 12.578 77 HG SER 11 HG SER 11 -7.584 -3.144 13.325 78 H TYR 12 H TYR 12 -5.521 -3.731 9.739 79 HA TYR 12 HA TYR 12 -6.828 -1.403 8.493 80 1HB TYR 12 1HB TYR 12 -4.326 -0.394 8.966 81 2HB TYR 12 2HB TYR 12 -5.779 0.003 9.900 82 HD1 TYR 12 1HD TYR 12 -5.320 0.131 12.159 83 HD2 TYR 12 2HD TYR 12 -3.442 -2.948 9.825 84 HE1 TYR 12 1HE TYR 12 -4.250 -0.770 14.207 85 HE2 TYR 12 2HE TYR 12 -2.372 -3.848 11.873 86 HH TYR 12 HH TYR 12 -2.016 -3.556 14.116 87 H LEU 13 H LEU 13 -4.635 -0.401 7.124 88 HA LEU 13 HA LEU 13 -4.166 -2.595 5.229 89 1HB LEU 13 1HB LEU 13 -4.686 -0.719 4.011 90 2HB LEU 13 2HB LEU 13 -4.006 0.391 5.225 91 HG LEU 13 HG LEU 13 -1.709 -0.692 4.536 92 1HD1 LEU 13 1HD1 LEU 13 -2.056 -1.064 1.882 93 2HD1 LEU 13 2HD1 LEU 13 -2.141 -2.401 3.054 94 3HD1 LEU 13 3HD1 LEU 13 -3.638 -1.646 2.455 95 1HD2 LEU 13 1HD2 LEU 13 -1.413 1.339 3.597 96 2HD2 LEU 13 2HD2 LEU 13 -2.484 0.920 2.239 97 3HD2 LEU 13 3HD2 LEU 13 -3.169 1.594 3.737 98 H GLU 14 H GLU 14 -2.241 -3.606 4.887 99 HA GLU 14 HA GLU 14 0.179 -2.480 6.165 100 1HB GLU 14 1HB GLU 14 -0.579 -5.395 6.502 101 2HB GLU 14 2HB GLU 14 0.690 -4.474 7.346 102 1HG GLU 14 1HG GLU 14 -0.928 -4.383 8.977 103 2HG GLU 14 2HG GLU 14 -1.433 -2.966 8.030 104 H ILE 15 H ILE 15 1.657 -2.335 4.596 105 HA ILE 15 HA ILE 15 1.544 -4.322 2.385 106 HB ILE 15 HB ILE 15 3.004 -1.660 2.441 107 1HG1 ILE 15 1HG1 ILE 15 0.360 -2.089 1.058 108 2HG1 ILE 15 2HG1 ILE 15 0.378 -1.702 2.796 109 1HG2 ILE 15 1HG2 ILE 15 2.379 -3.802 0.431 110 2HG2 ILE 15 2HG2 ILE 15 2.392 -2.112 -0.128 111 3HG2 ILE 15 3HG2 ILE 15 3.847 -2.813 0.619 112 1HD1 ILE 15 1HD1 ILE 15 2.245 0.021 1.425 113 2HD1 ILE 15 2HD1 ILE 15 0.670 0.095 0.599 114 3HD1 ILE 15 3HD1 ILE 15 0.783 0.466 2.337 115 H HIS 16 H HIS 16 3.099 -5.829 2.263 116 HA HIS 16 HA HIS 16 5.626 -5.316 3.764 117 1HB HIS 16 1HB HIS 16 5.704 -7.751 4.160 118 2HB HIS 16 2HB HIS 16 4.269 -7.003 4.885 119 HD1 HIS 16 1HD HIS 16 5.246 -9.717 2.498 120 HD2 HIS 16 2HD HIS 16 1.883 -7.347 3.434 121 HE1 HIS 16 1HE HIS 16 3.210 -10.882 1.447 122 HE2 HIS 16 2HE HIS 16 1.175 -9.433 2.021 123 H ASN 17 H ASN 17 7.020 -4.718 2.165 124 HA ASN 17 HA ASN 17 7.023 -6.325 -0.331 125 1HB ASN 17 1HB ASN 17 8.506 -4.465 -1.148 126 2HB ASN 17 2HB ASN 17 6.867 -3.949 -0.697 127 1HD2 ASN 17 1HD2 ASN 17 8.775 -2.008 -0.834 128 2HD2 ASN 17 2HD2 ASN 17 9.239 -1.479 0.769 129 H ASN 18 H ASN 18 9.566 -6.115 -1.202 130 HA ASN 18 HA ASN 18 11.639 -7.065 -1.009 131 1HB ASN 18 1HB ASN 18 11.156 -5.902 1.718 132 2HB ASN 18 2HB ASN 18 12.563 -6.961 1.477 133 1HD2 ASN 18 1HD2 ASN 18 11.823 -3.826 1.681 134 2HD2 ASN 18 2HD2 ASN 18 12.919 -3.135 0.505 135 H GLU 19 H GLU 19 9.230 -8.711 -0.787 136 HA GLU 19 HA GLU 19 8.719 -10.906 -0.389 137 1HB GLU 19 1HB GLU 19 11.686 -10.980 0.259 138 2HB GLU 19 2HB GLU 19 10.651 -12.428 0.240 139 1HG GLU 19 1HG GLU 19 10.000 -11.895 -2.107 140 2HG GLU 19 2HG GLU 19 11.108 -10.506 -2.079 141 H GLY 20 H GLY 20 8.196 -8.941 1.620 142 1HA GLY 20 1HA GLY 20 7.337 -8.980 3.761 143 2HA GLY 20 2HA GLY 20 7.771 -10.700 3.874 144 H ARG 21 H ARG 21 9.872 -7.875 3.177 145 HA ARG 21 HA ARG 21 11.600 -8.724 5.426 146 1HB ARG 21 1HB ARG 21 12.431 -8.333 3.017 147 2HB ARG 21 2HB ARG 21 12.195 -6.600 3.348 148 1HG ARG 21 1HG ARG 21 13.692 -8.238 5.374 149 2HG ARG 21 2HG ARG 21 14.526 -7.808 3.861 150 1HD ARG 21 1HD ARG 21 13.528 -5.401 4.386 151 2HD ARG 21 2HD ARG 21 13.482 -6.024 6.050 152 HE ARG 21 HE ARG 21 15.825 -5.237 4.544 153 1HH1 ARG 21 1HH1 ARG 21 18.010 -6.508 7.003 154 2HH1 ARG 21 2HH1 ARG 21 17.869 -5.485 5.592 155 1HH2 ARG 21 1HH2 ARG 21 16.144 -7.617 7.824 156 2HH2 ARG 21 2HH2 ARG 21 14.596 -7.429 7.032 157 H ASP 22 H ASP 22 9.852 -5.881 4.108 158 HA ASP 22 HA ASP 22 9.943 -4.714 6.841 159 1HB ASP 22 1HB ASP 22 10.607 -3.386 4.197 160 2HB ASP 22 2HB ASP 22 10.134 -2.460 5.638 161 H THR 23 H THR 23 7.907 -4.509 7.553 162 HA THR 23 HA THR 23 5.749 -4.236 5.532 163 HB THR 23 HB THR 23 5.481 -4.847 8.494 164 HG1 THR 23 1HG THR 23 5.969 -6.522 6.266 165 1HG2 THR 23 1HG2 THR 23 3.692 -4.532 6.194 166 2HG2 THR 23 2HG2 THR 23 3.505 -6.123 6.969 167 3HG2 THR 23 3HG2 THR 23 3.301 -4.638 7.927 168 H LEU 24 H LEU 24 4.079 -2.660 5.838 169 HA LEU 24 HA LEU 24 4.750 -0.469 7.725 170 1HB LEU 24 1HB LEU 24 3.864 0.101 4.892 171 2HB LEU 24 2HB LEU 24 4.659 1.185 6.059 172 HG LEU 24 HG LEU 24 6.439 -0.968 5.782 173 1HD1 LEU 24 1HD1 LEU 24 5.296 -0.122 3.085 174 2HD1 LEU 24 2HD1 LEU 24 6.777 -1.083 3.315 175 3HD1 LEU 24 3HD1 LEU 24 5.200 -1.747 3.805 176 1HD2 LEU 24 1HD2 LEU 24 6.879 1.365 4.003 177 2HD2 LEU 24 2HD2 LEU 24 6.481 1.779 5.687 178 3HD2 LEU 24 3HD2 LEU 24 7.882 0.739 5.334 179 H CYS 25 H CYS 25 3.028 -0.216 9.009 180 HA CYS 25 HA CYS 25 0.364 -0.983 7.979 181 1HB CYS 25 1HB CYS 25 0.997 -0.085 10.784 182 2HB CYS 25 2HB CYS 25 -0.290 -1.164 10.220 183 H PHE 26 H PHE 26 -1.310 0.455 7.730 184 HA PHE 26 HA PHE 26 -0.732 3.296 8.409 185 1HB PHE 26 1HB PHE 26 -1.873 2.151 5.842 186 2HB PHE 26 2HB PHE 26 -1.941 3.868 6.274 187 HD1 PHE 26 1HD PHE 26 -0.014 1.289 4.716 188 HD2 PHE 26 2HD PHE 26 0.313 5.051 6.763 189 HE1 PHE 26 1HE PHE 26 2.244 1.619 3.746 190 HE2 PHE 26 2HE PHE 26 2.572 5.382 5.793 191 HZ PHE 26 HZ PHE 26 3.537 3.666 4.285 192 H ALA 27 H ALA 27 -2.474 4.482 9.166 193 HA ALA 27 HA ALA 27 -5.097 3.096 9.273 194 1HB ALA 27 1HB ALA 27 -5.282 3.276 11.582 195 2HB ALA 27 2HB ALA 27 -3.550 2.903 11.409 196 3HB ALA 27 3HB ALA 27 -4.076 4.582 11.684 197 H ASN 28 H ASN 28 -6.753 4.767 10.297 198 HA ASN 28 HA ASN 28 -7.844 6.768 10.075 199 1HB ASN 28 1HB ASN 28 -4.968 7.677 9.873 200 2HB ASN 28 2HB ASN 28 -6.312 8.823 9.677 201 1HD2 ASN 28 1HD2 ASN 28 -6.203 10.004 11.549 202 2HD2 ASN 28 2HD2 ASN 28 -6.330 9.316 13.154 203 H ALA 29 H ALA 29 -8.870 7.916 8.434 204 HA ALA 29 HA ALA 29 -8.573 6.889 5.796 205 1HB ALA 29 1HB ALA 29 -10.348 8.349 5.237 206 2HB ALA 29 2HB ALA 29 -10.626 7.956 6.951 207 3HB ALA 29 3HB ALA 29 -9.900 9.518 6.502 208 H GLY 30 H GLY 30 -6.601 9.001 7.501 209 1HA GLY 30 1HA GLY 30 -5.966 11.128 5.890 210 2HA GLY 30 2HA GLY 30 -4.750 10.179 6.776 211 H THR 31 H THR 31 -4.372 11.486 4.206 212 HA THR 31 HA THR 31 -3.655 9.075 2.636 213 HB THR 31 HB THR 31 -5.185 11.504 1.641 214 HG1 THR 31 1HG THR 31 -6.587 9.857 0.947 215 1HG2 THR 31 1HG2 THR 31 -3.931 9.258 0.009 216 2HG2 THR 31 2HG2 THR 31 -4.829 10.664 -0.613 217 3HG2 THR 31 3HG2 THR 31 -3.240 10.892 0.156 218 H MET 32 H MET 32 -1.521 9.126 2.296 219 HA MET 32 HA MET 32 -0.260 11.726 1.655 220 1HB MET 32 1HB MET 32 1.457 11.475 3.287 221 2HB MET 32 2HB MET 32 -0.071 11.185 4.153 222 1HG MET 32 1HG MET 32 0.232 8.750 3.850 223 2HG MET 32 2HG MET 32 1.762 9.046 3.008 224 1HE MET 32 1HE MET 32 1.695 7.186 6.332 225 2HE MET 32 2HE MET 32 1.934 7.104 4.570 226 3HE MET 32 3HE MET 32 3.323 7.402 5.643 227 HA PRO 33 HA PRO 33 1.927 9.340 -1.306 228 1HB PRO 33 1HB PRO 33 4.281 10.691 -1.539 229 2HB PRO 33 2HB PRO 33 2.715 11.434 -2.001 230 1HG PRO 33 1HG PRO 33 4.180 11.724 0.638 231 2HG PRO 33 2HG PRO 33 3.559 13.039 -0.412 232 1HD PRO 33 1HD PRO 33 2.115 12.109 1.704 233 2HD PRO 33 2HD PRO 33 1.303 12.524 0.164 234 H VAL 34 H VAL 34 2.973 7.420 -1.190 235 HA VAL 34 HA VAL 34 5.023 7.087 0.945 236 HB VAL 34 HB VAL 34 4.129 4.954 1.526 237 1HG1 VAL 34 1HG1 VAL 34 1.653 5.532 1.967 238 2HG1 VAL 34 2HG1 VAL 34 2.869 6.652 2.625 239 3HG1 VAL 34 3HG1 VAL 34 1.986 7.071 1.137 240 1HG2 VAL 34 1HG2 VAL 34 2.360 3.848 0.297 241 2HG2 VAL 34 2HG2 VAL 34 2.113 5.278 -0.734 242 3HG2 VAL 34 3HG2 VAL 34 3.611 4.328 -0.874 243 H ALA 35 H ALA 35 6.589 5.373 0.488 244 HA ALA 35 HA ALA 35 6.782 4.744 -2.418 245 1HB ALA 35 1HB ALA 35 9.251 5.068 -2.180 246 2HB ALA 35 2HB ALA 35 8.323 6.567 -1.933 247 3HB ALA 35 3HB ALA 35 8.978 5.685 -0.533 248 H ILE 36 H ILE 36 6.486 2.596 -2.563 249 HA ILE 36 HA ILE 36 8.025 0.884 -0.678 250 HB ILE 36 HB ILE 36 5.105 0.727 -1.460 251 1HG1 ILE 36 1HG1 ILE 36 5.909 -0.051 1.236 252 2HG1 ILE 36 2HG1 ILE 36 6.526 1.566 0.823 253 1HG2 ILE 36 1HG2 ILE 36 7.056 -1.463 -1.055 254 2HG2 ILE 36 2HG2 ILE 36 5.610 -1.573 -0.024 255 3HG2 ILE 36 3HG2 ILE 36 5.437 -1.501 -1.794 256 1HD1 ILE 36 1HD1 ILE 36 4.335 1.913 1.730 257 2HD1 ILE 36 2HD1 ILE 36 4.166 2.093 -0.032 258 3HD1 ILE 36 3HD1 ILE 36 3.648 0.587 0.762 259 H TYR 37 H TYR 37 9.533 -0.096 -1.895 260 HA TYR 37 HA TYR 37 8.838 -0.788 -4.697 261 1HB TYR 37 1HB TYR 37 11.523 -0.748 -3.281 262 2HB TYR 37 2HB TYR 37 11.248 -0.998 -5.013 263 HD1 TYR 37 1HD TYR 37 10.761 1.497 -2.266 264 HD2 TYR 37 2HD TYR 37 11.194 0.824 -6.486 265 HE1 TYR 37 1HE TYR 37 10.904 3.944 -2.641 266 HE2 TYR 37 2HE TYR 37 11.337 3.271 -6.862 267 HH TYR 37 HH TYR 37 10.532 5.604 -4.512 268 H GLY 38 H GLY 38 8.887 -2.891 -5.438 269 1HA GLY 38 1HA GLY 38 9.023 -5.192 -5.355 270 2HA GLY 38 2HA GLY 38 9.994 -5.051 -3.872 271 H VAL 39 H VAL 39 6.610 -4.418 -4.972 272 HA VAL 39 HA VAL 39 5.584 -5.023 -2.308 273 HB VAL 39 HB VAL 39 4.127 -4.529 -4.934 274 1HG1 VAL 39 1HG1 VAL 39 2.322 -3.794 -3.270 275 2HG1 VAL 39 2HG1 VAL 39 2.639 -5.543 -3.351 276 3HG1 VAL 39 3HG1 VAL 39 3.301 -4.580 -2.008 277 1HG2 VAL 39 1HG2 VAL 39 5.734 -2.783 -3.343 278 2HG2 VAL 39 2HG2 VAL 39 4.676 -2.355 -4.709 279 3HG2 VAL 39 3HG2 VAL 39 4.033 -2.347 -3.050 280 H ASN 40 H ASN 40 5.213 -7.032 -1.595 281 HA ASN 40 HA ASN 40 4.904 -9.189 -3.610 282 1HB ASN 40 1HB ASN 40 5.284 -9.576 -0.640 283 2HB ASN 40 2HB ASN 40 5.712 -10.667 -1.976 284 1HD2 ASN 40 1HD2 ASN 40 7.475 -9.969 -3.454 285 2HD2 ASN 40 2HD2 ASN 40 8.782 -9.006 -2.800 286 H TRP 41 H TRP 41 3.413 -7.738 -0.694 287 HA TRP 41 HA TRP 41 0.786 -8.558 -1.606 288 1HB TRP 41 1HB TRP 41 1.462 -10.659 -0.639 289 2HB TRP 41 2HB TRP 41 2.055 -9.854 0.821 290 HD1 TRP 41 HD TRP 41 -0.201 -8.223 1.880 291 HE1 TRP 41 1HE TRP 41 -2.451 -9.174 2.600 292 HE3 TRP 41 3HE TRP 41 -0.133 -12.579 -0.807 293 HZ2 TRP 41 2HZ TRP 41 -4.039 -11.538 2.080 294 HZ3 TRP 41 3HZ TRP 41 -2.029 -14.152 -0.669 295 HH2 TRP 41 HH TRP 41 -3.984 -13.649 0.766 296 H VAL 42 H VAL 42 -0.870 -7.432 -0.531 297 HA VAL 42 HA VAL 42 0.067 -5.490 1.527 298 HB VAL 42 HB VAL 42 -1.654 -5.045 -0.933 299 1HG1 VAL 42 1HG1 VAL 42 -2.926 -3.865 0.614 300 2HG1 VAL 42 2HG1 VAL 42 -1.543 -3.592 1.700 301 3HG1 VAL 42 3HG1 VAL 42 -1.704 -2.637 0.207 302 1HG2 VAL 42 1HG2 VAL 42 0.327 -3.030 -0.231 303 2HG2 VAL 42 2HG2 VAL 42 1.077 -4.642 -0.322 304 3HG2 VAL 42 3HG2 VAL 42 0.184 -3.996 -1.719 305 H GLU 43 H GLU 43 -1.424 -4.982 3.162 306 HA GLU 43 HA GLU 43 -3.679 -6.909 3.343 307 1HB GLU 43 1HB GLU 43 -2.138 -5.334 5.438 308 2HB GLU 43 2HB GLU 43 -3.574 -6.324 5.791 309 1HG GLU 43 1HG GLU 43 -2.052 -8.068 4.305 310 2HG GLU 43 2HG GLU 43 -0.798 -7.153 5.169 311 H SER 44 H SER 44 -5.722 -6.147 4.228 312 HA SER 44 HA SER 44 -6.189 -3.271 4.332 313 1HB SER 44 1HB SER 44 -7.593 -4.922 2.200 314 2HB SER 44 2HB SER 44 -7.749 -3.173 2.493 315 HG SER 44 HG SER 44 -5.617 -2.913 1.877 316 H GLY 45 H GLY 45 -6.774 -3.908 6.499 317 1HA GLY 45 1HA GLY 45 -8.546 -5.873 7.285 318 2HA GLY 45 2HA GLY 45 -8.425 -4.280 8.064 319 H ASN 46 H ASN 46 -10.817 -4.843 8.413 320 HA ASN 46 HA ASN 46 -12.620 -4.793 6.196 321 1HB ASN 46 1HB ASN 46 -13.092 -5.650 8.518 322 2HB ASN 46 2HB ASN 46 -13.139 -3.963 9.073 323 1HD2 ASN 46 1HD2 ASN 46 -15.273 -6.097 8.956 324 2HD2 ASN 46 2HD2 ASN 46 -16.582 -5.378 8.043 325 H ASN 47 H ASN 47 -11.035 -2.873 5.358 326 HA ASN 47 HA ASN 47 -12.723 -0.481 5.556 327 1HB ASN 47 1HB ASN 47 -10.511 0.871 5.879 328 2HB ASN 47 2HB ASN 47 -11.306 0.154 7.298 329 1HD2 ASN 47 1HD2 ASN 47 -8.822 -0.568 4.787 330 2HD2 ASN 47 2HD2 ASN 47 -7.778 -1.497 5.842 331 H VAL 48 H VAL 48 -12.622 0.789 3.711 332 HA VAL 48 HA VAL 48 -11.221 -0.463 1.442 333 HB VAL 48 HB VAL 48 -13.109 1.918 1.450 334 1HG1 VAL 48 1HG1 VAL 48 -11.522 0.746 -0.542 335 2HG1 VAL 48 2HG1 VAL 48 -13.137 0.047 -0.805 336 3HG1 VAL 48 3HG1 VAL 48 -12.922 1.814 -0.802 337 1HG2 VAL 48 1HG2 VAL 48 -14.008 -0.226 2.558 338 2HG2 VAL 48 2HG2 VAL 48 -14.937 0.405 1.177 339 3HG2 VAL 48 3HG2 VAL 48 -13.851 -0.987 0.956 340 H VAL 49 H VAL 49 -9.266 0.220 0.819 341 HA VAL 49 HA VAL 49 -8.610 3.094 1.182 342 HB VAL 49 HB VAL 49 -6.915 0.697 1.974 343 1HG1 VAL 49 1HG1 VAL 49 -5.944 2.921 0.716 344 2HG1 VAL 49 2HG1 VAL 49 -5.936 3.474 2.408 345 3HG1 VAL 49 3HG1 VAL 49 -5.040 2.007 1.947 346 1HG2 VAL 49 1HG2 VAL 49 -6.871 2.421 4.062 347 2HG2 VAL 49 2HG2 VAL 49 -8.463 2.833 3.381 348 3HG2 VAL 49 3HG2 VAL 49 -8.115 1.161 3.880 349 H THR 50 H THR 50 -7.500 3.997 -0.515 350 HA THR 50 HA THR 50 -7.174 2.256 -2.879 351 HB THR 50 HB THR 50 -7.560 5.175 -2.357 352 HG1 THR 50 1HG THR 50 -9.129 3.567 -3.145 353 1HG2 THR 50 1HG2 THR 50 -5.827 3.990 -4.527 354 2HG2 THR 50 2HG2 THR 50 -6.824 5.422 -4.880 355 3HG2 THR 50 3HG2 THR 50 -5.597 5.487 -3.593 356 H LEU 51 H LEU 51 -5.230 1.724 -3.745 357 HA LEU 51 HA LEU 51 -2.829 2.812 -2.357 358 1HB LEU 51 1HB LEU 51 -3.498 0.140 -3.599 359 2HB LEU 51 2HB LEU 51 -1.804 0.657 -3.416 360 HG LEU 51 HG LEU 51 -3.888 0.193 -1.263 361 1HD1 LEU 51 1HD1 LEU 51 -1.706 -1.269 -2.315 362 2HD1 LEU 51 2HD1 LEU 51 -1.148 -0.638 -0.747 363 3HD1 LEU 51 3HD1 LEU 51 -2.625 -1.627 -0.833 364 1HD2 LEU 51 1HD2 LEU 51 -3.066 2.256 -0.522 365 2HD2 LEU 51 2HD2 LEU 51 -1.922 1.119 0.231 366 3HD2 LEU 51 3HD2 LEU 51 -1.463 1.992 -1.251 367 H GLN 52 H GLN 52 -1.492 4.078 -3.503 368 HA GLN 52 HA GLN 52 -1.788 4.040 -6.470 369 1HB GLN 52 1HB GLN 52 -1.277 6.236 -4.462 370 2HB GLN 52 2HB GLN 52 -0.728 6.413 -6.146 371 1HG GLN 52 1HG GLN 52 -3.275 5.481 -6.523 372 2HG GLN 52 2HG GLN 52 -3.478 6.416 -5.025 373 1HE2 GLN 52 1HE2 GLN 52 -1.918 6.661 -8.272 374 2HE2 GLN 52 2HE2 GLN 52 -2.292 8.354 -8.513 375 H PHE 53 H PHE 53 -0.172 2.842 -7.310 376 HA PHE 53 HA PHE 53 2.582 3.476 -6.393 377 1HB PHE 53 1HB PHE 53 3.166 1.112 -6.484 378 2HB PHE 53 2HB PHE 53 1.866 1.384 -5.312 379 HD1 PHE 53 1HD PHE 53 -0.431 0.634 -5.784 380 HD2 PHE 53 2HD PHE 53 2.800 -0.174 -8.496 381 HE1 PHE 53 1HE PHE 53 -1.815 -1.081 -6.921 382 HE2 PHE 53 2HE PHE 53 1.416 -1.889 -9.634 383 HZ PHE 53 HZ PHE 53 -0.892 -2.342 -8.847 384 H GLN 54 H GLN 54 4.224 3.042 -8.015 385 HA GLN 54 HA GLN 54 3.093 3.269 -10.751 386 1HB GLN 54 1HB GLN 54 4.815 4.921 -9.530 387 2HB GLN 54 2HB GLN 54 5.989 3.735 -10.150 388 1HG GLN 54 1HG GLN 54 5.325 4.088 -12.401 389 2HG GLN 54 2HG GLN 54 3.818 4.896 -11.918 390 1HE2 GLN 54 1HE2 GLN 54 7.235 5.254 -12.547 391 2HE2 GLN 54 2HE2 GLN 54 7.326 6.985 -12.299 392 H ARG 55 H ARG 55 3.003 1.406 -11.854 393 HA ARG 55 HA ARG 55 4.218 -1.000 -11.149 394 1HB ARG 55 1HB ARG 55 2.419 -0.289 -12.995 395 2HB ARG 55 2HB ARG 55 3.847 -0.365 -14.055 396 1HG ARG 55 1HG ARG 55 4.163 -2.646 -13.695 397 2HG ARG 55 2HG ARG 55 3.350 -2.614 -12.112 398 1HD ARG 55 1HD ARG 55 1.675 -1.861 -14.459 399 2HD ARG 55 2HD ARG 55 2.186 -3.561 -14.384 400 HE ARG 55 HE ARG 55 0.204 -2.282 -12.740 401 1HH1 ARG 55 1HH1 ARG 55 0.082 -4.962 -10.449 402 2HH1 ARG 55 2HH1 ARG 55 -0.725 -3.521 -11.024 403 1HH2 ARG 55 1HH2 ARG 55 2.086 -5.631 -11.409 404 2HH2 ARG 55 2HH2 ARG 55 2.790 -4.693 -12.708 405 H ASN 56 H ASN 56 5.308 1.279 -13.735 406 HA ASN 56 HA ASN 56 8.035 0.124 -13.402 407 1HB ASN 56 1HB ASN 56 6.516 1.212 -15.773 408 2HB ASN 56 2HB ASN 56 8.293 1.200 -15.765 409 1HD2 ASN 56 1HD2 ASN 56 9.379 -0.909 -15.331 410 2HD2 ASN 56 2HD2 ASN 56 8.605 -2.373 -15.899 411 H LEU 57 H LEU 57 9.793 1.515 -13.193 412 HA LEU 57 HA LEU 57 9.120 4.169 -12.162 413 1HB LEU 57 1HB LEU 57 10.754 2.859 -10.953 414 2HB LEU 57 2HB LEU 57 11.720 2.613 -12.428 415 HG LEU 57 HG LEU 57 12.048 5.094 -12.573 416 1HD1 LEU 57 1HD1 LEU 57 11.016 6.551 -11.160 417 2HD1 LEU 57 2HD1 LEU 57 9.896 5.203 -10.849 418 3HD1 LEU 57 3HD1 LEU 57 11.262 5.497 -9.747 419 1HD2 LEU 57 1HD2 LEU 57 12.863 3.943 -9.872 420 2HD2 LEU 57 2HD2 LEU 57 13.667 3.543 -11.409 421 3HD2 LEU 57 3HD2 LEU 57 13.699 5.214 -10.796 422 H SER 58 H SER 58 11.016 2.740 -14.863 423 HA SER 58 HA SER 58 11.980 5.138 -15.964 424 1HB SER 58 1HB SER 58 12.174 2.478 -16.563 425 2HB SER 58 2HB SER 58 11.118 3.043 -17.880 426 HG SER 58 HG SER 58 13.611 4.177 -17.121 427 H ASP 59 H ASP 59 8.883 3.403 -16.518 428 HA ASP 59 HA ASP 59 7.947 5.747 -18.089 429 1HB ASP 59 1HB ASP 59 7.840 3.452 -19.107 430 2HB ASP 59 2HB ASP 59 6.718 2.981 -17.812 431 HA PRO 60 HA PRO 60 5.441 6.968 -14.676 432 1HB PRO 60 1HB PRO 60 3.710 8.634 -15.960 433 2HB PRO 60 2HB PRO 60 5.456 9.018 -15.810 434 1HG PRO 60 1HG PRO 60 4.060 7.697 -18.155 435 2HG PRO 60 2HG PRO 60 5.144 9.126 -18.198 436 1HD PRO 60 1HD PRO 60 6.079 6.616 -18.706 437 2HD PRO 60 2HD PRO 60 7.055 7.771 -17.749 438 H ARG 61 H ARG 61 4.926 4.354 -15.606 439 HA ARG 61 HA ARG 61 2.159 4.090 -16.411 440 1HB ARG 61 1HB ARG 61 3.622 2.341 -17.069 441 2HB ARG 61 2HB ARG 61 4.306 2.187 -15.433 442 1HG ARG 61 1HG ARG 61 2.618 0.838 -14.736 443 2HG ARG 61 2HG ARG 61 1.376 1.845 -15.518 444 1HD ARG 61 1HD ARG 61 2.941 0.597 -17.574 445 2HD ARG 61 2HD ARG 61 2.468 -0.657 -16.407 446 HE ARG 61 HE ARG 61 0.128 0.684 -16.787 447 1HH1 ARG 61 1HH1 ARG 61 -0.852 -0.497 -19.963 448 2HH1 ARG 61 2HH1 ARG 61 -1.393 0.227 -18.465 449 1HH2 ARG 61 1HH2 ARG 61 1.394 -0.999 -20.264 450 2HH2 ARG 61 2HH2 ARG 61 2.546 -0.652 -18.993 451 H LEU 62 H LEU 62 1.122 5.434 -14.785 452 HA LEU 62 HA LEU 62 1.287 4.661 -11.993 453 1HB LEU 62 1HB LEU 62 0.183 6.814 -13.591 454 2HB LEU 62 2HB LEU 62 -1.039 6.204 -12.449 455 HG LEU 62 HG LEU 62 0.731 8.052 -11.703 456 1HD1 LEU 62 1HD1 LEU 62 0.443 5.781 -9.757 457 2HD1 LEU 62 2HD1 LEU 62 0.146 7.520 -9.525 458 3HD1 LEU 62 3HD1 LEU 62 -1.041 6.524 -10.401 459 1HD2 LEU 62 1HD2 LEU 62 2.570 6.318 -12.437 460 2HD2 LEU 62 2HD2 LEU 62 2.792 7.240 -10.931 461 3HD2 LEU 62 3HD2 LEU 62 2.217 5.556 -10.868 462 H GLU 63 H GLU 63 -0.082 3.370 -10.828 463 HA GLU 63 HA GLU 63 -2.457 2.278 -12.233 464 1HB GLU 63 1HB GLU 63 -0.340 0.638 -10.786 465 2HB GLU 63 2HB GLU 63 -1.863 0.011 -11.458 466 1HG GLU 63 1HG GLU 63 0.446 1.279 -12.980 467 2HG GLU 63 2HG GLU 63 -0.110 -0.407 -13.073 468 H THR 64 H THR 64 -4.224 2.031 -10.932 469 HA THR 64 HA THR 64 -3.802 2.645 -8.045 470 HB THR 64 HB THR 64 -6.312 3.325 -8.272 471 HG1 THR 64 1HG THR 64 -6.740 2.638 -10.308 472 1HG2 THR 64 1HG2 THR 64 -3.848 4.689 -8.522 473 2HG2 THR 64 2HG2 THR 64 -4.886 5.343 -9.812 474 3HG2 THR 64 3HG2 THR 64 -5.430 5.397 -8.118 475 H ILE 65 H ILE 65 -4.779 1.349 -6.511 476 HA ILE 65 HA ILE 65 -6.430 -0.910 -7.494 477 HB ILE 65 HB ILE 65 -4.005 -1.599 -7.297 478 1HG1 ILE 65 1HG1 ILE 65 -6.044 -2.823 -5.391 479 2HG1 ILE 65 2HG1 ILE 65 -5.783 -3.259 -7.097 480 1HG2 ILE 65 1HG2 ILE 65 -4.436 -1.372 -4.307 481 2HG2 ILE 65 2HG2 ILE 65 -2.915 -1.613 -5.201 482 3HG2 ILE 65 3HG2 ILE 65 -3.726 -0.028 -5.234 483 1HD1 ILE 65 1HD1 ILE 65 -3.603 -3.450 -4.983 484 2HD1 ILE 65 2HD1 ILE 65 -4.683 -4.805 -5.389 485 3HD1 ILE 65 3HD1 ILE 65 -3.593 -4.135 -6.626 486 H THR 66 H THR 66 -8.205 -1.196 -6.262 487 HA THR 66 HA THR 66 -8.292 0.264 -3.674 488 HB THR 66 HB THR 66 -10.495 -0.756 -5.509 489 HG1 THR 66 1HG THR 66 -10.822 1.525 -5.712 490 1HG2 THR 66 1HG2 THR 66 -12.027 0.378 -3.973 491 2HG2 THR 66 2HG2 THR 66 -11.075 -0.827 -3.073 492 3HG2 THR 66 3HG2 THR 66 -10.663 0.900 -2.955 493 H LEU 67 H LEU 67 -8.150 -0.890 -1.852 494 HA LEU 67 HA LEU 67 -8.549 -3.818 -2.015 495 1HB LEU 67 1HB LEU 67 -7.358 -2.052 0.161 496 2HB LEU 67 2HB LEU 67 -7.407 -3.832 0.175 497 HG LEU 67 HG LEU 67 -6.277 -2.610 -2.290 498 1HD1 LEU 67 1HD1 LEU 67 -4.278 -2.764 -0.128 499 2HD1 LEU 67 2HD1 LEU 67 -4.509 -1.517 -1.377 500 3HD1 LEU 67 3HD1 LEU 67 -5.479 -1.472 0.115 501 1HD2 LEU 67 1HD2 LEU 67 -5.584 -4.749 -2.424 502 2HD2 LEU 67 2HD2 LEU 67 -4.561 -4.488 -0.991 503 3HD2 LEU 67 3HD2 LEU 67 -6.229 -5.078 -0.798 504 H GLN 68 H GLN 68 -10.333 -4.772 -1.225 505 HA GLN 68 HA GLN 68 -12.341 -3.091 0.095 506 1HB GLN 68 1HB GLN 68 -12.364 -6.011 -0.766 507 2HB GLN 68 2HB GLN 68 -13.767 -5.098 -0.160 508 1HG GLN 68 1HG GLN 68 -12.201 -4.674 -2.723 509 2HG GLN 68 2HG GLN 68 -13.939 -4.993 -2.531 510 1HE2 GLN 68 1HE2 GLN 68 -15.261 -3.304 -1.449 511 2HE2 GLN 68 2HE2 GLN 68 -14.805 -1.626 -1.649 512 H LYS 69 H LYS 69 -13.635 -4.570 1.861 513 HA LYS 69 HA LYS 69 -12.138 -4.454 4.205 514 1HB LYS 69 1HB LYS 69 -14.381 -6.442 3.741 515 2HB LYS 69 2HB LYS 69 -13.959 -5.577 5.239 516 1HG LYS 69 1HG LYS 69 -15.428 -3.970 4.651 517 2HG LYS 69 2HG LYS 69 -14.368 -3.574 3.277 518 1HD LYS 69 1HD LYS 69 -15.633 -4.803 1.770 519 2HD LYS 69 2HD LYS 69 -16.214 -5.932 3.017 520 1HE LYS 69 1HE LYS 69 -17.054 -3.157 3.505 521 2HE LYS 69 2HE LYS 69 -17.645 -3.791 1.953 522 1HZ LYS 69 1HZ LYS 69 -18.647 -5.575 3.058 523 2HZ LYS 69 2HZ LYS 69 -17.931 -5.215 4.499 524 3HZ LYS 69 3HZ LYS 69 -19.086 -4.214 3.880 525 H TRP 70 H TRP 70 -10.731 -5.774 5.263 526 HA TRP 70 HA TRP 70 -9.144 -7.427 5.442 527 1HB TRP 70 1HB TRP 70 -11.395 -9.257 4.589 528 2HB TRP 70 2HB TRP 70 -10.036 -9.628 5.659 529 HD1 TRP 70 HD TRP 70 -13.572 -8.745 5.741 530 HE1 TRP 70 1HE TRP 70 -14.347 -8.055 8.067 531 HE3 TRP 70 3HE TRP 70 -9.003 -8.082 7.950 532 HZ2 TRP 70 2HZ TRP 70 -13.140 -7.304 10.588 533 HZ3 TRP 70 3HZ TRP 70 -8.856 -7.380 10.311 534 HH2 TRP 70 HH TRP 70 -10.909 -6.987 11.641 535 H GLY 71 H GLY 71 -9.332 -6.122 2.830 536 1HA GLY 71 1HA GLY 71 -8.953 -8.256 0.858 537 2HA GLY 71 2HA GLY 71 -8.853 -6.503 0.579 538 H SER 72 H SER 72 -6.981 -8.570 -0.332 539 HA SER 72 HA SER 72 -4.544 -7.461 0.945 540 1HB SER 72 1HB SER 72 -4.393 -10.311 0.148 541 2HB SER 72 2HB SER 72 -3.719 -9.483 1.572 542 HG SER 72 HG SER 72 -6.030 -10.872 1.312 543 H TRP 73 H TRP 73 -2.617 -7.693 -0.440 544 HA TRP 73 HA TRP 73 -3.332 -8.052 -3.309 545 1HB TRP 73 1HB TRP 73 -3.188 -5.642 -2.581 546 2HB TRP 73 2HB TRP 73 -1.489 -5.928 -2.180 547 HD1 TRP 73 HD TRP 73 -3.024 -7.429 -5.327 548 HE1 TRP 73 1HE TRP 73 -1.982 -6.373 -7.398 549 HE3 TRP 73 3HE TRP 73 -0.295 -3.737 -3.064 550 HZ2 TRP 73 2HZ TRP 73 -0.181 -4.192 -8.009 551 HZ3 TRP 73 3HZ TRP 73 1.070 -2.193 -4.422 552 HH2 TRP 73 HH TRP 73 1.138 -2.406 -6.889 553 H ASN 74 H ASN 74 -2.013 -9.415 -4.375 554 HA ASN 74 HA ASN 74 0.724 -9.838 -3.312 555 1HB ASN 74 1HB ASN 74 0.427 -12.283 -3.584 556 2HB ASN 74 2HB ASN 74 -0.655 -11.610 -2.346 557 1HD2 ASN 74 1HD2 ASN 74 -1.489 -13.965 -3.145 558 2HD2 ASN 74 2HD2 ASN 74 -2.796 -13.872 -4.305 559 HA PRO 75 HA PRO 75 0.545 -9.240 -7.903 560 1HB PRO 75 1HB PRO 75 2.462 -7.310 -8.056 561 2HB PRO 75 2HB PRO 75 0.779 -6.934 -7.563 562 1HG PRO 75 1HG PRO 75 3.148 -7.472 -5.749 563 2HG PRO 75 2HG PRO 75 2.032 -6.068 -5.694 564 1HD PRO 75 1HD PRO 75 1.663 -8.242 -4.092 565 2HD PRO 75 2HD PRO 75 0.262 -7.425 -4.850 566 H GLY 76 H GLY 76 3.798 -8.343 -6.855 567 1HA GLY 76 1HA GLY 76 5.104 -10.754 -6.595 568 2HA GLY 76 2HA GLY 76 4.946 -10.539 -8.353 569 H HIS 77 H HIS 77 5.814 -8.589 -5.437 570 HA HIS 77 HA HIS 77 7.575 -7.174 -5.058 571 1HB HIS 77 1HB HIS 77 8.953 -9.049 -5.873 572 2HB HIS 77 2HB HIS 77 8.734 -8.488 -7.541 573 HD1 HIS 77 1HD HIS 77 9.398 -5.471 -7.345 574 HD2 HIS 77 2HD HIS 77 11.416 -8.523 -5.244 575 HE1 HIS 77 1HE HIS 77 11.713 -4.536 -6.735 576 HE2 HIS 77 2HE HIS 77 12.929 -6.399 -5.460 577 H ILE 78 H ILE 78 6.452 -5.259 -5.387 578 HA ILE 78 HA ILE 78 6.239 -4.220 -8.138 579 HB ILE 78 HB ILE 78 5.283 -3.062 -5.491 580 1HG1 ILE 78 1HG1 ILE 78 4.399 -5.390 -6.543 581 2HG1 ILE 78 2HG1 ILE 78 3.315 -4.231 -5.735 582 1HG2 ILE 78 1HG2 ILE 78 5.182 -1.247 -6.910 583 2HG2 ILE 78 2HG2 ILE 78 5.121 -2.260 -8.372 584 3HG2 ILE 78 3HG2 ILE 78 3.658 -2.036 -7.384 585 1HD1 ILE 78 1HD1 ILE 78 2.830 -5.173 -8.217 586 2HD1 ILE 78 2HD1 ILE 78 2.366 -3.530 -7.714 587 3HD1 ILE 78 3HD1 ILE 78 3.861 -3.786 -8.646 588 H HIS 79 H HIS 79 7.259 -2.339 -8.851 589 HA HIS 79 HA HIS 79 9.860 -1.841 -8.135 590 1HB HIS 79 1HB HIS 79 9.111 -0.840 -10.107 591 2HB HIS 79 2HB HIS 79 7.694 -0.118 -9.322 592 HD1 HIS 79 1HD HIS 79 11.462 0.288 -8.431 593 HD2 HIS 79 2HD HIS 79 8.003 2.453 -9.502 594 HE1 HIS 79 1HE HIS 79 12.090 2.778 -8.319 595 HE2 HIS 79 2HE HIS 79 9.981 4.082 -8.971 596 H GLU 80 H GLU 80 7.384 0.629 -7.315 597 HA GLU 80 HA GLU 80 8.090 0.579 -4.497 598 1HB GLU 80 1HB GLU 80 10.019 1.793 -5.591 599 2HB GLU 80 2HB GLU 80 8.855 3.029 -6.126 600 1HG GLU 80 1HG GLU 80 8.487 2.422 -3.305 601 2HG GLU 80 2HG GLU 80 10.171 2.887 -3.629 602 H ILE 81 H ILE 81 6.710 1.942 -3.234 603 HA ILE 81 HA ILE 81 4.143 2.424 -4.537 604 HB ILE 81 HB ILE 81 5.118 2.806 -1.679 605 1HG1 ILE 81 1HG1 ILE 81 5.051 0.454 -2.594 606 2HG1 ILE 81 2HG1 ILE 81 3.928 0.733 -1.241 607 1HG2 ILE 81 1HG2 ILE 81 2.417 3.141 -3.021 608 2HG2 ILE 81 2HG2 ILE 81 2.557 2.766 -1.287 609 3HG2 ILE 81 3HG2 ILE 81 3.263 4.267 -1.932 610 1HD1 ILE 81 1HD1 ILE 81 2.303 1.407 -3.295 611 2HD1 ILE 81 2HD1 ILE 81 3.355 0.245 -4.137 612 3HD1 ILE 81 3HD1 ILE 81 2.445 -0.262 -2.693 613 H LEU 82 H LEU 82 3.212 4.385 -4.992 614 HA LEU 82 HA LEU 82 5.038 6.692 -4.988 615 1HB LEU 82 1HB LEU 82 2.231 6.358 -6.119 616 2HB LEU 82 2HB LEU 82 3.341 7.714 -6.430 617 HG LEU 82 HG LEU 82 3.407 4.907 -7.466 618 1HD1 LEU 82 1HD1 LEU 82 4.722 6.463 -9.247 619 2HD1 LEU 82 2HD1 LEU 82 2.946 6.358 -9.190 620 3HD1 LEU 82 3HD1 LEU 82 3.783 7.720 -8.407 621 1HD2 LEU 82 1HD2 LEU 82 5.909 5.227 -7.892 622 2HD2 LEU 82 2HD2 LEU 82 5.859 6.521 -6.670 623 3HD2 LEU 82 3HD2 LEU 82 5.454 4.849 -6.213 624 H SER 83 H SER 83 1.548 6.224 -4.177 625 HA SER 83 HA SER 83 1.985 7.729 -1.676 626 1HB SER 83 1HB SER 83 1.411 9.361 -3.534 627 2HB SER 83 2HB SER 83 -0.157 8.531 -3.676 628 HG SER 83 HG SER 83 0.708 9.330 -1.141 629 H ILE 84 H ILE 84 -0.151 7.765 -0.390 630 HA ILE 84 HA ILE 84 -1.739 5.316 -0.960 631 HB ILE 84 HB ILE 84 -0.238 6.081 1.549 632 1HG1 ILE 84 1HG1 ILE 84 -0.712 3.424 0.134 633 2HG1 ILE 84 2HG1 ILE 84 0.702 4.469 -0.140 634 1HG2 ILE 84 1HG2 ILE 84 -2.831 4.536 1.275 635 2HG2 ILE 84 2HG2 ILE 84 -1.679 4.172 2.583 636 3HG2 ILE 84 3HG2 ILE 84 -2.401 5.794 2.459 637 1HD1 ILE 84 1HD1 ILE 84 1.400 2.869 1.493 638 2HD1 ILE 84 2HD1 ILE 84 1.080 4.366 2.401 639 3HD1 ILE 84 3HD1 ILE 84 -0.112 3.043 2.416 640 H ARG 85 H ARG 85 -3.895 5.616 -0.777 641 HA ARG 85 HA ARG 85 -4.804 8.102 0.598 642 1HB ARG 85 1HB ARG 85 -5.035 8.425 -1.784 643 2HB ARG 85 2HB ARG 85 -5.780 6.821 -1.982 644 1HG ARG 85 1HG ARG 85 -7.216 8.326 0.035 645 2HG ARG 85 2HG ARG 85 -7.094 9.286 -1.459 646 1HD ARG 85 1HD ARG 85 -7.934 7.345 -2.758 647 2HD ARG 85 2HD ARG 85 -8.084 6.412 -1.254 648 HE ARG 85 HE ARG 85 -10.053 7.527 -0.789 649 1HH1 ARG 85 1HH1 ARG 85 -11.474 10.334 -2.383 650 2HH1 ARG 85 2HH1 ARG 85 -11.724 9.067 -1.203 651 1HH2 ARG 85 1HH2 ARG 85 -9.463 10.467 -3.533 652 2HH2 ARG 85 2HH2 ARG 85 -8.197 9.301 -3.220 653 H ILE 86 H ILE 86 -6.287 7.810 2.166 654 HA ILE 86 HA ILE 86 -7.550 5.116 2.346 655 HB ILE 86 HB ILE 86 -7.025 7.091 4.595 656 1HG1 ILE 86 1HG1 ILE 86 -5.448 4.558 4.142 657 2HG1 ILE 86 2HG1 ILE 86 -4.989 6.043 3.275 658 1HG2 ILE 86 1HG2 ILE 86 -8.843 5.362 4.864 659 2HG2 ILE 86 2HG2 ILE 86 -7.611 4.102 4.612 660 3HG2 ILE 86 3HG2 ILE 86 -7.503 5.183 6.022 661 1HD1 ILE 86 1HD1 ILE 86 -4.909 7.251 5.466 662 2HD1 ILE 86 2HD1 ILE 86 -5.258 5.715 6.294 663 3HD1 ILE 86 3HD1 ILE 86 -3.743 5.910 5.380 664 H TYR 87 H TYR 87 -9.746 4.981 2.453 665 HA TYR 87 HA TYR 87 -11.237 7.446 1.926 666 1HB TYR 87 1HB TYR 87 -11.947 4.503 2.049 667 2HB TYR 87 2HB TYR 87 -13.159 5.772 1.805 668 HD1 TYR 87 1HD TYR 87 -13.831 6.037 -0.384 669 HD2 TYR 87 2HD TYR 87 -9.751 4.961 0.422 670 HE1 TYR 87 1HE TYR 87 -13.353 6.026 -2.818 671 HE2 TYR 87 2HE TYR 87 -9.273 4.950 -2.012 672 HH TYR 87 HH TYR 87 -10.350 6.121 -4.164 Start of MODEL 9 1 H MET 1 H MET 1 -2.186 13.868 6.880 2 HA MET 1 HA MET 1 -2.554 13.020 8.991 3 1HB MET 1 1HB MET 1 -5.159 12.584 7.508 4 2HB MET 1 2HB MET 1 -4.996 12.211 9.241 5 1HG MET 1 1HG MET 1 -4.140 14.537 9.601 6 2HG MET 1 2HG MET 1 -4.469 14.885 7.896 7 1HE MET 1 1HE MET 1 -5.612 16.735 10.233 8 2HE MET 1 2HE MET 1 -5.796 16.952 8.476 9 3HE MET 1 3HE MET 1 -7.225 17.017 9.536 10 H ILE 2 H ILE 2 -1.260 11.180 7.076 11 HA ILE 2 HA ILE 2 -2.216 8.592 8.207 12 HB ILE 2 HB ILE 2 -2.490 8.396 5.887 13 1HG1 ILE 2 1HG1 ILE 2 0.408 7.566 6.336 14 2HG1 ILE 2 2HG1 ILE 2 -1.002 6.622 6.875 15 1HG2 ILE 2 1HG2 ILE 2 0.189 9.803 5.520 16 2HG2 ILE 2 2HG2 ILE 2 -0.946 9.320 4.237 17 3HG2 ILE 2 3HG2 ILE 2 -1.397 10.601 5.387 18 1HD1 ILE 2 1HD1 ILE 2 -0.434 7.443 3.994 19 2HD1 ILE 2 2HD1 ILE 2 -0.130 5.829 4.680 20 3HD1 ILE 2 3HD1 ILE 2 -1.796 6.444 4.553 21 H ASN 3 H ASN 3 -0.731 7.253 9.202 22 HA ASN 3 HA ASN 3 2.099 8.127 9.219 23 1HB ASN 3 1HB ASN 3 2.159 7.883 11.683 24 2HB ASN 3 2HB ASN 3 1.076 9.194 11.167 25 1HD2 ASN 3 1HD2 ASN 3 1.369 6.379 13.063 26 2HD2 ASN 3 2HD2 ASN 3 -0.328 6.116 13.402 27 H ARG 4 H ARG 4 3.567 6.451 9.477 28 HA ARG 4 HA ARG 4 2.556 3.808 8.870 29 1HB ARG 4 1HB ARG 4 5.051 3.247 9.139 30 2HB ARG 4 2HB ARG 4 4.621 4.413 7.865 31 1HG ARG 4 1HG ARG 4 5.405 6.251 9.104 32 2HG ARG 4 2HG ARG 4 5.301 5.376 10.651 33 1HD ARG 4 1HD ARG 4 7.133 3.859 9.853 34 2HD ARG 4 2HD ARG 4 7.284 4.865 8.397 35 HE ARG 4 HE ARG 4 8.407 6.465 9.638 36 1HH1 ARG 4 1HH1 ARG 4 8.991 6.574 13.114 37 2HH1 ARG 4 2HH1 ARG 4 9.381 7.287 11.565 38 1HH2 ARG 4 1HH2 ARG 4 7.496 4.803 13.234 39 2HH2 ARG 4 2HH2 ARG 4 6.759 4.181 11.775 40 H THR 5 H THR 5 1.555 2.643 10.418 41 HA THR 5 HA THR 5 2.606 2.814 13.189 42 HB THR 5 HB THR 5 0.200 3.252 12.862 43 HG1 THR 5 1HG THR 5 0.925 2.144 14.737 44 1HG2 THR 5 1HG2 THR 5 0.333 0.522 11.543 45 2HG2 THR 5 2HG2 THR 5 -1.188 1.168 12.205 46 3HG2 THR 5 3HG2 THR 5 -0.348 2.035 10.896 47 H ASP 6 H ASP 6 3.035 0.886 14.386 48 HA ASP 6 HA ASP 6 4.070 -1.270 12.670 49 1HB ASP 6 1HB ASP 6 5.241 -0.092 14.704 50 2HB ASP 6 2HB ASP 6 4.241 -1.192 15.678 51 H CYS 7 H CYS 7 1.159 -0.886 12.930 52 HA CYS 7 HA CYS 7 -0.734 -2.108 13.344 53 1HB CYS 7 1HB CYS 7 0.360 -4.728 13.653 54 2HB CYS 7 2HB CYS 7 -0.471 -4.031 12.253 55 H ASN 8 H ASN 8 -1.508 -1.531 15.329 56 HA ASN 8 HA ASN 8 -0.826 -3.343 17.557 57 1HB ASN 8 1HB ASN 8 -0.978 -0.412 18.162 58 2HB ASN 8 2HB ASN 8 -0.100 -1.705 19.009 59 1HD2 ASN 8 1HD2 ASN 8 -0.171 -0.044 15.801 60 2HD2 ASN 8 2HD2 ASN 8 1.567 0.001 15.597 61 H GLU 9 H GLU 9 -3.051 -3.900 16.473 62 HA GLU 9 HA GLU 9 -5.078 -3.304 18.311 63 1HB GLU 9 1HB GLU 9 -5.090 -1.025 17.531 64 2HB GLU 9 2HB GLU 9 -5.107 -1.548 15.830 65 1HG GLU 9 1HG GLU 9 -7.340 -1.998 15.857 66 2HG GLU 9 2HG GLU 9 -7.285 -2.669 17.502 67 H ASN 10 H ASN 10 -6.014 -2.975 14.956 68 HA ASN 10 HA ASN 10 -5.965 -5.613 14.060 69 1HB ASN 10 1HB ASN 10 -7.557 -5.530 16.300 70 2HB ASN 10 2HB ASN 10 -8.746 -5.286 15.002 71 1HD2 ASN 10 1HD2 ASN 10 -9.737 -7.219 14.711 72 2HD2 ASN 10 2HD2 ASN 10 -8.911 -8.741 14.456 73 H SER 11 H SER 11 -7.429 -5.967 12.202 74 HA SER 11 HA SER 11 -8.171 -5.161 10.179 75 1HB SER 11 1HB SER 11 -10.317 -4.391 10.355 76 2HB SER 11 2HB SER 11 -10.082 -4.819 12.067 77 HG SER 11 HG SER 11 -10.112 -2.320 10.825 78 H TYR 12 H TYR 12 -6.395 -4.165 9.249 79 HA TYR 12 HA TYR 12 -6.556 -1.286 9.004 80 1HB TYR 12 1HB TYR 12 -4.598 -2.566 10.839 81 2HB TYR 12 2HB TYR 12 -3.946 -1.343 9.735 82 HD1 TYR 12 1HD TYR 12 -6.327 0.493 9.575 83 HD2 TYR 12 2HD TYR 12 -4.474 -1.463 12.920 84 HE1 TYR 12 1HE TYR 12 -7.148 2.287 11.078 85 HE2 TYR 12 2HE TYR 12 -5.295 0.330 14.424 86 HH TYR 12 HH TYR 12 -6.113 2.615 14.385 87 H LEU 13 H LEU 13 -4.587 -0.510 7.628 88 HA LEU 13 HA LEU 13 -4.304 -2.481 5.453 89 1HB LEU 13 1HB LEU 13 -4.957 -0.445 4.551 90 2HB LEU 13 2HB LEU 13 -4.036 0.501 5.745 91 HG LEU 13 HG LEU 13 -1.945 -0.650 4.620 92 1HD1 LEU 13 1HD1 LEU 13 -3.079 -0.533 2.009 93 2HD1 LEU 13 2HD1 LEU 13 -2.414 -1.957 2.845 94 3HD1 LEU 13 3HD1 LEU 13 -4.146 -1.570 2.986 95 1HD2 LEU 13 1HD2 LEU 13 -2.701 1.228 2.619 96 2HD2 LEU 13 2HD2 LEU 13 -3.451 1.774 4.138 97 3HD2 LEU 13 3HD2 LEU 13 -1.692 1.517 4.057 98 H GLU 14 H GLU 14 -2.405 -3.436 4.881 99 HA GLU 14 HA GLU 14 0.090 -2.438 6.122 100 1HB GLU 14 1HB GLU 14 -0.643 -5.379 6.170 101 2HB GLU 14 2HB GLU 14 0.676 -4.551 7.032 102 1HG GLU 14 1HG GLU 14 -1.000 -3.284 8.354 103 2HG GLU 14 2HG GLU 14 -2.305 -4.148 7.511 104 H ILE 15 H ILE 15 1.942 -2.851 4.905 105 HA ILE 15 HA ILE 15 1.540 -4.335 2.362 106 HB ILE 15 HB ILE 15 2.874 -1.614 2.649 107 1HG1 ILE 15 1HG1 ILE 15 0.421 -2.189 0.994 108 2HG1 ILE 15 2HG1 ILE 15 0.242 -1.916 2.743 109 1HG2 ILE 15 1HG2 ILE 15 2.975 -3.734 0.647 110 2HG2 ILE 15 2HG2 ILE 15 2.299 -2.237 -0.040 111 3HG2 ILE 15 3HG2 ILE 15 3.903 -2.217 0.731 112 1HD1 ILE 15 1HD1 ILE 15 0.170 0.125 1.040 113 2HD1 ILE 15 2HD1 ILE 15 0.985 0.286 2.614 114 3HD1 ILE 15 3HD1 ILE 15 1.941 -0.013 1.143 115 H HIS 16 H HIS 16 3.026 -5.900 2.210 116 HA HIS 16 HA HIS 16 5.648 -5.446 3.558 117 1HB HIS 16 1HB HIS 16 5.724 -7.827 3.998 118 2HB HIS 16 2HB HIS 16 4.217 -7.159 4.652 119 HD1 HIS 16 1HD HIS 16 5.481 -9.589 2.007 120 HD2 HIS 16 2HD HIS 16 1.900 -7.834 3.388 121 HE1 HIS 16 1HE HIS 16 3.554 -10.927 0.956 122 HE2 HIS 16 2HE HIS 16 1.385 -9.852 1.802 123 H ASN 17 H ASN 17 6.959 -4.822 1.900 124 HA ASN 17 HA ASN 17 6.798 -6.353 -0.638 125 1HB ASN 17 1HB ASN 17 8.257 -4.502 -1.490 126 2HB ASN 17 2HB ASN 17 6.675 -3.951 -0.897 127 1HD2 ASN 17 1HD2 ASN 17 8.409 -1.971 -1.048 128 2HD2 ASN 17 2HD2 ASN 17 9.096 -1.553 0.507 129 H ASN 18 H ASN 18 9.303 -6.150 -1.634 130 HA ASN 18 HA ASN 18 11.352 -7.167 -1.589 131 1HB ASN 18 1HB ASN 18 11.057 -6.013 1.160 132 2HB ASN 18 2HB ASN 18 12.398 -7.142 0.867 133 1HD2 ASN 18 1HD2 ASN 18 11.773 -3.960 1.048 134 2HD2 ASN 18 2HD2 ASN 18 12.876 -3.332 -0.158 135 H GLU 19 H GLU 19 9.007 -8.810 -1.375 136 HA GLU 19 HA GLU 19 8.480 -11.005 -0.995 137 1HB GLU 19 1HB GLU 19 11.444 -11.112 -0.328 138 2HB GLU 19 2HB GLU 19 10.396 -12.549 -0.405 139 1HG GLU 19 1HG GLU 19 9.787 -11.954 -2.742 140 2HG GLU 19 2HG GLU 19 10.884 -10.559 -2.660 141 H GLY 20 H GLY 20 8.154 -8.962 1.089 142 1HA GLY 20 1HA GLY 20 7.245 -9.043 3.219 143 2HA GLY 20 2HA GLY 20 7.638 -10.775 3.306 144 H ARG 21 H ARG 21 9.761 -7.944 2.667 145 HA ARG 21 HA ARG 21 11.526 -8.894 4.845 146 1HB ARG 21 1HB ARG 21 12.341 -8.415 2.464 147 2HB ARG 21 2HB ARG 21 12.063 -6.694 2.825 148 1HG ARG 21 1HG ARG 21 13.507 -8.025 4.991 149 2HG ARG 21 2HG ARG 21 14.367 -8.181 3.441 150 1HD ARG 21 1HD ARG 21 14.513 -5.846 3.147 151 2HD ARG 21 2HD ARG 21 13.215 -5.524 4.316 152 HE ARG 21 HE ARG 21 14.745 -5.712 6.071 153 1HH1 ARG 21 1HH1 ARG 21 18.231 -6.184 5.825 154 2HH1 ARG 21 2HH1 ARG 21 16.908 -5.752 6.884 155 1HH2 ARG 21 1HH2 ARG 21 17.816 -6.717 3.605 156 2HH2 ARG 21 2HH2 ARG 21 16.179 -6.687 2.990 157 H ASP 22 H ASP 22 9.843 -5.944 3.661 158 HA ASP 22 HA ASP 22 9.983 -4.909 6.451 159 1HB ASP 22 1HB ASP 22 10.515 -3.478 3.831 160 2HB ASP 22 2HB ASP 22 10.100 -2.611 5.325 161 H THR 23 H THR 23 7.977 -4.765 7.256 162 HA THR 23 HA THR 23 5.733 -4.427 5.341 163 HB THR 23 HB THR 23 5.754 -5.308 8.255 164 HG1 THR 23 1HG THR 23 6.705 -6.773 6.742 165 1HG2 THR 23 1HG2 THR 23 3.623 -4.824 6.185 166 2HG2 THR 23 2HG2 THR 23 3.410 -6.172 7.327 167 3HG2 THR 23 3HG2 THR 23 3.594 -4.510 7.937 168 H LEU 24 H LEU 24 4.108 -2.852 5.723 169 HA LEU 24 HA LEU 24 4.795 -0.774 7.731 170 1HB LEU 24 1HB LEU 24 3.869 -0.048 4.946 171 2HB LEU 24 2HB LEU 24 4.681 0.970 6.160 172 HG LEU 24 HG LEU 24 6.356 -1.306 5.596 173 1HD1 LEU 24 1HD1 LEU 24 6.815 -0.614 3.155 174 2HD1 LEU 24 2HD1 LEU 24 5.352 -1.583 3.450 175 3HD1 LEU 24 3HD1 LEU 24 5.219 0.174 3.198 176 1HD2 LEU 24 1HD2 LEU 24 7.980 0.408 5.127 177 2HD2 LEU 24 2HD2 LEU 24 6.710 1.595 4.745 178 3HD2 LEU 24 3HD2 LEU 24 6.933 1.038 6.421 179 H CYS 25 H CYS 25 3.094 -0.767 9.078 180 HA CYS 25 HA CYS 25 0.403 -1.309 7.965 181 1HB CYS 25 1HB CYS 25 1.217 -1.009 10.865 182 2HB CYS 25 2HB CYS 25 -0.252 -1.756 10.215 183 H PHE 26 H PHE 26 -0.858 0.372 7.446 184 HA PHE 26 HA PHE 26 -0.310 2.974 8.786 185 1HB PHE 26 1HB PHE 26 -1.607 2.293 6.128 186 2HB PHE 26 2HB PHE 26 -1.511 3.926 6.807 187 HD1 PHE 26 1HD PHE 26 0.195 1.367 4.917 188 HD2 PHE 26 2HD PHE 26 0.786 4.937 7.231 189 HE1 PHE 26 1HE PHE 26 2.436 1.657 3.896 190 HE2 PHE 26 2HE PHE 26 3.027 5.227 6.210 191 HZ PHE 26 HZ PHE 26 3.852 3.588 4.542 192 H ALA 27 H ALA 27 -2.154 4.299 9.372 193 HA ALA 27 HA ALA 27 -4.723 2.845 9.598 194 1HB ALA 27 1HB ALA 27 -4.905 3.361 11.966 195 2HB ALA 27 2HB ALA 27 -3.398 2.454 11.690 196 3HB ALA 27 3HB ALA 27 -3.343 4.216 11.938 197 H ASN 28 H ASN 28 -6.384 4.482 10.663 198 HA ASN 28 HA ASN 28 -7.520 6.460 10.465 199 1HB ASN 28 1HB ASN 28 -4.658 7.397 10.284 200 2HB ASN 28 2HB ASN 28 -5.993 8.540 10.020 201 1HD2 ASN 28 1HD2 ASN 28 -4.320 6.490 12.351 202 2HD2 ASN 28 2HD2 ASN 28 -5.122 7.106 13.780 203 H ALA 29 H ALA 29 -8.577 7.626 8.849 204 HA ALA 29 HA ALA 29 -8.314 6.617 6.200 205 1HB ALA 29 1HB ALA 29 -10.104 8.072 5.677 206 2HB ALA 29 2HB ALA 29 -10.356 7.662 7.390 207 3HB ALA 29 3HB ALA 29 -9.647 9.233 6.946 208 H GLY 30 H GLY 30 -6.310 8.706 7.881 209 1HA GLY 30 1HA GLY 30 -5.708 10.863 6.309 210 2HA GLY 30 2HA GLY 30 -4.468 9.880 7.121 211 H THR 31 H THR 31 -4.245 11.276 4.548 212 HA THR 31 HA THR 31 -3.547 8.911 2.902 213 HB THR 31 HB THR 31 -5.172 11.324 2.022 214 HG1 THR 31 1HG THR 31 -6.393 9.637 2.799 215 1HG2 THR 31 1HG2 THR 31 -3.905 9.130 0.326 216 2HG2 THR 31 2HG2 THR 31 -4.941 10.453 -0.262 217 3HG2 THR 31 3HG2 THR 31 -3.333 10.813 0.411 218 H MET 32 H MET 32 -1.427 9.020 2.493 219 HA MET 32 HA MET 32 -0.262 11.649 1.803 220 1HB MET 32 1HB MET 32 1.575 11.376 3.348 221 2HB MET 32 2HB MET 32 0.060 11.227 4.270 222 1HG MET 32 1HG MET 32 0.209 8.781 4.151 223 2HG MET 32 2HG MET 32 1.686 8.901 3.180 224 1HE MET 32 1HE MET 32 3.155 7.420 6.416 225 2HE MET 32 2HE MET 32 1.521 7.061 5.808 226 3HE MET 32 3HE MET 32 2.874 7.249 4.666 227 HA PRO 33 HA PRO 33 1.882 9.303 -1.221 228 1HB PRO 33 1HB PRO 33 4.181 10.726 -1.555 229 2HB PRO 33 2HB PRO 33 2.575 11.414 -1.963 230 1HG PRO 33 1HG PRO 33 4.129 11.777 0.614 231 2HG PRO 33 2HG PRO 33 3.427 13.061 -0.423 232 1HD PRO 33 1HD PRO 33 2.095 12.107 1.756 233 2HD PRO 33 2HD PRO 33 1.212 12.480 0.245 234 H VAL 34 H VAL 34 2.972 7.409 -1.109 235 HA VAL 34 HA VAL 34 5.139 7.172 0.918 236 HB VAL 34 HB VAL 34 4.333 4.990 1.549 237 1HG1 VAL 34 1HG1 VAL 34 1.876 6.774 1.382 238 2HG1 VAL 34 2HG1 VAL 34 2.282 5.585 2.642 239 3HG1 VAL 34 3HG1 VAL 34 3.221 7.091 2.502 240 1HG2 VAL 34 1HG2 VAL 34 3.090 5.100 -1.022 241 2HG2 VAL 34 2HG2 VAL 34 3.134 3.731 0.115 242 3HG2 VAL 34 3HG2 VAL 34 1.794 4.902 0.182 243 H ALA 35 H ALA 35 6.639 5.353 0.435 244 HA ALA 35 HA ALA 35 6.726 4.752 -2.481 245 1HB ALA 35 1HB ALA 35 8.572 6.296 -0.873 246 2HB ALA 35 2HB ALA 35 9.375 4.825 -1.474 247 3HB ALA 35 3HB ALA 35 8.617 5.956 -2.620 248 H ILE 36 H ILE 36 6.369 2.619 -2.662 249 HA ILE 36 HA ILE 36 7.868 0.826 -0.820 250 HB ILE 36 HB ILE 36 4.947 0.731 -1.625 251 1HG1 ILE 36 1HG1 ILE 36 5.738 0.027 1.107 252 2HG1 ILE 36 2HG1 ILE 36 6.315 1.646 0.644 253 1HG2 ILE 36 1HG2 ILE 36 6.448 -1.498 -0.217 254 2HG2 ILE 36 2HG2 ILE 36 4.820 -1.539 -0.935 255 3HG2 ILE 36 3HG2 ILE 36 6.255 -1.474 -1.986 256 1HD1 ILE 36 1HD1 ILE 36 3.531 0.638 1.003 257 2HD1 ILE 36 2HD1 ILE 36 4.199 2.266 1.273 258 3HD1 ILE 36 3HD1 ILE 36 3.793 1.733 -0.376 259 H TYR 37 H TYR 37 9.358 -0.134 -2.081 260 HA TYR 37 HA TYR 37 8.593 -0.813 -4.870 261 1HB TYR 37 1HB TYR 37 11.332 -0.787 -3.566 262 2HB TYR 37 2HB TYR 37 10.971 -0.949 -5.293 263 HD1 TYR 37 1HD TYR 37 10.801 1.392 -2.398 264 HD2 TYR 37 2HD TYR 37 10.663 0.954 -6.668 265 HE1 TYR 37 1HE TYR 37 10.925 3.856 -2.654 266 HE2 TYR 37 2HE TYR 37 10.787 3.417 -6.925 267 HH TYR 37 HH TYR 37 10.147 5.601 -4.627 268 H GLY 38 H GLY 38 8.605 -2.914 -5.598 269 1HA GLY 38 1HA GLY 38 8.820 -5.214 -5.526 270 2HA GLY 38 2HA GLY 38 9.790 -5.057 -4.044 271 H VAL 39 H VAL 39 6.396 -4.393 -5.101 272 HA VAL 39 HA VAL 39 5.396 -5.076 -2.446 273 HB VAL 39 HB VAL 39 3.962 -4.438 -5.055 274 1HG1 VAL 39 1HG1 VAL 39 1.991 -4.146 -3.701 275 2HG1 VAL 39 2HG1 VAL 39 2.675 -5.735 -3.278 276 3HG1 VAL 39 3HG1 VAL 39 2.922 -4.342 -2.197 277 1HG2 VAL 39 1HG2 VAL 39 3.714 -2.195 -4.096 278 2HG2 VAL 39 2HG2 VAL 39 4.577 -2.703 -2.624 279 3HG2 VAL 39 3HG2 VAL 39 5.441 -2.620 -4.178 280 H ASN 40 H ASN 40 5.088 -7.118 -1.799 281 HA ASN 40 HA ASN 40 4.684 -9.197 -3.879 282 1HB ASN 40 1HB ASN 40 5.711 -9.177 -1.043 283 2HB ASN 40 2HB ASN 40 5.090 -10.679 -1.760 284 1HD2 ASN 40 1HD2 ASN 40 6.954 -7.937 -3.180 285 2HD2 ASN 40 2HD2 ASN 40 8.293 -8.915 -3.742 286 H TRP 41 H TRP 41 3.320 -7.848 -0.854 287 HA TRP 41 HA TRP 41 0.655 -8.633 -1.683 288 1HB TRP 41 1HB TRP 41 1.281 -10.767 -0.833 289 2HB TRP 41 2HB TRP 41 2.070 -10.054 0.581 290 HD1 TRP 41 HD TRP 41 0.011 -8.370 1.939 291 HE1 TRP 41 1HE TRP 41 -2.181 -9.264 2.877 292 HE3 TRP 41 3HE TRP 41 -0.392 -12.628 -0.872 293 HZ2 TRP 41 2HZ TRP 41 -3.909 -11.550 2.466 294 HZ3 TRP 41 3HZ TRP 41 -2.321 -14.137 -0.571 295 HH2 TRP 41 HH TRP 41 -4.084 -13.614 1.090 296 H VAL 42 H VAL 42 -0.973 -7.625 -0.406 297 HA VAL 42 HA VAL 42 0.034 -5.786 1.700 298 HB VAL 42 HB VAL 42 -1.483 -5.124 -0.825 299 1HG1 VAL 42 1HG1 VAL 42 -3.013 -4.159 0.636 300 2HG1 VAL 42 2HG1 VAL 42 -1.804 -3.940 1.924 301 3HG1 VAL 42 3HG1 VAL 42 -1.815 -2.847 0.519 302 1HG2 VAL 42 1HG2 VAL 42 0.075 -3.187 -0.768 303 2HG2 VAL 42 2HG2 VAL 42 0.747 -3.787 0.768 304 3HG2 VAL 42 3HG2 VAL 42 0.950 -4.737 -0.723 305 H GLU 43 H GLU 43 -1.332 -5.546 3.433 306 HA GLU 43 HA GLU 43 -3.691 -7.324 3.439 307 1HB GLU 43 1HB GLU 43 -2.533 -5.766 5.768 308 2HB GLU 43 2HB GLU 43 -3.541 -7.233 5.809 309 1HG GLU 43 1HG GLU 43 -1.719 -8.502 4.702 310 2HG GLU 43 2HG GLU 43 -0.712 -7.038 4.694 311 H SER 44 H SER 44 -5.728 -6.561 4.371 312 HA SER 44 HA SER 44 -6.142 -3.671 4.516 313 1HB SER 44 1HB SER 44 -7.792 -5.206 2.501 314 2HB SER 44 2HB SER 44 -7.581 -3.447 2.672 315 HG SER 44 HG SER 44 -5.810 -5.370 1.628 316 H GLY 45 H GLY 45 -6.654 -4.344 6.705 317 1HA GLY 45 1HA GLY 45 -8.456 -6.268 7.520 318 2HA GLY 45 2HA GLY 45 -8.261 -4.692 8.321 319 H ASN 46 H ASN 46 -10.649 -5.157 8.754 320 HA ASN 46 HA ASN 46 -12.528 -5.027 6.599 321 1HB ASN 46 1HB ASN 46 -12.859 -5.862 9.007 322 2HB ASN 46 2HB ASN 46 -13.012 -4.151 9.459 323 1HD2 ASN 46 1HD2 ASN 46 -15.050 -6.281 9.617 324 2HD2 ASN 46 2HD2 ASN 46 -16.386 -5.755 8.615 325 H ASN 47 H ASN 47 -10.882 -3.136 5.765 326 HA ASN 47 HA ASN 47 -12.499 -0.702 6.033 327 1HB ASN 47 1HB ASN 47 -10.226 0.569 6.329 328 2HB ASN 47 2HB ASN 47 -11.042 -0.117 7.750 329 1HD2 ASN 47 1HD2 ASN 47 -8.500 -0.755 5.299 330 2HD2 ASN 47 2HD2 ASN 47 -7.531 -1.801 6.314 331 H VAL 48 H VAL 48 -12.376 0.615 4.217 332 HA VAL 48 HA VAL 48 -11.073 -0.643 1.894 333 HB VAL 48 HB VAL 48 -12.841 1.824 1.967 334 1HG1 VAL 48 1HG1 VAL 48 -11.636 0.044 -0.085 335 2HG1 VAL 48 2HG1 VAL 48 -13.355 0.431 -0.337 336 3HG1 VAL 48 3HG1 VAL 48 -12.157 1.742 -0.210 337 1HG2 VAL 48 1HG2 VAL 48 -14.752 0.374 1.674 338 2HG2 VAL 48 2HG2 VAL 48 -13.712 -1.068 1.581 339 3HG2 VAL 48 3HG2 VAL 48 -13.878 -0.188 3.119 340 H VAL 49 H VAL 49 -9.128 -0.008 1.192 341 HA VAL 49 HA VAL 49 -8.331 2.818 1.645 342 HB VAL 49 HB VAL 49 -6.794 0.302 2.360 343 1HG1 VAL 49 1HG1 VAL 49 -5.789 2.701 1.130 344 2HG1 VAL 49 2HG1 VAL 49 -5.264 2.679 2.830 345 3HG1 VAL 49 3HG1 VAL 49 -4.871 1.312 1.760 346 1HG2 VAL 49 1HG2 VAL 49 -7.831 0.982 4.304 347 2HG2 VAL 49 2HG2 VAL 49 -6.413 2.056 4.373 348 3HG2 VAL 49 3HG2 VAL 49 -7.968 2.673 3.765 349 H THR 50 H THR 50 -7.302 3.746 -0.077 350 HA THR 50 HA THR 50 -7.054 2.047 -2.488 351 HB THR 50 HB THR 50 -7.500 4.950 -1.915 352 HG1 THR 50 1HG THR 50 -9.073 3.338 -2.641 353 1HG2 THR 50 1HG2 THR 50 -6.157 3.897 -4.442 354 2HG2 THR 50 2HG2 THR 50 -6.756 5.555 -4.197 355 3HG2 THR 50 3HG2 THR 50 -5.396 4.947 -3.223 356 H LEU 51 H LEU 51 -5.130 1.578 -3.426 357 HA LEU 51 HA LEU 51 -2.711 2.731 -2.123 358 1HB LEU 51 1HB LEU 51 -3.350 0.042 -3.343 359 2HB LEU 51 2HB LEU 51 -1.666 0.608 -3.232 360 HG LEU 51 HG LEU 51 -3.642 0.105 -0.985 361 1HD1 LEU 51 1HD1 LEU 51 -2.428 -1.823 -1.086 362 2HD1 LEU 51 2HD1 LEU 51 -1.122 -1.065 -2.028 363 3HD1 LEU 51 3HD1 LEU 51 -1.176 -0.864 -0.260 364 1HD2 LEU 51 1HD2 LEU 51 -1.109 1.788 -0.996 365 2HD2 LEU 51 2HD2 LEU 51 -2.737 2.265 -0.456 366 3HD2 LEU 51 3HD2 LEU 51 -1.795 1.086 0.488 367 H GLN 52 H GLN 52 -1.445 4.028 -3.315 368 HA GLN 52 HA GLN 52 -1.858 3.995 -6.267 369 1HB GLN 52 1HB GLN 52 -1.334 6.196 -4.270 370 2HB GLN 52 2HB GLN 52 -0.843 6.394 -5.969 371 1HG GLN 52 1HG GLN 52 -3.374 5.402 -6.277 372 2HG GLN 52 2HG GLN 52 -3.558 6.313 -4.763 373 1HE2 GLN 52 1HE2 GLN 52 -2.051 6.655 -8.030 374 2HE2 GLN 52 2HE2 GLN 52 -2.499 8.333 -8.247 375 H PHE 53 H PHE 53 -0.243 2.851 -7.181 376 HA PHE 53 HA PHE 53 2.525 3.550 -6.364 377 1HB PHE 53 1HB PHE 53 3.162 1.194 -6.518 378 2HB PHE 53 2HB PHE 53 1.929 1.437 -5.269 379 HD1 PHE 53 1HD PHE 53 -0.436 0.754 -5.703 380 HD2 PHE 53 2HD PHE 53 2.756 -0.198 -8.414 381 HE1 PHE 53 1HE PHE 53 -1.855 -0.981 -6.764 382 HE2 PHE 53 2HE PHE 53 1.337 -1.933 -9.475 383 HZ PHE 53 HZ PHE 53 -0.969 -2.325 -8.650 384 H GLN 54 H GLN 54 4.115 3.172 -8.050 385 HA GLN 54 HA GLN 54 2.876 3.395 -10.739 386 1HB GLN 54 1HB GLN 54 4.618 5.065 -9.562 387 2HB GLN 54 2HB GLN 54 5.784 3.912 -10.253 388 1HG GLN 54 1HG GLN 54 4.999 4.279 -12.468 389 2HG GLN 54 2HG GLN 54 3.515 5.072 -11.897 390 1HE2 GLN 54 1HE2 GLN 54 6.883 5.462 -12.717 391 2HE2 GLN 54 2HE2 GLN 54 6.982 7.188 -12.441 392 H ARG 55 H ARG 55 2.770 1.532 -11.841 393 HA ARG 55 HA ARG 55 4.067 -0.851 -11.210 394 1HB ARG 55 1HB ARG 55 2.395 0.179 -13.291 395 2HB ARG 55 2HB ARG 55 3.749 -0.687 -14.057 396 1HG ARG 55 1HG ARG 55 2.162 -1.852 -11.741 397 2HG ARG 55 2HG ARG 55 1.706 -2.111 -13.441 398 1HD ARG 55 1HD ARG 55 3.646 -3.335 -13.913 399 2HD ARG 55 2HD ARG 55 4.541 -2.632 -12.548 400 HE ARG 55 HE ARG 55 2.350 -4.101 -11.509 401 1HH1 ARG 55 1HH1 ARG 55 4.124 -7.126 -11.130 402 2HH1 ARG 55 2HH1 ARG 55 2.704 -6.220 -10.658 403 1HH2 ARG 55 1HH2 ARG 55 5.653 -6.200 -12.610 404 2HH2 ARG 55 2HH2 ARG 55 5.385 -4.595 -13.254 405 H ASN 56 H ASN 56 5.000 1.490 -13.801 406 HA ASN 56 HA ASN 56 7.758 0.373 -13.617 407 1HB ASN 56 1HB ASN 56 6.117 1.490 -15.892 408 2HB ASN 56 2HB ASN 56 7.892 1.507 -15.963 409 1HD2 ASN 56 1HD2 ASN 56 6.832 0.073 -17.912 410 2HD2 ASN 56 2HD2 ASN 56 6.903 -1.647 -17.597 411 H LEU 57 H LEU 57 9.508 1.795 -13.489 412 HA LEU 57 HA LEU 57 8.845 4.405 -12.343 413 1HB LEU 57 1HB LEU 57 10.573 3.068 -11.281 414 2HB LEU 57 2HB LEU 57 11.468 2.936 -12.814 415 HG LEU 57 HG LEU 57 11.759 5.402 -12.845 416 1HD1 LEU 57 1HD1 LEU 57 9.615 5.372 -11.062 417 2HD1 LEU 57 2HD1 LEU 57 11.004 5.782 -10.028 418 3HD1 LEU 57 3HD1 LEU 57 10.627 6.784 -11.450 419 1HD2 LEU 57 1HD2 LEU 57 13.182 3.601 -11.416 420 2HD2 LEU 57 2HD2 LEU 57 13.581 5.335 -11.441 421 3HD2 LEU 57 3HD2 LEU 57 12.647 4.656 -10.087 422 H SER 58 H SER 58 10.882 3.178 -15.062 423 HA SER 58 HA SER 58 11.639 5.590 -16.178 424 1HB SER 58 1HB SER 58 11.660 2.879 -16.912 425 2HB SER 58 2HB SER 58 10.800 3.702 -18.235 426 HG SER 58 HG SER 58 12.557 5.199 -18.286 427 H ASP 59 H ASP 59 8.564 3.800 -16.707 428 HA ASP 59 HA ASP 59 7.512 6.197 -18.115 429 1HB ASP 59 1HB ASP 59 7.372 4.082 -19.345 430 2HB ASP 59 2HB ASP 59 6.520 3.324 -17.982 431 HA PRO 60 HA PRO 60 5.055 7.171 -14.595 432 1HB PRO 60 1HB PRO 60 3.172 8.759 -15.759 433 2HB PRO 60 2HB PRO 60 4.897 9.245 -15.674 434 1HG PRO 60 1HG PRO 60 3.480 7.896 -17.991 435 2HG PRO 60 2HG PRO 60 4.473 9.389 -18.043 436 1HD PRO 60 1HD PRO 60 5.533 6.954 -18.656 437 2HD PRO 60 2HD PRO 60 6.480 8.145 -17.712 438 H ARG 61 H ARG 61 4.655 4.559 -15.419 439 HA ARG 61 HA ARG 61 1.912 4.099 -16.215 440 1HB ARG 61 1HB ARG 61 4.336 2.582 -15.824 441 2HB ARG 61 2HB ARG 61 3.002 1.803 -14.941 442 1HG ARG 61 1HG ARG 61 1.600 1.953 -17.012 443 2HG ARG 61 2HG ARG 61 3.008 2.611 -17.880 444 1HD ARG 61 1HD ARG 61 3.480 0.100 -16.349 445 2HD ARG 61 2HD ARG 61 2.411 -0.046 -17.761 446 HE ARG 61 HE ARG 61 4.872 1.424 -18.296 447 1HH1 ARG 61 1HH1 ARG 61 6.179 -1.286 -20.136 448 2HH1 ARG 61 2HH1 ARG 61 6.361 0.408 -19.742 449 1HH2 ARG 61 1HH2 ARG 61 4.444 -2.515 -19.206 450 2HH2 ARG 61 2HH2 ARG 61 3.316 -1.746 -18.111 451 H LEU 62 H LEU 62 0.842 5.480 -14.611 452 HA LEU 62 HA LEU 62 1.025 4.767 -11.805 453 1HB LEU 62 1HB LEU 62 -0.174 6.840 -13.458 454 2HB LEU 62 2HB LEU 62 -1.338 6.230 -12.258 455 HG LEU 62 HG LEU 62 0.398 8.159 -11.635 456 1HD1 LEU 62 1HD1 LEU 62 -1.303 6.702 -10.219 457 2HD1 LEU 62 2HD1 LEU 62 0.181 5.914 -9.633 458 3HD1 LEU 62 3HD1 LEU 62 -0.050 7.663 -9.399 459 1HD2 LEU 62 1HD2 LEU 62 2.496 7.421 -10.866 460 2HD2 LEU 62 2HD2 LEU 62 1.974 5.721 -10.780 461 3HD2 LEU 62 3HD2 LEU 62 2.273 6.481 -12.361 462 H GLU 63 H GLU 63 -0.298 3.449 -10.620 463 HA GLU 63 HA GLU 63 -2.651 2.274 -11.992 464 1HB GLU 63 1HB GLU 63 -0.488 0.693 -10.548 465 2HB GLU 63 2HB GLU 63 -1.987 0.029 -11.239 466 1HG GLU 63 1HG GLU 63 0.272 1.402 -12.749 467 2HG GLU 63 2HG GLU 63 -0.161 -0.320 -12.816 468 H THR 64 H THR 64 -4.394 1.987 -10.668 469 HA THR 64 HA THR 64 -3.948 2.605 -7.784 470 HB THR 64 HB THR 64 -6.473 3.258 -7.990 471 HG1 THR 64 1HG THR 64 -5.641 3.704 -10.656 472 1HG2 THR 64 1HG2 THR 64 -5.506 5.270 -7.690 473 2HG2 THR 64 2HG2 THR 64 -3.983 4.652 -8.373 474 3HG2 THR 64 3HG2 THR 64 -5.209 5.376 -9.442 475 H ILE 65 H ILE 65 -4.881 1.282 -6.251 476 HA ILE 65 HA ILE 65 -6.536 -0.977 -7.228 477 HB ILE 65 HB ILE 65 -4.047 -1.580 -7.034 478 1HG1 ILE 65 1HG1 ILE 65 -5.893 -3.094 -5.150 479 2HG1 ILE 65 2HG1 ILE 65 -6.060 -3.160 -6.921 480 1HG2 ILE 65 1HG2 ILE 65 -3.530 -0.301 -5.017 481 2HG2 ILE 65 2HG2 ILE 65 -4.765 -1.192 -4.097 482 3HG2 ILE 65 3HG2 ILE 65 -3.309 -2.034 -4.678 483 1HD1 ILE 65 1HD1 ILE 65 -4.425 -4.708 -7.012 484 2HD1 ILE 65 2HD1 ILE 65 -3.290 -3.543 -6.288 485 3HD1 ILE 65 3HD1 ILE 65 -4.243 -4.625 -5.243 486 H THR 66 H THR 66 -8.311 -1.225 -5.997 487 HA THR 66 HA THR 66 -8.345 0.173 -3.375 488 HB THR 66 HB THR 66 -10.538 -0.729 -5.277 489 HG1 THR 66 1HG THR 66 -10.731 1.385 -5.638 490 1HG2 THR 66 1HG2 THR 66 -11.827 0.750 -3.416 491 2HG2 THR 66 2HG2 THR 66 -11.674 -1.019 -3.296 492 3HG2 THR 66 3HG2 THR 66 -10.566 0.034 -2.384 493 H LEU 67 H LEU 67 -8.191 -1.020 -1.579 494 HA LEU 67 HA LEU 67 -8.630 -3.938 -1.796 495 1HB LEU 67 1HB LEU 67 -7.530 -2.405 0.577 496 2HB LEU 67 2HB LEU 67 -7.305 -4.122 0.165 497 HG LEU 67 HG LEU 67 -6.391 -1.975 -1.756 498 1HD1 LEU 67 1HD1 LEU 67 -4.452 -1.521 -0.591 499 2HD1 LEU 67 2HD1 LEU 67 -5.532 -1.816 0.793 500 3HD1 LEU 67 3HD1 LEU 67 -4.445 -3.105 0.222 501 1HD2 LEU 67 1HD2 LEU 67 -5.300 -4.733 -1.061 502 2HD2 LEU 67 2HD2 LEU 67 -6.471 -4.422 -2.365 503 3HD2 LEU 67 3HD2 LEU 67 -4.839 -3.715 -2.446 504 H GLN 68 H GLN 68 -10.440 -4.865 -1.042 505 HA GLN 68 HA GLN 68 -12.415 -3.199 0.325 506 1HB GLN 68 1HB GLN 68 -12.425 -6.114 -0.553 507 2HB GLN 68 2HB GLN 68 -13.825 -5.240 0.114 508 1HG GLN 68 1HG GLN 68 -12.317 -4.101 -2.240 509 2HG GLN 68 2HG GLN 68 -13.506 -5.396 -2.495 510 1HE2 GLN 68 1HE2 GLN 68 -13.034 -2.096 -1.210 511 2HE2 GLN 68 2HE2 GLN 68 -14.706 -1.598 -1.358 512 H LYS 69 H LYS 69 -13.686 -4.616 2.128 513 HA LYS 69 HA LYS 69 -12.057 -4.558 4.421 514 1HB LYS 69 1HB LYS 69 -14.574 -6.217 4.029 515 2HB LYS 69 2HB LYS 69 -13.939 -5.553 5.553 516 1HG LYS 69 1HG LYS 69 -14.844 -3.512 5.158 517 2HG LYS 69 2HG LYS 69 -14.290 -3.506 3.466 518 1HD LYS 69 1HD LYS 69 -16.419 -5.472 3.934 519 2HD LYS 69 2HD LYS 69 -16.931 -3.814 4.334 520 1HE LYS 69 1HE LYS 69 -15.411 -4.331 1.781 521 2HE LYS 69 2HE LYS 69 -17.146 -4.706 1.857 522 1HZ LYS 69 1HZ LYS 69 -16.174 -2.116 2.755 523 2HZ LYS 69 2HZ LYS 69 -16.382 -2.400 1.144 524 3HZ LYS 69 3HZ LYS 69 -17.661 -2.533 2.177 525 H TRP 70 H TRP 70 -10.573 -5.922 5.229 526 HA TRP 70 HA TRP 70 -9.308 -7.805 5.526 527 1HB TRP 70 1HB TRP 70 -11.733 -9.319 4.523 528 2HB TRP 70 2HB TRP 70 -10.420 -9.940 5.533 529 HD1 TRP 70 HD TRP 70 -13.832 -8.733 5.771 530 HE1 TRP 70 1HE TRP 70 -14.499 -8.136 8.156 531 HE3 TRP 70 3HE TRP 70 -9.182 -8.626 7.907 532 HZ2 TRP 70 2HZ TRP 70 -13.183 -7.667 10.690 533 HZ3 TRP 70 3HZ TRP 70 -8.929 -8.101 10.305 534 HH2 TRP 70 HH TRP 70 -10.914 -7.620 11.707 535 H GLY 71 H GLY 71 -9.456 -6.369 2.900 536 1HA GLY 71 1HA GLY 71 -9.067 -8.485 0.909 537 2HA GLY 71 2HA GLY 71 -8.957 -6.729 0.649 538 H SER 72 H SER 72 -7.082 -8.794 -0.261 539 HA SER 72 HA SER 72 -4.655 -7.704 1.049 540 1HB SER 72 1HB SER 72 -4.340 -10.496 0.255 541 2HB SER 72 2HB SER 72 -3.959 -9.707 1.804 542 HG SER 72 HG SER 72 -5.640 -10.723 2.512 543 H TRP 73 H TRP 73 -2.713 -7.940 -0.317 544 HA TRP 73 HA TRP 73 -3.406 -8.265 -3.196 545 1HB TRP 73 1HB TRP 73 -3.210 -5.862 -2.397 546 2HB TRP 73 2HB TRP 73 -1.507 -6.199 -2.057 547 HD1 TRP 73 HD TRP 73 -3.110 -7.650 -5.179 548 HE1 TRP 73 1HE TRP 73 -2.132 -6.557 -7.262 549 HE3 TRP 73 3HE TRP 73 -0.383 -3.942 -2.940 550 HZ2 TRP 73 2HZ TRP 73 -0.378 -4.343 -7.891 551 HZ3 TRP 73 3HZ TRP 73 0.927 -2.363 -4.311 552 HH2 TRP 73 HH TRP 73 0.941 -2.550 -6.782 553 H ASN 74 H ASN 74 -2.015 -9.505 -4.354 554 HA ASN 74 HA ASN 74 0.663 -10.049 -3.219 555 1HB ASN 74 1HB ASN 74 0.311 -12.491 -3.658 556 2HB ASN 74 2HB ASN 74 -0.693 -11.848 -2.339 557 1HD2 ASN 74 1HD2 ASN 74 -1.639 -14.130 -3.233 558 2HD2 ASN 74 2HD2 ASN 74 -2.992 -13.927 -4.326 559 HA PRO 75 HA PRO 75 0.581 -9.285 -7.793 560 1HB PRO 75 1HB PRO 75 2.489 -7.341 -7.839 561 2HB PRO 75 2HB PRO 75 0.792 -6.989 -7.375 562 1HG PRO 75 1HG PRO 75 3.121 -7.571 -5.523 563 2HG PRO 75 2HG PRO 75 1.995 -6.177 -5.450 564 1HD PRO 75 1HD PRO 75 1.602 -8.402 -3.927 565 2HD PRO 75 2HD PRO 75 0.215 -7.570 -4.692 566 H GLY 76 H GLY 76 3.803 -8.402 -6.644 567 1HA GLY 76 1HA GLY 76 5.146 -10.773 -6.396 568 2HA GLY 76 2HA GLY 76 4.977 -10.590 -8.157 569 H HIS 77 H HIS 77 5.802 -8.544 -5.293 570 HA HIS 77 HA HIS 77 7.530 -7.081 -4.950 571 1HB HIS 77 1HB HIS 77 8.965 -8.950 -5.627 572 2HB HIS 77 2HB HIS 77 8.741 -8.524 -7.333 573 HD1 HIS 77 1HD HIS 77 9.351 -5.500 -7.392 574 HD2 HIS 77 2HD HIS 77 11.401 -8.313 -5.008 575 HE1 HIS 77 1HE HIS 77 11.638 -4.466 -6.841 576 HE2 HIS 77 2HE HIS 77 12.874 -6.184 -5.394 577 H ILE 78 H ILE 78 6.405 -5.192 -5.383 578 HA ILE 78 HA ILE 78 6.178 -4.291 -8.175 579 HB ILE 78 HB ILE 78 5.282 -3.020 -5.558 580 1HG1 ILE 78 1HG1 ILE 78 4.322 -5.330 -6.653 581 2HG1 ILE 78 2HG1 ILE 78 3.315 -4.174 -5.749 582 1HG2 ILE 78 1HG2 ILE 78 5.547 -1.348 -7.304 583 2HG2 ILE 78 2HG2 ILE 78 4.718 -2.391 -8.485 584 3HG2 ILE 78 3HG2 ILE 78 3.811 -1.695 -7.121 585 1HD1 ILE 78 1HD1 ILE 78 2.450 -4.907 -8.067 586 2HD1 ILE 78 2HD1 ILE 78 2.504 -3.157 -7.746 587 3HD1 ILE 78 3HD1 ILE 78 3.768 -3.919 -8.741 588 H HIS 79 H HIS 79 7.081 -2.315 -8.934 589 HA HIS 79 HA HIS 79 9.750 -1.860 -8.375 590 1HB HIS 79 1HB HIS 79 8.922 -0.896 -10.332 591 2HB HIS 79 2HB HIS 79 7.540 -0.155 -9.503 592 HD1 HIS 79 1HD HIS 79 11.344 0.265 -8.787 593 HD2 HIS 79 2HD HIS 79 7.840 2.412 -9.745 594 HE1 HIS 79 1HE HIS 79 11.977 2.756 -8.754 595 HE2 HIS 79 2HE HIS 79 9.841 4.049 -9.336 596 H GLU 80 H GLU 80 7.314 0.629 -7.486 597 HA GLU 80 HA GLU 80 8.172 0.645 -4.708 598 1HB GLU 80 1HB GLU 80 10.041 1.839 -5.872 599 2HB GLU 80 2HB GLU 80 8.859 3.026 -6.474 600 1HG GLU 80 1HG GLU 80 8.199 3.092 -3.870 601 2HG GLU 80 2HG GLU 80 9.893 2.586 -3.695 602 H ILE 81 H ILE 81 6.804 1.923 -3.395 603 HA ILE 81 HA ILE 81 4.196 2.429 -4.599 604 HB ILE 81 HB ILE 81 5.289 2.705 -1.774 605 1HG1 ILE 81 1HG1 ILE 81 5.112 0.393 -2.655 606 2HG1 ILE 81 2HG1 ILE 81 3.907 0.693 -1.380 607 1HG2 ILE 81 1HG2 ILE 81 3.422 4.293 -2.234 608 2HG2 ILE 81 2HG2 ILE 81 2.426 2.930 -2.797 609 3HG2 ILE 81 3HG2 ILE 81 2.946 3.009 -1.097 610 1HD1 ILE 81 1HD1 ILE 81 3.510 0.056 -4.221 611 2HD1 ILE 81 2HD1 ILE 81 2.362 -0.043 -2.864 612 3HD1 ILE 81 3HD1 ILE 81 2.606 1.502 -3.714 613 H LEU 82 H LEU 82 3.254 4.393 -5.000 614 HA LEU 82 HA LEU 82 5.069 6.708 -4.990 615 1HB LEU 82 1HB LEU 82 2.243 6.370 -6.072 616 2HB LEU 82 2HB LEU 82 3.325 7.752 -6.368 617 HG LEU 82 HG LEU 82 3.497 4.928 -7.406 618 1HD1 LEU 82 1HD1 LEU 82 4.524 6.604 -9.292 619 2HD1 LEU 82 2HD1 LEU 82 2.787 6.248 -9.139 620 3HD1 LEU 82 3HD1 LEU 82 3.458 7.731 -8.419 621 1HD2 LEU 82 1HD2 LEU 82 5.620 5.343 -6.156 622 2HD2 LEU 82 2HD2 LEU 82 5.878 5.239 -7.914 623 3HD2 LEU 82 3HD2 LEU 82 5.864 6.826 -7.109 624 H SER 83 H SER 83 1.609 6.173 -4.090 625 HA SER 83 HA SER 83 2.092 7.659 -1.586 626 1HB SER 83 1HB SER 83 1.419 9.286 -3.428 627 2HB SER 83 2HB SER 83 -0.144 8.436 -3.489 628 HG SER 83 HG SER 83 0.823 9.221 -0.993 629 H ILE 84 H ILE 84 -0.008 7.638 -0.237 630 HA ILE 84 HA ILE 84 -1.561 5.163 -0.787 631 HB ILE 84 HB ILE 84 -0.036 5.937 1.712 632 1HG1 ILE 84 1HG1 ILE 84 -0.363 3.280 0.262 633 2HG1 ILE 84 2HG1 ILE 84 0.948 4.434 -0.082 634 1HG2 ILE 84 1HG2 ILE 84 -1.442 3.718 2.452 635 2HG2 ILE 84 2HG2 ILE 84 -1.949 5.380 2.838 636 3HG2 ILE 84 3HG2 ILE 84 -2.651 4.539 1.435 637 1HD1 ILE 84 1HD1 ILE 84 1.272 4.342 2.557 638 2HD1 ILE 84 2HD1 ILE 84 0.456 2.770 2.379 639 3HD1 ILE 84 3HD1 ILE 84 1.977 3.086 1.511 640 H ARG 85 H ARG 85 -3.713 5.438 -0.563 641 HA ARG 85 HA ARG 85 -4.623 7.882 0.885 642 1HB ARG 85 1HB ARG 85 -4.932 8.205 -1.496 643 2HB ARG 85 2HB ARG 85 -5.683 6.600 -1.662 644 1HG ARG 85 1HG ARG 85 -7.485 7.355 -0.068 645 2HG ARG 85 2HG ARG 85 -6.775 8.986 -0.114 646 1HD ARG 85 1HD ARG 85 -7.120 7.921 -2.803 647 2HD ARG 85 2HD ARG 85 -8.657 7.895 -1.913 648 HE ARG 85 HE ARG 85 -8.663 10.231 -1.851 649 1HH1 ARG 85 1HH1 ARG 85 -6.355 12.414 -3.386 650 2HH1 ARG 85 2HH1 ARG 85 -7.917 12.283 -2.608 651 1HH2 ARG 85 1HH2 ARG 85 -5.033 10.526 -3.658 652 2HH2 ARG 85 2HH2 ARG 85 -5.598 8.972 -3.086 653 H ILE 86 H ILE 86 -6.052 7.550 2.496 654 HA ILE 86 HA ILE 86 -7.281 4.839 2.674 655 HB ILE 86 HB ILE 86 -6.637 6.741 4.955 656 1HG1 ILE 86 1HG1 ILE 86 -5.090 4.258 4.123 657 2HG1 ILE 86 2HG1 ILE 86 -4.615 5.901 3.629 658 1HG2 ILE 86 1HG2 ILE 86 -8.029 4.177 4.649 659 2HG2 ILE 86 2HG2 ILE 86 -6.689 4.081 5.817 660 3HG2 ILE 86 3HG2 ILE 86 -7.982 5.282 6.043 661 1HD1 ILE 86 1HD1 ILE 86 -4.935 4.902 6.492 662 2HD1 ILE 86 2HD1 ILE 86 -3.398 5.248 5.663 663 3HD1 ILE 86 3HD1 ILE 86 -4.530 6.572 6.028 664 H TYR 87 H TYR 87 -9.469 4.706 2.859 665 HA TYR 87 HA TYR 87 -10.976 7.195 2.520 666 1HB TYR 87 1HB TYR 87 -11.691 4.250 2.530 667 2HB TYR 87 2HB TYR 87 -12.905 5.534 2.394 668 HD1 TYR 87 1HD TYR 87 -13.649 5.947 0.251 669 HD2 TYR 87 2HD TYR 87 -9.570 4.731 0.836 670 HE1 TYR 87 1HE TYR 87 -13.267 6.047 -2.197 671 HE2 TYR 87 2HE TYR 87 -9.189 4.832 -1.612 672 HH TYR 87 HH TYR 87 -10.734 6.375 -3.713 Start of MODEL 10 1 H MET 1 H MET 1 -5.289 12.012 10.251 2 HA MET 1 HA MET 1 -3.805 12.421 8.458 3 1HB MET 1 1HB MET 1 -2.094 13.276 10.764 4 2HB MET 1 2HB MET 1 -1.276 12.739 9.277 5 1HG MET 1 1HG MET 1 -3.576 14.686 9.145 6 2HG MET 1 2HG MET 1 -1.950 15.259 9.553 7 1HE MET 1 1HE MET 1 -0.648 16.337 7.984 8 2HE MET 1 2HE MET 1 -0.948 16.392 6.230 9 3HE MET 1 3HE MET 1 -2.199 16.954 7.364 10 H ILE 2 H ILE 2 -1.865 11.133 7.590 11 HA ILE 2 HA ILE 2 -2.180 8.371 8.551 12 HB ILE 2 HB ILE 2 -2.377 8.702 6.175 13 1HG1 ILE 2 1HG1 ILE 2 0.444 7.673 6.676 14 2HG1 ILE 2 2HG1 ILE 2 -1.021 6.733 7.048 15 1HG2 ILE 2 1HG2 ILE 2 -1.323 10.801 5.807 16 2HG2 ILE 2 2HG2 ILE 2 0.207 10.253 6.532 17 3HG2 ILE 2 3HG2 ILE 2 -0.299 9.629 4.944 18 1HD1 ILE 2 1HD1 ILE 2 -0.367 6.044 4.856 19 2HD1 ILE 2 2HD1 ILE 2 -1.728 7.166 4.612 20 3HD1 ILE 2 3HD1 ILE 2 -0.058 7.719 4.341 21 H ASN 3 H ASN 3 -0.650 7.233 9.636 22 HA ASN 3 HA ASN 3 2.091 8.348 9.770 23 1HB ASN 3 1HB ASN 3 0.141 8.522 11.858 24 2HB ASN 3 2HB ASN 3 1.370 7.339 12.353 25 1HD2 ASN 3 1HD2 ASN 3 2.716 8.380 13.733 26 2HD2 ASN 3 2HD2 ASN 3 3.485 9.920 13.415 27 H ARG 4 H ARG 4 3.690 6.799 9.971 28 HA ARG 4 HA ARG 4 2.920 4.097 9.274 29 1HB ARG 4 1HB ARG 4 5.191 5.716 9.005 30 2HB ARG 4 2HB ARG 4 5.683 4.449 10.155 31 1HG ARG 4 1HG ARG 4 4.750 2.733 8.564 32 2HG ARG 4 2HG ARG 4 4.457 4.042 7.395 33 1HD ARG 4 1HD ARG 4 6.564 3.252 6.742 34 2HD ARG 4 2HD ARG 4 6.979 4.622 7.794 35 HE ARG 4 HE ARG 4 7.344 1.754 8.376 36 1HH1 ARG 4 1HH1 ARG 4 9.137 2.607 11.291 37 2HH1 ARG 4 2HH1 ARG 4 8.679 1.311 10.209 38 1HH2 ARG 4 1HH2 ARG 4 8.403 4.771 10.886 39 2HH2 ARG 4 2HH2 ARG 4 7.392 5.106 9.498 40 H THR 5 H THR 5 2.129 2.696 10.730 41 HA THR 5 HA THR 5 3.269 2.802 13.485 42 HB THR 5 HB THR 5 0.974 3.393 13.645 43 HG1 THR 5 1HG THR 5 0.573 1.902 15.053 44 1HG2 THR 5 1HG2 THR 5 -0.808 2.056 12.512 45 2HG2 THR 5 2HG2 THR 5 0.307 2.821 11.354 46 3HG2 THR 5 3HG2 THR 5 0.457 1.086 11.720 47 H ASP 6 H ASP 6 3.664 0.791 14.538 48 HA ASP 6 HA ASP 6 4.369 -1.340 12.636 49 1HB ASP 6 1HB ASP 6 5.345 -0.341 15.166 50 2HB ASP 6 2HB ASP 6 4.980 -2.074 15.307 51 H CYS 7 H CYS 7 1.557 -0.859 13.019 52 HA CYS 7 HA CYS 7 -0.353 -2.078 13.339 53 1HB CYS 7 1HB CYS 7 1.734 -4.239 13.670 54 2HB CYS 7 2HB CYS 7 0.005 -4.579 13.847 55 H ASN 8 H ASN 8 -1.409 -1.304 15.085 56 HA ASN 8 HA ASN 8 -0.323 -1.894 17.773 57 1HB ASN 8 1HB ASN 8 -2.308 -0.316 18.378 58 2HB ASN 8 2HB ASN 8 -0.863 0.374 17.607 59 1HD2 ASN 8 1HD2 ASN 8 -0.914 0.705 15.237 60 2HD2 ASN 8 2HD2 ASN 8 -2.445 1.068 14.469 61 H GLU 9 H GLU 9 -3.499 -1.986 16.051 62 HA GLU 9 HA GLU 9 -4.373 -4.064 17.976 63 1HB GLU 9 1HB GLU 9 -5.891 -2.197 17.738 64 2HB GLU 9 2HB GLU 9 -5.860 -2.335 15.964 65 1HG GLU 9 1HG GLU 9 -7.597 -3.758 16.092 66 2HG GLU 9 2HG GLU 9 -6.541 -4.907 16.942 67 H ASN 10 H ASN 10 -5.782 -3.791 14.781 68 HA ASN 10 HA ASN 10 -4.360 -5.440 13.161 69 1HB ASN 10 1HB ASN 10 -4.094 -7.173 14.746 70 2HB ASN 10 2HB ASN 10 -5.778 -7.047 15.297 71 1HD2 ASN 10 1HD2 ASN 10 -6.178 -9.280 14.918 72 2HD2 ASN 10 2HD2 ASN 10 -6.355 -9.915 13.296 73 H SER 11 H SER 11 -5.789 -3.758 12.123 74 HA SER 11 HA SER 11 -7.859 -5.004 10.669 75 1HB SER 11 1HB SER 11 -9.857 -4.042 11.608 76 2HB SER 11 2HB SER 11 -8.999 -4.876 12.926 77 HG SER 11 HG SER 11 -8.697 -2.117 12.346 78 H TYR 12 H TYR 12 -5.780 -3.626 9.764 79 HA TYR 12 HA TYR 12 -7.046 -1.204 8.662 80 1HB TYR 12 1HB TYR 12 -4.467 -0.338 9.099 81 2HB TYR 12 2HB TYR 12 -5.888 0.125 10.049 82 HD1 TYR 12 1HD TYR 12 -5.956 -0.308 12.343 83 HD2 TYR 12 2HD TYR 12 -3.182 -2.462 9.870 84 HE1 TYR 12 1HE TYR 12 -4.929 -1.308 14.366 85 HE2 TYR 12 2HE TYR 12 -2.155 -3.462 11.894 86 HH TYR 12 HH TYR 12 -2.132 -2.525 14.673 87 H LEU 13 H LEU 13 -4.863 -0.221 7.260 88 HA LEU 13 HA LEU 13 -4.494 -2.388 5.296 89 1HB LEU 13 1HB LEU 13 -5.186 -0.450 4.208 90 2HB LEU 13 2HB LEU 13 -4.269 0.616 5.300 91 HG LEU 13 HG LEU 13 -2.225 -0.819 4.224 92 1HD1 LEU 13 1HD1 LEU 13 -2.833 -0.769 1.681 93 2HD1 LEU 13 2HD1 LEU 13 -3.396 -2.142 2.664 94 3HD1 LEU 13 3HD1 LEU 13 -4.519 -0.825 2.249 95 1HD2 LEU 13 1HD2 LEU 13 -2.479 1.183 2.361 96 2HD2 LEU 13 2HD2 LEU 13 -3.558 1.770 3.650 97 3HD2 LEU 13 3HD2 LEU 13 -1.850 1.421 4.009 98 H GLU 14 H GLU 14 -2.557 -3.330 4.821 99 HA GLU 14 HA GLU 14 -0.114 -2.175 6.032 100 1HB GLU 14 1HB GLU 14 -1.102 -5.028 6.406 101 2HB GLU 14 2HB GLU 14 0.529 -4.455 6.833 102 1HG GLU 14 1HG GLU 14 -0.212 -3.294 8.659 103 2HG GLU 14 2HG GLU 14 -1.732 -2.820 7.870 104 H ILE 15 H ILE 15 1.739 -2.531 4.838 105 HA ILE 15 HA ILE 15 1.435 -4.214 2.401 106 HB ILE 15 HB ILE 15 2.794 -1.496 2.536 107 1HG1 ILE 15 1HG1 ILE 15 0.257 -2.094 1.014 108 2HG1 ILE 15 2HG1 ILE 15 0.168 -1.689 2.745 109 1HG2 ILE 15 1HG2 ILE 15 3.812 -2.521 0.741 110 2HG2 ILE 15 2HG2 ILE 15 2.468 -3.662 0.496 111 3HG2 ILE 15 3HG2 ILE 15 2.325 -1.983 -0.076 112 1HD1 ILE 15 1HD1 ILE 15 0.306 0.488 2.166 113 2HD1 ILE 15 2HD1 ILE 15 1.973 0.176 1.623 114 3HD1 ILE 15 3HD1 ILE 15 0.624 0.064 0.466 115 H HIS 16 H HIS 16 2.973 -5.734 2.299 116 HA HIS 16 HA HIS 16 5.541 -5.192 3.715 117 1HB HIS 16 1HB HIS 16 5.640 -7.562 4.242 118 2HB HIS 16 2HB HIS 16 4.127 -6.873 4.858 119 HD1 HIS 16 1HD HIS 16 5.408 -9.508 2.473 120 HD2 HIS 16 2HD HIS 16 1.828 -7.501 3.453 121 HE1 HIS 16 1HE HIS 16 3.495 -10.856 1.410 122 HE2 HIS 16 2HE HIS 16 1.327 -9.627 2.012 123 H ASN 17 H ASN 17 6.924 -4.656 2.095 124 HA ASN 17 HA ASN 17 6.822 -6.253 -0.403 125 1HB ASN 17 1HB ASN 17 8.387 -4.447 -1.220 126 2HB ASN 17 2HB ASN 17 6.763 -3.882 -0.772 127 1HD2 ASN 17 1HD2 ASN 17 8.558 -1.924 -0.865 128 2HD2 ASN 17 2HD2 ASN 17 9.098 -1.444 0.730 129 H ASN 18 H ASN 18 9.337 -6.178 -1.334 130 HA ASN 18 HA ASN 18 11.364 -7.228 -1.193 131 1HB ASN 18 1HB ASN 18 11.026 -5.990 1.520 132 2HB ASN 18 2HB ASN 18 12.363 -7.134 1.271 133 1HD2 ASN 18 1HD2 ASN 18 11.676 -3.928 1.303 134 2HD2 ASN 18 2HD2 ASN 18 12.832 -3.341 0.127 135 H GLU 19 H GLU 19 9.086 -8.866 -1.112 136 HA GLU 19 HA GLU 19 8.483 -11.025 -0.654 137 1HB GLU 19 1HB GLU 19 11.418 -11.076 0.097 138 2HB GLU 19 2HB GLU 19 10.390 -12.523 0.215 139 1HG GLU 19 1HG GLU 19 9.753 -12.223 -2.181 140 2HG GLU 19 2HG GLU 19 10.868 -10.843 -2.280 141 H GLY 20 H GLY 20 8.373 -8.785 1.427 142 1HA GLY 20 1HA GLY 20 7.231 -8.807 3.473 143 2HA GLY 20 2HA GLY 20 7.575 -10.543 3.645 144 H ARG 21 H ARG 21 9.794 -7.786 3.006 145 HA ARG 21 HA ARG 21 11.443 -8.700 5.285 146 1HB ARG 21 1HB ARG 21 12.399 -8.310 2.962 147 2HB ARG 21 2HB ARG 21 12.070 -6.577 3.204 148 1HG ARG 21 1HG ARG 21 13.510 -7.991 5.410 149 2HG ARG 21 2HG ARG 21 14.418 -7.729 3.902 150 1HD ARG 21 1HD ARG 21 13.596 -5.295 4.019 151 2HD ARG 21 2HD ARG 21 13.096 -5.657 5.685 152 HE ARG 21 HE ARG 21 15.817 -5.294 4.694 153 1HH1 ARG 21 1HH1 ARG 21 17.143 -5.982 7.889 154 2HH1 ARG 21 2HH1 ARG 21 17.485 -5.356 6.292 155 1HH2 ARG 21 1HH2 ARG 21 15.014 -6.749 8.404 156 2HH2 ARG 21 2HH2 ARG 21 13.751 -6.702 7.194 157 H ASP 22 H ASP 22 9.808 -5.779 3.983 158 HA ASP 22 HA ASP 22 9.861 -4.678 6.748 159 1HB ASP 22 1HB ASP 22 10.527 -3.315 4.124 160 2HB ASP 22 2HB ASP 22 10.040 -2.405 5.571 161 H THR 23 H THR 23 7.826 -4.493 7.467 162 HA THR 23 HA THR 23 5.667 -4.168 5.452 163 HB THR 23 HB THR 23 5.561 -5.012 8.375 164 HG1 THR 23 1HG THR 23 6.497 -6.597 7.131 165 1HG2 THR 23 1HG2 THR 23 3.540 -4.283 6.345 166 2HG2 THR 23 2HG2 THR 23 3.261 -5.870 7.099 167 3HG2 THR 23 3HG2 THR 23 3.383 -4.412 8.113 168 H LEU 24 H LEU 24 3.955 -2.636 5.867 169 HA LEU 24 HA LEU 24 4.674 -0.482 7.782 170 1HB LEU 24 1HB LEU 24 3.636 0.129 5.009 171 2HB LEU 24 2HB LEU 24 4.461 1.207 6.160 172 HG LEU 24 HG LEU 24 6.256 -0.927 5.731 173 1HD1 LEU 24 1HD1 LEU 24 5.199 0.122 3.076 174 2HD1 LEU 24 2HD1 LEU 24 6.471 -1.097 3.329 175 3HD1 LEU 24 3HD1 LEU 24 4.782 -1.475 3.740 176 1HD2 LEU 24 1HD2 LEU 24 6.906 1.390 6.087 177 2HD2 LEU 24 2HD2 LEU 24 7.551 0.863 4.515 178 3HD2 LEU 24 3HD2 LEU 24 6.100 1.890 4.581 179 H CYS 25 H CYS 25 3.019 -0.343 9.170 180 HA CYS 25 HA CYS 25 0.316 -1.101 8.243 181 1HB CYS 25 1HB CYS 25 1.075 -0.320 11.051 182 2HB CYS 25 2HB CYS 25 -0.218 -1.398 10.501 183 H PHE 26 H PHE 26 -1.058 0.433 7.575 184 HA PHE 26 HA PHE 26 -0.595 3.212 8.548 185 1HB PHE 26 1HB PHE 26 -1.829 2.128 5.997 186 2HB PHE 26 2HB PHE 26 -1.887 3.834 6.474 187 HD1 PHE 26 1HD PHE 26 -0.051 1.349 4.712 188 HD2 PHE 26 2HD PHE 26 0.420 4.967 6.980 189 HE1 PHE 26 1HE PHE 26 2.170 1.714 3.670 190 HE2 PHE 26 2HE PHE 26 2.641 5.331 5.938 191 HZ PHE 26 HZ PHE 26 3.516 3.705 4.283 192 H ALA 27 H ALA 27 -2.368 4.437 9.263 193 HA ALA 27 HA ALA 27 -4.946 2.991 9.524 194 1HB ALA 27 1HB ALA 27 -3.233 4.151 11.732 195 2HB ALA 27 2HB ALA 27 -4.998 4.012 11.909 196 3HB ALA 27 3HB ALA 27 -4.013 2.554 11.644 197 H ASN 28 H ASN 28 -6.633 4.624 10.484 198 HA ASN 28 HA ASN 28 -7.796 6.577 10.214 199 1HB ASN 28 1HB ASN 28 -4.946 7.559 10.106 200 2HB ASN 28 2HB ASN 28 -6.291 8.675 9.788 201 1HD2 ASN 28 1HD2 ASN 28 -5.734 9.870 11.711 202 2HD2 ASN 28 2HD2 ASN 28 -6.169 9.263 13.294 203 H ALA 29 H ALA 29 -8.806 7.731 8.550 204 HA ALA 29 HA ALA 29 -8.476 6.675 5.930 205 1HB ALA 29 1HB ALA 29 -10.089 8.459 5.299 206 2HB ALA 29 2HB ALA 29 -10.604 7.571 6.753 207 3HB ALA 29 3HB ALA 29 -9.884 9.191 6.908 208 H GLY 30 H GLY 30 -6.609 8.926 7.652 209 1HA GLY 30 1HA GLY 30 -5.908 10.993 6.060 210 2HA GLY 30 2HA GLY 30 -4.690 10.010 6.904 211 H THR 31 H THR 31 -4.339 11.369 4.356 212 HA THR 31 HA THR 31 -3.651 8.989 2.734 213 HB THR 31 HB THR 31 -5.215 11.416 1.783 214 HG1 THR 31 1HG THR 31 -6.751 9.935 1.385 215 1HG2 THR 31 1HG2 THR 31 -3.421 10.901 0.181 216 2HG2 THR 31 2HG2 THR 31 -3.874 9.180 0.203 217 3HG2 THR 31 3HG2 THR 31 -4.993 10.386 -0.477 218 H MET 32 H MET 32 -1.519 9.073 2.385 219 HA MET 32 HA MET 32 -0.312 11.690 1.708 220 1HB MET 32 1HB MET 32 1.425 11.487 3.320 221 2HB MET 32 2HB MET 32 -0.081 11.158 4.209 222 1HG MET 32 1HG MET 32 0.279 8.740 3.941 223 2HG MET 32 2HG MET 32 1.760 9.050 3.020 224 1HE MET 32 1HE MET 32 1.930 7.117 4.662 225 2HE MET 32 2HE MET 32 3.439 7.437 5.549 226 3HE MET 32 3HE MET 32 1.905 7.267 6.435 227 HA PRO 33 HA PRO 33 1.827 9.301 -1.288 228 1HB PRO 33 1HB PRO 33 4.101 10.756 -1.659 229 2HB PRO 33 2HB PRO 33 2.483 11.408 -2.077 230 1HG PRO 33 1HG PRO 33 4.036 11.852 0.489 231 2HG PRO 33 2HG PRO 33 3.310 13.101 -0.574 232 1HD PRO 33 1HD PRO 33 2.000 12.172 1.627 233 2HD PRO 33 2HD PRO 33 1.107 12.498 0.110 234 H VAL 34 H VAL 34 2.924 7.419 -1.116 235 HA VAL 34 HA VAL 34 5.114 7.266 0.896 236 HB VAL 34 HB VAL 34 4.312 5.213 1.724 237 1HG1 VAL 34 1HG1 VAL 34 2.806 7.414 2.020 238 2HG1 VAL 34 2HG1 VAL 34 1.619 6.410 1.154 239 3HG1 VAL 34 3HG1 VAL 34 2.308 5.844 2.694 240 1HG2 VAL 34 1HG2 VAL 34 2.702 3.815 0.627 241 2HG2 VAL 34 2HG2 VAL 34 2.237 5.115 -0.496 242 3HG2 VAL 34 3HG2 VAL 34 3.836 4.346 -0.638 243 H ALA 35 H ALA 35 6.629 5.448 0.454 244 HA ALA 35 HA ALA 35 6.711 4.782 -2.449 245 1HB ALA 35 1HB ALA 35 8.809 5.618 -2.665 246 2HB ALA 35 2HB ALA 35 8.397 6.571 -1.219 247 3HB ALA 35 3HB ALA 35 9.304 5.049 -1.052 248 H ILE 36 H ILE 36 6.347 2.644 -2.578 249 HA ILE 36 HA ILE 36 7.843 0.896 -0.687 250 HB ILE 36 HB ILE 36 4.939 0.772 -1.548 251 1HG1 ILE 36 1HG1 ILE 36 5.692 0.095 1.204 252 2HG1 ILE 36 2HG1 ILE 36 6.259 1.716 0.735 253 1HG2 ILE 36 1HG2 ILE 36 6.214 -1.432 -1.888 254 2HG2 ILE 36 2HG2 ILE 36 6.467 -1.437 -0.127 255 3HG2 ILE 36 3HG2 ILE 36 4.816 -1.493 -0.788 256 1HD1 ILE 36 1HD1 ILE 36 3.459 0.654 0.958 257 2HD1 ILE 36 2HD1 ILE 36 4.109 2.249 1.407 258 3HD1 ILE 36 3HD1 ILE 36 3.792 1.866 -0.302 259 H TYR 37 H TYR 37 9.366 -0.077 -1.897 260 HA TYR 37 HA TYR 37 8.668 -0.809 -4.691 261 1HB TYR 37 1HB TYR 37 11.381 -0.761 -3.336 262 2HB TYR 37 2HB TYR 37 11.048 -0.921 -5.068 263 HD1 TYR 37 1HD TYR 37 10.742 1.420 -2.174 264 HD2 TYR 37 2HD TYR 37 10.844 0.980 -6.445 265 HE1 TYR 37 1HE TYR 37 10.866 3.884 -2.425 266 HE2 TYR 37 2HE TYR 37 10.967 3.444 -6.697 267 HH TYR 37 HH TYR 37 10.136 5.606 -4.647 268 H GLY 38 H GLY 38 8.738 -2.923 -5.391 269 1HA GLY 38 1HA GLY 38 8.977 -5.219 -5.272 270 2HA GLY 38 2HA GLY 38 9.880 -5.027 -3.752 271 H VAL 39 H VAL 39 6.529 -4.396 -4.957 272 HA VAL 39 HA VAL 39 5.426 -5.063 -2.340 273 HB VAL 39 HB VAL 39 4.068 -4.479 -5.001 274 1HG1 VAL 39 1HG1 VAL 39 3.127 -5.235 -2.322 275 2HG1 VAL 39 2HG1 VAL 39 2.439 -3.690 -2.876 276 3HG1 VAL 39 3HG1 VAL 39 2.234 -5.160 -3.859 277 1HG2 VAL 39 1HG2 VAL 39 5.579 -2.660 -4.110 278 2HG2 VAL 39 2HG2 VAL 39 3.861 -2.200 -4.187 279 3HG2 VAL 39 3HG2 VAL 39 4.594 -2.644 -2.627 280 H ASN 40 H ASN 40 5.169 -7.116 -1.699 281 HA ASN 40 HA ASN 40 4.799 -9.197 -3.782 282 1HB ASN 40 1HB ASN 40 5.817 -9.163 -0.944 283 2HB ASN 40 2HB ASN 40 5.199 -10.672 -1.651 284 1HD2 ASN 40 1HD2 ASN 40 7.106 -7.919 -3.004 285 2HD2 ASN 40 2HD2 ASN 40 8.429 -8.904 -3.591 286 H TRP 41 H TRP 41 3.373 -7.797 -0.822 287 HA TRP 41 HA TRP 41 0.738 -8.675 -1.654 288 1HB TRP 41 1HB TRP 41 1.534 -10.753 -0.681 289 2HB TRP 41 2HB TRP 41 2.066 -9.906 0.778 290 HD1 TRP 41 HD TRP 41 -0.209 -8.443 1.903 291 HE1 TRP 41 1HE TRP 41 -2.448 -9.464 2.559 292 HE3 TRP 41 3HE TRP 41 -0.067 -12.643 -1.018 293 HZ2 TRP 41 2HZ TRP 41 -3.999 -11.818 1.902 294 HZ3 TRP 41 3HZ TRP 41 -1.940 -14.248 -0.977 295 HH2 TRP 41 HH TRP 41 -3.909 -13.852 0.474 296 H VAL 42 H VAL 42 -0.933 -7.668 -0.422 297 HA VAL 42 HA VAL 42 -0.011 -5.737 1.633 298 HB VAL 42 HB VAL 42 -1.560 -5.140 -0.906 299 1HG1 VAL 42 1HG1 VAL 42 -1.415 -3.612 1.719 300 2HG1 VAL 42 2HG1 VAL 42 -1.820 -2.828 0.173 301 3HG1 VAL 42 3HG1 VAL 42 -2.867 -4.114 0.820 302 1HG2 VAL 42 1HG2 VAL 42 1.134 -4.745 0.043 303 2HG2 VAL 42 2HG2 VAL 42 0.428 -4.277 -1.523 304 3HG2 VAL 42 3HG2 VAL 42 0.352 -3.156 -0.141 305 H GLU 43 H GLU 43 -1.337 -5.668 3.371 306 HA GLU 43 HA GLU 43 -3.744 -7.358 3.287 307 1HB GLU 43 1HB GLU 43 -2.067 -6.067 5.440 308 2HB GLU 43 2HB GLU 43 -3.703 -6.663 5.807 309 1HG GLU 43 1HG GLU 43 -2.677 -8.765 4.372 310 2HG GLU 43 2HG GLU 43 -1.220 -8.168 5.195 311 H SER 44 H SER 44 -5.793 -6.578 4.192 312 HA SER 44 HA SER 44 -6.181 -3.687 4.353 313 1HB SER 44 1HB SER 44 -7.725 -5.219 2.242 314 2HB SER 44 2HB SER 44 -7.635 -3.459 2.491 315 HG SER 44 HG SER 44 -5.650 -5.219 1.514 316 H GLY 45 H GLY 45 -6.771 -4.366 6.515 317 1HA GLY 45 1HA GLY 45 -8.613 -6.286 7.255 318 2HA GLY 45 2HA GLY 45 -8.426 -4.722 8.079 319 H ASN 46 H ASN 46 -10.838 -5.212 8.422 320 HA ASN 46 HA ASN 46 -12.645 -5.020 6.218 321 1HB ASN 46 1HB ASN 46 -13.318 -5.975 8.348 322 2HB ASN 46 2HB ASN 46 -12.972 -4.446 9.185 323 1HD2 ASN 46 1HD2 ASN 46 -14.740 -3.278 9.653 324 2HD2 ASN 46 2HD2 ASN 46 -16.204 -3.214 8.696 325 H ASN 47 H ASN 47 -11.023 -3.142 5.404 326 HA ASN 47 HA ASN 47 -12.602 -0.689 5.718 327 1HB ASN 47 1HB ASN 47 -10.309 0.547 6.014 328 2HB ASN 47 2HB ASN 47 -11.123 -0.148 7.432 329 1HD2 ASN 47 1HD2 ASN 47 -8.590 -0.749 4.969 330 2HD2 ASN 47 2HD2 ASN 47 -7.634 -1.835 5.954 331 H VAL 48 H VAL 48 -12.560 0.572 3.885 332 HA VAL 48 HA VAL 48 -11.200 -0.635 1.566 333 HB VAL 48 HB VAL 48 -13.099 1.735 1.646 334 1HG1 VAL 48 1HG1 VAL 48 -12.918 1.673 -0.604 335 2HG1 VAL 48 2HG1 VAL 48 -11.560 0.541 -0.394 336 3HG1 VAL 48 3HG1 VAL 48 -13.210 -0.082 -0.632 337 1HG2 VAL 48 1HG2 VAL 48 -13.570 -1.102 2.191 338 2HG2 VAL 48 2HG2 VAL 48 -14.685 0.278 2.334 339 3HG2 VAL 48 3HG2 VAL 48 -14.483 -0.544 0.768 340 H VAL 49 H VAL 49 -9.249 0.062 0.946 341 HA VAL 49 HA VAL 49 -8.615 2.940 1.314 342 HB VAL 49 HB VAL 49 -6.872 0.564 2.069 343 1HG1 VAL 49 1HG1 VAL 49 -5.038 1.947 2.130 344 2HG1 VAL 49 2HG1 VAL 49 -5.937 2.801 0.854 345 3HG1 VAL 49 3HG1 VAL 49 -6.006 3.385 2.534 346 1HG2 VAL 49 1HG2 VAL 49 -8.228 2.819 3.585 347 2HG2 VAL 49 2HG2 VAL 49 -8.366 1.065 3.858 348 3HG2 VAL 49 3HG2 VAL 49 -6.856 1.913 4.268 349 H THR 50 H THR 50 -7.432 3.847 -0.352 350 HA THR 50 HA THR 50 -7.111 2.103 -2.726 351 HB THR 50 HB THR 50 -7.533 5.036 -2.238 352 HG1 THR 50 1HG THR 50 -9.124 3.372 -2.900 353 1HG2 THR 50 1HG2 THR 50 -5.961 5.622 -3.751 354 2HG2 THR 50 2HG2 THR 50 -5.605 3.918 -4.123 355 3HG2 THR 50 3HG2 THR 50 -6.923 4.758 -4.975 356 H LEU 51 H LEU 51 -5.151 1.645 -3.604 357 HA LEU 51 HA LEU 51 -2.787 2.819 -2.222 358 1HB LEU 51 1HB LEU 51 -3.367 0.118 -3.444 359 2HB LEU 51 2HB LEU 51 -1.691 0.694 -3.274 360 HG LEU 51 HG LEU 51 -3.749 0.187 -1.103 361 1HD1 LEU 51 1HD1 LEU 51 -1.189 -0.679 -0.358 362 2HD1 LEU 51 2HD1 LEU 51 -2.506 -1.699 -0.985 363 3HD1 LEU 51 3HD1 LEU 51 -1.282 -1.042 -2.098 364 1HD2 LEU 51 1HD2 LEU 51 -2.949 2.299 -0.431 365 2HD2 LEU 51 2HD2 LEU 51 -1.841 1.173 0.390 366 3HD2 LEU 51 3HD2 LEU 51 -1.326 2.002 -1.099 367 H GLN 52 H GLN 52 -1.498 4.125 -3.378 368 HA GLN 52 HA GLN 52 -1.816 4.081 -6.340 369 1HB GLN 52 1HB GLN 52 -1.323 6.271 -4.326 370 2HB GLN 52 2HB GLN 52 -0.767 6.465 -6.006 371 1HG GLN 52 1HG GLN 52 -3.326 5.479 -6.345 372 2HG GLN 52 2HG GLN 52 -3.507 6.497 -4.899 373 1HE2 GLN 52 1HE2 GLN 52 -1.921 6.568 -8.146 374 2HE2 GLN 52 2HE2 GLN 52 -2.307 8.241 -8.485 375 H PHE 53 H PHE 53 -0.197 2.906 -7.208 376 HA PHE 53 HA PHE 53 2.561 3.577 -6.336 377 1HB PHE 53 1HB PHE 53 3.180 1.225 -6.412 378 2HB PHE 53 2HB PHE 53 1.884 1.479 -5.231 379 HD1 PHE 53 1HD PHE 53 -0.383 0.649 -5.650 380 HD2 PHE 53 2HD PHE 53 2.802 -0.042 -8.447 381 HE1 PHE 53 1HE PHE 53 -1.745 -1.096 -6.768 382 HE2 PHE 53 2HE PHE 53 1.441 -1.787 -9.566 383 HZ PHE 53 HZ PHE 53 -0.833 -2.314 -8.727 384 H GLN 54 H GLN 54 4.180 3.164 -7.983 385 HA GLN 54 HA GLN 54 3.000 3.349 -10.701 386 1HB GLN 54 1HB GLN 54 4.719 5.036 -9.515 387 2HB GLN 54 2HB GLN 54 5.897 3.870 -10.163 388 1HG GLN 54 1HG GLN 54 5.158 4.203 -12.399 389 2HG GLN 54 2HG GLN 54 3.664 5.008 -11.871 390 1HE2 GLN 54 1HE2 GLN 54 7.010 5.394 -12.712 391 2HE2 GLN 54 2HE2 GLN 54 7.122 7.118 -12.429 392 H ARG 55 H ARG 55 2.926 1.477 -11.789 393 HA ARG 55 HA ARG 55 4.236 -0.891 -11.077 394 1HB ARG 55 1HB ARG 55 2.352 -0.181 -12.908 395 2HB ARG 55 2HB ARG 55 3.753 -0.436 -13.976 396 1HG ARG 55 1HG ARG 55 2.960 -2.608 -13.865 397 2HG ARG 55 2HG ARG 55 4.043 -2.621 -12.452 398 1HD ARG 55 1HD ARG 55 2.311 -2.951 -11.054 399 2HD ARG 55 2HD ARG 55 1.451 -1.544 -11.718 400 HE ARG 55 HE ARG 55 0.072 -3.017 -12.816 401 1HH1 ARG 55 1HH1 ARG 55 0.622 -6.343 -13.855 402 2HH1 ARG 55 2HH1 ARG 55 -0.534 -5.032 -13.770 403 1HH2 ARG 55 1HH2 ARG 55 2.764 -6.057 -13.009 404 2HH2 ARG 55 2HH2 ARG 55 3.223 -4.531 -12.286 405 H ASN 56 H ASN 56 5.125 1.419 -13.711 406 HA ASN 56 HA ASN 56 7.884 0.301 -13.568 407 1HB ASN 56 1HB ASN 56 6.383 1.672 -15.828 408 2HB ASN 56 2HB ASN 56 8.097 1.209 -15.889 409 1HD2 ASN 56 1HD2 ASN 56 8.661 -0.882 -16.369 410 2HD2 ASN 56 2HD2 ASN 56 7.508 -2.174 -16.625 411 H LEU 57 H LEU 57 9.624 1.689 -13.339 412 HA LEU 57 HA LEU 57 8.968 4.324 -12.244 413 1HB LEU 57 1HB LEU 57 10.616 2.977 -11.084 414 2HB LEU 57 2HB LEU 57 11.568 2.779 -12.575 415 HG LEU 57 HG LEU 57 11.979 5.208 -12.652 416 1HD1 LEU 57 1HD1 LEU 57 11.093 5.858 -9.962 417 2HD1 LEU 57 2HD1 LEU 57 10.698 6.663 -11.499 418 3HD1 LEU 57 3HD1 LEU 57 9.721 5.284 -10.942 419 1HD2 LEU 57 1HD2 LEU 57 13.767 4.423 -11.474 420 2HD2 LEU 57 2HD2 LEU 57 12.982 5.229 -10.095 421 3HD2 LEU 57 3HD2 LEU 57 12.743 3.485 -10.361 422 H SER 58 H SER 58 10.914 2.959 -14.951 423 HA SER 58 HA SER 58 11.839 5.362 -16.035 424 1HB SER 58 1HB SER 58 11.888 2.662 -16.710 425 2HB SER 58 2HB SER 58 10.999 3.411 -18.058 426 HG SER 58 HG SER 58 13.402 3.376 -18.137 427 H ASP 59 H ASP 59 8.737 3.641 -16.619 428 HA ASP 59 HA ASP 59 7.792 6.028 -18.118 429 1HB ASP 59 1HB ASP 59 7.628 3.881 -19.294 430 2HB ASP 59 2HB ASP 59 6.712 3.190 -17.937 431 HA PRO 60 HA PRO 60 5.269 7.165 -14.695 432 1HB PRO 60 1HB PRO 60 3.467 8.775 -15.953 433 2HB PRO 60 2HB PRO 60 5.202 9.213 -15.831 434 1HG PRO 60 1HG PRO 60 3.811 7.846 -18.152 435 2HG PRO 60 2HG PRO 60 4.849 9.308 -18.214 436 1HD PRO 60 1HD PRO 60 5.854 6.828 -18.734 437 2HD PRO 60 2HD PRO 60 6.809 8.015 -17.794 438 H ARG 61 H ARG 61 4.821 4.535 -15.604 439 HA ARG 61 HA ARG 61 2.056 4.179 -16.375 440 1HB ARG 61 1HB ARG 61 3.562 2.471 -17.036 441 2HB ARG 61 2HB ARG 61 4.274 2.353 -15.409 442 1HG ARG 61 1HG ARG 61 2.662 0.926 -14.702 443 2HG ARG 61 2HG ARG 61 1.366 1.922 -15.406 444 1HD ARG 61 1HD ARG 61 1.144 0.187 -16.863 445 2HD ARG 61 2HD ARG 61 2.546 0.926 -17.667 446 HE ARG 61 HE ARG 61 3.727 -0.693 -15.821 447 1HH1 ARG 61 1HH1 ARG 61 3.303 -3.867 -17.300 448 2HH1 ARG 61 2HH1 ARG 61 4.234 -2.922 -16.160 449 1HH2 ARG 61 1HH2 ARG 61 1.558 -2.883 -18.472 450 2HH2 ARG 61 2HH2 ARG 61 1.174 -1.196 -18.215 451 H LEU 62 H LEU 62 0.994 5.502 -14.746 452 HA LEU 62 HA LEU 62 1.214 4.756 -11.951 453 1HB LEU 62 1HB LEU 62 0.005 6.853 -13.559 454 2HB LEU 62 2HB LEU 62 -1.160 6.221 -12.371 455 HG LEU 62 HG LEU 62 0.581 8.138 -11.715 456 1HD1 LEU 62 1HD1 LEU 62 0.363 5.881 -9.733 457 2HD1 LEU 62 2HD1 LEU 62 0.095 7.625 -9.499 458 3HD1 LEU 62 3HD1 LEU 62 -1.131 6.641 -10.333 459 1HD2 LEU 62 1HD2 LEU 62 2.676 7.386 -10.967 460 2HD2 LEU 62 2HD2 LEU 62 2.142 5.691 -10.867 461 3HD2 LEU 62 3HD2 LEU 62 2.445 6.437 -12.455 462 H GLU 63 H GLU 63 -0.140 3.471 -10.745 463 HA GLU 63 HA GLU 63 -2.460 2.257 -12.143 464 1HB GLU 63 1HB GLU 63 -0.328 0.731 -10.596 465 2HB GLU 63 2HB GLU 63 -1.806 0.038 -11.306 466 1HG GLU 63 1HG GLU 63 0.479 1.387 -12.800 467 2HG GLU 63 2HG GLU 63 0.069 -0.342 -12.822 468 H THR 64 H THR 64 -4.212 1.830 -10.823 469 HA THR 64 HA THR 64 -3.861 2.596 -7.961 470 HB THR 64 HB THR 64 -6.388 3.203 -8.243 471 HG1 THR 64 1HG THR 64 -5.481 3.509 -10.910 472 1HG2 THR 64 1HG2 THR 64 -5.749 5.428 -8.503 473 2HG2 THR 64 2HG2 THR 64 -4.189 4.687 -8.074 474 3HG2 THR 64 3HG2 THR 64 -4.564 5.047 -9.776 475 H ILE 65 H ILE 65 -4.777 1.282 -6.419 476 HA ILE 65 HA ILE 65 -6.411 -1.005 -7.358 477 HB ILE 65 HB ILE 65 -3.943 -1.626 -7.206 478 1HG1 ILE 65 1HG1 ILE 65 -5.952 -2.970 -5.350 479 2HG1 ILE 65 2HG1 ILE 65 -5.709 -3.318 -7.078 480 1HG2 ILE 65 1HG2 ILE 65 -4.497 -1.297 -4.227 481 2HG2 ILE 65 2HG2 ILE 65 -2.988 -1.873 -4.974 482 3HG2 ILE 65 3HG2 ILE 65 -3.501 -0.183 -5.196 483 1HD1 ILE 65 1HD1 ILE 65 -3.308 -3.911 -6.532 484 2HD1 ILE 65 2HD1 ILE 65 -3.728 -3.762 -4.808 485 3HD1 ILE 65 3HD1 ILE 65 -4.515 -5.003 -5.813 486 H THR 66 H THR 66 -8.172 -1.249 -6.105 487 HA THR 66 HA THR 66 -8.181 0.169 -3.494 488 HB THR 66 HB THR 66 -10.398 -0.751 -5.359 489 HG1 THR 66 1HG THR 66 -9.548 1.155 -6.012 490 1HG2 THR 66 1HG2 THR 66 -10.379 -0.057 -2.473 491 2HG2 THR 66 2HG2 THR 66 -11.582 0.824 -3.446 492 3HG2 THR 66 3HG2 THR 66 -11.587 -0.956 -3.423 493 H LEU 67 H LEU 67 -8.086 -0.992 -1.670 494 HA LEU 67 HA LEU 67 -8.447 -3.921 -1.868 495 1HB LEU 67 1HB LEU 67 -7.353 -2.183 0.380 496 2HB LEU 67 2HB LEU 67 -7.325 -3.962 0.314 497 HG LEU 67 HG LEU 67 -6.169 -2.458 -2.012 498 1HD1 LEU 67 1HD1 LEU 67 -5.371 -1.881 0.644 499 2HD1 LEU 67 2HD1 LEU 67 -4.142 -2.995 -0.001 500 3HD1 LEU 67 3HD1 LEU 67 -4.500 -1.476 -0.855 501 1HD2 LEU 67 1HD2 LEU 67 -6.245 -5.133 -0.963 502 2HD2 LEU 67 2HD2 LEU 67 -5.505 -4.560 -2.476 503 3HD2 LEU 67 3HD2 LEU 67 -4.552 -4.585 -0.973 504 H GLN 68 H GLN 68 -10.266 -4.880 -1.183 505 HA GLN 68 HA GLN 68 -12.314 -3.254 0.130 506 1HB GLN 68 1HB GLN 68 -12.256 -6.152 -0.796 507 2HB GLN 68 2HB GLN 68 -13.688 -5.312 -0.155 508 1HG GLN 68 1HG GLN 68 -12.216 -3.930 -2.351 509 2HG GLN 68 2HG GLN 68 -13.078 -5.418 -2.800 510 1HE2 GLN 68 1HE2 GLN 68 -13.471 -2.248 -1.161 511 2HE2 GLN 68 2HE2 GLN 68 -15.172 -2.065 -1.532 512 H LYS 69 H LYS 69 -13.627 -4.752 1.856 513 HA LYS 69 HA LYS 69 -12.143 -4.662 4.224 514 1HB LYS 69 1HB LYS 69 -14.443 -6.576 3.730 515 2HB LYS 69 2HB LYS 69 -14.006 -5.737 5.238 516 1HG LYS 69 1HG LYS 69 -15.479 -4.129 4.639 517 2HG LYS 69 2HG LYS 69 -14.327 -3.674 3.360 518 1HD LYS 69 1HD LYS 69 -15.398 -5.364 1.853 519 2HD LYS 69 2HD LYS 69 -16.601 -5.691 3.124 520 1HE LYS 69 1HE LYS 69 -16.103 -2.880 2.109 521 2HE LYS 69 2HE LYS 69 -17.217 -3.979 1.268 522 1HZ LYS 69 1HZ LYS 69 -18.705 -3.357 2.721 523 2HZ LYS 69 2HZ LYS 69 -17.859 -4.133 3.906 524 3HZ LYS 69 3HZ LYS 69 -17.610 -2.525 3.632 525 H TRP 70 H TRP 70 -10.687 -5.970 5.191 526 HA TRP 70 HA TRP 70 -9.187 -7.691 5.407 527 1HB TRP 70 1HB TRP 70 -11.494 -9.441 4.529 528 2HB TRP 70 2HB TRP 70 -10.138 -9.878 5.578 529 HD1 TRP 70 HD TRP 70 -13.643 -8.908 5.721 530 HE1 TRP 70 1HE TRP 70 -14.372 -8.230 8.065 531 HE3 TRP 70 3HE TRP 70 -9.032 -8.376 7.879 532 HZ2 TRP 70 2HZ TRP 70 -13.116 -7.538 10.579 533 HZ3 TRP 70 3HZ TRP 70 -8.839 -7.707 10.246 534 HH2 TRP 70 HH TRP 70 -10.865 -7.285 11.607 535 H GLY 71 H GLY 71 -9.370 -6.361 2.787 536 1HA GLY 71 1HA GLY 71 -8.996 -8.500 0.818 537 2HA GLY 71 2HA GLY 71 -8.896 -6.747 0.535 538 H SER 72 H SER 72 -7.022 -8.784 -0.395 539 HA SER 72 HA SER 72 -4.587 -7.697 0.905 540 1HB SER 72 1HB SER 72 -4.478 -10.542 0.048 541 2HB SER 72 2HB SER 72 -3.734 -9.740 1.452 542 HG SER 72 HG SER 72 -5.676 -9.820 2.510 543 H TRP 73 H TRP 73 -2.659 -7.896 -0.484 544 HA TRP 73 HA TRP 73 -3.332 -8.282 -3.353 545 1HB TRP 73 1HB TRP 73 -3.418 -5.866 -2.723 546 2HB TRP 73 2HB TRP 73 -1.732 -5.978 -2.201 547 HD1 TRP 73 HD TRP 73 -3.097 -7.541 -5.430 548 HE1 TRP 73 1HE TRP 73 -1.949 -6.489 -7.445 549 HE3 TRP 73 3HE TRP 73 -0.409 -3.912 -3.022 550 HZ2 TRP 73 2HZ TRP 73 -0.087 -4.334 -7.961 551 HZ3 TRP 73 3HZ TRP 73 1.039 -2.381 -4.306 552 HH2 TRP 73 HH TRP 73 1.211 -2.578 -6.770 553 H ASN 74 H ASN 74 -1.873 -9.509 -4.409 554 HA ASN 74 HA ASN 74 0.869 -9.700 -3.296 555 1HB ASN 74 1HB ASN 74 0.788 -12.160 -3.545 556 2HB ASN 74 2HB ASN 74 -0.378 -11.575 -2.338 557 1HD2 ASN 74 1HD2 ASN 74 -0.240 -14.029 -4.206 558 2HD2 ASN 74 2HD2 ASN 74 -1.809 -14.049 -4.984 559 HA PRO 75 HA PRO 75 0.763 -9.124 -7.879 560 1HB PRO 75 1HB PRO 75 2.622 -7.136 -7.989 561 2HB PRO 75 2HB PRO 75 0.921 -6.815 -7.519 562 1HG PRO 75 1HG PRO 75 3.278 -7.294 -5.674 563 2HG PRO 75 2HG PRO 75 2.119 -5.926 -5.625 564 1HD PRO 75 1HD PRO 75 1.793 -8.122 -4.044 565 2HD PRO 75 2HD PRO 75 0.380 -7.343 -4.817 566 H GLY 76 H GLY 76 3.907 -8.367 -6.305 567 1HA GLY 76 1HA GLY 76 5.303 -10.621 -6.178 568 2HA GLY 76 2HA GLY 76 5.163 -10.475 -7.945 569 H HIS 77 H HIS 77 5.945 -8.401 -5.091 570 HA HIS 77 HA HIS 77 7.652 -6.915 -4.747 571 1HB HIS 77 1HB HIS 77 9.104 -8.778 -5.424 572 2HB HIS 77 2HB HIS 77 8.893 -8.336 -7.128 573 HD1 HIS 77 1HD HIS 77 9.467 -5.295 -7.127 574 HD2 HIS 77 2HD HIS 77 11.540 -8.138 -4.797 575 HE1 HIS 77 1HE HIS 77 11.744 -4.253 -6.551 576 HE2 HIS 77 2HE HIS 77 12.994 -5.988 -5.136 577 H ILE 78 H ILE 78 6.463 -5.059 -5.202 578 HA ILE 78 HA ILE 78 6.272 -4.161 -7.997 579 HB ILE 78 HB ILE 78 5.291 -2.909 -5.401 580 1HG1 ILE 78 1HG1 ILE 78 4.415 -5.252 -6.446 581 2HG1 ILE 78 2HG1 ILE 78 3.332 -4.085 -5.649 582 1HG2 ILE 78 1HG2 ILE 78 4.790 -2.305 -8.344 583 2HG2 ILE 78 2HG2 ILE 78 3.798 -1.653 -7.018 584 3HG2 ILE 78 3HG2 ILE 78 5.523 -1.229 -7.130 585 1HD1 ILE 78 1HD1 ILE 78 3.906 -4.223 -8.641 586 2HD1 ILE 78 2HD1 ILE 78 2.423 -4.795 -7.841 587 3HD1 ILE 78 3HD1 ILE 78 2.820 -3.060 -7.842 588 H HIS 79 H HIS 79 7.221 -2.254 -8.787 589 HA HIS 79 HA HIS 79 9.834 -1.704 -8.153 590 1HB HIS 79 1HB HIS 79 9.029 -0.759 -10.127 591 2HB HIS 79 2HB HIS 79 7.612 -0.049 -9.331 592 HD1 HIS 79 1HD HIS 79 11.384 0.460 -8.512 593 HD2 HIS 79 2HD HIS 79 7.865 2.523 -9.591 594 HE1 HIS 79 1HE HIS 79 11.961 2.964 -8.475 595 HE2 HIS 79 2HE HIS 79 9.816 4.207 -9.132 596 H GLU 80 H GLU 80 7.343 0.750 -7.327 597 HA GLU 80 HA GLU 80 8.128 0.781 -4.529 598 1HB GLU 80 1HB GLU 80 10.010 1.995 -5.672 599 2HB GLU 80 2HB GLU 80 8.822 3.182 -6.263 600 1HG GLU 80 1HG GLU 80 8.183 3.077 -3.600 601 2HG GLU 80 2HG GLU 80 9.936 2.792 -3.538 602 H ILE 81 H ILE 81 6.710 2.043 -3.256 603 HA ILE 81 HA ILE 81 4.131 2.522 -4.531 604 HB ILE 81 HB ILE 81 5.145 2.810 -1.678 605 1HG1 ILE 81 1HG1 ILE 81 4.929 0.501 -2.774 606 2HG1 ILE 81 2HG1 ILE 81 3.990 0.749 -1.282 607 1HG2 ILE 81 1HG2 ILE 81 2.422 2.678 -1.506 608 2HG2 ILE 81 2HG2 ILE 81 3.339 4.204 -1.506 609 3HG2 ILE 81 3HG2 ILE 81 2.606 3.607 -3.014 610 1HD1 ILE 81 1HD1 ILE 81 2.052 0.387 -2.378 611 2HD1 ILE 81 2HD1 ILE 81 2.460 1.621 -3.595 612 3HD1 ILE 81 3HD1 ILE 81 3.007 -0.059 -3.812 613 H LEU 82 H LEU 82 3.174 4.477 -4.949 614 HA LEU 82 HA LEU 82 4.965 6.807 -4.922 615 1HB LEU 82 1HB LEU 82 2.151 6.424 -6.019 616 2HB LEU 82 2HB LEU 82 3.194 7.842 -6.289 617 HG LEU 82 HG LEU 82 3.480 5.029 -7.343 618 1HD1 LEU 82 1HD1 LEU 82 3.066 7.744 -8.347 619 2HD1 LEU 82 2HD1 LEU 82 4.461 6.963 -9.130 620 3HD1 LEU 82 3HD1 LEU 82 2.861 6.186 -9.183 621 1HD2 LEU 82 1HD2 LEU 82 5.615 5.246 -6.345 622 2HD2 LEU 82 2HD2 LEU 82 5.864 5.826 -8.009 623 3HD2 LEU 82 3HD2 LEU 82 5.690 6.993 -6.677 624 H SER 83 H SER 83 1.500 6.272 -4.046 625 HA SER 83 HA SER 83 1.968 7.747 -1.532 626 1HB SER 83 1HB SER 83 1.335 9.430 -3.277 627 2HB SER 83 2HB SER 83 -0.183 8.537 -3.533 628 HG SER 83 HG SER 83 0.712 9.670 -1.086 629 H ILE 84 H ILE 84 -0.156 7.735 -0.209 630 HA ILE 84 HA ILE 84 -1.696 5.254 -0.769 631 HB ILE 84 HB ILE 84 -0.230 6.046 1.762 632 1HG1 ILE 84 1HG1 ILE 84 -0.454 3.375 0.324 633 2HG1 ILE 84 2HG1 ILE 84 0.809 4.572 -0.051 634 1HG2 ILE 84 1HG2 ILE 84 -2.496 4.033 1.430 635 2HG2 ILE 84 2HG2 ILE 84 -1.491 4.224 2.886 636 3HG2 ILE 84 3HG2 ILE 84 -2.567 5.544 2.369 637 1HD1 ILE 84 1HD1 ILE 84 0.309 3.162 2.599 638 2HD1 ILE 84 2HD1 ILE 84 1.751 3.050 1.561 639 3HD1 ILE 84 3HD1 ILE 84 1.395 4.562 2.430 640 H ARG 85 H ARG 85 -3.841 5.581 -0.663 641 HA ARG 85 HA ARG 85 -4.781 7.996 0.814 642 1HB ARG 85 1HB ARG 85 -5.106 8.456 -1.491 643 2HB ARG 85 2HB ARG 85 -5.639 6.793 -1.833 644 1HG ARG 85 1HG ARG 85 -7.719 7.115 -0.719 645 2HG ARG 85 2HG ARG 85 -7.152 8.602 0.079 646 1HD ARG 85 1HD ARG 85 -6.838 8.934 -2.753 647 2HD ARG 85 2HD ARG 85 -8.481 8.327 -2.451 648 HE ARG 85 HE ARG 85 -8.015 10.366 -0.575 649 1HH1 ARG 85 1HH1 ARG 85 -9.100 13.047 -2.594 650 2HH1 ARG 85 2HH1 ARG 85 -8.774 12.514 -0.960 651 1HH2 ARG 85 1HH2 ARG 85 -8.770 11.596 -4.375 652 2HH2 ARG 85 2HH2 ARG 85 -8.196 9.969 -4.084 653 H ILE 86 H ILE 86 -6.243 7.644 2.389 654 HA ILE 86 HA ILE 86 -7.489 4.938 2.498 655 HB ILE 86 HB ILE 86 -6.823 6.837 4.782 656 1HG1 ILE 86 1HG1 ILE 86 -5.486 4.179 4.299 657 2HG1 ILE 86 2HG1 ILE 86 -4.932 5.602 3.385 658 1HG2 ILE 86 1HG2 ILE 86 -7.610 5.155 6.222 659 2HG2 ILE 86 2HG2 ILE 86 -8.787 5.098 4.889 660 3HG2 ILE 86 3HG2 ILE 86 -7.481 3.891 4.975 661 1HD1 ILE 86 1HD1 ILE 86 -5.034 5.252 6.405 662 2HD1 ILE 86 2HD1 ILE 86 -3.599 5.511 5.385 663 3HD1 ILE 86 3HD1 ILE 86 -4.774 6.827 5.618 664 H TYR 87 H TYR 87 -9.685 4.796 2.698 665 HA TYR 87 HA TYR 87 -11.188 7.271 2.265 666 1HB TYR 87 1HB TYR 87 -11.906 4.329 2.370 667 2HB TYR 87 2HB TYR 87 -13.116 5.608 2.174 668 HD1 TYR 87 1HD TYR 87 -13.839 5.929 0.008 669 HD2 TYR 87 2HD TYR 87 -9.760 4.763 0.686 670 HE1 TYR 87 1HE TYR 87 -13.429 5.942 -2.438 671 HE2 TYR 87 2HE TYR 87 -9.350 4.776 -1.760 672 HH TYR 87 HH TYR 87 -11.468 4.581 -4.042 Start of MODEL 11 1 H MET 1 H MET 1 -3.204 13.177 6.798 2 HA MET 1 HA MET 1 -2.662 13.026 9.036 3 1HB MET 1 1HB MET 1 -5.606 12.450 9.137 4 2HB MET 1 2HB MET 1 -4.610 12.023 10.549 5 1HG MET 1 1HG MET 1 -3.736 14.309 10.651 6 2HG MET 1 2HG MET 1 -4.655 14.748 9.202 7 1HE MET 1 1HE MET 1 -5.417 16.531 12.424 8 2HE MET 1 2HE MET 1 -4.790 16.615 10.761 9 3HE MET 1 3HE MET 1 -6.504 16.969 11.084 10 H ILE 2 H ILE 2 -2.021 11.066 7.112 11 HA ILE 2 HA ILE 2 -2.482 8.471 8.440 12 HB ILE 2 HB ILE 2 -2.720 8.680 5.974 13 1HG1 ILE 2 1HG1 ILE 2 -0.289 7.034 6.790 14 2HG1 ILE 2 2HG1 ILE 2 -1.976 6.548 7.083 15 1HG2 ILE 2 1HG2 ILE 2 0.048 8.747 5.242 16 2HG2 ILE 2 2HG2 ILE 2 -1.229 9.913 4.820 17 3HG2 ILE 2 3HG2 ILE 2 -0.264 10.146 6.297 18 1HD1 ILE 2 1HD1 ILE 2 -0.713 7.109 4.366 19 2HD1 ILE 2 2HD1 ILE 2 -1.139 5.508 5.015 20 3HD1 ILE 2 3HD1 ILE 2 -2.420 6.685 4.637 21 H ASN 3 H ASN 3 -0.878 7.270 9.426 22 HA ASN 3 HA ASN 3 1.856 8.411 9.459 23 1HB ASN 3 1HB ASN 3 0.341 7.602 11.965 24 2HB ASN 3 2HB ASN 3 1.971 8.303 11.870 25 1HD2 ASN 3 1HD2 ASN 3 2.240 10.527 11.442 26 2HD2 ASN 3 2HD2 ASN 3 0.905 11.657 11.515 27 H ARG 4 H ARG 4 3.490 6.877 9.881 28 HA ARG 4 HA ARG 4 2.789 4.176 9.113 29 1HB ARG 4 1HB ARG 4 4.929 5.514 8.562 30 2HB ARG 4 2HB ARG 4 5.455 5.104 10.212 31 1HG ARG 4 1HG ARG 4 4.938 2.667 9.631 32 2HG ARG 4 2HG ARG 4 4.773 3.199 7.941 33 1HD ARG 4 1HD ARG 4 7.036 2.500 8.143 34 2HD ARG 4 2HD ARG 4 7.093 4.274 8.222 35 HE ARG 4 HE ARG 4 7.908 4.116 10.373 36 1HH1 ARG 4 1HH1 ARG 4 8.043 1.336 12.541 37 2HH1 ARG 4 2HH1 ARG 4 8.525 3.001 12.301 38 1HH2 ARG 4 1HH2 ARG 4 6.785 0.248 10.924 39 2HH2 ARG 4 2HH2 ARG 4 6.317 1.092 9.464 40 H THR 5 H THR 5 1.802 2.843 10.525 41 HA THR 5 HA THR 5 2.747 2.915 13.351 42 HB THR 5 HB THR 5 0.368 3.541 13.017 43 HG1 THR 5 1HG THR 5 0.687 0.955 14.144 44 1HG2 THR 5 1HG2 THR 5 -0.456 2.463 11.141 45 2HG2 THR 5 2HG2 THR 5 0.431 0.959 11.485 46 3HG2 THR 5 3HG2 THR 5 -1.047 1.350 12.397 47 H ASP 6 H ASP 6 3.010 0.887 14.442 48 HA ASP 6 HA ASP 6 3.922 -1.226 12.611 49 1HB ASP 6 1HB ASP 6 4.812 -0.200 15.051 50 2HB ASP 6 2HB ASP 6 4.096 -1.768 15.480 51 H CYS 7 H CYS 7 1.050 -0.672 12.792 52 HA CYS 7 HA CYS 7 -0.858 -1.947 12.793 53 1HB CYS 7 1HB CYS 7 0.396 -4.371 13.941 54 2HB CYS 7 2HB CYS 7 -0.658 -4.190 12.529 55 H ASN 8 H ASN 8 -2.462 -1.863 14.274 56 HA ASN 8 HA ASN 8 -1.847 -2.529 17.083 57 1HB ASN 8 1HB ASN 8 -2.969 -0.392 17.803 58 2HB ASN 8 2HB ASN 8 -1.383 -0.169 17.032 59 1HD2 ASN 8 1HD2 ASN 8 -1.307 0.521 14.775 60 2HD2 ASN 8 2HD2 ASN 8 -2.634 1.445 14.106 61 H GLU 9 H GLU 9 -3.592 -3.371 18.177 62 HA GLU 9 HA GLU 9 -5.686 -4.242 18.491 63 1HB GLU 9 1HB GLU 9 -6.409 -2.059 16.503 64 2HB GLU 9 2HB GLU 9 -7.606 -3.077 17.339 65 1HG GLU 9 1HG GLU 9 -5.477 -1.495 18.818 66 2HG GLU 9 2HG GLU 9 -7.074 -0.819 18.432 67 H ASN 10 H ASN 10 -6.386 -3.367 15.118 68 HA ASN 10 HA ASN 10 -5.479 -5.548 13.714 69 1HB ASN 10 1HB ASN 10 -7.319 -6.422 15.697 70 2HB ASN 10 2HB ASN 10 -8.155 -6.539 14.133 71 1HD2 ASN 10 1HD2 ASN 10 -8.074 -8.891 14.462 72 2HD2 ASN 10 2HD2 ASN 10 -6.611 -9.763 14.057 73 H SER 11 H SER 11 -6.844 -6.017 11.717 74 HA SER 11 HA SER 11 -8.042 -5.256 9.921 75 1HB SER 11 1HB SER 11 -10.133 -5.068 10.760 76 2HB SER 11 2HB SER 11 -9.554 -4.319 12.268 77 HG SER 11 HG SER 11 -9.420 -2.356 11.196 78 H TYR 12 H TYR 12 -6.123 -4.285 9.075 79 HA TYR 12 HA TYR 12 -6.393 -1.429 8.686 80 1HB TYR 12 1HB TYR 12 -4.298 -2.562 10.522 81 2HB TYR 12 2HB TYR 12 -3.911 -1.156 9.516 82 HD1 TYR 12 1HD TYR 12 -5.648 0.824 9.620 83 HD2 TYR 12 2HD TYR 12 -5.254 -2.231 12.613 84 HE1 TYR 12 1HE TYR 12 -6.735 2.311 11.281 85 HE2 TYR 12 2HE TYR 12 -6.340 -0.745 14.274 86 HH TYR 12 HH TYR 12 -7.958 1.289 14.232 87 H LEU 13 H LEU 13 -4.339 -0.647 7.391 88 HA LEU 13 HA LEU 13 -3.937 -2.677 5.290 89 1HB LEU 13 1HB LEU 13 -4.602 -0.630 4.362 90 2HB LEU 13 2HB LEU 13 -3.620 0.319 5.503 91 HG LEU 13 HG LEU 13 -1.619 -1.022 4.359 92 1HD1 LEU 13 1HD1 LEU 13 -2.157 -2.170 2.495 93 2HD1 LEU 13 2HD1 LEU 13 -3.874 -1.833 2.819 94 3HD1 LEU 13 3HD1 LEU 13 -2.928 -0.726 1.796 95 1HD2 LEU 13 1HD2 LEU 13 -2.067 0.912 2.411 96 2HD2 LEU 13 2HD2 LEU 13 -3.019 1.507 3.792 97 3HD2 LEU 13 3HD2 LEU 13 -1.278 1.188 3.982 98 H GLU 14 H GLU 14 -2.078 -3.775 5.027 99 HA GLU 14 HA GLU 14 0.385 -2.663 6.258 100 1HB GLU 14 1HB GLU 14 -0.497 -5.563 6.498 101 2HB GLU 14 2HB GLU 14 0.940 -4.809 7.228 102 1HG GLU 14 1HG GLU 14 -0.280 -4.194 9.013 103 2HG GLU 14 2HG GLU 14 -1.354 -3.250 7.959 104 H ILE 15 H ILE 15 1.859 -2.457 4.694 105 HA ILE 15 HA ILE 15 1.719 -4.341 2.393 106 HB ILE 15 HB ILE 15 3.022 -1.598 2.587 107 1HG1 ILE 15 1HG1 ILE 15 0.531 -2.289 1.016 108 2HG1 ILE 15 2HG1 ILE 15 0.416 -1.835 2.734 109 1HG2 ILE 15 1HG2 ILE 15 2.998 -3.783 0.603 110 2HG2 ILE 15 2HG2 ILE 15 2.509 -2.208 -0.068 111 3HG2 ILE 15 3HG2 ILE 15 4.086 -2.381 0.739 112 1HD1 ILE 15 1HD1 ILE 15 2.080 0.123 1.850 113 2HD1 ILE 15 2HD1 ILE 15 1.151 -0.179 0.362 114 3HD1 ILE 15 3HD1 ILE 15 0.308 0.284 1.860 115 H HIS 16 H HIS 16 3.253 -5.865 2.290 116 HA HIS 16 HA HIS 16 5.820 -5.333 3.713 117 1HB HIS 16 1HB HIS 16 5.943 -7.761 4.074 118 2HB HIS 16 2HB HIS 16 4.487 -7.067 4.810 119 HD1 HIS 16 1HD HIS 16 5.544 -9.695 2.354 120 HD2 HIS 16 2HD HIS 16 2.110 -7.463 3.370 121 HE1 HIS 16 1HE HIS 16 3.542 -10.900 1.285 122 HE2 HIS 16 2HE HIS 16 1.463 -9.535 1.909 123 H ASN 17 H ASN 17 7.149 -4.659 2.083 124 HA ASN 17 HA ASN 17 7.143 -6.238 -0.432 125 1HB ASN 17 1HB ASN 17 8.574 -4.302 -1.235 126 2HB ASN 17 2HB ASN 17 6.894 -3.894 -0.826 127 1HD2 ASN 17 1HD2 ASN 17 8.888 -1.921 -0.930 128 2HD2 ASN 17 2HD2 ASN 17 9.191 -1.330 0.690 129 H ASN 18 H ASN 18 9.627 -5.979 -1.382 130 HA ASN 18 HA ASN 18 11.742 -6.845 -1.251 131 1HB ASN 18 1HB ASN 18 11.306 -5.629 1.451 132 2HB ASN 18 2HB ASN 18 12.711 -6.696 1.238 133 1HD2 ASN 18 1HD2 ASN 18 11.913 -3.546 1.286 134 2HD2 ASN 18 2HD2 ASN 18 13.024 -2.901 0.097 135 H GLU 19 H GLU 19 9.294 -8.508 -0.757 136 HA GLU 19 HA GLU 19 8.878 -10.721 -0.339 137 1HB GLU 19 1HB GLU 19 11.888 -10.759 0.081 138 2HB GLU 19 2HB GLU 19 10.866 -12.215 0.108 139 1HG GLU 19 1HG GLU 19 10.032 -11.596 -2.182 140 2HG GLU 19 2HG GLU 19 11.205 -10.262 -2.203 141 H GLY 20 H GLY 20 7.944 -9.260 1.583 142 1HA GLY 20 1HA GLY 20 7.435 -9.147 3.820 143 2HA GLY 20 2HA GLY 20 7.965 -10.842 3.894 144 H ARG 21 H ARG 21 9.888 -7.929 3.072 145 HA ARG 21 HA ARG 21 11.773 -8.680 5.228 146 1HB ARG 21 1HB ARG 21 12.483 -8.303 2.795 147 2HB ARG 21 2HB ARG 21 12.140 -6.578 3.070 148 1HG ARG 21 1HG ARG 21 13.695 -7.635 5.277 149 2HG ARG 21 2HG ARG 21 14.509 -7.998 3.736 150 1HD ARG 21 1HD ARG 21 13.897 -5.491 3.168 151 2HD ARG 21 2HD ARG 21 13.781 -5.328 4.934 152 HE ARG 21 HE ARG 21 16.196 -5.603 3.357 153 1HH1 ARG 21 1HH1 ARG 21 18.200 -5.945 6.240 154 2HH1 ARG 21 2HH1 ARG 21 18.194 -5.640 4.517 155 1HH2 ARG 21 1HH2 ARG 21 16.201 -6.311 7.360 156 2HH2 ARG 21 2HH2 ARG 21 14.688 -6.282 6.482 157 H ASP 22 H ASP 22 10.058 -5.801 3.896 158 HA ASP 22 HA ASP 22 10.154 -4.649 6.643 159 1HB ASP 22 1HB ASP 22 10.628 -3.298 3.965 160 2HB ASP 22 2HB ASP 22 10.288 -2.407 5.464 161 H THR 23 H THR 23 8.134 -4.561 7.424 162 HA THR 23 HA THR 23 5.901 -4.286 5.487 163 HB THR 23 HB THR 23 5.728 -4.977 8.436 164 HG1 THR 23 1HG THR 23 6.233 -6.597 6.170 165 1HG2 THR 23 1HG2 THR 23 3.564 -4.570 7.718 166 2HG2 THR 23 2HG2 THR 23 3.929 -5.001 6.031 167 3HG2 THR 23 3HG2 THR 23 3.712 -6.280 7.249 168 H LEU 24 H LEU 24 4.265 -2.718 5.807 169 HA LEU 24 HA LEU 24 4.923 -0.581 7.768 170 1HB LEU 24 1HB LEU 24 3.925 0.050 4.987 171 2HB LEU 24 2HB LEU 24 4.752 1.111 6.152 172 HG LEU 24 HG LEU 24 6.450 -1.148 5.613 173 1HD1 LEU 24 1HD1 LEU 24 5.670 -1.608 3.489 174 2HD1 LEU 24 2HD1 LEU 24 5.012 0.029 3.261 175 3HD1 LEU 24 3HD1 LEU 24 6.760 -0.258 3.093 176 1HD2 LEU 24 1HD2 LEU 24 6.605 1.619 6.006 177 2HD2 LEU 24 2HD2 LEU 24 7.971 0.526 5.680 178 3HD2 LEU 24 3HD2 LEU 24 7.183 1.389 4.338 179 H CYS 25 H CYS 25 3.247 -0.547 9.143 180 HA CYS 25 HA CYS 25 0.556 -1.237 8.127 181 1HB CYS 25 1HB CYS 25 1.263 -0.613 10.987 182 2HB CYS 25 2HB CYS 25 -0.021 -1.656 10.353 183 H PHE 26 H PHE 26 -0.744 0.362 7.463 184 HA PHE 26 HA PHE 26 -0.293 3.074 8.606 185 1HB PHE 26 1HB PHE 26 -1.512 2.133 5.991 186 2HB PHE 26 2HB PHE 26 -1.546 3.814 6.550 187 HD1 PHE 26 1HD PHE 26 0.386 1.244 4.901 188 HD2 PHE 26 2HD PHE 26 0.655 5.025 6.921 189 HE1 PHE 26 1HE PHE 26 2.624 1.620 3.900 190 HE2 PHE 26 2HE PHE 26 2.892 5.401 5.920 191 HZ PHE 26 HZ PHE 26 3.877 3.698 4.409 192 H ALA 27 H ALA 27 -2.103 4.317 9.270 193 HA ALA 27 HA ALA 27 -4.680 2.869 9.463 194 1HB ALA 27 1HB ALA 27 -3.053 4.005 11.760 195 2HB ALA 27 2HB ALA 27 -4.804 3.704 11.877 196 3HB ALA 27 3HB ALA 27 -3.687 2.352 11.572 197 H ASN 28 H ASN 28 -6.354 4.492 10.505 198 HA ASN 28 HA ASN 28 -7.485 6.475 10.320 199 1HB ASN 28 1HB ASN 28 -4.631 7.454 10.095 200 2HB ASN 28 2HB ASN 28 -6.009 8.567 9.958 201 1HD2 ASN 28 1HD2 ASN 28 -3.879 8.372 12.050 202 2HD2 ASN 28 2HD2 ASN 28 -4.729 8.153 13.564 203 H ALA 29 H ALA 29 -8.550 7.614 8.701 204 HA ALA 29 HA ALA 29 -8.245 6.634 6.047 205 1HB ALA 29 1HB ALA 29 -9.714 9.056 7.160 206 2HB ALA 29 2HB ALA 29 -9.899 8.435 5.502 207 3HB ALA 29 3HB ALA 29 -10.386 7.430 6.888 208 H GLY 30 H GLY 30 -6.341 8.806 7.781 209 1HA GLY 30 1HA GLY 30 -5.755 10.957 6.203 210 2HA GLY 30 2HA GLY 30 -4.508 10.017 7.054 211 H THR 31 H THR 31 -4.180 11.384 4.513 212 HA THR 31 HA THR 31 -3.426 9.026 2.886 213 HB THR 31 HB THR 31 -5.020 11.436 1.944 214 HG1 THR 31 1HG THR 31 -6.325 9.815 2.630 215 1HG2 THR 31 1HG2 THR 31 -3.648 9.243 0.329 216 2HG2 THR 31 2HG2 THR 31 -4.732 10.492 -0.328 217 3HG2 THR 31 3HG2 THR 31 -3.165 10.956 0.377 218 H MET 32 H MET 32 -1.297 9.141 2.527 219 HA MET 32 HA MET 32 -0.117 11.789 1.924 220 1HB MET 32 1HB MET 32 1.574 11.611 3.553 221 2HB MET 32 2HB MET 32 0.104 11.105 4.421 222 1HG MET 32 1HG MET 32 0.664 8.728 3.858 223 2HG MET 32 2HG MET 32 2.186 9.292 3.151 224 1HE MET 32 1HE MET 32 2.650 7.198 4.656 225 2HE MET 32 2HE MET 32 3.272 7.372 6.314 226 3HE MET 32 3HE MET 32 1.528 7.148 6.037 227 HA PRO 33 HA PRO 33 2.087 9.534 -1.126 228 1HB PRO 33 1HB PRO 33 4.400 10.955 -1.362 229 2HB PRO 33 2HB PRO 33 2.807 11.665 -1.782 230 1HG PRO 33 1HG PRO 33 4.304 11.933 0.841 231 2HG PRO 33 2HG PRO 33 3.632 13.255 -0.169 232 1HD PRO 33 1HD PRO 33 2.247 12.236 1.946 233 2HD PRO 33 2HD PRO 33 1.400 12.665 0.429 234 H VAL 34 H VAL 34 3.210 7.652 -1.090 235 HA VAL 34 HA VAL 34 5.346 7.337 0.951 236 HB VAL 34 HB VAL 34 4.500 5.187 1.603 237 1HG1 VAL 34 1HG1 VAL 34 2.574 5.849 2.776 238 2HG1 VAL 34 2HG1 VAL 34 3.349 7.408 2.404 239 3HG1 VAL 34 3HG1 VAL 34 1.974 6.841 1.425 240 1HG2 VAL 34 1HG2 VAL 34 2.605 4.119 0.561 241 2HG2 VAL 34 2HG2 VAL 34 2.242 5.571 -0.401 242 3HG2 VAL 34 3HG2 VAL 34 3.704 4.617 -0.747 243 H ALA 35 H ALA 35 6.820 5.519 0.438 244 HA ALA 35 HA ALA 35 6.839 4.892 -2.474 245 1HB ALA 35 1HB ALA 35 8.997 5.619 -2.719 246 2HB ALA 35 2HB ALA 35 8.523 6.706 -1.393 247 3HB ALA 35 3HB ALA 35 9.437 5.220 -1.041 248 H ILE 36 H ILE 36 6.475 2.755 -2.610 249 HA ILE 36 HA ILE 36 7.994 0.995 -0.747 250 HB ILE 36 HB ILE 36 5.095 0.855 -1.623 251 1HG1 ILE 36 1HG1 ILE 36 5.775 0.171 1.128 252 2HG1 ILE 36 2HG1 ILE 36 6.428 1.768 0.689 253 1HG2 ILE 36 1HG2 ILE 36 4.993 -1.412 -0.829 254 2HG2 ILE 36 2HG2 ILE 36 6.358 -1.339 -1.969 255 3HG2 ILE 36 3HG2 ILE 36 6.663 -1.339 -0.216 256 1HD1 ILE 36 1HD1 ILE 36 4.199 2.456 -0.136 257 2HD1 ILE 36 2HD1 ILE 36 3.545 0.857 0.295 258 3HD1 ILE 36 3HD1 ILE 36 4.121 1.957 1.571 259 H TYR 37 H TYR 37 9.531 0.057 -1.969 260 HA TYR 37 HA TYR 37 8.850 -0.644 -4.773 261 1HB TYR 37 1HB TYR 37 11.532 -0.552 -3.351 262 2HB TYR 37 2HB TYR 37 11.267 -0.826 -5.082 263 HD1 TYR 37 1HD TYR 37 10.729 1.691 -2.364 264 HD2 TYR 37 2HD TYR 37 11.187 0.978 -6.575 265 HE1 TYR 37 1HE TYR 37 10.832 4.136 -2.767 266 HE2 TYR 37 2HE TYR 37 11.290 3.422 -6.978 267 HH TYR 37 HH TYR 37 10.758 5.797 -4.397 268 H GLY 38 H GLY 38 8.847 -2.744 -5.483 269 1HA GLY 38 1HA GLY 38 9.041 -5.044 -5.403 270 2HA GLY 38 2HA GLY 38 10.017 -4.888 -3.925 271 H VAL 39 H VAL 39 6.622 -4.336 -5.031 272 HA VAL 39 HA VAL 39 5.603 -4.902 -2.357 273 HB VAL 39 HB VAL 39 4.133 -4.529 -4.995 274 1HG1 VAL 39 1HG1 VAL 39 2.701 -3.587 -2.716 275 2HG1 VAL 39 2HG1 VAL 39 2.304 -4.976 -3.757 276 3HG1 VAL 39 3HG1 VAL 39 3.312 -5.209 -2.308 277 1HG2 VAL 39 1HG2 VAL 39 5.747 -2.660 -4.112 278 2HG2 VAL 39 2HG2 VAL 39 4.084 -2.217 -4.566 279 3HG2 VAL 39 3HG2 VAL 39 4.511 -2.429 -2.851 280 H ASN 40 H ASN 40 5.221 -6.888 -1.586 281 HA ASN 40 HA ASN 40 5.013 -9.115 -3.540 282 1HB ASN 40 1HB ASN 40 5.362 -9.371 -0.548 283 2HB ASN 40 2HB ASN 40 5.794 -10.530 -1.824 284 1HD2 ASN 40 1HD2 ASN 40 7.649 -10.113 -3.170 285 2HD2 ASN 40 2HD2 ASN 40 8.920 -9.037 -2.628 286 H TRP 41 H TRP 41 3.464 -7.692 -0.629 287 HA TRP 41 HA TRP 41 0.855 -8.518 -1.586 288 1HB TRP 41 1HB TRP 41 1.473 -10.633 -0.670 289 2HB TRP 41 2HB TRP 41 2.156 -9.883 0.780 290 HD1 TRP 41 HD TRP 41 -0.017 -8.217 1.973 291 HE1 TRP 41 1HE TRP 41 -2.248 -9.138 2.785 292 HE3 TRP 41 3HE TRP 41 -0.160 -12.527 -0.784 293 HZ2 TRP 41 2HZ TRP 41 -3.903 -11.463 2.303 294 HZ3 TRP 41 3HZ TRP 41 -2.076 -14.067 -0.581 295 HH2 TRP 41 HH TRP 41 -3.952 -13.552 0.954 296 H VAL 42 H VAL 42 -0.846 -7.500 -0.425 297 HA VAL 42 HA VAL 42 0.056 -5.573 1.658 298 HB VAL 42 HB VAL 42 -1.494 -5.096 -0.887 299 1HG1 VAL 42 1HG1 VAL 42 -1.597 -3.332 1.595 300 2HG1 VAL 42 2HG1 VAL 42 -2.417 -3.047 0.041 301 3HG1 VAL 42 3HG1 VAL 42 -2.920 -4.404 1.078 302 1HG2 VAL 42 1HG2 VAL 42 0.862 -3.931 0.595 303 2HG2 VAL 42 2HG2 VAL 42 0.716 -4.379 -1.122 304 3HG2 VAL 42 3HG2 VAL 42 -0.064 -2.897 -0.520 305 H GLU 43 H GLU 43 -1.405 -5.201 3.328 306 HA GLU 43 HA GLU 43 -3.706 -7.084 3.372 307 1HB GLU 43 1HB GLU 43 -2.053 -5.771 5.556 308 2HB GLU 43 2HB GLU 43 -3.564 -6.656 5.874 309 1HG GLU 43 1HG GLU 43 -1.392 -7.937 4.216 310 2HG GLU 43 2HG GLU 43 -1.253 -7.921 5.988 311 H SER 44 H SER 44 -5.714 -6.338 4.356 312 HA SER 44 HA SER 44 -6.095 -3.473 4.716 313 1HB SER 44 1HB SER 44 -7.061 -4.936 2.256 314 2HB SER 44 2HB SER 44 -7.985 -3.565 2.915 315 HG SER 44 HG SER 44 -6.153 -2.285 2.705 316 H GLY 45 H GLY 45 -6.705 -4.278 6.814 317 1HA GLY 45 1HA GLY 45 -8.549 -6.259 7.403 318 2HA GLY 45 2HA GLY 45 -8.352 -4.766 8.349 319 H ASN 46 H ASN 46 -10.719 -5.056 8.732 320 HA ASN 46 HA ASN 46 -12.588 -4.824 6.578 321 1HB ASN 46 1HB ASN 46 -13.232 -5.737 8.735 322 2HB ASN 46 2HB ASN 46 -12.800 -4.217 9.549 323 1HD2 ASN 46 1HD2 ASN 46 -14.543 -3.052 10.112 324 2HD2 ASN 46 2HD2 ASN 46 -16.018 -2.908 9.181 325 H ASN 47 H ASN 47 -10.887 -3.011 5.729 326 HA ASN 47 HA ASN 47 -12.379 -0.503 6.035 327 1HB ASN 47 1HB ASN 47 -10.072 0.676 6.323 328 2HB ASN 47 2HB ASN 47 -10.860 -0.033 7.749 329 1HD2 ASN 47 1HD2 ASN 47 -8.450 -0.714 5.171 330 2HD2 ASN 47 2HD2 ASN 47 -7.463 -1.792 6.134 331 H VAL 48 H VAL 48 -12.269 0.776 4.206 332 HA VAL 48 HA VAL 48 -11.012 -0.511 1.874 333 HB VAL 48 HB VAL 48 -12.769 1.966 2.005 334 1HG1 VAL 48 1HG1 VAL 48 -13.194 1.439 -0.345 335 2HG1 VAL 48 2HG1 VAL 48 -11.438 1.560 -0.081 336 3HG1 VAL 48 3HG1 VAL 48 -12.210 -0.038 -0.222 337 1HG2 VAL 48 1HG2 VAL 48 -14.557 0.645 2.386 338 2HG2 VAL 48 2HG2 VAL 48 -14.078 -0.448 1.065 339 3HG2 VAL 48 3HG2 VAL 48 -13.436 -0.700 2.706 340 H VAL 49 H VAL 49 -9.046 0.071 1.187 341 HA VAL 49 HA VAL 49 -8.205 2.891 1.589 342 HB VAL 49 HB VAL 49 -6.688 0.368 2.331 343 1HG1 VAL 49 1HG1 VAL 49 -5.360 2.063 0.919 344 2HG1 VAL 49 2HG1 VAL 49 -5.568 3.192 2.280 345 3HG1 VAL 49 3HG1 VAL 49 -4.689 1.662 2.518 346 1HG2 VAL 49 1HG2 VAL 49 -7.663 2.860 3.760 347 2HG2 VAL 49 2HG2 VAL 49 -7.965 1.154 4.170 348 3HG2 VAL 49 3HG2 VAL 49 -6.351 1.859 4.428 349 H THR 50 H THR 50 -7.005 3.747 -0.093 350 HA THR 50 HA THR 50 -6.793 1.987 -2.479 351 HB THR 50 HB THR 50 -7.153 4.952 -2.046 352 HG1 THR 50 1HG THR 50 -8.321 3.127 -3.874 353 1HG2 THR 50 1HG2 THR 50 -5.322 4.947 -3.579 354 2HG2 THR 50 2HG2 THR 50 -5.958 3.531 -4.450 355 3HG2 THR 50 3HG2 THR 50 -6.779 5.104 -4.590 356 H LEU 51 H LEU 51 -4.848 1.532 -3.384 357 HA LEU 51 HA LEU 51 -2.470 2.768 -2.085 358 1HB LEU 51 1HB LEU 51 -3.048 0.039 -3.239 359 2HB LEU 51 2HB LEU 51 -1.375 0.640 -3.154 360 HG LEU 51 HG LEU 51 -3.317 0.078 -0.903 361 1HD1 LEU 51 1HD1 LEU 51 -1.807 -1.714 -1.390 362 2HD1 LEU 51 2HD1 LEU 51 -0.432 -0.600 -1.580 363 3HD1 LEU 51 3HD1 LEU 51 -1.129 -0.887 0.033 364 1HD2 LEU 51 1HD2 LEU 51 -2.674 2.282 -0.324 365 2HD2 LEU 51 2HD2 LEU 51 -1.500 1.257 0.536 366 3HD2 LEU 51 3HD2 LEU 51 -1.032 2.069 -0.977 367 H GLN 52 H GLN 52 -1.223 4.072 -3.290 368 HA GLN 52 HA GLN 52 -1.635 4.005 -6.240 369 1HB GLN 52 1HB GLN 52 -1.053 6.198 -4.254 370 2HB GLN 52 2HB GLN 52 -0.555 6.382 -5.953 371 1HG GLN 52 1HG GLN 52 -3.086 5.476 -6.313 372 2HG GLN 52 2HG GLN 52 -3.288 6.305 -4.755 373 1HE2 GLN 52 1HE2 GLN 52 -1.888 6.770 -8.044 374 2HE2 GLN 52 2HE2 GLN 52 -2.258 8.478 -8.148 375 H PHE 53 H PHE 53 -0.056 2.826 -7.172 376 HA PHE 53 HA PHE 53 2.736 3.463 -6.384 377 1HB PHE 53 1HB PHE 53 3.320 1.096 -6.541 378 2HB PHE 53 2HB PHE 53 2.096 1.361 -5.287 379 HD1 PHE 53 1HD PHE 53 -0.246 0.652 -5.647 380 HD2 PHE 53 2HD PHE 53 2.842 -0.208 -8.506 381 HE1 PHE 53 1HE PHE 53 -1.703 -1.052 -6.707 382 HE2 PHE 53 2HE PHE 53 1.385 -1.912 -9.567 383 HZ PHE 53 HZ PHE 53 -0.887 -2.334 -8.667 384 H GLN 54 H GLN 54 4.298 3.062 -8.088 385 HA GLN 54 HA GLN 54 3.030 3.276 -10.766 386 1HB GLN 54 1HB GLN 54 4.749 4.985 -9.628 387 2HB GLN 54 2HB GLN 54 5.935 3.836 -10.294 388 1HG GLN 54 1HG GLN 54 5.119 4.135 -12.520 389 2HG GLN 54 2HG GLN 54 3.656 4.968 -11.951 390 1HE2 GLN 54 1HE2 GLN 54 6.973 5.295 -12.910 391 2HE2 GLN 54 2HE2 GLN 54 7.124 7.018 -12.638 392 H ARG 55 H ARG 55 2.936 1.401 -11.850 393 HA ARG 55 HA ARG 55 4.237 -0.967 -11.223 394 1HB ARG 55 1HB ARG 55 2.511 -0.029 -13.222 395 2HB ARG 55 2HB ARG 55 3.935 -0.626 -14.108 396 1HG ARG 55 1HG ARG 55 3.602 -2.801 -13.449 397 2HG ARG 55 2HG ARG 55 2.958 -2.330 -11.857 398 1HD ARG 55 1HD ARG 55 1.101 -1.326 -13.718 399 2HD ARG 55 2HD ARG 55 1.532 -2.937 -14.331 400 HE ARG 55 HE ARG 55 0.047 -2.308 -11.899 401 1HH1 ARG 55 1HH1 ARG 55 -0.168 -5.729 -11.067 402 2HH1 ARG 55 2HH1 ARG 55 -0.766 -4.123 -10.721 403 1HH2 ARG 55 1HH2 ARG 55 1.442 -6.040 -12.710 404 2HH2 ARG 55 2HH2 ARG 55 2.057 -4.666 -13.602 405 H ASN 56 H ASN 56 5.205 1.306 -13.863 406 HA ASN 56 HA ASN 56 7.968 0.226 -13.585 407 1HB ASN 56 1HB ASN 56 6.485 1.469 -15.926 408 2HB ASN 56 2HB ASN 56 8.232 1.144 -15.927 409 1HD2 ASN 56 1HD2 ASN 56 5.969 -0.008 -17.567 410 2HD2 ASN 56 2HD2 ASN 56 6.089 -1.740 -17.347 411 H LEU 57 H LEU 57 9.703 1.651 -13.412 412 HA LEU 57 HA LEU 57 9.005 4.281 -12.338 413 1HB LEU 57 1HB LEU 57 10.700 2.967 -11.198 414 2HB LEU 57 2HB LEU 57 11.640 2.806 -12.701 415 HG LEU 57 HG LEU 57 12.062 5.199 -12.762 416 1HD1 LEU 57 1HD1 LEU 57 11.087 6.110 -10.256 417 2HD1 LEU 57 2HD1 LEU 57 10.527 6.591 -11.875 418 3HD1 LEU 57 3HD1 LEU 57 9.739 5.240 -11.026 419 1HD2 LEU 57 1HD2 LEU 57 12.623 5.012 -9.918 420 2HD2 LEU 57 2HD2 LEU 57 12.952 3.454 -10.714 421 3HD2 LEU 57 3HD2 LEU 57 13.752 4.936 -11.292 422 H SER 58 H SER 58 10.780 2.899 -15.134 423 HA SER 58 HA SER 58 11.699 5.326 -16.231 424 1HB SER 58 1HB SER 58 10.949 3.513 -18.326 425 2HB SER 58 2HB SER 58 12.571 3.845 -17.673 426 HG SER 58 HG SER 58 11.817 1.625 -17.483 427 H ASP 59 H ASP 59 8.611 3.551 -16.717 428 HA ASP 59 HA ASP 59 7.588 5.908 -18.212 429 1HB ASP 59 1HB ASP 59 7.518 3.518 -19.163 430 2HB ASP 59 2HB ASP 59 6.274 3.192 -17.937 431 HA PRO 60 HA PRO 60 5.142 7.037 -14.731 432 1HB PRO 60 1HB PRO 60 3.284 8.611 -15.954 433 2HB PRO 60 2HB PRO 60 5.015 9.075 -15.881 434 1HG PRO 60 1HG PRO 60 3.584 7.669 -18.153 435 2HG PRO 60 2HG PRO 60 4.598 9.145 -18.254 436 1HD PRO 60 1HD PRO 60 5.625 6.676 -18.781 437 2HD PRO 60 2HD PRO 60 6.586 7.884 -17.876 438 H ARG 61 H ARG 61 4.707 4.401 -15.499 439 HA ARG 61 HA ARG 61 1.950 3.966 -16.263 440 1HB ARG 61 1HB ARG 61 4.360 2.408 -15.786 441 2HB ARG 61 2HB ARG 61 2.953 1.660 -14.992 442 1HG ARG 61 1HG ARG 61 2.494 2.701 -17.748 443 2HG ARG 61 2HG ARG 61 3.564 1.284 -17.619 444 1HD ARG 61 1HD ARG 61 1.821 0.146 -16.233 445 2HD ARG 61 2HD ARG 61 0.747 1.537 -16.490 446 HE ARG 61 HE ARG 61 0.375 0.846 -18.689 447 1HH1 ARG 61 1HH1 ARG 61 1.587 -2.075 -20.252 448 2HH1 ARG 61 2HH1 ARG 61 0.452 -0.749 -20.360 449 1HH2 ARG 61 1HH2 ARG 61 3.015 -2.234 -18.430 450 2HH2 ARG 61 2HH2 ARG 61 2.957 -1.028 -17.164 451 H LEU 62 H LEU 62 0.939 5.414 -14.668 452 HA LEU 62 HA LEU 62 1.124 4.727 -11.854 453 1HB LEU 62 1HB LEU 62 -0.044 6.812 -13.528 454 2HB LEU 62 2HB LEU 62 -1.184 6.265 -12.274 455 HG LEU 62 HG LEU 62 0.638 8.149 -11.758 456 1HD1 LEU 62 1HD1 LEU 62 0.224 5.865 -9.794 457 2HD1 LEU 62 2HD1 LEU 62 0.423 7.597 -9.434 458 3HD1 LEU 62 3HD1 LEU 62 -1.066 7.017 -10.217 459 1HD2 LEU 62 1HD2 LEU 62 2.730 7.348 -11.026 460 2HD2 LEU 62 2HD2 LEU 62 2.149 5.670 -10.900 461 3HD2 LEU 62 3HD2 LEU 62 2.432 6.397 -12.501 462 H GLU 63 H GLU 63 -0.109 3.327 -10.713 463 HA GLU 63 HA GLU 63 -2.573 2.286 -12.008 464 1HB GLU 63 1HB GLU 63 -0.392 0.627 -10.682 465 2HB GLU 63 2HB GLU 63 -1.949 0.008 -11.282 466 1HG GLU 63 1HG GLU 63 0.290 1.279 -12.903 467 2HG GLU 63 2HG GLU 63 -0.291 -0.398 -12.993 468 H THR 64 H THR 64 -4.280 2.011 -10.631 469 HA THR 64 HA THR 64 -3.724 2.567 -7.754 470 HB THR 64 HB THR 64 -6.174 3.362 -7.806 471 HG1 THR 64 1HG THR 64 -5.610 3.650 -10.561 472 1HG2 THR 64 1HG2 THR 64 -3.694 4.631 -8.437 473 2HG2 THR 64 2HG2 THR 64 -4.928 5.322 -9.518 474 3HG2 THR 64 3HG2 THR 64 -5.160 5.374 -7.754 475 H ILE 65 H ILE 65 -4.689 1.266 -6.210 476 HA ILE 65 HA ILE 65 -6.415 -0.939 -7.188 477 HB ILE 65 HB ILE 65 -3.936 -1.602 -7.023 478 1HG1 ILE 65 1HG1 ILE 65 -5.955 -3.039 -5.246 479 2HG1 ILE 65 2HG1 ILE 65 -5.845 -3.206 -7.015 480 1HG2 ILE 65 1HG2 ILE 65 -3.645 -0.257 -4.865 481 2HG2 ILE 65 2HG2 ILE 65 -4.555 -1.549 -4.046 482 3HG2 ILE 65 3HG2 ILE 65 -3.003 -1.917 -4.835 483 1HD1 ILE 65 1HD1 ILE 65 -4.528 -5.002 -6.368 484 2HD1 ILE 65 2HD1 ILE 65 -3.286 -3.729 -6.445 485 3HD1 ILE 65 3HD1 ILE 65 -3.982 -4.200 -4.876 486 H THR 66 H THR 66 -8.178 -1.165 -5.933 487 HA THR 66 HA THR 66 -8.148 0.215 -3.302 488 HB THR 66 HB THR 66 -10.399 -0.635 -5.161 489 HG1 THR 66 1HG THR 66 -10.589 1.519 -5.472 490 1HG2 THR 66 1HG2 THR 66 -11.772 0.711 -3.431 491 2HG2 THR 66 2HG2 THR 66 -11.269 -0.932 -2.966 492 3HG2 THR 66 3HG2 THR 66 -10.386 0.480 -2.337 493 H LEU 67 H LEU 67 -8.071 -0.976 -1.497 494 HA LEU 67 HA LEU 67 -8.512 -3.891 -1.735 495 1HB LEU 67 1HB LEU 67 -7.403 -2.267 0.586 496 2HB LEU 67 2HB LEU 67 -7.330 -4.033 0.375 497 HG LEU 67 HG LEU 67 -6.206 -2.250 -1.780 498 1HD1 LEU 67 1HD1 LEU 67 -4.098 -2.044 -0.649 499 2HD1 LEU 67 2HD1 LEU 67 -5.337 -1.497 0.506 500 3HD1 LEU 67 3HD1 LEU 67 -4.625 -3.120 0.668 501 1HD2 LEU 67 1HD2 LEU 67 -4.721 -4.625 -0.923 502 2HD2 LEU 67 2HD2 LEU 67 -6.412 -5.009 -1.322 503 3HD2 LEU 67 3HD2 LEU 67 -5.372 -4.215 -2.528 504 H GLN 68 H GLN 68 -10.343 -4.819 -1.036 505 HA GLN 68 HA GLN 68 -12.355 -3.159 0.280 506 1HB GLN 68 1HB GLN 68 -12.337 -6.071 -0.607 507 2HB GLN 68 2HB GLN 68 -13.756 -5.204 0.028 508 1HG GLN 68 1HG GLN 68 -12.266 -3.889 -2.202 509 2HG GLN 68 2HG GLN 68 -13.180 -5.355 -2.614 510 1HE2 GLN 68 1HE2 GLN 68 -13.450 -2.144 -1.034 511 2HE2 GLN 68 2HE2 GLN 68 -15.150 -1.914 -1.385 512 H LYS 69 H LYS 69 -13.676 -4.587 2.042 513 HA LYS 69 HA LYS 69 -12.115 -4.529 4.382 514 1HB LYS 69 1HB LYS 69 -14.594 -6.228 3.949 515 2HB LYS 69 2HB LYS 69 -14.025 -5.485 5.463 516 1HG LYS 69 1HG LYS 69 -15.255 -3.659 4.978 517 2HG LYS 69 2HG LYS 69 -14.222 -3.383 3.555 518 1HD LYS 69 1HD LYS 69 -15.971 -5.491 2.837 519 2HD LYS 69 2HD LYS 69 -16.983 -4.288 3.671 520 1HE LYS 69 1HE LYS 69 -16.501 -2.610 2.126 521 2HE LYS 69 2HE LYS 69 -14.967 -3.359 1.635 522 1HZ LYS 69 1HZ LYS 69 -17.677 -4.235 0.944 523 2HZ LYS 69 2HZ LYS 69 -16.512 -3.664 -0.074 524 3HZ LYS 69 3HZ LYS 69 -16.326 -5.135 0.648 525 H TRP 70 H TRP 70 -10.625 -5.877 5.200 526 HA TRP 70 HA TRP 70 -9.344 -7.748 5.508 527 1HB TRP 70 1HB TRP 70 -11.758 -9.297 4.539 528 2HB TRP 70 2HB TRP 70 -10.449 -9.877 5.578 529 HD1 TRP 70 HD TRP 70 -13.873 -8.686 5.749 530 HE1 TRP 70 1HE TRP 70 -14.566 -8.028 8.110 531 HE3 TRP 70 3HE TRP 70 -9.244 -8.493 7.926 532 HZ2 TRP 70 2HZ TRP 70 -13.277 -7.481 10.643 533 HZ3 TRP 70 3HZ TRP 70 -9.017 -7.901 10.310 534 HH2 TRP 70 HH TRP 70 -11.018 -7.393 11.679 535 H GLY 71 H GLY 71 -9.470 -6.354 2.875 536 1HA GLY 71 1HA GLY 71 -9.077 -8.520 0.926 537 2HA GLY 71 2HA GLY 71 -9.022 -6.770 0.613 538 H SER 72 H SER 72 -7.094 -8.800 -0.258 539 HA SER 72 HA SER 72 -4.690 -7.601 0.998 540 1HB SER 72 1HB SER 72 -4.480 -10.470 0.271 541 2HB SER 72 2HB SER 72 -3.802 -9.588 1.660 542 HG SER 72 HG SER 72 -5.777 -11.183 1.781 543 H TRP 73 H TRP 73 -2.756 -7.812 -0.380 544 HA TRP 73 HA TRP 73 -3.484 -8.194 -3.245 545 1HB TRP 73 1HB TRP 73 -3.238 -5.792 -2.484 546 2HB TRP 73 2HB TRP 73 -1.542 -6.151 -2.135 547 HD1 TRP 73 HD TRP 73 -3.211 -7.569 -5.249 548 HE1 TRP 73 1HE TRP 73 -2.191 -6.531 -7.339 549 HE3 TRP 73 3HE TRP 73 -0.305 -3.985 -3.035 550 HZ2 TRP 73 2HZ TRP 73 -0.337 -4.404 -7.984 551 HZ3 TRP 73 3HZ TRP 73 1.072 -2.474 -4.417 552 HH2 TRP 73 HH TRP 73 1.068 -2.670 -6.887 553 H ASN 74 H ASN 74 -2.076 -9.384 -4.462 554 HA ASN 74 HA ASN 74 0.563 -10.042 -3.290 555 1HB ASN 74 1HB ASN 74 0.192 -12.439 -3.786 556 2HB ASN 74 2HB ASN 74 -0.937 -11.830 -2.556 557 1HD2 ASN 74 1HD2 ASN 74 -1.841 -14.055 -3.563 558 2HD2 ASN 74 2HD2 ASN 74 -3.058 -13.818 -4.799 559 HA PRO 75 HA PRO 75 0.658 -9.038 -7.810 560 1HB PRO 75 1HB PRO 75 2.668 -7.202 -7.692 561 2HB PRO 75 2HB PRO 75 0.981 -6.786 -7.249 562 1HG PRO 75 1HG PRO 75 3.223 -7.604 -5.380 563 2HG PRO 75 2HG PRO 75 2.172 -6.156 -5.250 564 1HD PRO 75 1HD PRO 75 1.618 -8.442 -3.874 565 2HD PRO 75 2HD PRO 75 0.299 -7.490 -4.621 566 H GLY 76 H GLY 76 3.888 -8.411 -6.513 567 1HA GLY 76 1HA GLY 76 5.153 -10.784 -6.320 568 2HA GLY 76 2HA GLY 76 4.937 -10.655 -8.080 569 H HIS 77 H HIS 77 5.993 -8.627 -5.283 570 HA HIS 77 HA HIS 77 7.794 -7.235 -5.044 571 1HB HIS 77 1HB HIS 77 9.293 -8.929 -5.651 572 2HB HIS 77 2HB HIS 77 8.703 -8.987 -7.322 573 HD1 HIS 77 1HD HIS 77 9.460 -5.518 -6.058 574 HD2 HIS 77 2HD HIS 77 11.365 -8.704 -8.064 575 HE1 HIS 77 1HE HIS 77 11.600 -4.552 -7.104 576 HE2 HIS 77 2HE HIS 77 12.748 -6.496 -8.320 577 H ILE 78 H ILE 78 6.633 -5.334 -5.429 578 HA ILE 78 HA ILE 78 6.364 -4.401 -8.208 579 HB ILE 78 HB ILE 78 5.525 -3.143 -5.566 580 1HG1 ILE 78 1HG1 ILE 78 4.530 -5.445 -6.568 581 2HG1 ILE 78 2HG1 ILE 78 3.505 -4.234 -5.761 582 1HG2 ILE 78 1HG2 ILE 78 3.954 -1.915 -7.223 583 2HG2 ILE 78 2HG2 ILE 78 5.658 -1.403 -7.173 584 3HG2 ILE 78 3HG2 ILE 78 5.084 -2.457 -8.487 585 1HD1 ILE 78 1HD1 ILE 78 2.551 -3.525 -7.736 586 2HD1 ILE 78 2HD1 ILE 78 4.020 -3.854 -8.686 587 3HD1 ILE 78 3HD1 ILE 78 2.943 -5.192 -8.220 588 H HIS 79 H HIS 79 7.131 -2.250 -8.829 589 HA HIS 79 HA HIS 79 9.871 -1.877 -8.328 590 1HB HIS 79 1HB HIS 79 9.040 -0.920 -10.290 591 2HB HIS 79 2HB HIS 79 7.660 -0.174 -9.463 592 HD1 HIS 79 1HD HIS 79 11.465 0.240 -8.746 593 HD2 HIS 79 2HD HIS 79 7.967 2.391 -9.717 594 HE1 HIS 79 1HE HIS 79 12.103 2.730 -8.721 595 HE2 HIS 79 2HE HIS 79 9.971 4.025 -9.312 596 H GLU 80 H GLU 80 7.458 0.641 -7.473 597 HA GLU 80 HA GLU 80 8.273 0.650 -4.683 598 1HB GLU 80 1HB GLU 80 10.173 1.811 -5.865 599 2HB GLU 80 2HB GLU 80 9.007 3.038 -6.416 600 1HG GLU 80 1HG GLU 80 8.468 2.833 -3.696 601 2HG GLU 80 2HG GLU 80 10.235 2.660 -3.767 602 H ILE 81 H ILE 81 6.897 1.937 -3.395 603 HA ILE 81 HA ILE 81 4.324 2.499 -4.648 604 HB ILE 81 HB ILE 81 5.361 2.745 -1.798 605 1HG1 ILE 81 1HG1 ILE 81 5.100 0.445 -2.900 606 2HG1 ILE 81 2HG1 ILE 81 4.165 0.705 -1.408 607 1HG2 ILE 81 1HG2 ILE 81 2.798 2.816 -1.361 608 2HG2 ILE 81 2HG2 ILE 81 3.588 4.309 -1.922 609 3HG2 ILE 81 3HG2 ILE 81 2.665 3.306 -3.066 610 1HD1 ILE 81 1HD1 ILE 81 3.148 -0.127 -3.888 611 2HD1 ILE 81 2HD1 ILE 81 2.200 0.457 -2.499 612 3HD1 ILE 81 3HD1 ILE 81 2.694 1.591 -3.779 613 H LEU 82 H LEU 82 3.411 4.488 -5.025 614 HA LEU 82 HA LEU 82 5.273 6.765 -4.994 615 1HB LEU 82 1HB LEU 82 2.429 6.550 -6.053 616 2HB LEU 82 2HB LEU 82 3.601 7.846 -6.392 617 HG LEU 82 HG LEU 82 3.673 4.948 -7.282 618 1HD1 LEU 82 1HD1 LEU 82 3.049 7.496 -8.463 619 2HD1 LEU 82 2HD1 LEU 82 4.525 6.866 -9.231 620 3HD1 LEU 82 3HD1 LEU 82 3.037 5.889 -9.228 621 1HD2 LEU 82 1HD2 LEU 82 5.974 5.202 -7.933 622 2HD2 LEU 82 2HD2 LEU 82 5.973 6.927 -7.496 623 3HD2 LEU 82 3HD2 LEU 82 5.875 5.687 -6.223 624 H SER 83 H SER 83 1.813 6.269 -4.073 625 HA SER 83 HA SER 83 2.329 7.746 -1.571 626 1HB SER 83 1HB SER 83 1.611 9.320 -3.514 627 2HB SER 83 2HB SER 83 0.014 8.555 -3.340 628 HG SER 83 HG SER 83 -0.256 9.531 -1.494 629 H ILE 84 H ILE 84 0.235 7.746 -0.210 630 HA ILE 84 HA ILE 84 -1.329 5.273 -0.745 631 HB ILE 84 HB ILE 84 0.174 6.082 1.757 632 1HG1 ILE 84 1HG1 ILE 84 -0.100 3.484 0.183 633 2HG1 ILE 84 2HG1 ILE 84 1.288 4.597 0.117 634 1HG2 ILE 84 1HG2 ILE 84 -1.123 4.097 2.782 635 2HG2 ILE 84 2HG2 ILE 84 -2.001 5.636 2.615 636 3HG2 ILE 84 3HG2 ILE 84 -2.280 4.321 1.448 637 1HD1 ILE 84 1HD1 ILE 84 1.406 4.289 2.690 638 2HD1 ILE 84 2HD1 ILE 84 0.342 2.884 2.435 639 3HD1 ILE 84 3HD1 ILE 84 1.950 2.934 1.673 640 H ARG 85 H ARG 85 -3.476 5.592 -0.604 641 HA ARG 85 HA ARG 85 -4.402 8.012 0.873 642 1HB ARG 85 1HB ARG 85 -4.592 8.365 -1.539 643 2HB ARG 85 2HB ARG 85 -5.446 6.814 -1.724 644 1HG ARG 85 1HG ARG 85 -6.653 8.551 0.324 645 2HG ARG 85 2HG ARG 85 -6.650 9.288 -1.296 646 1HD ARG 85 1HD ARG 85 -7.497 6.411 -0.920 647 2HD ARG 85 2HD ARG 85 -8.643 7.732 -0.608 648 HE ARG 85 HE ARG 85 -7.713 6.793 -3.188 649 1HH1 ARG 85 1HH1 ARG 85 -9.312 9.447 -4.873 650 2HH1 ARG 85 2HH1 ARG 85 -8.543 7.886 -5.047 651 1HH2 ARG 85 1HH2 ARG 85 -9.499 10.421 -2.775 652 2HH2 ARG 85 2HH2 ARG 85 -8.871 9.594 -1.367 653 H ILE 86 H ILE 86 -5.907 7.660 2.410 654 HA ILE 86 HA ILE 86 -7.160 4.955 2.476 655 HB ILE 86 HB ILE 86 -6.559 6.821 4.802 656 1HG1 ILE 86 1HG1 ILE 86 -5.071 4.406 3.692 657 2HG1 ILE 86 2HG1 ILE 86 -4.454 6.066 3.873 658 1HG2 ILE 86 1HG2 ILE 86 -7.746 5.359 6.046 659 2HG2 ILE 86 2HG2 ILE 86 -8.301 4.615 4.528 660 3HG2 ILE 86 3HG2 ILE 86 -6.861 3.977 5.357 661 1HD1 ILE 86 1HD1 ILE 86 -5.491 5.147 6.412 662 2HD1 ILE 86 2HD1 ILE 86 -4.342 3.946 5.774 663 3HD1 ILE 86 3HD1 ILE 86 -3.831 5.637 5.996 664 H TYR 87 H TYR 87 -9.360 4.819 2.647 665 HA TYR 87 HA TYR 87 -10.848 7.303 2.213 666 1HB TYR 87 1HB TYR 87 -11.583 4.365 2.287 667 2HB TYR 87 2HB TYR 87 -12.780 5.653 2.074 668 HD1 TYR 87 1HD TYR 87 -13.448 6.034 -0.099 669 HD2 TYR 87 2HD TYR 87 -9.417 4.748 0.641 670 HE1 TYR 87 1HE TYR 87 -12.993 6.056 -2.537 671 HE2 TYR 87 2HE TYR 87 -8.962 4.771 -1.796 672 HH TYR 87 HH TYR 87 -10.316 6.255 -3.968 Start of MODEL 12 1 H MET 1 H MET 1 -3.758 13.914 7.144 2 HA MET 1 HA MET 1 -2.869 13.125 9.293 3 1HB MET 1 1HB MET 1 -5.693 12.491 8.501 4 2HB MET 1 2HB MET 1 -5.109 11.908 10.078 5 1HG MET 1 1HG MET 1 -5.681 13.971 10.809 6 2HG MET 1 2HG MET 1 -4.140 14.458 10.082 7 1HE MET 1 1HE MET 1 -7.388 15.821 10.646 8 2HE MET 1 2HE MET 1 -5.840 16.698 10.650 9 3HE MET 1 3HE MET 1 -7.134 17.183 9.529 10 H ILE 2 H ILE 2 -1.939 11.293 7.134 11 HA ILE 2 HA ILE 2 -2.419 8.634 8.329 12 HB ILE 2 HB ILE 2 -2.491 9.079 5.822 13 1HG1 ILE 2 1HG1 ILE 2 -0.383 7.103 6.792 14 2HG1 ILE 2 2HG1 ILE 2 -2.139 6.825 6.869 15 1HG2 ILE 2 1HG2 ILE 2 0.508 8.967 5.861 16 2HG2 ILE 2 2HG2 ILE 2 -0.588 9.686 4.657 17 3HG2 ILE 2 3HG2 ILE 2 -0.268 10.536 6.187 18 1HD1 ILE 2 1HD1 ILE 2 -1.331 5.769 4.850 19 2HD1 ILE 2 2HD1 ILE 2 -2.216 7.236 4.364 20 3HD1 ILE 2 3HD1 ILE 2 -0.436 7.233 4.379 21 H ASN 3 H ASN 3 -0.848 7.444 9.369 22 HA ASN 3 HA ASN 3 1.861 8.627 9.567 23 1HB ASN 3 1HB ASN 3 -0.174 8.491 11.685 24 2HB ASN 3 2HB ASN 3 1.358 7.710 12.135 25 1HD2 ASN 3 1HD2 ASN 3 2.649 9.062 13.239 26 2HD2 ASN 3 2HD2 ASN 3 2.863 10.768 12.906 27 H ARG 4 H ARG 4 3.483 7.095 10.252 28 HA ARG 4 HA ARG 4 2.904 4.416 9.277 29 1HB ARG 4 1HB ARG 4 5.118 6.014 9.275 30 2HB ARG 4 2HB ARG 4 5.467 4.967 10.671 31 1HG ARG 4 1HG ARG 4 4.589 3.085 8.947 32 2HG ARG 4 2HG ARG 4 5.209 4.269 7.771 33 1HD ARG 4 1HD ARG 4 7.324 3.656 8.223 34 2HD ARG 4 2HD ARG 4 7.089 4.034 9.943 35 HE ARG 4 HE ARG 4 6.943 1.395 8.665 36 1HH1 ARG 4 1HH1 ARG 4 6.418 -0.111 11.811 37 2HH1 ARG 4 2HH1 ARG 4 6.782 -0.391 10.123 38 1HH2 ARG 4 1HH2 ARG 4 6.097 2.052 12.586 39 2HH2 ARG 4 2HH2 ARG 4 6.219 3.404 11.482 40 H THR 5 H THR 5 1.888 2.963 10.530 41 HA THR 5 HA THR 5 2.574 2.951 13.433 42 HB THR 5 HB THR 5 0.235 3.628 12.966 43 HG1 THR 5 1HG THR 5 -0.519 2.329 14.497 44 1HG2 THR 5 1HG2 THR 5 -0.439 2.651 10.969 45 2HG2 THR 5 2HG2 THR 5 0.357 1.102 11.337 46 3HG2 THR 5 3HG2 THR 5 -1.179 1.524 12.132 47 H ASP 6 H ASP 6 2.804 0.900 14.445 48 HA ASP 6 HA ASP 6 3.706 -1.183 12.562 49 1HB ASP 6 1HB ASP 6 4.052 -0.640 15.515 50 2HB ASP 6 2HB ASP 6 4.436 -2.232 14.825 51 H CYS 7 H CYS 7 0.868 -0.656 12.713 52 HA CYS 7 HA CYS 7 -1.134 -1.723 13.067 53 1HB CYS 7 1HB CYS 7 -0.394 -4.430 13.167 54 2HB CYS 7 2HB CYS 7 -0.914 -3.506 11.748 55 H ASN 8 H ASN 8 -1.641 -1.033 15.162 56 HA ASN 8 HA ASN 8 -0.570 -2.465 17.465 57 1HB ASN 8 1HB ASN 8 -2.697 -0.322 17.128 58 2HB ASN 8 2HB ASN 8 -2.186 -0.978 18.698 59 1HD2 ASN 8 1HD2 ASN 8 -1.026 0.710 15.757 60 2HD2 ASN 8 2HD2 ASN 8 0.321 1.516 16.532 61 H GLU 9 H GLU 9 -2.917 -3.135 15.152 62 HA GLU 9 HA GLU 9 -4.073 -5.208 16.878 63 1HB GLU 9 1HB GLU 9 -6.370 -4.551 16.474 64 2HB GLU 9 2HB GLU 9 -5.510 -3.171 17.199 65 1HG GLU 9 1HG GLU 9 -5.307 -2.066 15.089 66 2HG GLU 9 2HG GLU 9 -5.790 -3.524 14.196 67 H ASN 10 H ASN 10 -5.598 -6.624 15.521 68 HA ASN 10 HA ASN 10 -4.209 -7.211 13.020 69 1HB ASN 10 1HB ASN 10 -6.255 -8.525 14.772 70 2HB ASN 10 2HB ASN 10 -6.180 -9.010 13.065 71 1HD2 ASN 10 1HD2 ASN 10 -5.555 -11.132 14.093 72 2HD2 ASN 10 2HD2 ASN 10 -3.861 -11.394 14.445 73 H SER 11 H SER 11 -4.782 -5.201 11.903 74 HA SER 11 HA SER 11 -6.930 -5.548 10.107 75 1HB SER 11 1HB SER 11 -8.649 -4.202 10.890 76 2HB SER 11 2HB SER 11 -8.073 -4.917 12.414 77 HG SER 11 HG SER 11 -6.573 -2.947 12.292 78 H TYR 12 H TYR 12 -7.485 -2.568 10.042 79 HA TYR 12 HA TYR 12 -6.633 -0.772 8.904 80 1HB TYR 12 1HB TYR 12 -4.296 -1.640 10.610 81 2HB TYR 12 2HB TYR 12 -4.176 -0.244 9.525 82 HD1 TYR 12 1HD TYR 12 -6.837 0.988 9.778 83 HD2 TYR 12 2HD TYR 12 -4.306 -0.765 12.773 84 HE1 TYR 12 1HE TYR 12 -7.890 2.421 11.507 85 HE2 TYR 12 2HE TYR 12 -5.359 0.668 14.502 86 HH TYR 12 HH TYR 12 -6.990 3.342 14.017 87 H LEU 13 H LEU 13 -4.592 -0.079 7.457 88 HA LEU 13 HA LEU 13 -4.338 -2.262 5.491 89 1HB LEU 13 1HB LEU 13 -4.947 -0.356 4.347 90 2HB LEU 13 2HB LEU 13 -4.109 0.726 5.485 91 HG LEU 13 HG LEU 13 -1.965 -0.591 4.522 92 1HD1 LEU 13 1HD1 LEU 13 -4.139 -0.794 2.417 93 2HD1 LEU 13 2HD1 LEU 13 -2.417 -0.725 1.970 94 3HD1 LEU 13 3HD1 LEU 13 -3.020 -2.057 2.985 95 1HD2 LEU 13 1HD2 LEU 13 -1.561 1.562 3.995 96 2HD2 LEU 13 2HD2 LEU 13 -2.545 1.358 2.526 97 3HD2 LEU 13 3HD2 LEU 13 -3.303 1.924 4.033 98 H GLU 14 H GLU 14 -2.442 -3.266 4.979 99 HA GLU 14 HA GLU 14 0.057 -2.190 6.157 100 1HB GLU 14 1HB GLU 14 -0.635 -5.130 6.349 101 2HB GLU 14 2HB GLU 14 0.622 -4.219 7.219 102 1HG GLU 14 1HG GLU 14 -1.008 -3.075 8.556 103 2HG GLU 14 2HG GLU 14 -2.345 -3.644 7.534 104 H ILE 15 H ILE 15 1.898 -2.627 4.951 105 HA ILE 15 HA ILE 15 1.510 -4.261 2.496 106 HB ILE 15 HB ILE 15 2.919 -1.568 2.609 107 1HG1 ILE 15 1HG1 ILE 15 0.309 -2.131 1.189 108 2HG1 ILE 15 2HG1 ILE 15 0.314 -1.670 2.908 109 1HG2 ILE 15 1HG2 ILE 15 2.526 -3.730 0.588 110 2HG2 ILE 15 2HG2 ILE 15 2.326 -2.060 0.005 111 3HG2 ILE 15 3HG2 ILE 15 3.856 -2.561 0.764 112 1HD1 ILE 15 1HD1 ILE 15 0.098 0.368 1.641 113 2HD1 ILE 15 2HD1 ILE 15 1.768 0.318 2.254 114 3HD1 ILE 15 3HD1 ILE 15 1.431 -0.095 0.556 115 H HIS 16 H HIS 16 3.006 -5.822 2.402 116 HA HIS 16 HA HIS 16 5.610 -5.319 3.768 117 1HB HIS 16 1HB HIS 16 5.684 -7.717 4.229 118 2HB HIS 16 2HB HIS 16 4.218 -6.996 4.917 119 HD1 HIS 16 1HD HIS 16 5.316 -9.674 2.519 120 HD2 HIS 16 2HD HIS 16 1.858 -7.465 3.501 121 HE1 HIS 16 1HE HIS 16 3.326 -10.921 1.474 122 HE2 HIS 16 2HE HIS 16 1.232 -9.570 2.077 123 H ASN 17 H ASN 17 6.980 -4.774 2.140 124 HA ASN 17 HA ASN 17 6.832 -6.333 -0.380 125 1HB ASN 17 1HB ASN 17 8.357 -4.539 -1.225 126 2HB ASN 17 2HB ASN 17 6.788 -3.927 -0.657 127 1HD2 ASN 17 1HD2 ASN 17 6.662 -2.837 1.402 128 2HD2 ASN 17 2HD2 ASN 17 8.088 -2.110 2.111 129 H ASN 18 H ASN 18 9.378 -6.189 -1.314 130 HA ASN 18 HA ASN 18 11.375 -7.305 -1.223 131 1HB ASN 18 1HB ASN 18 11.097 -6.079 1.505 132 2HB ASN 18 2HB ASN 18 12.430 -7.217 1.209 133 1HD2 ASN 18 1HD2 ASN 18 12.217 -4.155 1.614 134 2HD2 ASN 18 2HD2 ASN 18 13.153 -3.498 0.290 135 H GLU 19 H GLU 19 9.057 -8.909 -1.072 136 HA GLU 19 HA GLU 19 8.457 -11.069 -0.617 137 1HB GLU 19 1HB GLU 19 11.385 -11.190 0.184 138 2HB GLU 19 2HB GLU 19 10.319 -12.615 0.149 139 1HG GLU 19 1HG GLU 19 9.807 -12.147 -2.240 140 2HG GLU 19 2HG GLU 19 10.922 -10.763 -2.194 141 H GLY 20 H GLY 20 8.250 -8.865 1.418 142 1HA GLY 20 1HA GLY 20 7.176 -8.863 3.488 143 2HA GLY 20 2HA GLY 20 7.521 -10.599 3.663 144 H ARG 21 H ARG 21 9.742 -7.852 2.996 145 HA ARG 21 HA ARG 21 11.388 -8.749 5.287 146 1HB ARG 21 1HB ARG 21 12.291 -8.375 2.902 147 2HB ARG 21 2HB ARG 21 12.088 -6.637 3.228 148 1HG ARG 21 1HG ARG 21 13.428 -8.143 5.400 149 2HG ARG 21 2HG ARG 21 14.336 -8.094 3.870 150 1HD ARG 21 1HD ARG 21 13.633 -5.527 3.934 151 2HD ARG 21 2HD ARG 21 13.499 -5.840 5.678 152 HE ARG 21 HE ARG 21 15.944 -5.724 4.083 153 1HH1 ARG 21 1HH1 ARG 21 17.898 -6.458 6.926 154 2HH1 ARG 21 2HH1 ARG 21 17.920 -5.900 5.269 155 1HH2 ARG 21 1HH2 ARG 21 15.885 -7.021 7.935 156 2HH2 ARG 21 2HH2 ARG 21 14.389 -6.887 7.038 157 H ASP 22 H ASP 22 9.857 -5.803 3.900 158 HA ASP 22 HA ASP 22 9.959 -4.630 6.640 159 1HB ASP 22 1HB ASP 22 10.490 -3.372 3.935 160 2HB ASP 22 2HB ASP 22 10.041 -2.403 5.355 161 H THR 23 H THR 23 7.953 -4.481 7.446 162 HA THR 23 HA THR 23 5.698 -4.239 5.529 163 HB THR 23 HB THR 23 5.749 -4.997 8.477 164 HG1 THR 23 1HG THR 23 6.589 -6.658 7.345 165 1HG2 THR 23 1HG2 THR 23 3.419 -5.812 6.949 166 2HG2 THR 23 2HG2 THR 23 3.502 -4.820 8.425 167 3HG2 THR 23 3HG2 THR 23 3.646 -4.051 6.826 168 H LEU 24 H LEU 24 4.081 -2.648 5.829 169 HA LEU 24 HA LEU 24 4.744 -0.488 7.756 170 1HB LEU 24 1HB LEU 24 3.850 0.144 4.942 171 2HB LEU 24 2HB LEU 24 4.679 1.188 6.121 172 HG LEU 24 HG LEU 24 6.373 -1.056 5.718 173 1HD1 LEU 24 1HD1 LEU 24 6.743 -0.734 3.198 174 2HD1 LEU 24 2HD1 LEU 24 5.295 -1.656 3.668 175 3HD1 LEU 24 3HD1 LEU 24 5.143 0.045 3.166 176 1HD2 LEU 24 1HD2 LEU 24 6.542 1.694 5.895 177 2HD2 LEU 24 2HD2 LEU 24 7.902 0.615 5.501 178 3HD2 LEU 24 3HD2 LEU 24 6.986 1.406 4.196 179 H CYS 25 H CYS 25 3.022 -0.397 9.071 180 HA CYS 25 HA CYS 25 0.345 -0.967 7.927 181 1HB CYS 25 1HB CYS 25 0.983 -0.579 10.846 182 2HB CYS 25 2HB CYS 25 -0.336 -1.499 10.104 183 H PHE 26 H PHE 26 -0.930 0.703 7.403 184 HA PHE 26 HA PHE 26 -0.353 3.329 8.683 185 1HB PHE 26 1HB PHE 26 -1.682 2.610 6.050 186 2HB PHE 26 2HB PHE 26 -1.545 4.255 6.694 187 HD1 PHE 26 1HD PHE 26 0.261 1.433 5.171 188 HD2 PHE 26 2HD PHE 26 0.601 5.416 6.741 189 HE1 PHE 26 1HE PHE 26 2.497 1.656 4.120 190 HE2 PHE 26 2HE PHE 26 2.836 5.640 5.690 191 HZ PHE 26 HZ PHE 26 3.784 3.760 4.379 192 H ALA 27 H ALA 27 -2.209 4.695 9.201 193 HA ALA 27 HA ALA 27 -4.771 3.243 9.505 194 1HB ALA 27 1HB ALA 27 -4.435 4.717 11.884 195 2HB ALA 27 2HB ALA 27 -4.427 2.946 11.706 196 3HB ALA 27 3HB ALA 27 -2.897 3.854 11.642 197 H ASN 28 H ASN 28 -6.443 4.906 10.479 198 HA ASN 28 HA ASN 28 -7.591 6.867 10.196 199 1HB ASN 28 1HB ASN 28 -4.735 7.822 10.014 200 2HB ASN 28 2HB ASN 28 -6.079 8.943 9.708 201 1HD2 ASN 28 1HD2 ASN 28 -4.516 9.605 11.791 202 2HD2 ASN 28 2HD2 ASN 28 -5.289 9.240 13.319 203 H ALA 29 H ALA 29 -8.633 7.972 8.527 204 HA ALA 29 HA ALA 29 -8.332 6.875 5.919 205 1HB ALA 29 1HB ALA 29 -10.147 8.245 5.343 206 2HB ALA 29 2HB ALA 29 -10.374 8.002 7.092 207 3HB ALA 29 3HB ALA 29 -9.672 9.522 6.489 208 H GLY 30 H GLY 30 -6.404 9.092 7.566 209 1HA GLY 30 1HA GLY 30 -5.777 11.171 5.920 210 2HA GLY 30 2HA GLY 30 -4.542 10.230 6.787 211 H THR 31 H THR 31 -4.191 11.514 4.214 212 HA THR 31 HA THR 31 -3.494 9.099 2.650 213 HB THR 31 HB THR 31 -5.093 11.484 1.656 214 HG1 THR 31 1HG THR 31 -6.632 10.052 1.517 215 1HG2 THR 31 1HG2 THR 31 -4.059 9.226 -0.075 216 2HG2 THR 31 2HG2 THR 31 -4.664 10.826 -0.566 217 3HG2 THR 31 3HG2 THR 31 -3.069 10.677 0.209 218 H MET 32 H MET 32 -1.369 9.186 2.262 219 HA MET 32 HA MET 32 -0.175 11.796 1.544 220 1HB MET 32 1HB MET 32 1.539 11.665 3.162 221 2HB MET 32 2HB MET 32 0.062 11.248 4.064 222 1HG MET 32 1HG MET 32 0.540 8.859 3.775 223 2HG MET 32 2HG MET 32 1.983 9.245 2.821 224 1HE MET 32 1HE MET 32 3.402 7.482 4.772 225 2HE MET 32 2HE MET 32 2.785 7.619 6.436 226 3HE MET 32 3HE MET 32 1.660 7.301 5.094 227 HA PRO 33 HA PRO 33 1.990 9.389 -1.417 228 1HB PRO 33 1HB PRO 33 4.301 10.793 -1.744 229 2HB PRO 33 2HB PRO 33 2.705 11.484 -2.183 230 1HG PRO 33 1HG PRO 33 4.229 11.879 0.408 231 2HG PRO 33 2HG PRO 33 3.547 13.150 -0.658 232 1HD PRO 33 1HD PRO 33 2.183 12.238 1.518 233 2HD PRO 33 2HD PRO 33 1.321 12.593 -0.010 234 H VAL 34 H VAL 34 3.044 7.482 -1.242 235 HA VAL 34 HA VAL 34 5.200 7.269 0.800 236 HB VAL 34 HB VAL 34 4.362 5.134 1.504 237 1HG1 VAL 34 1HG1 VAL 34 3.240 6.983 2.593 238 2HG1 VAL 34 2HG1 VAL 34 2.137 7.193 1.212 239 3HG1 VAL 34 3HG1 VAL 34 2.014 5.743 2.237 240 1HG2 VAL 34 1HG2 VAL 34 2.255 5.458 -0.676 241 2HG2 VAL 34 2HG2 VAL 34 3.647 4.351 -0.742 242 3HG2 VAL 34 3HG2 VAL 34 2.370 4.104 0.473 243 H ALA 35 H ALA 35 6.698 5.448 0.365 244 HA ALA 35 HA ALA 35 6.780 4.752 -2.530 245 1HB ALA 35 1HB ALA 35 9.430 4.844 -1.666 246 2HB ALA 35 2HB ALA 35 8.608 6.065 -2.666 247 3HB ALA 35 3HB ALA 35 8.686 6.268 -0.899 248 H ILE 36 H ILE 36 6.444 2.611 -2.647 249 HA ILE 36 HA ILE 36 7.940 0.889 -0.736 250 HB ILE 36 HB ILE 36 5.028 0.739 -1.571 251 1HG1 ILE 36 1HG1 ILE 36 5.646 0.135 1.185 252 2HG1 ILE 36 2HG1 ILE 36 6.443 1.659 0.728 253 1HG2 ILE 36 1HG2 ILE 36 4.925 -1.499 -0.717 254 2HG2 ILE 36 2HG2 ILE 36 6.298 -1.468 -1.849 255 3HG2 ILE 36 3HG2 ILE 36 6.591 -1.411 -0.094 256 1HD1 ILE 36 1HD1 ILE 36 3.988 1.975 -0.455 257 2HD1 ILE 36 2HD1 ILE 36 3.553 1.024 0.985 258 3HD1 ILE 36 3HD1 ILE 36 4.400 2.578 1.168 259 H TYR 37 H TYR 37 9.436 -0.131 -1.936 260 HA TYR 37 HA TYR 37 8.715 -0.883 -4.719 261 1HB TYR 37 1HB TYR 37 11.426 -0.813 -3.356 262 2HB TYR 37 2HB TYR 37 11.110 -1.066 -5.081 263 HD1 TYR 37 1HD TYR 37 10.915 1.423 -2.320 264 HD2 TYR 37 2HD TYR 37 10.792 0.764 -6.563 265 HE1 TYR 37 1HE TYR 37 11.048 3.869 -2.703 266 HE2 TYR 37 2HE TYR 37 10.926 3.211 -6.946 267 HH TYR 37 HH TYR 37 10.936 5.288 -5.979 268 H GLY 38 H GLY 38 8.872 -3.012 -5.429 269 1HA GLY 38 1HA GLY 38 9.040 -5.306 -5.276 270 2HA GLY 38 2HA GLY 38 9.957 -5.107 -3.765 271 H VAL 39 H VAL 39 6.602 -4.467 -4.950 272 HA VAL 39 HA VAL 39 5.513 -5.093 -2.317 273 HB VAL 39 HB VAL 39 4.161 -4.515 -4.983 274 1HG1 VAL 39 1HG1 VAL 39 2.740 -5.731 -3.336 275 2HG1 VAL 39 2HG1 VAL 39 3.097 -4.475 -2.126 276 3HG1 VAL 39 3HG1 VAL 39 2.180 -4.061 -3.595 277 1HG2 VAL 39 1HG2 VAL 39 4.794 -2.734 -2.590 278 2HG2 VAL 39 2HG2 VAL 39 5.585 -2.658 -4.183 279 3HG2 VAL 39 3HG2 VAL 39 3.860 -2.247 -4.025 280 H ASN 40 H ASN 40 5.219 -7.129 -1.642 281 HA ASN 40 HA ASN 40 4.849 -9.243 -3.693 282 1HB ASN 40 1HB ASN 40 5.847 -9.164 -0.850 283 2HB ASN 40 2HB ASN 40 5.215 -10.681 -1.528 284 1HD2 ASN 40 1HD2 ASN 40 7.148 -7.984 -2.951 285 2HD2 ASN 40 2HD2 ASN 40 8.468 -8.994 -3.501 286 H TRP 41 H TRP 41 3.427 -7.825 -0.730 287 HA TRP 41 HA TRP 41 0.782 -8.649 -1.582 288 1HB TRP 41 1HB TRP 41 1.525 -10.752 -0.636 289 2HB TRP 41 2HB TRP 41 2.089 -9.939 0.830 290 HD1 TRP 41 HD TRP 41 -0.157 -8.417 1.965 291 HE1 TRP 41 1HE TRP 41 -2.409 -9.399 2.636 292 HE3 TRP 41 3HE TRP 41 -0.100 -12.627 -0.945 293 HZ2 TRP 41 2HZ TRP 41 -4.002 -11.729 1.994 294 HZ3 TRP 41 3HZ TRP 41 -2.000 -14.201 -0.888 295 HH2 TRP 41 HH TRP 41 -3.953 -13.768 0.572 296 H VAL 42 H VAL 42 -0.873 -7.610 -0.367 297 HA VAL 42 HA VAL 42 0.085 -5.707 1.704 298 HB VAL 42 HB VAL 42 -1.500 -5.107 -0.810 299 1HG1 VAL 42 1HG1 VAL 42 -2.806 -4.076 0.896 300 2HG1 VAL 42 2HG1 VAL 42 -1.363 -3.617 1.832 301 3HG1 VAL 42 3HG1 VAL 42 -1.730 -2.789 0.300 302 1HG2 VAL 42 1HG2 VAL 42 0.415 -3.120 -0.041 303 2HG2 VAL 42 2HG2 VAL 42 1.201 -4.711 0.099 304 3HG2 VAL 42 3HG2 VAL 42 0.468 -4.213 -1.445 305 H GLU 43 H GLU 43 -1.279 -5.492 3.426 306 HA GLU 43 HA GLU 43 -3.667 -7.231 3.402 307 1HB GLU 43 1HB GLU 43 -1.951 -5.941 5.525 308 2HB GLU 43 2HB GLU 43 -3.584 -6.530 5.918 309 1HG GLU 43 1HG GLU 43 -2.079 -8.459 4.310 310 2HG GLU 43 2HG GLU 43 -1.238 -8.061 5.824 311 H SER 44 H SER 44 -5.698 -6.438 4.326 312 HA SER 44 HA SER 44 -6.061 -3.537 4.462 313 1HB SER 44 1HB SER 44 -7.661 -5.121 2.427 314 2HB SER 44 2HB SER 44 -7.598 -3.356 2.650 315 HG SER 44 HG SER 44 -5.742 -5.089 1.479 316 H GLY 45 H GLY 45 -6.576 -4.178 6.658 317 1HA GLY 45 1HA GLY 45 -8.385 -6.062 7.520 318 2HA GLY 45 2HA GLY 45 -8.197 -4.464 8.275 319 H ASN 46 H ASN 46 -10.599 -5.002 8.693 320 HA ASN 46 HA ASN 46 -12.458 -4.899 6.526 321 1HB ASN 46 1HB ASN 46 -13.066 -5.808 8.695 322 2HB ASN 46 2HB ASN 46 -12.728 -4.253 9.484 323 1HD2 ASN 46 1HD2 ASN 46 -14.545 -3.194 10.022 324 2HD2 ASN 46 2HD2 ASN 46 -16.016 -3.145 9.074 325 H ASN 47 H ASN 47 -10.833 -3.002 5.678 326 HA ASN 47 HA ASN 47 -12.477 -0.583 5.904 327 1HB ASN 47 1HB ASN 47 -10.227 0.722 6.213 328 2HB ASN 47 2HB ASN 47 -11.044 0.034 7.633 329 1HD2 ASN 47 1HD2 ASN 47 -8.474 -0.585 5.208 330 2HD2 ASN 47 2HD2 ASN 47 -7.496 -1.607 6.240 331 H VAL 48 H VAL 48 -12.332 0.729 4.080 332 HA VAL 48 HA VAL 48 -11.001 -0.547 1.783 333 HB VAL 48 HB VAL 48 -12.798 1.903 1.839 334 1HG1 VAL 48 1HG1 VAL 48 -12.986 1.593 -0.471 335 2HG1 VAL 48 2HG1 VAL 48 -11.291 1.129 -0.191 336 3HG1 VAL 48 3HG1 VAL 48 -12.538 -0.127 -0.379 337 1HG2 VAL 48 1HG2 VAL 48 -13.406 -0.859 2.462 338 2HG2 VAL 48 2HG2 VAL 48 -14.503 0.541 2.404 339 3HG2 VAL 48 3HG2 VAL 48 -14.191 -0.405 0.930 340 H VAL 49 H VAL 49 -9.059 0.097 1.077 341 HA VAL 49 HA VAL 49 -8.274 2.926 1.522 342 HB VAL 49 HB VAL 49 -6.716 0.424 2.250 343 1HG1 VAL 49 1HG1 VAL 49 -5.734 2.835 1.044 344 2HG1 VAL 49 2HG1 VAL 49 -5.254 2.845 2.758 345 3HG1 VAL 49 3HG1 VAL 49 -4.798 1.477 1.715 346 1HG2 VAL 49 1HG2 VAL 49 -8.054 1.216 4.066 347 2HG2 VAL 49 2HG2 VAL 49 -6.418 1.850 4.369 348 3HG2 VAL 49 3HG2 VAL 49 -7.676 2.917 3.699 349 H THR 50 H THR 50 -7.237 3.847 -0.199 350 HA THR 50 HA THR 50 -6.969 2.135 -2.597 351 HB THR 50 HB THR 50 -7.329 5.071 -2.055 352 HG1 THR 50 1HG THR 50 -8.987 3.456 -2.647 353 1HG2 THR 50 1HG2 THR 50 -5.259 4.700 -3.530 354 2HG2 THR 50 2HG2 THR 50 -6.366 3.986 -4.727 355 3HG2 THR 50 3HG2 THR 50 -6.561 5.686 -4.237 356 H LEU 51 H LEU 51 -5.039 1.627 -3.492 357 HA LEU 51 HA LEU 51 -2.627 2.801 -2.196 358 1HB LEU 51 1HB LEU 51 -3.264 0.086 -3.357 359 2HB LEU 51 2HB LEU 51 -1.579 0.649 -3.241 360 HG LEU 51 HG LEU 51 -3.583 0.206 -1.005 361 1HD1 LEU 51 1HD1 LEU 51 -1.029 -0.701 -0.310 362 2HD1 LEU 51 2HD1 LEU 51 -2.373 -1.704 -0.908 363 3HD1 LEU 51 3HD1 LEU 51 -1.157 -1.076 -2.046 364 1HD2 LEU 51 1HD2 LEU 51 -1.742 1.213 0.464 365 2HD2 LEU 51 2HD2 LEU 51 -1.047 1.884 -1.031 366 3HD2 LEU 51 3HD2 LEU 51 -2.678 2.372 -0.511 367 H GLN 52 H GLN 52 -1.335 4.055 -3.409 368 HA GLN 52 HA GLN 52 -1.726 3.952 -6.363 369 1HB GLN 52 1HB GLN 52 -1.222 6.202 -4.417 370 2HB GLN 52 2HB GLN 52 -0.703 6.356 -6.113 371 1HG GLN 52 1HG GLN 52 -3.226 5.370 -6.450 372 2HG GLN 52 2HG GLN 52 -3.441 6.296 -4.949 373 1HE2 GLN 52 1HE2 GLN 52 -1.930 6.589 -8.215 374 2HE2 GLN 52 2HE2 GLN 52 -2.353 8.271 -8.448 375 H PHE 53 H PHE 53 -0.105 2.779 -7.231 376 HA PHE 53 HA PHE 53 2.657 3.491 -6.402 377 1HB PHE 53 1HB PHE 53 3.293 1.140 -6.474 378 2HB PHE 53 2HB PHE 53 2.019 1.399 -5.271 379 HD1 PHE 53 1HD PHE 53 -0.308 0.656 -5.731 380 HD2 PHE 53 2HD PHE 53 2.938 -0.250 -8.395 381 HE1 PHE 53 1HE PHE 53 -1.682 -1.107 -6.807 382 HE2 PHE 53 2HE PHE 53 1.565 -2.012 -9.470 383 HZ PHE 53 HZ PHE 53 -0.745 -2.441 -8.676 384 H GLN 54 H GLN 54 4.264 3.069 -8.062 385 HA GLN 54 HA GLN 54 3.053 3.229 -10.768 386 1HB GLN 54 1HB GLN 54 4.787 4.926 -9.604 387 2HB GLN 54 2HB GLN 54 5.954 3.764 -10.281 388 1HG GLN 54 1HG GLN 54 5.166 4.102 -12.499 389 2HG GLN 54 2HG GLN 54 3.681 4.899 -11.936 390 1HE2 GLN 54 1HE2 GLN 54 7.089 5.271 -12.674 391 2HE2 GLN 54 2HE2 GLN 54 7.169 7.006 -12.456 392 H ARG 55 H ARG 55 2.975 1.347 -11.839 393 HA ARG 55 HA ARG 55 4.286 -1.014 -11.128 394 1HB ARG 55 1HB ARG 55 2.351 -0.562 -12.803 395 2HB ARG 55 2HB ARG 55 3.645 -0.305 -13.998 396 1HG ARG 55 1HG ARG 55 4.481 -2.524 -13.721 397 2HG ARG 55 2HG ARG 55 3.536 -2.776 -12.234 398 1HD ARG 55 1HD ARG 55 2.117 -2.128 -14.816 399 2HD ARG 55 2HD ARG 55 2.691 -3.784 -14.523 400 HE ARG 55 HE ARG 55 1.194 -2.703 -12.284 401 1HH1 ARG 55 1HH1 ARG 55 -1.652 -4.617 -13.109 402 2HH1 ARG 55 2HH1 ARG 55 -0.878 -3.642 -11.879 403 1HH2 ARG 55 1HH2 ARG 55 -0.597 -4.966 -15.147 404 2HH2 ARG 55 2HH2 ARG 55 0.972 -4.255 -15.453 405 H ASN 56 H ASN 56 5.207 1.327 -13.721 406 HA ASN 56 HA ASN 56 7.963 0.201 -13.561 407 1HB ASN 56 1HB ASN 56 6.462 1.519 -15.851 408 2HB ASN 56 2HB ASN 56 8.189 1.103 -15.893 409 1HD2 ASN 56 1HD2 ASN 56 8.807 -1.172 -15.669 410 2HD2 ASN 56 2HD2 ASN 56 7.694 -2.423 -16.180 411 H LEU 57 H LEU 57 9.713 1.626 -13.447 412 HA LEU 57 HA LEU 57 9.051 4.239 -12.303 413 1HB LEU 57 1HB LEU 57 10.776 2.906 -11.233 414 2HB LEU 57 2HB LEU 57 11.671 2.762 -12.764 415 HG LEU 57 HG LEU 57 11.976 5.222 -12.812 416 1HD1 LEU 57 1HD1 LEU 57 9.827 5.202 -11.017 417 2HD1 LEU 57 2HD1 LEU 57 11.222 5.663 -10.012 418 3HD1 LEU 57 3HD1 LEU 57 10.814 6.616 -11.460 419 1HD2 LEU 57 1HD2 LEU 57 13.826 5.073 -11.491 420 2HD2 LEU 57 2HD2 LEU 57 12.876 4.634 -10.050 421 3HD2 LEU 57 3HD2 LEU 57 13.307 3.388 -11.246 422 H SER 58 H SER 58 11.146 3.025 -14.985 423 HA SER 58 HA SER 58 11.861 5.445 -16.111 424 1HB SER 58 1HB SER 58 12.637 3.194 -16.845 425 2HB SER 58 2HB SER 58 11.053 2.922 -17.609 426 HG SER 58 HG SER 58 11.448 4.610 -18.990 427 H ASP 59 H ASP 59 8.831 3.586 -16.632 428 HA ASP 59 HA ASP 59 7.752 5.922 -18.122 429 1HB ASP 59 1HB ASP 59 7.613 3.838 -19.340 430 2HB ASP 59 2HB ASP 59 6.897 3.012 -17.939 431 HA PRO 60 HA PRO 60 5.239 6.960 -14.662 432 1HB PRO 60 1HB PRO 60 3.325 8.456 -15.897 433 2HB PRO 60 2HB PRO 60 5.037 8.988 -15.818 434 1HG PRO 60 1HG PRO 60 3.670 7.521 -18.093 435 2HG PRO 60 2HG PRO 60 4.626 9.035 -18.194 436 1HD PRO 60 1HD PRO 60 5.751 6.607 -18.710 437 2HD PRO 60 2HD PRO 60 6.661 7.854 -17.804 438 H ARG 61 H ARG 61 4.905 4.320 -15.308 439 HA ARG 61 HA ARG 61 2.203 3.732 -16.160 440 1HB ARG 61 1HB ARG 61 4.628 2.266 -15.300 441 2HB ARG 61 2HB ARG 61 3.090 1.483 -14.864 442 1HG ARG 61 1HG ARG 61 3.492 2.595 -17.646 443 2HG ARG 61 2HG ARG 61 4.151 0.997 -17.218 444 1HD ARG 61 1HD ARG 61 1.866 0.341 -16.404 445 2HD ARG 61 2HD ARG 61 1.249 1.894 -17.006 446 HE ARG 61 HE ARG 61 2.684 0.405 -19.038 447 1HH1 ARG 61 1HH1 ARG 61 -0.315 -0.591 -20.604 448 2HH1 ARG 61 2HH1 ARG 61 1.422 -0.466 -20.767 449 1HH2 ARG 61 1HH2 ARG 61 -1.353 0.116 -18.653 450 2HH2 ARG 61 2HH2 ARG 61 -0.397 0.775 -17.344 451 H LEU 62 H LEU 62 1.121 5.263 -14.657 452 HA LEU 62 HA LEU 62 1.184 4.661 -11.816 453 1HB LEU 62 1HB LEU 62 0.124 6.708 -13.590 454 2HB LEU 62 2HB LEU 62 -1.110 6.181 -12.420 455 HG LEU 62 HG LEU 62 0.641 8.076 -11.779 456 1HD1 LEU 62 1HD1 LEU 62 0.060 7.674 -9.573 457 2HD1 LEU 62 2HD1 LEU 62 -1.116 6.615 -10.387 458 3HD1 LEU 62 3HD1 LEU 62 0.374 5.926 -9.698 459 1HD2 LEU 62 1HD2 LEU 62 2.706 7.331 -10.944 460 2HD2 LEU 62 2HD2 LEU 62 2.151 5.646 -10.802 461 3HD2 LEU 62 3HD2 LEU 62 2.504 6.335 -12.405 462 H GLU 63 H GLU 63 -0.027 3.213 -10.735 463 HA GLU 63 HA GLU 63 -2.459 2.161 -12.090 464 1HB GLU 63 1HB GLU 63 -0.317 0.551 -10.646 465 2HB GLU 63 2HB GLU 63 -1.854 -0.096 -11.270 466 1HG GLU 63 1HG GLU 63 0.370 1.202 -12.896 467 2HG GLU 63 2HG GLU 63 -0.070 -0.520 -12.889 468 H THR 64 H THR 64 -4.223 1.939 -10.785 469 HA THR 64 HA THR 64 -3.793 2.573 -7.904 470 HB THR 64 HB THR 64 -6.309 3.252 -8.141 471 HG1 THR 64 1HG THR 64 -6.731 2.585 -10.179 472 1HG2 THR 64 1HG2 THR 64 -5.392 5.302 -7.934 473 2HG2 THR 64 2HG2 THR 64 -3.824 4.610 -8.413 474 3HG2 THR 64 3HG2 THR 64 -4.910 5.292 -9.647 475 H ILE 65 H ILE 65 -4.707 1.258 -6.365 476 HA ILE 65 HA ILE 65 -6.415 -0.974 -7.312 477 HB ILE 65 HB ILE 65 -3.941 -1.626 -7.152 478 1HG1 ILE 65 1HG1 ILE 65 -6.001 -2.999 -5.373 479 2HG1 ILE 65 2HG1 ILE 65 -5.753 -3.283 -7.112 480 1HG2 ILE 65 1HG2 ILE 65 -3.826 -0.200 -4.923 481 2HG2 ILE 65 2HG2 ILE 65 -4.413 -1.705 -4.175 482 3HG2 ILE 65 3HG2 ILE 65 -2.877 -1.698 -5.075 483 1HD1 ILE 65 1HD1 ILE 65 -4.411 -4.979 -6.349 484 2HD1 ILE 65 2HD1 ILE 65 -3.216 -3.667 -6.209 485 3HD1 ILE 65 3HD1 ILE 65 -4.134 -4.191 -4.777 486 H THR 66 H THR 66 -8.164 -1.226 -6.039 487 HA THR 66 HA THR 66 -8.152 0.207 -3.436 488 HB THR 66 HB THR 66 -10.308 -0.606 -5.398 489 HG1 THR 66 1HG THR 66 -9.435 1.415 -5.677 490 1HG2 THR 66 1HG2 THR 66 -10.731 -1.141 -2.828 491 2HG2 THR 66 2HG2 THR 66 -10.962 0.621 -2.725 492 3HG2 THR 66 3HG2 THR 66 -11.990 -0.350 -3.807 493 H LEU 67 H LEU 67 -8.070 -0.940 -1.602 494 HA LEU 67 HA LEU 67 -8.434 -3.871 -1.783 495 1HB LEU 67 1HB LEU 67 -7.349 -2.138 0.472 496 2HB LEU 67 2HB LEU 67 -7.293 -3.915 0.377 497 HG LEU 67 HG LEU 67 -6.153 -2.319 -1.905 498 1HD1 LEU 67 1HD1 LEU 67 -4.409 -1.470 -0.740 499 2HD1 LEU 67 2HD1 LEU 67 -5.362 -1.795 0.728 500 3HD1 LEU 67 3HD1 LEU 67 -4.175 -2.991 0.155 501 1HD2 LEU 67 1HD2 LEU 67 -6.275 -5.039 -1.049 502 2HD2 LEU 67 2HD2 LEU 67 -5.438 -4.379 -2.474 503 3HD2 LEU 67 3HD2 LEU 67 -4.574 -4.529 -0.924 504 H GLN 68 H GLN 68 -10.242 -4.832 -1.071 505 HA GLN 68 HA GLN 68 -12.306 -3.198 0.196 506 1HB GLN 68 1HB GLN 68 -12.223 -6.141 -0.578 507 2HB GLN 68 2HB GLN 68 -13.667 -5.251 -0.038 508 1HG GLN 68 1HG GLN 68 -12.034 -4.832 -2.563 509 2HG GLN 68 2HG GLN 68 -13.757 -5.243 -2.425 510 1HE2 GLN 68 1HE2 GLN 68 -14.996 -3.550 -0.931 511 2HE2 GLN 68 2HE2 GLN 68 -14.709 -1.876 -1.355 512 H LYS 69 H LYS 69 -13.599 -4.671 1.970 513 HA LYS 69 HA LYS 69 -12.086 -4.478 4.330 514 1HB LYS 69 1HB LYS 69 -14.408 -6.389 3.970 515 2HB LYS 69 2HB LYS 69 -13.963 -5.432 5.404 516 1HG LYS 69 1HG LYS 69 -15.417 -3.859 4.686 517 2HG LYS 69 2HG LYS 69 -14.291 -3.538 3.345 518 1HD LYS 69 1HD LYS 69 -15.515 -4.797 1.834 519 2HD LYS 69 2HD LYS 69 -16.159 -5.877 3.093 520 1HE LYS 69 1HE LYS 69 -16.944 -3.000 3.262 521 2HE LYS 69 2HE LYS 69 -17.637 -3.936 1.919 522 1HZ LYS 69 1HZ LYS 69 -18.173 -5.605 3.722 523 2HZ LYS 69 2HZ LYS 69 -17.926 -4.369 4.787 524 3HZ LYS 69 3HZ LYS 69 -19.095 -4.240 3.630 525 H TRP 70 H TRP 70 -10.496 -5.697 5.156 526 HA TRP 70 HA TRP 70 -9.093 -7.470 5.507 527 1HB TRP 70 1HB TRP 70 -11.472 -9.151 4.667 528 2HB TRP 70 2HB TRP 70 -10.076 -9.684 5.613 529 HD1 TRP 70 HD TRP 70 -13.517 -8.569 6.009 530 HE1 TRP 70 1HE TRP 70 -14.071 -7.949 8.416 531 HE3 TRP 70 3HE TRP 70 -8.764 -8.318 7.891 532 HZ2 TRP 70 2HZ TRP 70 -12.633 -7.406 10.869 533 HZ3 TRP 70 3HZ TRP 70 -8.397 -7.747 10.263 534 HH2 TRP 70 HH TRP 70 -10.315 -7.289 11.762 535 H GLY 71 H GLY 71 -9.420 -6.206 2.794 536 1HA GLY 71 1HA GLY 71 -9.007 -8.356 0.880 537 2HA GLY 71 2HA GLY 71 -8.850 -6.609 0.586 538 H SER 72 H SER 72 -7.033 -8.688 -0.336 539 HA SER 72 HA SER 72 -4.573 -7.684 0.983 540 1HB SER 72 1HB SER 72 -4.509 -10.518 0.116 541 2HB SER 72 2HB SER 72 -3.809 -9.746 1.559 542 HG SER 72 HG SER 72 -6.589 -9.903 1.373 543 H TRP 73 H TRP 73 -2.648 -7.922 -0.394 544 HA TRP 73 HA TRP 73 -3.327 -8.254 -3.272 545 1HB TRP 73 1HB TRP 73 -3.266 -5.843 -2.567 546 2HB TRP 73 2HB TRP 73 -1.575 -6.073 -2.103 547 HD1 TRP 73 HD TRP 73 -3.008 -7.588 -5.303 548 HE1 TRP 73 1HE TRP 73 -1.904 -6.525 -7.338 549 HE3 TRP 73 3HE TRP 73 -0.333 -3.917 -2.944 550 HZ2 TRP 73 2HZ TRP 73 -0.080 -4.346 -7.886 551 HZ3 TRP 73 3HZ TRP 73 1.074 -2.370 -4.254 552 HH2 TRP 73 HH TRP 73 1.212 -2.570 -6.719 553 H ASN 74 H ASN 74 -1.955 -9.575 -4.324 554 HA ASN 74 HA ASN 74 0.760 -9.959 -3.179 555 1HB ASN 74 1HB ASN 74 -0.652 -11.796 -2.369 556 2HB ASN 74 2HB ASN 74 -1.176 -12.145 -4.030 557 1HD2 ASN 74 1HD2 ASN 74 -0.326 -14.207 -4.240 558 2HD2 ASN 74 2HD2 ASN 74 1.391 -14.549 -4.199 559 HA PRO 75 HA PRO 75 0.799 -9.141 -7.734 560 1HB PRO 75 1HB PRO 75 2.718 -7.208 -7.697 561 2HB PRO 75 2HB PRO 75 1.013 -6.856 -7.264 562 1HG PRO 75 1HG PRO 75 3.298 -7.490 -5.374 563 2HG PRO 75 2HG PRO 75 2.178 -6.091 -5.297 564 1HD PRO 75 1HD PRO 75 1.739 -8.345 -3.829 565 2HD PRO 75 2HD PRO 75 0.374 -7.488 -4.606 566 H GLY 76 H GLY 76 3.940 -8.488 -6.133 567 1HA GLY 76 1HA GLY 76 5.300 -10.754 -5.990 568 2HA GLY 76 2HA GLY 76 5.138 -10.645 -7.758 569 H HIS 77 H HIS 77 5.993 -8.516 -4.966 570 HA HIS 77 HA HIS 77 7.734 -7.057 -4.678 571 1HB HIS 77 1HB HIS 77 9.140 -8.964 -5.338 572 2HB HIS 77 2HB HIS 77 8.915 -8.548 -7.048 573 HD1 HIS 77 1HD HIS 77 9.526 -5.496 -7.061 574 HD2 HIS 77 2HD HIS 77 11.616 -8.382 -4.802 575 HE1 HIS 77 1HE HIS 77 11.837 -4.495 -6.549 576 HE2 HIS 77 2HE HIS 77 13.097 -6.257 -5.177 577 H ILE 78 H ILE 78 6.540 -5.204 -5.163 578 HA ILE 78 HA ILE 78 6.351 -4.356 -7.975 579 HB ILE 78 HB ILE 78 5.379 -3.057 -5.399 580 1HG1 ILE 78 1HG1 ILE 78 4.486 -5.405 -6.469 581 2HG1 ILE 78 2HG1 ILE 78 3.439 -4.253 -5.607 582 1HG2 ILE 78 1HG2 ILE 78 3.931 -1.766 -6.988 583 2HG2 ILE 78 2HG2 ILE 78 5.666 -1.428 -7.199 584 3HG2 ILE 78 3HG2 ILE 78 4.823 -2.499 -8.343 585 1HD1 ILE 78 1HD1 ILE 78 2.692 -3.258 -7.661 586 2HD1 ILE 78 2HD1 ILE 78 3.945 -4.102 -8.602 587 3HD1 ILE 78 3HD1 ILE 78 2.593 -5.019 -7.895 588 H HIS 79 H HIS 79 7.295 -2.451 -8.790 589 HA HIS 79 HA HIS 79 9.917 -1.912 -8.184 590 1HB HIS 79 1HB HIS 79 9.100 -0.982 -10.161 591 2HB HIS 79 2HB HIS 79 7.696 -0.253 -9.358 592 HD1 HIS 79 1HD HIS 79 11.483 0.234 -8.596 593 HD2 HIS 79 2HD HIS 79 7.961 2.315 -9.629 594 HE1 HIS 79 1HE HIS 79 12.078 2.734 -8.584 595 HE2 HIS 79 2HE HIS 79 9.931 3.988 -9.212 596 H GLU 80 H GLU 80 7.448 0.565 -7.362 597 HA GLU 80 HA GLU 80 8.256 0.619 -4.570 598 1HB GLU 80 1HB GLU 80 10.134 1.811 -5.748 599 2HB GLU 80 2HB GLU 80 8.945 3.002 -6.329 600 1HG GLU 80 1HG GLU 80 8.304 3.013 -3.710 601 2HG GLU 80 2HG GLU 80 10.013 2.545 -3.570 602 H ILE 81 H ILE 81 6.867 1.925 -3.298 603 HA ILE 81 HA ILE 81 4.273 2.388 -4.547 604 HB ILE 81 HB ILE 81 5.330 2.725 -1.716 605 1HG1 ILE 81 1HG1 ILE 81 5.113 0.397 -2.682 606 2HG1 ILE 81 2HG1 ILE 81 4.071 0.701 -1.271 607 1HG2 ILE 81 1HG2 ILE 81 3.528 4.296 -1.973 608 2HG2 ILE 81 2HG2 ILE 81 2.566 3.135 -2.919 609 3HG2 ILE 81 3HG2 ILE 81 2.835 2.860 -1.182 610 1HD1 ILE 81 1HD1 ILE 81 2.668 1.515 -3.655 611 2HD1 ILE 81 2HD1 ILE 81 3.288 -0.136 -3.891 612 3HD1 ILE 81 3HD1 ILE 81 2.241 0.231 -2.499 613 H LEU 82 H LEU 82 3.326 4.336 -5.008 614 HA LEU 82 HA LEU 82 5.125 6.660 -5.042 615 1HB LEU 82 1HB LEU 82 2.290 6.312 -6.095 616 2HB LEU 82 2HB LEU 82 3.394 7.663 -6.448 617 HG LEU 82 HG LEU 82 3.414 4.854 -7.474 618 1HD1 LEU 82 1HD1 LEU 82 4.647 6.296 -9.335 619 2HD1 LEU 82 2HD1 LEU 82 2.882 6.404 -9.128 620 3HD1 LEU 82 3HD1 LEU 82 3.937 7.660 -8.437 621 1HD2 LEU 82 1HD2 LEU 82 5.913 5.146 -7.952 622 2HD2 LEU 82 2HD2 LEU 82 5.902 6.433 -6.721 623 3HD2 LEU 82 3HD2 LEU 82 5.485 4.763 -6.267 624 H SER 83 H SER 83 1.662 6.163 -4.138 625 HA SER 83 HA SER 83 2.151 7.680 -1.654 626 1HB SER 83 1HB SER 83 1.507 9.292 -3.516 627 2HB SER 83 2HB SER 83 -0.063 8.456 -3.584 628 HG SER 83 HG SER 83 0.890 9.266 -1.089 629 H ILE 84 H ILE 84 0.049 7.701 -0.312 630 HA ILE 84 HA ILE 84 -1.516 5.223 -0.825 631 HB ILE 84 HB ILE 84 -0.029 6.068 1.672 632 1HG1 ILE 84 1HG1 ILE 84 -0.316 3.459 0.121 633 2HG1 ILE 84 2HG1 ILE 84 1.098 4.541 0.104 634 1HG2 ILE 84 1HG2 ILE 84 -2.377 5.666 2.318 635 2HG2 ILE 84 2HG2 ILE 84 -2.359 4.115 1.446 636 3HG2 ILE 84 3HG2 ILE 84 -1.335 4.339 2.885 637 1HD1 ILE 84 1HD1 ILE 84 0.001 2.960 2.463 638 2HD1 ILE 84 2HD1 ILE 84 1.578 2.759 1.663 639 3HD1 ILE 84 3HD1 ILE 84 1.246 4.222 2.620 640 H ARG 85 H ARG 85 -3.674 5.489 -0.615 641 HA ARG 85 HA ARG 85 -4.603 7.983 0.730 642 1HB ARG 85 1HB ARG 85 -4.950 8.336 -1.593 643 2HB ARG 85 2HB ARG 85 -5.494 6.660 -1.849 644 1HG ARG 85 1HG ARG 85 -7.518 7.067 -0.552 645 2HG ARG 85 2HG ARG 85 -6.955 8.699 -0.117 646 1HD ARG 85 1HD ARG 85 -6.757 8.782 -2.850 647 2HD ARG 85 2HD ARG 85 -8.155 7.705 -2.645 648 HE ARG 85 HE ARG 85 -9.403 9.530 -2.005 649 1HH1 ARG 85 1HH1 ARG 85 -8.375 12.734 -0.947 650 2HH1 ARG 85 2HH1 ARG 85 -9.741 11.725 -1.364 651 1HH2 ARG 85 1HH2 ARG 85 -6.223 11.869 -1.035 652 2HH2 ARG 85 2HH2 ARG 85 -5.967 10.208 -1.520 653 H ILE 86 H ILE 86 -6.068 7.705 2.320 654 HA ILE 86 HA ILE 86 -7.285 4.995 2.573 655 HB ILE 86 HB ILE 86 -6.677 7.005 4.773 656 1HG1 ILE 86 1HG1 ILE 86 -5.183 4.459 4.014 657 2HG1 ILE 86 2HG1 ILE 86 -4.624 6.105 3.630 658 1HG2 ILE 86 1HG2 ILE 86 -7.941 5.631 6.033 659 2HG2 ILE 86 2HG2 ILE 86 -8.274 4.616 4.610 660 3HG2 ILE 86 3HG2 ILE 86 -6.856 4.279 5.631 661 1HD1 ILE 86 1HD1 ILE 86 -5.327 5.294 6.467 662 2HD1 ILE 86 2HD1 ILE 86 -3.708 4.998 5.791 663 3HD1 ILE 86 3HD1 ILE 86 -4.329 6.661 5.917 664 H TYR 87 H TYR 87 -9.477 4.846 2.727 665 HA TYR 87 HA TYR 87 -11.000 7.295 2.225 666 1HB TYR 87 1HB TYR 87 -11.636 4.341 2.337 667 2HB TYR 87 2HB TYR 87 -12.910 5.566 2.212 668 HD1 TYR 87 1HD TYR 87 -13.766 5.679 0.070 669 HD2 TYR 87 2HD TYR 87 -9.539 5.123 0.596 670 HE1 TYR 87 1HE TYR 87 -13.450 5.759 -2.388 671 HE2 TYR 87 2HE TYR 87 -9.223 5.203 -1.862 672 HH TYR 87 HH TYR 87 -10.302 5.162 -3.919 Start of MODEL 13 1 H MET 1 H MET 1 -3.364 12.117 6.324 2 HA MET 1 HA MET 1 -3.086 12.747 8.912 3 1HB MET 1 1HB MET 1 -5.730 13.119 8.607 4 2HB MET 1 2HB MET 1 -5.748 11.385 9.011 5 1HG MET 1 1HG MET 1 -5.599 12.009 11.162 6 2HG MET 1 2HG MET 1 -3.917 12.439 10.811 7 1HE MET 1 1HE MET 1 -4.649 13.755 13.204 8 2HE MET 1 2HE MET 1 -5.716 15.180 13.206 9 3HE MET 1 3HE MET 1 -6.400 13.555 12.957 10 H ILE 2 H ILE 2 -1.927 11.043 7.070 11 HA ILE 2 HA ILE 2 -2.527 8.331 8.143 12 HB ILE 2 HB ILE 2 -2.758 8.381 5.757 13 1HG1 ILE 2 1HG1 ILE 2 0.087 7.421 6.213 14 2HG1 ILE 2 2HG1 ILE 2 -1.320 6.550 6.868 15 1HG2 ILE 2 1HG2 ILE 2 -0.917 9.243 4.304 16 2HG2 ILE 2 2HG2 ILE 2 -1.621 10.515 5.332 17 3HG2 ILE 2 3HG2 ILE 2 -0.054 9.790 5.762 18 1HD1 ILE 2 1HD1 ILE 2 -0.945 5.511 4.776 19 2HD1 ILE 2 2HD1 ILE 2 -2.255 6.669 4.442 20 3HD1 ILE 2 3HD1 ILE 2 -0.582 7.057 3.973 21 H ASN 3 H ASN 3 -0.958 7.193 9.210 22 HA ASN 3 HA ASN 3 1.780 8.323 9.258 23 1HB ASN 3 1HB ASN 3 0.072 8.974 11.245 24 2HB ASN 3 2HB ASN 3 0.639 7.406 11.857 25 1HD2 ASN 3 1HD2 ASN 3 2.834 7.122 12.433 26 2HD2 ASN 3 2HD2 ASN 3 3.920 8.481 12.634 27 H ARG 4 H ARG 4 3.398 6.792 9.622 28 HA ARG 4 HA ARG 4 2.643 4.061 8.998 29 1HB ARG 4 1HB ARG 4 5.030 5.719 8.997 30 2HB ARG 4 2HB ARG 4 5.351 4.155 9.784 31 1HG ARG 4 1HG ARG 4 4.548 2.936 7.860 32 2HG ARG 4 2HG ARG 4 3.933 4.426 7.104 33 1HD ARG 4 1HD ARG 4 6.776 4.603 7.825 34 2HD ARG 4 2HD ARG 4 6.442 3.287 6.679 35 HE ARG 4 HE ARG 4 5.149 5.785 5.949 36 1HH1 ARG 4 1HH1 ARG 4 7.501 6.377 3.387 37 2HH1 ARG 4 2HH1 ARG 4 5.952 6.840 4.056 38 1HH2 ARG 4 1HH2 ARG 4 8.750 4.705 4.402 39 2HH2 ARG 4 2HH2 ARG 4 8.143 3.907 5.835 40 H THR 5 H THR 5 1.848 2.707 10.495 41 HA THR 5 HA THR 5 2.976 2.906 13.249 42 HB THR 5 HB THR 5 0.647 3.603 13.239 43 HG1 THR 5 1HG THR 5 0.759 0.894 14.068 44 1HG2 THR 5 1HG2 THR 5 -0.408 2.792 11.349 45 2HG2 THR 5 2HG2 THR 5 0.394 1.206 11.453 46 3HG2 THR 5 3HG2 THR 5 -0.975 1.583 12.527 47 H ASP 6 H ASP 6 3.269 0.911 14.389 48 HA ASP 6 HA ASP 6 3.915 -1.306 12.559 49 1HB ASP 6 1HB ASP 6 4.571 -0.589 15.420 50 2HB ASP 6 2HB ASP 6 4.833 -2.239 14.813 51 H CYS 7 H CYS 7 1.131 -0.753 12.878 52 HA CYS 7 HA CYS 7 -0.811 -1.917 13.218 53 1HB CYS 7 1HB CYS 7 1.139 -4.133 13.917 54 2HB CYS 7 2HB CYS 7 -0.614 -4.355 13.792 55 H ASN 8 H ASN 8 -1.795 -0.858 14.877 56 HA ASN 8 HA ASN 8 -0.857 -1.386 17.633 57 1HB ASN 8 1HB ASN 8 -2.604 0.439 18.118 58 2HB ASN 8 2HB ASN 8 -1.145 0.924 17.226 59 1HD2 ASN 8 1HD2 ASN 8 -1.276 1.368 14.966 60 2HD2 ASN 8 2HD2 ASN 8 -2.813 1.689 14.190 61 H GLU 9 H GLU 9 -3.429 -2.127 15.370 62 HA GLU 9 HA GLU 9 -4.591 -3.957 17.350 63 1HB GLU 9 1HB GLU 9 -5.865 -1.426 16.459 64 2HB GLU 9 2HB GLU 9 -6.899 -2.873 16.389 65 1HG GLU 9 1HG GLU 9 -5.267 -2.038 18.820 66 2HG GLU 9 2HG GLU 9 -6.992 -1.673 18.598 67 H ASN 10 H ASN 10 -6.819 -4.781 16.013 68 HA ASN 10 HA ASN 10 -5.620 -6.056 13.657 69 1HB ASN 10 1HB ASN 10 -7.605 -7.478 13.731 70 2HB ASN 10 2HB ASN 10 -6.872 -7.370 15.346 71 1HD2 ASN 10 1HD2 ASN 10 -9.774 -7.558 13.921 72 2HD2 ASN 10 2HD2 ASN 10 -10.738 -6.549 14.979 73 H SER 11 H SER 11 -7.080 -6.319 11.683 74 HA SER 11 HA SER 11 -8.151 -5.353 9.907 75 1HB SER 11 1HB SER 11 -10.233 -5.056 10.733 76 2HB SER 11 2HB SER 11 -9.619 -4.453 12.292 77 HG SER 11 HG SER 11 -10.756 -2.859 11.071 78 H TYR 12 H TYR 12 -6.148 -4.479 9.141 79 HA TYR 12 HA TYR 12 -6.218 -1.596 8.892 80 1HB TYR 12 1HB TYR 12 -4.211 -2.959 10.677 81 2HB TYR 12 2HB TYR 12 -3.755 -1.505 9.773 82 HD1 TYR 12 1HD TYR 12 -6.378 -0.023 9.888 83 HD2 TYR 12 2HD TYR 12 -4.193 -2.169 12.900 84 HE1 TYR 12 1HE TYR 12 -7.410 1.391 11.645 85 HE2 TYR 12 2HE TYR 12 -5.225 -0.755 14.657 86 HH TYR 12 HH TYR 12 -6.587 1.028 15.103 87 H LEU 13 H LEU 13 -4.505 -0.825 7.403 88 HA LEU 13 HA LEU 13 -4.004 -2.862 5.361 89 1HB LEU 13 1HB LEU 13 -4.685 -0.886 4.364 90 2HB LEU 13 2HB LEU 13 -3.858 0.132 5.567 91 HG LEU 13 HG LEU 13 -1.668 -0.919 4.575 92 1HD1 LEU 13 1HD1 LEU 13 -3.813 -1.764 2.670 93 2HD1 LEU 13 2HD1 LEU 13 -2.302 -1.151 1.956 94 3HD1 LEU 13 3HD1 LEU 13 -2.262 -2.546 3.061 95 1HD2 LEU 13 1HD2 LEU 13 -2.493 0.790 2.436 96 2HD2 LEU 13 2HD2 LEU 13 -3.284 1.375 3.919 97 3HD2 LEU 13 3HD2 LEU 13 -1.513 1.212 3.860 98 H GLU 14 H GLU 14 -2.185 -4.031 5.256 99 HA GLU 14 HA GLU 14 0.298 -2.823 6.372 100 1HB GLU 14 1HB GLU 14 -0.540 -5.737 6.614 101 2HB GLU 14 2HB GLU 14 0.907 -4.972 7.314 102 1HG GLU 14 1HG GLU 14 -0.440 -4.798 9.157 103 2HG GLU 14 2HG GLU 14 -0.996 -3.331 8.322 104 H ILE 15 H ILE 15 1.724 -2.559 4.770 105 HA ILE 15 HA ILE 15 1.590 -4.428 2.460 106 HB ILE 15 HB ILE 15 2.917 -1.698 2.673 107 1HG1 ILE 15 1HG1 ILE 15 0.443 -2.182 1.057 108 2HG1 ILE 15 2HG1 ILE 15 0.249 -2.067 2.822 109 1HG2 ILE 15 1HG2 ILE 15 2.196 -2.417 0.020 110 2HG2 ILE 15 2HG2 ILE 15 3.836 -2.290 0.702 111 3HG2 ILE 15 3HG2 ILE 15 2.977 -3.849 0.732 112 1HD1 ILE 15 1HD1 ILE 15 0.626 0.165 2.809 113 2HD1 ILE 15 2HD1 ILE 15 2.056 -0.011 1.763 114 3HD1 ILE 15 3HD1 ILE 15 0.431 0.081 1.042 115 H HIS 16 H HIS 16 3.113 -5.960 2.345 116 HA HIS 16 HA HIS 16 5.696 -5.443 3.744 117 1HB HIS 16 1HB HIS 16 5.824 -7.847 4.123 118 2HB HIS 16 2HB HIS 16 4.319 -7.199 4.801 119 HD1 HIS 16 1HD HIS 16 5.569 -9.683 2.242 120 HD2 HIS 16 2HD HIS 16 2.000 -7.755 3.403 121 HE1 HIS 16 1HE HIS 16 3.643 -10.974 1.134 122 HE2 HIS 16 2HE HIS 16 1.481 -9.794 1.847 123 H ASN 17 H ASN 17 7.037 -4.769 2.131 124 HA ASN 17 HA ASN 17 6.987 -6.281 -0.423 125 1HB ASN 17 1HB ASN 17 8.367 -4.380 -1.252 126 2HB ASN 17 2HB ASN 17 6.781 -3.866 -0.635 127 1HD2 ASN 17 1HD2 ASN 17 6.646 -2.814 1.438 128 2HD2 ASN 17 2HD2 ASN 17 8.048 -2.030 2.134 129 H ASN 18 H ASN 18 9.525 -5.943 -1.341 130 HA ASN 18 HA ASN 18 11.594 -6.918 -1.258 131 1HB ASN 18 1HB ASN 18 11.205 -5.731 1.462 132 2HB ASN 18 2HB ASN 18 12.578 -6.836 1.231 133 1HD2 ASN 18 1HD2 ASN 18 12.557 -3.898 1.735 134 2HD2 ASN 18 2HD2 ASN 18 13.418 -3.181 0.391 135 H GLU 19 H GLU 19 9.268 -8.623 -1.021 136 HA GLU 19 HA GLU 19 8.801 -10.826 -0.617 137 1HB GLU 19 1HB GLU 19 11.779 -10.848 -0.012 138 2HB GLU 19 2HB GLU 19 10.771 -12.314 -0.041 139 1HG GLU 19 1HG GLU 19 10.101 -11.801 -2.369 140 2HG GLU 19 2HG GLU 19 11.119 -10.345 -2.339 141 H GLY 20 H GLY 20 7.996 -9.098 1.340 142 1HA GLY 20 1HA GLY 20 7.289 -9.078 3.523 143 2HA GLY 20 2HA GLY 20 7.716 -10.802 3.595 144 H ARG 21 H ARG 21 9.777 -7.916 2.998 145 HA ARG 21 HA ARG 21 11.554 -8.854 5.173 146 1HB ARG 21 1HB ARG 21 12.445 -8.392 2.860 147 2HB ARG 21 2HB ARG 21 12.008 -6.682 3.092 148 1HG ARG 21 1HG ARG 21 13.378 -7.261 5.426 149 2HG ARG 21 2HG ARG 21 14.260 -8.228 4.220 150 1HD ARG 21 1HD ARG 21 13.970 -5.934 2.817 151 2HD ARG 21 2HD ARG 21 13.973 -5.263 4.462 152 HE ARG 21 HE ARG 21 16.124 -6.944 4.507 153 1HH1 ARG 21 1HH1 ARG 21 18.503 -5.055 2.714 154 2HH1 ARG 21 2HH1 ARG 21 18.264 -6.344 3.872 155 1HH2 ARG 21 1HH2 ARG 21 16.672 -3.949 1.814 156 2HH2 ARG 21 2HH2 ARG 21 15.053 -4.403 2.294 157 H ASP 22 H ASP 22 9.938 -5.864 3.971 158 HA ASP 22 HA ASP 22 9.970 -4.884 6.785 159 1HB ASP 22 1HB ASP 22 10.638 -3.443 4.206 160 2HB ASP 22 2HB ASP 22 10.113 -2.567 5.660 161 H THR 23 H THR 23 7.945 -4.708 7.531 162 HA THR 23 HA THR 23 5.763 -4.350 5.548 163 HB THR 23 HB THR 23 5.663 -5.213 8.466 164 HG1 THR 23 1HG THR 23 5.663 -7.225 7.698 165 1HG2 THR 23 1HG2 THR 23 3.582 -5.313 6.239 166 2HG2 THR 23 2HG2 THR 23 3.361 -5.876 7.913 167 3HG2 THR 23 3HG2 THR 23 3.591 -4.142 7.580 168 H LEU 24 H LEU 24 4.055 -2.826 6.002 169 HA LEU 24 HA LEU 24 4.756 -0.720 7.970 170 1HB LEU 24 1HB LEU 24 3.812 -0.009 5.188 171 2HB LEU 24 2HB LEU 24 4.627 1.016 6.394 172 HG LEU 24 HG LEU 24 6.424 -1.087 5.985 173 1HD1 LEU 24 1HD1 LEU 24 4.685 -1.240 3.847 174 2HD1 LEU 24 2HD1 LEU 24 5.951 -0.160 3.214 175 3HD1 LEU 24 3HD1 LEU 24 6.382 -1.778 3.817 176 1HD2 LEU 24 1HD2 LEU 24 7.532 0.783 4.472 177 2HD2 LEU 24 2HD2 LEU 24 6.169 1.770 5.051 178 3HD2 LEU 24 3HD2 LEU 24 7.312 1.060 6.216 179 H CYS 25 H CYS 25 3.054 -0.513 9.287 180 HA CYS 25 HA CYS 25 0.380 -1.271 8.278 181 1HB CYS 25 1HB CYS 25 1.043 -0.470 11.104 182 2HB CYS 25 2HB CYS 25 -0.229 -1.553 10.517 183 H PHE 26 H PHE 26 -1.048 0.238 7.657 184 HA PHE 26 HA PHE 26 -0.578 3.031 8.590 185 1HB PHE 26 1HB PHE 26 -1.718 1.937 6.001 186 2HB PHE 26 2HB PHE 26 -1.806 3.643 6.471 187 HD1 PHE 26 1HD PHE 26 0.185 1.083 4.923 188 HD2 PHE 26 2HD PHE 26 0.398 4.882 6.917 189 HE1 PHE 26 1HE PHE 26 2.439 1.462 3.960 190 HE2 PHE 26 2HE PHE 26 2.652 5.261 5.954 191 HZ PHE 26 HZ PHE 26 3.672 3.551 4.475 192 H ALA 27 H ALA 27 -2.338 4.228 9.323 193 HA ALA 27 HA ALA 27 -4.944 2.810 9.456 194 1HB ALA 27 1HB ALA 27 -4.602 4.247 11.883 195 2HB ALA 27 2HB ALA 27 -4.712 2.484 11.665 196 3HB ALA 27 3HB ALA 27 -3.123 3.286 11.647 197 H ASN 28 H ASN 28 -6.633 4.454 10.426 198 HA ASN 28 HA ASN 28 -7.759 6.433 10.177 199 1HB ASN 28 1HB ASN 28 -4.900 7.413 10.004 200 2HB ASN 28 2HB ASN 28 -6.280 8.520 9.832 201 1HD2 ASN 28 1HD2 ASN 28 -6.995 9.457 11.659 202 2HD2 ASN 28 2HD2 ASN 28 -6.788 8.822 13.277 203 H ALA 29 H ALA 29 -8.774 7.557 8.513 204 HA ALA 29 HA ALA 29 -8.409 6.533 5.884 205 1HB ALA 29 1HB ALA 29 -9.895 8.964 6.950 206 2HB ALA 29 2HB ALA 29 -10.014 8.377 5.273 207 3HB ALA 29 3HB ALA 29 -10.566 7.348 6.618 208 H GLY 30 H GLY 30 -6.553 8.747 7.636 209 1HA GLY 30 1HA GLY 30 -5.899 10.853 6.036 210 2HA GLY 30 2HA GLY 30 -4.682 9.919 6.936 211 H THR 31 H THR 31 -4.241 11.234 4.400 212 HA THR 31 HA THR 31 -3.459 8.848 2.834 213 HB THR 31 HB THR 31 -5.002 11.240 1.758 214 HG1 THR 31 1HG THR 31 -6.368 9.710 2.538 215 1HG2 THR 31 1HG2 THR 31 -4.542 9.136 -0.159 216 2HG2 THR 31 2HG2 THR 31 -4.052 10.845 -0.246 217 3HG2 THR 31 3HG2 THR 31 -2.977 9.649 0.517 218 H MET 32 H MET 32 -1.329 8.974 2.486 219 HA MET 32 HA MET 32 -0.156 11.625 1.882 220 1HB MET 32 1HB MET 32 1.588 11.377 3.497 221 2HB MET 32 2HB MET 32 0.066 11.061 4.363 222 1HG MET 32 1HG MET 32 0.400 8.625 4.004 223 2HG MET 32 2HG MET 32 1.946 8.968 3.210 224 1HE MET 32 1HE MET 32 1.475 6.930 5.748 225 2HE MET 32 2HE MET 32 2.945 7.155 4.771 226 3HE MET 32 3HE MET 32 3.032 7.261 6.546 227 HA PRO 33 HA PRO 33 2.098 9.373 -1.133 228 1HB PRO 33 1HB PRO 33 4.410 10.799 -1.339 229 2HB PRO 33 2HB PRO 33 2.821 11.505 -1.782 230 1HG PRO 33 1HG PRO 33 4.282 11.780 0.860 231 2HG PRO 33 2HG PRO 33 3.620 13.099 -0.160 232 1HD PRO 33 1HD PRO 33 2.210 12.079 1.938 233 2HD PRO 33 2HD PRO 33 1.382 12.504 0.409 234 H VAL 34 H VAL 34 3.143 7.458 -1.014 235 HA VAL 34 HA VAL 34 5.275 7.161 1.041 236 HB VAL 34 HB VAL 34 4.416 5.022 1.687 237 1HG1 VAL 34 1HG1 VAL 34 1.965 6.796 1.376 238 2HG1 VAL 34 2HG1 VAL 34 2.309 5.623 2.670 239 3HG1 VAL 34 3HG1 VAL 34 3.255 7.127 2.557 240 1HG2 VAL 34 1HG2 VAL 34 3.712 4.435 -0.696 241 2HG2 VAL 34 2HG2 VAL 34 2.591 3.909 0.583 242 3HG2 VAL 34 3HG2 VAL 34 2.217 5.352 -0.389 243 H ALA 35 H ALA 35 6.763 5.345 0.557 244 HA ALA 35 HA ALA 35 6.855 4.737 -2.358 245 1HB ALA 35 1HB ALA 35 8.671 6.327 -0.805 246 2HB ALA 35 2HB ALA 35 9.498 4.820 -1.267 247 3HB ALA 35 3HB ALA 35 8.787 5.864 -2.520 248 H ILE 36 H ILE 36 6.492 2.604 -2.535 249 HA ILE 36 HA ILE 36 7.954 0.814 -0.658 250 HB ILE 36 HB ILE 36 5.061 0.724 -1.557 251 1HG1 ILE 36 1HG1 ILE 36 5.737 -0.025 1.184 252 2HG1 ILE 36 2HG1 ILE 36 6.383 1.581 0.774 253 1HG2 ILE 36 1HG2 ILE 36 6.599 -1.523 -0.199 254 2HG2 ILE 36 2HG2 ILE 36 4.922 -1.557 -0.797 255 3HG2 ILE 36 3HG2 ILE 36 6.276 -1.482 -1.949 256 1HD1 ILE 36 1HD1 ILE 36 3.932 1.403 1.679 257 2HD1 ILE 36 2HD1 ILE 36 4.253 2.451 0.277 258 3HD1 ILE 36 3HD1 ILE 36 3.545 0.835 0.038 259 H TYR 37 H TYR 37 9.482 -0.159 -1.858 260 HA TYR 37 HA TYR 37 8.827 -0.822 -4.679 261 1HB TYR 37 1HB TYR 37 11.491 -0.744 -3.223 262 2HB TYR 37 2HB TYR 37 11.254 -1.041 -4.953 263 HD1 TYR 37 1HD TYR 37 10.827 1.512 -2.266 264 HD2 TYR 37 2HD TYR 37 11.063 0.747 -6.487 265 HE1 TYR 37 1HE TYR 37 10.950 3.950 -2.702 266 HE2 TYR 37 2HE TYR 37 11.187 3.185 -6.922 267 HH TYR 37 HH TYR 37 11.017 5.289 -6.004 268 H GLY 38 H GLY 38 8.840 -2.919 -5.411 269 1HA GLY 38 1HA GLY 38 9.001 -5.221 -5.341 270 2HA GLY 38 2HA GLY 38 9.967 -5.082 -3.855 271 H VAL 39 H VAL 39 6.585 -4.443 -4.957 272 HA VAL 39 HA VAL 39 5.555 -5.071 -2.300 273 HB VAL 39 HB VAL 39 4.259 -4.373 -4.960 274 1HG1 VAL 39 1HG1 VAL 39 3.024 -4.884 -2.220 275 2HG1 VAL 39 2HG1 VAL 39 2.167 -4.144 -3.594 276 3HG1 VAL 39 3HG1 VAL 39 2.743 -5.825 -3.705 277 1HG2 VAL 39 1HG2 VAL 39 3.646 -2.308 -3.595 278 2HG2 VAL 39 2HG2 VAL 39 4.767 -2.901 -2.346 279 3HG2 VAL 39 3HG2 VAL 39 5.378 -2.487 -3.965 280 H ASN 40 H ASN 40 5.195 -7.088 -1.607 281 HA ASN 40 HA ASN 40 4.880 -9.226 -3.642 282 1HB ASN 40 1HB ASN 40 5.791 -9.119 -0.769 283 2HB ASN 40 2HB ASN 40 5.193 -10.643 -1.460 284 1HD2 ASN 40 1HD2 ASN 40 7.100 -7.964 -2.933 285 2HD2 ASN 40 2HD2 ASN 40 8.465 -8.958 -3.395 286 H TRP 41 H TRP 41 3.404 -7.844 -0.678 287 HA TRP 41 HA TRP 41 0.768 -8.611 -1.609 288 1HB TRP 41 1HB TRP 41 1.316 -10.748 -0.740 289 2HB TRP 41 2HB TRP 41 2.105 -10.055 0.684 290 HD1 TRP 41 HD TRP 41 0.046 -8.309 1.994 291 HE1 TRP 41 1HE TRP 41 -2.167 -9.168 2.918 292 HE3 TRP 41 3HE TRP 41 -0.366 -12.604 -0.760 293 HZ2 TRP 41 2HZ TRP 41 -3.913 -11.441 2.517 294 HZ3 TRP 41 3HZ TRP 41 -2.315 -14.087 -0.462 295 HH2 TRP 41 HH TRP 41 -4.093 -13.522 1.168 296 H VAL 42 H VAL 42 -0.904 -7.602 -0.383 297 HA VAL 42 HA VAL 42 0.064 -5.716 1.705 298 HB VAL 42 HB VAL 42 -1.541 -5.170 -0.795 299 1HG1 VAL 42 1HG1 VAL 42 -2.317 -3.070 0.203 300 2HG1 VAL 42 2HG1 VAL 42 -2.900 -4.442 1.175 301 3HG1 VAL 42 3HG1 VAL 42 -1.515 -3.476 1.739 302 1HG2 VAL 42 1HG2 VAL 42 0.654 -4.491 -1.134 303 2HG2 VAL 42 2HG2 VAL 42 -0.021 -3.011 -0.409 304 3HG2 VAL 42 3HG2 VAL 42 0.923 -4.142 0.591 305 H GLU 43 H GLU 43 -1.424 -5.261 3.361 306 HA GLU 43 HA GLU 43 -3.699 -7.174 3.459 307 1HB GLU 43 1HB GLU 43 -2.105 -5.746 5.618 308 2HB GLU 43 2HB GLU 43 -3.572 -6.700 5.939 309 1HG GLU 43 1HG GLU 43 -1.666 -8.126 4.226 310 2HG GLU 43 2HG GLU 43 -0.958 -7.682 5.794 311 H SER 44 H SER 44 -5.728 -6.432 4.382 312 HA SER 44 HA SER 44 -6.151 -3.558 4.647 313 1HB SER 44 1HB SER 44 -7.745 -4.986 2.511 314 2HB SER 44 2HB SER 44 -7.558 -3.237 2.789 315 HG SER 44 HG SER 44 -5.668 -5.080 1.769 316 H GLY 45 H GLY 45 -6.728 -4.312 6.782 317 1HA GLY 45 1HA GLY 45 -8.553 -6.289 7.443 318 2HA GLY 45 2HA GLY 45 -8.358 -4.768 8.344 319 H ASN 46 H ASN 46 -10.722 -5.071 8.752 320 HA ASN 46 HA ASN 46 -12.603 -4.900 6.599 321 1HB ASN 46 1HB ASN 46 -12.914 -5.676 9.057 322 2HB ASN 46 2HB ASN 46 -13.097 -3.947 9.426 323 1HD2 ASN 46 1HD2 ASN 46 -15.131 -3.184 9.388 324 2HD2 ASN 46 2HD2 ASN 46 -16.452 -3.850 8.451 325 H ASN 47 H ASN 47 -10.890 -3.074 5.751 326 HA ASN 47 HA ASN 47 -12.424 -0.585 5.994 327 1HB ASN 47 1HB ASN 47 -10.113 0.615 6.290 328 2HB ASN 47 2HB ASN 47 -10.953 -0.037 7.713 329 1HD2 ASN 47 1HD2 ASN 47 -8.418 -0.752 5.280 330 2HD2 ASN 47 2HD2 ASN 47 -7.488 -1.828 6.300 331 H VAL 48 H VAL 48 -12.248 0.716 4.169 332 HA VAL 48 HA VAL 48 -10.981 -0.606 1.861 333 HB VAL 48 HB VAL 48 -12.694 1.904 1.945 334 1HG1 VAL 48 1HG1 VAL 48 -12.028 1.894 -0.230 335 2HG1 VAL 48 2HG1 VAL 48 -11.424 0.223 -0.131 336 3HG1 VAL 48 3HG1 VAL 48 -13.156 0.528 -0.408 337 1HG2 VAL 48 1HG2 VAL 48 -13.409 -1.042 1.910 338 2HG2 VAL 48 2HG2 VAL 48 -14.081 0.256 2.926 339 3HG2 VAL 48 3HG2 VAL 48 -14.490 0.178 1.195 340 H VAL 49 H VAL 49 -9.001 -0.054 1.189 341 HA VAL 49 HA VAL 49 -8.119 2.753 1.592 342 HB VAL 49 HB VAL 49 -6.688 0.208 2.408 343 1HG1 VAL 49 1HG1 VAL 49 -5.597 2.667 1.236 344 2HG1 VAL 49 2HG1 VAL 49 -4.967 2.362 2.873 345 3HG1 VAL 49 3HG1 VAL 49 -4.783 1.127 1.604 346 1HG2 VAL 49 1HG2 VAL 49 -6.255 1.977 4.375 347 2HG2 VAL 49 2HG2 VAL 49 -7.740 2.701 3.711 348 3HG2 VAL 49 3HG2 VAL 49 -7.754 1.020 4.296 349 H THR 50 H THR 50 -7.077 3.611 -0.150 350 HA THR 50 HA THR 50 -6.775 1.815 -2.488 351 HB THR 50 HB THR 50 -7.156 4.782 -2.092 352 HG1 THR 50 1HG THR 50 -8.332 2.724 -3.650 353 1HG2 THR 50 1HG2 THR 50 -6.421 5.279 -4.279 354 2HG2 THR 50 2HG2 THR 50 -5.162 4.178 -3.669 355 3HG2 THR 50 3HG2 THR 50 -6.422 3.567 -4.767 356 H LEU 51 H LEU 51 -4.826 1.402 -3.422 357 HA LEU 51 HA LEU 51 -2.459 2.631 -2.095 358 1HB LEU 51 1HB LEU 51 -3.004 -0.084 -3.303 359 2HB LEU 51 2HB LEU 51 -1.339 0.528 -3.162 360 HG LEU 51 HG LEU 51 -3.336 -0.080 -0.971 361 1HD1 LEU 51 1HD1 LEU 51 -1.043 -0.972 -0.032 362 2HD1 LEU 51 2HD1 LEU 51 -1.886 -1.892 -1.301 363 3HD1 LEU 51 3HD1 LEU 51 -0.512 -0.844 -1.726 364 1HD2 LEU 51 1HD2 LEU 51 -2.651 2.167 -0.443 365 2HD2 LEU 51 2HD2 LEU 51 -1.670 1.081 0.571 366 3HD2 LEU 51 3HD2 LEU 51 -0.962 1.821 -0.886 367 H GLN 52 H GLN 52 -1.212 3.954 -3.280 368 HA GLN 52 HA GLN 52 -1.604 3.909 -6.233 369 1HB GLN 52 1HB GLN 52 -1.076 6.100 -4.227 370 2HB GLN 52 2HB GLN 52 -0.571 6.303 -5.922 371 1HG GLN 52 1HG GLN 52 -3.136 5.285 -6.173 372 2HG GLN 52 2HG GLN 52 -3.274 6.323 -4.738 373 1HE2 GLN 52 1HE2 GLN 52 -1.749 6.370 -8.016 374 2HE2 GLN 52 2HE2 GLN 52 -2.174 8.030 -8.375 375 H PHE 53 H PHE 53 0.006 2.771 -7.162 376 HA PHE 53 HA PHE 53 2.778 3.448 -6.339 377 1HB PHE 53 1HB PHE 53 3.401 1.088 -6.519 378 2HB PHE 53 2HB PHE 53 2.177 1.331 -5.261 379 HD1 PHE 53 1HD PHE 53 -0.140 0.564 -5.596 380 HD2 PHE 53 2HD PHE 53 2.922 -0.183 -8.515 381 HE1 PHE 53 1HE PHE 53 -1.577 -1.154 -6.663 382 HE2 PHE 53 2HE PHE 53 1.485 -1.901 -9.582 383 HZ PHE 53 HZ PHE 53 -0.764 -2.386 -8.656 384 H GLN 54 H GLN 54 4.363 3.091 -8.029 385 HA GLN 54 HA GLN 54 3.120 3.308 -10.718 386 1HB GLN 54 1HB GLN 54 4.814 5.021 -9.542 387 2HB GLN 54 2HB GLN 54 6.014 3.894 -10.221 388 1HG GLN 54 1HG GLN 54 5.198 4.215 -12.445 389 2HG GLN 54 2HG GLN 54 3.730 5.032 -11.867 390 1HE2 GLN 54 1HE2 GLN 54 7.185 5.338 -12.512 391 2HE2 GLN 54 2HE2 GLN 54 7.274 7.078 -12.334 392 H ARG 55 H ARG 55 3.062 1.446 -11.827 393 HA ARG 55 HA ARG 55 4.377 -0.916 -11.208 394 1HB ARG 55 1HB ARG 55 2.549 -0.200 -13.041 395 2HB ARG 55 2HB ARG 55 3.978 -0.260 -14.100 396 1HG ARG 55 1HG ARG 55 4.120 -2.525 -13.969 397 2HG ARG 55 2HG ARG 55 3.789 -2.534 -12.220 398 1HD ARG 55 1HD ARG 55 1.364 -1.729 -13.267 399 2HD ARG 55 2HD ARG 55 1.940 -2.868 -14.503 400 HE ARG 55 HE ARG 55 0.938 -3.528 -11.901 401 1HH1 ARG 55 1HH1 ARG 55 2.208 -6.818 -11.986 402 2HH1 ARG 55 2HH1 ARG 55 1.087 -5.726 -11.204 403 1HH2 ARG 55 1HH2 ARG 55 3.544 -6.059 -13.725 404 2HH2 ARG 55 2HH2 ARG 55 3.431 -4.395 -14.253 405 H ASN 56 H ASN 56 5.356 1.374 -13.829 406 HA ASN 56 HA ASN 56 8.121 0.309 -13.535 407 1HB ASN 56 1HB ASN 56 6.608 1.562 -15.844 408 2HB ASN 56 2HB ASN 56 8.376 1.384 -15.849 409 1HD2 ASN 56 1HD2 ASN 56 9.178 -0.904 -15.255 410 2HD2 ASN 56 2HD2 ASN 56 8.303 -2.237 -15.975 411 H LEU 57 H LEU 57 9.857 1.730 -13.307 412 HA LEU 57 HA LEU 57 9.146 4.322 -12.150 413 1HB LEU 57 1HB LEU 57 10.828 2.993 -11.027 414 2HB LEU 57 2HB LEU 57 11.775 2.840 -12.526 415 HG LEU 57 HG LEU 57 12.105 5.298 -12.562 416 1HD1 LEU 57 1HD1 LEU 57 11.230 5.704 -9.779 417 2HD1 LEU 57 2HD1 LEU 57 10.950 6.713 -11.218 418 3HD1 LEU 57 3HD1 LEU 57 9.886 5.325 -10.884 419 1HD2 LEU 57 1HD2 LEU 57 13.329 5.352 -10.193 420 2HD2 LEU 57 2HD2 LEU 57 12.925 3.619 -10.204 421 3HD2 LEU 57 3HD2 LEU 57 13.922 4.309 -11.507 422 H SER 58 H SER 58 11.022 3.048 -14.941 423 HA SER 58 HA SER 58 11.908 5.518 -15.953 424 1HB SER 58 1HB SER 58 12.340 2.984 -16.643 425 2HB SER 58 2HB SER 58 11.052 3.330 -17.822 426 HG SER 58 HG SER 58 13.020 5.261 -17.541 427 H ASP 59 H ASP 59 8.858 3.712 -16.535 428 HA ASP 59 HA ASP 59 7.833 6.079 -18.013 429 1HB ASP 59 1HB ASP 59 7.745 3.882 -19.157 430 2HB ASP 59 2HB ASP 59 6.768 3.236 -17.820 431 HA PRO 60 HA PRO 60 5.318 7.129 -14.555 432 1HB PRO 60 1HB PRO 60 3.469 8.708 -15.784 433 2HB PRO 60 2HB PRO 60 5.195 9.185 -15.672 434 1HG PRO 60 1HG PRO 60 3.816 7.806 -17.994 435 2HG PRO 60 2HG PRO 60 4.820 9.292 -18.051 436 1HD PRO 60 1HD PRO 60 5.877 6.841 -18.602 437 2HD PRO 60 2HD PRO 60 6.812 8.041 -17.658 438 H ARG 61 H ARG 61 4.921 4.501 -15.401 439 HA ARG 61 HA ARG 61 2.178 4.063 -16.207 440 1HB ARG 61 1HB ARG 61 4.587 2.535 -15.854 441 2HB ARG 61 2HB ARG 61 3.281 1.763 -14.923 442 1HG ARG 61 1HG ARG 61 2.781 2.721 -17.748 443 2HG ARG 61 2HG ARG 61 3.568 1.151 -17.459 444 1HD ARG 61 1HD ARG 61 1.634 0.192 -16.789 445 2HD ARG 61 2HD ARG 61 1.227 1.566 -15.739 446 HE ARG 61 HE ARG 61 -0.105 2.440 -17.421 447 1HH1 ARG 61 1HH1 ARG 61 -0.559 1.273 -20.719 448 2HH1 ARG 61 2HH1 ARG 61 -1.132 2.379 -19.491 449 1HH2 ARG 61 1HH2 ARG 61 1.233 -0.132 -20.270 450 2HH2 ARG 61 2HH2 ARG 61 2.010 -0.086 -18.704 451 H LEU 62 H LEU 62 1.094 5.427 -14.609 452 HA LEU 62 HA LEU 62 1.271 4.716 -11.801 453 1HB LEU 62 1HB LEU 62 0.069 6.783 -13.459 454 2HB LEU 62 2HB LEU 62 -1.096 6.169 -12.261 455 HG LEU 62 HG LEU 62 0.619 8.106 -11.627 456 1HD1 LEU 62 1HD1 LEU 62 0.426 5.835 -9.648 457 2HD1 LEU 62 2HD1 LEU 62 0.206 7.581 -9.386 458 3HD1 LEU 62 3HD1 LEU 62 -1.059 6.639 -10.210 459 1HD2 LEU 62 1HD2 LEU 62 2.230 5.683 -10.797 460 2HD2 LEU 62 2HD2 LEU 62 2.515 6.461 -12.372 461 3HD2 LEU 62 3HD2 LEU 62 2.730 7.390 -10.868 462 H GLU 63 H GLU 63 -0.050 3.392 -10.621 463 HA GLU 63 HA GLU 63 -2.366 2.176 -12.029 464 1HB GLU 63 1HB GLU 63 -0.214 0.686 -10.475 465 2HB GLU 63 2HB GLU 63 -1.705 -0.033 -11.128 466 1HG GLU 63 1HG GLU 63 0.533 1.289 -12.714 467 2HG GLU 63 2HG GLU 63 0.130 -0.442 -12.684 468 H THR 64 H THR 64 -4.142 1.809 -10.741 469 HA THR 64 HA THR 64 -3.823 2.584 -7.878 470 HB THR 64 HB THR 64 -6.354 3.159 -8.198 471 HG1 THR 64 1HG THR 64 -5.427 3.482 -10.853 472 1HG2 THR 64 1HG2 THR 64 -4.389 4.941 -9.668 473 2HG2 THR 64 2HG2 THR 64 -5.757 5.414 -8.632 474 3HG2 THR 64 3HG2 THR 64 -4.293 4.707 -7.906 475 H ILE 65 H ILE 65 -4.706 1.262 -6.332 476 HA ILE 65 HA ILE 65 -6.319 -1.048 -7.258 477 HB ILE 65 HB ILE 65 -3.845 -1.636 -7.067 478 1HG1 ILE 65 1HG1 ILE 65 -5.791 -3.002 -5.158 479 2HG1 ILE 65 2HG1 ILE 65 -5.672 -3.309 -6.907 480 1HG2 ILE 65 1HG2 ILE 65 -3.477 -0.151 -5.056 481 2HG2 ILE 65 2HG2 ILE 65 -4.431 -1.307 -4.096 482 3HG2 ILE 65 3HG2 ILE 65 -2.897 -1.820 -4.838 483 1HD1 ILE 65 1HD1 ILE 65 -4.391 -5.022 -5.770 484 2HD1 ILE 65 2HD1 ILE 65 -3.238 -3.911 -6.548 485 3HD1 ILE 65 3HD1 ILE 65 -3.534 -3.804 -4.796 486 H THR 66 H THR 66 -8.125 -1.195 -6.067 487 HA THR 66 HA THR 66 -8.148 0.186 -3.437 488 HB THR 66 HB THR 66 -10.347 -0.641 -5.366 489 HG1 THR 66 1HG THR 66 -9.657 1.259 -6.024 490 1HG2 THR 66 1HG2 THR 66 -11.763 -0.651 -3.612 491 2HG2 THR 66 2HG2 THR 66 -10.421 -0.296 -2.498 492 3HG2 THR 66 3HG2 THR 66 -11.313 1.037 -3.271 493 H LEU 67 H LEU 67 -8.096 -1.008 -1.635 494 HA LEU 67 HA LEU 67 -8.575 -3.918 -1.878 495 1HB LEU 67 1HB LEU 67 -7.470 -2.323 0.464 496 2HB LEU 67 2HB LEU 67 -7.400 -4.086 0.227 497 HG LEU 67 HG LEU 67 -6.287 -2.400 -1.975 498 1HD1 LEU 67 1HD1 LEU 67 -4.414 -2.931 0.280 499 2HD1 LEU 67 2HD1 LEU 67 -4.483 -1.554 -0.846 500 3HD1 LEU 67 3HD1 LEU 67 -5.592 -1.623 0.545 501 1HD2 LEU 67 1HD2 LEU 67 -6.328 -5.089 -1.281 502 2HD2 LEU 67 2HD2 LEU 67 -5.221 -4.344 -2.459 503 3HD2 LEU 67 3HD2 LEU 67 -4.701 -4.575 -0.772 504 H GLN 68 H GLN 68 -10.421 -4.822 -1.185 505 HA GLN 68 HA GLN 68 -12.423 -3.131 0.107 506 1HB GLN 68 1HB GLN 68 -12.435 -6.051 -0.755 507 2HB GLN 68 2HB GLN 68 -13.848 -5.155 -0.146 508 1HG GLN 68 1HG GLN 68 -12.219 -4.123 -2.482 509 2HG GLN 68 2HG GLN 68 -13.513 -5.318 -2.721 510 1HE2 GLN 68 1HE2 GLN 68 -12.758 -2.029 -1.572 511 2HE2 GLN 68 2HE2 GLN 68 -14.385 -1.399 -1.717 512 H LYS 69 H LYS 69 -13.776 -4.557 1.860 513 HA LYS 69 HA LYS 69 -12.274 -4.469 4.225 514 1HB LYS 69 1HB LYS 69 -14.671 -6.272 3.768 515 2HB LYS 69 2HB LYS 69 -14.178 -5.451 5.268 516 1HG LYS 69 1HG LYS 69 -14.432 -3.450 3.239 517 2HG LYS 69 2HG LYS 69 -15.886 -4.474 3.164 518 1HD LYS 69 1HD LYS 69 -16.374 -4.103 5.488 519 2HD LYS 69 2HD LYS 69 -14.784 -3.355 5.769 520 1HE LYS 69 1HE LYS 69 -15.706 -1.355 5.314 521 2HE LYS 69 2HE LYS 69 -15.954 -1.902 3.642 522 1HZ LYS 69 1HZ LYS 69 -18.048 -1.446 4.239 523 2HZ LYS 69 2HZ LYS 69 -18.006 -3.014 4.749 524 3HZ LYS 69 3HZ LYS 69 -17.828 -1.787 5.838 525 H TRP 70 H TRP 70 -10.783 -5.776 5.111 526 HA TRP 70 HA TRP 70 -9.441 -7.598 5.448 527 1HB TRP 70 1HB TRP 70 -11.804 -9.199 4.430 528 2HB TRP 70 2HB TRP 70 -10.481 -9.778 5.451 529 HD1 TRP 70 HD TRP 70 -13.923 -8.617 5.650 530 HE1 TRP 70 1HE TRP 70 -14.622 -8.040 8.030 531 HE3 TRP 70 3HE TRP 70 -9.298 -8.481 7.839 532 HZ2 TRP 70 2HZ TRP 70 -13.339 -7.573 10.582 533 HZ3 TRP 70 3HZ TRP 70 -9.077 -7.967 10.242 534 HH2 TRP 70 HH TRP 70 -11.082 -7.512 11.625 535 H GLY 71 H GLY 71 -9.544 -6.213 2.808 536 1HA GLY 71 1HA GLY 71 -9.089 -8.326 0.837 537 2HA GLY 71 2HA GLY 71 -8.950 -6.571 0.585 538 H SER 72 H SER 72 -7.079 -8.706 -0.235 539 HA SER 72 HA SER 72 -4.677 -7.617 1.122 540 1HB SER 72 1HB SER 72 -4.362 -10.425 0.409 541 2HB SER 72 2HB SER 72 -4.048 -9.608 1.958 542 HG SER 72 HG SER 72 -5.695 -11.022 2.316 543 H TRP 73 H TRP 73 -2.703 -7.891 -0.178 544 HA TRP 73 HA TRP 73 -3.301 -8.307 -3.066 545 1HB TRP 73 1HB TRP 73 -3.139 -5.874 -2.312 546 2HB TRP 73 2HB TRP 73 -1.435 -6.196 -1.961 547 HD1 TRP 73 HD TRP 73 -3.104 -7.676 -5.051 548 HE1 TRP 73 1HE TRP 73 -2.101 -6.657 -7.159 549 HE3 TRP 73 3HE TRP 73 -0.214 -4.043 -2.895 550 HZ2 TRP 73 2HZ TRP 73 -0.266 -4.525 -7.838 551 HZ3 TRP 73 3HZ TRP 73 1.145 -2.540 -4.302 552 HH2 TRP 73 HH TRP 73 1.131 -2.767 -6.769 553 H ASN 74 H ASN 74 -1.715 -9.353 -4.247 554 HA ASN 74 HA ASN 74 0.889 -9.877 -3.006 555 1HB ASN 74 1HB ASN 74 0.563 -12.371 -3.359 556 2HB ASN 74 2HB ASN 74 -0.336 -11.664 -1.999 557 1HD2 ASN 74 1HD2 ASN 74 -2.569 -11.700 -1.989 558 2HD2 ASN 74 2HD2 ASN 74 -3.531 -12.426 -3.259 559 HA PRO 75 HA PRO 75 0.822 -9.414 -7.616 560 1HB PRO 75 1HB PRO 75 2.717 -7.463 -7.777 561 2HB PRO 75 2HB PRO 75 1.017 -7.096 -7.339 562 1HG PRO 75 1HG PRO 75 3.345 -7.548 -5.450 563 2HG PRO 75 2HG PRO 75 2.210 -6.159 -5.465 564 1HD PRO 75 1HD PRO 75 1.827 -8.290 -3.809 565 2HD PRO 75 2HD PRO 75 0.436 -7.515 -4.626 566 H GLY 76 H GLY 76 4.036 -8.440 -6.520 567 1HA GLY 76 1HA GLY 76 5.371 -10.815 -6.146 568 2HA GLY 76 2HA GLY 76 5.245 -10.673 -7.914 569 H HIS 77 H HIS 77 6.002 -8.566 -5.077 570 HA HIS 77 HA HIS 77 7.718 -7.090 -4.727 571 1HB HIS 77 1HB HIS 77 9.174 -8.968 -5.318 572 2HB HIS 77 2HB HIS 77 8.986 -8.594 -7.042 573 HD1 HIS 77 1HD HIS 77 9.571 -5.550 -7.139 574 HD2 HIS 77 2HD HIS 77 11.615 -8.327 -4.707 575 HE1 HIS 77 1HE HIS 77 11.851 -4.502 -6.585 576 HE2 HIS 77 2HE HIS 77 13.083 -6.198 -5.108 577 H ILE 78 H ILE 78 6.577 -5.224 -5.240 578 HA ILE 78 HA ILE 78 6.449 -4.385 -8.059 579 HB ILE 78 HB ILE 78 5.425 -3.081 -5.506 580 1HG1 ILE 78 1HG1 ILE 78 4.541 -5.417 -6.610 581 2HG1 ILE 78 2HG1 ILE 78 3.481 -4.260 -5.769 582 1HG2 ILE 78 1HG2 ILE 78 5.745 -1.427 -7.255 583 2HG2 ILE 78 2HG2 ILE 78 4.996 -2.497 -8.464 584 3HG2 ILE 78 3HG2 ILE 78 4.008 -1.801 -7.159 585 1HD1 ILE 78 1HD1 ILE 78 4.066 -3.978 -8.729 586 2HD1 ILE 78 2HD1 ILE 78 2.780 -5.062 -8.146 587 3HD1 ILE 78 3HD1 ILE 78 2.703 -3.319 -7.793 588 H HIS 79 H HIS 79 7.344 -2.395 -8.811 589 HA HIS 79 HA HIS 79 9.982 -1.894 -8.193 590 1HB HIS 79 1HB HIS 79 9.173 -0.922 -10.154 591 2HB HIS 79 2HB HIS 79 7.769 -0.206 -9.341 592 HD1 HIS 79 1HD HIS 79 11.557 0.253 -8.568 593 HD2 HIS 79 2HD HIS 79 8.039 2.366 -9.547 594 HE1 HIS 79 1HE HIS 79 12.158 2.751 -8.498 595 HE2 HIS 79 2HE HIS 79 10.013 4.024 -9.094 596 H GLU 80 H GLU 80 7.535 0.591 -7.344 597 HA GLU 80 HA GLU 80 8.307 0.575 -4.542 598 1HB GLU 80 1HB GLU 80 10.214 1.764 -5.695 599 2HB GLU 80 2HB GLU 80 9.045 2.996 -6.226 600 1HG GLU 80 1HG GLU 80 8.449 2.812 -3.555 601 2HG GLU 80 2HG GLU 80 10.197 2.495 -3.537 602 H ILE 81 H ILE 81 6.912 1.857 -3.262 603 HA ILE 81 HA ILE 81 4.349 2.404 -4.543 604 HB ILE 81 HB ILE 81 5.336 2.680 -1.678 605 1HG1 ILE 81 1HG1 ILE 81 5.227 0.362 -2.671 606 2HG1 ILE 81 2HG1 ILE 81 4.112 0.614 -1.306 607 1HG2 ILE 81 1HG2 ILE 81 3.507 4.173 -1.849 608 2HG2 ILE 81 2HG2 ILE 81 2.647 3.127 -3.004 609 3HG2 ILE 81 3HG2 ILE 81 2.764 2.655 -1.292 610 1HD1 ILE 81 1HD1 ILE 81 3.492 -0.158 -4.012 611 2HD1 ILE 81 2HD1 ILE 81 2.384 0.041 -2.633 612 3HD1 ILE 81 3HD1 ILE 81 2.751 1.428 -3.688 613 H LEU 82 H LEU 82 3.435 4.384 -4.941 614 HA LEU 82 HA LEU 82 5.277 6.676 -4.867 615 1HB LEU 82 1HB LEU 82 2.465 6.404 -6.002 616 2HB LEU 82 2HB LEU 82 3.593 7.754 -6.279 617 HG LEU 82 HG LEU 82 3.764 4.896 -7.259 618 1HD1 LEU 82 1HD1 LEU 82 4.720 6.700 -9.164 619 2HD1 LEU 82 2HD1 LEU 82 3.078 6.015 -9.104 620 3HD1 LEU 82 3HD1 LEU 82 3.410 7.597 -8.359 621 1HD2 LEU 82 1HD2 LEU 82 5.902 5.500 -6.064 622 2HD2 LEU 82 2HD2 LEU 82 6.110 5.228 -7.811 623 3HD2 LEU 82 3HD2 LEU 82 6.069 6.887 -7.167 624 H SER 83 H SER 83 1.798 6.161 -4.031 625 HA SER 83 HA SER 83 2.247 7.628 -1.510 626 1HB SER 83 1HB SER 83 1.571 9.208 -3.463 627 2HB SER 83 2HB SER 83 -0.028 8.435 -3.332 628 HG SER 83 HG SER 83 -0.347 9.398 -1.487 629 H ILE 84 H ILE 84 0.125 7.612 -0.197 630 HA ILE 84 HA ILE 84 -1.404 5.125 -0.775 631 HB ILE 84 HB ILE 84 0.017 5.966 1.761 632 1HG1 ILE 84 1HG1 ILE 84 -0.227 3.331 0.246 633 2HG1 ILE 84 2HG1 ILE 84 1.153 4.451 0.147 634 1HG2 ILE 84 1HG2 ILE 84 -2.275 3.975 1.479 635 2HG2 ILE 84 2HG2 ILE 84 -1.298 4.234 2.944 636 3HG2 ILE 84 3HG2 ILE 84 -2.352 5.533 2.336 637 1HD1 ILE 84 1HD1 ILE 84 1.797 2.811 1.755 638 2HD1 ILE 84 2HD1 ILE 84 1.305 4.230 2.710 639 3HD1 ILE 84 3HD1 ILE 84 0.201 2.844 2.542 640 H ARG 85 H ARG 85 -3.563 5.396 -0.672 641 HA ARG 85 HA ARG 85 -4.562 7.839 0.718 642 1HB ARG 85 1HB ARG 85 -4.623 7.922 -1.813 643 2HB ARG 85 2HB ARG 85 -5.750 6.546 -1.763 644 1HG ARG 85 1HG ARG 85 -7.087 8.033 -0.064 645 2HG ARG 85 2HG ARG 85 -6.147 9.372 -0.764 646 1HD ARG 85 1HD ARG 85 -6.901 8.654 -3.039 647 2HD ARG 85 2HD ARG 85 -7.916 7.410 -2.279 648 HE ARG 85 HE ARG 85 -9.478 9.037 -1.816 649 1HH1 ARG 85 1HH1 ARG 85 -9.172 12.551 -1.817 650 2HH1 ARG 85 2HH1 ARG 85 -10.273 11.202 -1.657 651 1HH2 ARG 85 1HH2 ARG 85 -6.913 12.169 -2.189 652 2HH2 ARG 85 2HH2 ARG 85 -6.312 10.531 -2.309 653 H ILE 86 H ILE 86 -6.100 7.508 2.229 654 HA ILE 86 HA ILE 86 -7.312 4.785 2.343 655 HB ILE 86 HB ILE 86 -6.772 6.709 4.637 656 1HG1 ILE 86 1HG1 ILE 86 -5.242 4.265 3.650 657 2HG1 ILE 86 2HG1 ILE 86 -4.650 5.943 3.705 658 1HG2 ILE 86 1HG2 ILE 86 -7.005 3.943 5.370 659 2HG2 ILE 86 2HG2 ILE 86 -8.071 5.296 5.816 660 3HG2 ILE 86 3HG2 ILE 86 -8.395 4.359 4.339 661 1HD1 ILE 86 1HD1 ILE 86 -5.691 5.076 6.300 662 2HD1 ILE 86 2HD1 ILE 86 -4.383 4.014 5.726 663 3HD1 ILE 86 3HD1 ILE 86 -4.101 5.764 5.891 664 H TYR 87 H TYR 87 -9.508 4.632 2.429 665 HA TYR 87 HA TYR 87 -11.014 7.100 1.962 666 1HB TYR 87 1HB TYR 87 -11.694 4.149 1.986 667 2HB TYR 87 2HB TYR 87 -12.922 5.410 1.784 668 HD1 TYR 87 1HD TYR 87 -13.598 5.724 -0.397 669 HD2 TYR 87 2HD TYR 87 -9.497 4.710 0.381 670 HE1 TYR 87 1HE TYR 87 -13.117 5.805 -2.828 671 HE2 TYR 87 2HE TYR 87 -9.016 4.791 -2.050 672 HH TYR 87 HH TYR 87 -9.869 5.612 -4.129 Start of MODEL 14 1 H MET 1 H MET 1 -3.319 11.871 9.969 2 HA MET 1 HA MET 1 -3.075 12.337 7.081 3 1HB MET 1 1HB MET 1 -1.580 13.055 9.562 4 2HB MET 1 2HB MET 1 -0.624 12.888 8.070 5 1HG MET 1 1HG MET 1 -2.227 14.407 6.918 6 2HG MET 1 2HG MET 1 -3.091 14.623 8.449 7 1HE MET 1 1HE MET 1 -1.898 17.104 6.611 8 2HE MET 1 2HE MET 1 -2.990 17.110 8.016 9 3HE MET 1 3HE MET 1 -1.524 18.120 8.024 10 H ILE 2 H ILE 2 -3.468 9.584 8.040 11 HA ILE 2 HA ILE 2 -2.506 7.493 7.910 12 HB ILE 2 HB ILE 2 -2.816 7.889 5.576 13 1HG1 ILE 2 1HG1 ILE 2 0.123 7.153 5.830 14 2HG1 ILE 2 2HG1 ILE 2 -1.187 6.047 6.307 15 1HG2 ILE 2 1HG2 ILE 2 -1.880 10.180 5.530 16 2HG2 ILE 2 2HG2 ILE 2 -0.239 9.515 5.704 17 3HG2 ILE 2 3HG2 ILE 2 -1.183 9.180 4.233 18 1HD1 ILE 2 1HD1 ILE 2 -2.112 6.087 4.054 19 2HD1 ILE 2 2HD1 ILE 2 -0.944 7.334 3.556 20 3HD1 ILE 2 3HD1 ILE 2 -0.380 5.692 3.948 21 H ASN 3 H ASN 3 -1.251 7.366 9.788 22 HA ASN 3 HA ASN 3 1.574 8.246 9.545 23 1HB ASN 3 1HB ASN 3 -0.308 7.678 11.826 24 2HB ASN 3 2HB ASN 3 1.446 7.549 12.082 25 1HD2 ASN 3 1HD2 ASN 3 -1.266 9.681 11.729 26 2HD2 ASN 3 2HD2 ASN 3 -0.388 11.192 11.825 27 H ARG 4 H ARG 4 3.289 6.796 10.047 28 HA ARG 4 HA ARG 4 2.784 4.089 9.140 29 1HB ARG 4 1HB ARG 4 4.846 5.461 8.631 30 2HB ARG 4 2HB ARG 4 5.318 5.267 10.337 31 1HG ARG 4 1HG ARG 4 5.905 3.081 10.055 32 2HG ARG 4 2HG ARG 4 4.533 2.753 8.969 33 1HD ARG 4 1HD ARG 4 5.981 2.806 7.246 34 2HD ARG 4 2HD ARG 4 6.184 4.545 7.552 35 HE ARG 4 HE ARG 4 7.840 2.929 9.291 36 1HH1 ARG 4 1HH1 ARG 4 10.731 3.578 7.377 37 2HH1 ARG 4 2HH1 ARG 4 10.118 2.975 8.900 38 1HH2 ARG 4 1HH2 ARG 4 9.259 4.330 5.749 39 2HH2 ARG 4 2HH2 ARG 4 7.535 4.296 6.044 40 H THR 5 H THR 5 1.810 2.663 10.470 41 HA THR 5 HA THR 5 2.693 2.649 13.319 42 HB THR 5 HB THR 5 0.319 3.277 13.010 43 HG1 THR 5 1HG THR 5 -0.057 2.124 14.708 44 1HG2 THR 5 1HG2 THR 5 0.319 0.678 11.450 45 2HG2 THR 5 2HG2 THR 5 -1.172 1.300 12.197 46 3HG2 THR 5 3HG2 THR 5 -0.321 2.268 10.969 47 H ASP 6 H ASP 6 2.993 0.592 14.319 48 HA ASP 6 HA ASP 6 3.866 -1.458 12.390 49 1HB ASP 6 1HB ASP 6 5.231 -0.590 14.398 50 2HB ASP 6 2HB ASP 6 4.115 -1.538 15.406 51 H CYS 7 H CYS 7 1.017 -0.971 12.655 52 HA CYS 7 HA CYS 7 -0.955 -2.067 13.093 53 1HB CYS 7 1HB CYS 7 -0.377 -4.738 12.960 54 2HB CYS 7 2HB CYS 7 -0.652 -3.684 11.563 55 H ASN 8 H ASN 8 -1.253 -1.434 15.271 56 HA ASN 8 HA ASN 8 -0.105 -3.085 17.394 57 1HB ASN 8 1HB ASN 8 -2.084 -0.776 17.406 58 2HB ASN 8 2HB ASN 8 -1.413 -1.546 18.860 59 1HD2 ASN 8 1HD2 ASN 8 -0.562 0.257 15.885 60 2HD2 ASN 8 2HD2 ASN 8 0.930 0.932 16.502 61 H GLU 9 H GLU 9 -3.174 -2.689 15.656 62 HA GLU 9 HA GLU 9 -4.198 -5.049 17.159 63 1HB GLU 9 1HB GLU 9 -6.443 -4.057 17.059 64 2HB GLU 9 2HB GLU 9 -5.322 -2.977 17.922 65 1HG GLU 9 1HG GLU 9 -5.422 -1.373 16.307 66 2HG GLU 9 2HG GLU 9 -5.446 -2.563 14.987 67 H ASN 10 H ASN 10 -6.512 -5.482 15.728 68 HA ASN 10 HA ASN 10 -5.385 -6.296 13.118 69 1HB ASN 10 1HB ASN 10 -7.141 -7.464 15.058 70 2HB ASN 10 2HB ASN 10 -8.048 -7.253 13.545 71 1HD2 ASN 10 1HD2 ASN 10 -6.007 -9.312 15.239 72 2HD2 ASN 10 2HD2 ASN 10 -5.399 -10.268 13.904 73 H SER 11 H SER 11 -7.128 -6.327 11.291 74 HA SER 11 HA SER 11 -8.484 -5.142 9.876 75 1HB SER 11 1HB SER 11 -10.336 -4.953 11.200 76 2HB SER 11 2HB SER 11 -9.415 -4.307 12.579 77 HG SER 11 HG SER 11 -9.981 -2.878 10.191 78 H TYR 12 H TYR 12 -6.302 -4.375 9.142 79 HA TYR 12 HA TYR 12 -6.345 -1.489 8.931 80 1HB TYR 12 1HB TYR 12 -4.469 -2.878 10.792 81 2HB TYR 12 2HB TYR 12 -3.799 -1.589 9.778 82 HD1 TYR 12 1HD TYR 12 -6.185 0.237 9.653 83 HD2 TYR 12 2HD TYR 12 -4.424 -1.901 12.936 84 HE1 TYR 12 1HE TYR 12 -7.066 1.935 11.231 85 HE2 TYR 12 2HE TYR 12 -5.306 -0.204 14.514 86 HH TYR 12 HH TYR 12 -7.522 2.343 13.521 87 H LEU 13 H LEU 13 -4.420 -0.740 7.571 88 HA LEU 13 HA LEU 13 -4.021 -2.751 5.452 89 1HB LEU 13 1HB LEU 13 -4.707 -0.753 4.489 90 2HB LEU 13 2HB LEU 13 -3.838 0.243 5.682 91 HG LEU 13 HG LEU 13 -1.692 -0.874 4.634 92 1HD1 LEU 13 1HD1 LEU 13 -2.197 -2.339 2.981 93 2HD1 LEU 13 2HD1 LEU 13 -3.880 -1.767 2.885 94 3HD1 LEU 13 3HD1 LEU 13 -2.597 -0.911 1.995 95 1HD2 LEU 13 1HD2 LEU 13 -1.509 1.297 4.049 96 2HD2 LEU 13 2HD2 LEU 13 -2.410 0.918 2.562 97 3HD2 LEU 13 3HD2 LEU 13 -3.279 1.481 4.010 98 H GLU 14 H GLU 14 -2.177 -3.875 5.248 99 HA GLU 14 HA GLU 14 0.305 -2.692 6.377 100 1HB GLU 14 1HB GLU 14 -0.454 -5.617 6.665 101 2HB GLU 14 2HB GLU 14 0.896 -4.752 7.437 102 1HG GLU 14 1HG GLU 14 -0.477 -4.403 9.192 103 2HG GLU 14 2HG GLU 14 -1.366 -3.267 8.153 104 H ILE 15 H ILE 15 1.728 -2.485 4.765 105 HA ILE 15 HA ILE 15 1.549 -4.393 2.491 106 HB ILE 15 HB ILE 15 2.920 -1.681 2.653 107 1HG1 ILE 15 1HG1 ILE 15 0.408 -2.213 1.086 108 2HG1 ILE 15 2HG1 ILE 15 0.271 -1.948 2.841 109 1HG2 ILE 15 1HG2 ILE 15 3.005 -3.862 0.773 110 2HG2 ILE 15 2HG2 ILE 15 2.159 -2.491 0.016 111 3HG2 ILE 15 3HG2 ILE 15 3.802 -2.274 0.666 112 1HD1 ILE 15 1HD1 ILE 15 0.701 -0.005 0.742 113 2HD1 ILE 15 2HD1 ILE 15 0.444 0.270 2.482 114 3HD1 ILE 15 3HD1 ILE 15 2.089 0.011 1.855 115 H HIS 16 H HIS 16 3.094 -5.899 2.280 116 HA HIS 16 HA HIS 16 5.674 -5.428 3.700 117 1HB HIS 16 1HB HIS 16 5.772 -7.834 4.089 118 2HB HIS 16 2HB HIS 16 4.287 -7.157 4.782 119 HD1 HIS 16 1HD HIS 16 5.463 -9.667 2.210 120 HD2 HIS 16 2HD HIS 16 1.940 -7.691 3.429 121 HE1 HIS 16 1HE HIS 16 3.501 -10.936 1.140 122 HE2 HIS 16 2HE HIS 16 1.368 -9.726 1.887 123 H ASN 17 H ASN 17 7.030 -4.799 2.086 124 HA ASN 17 HA ASN 17 6.917 -6.285 -0.478 125 1HB ASN 17 1HB ASN 17 8.426 -4.441 -1.256 126 2HB ASN 17 2HB ASN 17 6.838 -3.878 -0.692 127 1HD2 ASN 17 1HD2 ASN 17 8.491 -1.881 -0.719 128 2HD2 ASN 17 2HD2 ASN 17 9.187 -1.521 0.846 129 H ASN 18 H ASN 18 9.446 -6.109 -1.411 130 HA ASN 18 HA ASN 18 11.469 -7.176 -1.342 131 1HB ASN 18 1HB ASN 18 11.195 -6.249 1.530 132 2HB ASN 18 2HB ASN 18 12.640 -7.100 0.943 133 1HD2 ASN 18 1HD2 ASN 18 11.853 -4.164 1.793 134 2HD2 ASN 18 2HD2 ASN 18 12.604 -3.192 0.546 135 H GLU 19 H GLU 19 9.041 -8.749 -1.098 136 HA GLU 19 HA GLU 19 8.504 -10.953 -0.777 137 1HB GLU 19 1HB GLU 19 11.420 -11.140 0.071 138 2HB GLU 19 2HB GLU 19 10.341 -12.536 -0.165 139 1HG GLU 19 1HG GLU 19 9.962 -11.855 -2.508 140 2HG GLU 19 2HG GLU 19 11.022 -10.447 -2.275 141 H GLY 20 H GLY 20 8.911 -8.726 1.505 142 1HA GLY 20 1HA GLY 20 7.595 -8.884 3.526 143 2HA GLY 20 2HA GLY 20 8.070 -10.592 3.668 144 H ARG 21 H ARG 21 10.109 -7.737 2.912 145 HA ARG 21 HA ARG 21 11.854 -8.502 5.178 146 1HB ARG 21 1HB ARG 21 12.628 -8.107 2.718 147 2HB ARG 21 2HB ARG 21 12.445 -6.380 3.109 148 1HG ARG 21 1HG ARG 21 13.879 -7.992 5.153 149 2HG ARG 21 2HG ARG 21 14.720 -7.827 3.593 150 1HD ARG 21 1HD ARG 21 14.358 -5.351 3.715 151 2HD ARG 21 2HD ARG 21 13.647 -5.567 5.329 152 HE ARG 21 HE ARG 21 16.469 -5.629 4.625 153 1HH1 ARG 21 1HH1 ARG 21 17.369 -6.508 7.920 154 2HH1 ARG 21 2HH1 ARG 21 17.949 -5.932 6.374 155 1HH2 ARG 21 1HH2 ARG 21 15.114 -6.969 8.216 156 2HH2 ARG 21 2HH2 ARG 21 13.994 -6.740 6.892 157 H ASP 22 H ASP 22 10.055 -5.722 3.797 158 HA ASP 22 HA ASP 22 10.214 -4.452 6.488 159 1HB ASP 22 1HB ASP 22 10.506 -3.191 3.741 160 2HB ASP 22 2HB ASP 22 10.190 -2.257 5.219 161 H THR 23 H THR 23 8.229 -4.397 7.357 162 HA THR 23 HA THR 23 5.905 -4.317 5.509 163 HB THR 23 HB THR 23 6.100 -5.035 8.461 164 HG1 THR 23 1HG THR 23 5.970 -6.518 6.057 165 1HG2 THR 23 1HG2 THR 23 3.774 -5.648 6.641 166 2HG2 THR 23 2HG2 THR 23 3.806 -5.469 8.411 167 3HG2 THR 23 3HG2 THR 23 3.908 -4.030 7.369 168 H LEU 24 H LEU 24 4.238 -2.794 5.798 169 HA LEU 24 HA LEU 24 4.818 -0.585 7.698 170 1HB LEU 24 1HB LEU 24 3.868 -0.051 4.877 171 2HB LEU 24 2HB LEU 24 4.615 1.070 6.040 172 HG LEU 24 HG LEU 24 6.414 -1.137 5.602 173 1HD1 LEU 24 1HD1 LEU 24 6.580 -1.363 3.325 174 2HD1 LEU 24 2HD1 LEU 24 4.855 -0.930 3.385 175 3HD1 LEU 24 3HD1 LEU 24 6.073 0.315 3.017 176 1HD2 LEU 24 1HD2 LEU 24 7.956 0.589 5.303 177 2HD2 LEU 24 2HD2 LEU 24 6.788 1.622 4.445 178 3HD2 LEU 24 3HD2 LEU 24 6.676 1.429 6.211 179 H CYS 25 H CYS 25 3.112 -0.547 9.034 180 HA CYS 25 HA CYS 25 0.450 -1.269 7.940 181 1HB CYS 25 1HB CYS 25 1.102 -0.811 10.844 182 2HB CYS 25 2HB CYS 25 -0.169 -1.815 10.128 183 H PHE 26 H PHE 26 -0.829 0.367 7.328 184 HA PHE 26 HA PHE 26 -0.422 3.007 8.643 185 1HB PHE 26 1HB PHE 26 -1.627 2.249 5.962 186 2HB PHE 26 2HB PHE 26 -1.574 3.894 6.616 187 HD1 PHE 26 1HD PHE 26 0.196 1.363 4.768 188 HD2 PHE 26 2HD PHE 26 0.717 4.921 7.118 189 HE1 PHE 26 1HE PHE 26 2.455 1.676 3.794 190 HE2 PHE 26 2HE PHE 26 2.976 5.233 6.144 191 HZ PHE 26 HZ PHE 26 3.845 3.611 4.482 192 H ALA 27 H ALA 27 -2.292 4.240 9.243 193 HA ALA 27 HA ALA 27 -4.844 2.745 9.337 194 1HB ALA 27 1HB ALA 27 -3.550 2.303 11.454 195 2HB ALA 27 2HB ALA 27 -3.585 4.054 11.777 196 3HB ALA 27 3HB ALA 27 -5.105 3.130 11.711 197 H ASN 28 H ASN 28 -6.550 4.326 10.436 198 HA ASN 28 HA ASN 28 -7.680 6.317 10.327 199 1HB ASN 28 1HB ASN 28 -4.825 7.260 10.096 200 2HB ASN 28 2HB ASN 28 -6.164 8.405 9.861 201 1HD2 ASN 28 1HD2 ASN 28 -7.151 9.277 11.623 202 2HD2 ASN 28 2HD2 ASN 28 -6.886 8.755 13.273 203 H ALA 29 H ALA 29 -8.808 7.444 8.748 204 HA ALA 29 HA ALA 29 -8.567 6.488 6.078 205 1HB ALA 29 1HB ALA 29 -10.716 7.175 6.629 206 2HB ALA 29 2HB ALA 29 -10.146 8.623 7.494 207 3HB ALA 29 3HB ALA 29 -10.135 8.588 5.714 208 H GLY 30 H GLY 30 -6.678 8.713 7.783 209 1HA GLY 30 1HA GLY 30 -6.177 10.856 6.145 210 2HA GLY 30 2HA GLY 30 -4.904 9.992 7.037 211 H THR 31 H THR 31 -4.533 11.277 4.490 212 HA THR 31 HA THR 31 -3.760 8.888 2.912 213 HB THR 31 HB THR 31 -5.301 11.311 1.919 214 HG1 THR 31 1HG THR 31 -6.652 9.716 2.531 215 1HG2 THR 31 1HG2 THR 31 -3.348 10.760 0.442 216 2HG2 THR 31 2HG2 THR 31 -3.970 9.098 0.300 217 3HG2 THR 31 3HG2 THR 31 -4.919 10.461 -0.341 218 H MET 32 H MET 32 -1.623 8.964 2.591 219 HA MET 32 HA MET 32 -0.381 11.590 2.019 220 1HB MET 32 1HB MET 32 1.389 11.219 3.622 221 2HB MET 32 2HB MET 32 -0.165 11.077 4.478 222 1HG MET 32 1HG MET 32 -0.066 8.681 4.433 223 2HG MET 32 2HG MET 32 1.308 8.695 3.315 224 1HE MET 32 1HE MET 32 1.503 6.854 5.002 225 2HE MET 32 2HE MET 32 3.073 7.010 5.825 226 3HE MET 32 3HE MET 32 1.563 7.102 6.764 227 HA PRO 33 HA PRO 33 1.797 9.291 -1.018 228 1HB PRO 33 1HB PRO 33 4.097 10.728 -1.284 229 2HB PRO 33 2HB PRO 33 2.497 11.417 -1.712 230 1HG PRO 33 1HG PRO 33 3.999 11.742 0.902 231 2HG PRO 33 2HG PRO 33 3.312 13.041 -0.127 232 1HD PRO 33 1HD PRO 33 1.942 12.046 2.008 233 2HD PRO 33 2HD PRO 33 1.087 12.442 0.487 234 H VAL 34 H VAL 34 2.955 7.429 -0.969 235 HA VAL 34 HA VAL 34 5.077 7.159 1.095 236 HB VAL 34 HB VAL 34 4.259 5.013 1.761 237 1HG1 VAL 34 1HG1 VAL 34 3.086 6.780 2.896 238 2HG1 VAL 34 2HG1 VAL 34 2.032 7.069 1.491 239 3HG1 VAL 34 3HG1 VAL 34 1.861 5.572 2.438 240 1HG2 VAL 34 1HG2 VAL 34 2.106 4.134 0.680 241 2HG2 VAL 34 2HG2 VAL 34 2.369 5.346 -0.597 242 3HG2 VAL 34 3HG2 VAL 34 3.572 4.062 -0.328 243 H ALA 35 H ALA 35 6.580 5.350 0.607 244 HA ALA 35 HA ALA 35 6.664 4.750 -2.310 245 1HB ALA 35 1HB ALA 35 9.007 5.475 -0.506 246 2HB ALA 35 2HB ALA 35 9.097 5.059 -2.235 247 3HB ALA 35 3HB ALA 35 8.271 6.549 -1.720 248 H ILE 36 H ILE 36 6.333 2.615 -2.506 249 HA ILE 36 HA ILE 36 7.772 0.831 -0.602 250 HB ILE 36 HB ILE 36 4.933 0.647 -1.662 251 1HG1 ILE 36 1HG1 ILE 36 5.290 0.028 1.122 252 2HG1 ILE 36 2HG1 ILE 36 6.153 1.545 0.773 253 1HG2 ILE 36 1HG2 ILE 36 5.152 -1.597 -1.679 254 2HG2 ILE 36 2HG2 ILE 36 6.845 -1.469 -1.142 255 3HG2 ILE 36 3HG2 ILE 36 5.533 -1.533 0.059 256 1HD1 ILE 36 1HD1 ILE 36 3.236 0.946 0.696 257 2HD1 ILE 36 2HD1 ILE 36 4.079 2.472 1.055 258 3HD1 ILE 36 3HD1 ILE 36 3.851 1.957 -0.634 259 H TYR 37 H TYR 37 9.370 -0.096 -1.750 260 HA TYR 37 HA TYR 37 8.850 -0.737 -4.603 261 1HB TYR 37 1HB TYR 37 11.404 -0.537 -2.974 262 2HB TYR 37 2HB TYR 37 11.334 -1.022 -4.677 263 HD1 TYR 37 1HD TYR 37 10.857 1.779 -2.303 264 HD2 TYR 37 2HD TYR 37 10.984 0.592 -6.430 265 HE1 TYR 37 1HE TYR 37 10.959 4.161 -2.985 266 HE2 TYR 37 2HE TYR 37 11.087 2.974 -7.112 267 HH TYR 37 HH TYR 37 11.918 5.453 -5.236 268 H GLY 38 H GLY 38 8.801 -2.817 -5.329 269 1HA GLY 38 1HA GLY 38 8.981 -5.121 -5.293 270 2HA GLY 38 2HA GLY 38 9.929 -5.002 -3.793 271 H VAL 39 H VAL 39 6.560 -4.313 -4.910 272 HA VAL 39 HA VAL 39 5.507 -5.009 -2.278 273 HB VAL 39 HB VAL 39 4.088 -4.378 -4.897 274 1HG1 VAL 39 1HG1 VAL 39 2.368 -5.215 -3.627 275 2HG1 VAL 39 2HG1 VAL 39 3.236 -4.959 -2.094 276 3HG1 VAL 39 3HG1 VAL 39 2.427 -3.592 -2.899 277 1HG2 VAL 39 1HG2 VAL 39 4.902 -2.294 -4.554 278 2HG2 VAL 39 2HG2 VAL 39 3.847 -2.229 -3.122 279 3HG2 VAL 39 3HG2 VAL 39 5.546 -2.732 -2.954 280 H ASN 40 H ASN 40 5.162 -7.053 -1.655 281 HA ASN 40 HA ASN 40 4.798 -9.112 -3.761 282 1HB ASN 40 1HB ASN 40 5.754 -9.121 -0.900 283 2HB ASN 40 2HB ASN 40 5.140 -10.613 -1.644 284 1HD2 ASN 40 1HD2 ASN 40 7.056 -7.876 -3.000 285 2HD2 ASN 40 2HD2 ASN 40 8.402 -8.858 -3.534 286 H TRP 41 H TRP 41 3.364 -7.774 -0.766 287 HA TRP 41 HA TRP 41 0.717 -8.538 -1.667 288 1HB TRP 41 1HB TRP 41 1.319 -10.682 -0.814 289 2HB TRP 41 2HB TRP 41 2.058 -9.977 0.631 290 HD1 TRP 41 HD TRP 41 -0.049 -8.296 1.921 291 HE1 TRP 41 1HE TRP 41 -2.272 -9.195 2.778 292 HE3 TRP 41 3HE TRP 41 -0.350 -12.544 -0.918 293 HZ2 TRP 41 2HZ TRP 41 -3.983 -11.479 2.297 294 HZ3 TRP 41 3HZ TRP 41 -2.288 -14.054 -0.691 295 HH2 TRP 41 HH TRP 41 -4.109 -13.538 0.908 296 H VAL 42 H VAL 42 -0.931 -7.504 -0.453 297 HA VAL 42 HA VAL 42 0.053 -5.653 1.660 298 HB VAL 42 HB VAL 42 -1.577 -5.064 -0.819 299 1HG1 VAL 42 1HG1 VAL 42 -1.837 -2.757 0.468 300 2HG1 VAL 42 2HG1 VAL 42 -3.008 -4.071 0.730 301 3HG1 VAL 42 3HG1 VAL 42 -1.705 -3.791 1.910 302 1HG2 VAL 42 1HG2 VAL 42 0.634 -4.459 -1.209 303 2HG2 VAL 42 2HG2 VAL 42 0.016 -2.956 -0.484 304 3HG2 VAL 42 3HG2 VAL 42 0.949 -4.103 0.506 305 H GLU 43 H GLU 43 -1.448 -5.175 3.307 306 HA GLU 43 HA GLU 43 -3.728 -7.082 3.398 307 1HB GLU 43 1HB GLU 43 -2.214 -5.619 5.596 308 2HB GLU 43 2HB GLU 43 -3.608 -6.694 5.859 309 1HG GLU 43 1HG GLU 43 -1.809 -8.108 4.176 310 2HG GLU 43 2HG GLU 43 -0.821 -7.381 5.462 311 H SER 44 H SER 44 -5.756 -6.331 4.324 312 HA SER 44 HA SER 44 -6.175 -3.460 4.595 313 1HB SER 44 1HB SER 44 -7.600 -4.940 2.354 314 2HB SER 44 2HB SER 44 -7.702 -3.207 2.750 315 HG SER 44 HG SER 44 -5.795 -2.877 1.875 316 H GLY 45 H GLY 45 -6.795 -4.222 6.711 317 1HA GLY 45 1HA GLY 45 -8.627 -6.202 7.333 318 2HA GLY 45 2HA GLY 45 -8.454 -4.683 8.241 319 H ASN 46 H ASN 46 -10.828 -5.010 8.600 320 HA ASN 46 HA ASN 46 -12.666 -4.832 6.414 321 1HB ASN 46 1HB ASN 46 -13.028 -5.625 8.854 322 2HB ASN 46 2HB ASN 46 -13.210 -3.900 9.239 323 1HD2 ASN 46 1HD2 ASN 46 -15.184 -2.990 8.997 324 2HD2 ASN 46 2HD2 ASN 46 -16.514 -3.693 8.100 325 H ASN 47 H ASN 47 -10.961 -2.998 5.590 326 HA ASN 47 HA ASN 47 -12.502 -0.513 5.835 327 1HB ASN 47 1HB ASN 47 -10.191 0.687 6.145 328 2HB ASN 47 2HB ASN 47 -11.039 0.031 7.562 329 1HD2 ASN 47 1HD2 ASN 47 -8.514 -0.716 5.122 330 2HD2 ASN 47 2HD2 ASN 47 -7.581 -1.781 6.152 331 H VAL 48 H VAL 48 -12.434 0.692 3.973 332 HA VAL 48 HA VAL 48 -11.047 -0.569 1.701 333 HB VAL 48 HB VAL 48 -12.970 1.788 1.769 334 1HG1 VAL 48 1HG1 VAL 48 -11.308 0.915 -0.254 335 2HG1 VAL 48 2HG1 VAL 48 -12.796 -0.006 -0.579 336 3HG1 VAL 48 3HG1 VAL 48 -12.848 1.772 -0.503 337 1HG2 VAL 48 1HG2 VAL 48 -14.649 0.319 2.087 338 2HG2 VAL 48 2HG2 VAL 48 -14.070 -0.677 0.730 339 3HG2 VAL 48 3HG2 VAL 48 -13.440 -0.956 2.371 340 H VAL 49 H VAL 49 -9.102 0.112 1.045 341 HA VAL 49 HA VAL 49 -8.431 2.982 1.400 342 HB VAL 49 HB VAL 49 -6.643 0.623 2.114 343 1HG1 VAL 49 1HG1 VAL 49 -4.915 2.150 2.456 344 2HG1 VAL 49 2HG1 VAL 49 -5.718 2.865 1.038 345 3HG1 VAL 49 3HG1 VAL 49 -6.029 3.523 2.663 346 1HG2 VAL 49 1HG2 VAL 49 -8.324 1.010 3.832 347 2HG2 VAL 49 2HG2 VAL 49 -6.772 1.668 4.403 348 3HG2 VAL 49 3HG2 VAL 49 -8.028 2.764 3.781 349 H THR 50 H THR 50 -7.424 3.875 -0.345 350 HA THR 50 HA THR 50 -7.045 2.098 -2.672 351 HB THR 50 HB THR 50 -7.420 5.049 -2.221 352 HG1 THR 50 1HG THR 50 -8.467 3.063 -3.958 353 1HG2 THR 50 1HG2 THR 50 -6.183 3.749 -4.686 354 2HG2 THR 50 2HG2 THR 50 -6.789 5.421 -4.613 355 3HG2 THR 50 3HG2 THR 50 -5.403 4.932 -3.610 356 H LEU 51 H LEU 51 -5.093 1.643 -3.575 357 HA LEU 51 HA LEU 51 -2.716 2.805 -2.204 358 1HB LEU 51 1HB LEU 51 -3.293 0.112 -3.454 359 2HB LEU 51 2HB LEU 51 -1.622 0.685 -3.236 360 HG LEU 51 HG LEU 51 -3.732 0.145 -1.125 361 1HD1 LEU 51 1HD1 LEU 51 -1.403 -1.186 -2.130 362 2HD1 LEU 51 2HD1 LEU 51 -1.038 -0.634 -0.478 363 3HD1 LEU 51 3HD1 LEU 51 -2.451 -1.675 -0.776 364 1HD2 LEU 51 1HD2 LEU 51 -2.900 2.332 -0.549 365 2HD2 LEU 51 2HD2 LEU 51 -2.036 1.165 0.481 366 3HD2 LEU 51 3HD2 LEU 51 -1.228 1.865 -0.943 367 H GLN 52 H GLN 52 -1.412 4.093 -3.366 368 HA GLN 52 HA GLN 52 -1.747 4.052 -6.328 369 1HB GLN 52 1HB GLN 52 -1.267 6.248 -4.318 370 2HB GLN 52 2HB GLN 52 -0.702 6.442 -5.995 371 1HG GLN 52 1HG GLN 52 -3.223 5.486 -6.424 372 2HG GLN 52 2HG GLN 52 -3.470 6.376 -4.906 373 1HE2 GLN 52 1HE2 GLN 52 -1.877 6.736 -8.126 374 2HE2 GLN 52 2HE2 GLN 52 -2.277 8.429 -8.325 375 H PHE 53 H PHE 53 -0.122 2.889 -7.201 376 HA PHE 53 HA PHE 53 2.633 3.565 -6.323 377 1HB PHE 53 1HB PHE 53 3.252 1.204 -6.441 378 2HB PHE 53 2HB PHE 53 1.989 1.465 -5.227 379 HD1 PHE 53 1HD PHE 53 -0.327 0.713 -5.640 380 HD2 PHE 53 2HD PHE 53 2.844 -0.114 -8.417 381 HE1 PHE 53 1HE PHE 53 -1.731 -1.019 -6.727 382 HE2 PHE 53 2HE PHE 53 1.440 -1.845 -9.504 383 HZ PHE 53 HZ PHE 53 -0.847 -2.298 -8.659 384 H GLN 54 H GLN 54 4.255 3.176 -7.970 385 HA GLN 54 HA GLN 54 3.077 3.369 -10.689 386 1HB GLN 54 1HB GLN 54 4.771 5.069 -9.500 387 2HB GLN 54 2HB GLN 54 5.969 3.911 -10.128 388 1HG GLN 54 1HG GLN 54 5.251 4.225 -12.375 389 2HG GLN 54 2HG GLN 54 3.748 5.026 -11.867 390 1HE2 GLN 54 1HE2 GLN 54 6.983 5.468 -12.883 391 2HE2 GLN 54 2HE2 GLN 54 7.131 7.176 -12.527 392 H ARG 55 H ARG 55 3.018 1.502 -11.787 393 HA ARG 55 HA ARG 55 4.308 -0.870 -11.096 394 1HB ARG 55 1HB ARG 55 2.682 0.128 -13.226 395 2HB ARG 55 2HB ARG 55 4.063 -0.728 -13.954 396 1HG ARG 55 1HG ARG 55 2.424 -1.894 -11.674 397 2HG ARG 55 2HG ARG 55 2.025 -2.173 -13.386 398 1HD ARG 55 1HD ARG 55 3.859 -3.510 -13.737 399 2HD ARG 55 2HD ARG 55 4.868 -2.610 -12.585 400 HE ARG 55 HE ARG 55 3.048 -3.830 -10.953 401 1HH1 ARG 55 1HH1 ARG 55 4.296 -7.128 -10.897 402 2HH1 ARG 55 2HH1 ARG 55 3.308 -5.948 -10.066 403 1HH2 ARG 55 1HH2 ARG 55 5.346 -6.568 -12.889 404 2HH2 ARG 55 2HH2 ARG 55 5.149 -4.964 -13.561 405 H ASN 56 H ASN 56 5.304 1.483 -13.651 406 HA ASN 56 HA ASN 56 8.064 0.386 -13.378 407 1HB ASN 56 1HB ASN 56 6.646 1.637 -15.759 408 2HB ASN 56 2HB ASN 56 8.368 1.203 -15.723 409 1HD2 ASN 56 1HD2 ASN 56 6.253 0.152 -17.489 410 2HD2 ASN 56 2HD2 ASN 56 6.188 -1.574 -17.203 411 H LEU 57 H LEU 57 9.776 1.824 -13.169 412 HA LEU 57 HA LEU 57 9.036 4.467 -12.161 413 1HB LEU 57 1HB LEU 57 10.722 3.149 -10.982 414 2HB LEU 57 2HB LEU 57 11.708 3.040 -12.460 415 HG LEU 57 HG LEU 57 12.095 5.426 -12.465 416 1HD1 LEU 57 1HD1 LEU 57 10.405 6.733 -11.724 417 2HD1 LEU 57 2HD1 LEU 57 9.698 5.396 -10.785 418 3HD1 LEU 57 3HD1 LEU 57 10.989 6.396 -10.076 419 1HD2 LEU 57 1HD2 LEU 57 12.973 3.706 -10.447 420 2HD2 LEU 57 2HD2 LEU 57 13.663 5.300 -10.836 421 3HD2 LEU 57 3HD2 LEU 57 12.430 5.150 -9.560 422 H SER 58 H SER 58 11.019 3.090 -14.833 423 HA SER 58 HA SER 58 11.894 5.491 -15.967 424 1HB SER 58 1HB SER 58 12.432 3.023 -16.563 425 2HB SER 58 2HB SER 58 11.006 3.119 -17.623 426 HG SER 58 HG SER 58 11.963 4.765 -18.744 427 H ASP 59 H ASP 59 8.837 3.683 -16.530 428 HA ASP 59 HA ASP 59 7.840 6.018 -18.076 429 1HB ASP 59 1HB ASP 59 7.809 3.649 -19.034 430 2HB ASP 59 2HB ASP 59 6.577 3.273 -17.809 431 HA PRO 60 HA PRO 60 5.286 7.165 -14.678 432 1HB PRO 60 1HB PRO 60 3.460 8.720 -15.970 433 2HB PRO 60 2HB PRO 60 5.186 9.192 -15.847 434 1HG PRO 60 1HG PRO 60 3.831 7.762 -18.152 435 2HG PRO 60 2HG PRO 60 4.842 9.242 -18.233 436 1HD PRO 60 1HD PRO 60 5.895 6.773 -18.709 437 2HD PRO 60 2HD PRO 60 6.823 7.992 -17.784 438 H ARG 61 H ARG 61 4.890 4.515 -15.507 439 HA ARG 61 HA ARG 61 2.142 4.085 -16.306 440 1HB ARG 61 1HB ARG 61 4.545 2.494 -15.701 441 2HB ARG 61 2HB ARG 61 3.033 1.730 -15.155 442 1HG ARG 61 1HG ARG 61 3.196 2.957 -17.912 443 2HG ARG 61 2HG ARG 61 3.861 1.332 -17.621 444 1HD ARG 61 1HD ARG 61 1.107 1.978 -16.597 445 2HD ARG 61 2HD ARG 61 1.318 1.663 -18.332 446 HE ARG 61 HE ARG 61 2.645 -0.383 -16.875 447 1HH1 ARG 61 1HH1 ARG 61 -0.106 -2.590 -16.851 448 2HH1 ARG 61 2HH1 ARG 61 1.624 -2.442 -16.639 449 1HH2 ARG 61 1HH2 ARG 61 -1.376 -0.719 -17.368 450 2HH2 ARG 61 2HH2 ARG 61 -0.604 0.841 -17.547 451 H LEU 62 H LEU 62 1.074 5.467 -14.709 452 HA LEU 62 HA LEU 62 1.254 4.764 -11.899 453 1HB LEU 62 1HB LEU 62 0.046 6.829 -13.567 454 2HB LEU 62 2HB LEU 62 -1.097 6.237 -12.337 455 HG LEU 62 HG LEU 62 0.672 8.166 -11.780 456 1HD1 LEU 62 1HD1 LEU 62 -0.926 7.387 -10.158 457 2HD1 LEU 62 2HD1 LEU 62 -0.116 5.806 -10.029 458 3HD1 LEU 62 3HD1 LEU 62 0.677 7.267 -9.392 459 1HD2 LEU 62 1HD2 LEU 62 2.509 6.429 -12.487 460 2HD2 LEU 62 2HD2 LEU 62 2.768 7.414 -11.027 461 3HD2 LEU 62 3HD2 LEU 62 2.217 5.728 -10.877 462 H GLU 63 H GLU 63 -0.029 3.408 -10.733 463 HA GLU 63 HA GLU 63 -2.388 2.237 -12.110 464 1HB GLU 63 1HB GLU 63 -0.277 0.680 -10.567 465 2HB GLU 63 2HB GLU 63 -1.741 0.011 -11.327 466 1HG GLU 63 1HG GLU 63 0.581 1.383 -12.741 467 2HG GLU 63 2HG GLU 63 0.176 -0.346 -12.801 468 H THR 64 H THR 64 -4.158 1.974 -10.816 469 HA THR 64 HA THR 64 -3.770 2.643 -7.935 470 HB THR 64 HB THR 64 -6.281 3.321 -8.201 471 HG1 THR 64 1HG THR 64 -5.395 3.696 -10.862 472 1HG2 THR 64 1HG2 THR 64 -3.771 4.682 -8.563 473 2HG2 THR 64 2HG2 THR 64 -4.963 5.393 -9.676 474 3HG2 THR 64 3HG2 THR 64 -5.302 5.332 -7.930 475 H ILE 65 H ILE 65 -4.714 1.333 -6.407 476 HA ILE 65 HA ILE 65 -6.396 -0.909 -7.379 477 HB ILE 65 HB ILE 65 -3.939 -1.573 -7.184 478 1HG1 ILE 65 1HG1 ILE 65 -6.021 -2.892 -5.390 479 2HG1 ILE 65 2HG1 ILE 65 -5.728 -3.238 -7.111 480 1HG2 ILE 65 1HG2 ILE 65 -3.676 -0.107 -5.072 481 2HG2 ILE 65 2HG2 ILE 65 -4.488 -1.431 -4.201 482 3HG2 ILE 65 3HG2 ILE 65 -2.940 -1.727 -5.029 483 1HD1 ILE 65 1HD1 ILE 65 -3.255 -3.690 -6.295 484 2HD1 ILE 65 2HD1 ILE 65 -4.030 -3.911 -4.708 485 3HD1 ILE 65 3HD1 ILE 65 -4.502 -4.942 -6.081 486 H THR 66 H THR 66 -8.171 -1.154 -6.143 487 HA THR 66 HA THR 66 -8.207 0.275 -3.537 488 HB THR 66 HB THR 66 -10.428 -0.652 -5.398 489 HG1 THR 66 1HG THR 66 -9.638 1.199 -6.170 490 1HG2 THR 66 1HG2 THR 66 -11.148 1.183 -3.235 491 2HG2 THR 66 2HG2 THR 66 -11.908 -0.353 -3.715 492 3HG2 THR 66 3HG2 THR 66 -10.515 -0.357 -2.606 493 H LEU 67 H LEU 67 -8.115 -0.893 -1.720 494 HA LEU 67 HA LEU 67 -8.543 -3.814 -1.917 495 1HB LEU 67 1HB LEU 67 -7.414 -2.129 0.351 496 2HB LEU 67 2HB LEU 67 -7.383 -3.904 0.225 497 HG LEU 67 HG LEU 67 -6.275 -2.442 -2.116 498 1HD1 LEU 67 1HD1 LEU 67 -5.576 -1.310 0.225 499 2HD1 LEU 67 2HD1 LEU 67 -4.440 -2.680 0.243 500 3HD1 LEU 67 3HD1 LEU 67 -4.415 -1.520 -1.107 501 1HD2 LEU 67 1HD2 LEU 67 -5.329 -4.469 -2.406 502 2HD2 LEU 67 2HD2 LEU 67 -4.571 -4.395 -0.797 503 3HD2 LEU 67 3HD2 LEU 67 -6.224 -5.031 -0.974 504 H GLN 68 H GLN 68 -10.371 -4.737 -1.205 505 HA GLN 68 HA GLN 68 -12.374 -3.060 0.115 506 1HB GLN 68 1HB GLN 68 -12.388 -5.962 -0.803 507 2HB GLN 68 2HB GLN 68 -13.796 -5.088 -0.154 508 1HG GLN 68 1HG GLN 68 -12.277 -3.805 -2.396 509 2HG GLN 68 2HG GLN 68 -13.281 -5.217 -2.790 510 1HE2 GLN 68 1HE2 GLN 68 -13.248 -1.863 -1.719 511 2HE2 GLN 68 2HE2 GLN 68 -14.974 -1.591 -1.833 512 H LYS 69 H LYS 69 -13.707 -4.514 1.858 513 HA LYS 69 HA LYS 69 -12.204 -4.453 4.213 514 1HB LYS 69 1HB LYS 69 -14.557 -6.306 3.725 515 2HB LYS 69 2HB LYS 69 -14.080 -5.507 5.242 516 1HG LYS 69 1HG LYS 69 -14.386 -3.466 3.264 517 2HG LYS 69 2HG LYS 69 -15.814 -4.524 3.159 518 1HD LYS 69 1HD LYS 69 -16.012 -4.347 5.683 519 2HD LYS 69 2HD LYS 69 -14.740 -3.104 5.629 520 1HE LYS 69 1HE LYS 69 -16.227 -1.933 3.863 521 2HE LYS 69 2HE LYS 69 -17.518 -3.022 4.416 522 1HZ LYS 69 1HZ LYS 69 -17.189 -0.736 5.497 523 2HZ LYS 69 2HZ LYS 69 -17.566 -2.040 6.435 524 3HZ LYS 69 3HZ LYS 69 -16.012 -1.492 6.370 525 H TRP 70 H TRP 70 -10.892 -5.859 5.289 526 HA TRP 70 HA TRP 70 -9.412 -7.603 5.496 527 1HB TRP 70 1HB TRP 70 -11.722 -9.290 4.512 528 2HB TRP 70 2HB TRP 70 -10.417 -9.766 5.607 529 HD1 TRP 70 HD TRP 70 -13.903 -8.696 5.617 530 HE1 TRP 70 1HE TRP 70 -14.711 -8.043 7.943 531 HE3 TRP 70 3HE TRP 70 -9.375 -8.357 7.979 532 HZ2 TRP 70 2HZ TRP 70 -13.543 -7.442 10.521 533 HZ3 TRP 70 3HZ TRP 70 -9.263 -7.743 10.366 534 HH2 TRP 70 HH TRP 70 -11.332 -7.283 11.649 535 H GLY 71 H GLY 71 -9.477 -6.224 2.898 536 1HA GLY 71 1HA GLY 71 -9.058 -8.358 0.921 537 2HA GLY 71 2HA GLY 71 -8.980 -6.604 0.641 538 H SER 72 H SER 72 -7.055 -8.661 -0.207 539 HA SER 72 HA SER 72 -4.665 -7.497 1.110 540 1HB SER 72 1HB SER 72 -4.446 -10.353 0.358 541 2HB SER 72 2HB SER 72 -3.829 -9.495 1.791 542 HG SER 72 HG SER 72 -6.149 -9.413 2.410 543 H TRP 73 H TRP 73 -2.704 -7.716 -0.227 544 HA TRP 73 HA TRP 73 -3.358 -8.099 -3.109 545 1HB TRP 73 1HB TRP 73 -3.188 -5.685 -2.343 546 2HB TRP 73 2HB TRP 73 -1.487 -6.004 -1.976 547 HD1 TRP 73 HD TRP 73 -3.072 -7.485 -5.100 548 HE1 TRP 73 1HE TRP 73 -2.062 -6.424 -7.184 549 HE3 TRP 73 3HE TRP 73 -0.320 -3.789 -2.871 550 HZ2 TRP 73 2HZ TRP 73 -0.275 -4.237 -7.818 551 HZ3 TRP 73 3HZ TRP 73 1.021 -2.240 -4.245 552 HH2 TRP 73 HH TRP 73 1.055 -2.449 -6.713 553 H ASN 74 H ASN 74 -1.926 -9.316 -4.251 554 HA ASN 74 HA ASN 74 0.735 -9.837 -3.070 555 1HB ASN 74 1HB ASN 74 0.390 -12.294 -3.526 556 2HB ASN 74 2HB ASN 74 -0.576 -11.647 -2.182 557 1HD2 ASN 74 1HD2 ASN 74 -1.594 -13.900 -2.994 558 2HD2 ASN 74 2HD2 ASN 74 -2.958 -13.702 -4.072 559 HA PRO 75 HA PRO 75 0.716 -9.118 -7.650 560 1HB PRO 75 1HB PRO 75 2.630 -7.179 -7.686 561 2HB PRO 75 2HB PRO 75 0.928 -6.820 -7.246 562 1HG PRO 75 1HG PRO 75 3.233 -7.395 -5.361 563 2HG PRO 75 2HG PRO 75 2.110 -5.997 -5.312 564 1HD PRO 75 1HD PRO 75 1.691 -8.210 -3.777 565 2HD PRO 75 2HD PRO 75 0.316 -7.379 -4.566 566 H GLY 76 H GLY 76 3.926 -8.234 -6.470 567 1HA GLY 76 1HA GLY 76 5.263 -10.601 -6.181 568 2HA GLY 76 2HA GLY 76 5.108 -10.445 -7.946 569 H HIS 77 H HIS 77 5.941 -8.388 -5.093 570 HA HIS 77 HA HIS 77 7.670 -6.925 -4.760 571 1HB HIS 77 1HB HIS 77 9.093 -8.807 -5.443 572 2HB HIS 77 2HB HIS 77 8.876 -8.367 -7.147 573 HD1 HIS 77 1HD HIS 77 9.485 -5.327 -7.144 574 HD2 HIS 77 2HD HIS 77 11.548 -8.205 -4.850 575 HE1 HIS 77 1HE HIS 77 11.782 -4.316 -6.591 576 HE2 HIS 77 2HE HIS 77 13.026 -6.074 -5.198 577 H ILE 78 H ILE 78 6.498 -5.056 -5.210 578 HA ILE 78 HA ILE 78 6.330 -4.151 -8.008 579 HB ILE 78 HB ILE 78 5.315 -2.913 -5.418 580 1HG1 ILE 78 1HG1 ILE 78 4.454 -5.245 -6.570 581 2HG1 ILE 78 2HG1 ILE 78 3.401 -4.136 -5.659 582 1HG2 ILE 78 1HG2 ILE 78 5.511 -1.186 -7.057 583 2HG2 ILE 78 2HG2 ILE 78 4.958 -2.261 -8.364 584 3HG2 ILE 78 3HG2 ILE 78 3.810 -1.706 -7.122 585 1HD1 ILE 78 1HD1 ILE 78 3.892 -3.847 -8.646 586 2HD1 ILE 78 2HD1 ILE 78 2.564 -4.830 -7.982 587 3HD1 ILE 78 3HD1 ILE 78 2.622 -3.080 -7.663 588 H HIS 79 H HIS 79 7.315 -2.268 -8.788 589 HA HIS 79 HA HIS 79 9.909 -1.716 -8.120 590 1HB HIS 79 1HB HIS 79 9.119 -0.748 -10.091 591 2HB HIS 79 2HB HIS 79 7.702 -0.038 -9.295 592 HD1 HIS 79 1HD HIS 79 11.467 0.441 -8.435 593 HD2 HIS 79 2HD HIS 79 7.975 2.534 -9.542 594 HE1 HIS 79 1HE HIS 79 12.060 2.941 -8.375 595 HE2 HIS 79 2HE HIS 79 9.931 4.202 -9.049 596 H GLU 80 H GLU 80 7.427 0.745 -7.291 597 HA GLU 80 HA GLU 80 8.180 0.740 -4.485 598 1HB GLU 80 1HB GLU 80 10.085 1.948 -5.601 599 2HB GLU 80 2HB GLU 80 8.913 3.156 -6.179 600 1HG GLU 80 1HG GLU 80 8.326 2.883 -3.456 601 2HG GLU 80 2HG GLU 80 10.100 2.824 -3.520 602 H ILE 81 H ILE 81 6.747 1.977 -3.215 603 HA ILE 81 HA ILE 81 4.198 2.517 -4.527 604 HB ILE 81 HB ILE 81 5.144 2.739 -1.644 605 1HG1 ILE 81 1HG1 ILE 81 5.025 0.445 -2.716 606 2HG1 ILE 81 2HG1 ILE 81 3.931 0.667 -1.329 607 1HG2 ILE 81 1HG2 ILE 81 2.786 3.775 -2.983 608 2HG2 ILE 81 2HG2 ILE 81 2.323 2.505 -1.825 609 3HG2 ILE 81 3HG2 ILE 81 3.257 3.915 -1.272 610 1HD1 ILE 81 1HD1 ILE 81 2.208 0.084 -2.661 611 2HD1 ILE 81 2HD1 ILE 81 2.501 1.558 -3.615 612 3HD1 ILE 81 3HD1 ILE 81 3.280 0.026 -4.081 613 H LEU 82 H LEU 82 3.275 4.494 -4.914 614 HA LEU 82 HA LEU 82 5.090 6.802 -4.778 615 1HB LEU 82 1HB LEU 82 2.284 6.546 -5.928 616 2HB LEU 82 2HB LEU 82 3.426 7.885 -6.194 617 HG LEU 82 HG LEU 82 3.522 5.053 -7.233 618 1HD1 LEU 82 1HD1 LEU 82 3.427 6.091 -9.252 619 2HD1 LEU 82 2HD1 LEU 82 2.918 7.525 -8.328 620 3HD1 LEU 82 3HD1 LEU 82 4.628 7.316 -8.776 621 1HD2 LEU 82 1HD2 LEU 82 5.930 6.905 -6.974 622 2HD2 LEU 82 2HD2 LEU 82 5.649 5.469 -5.960 623 3HD2 LEU 82 3HD2 LEU 82 5.904 5.285 -7.711 624 H SER 83 H SER 83 1.599 6.282 -4.003 625 HA SER 83 HA SER 83 2.020 7.674 -1.435 626 1HB SER 83 1HB SER 83 1.397 9.316 -3.353 627 2HB SER 83 2HB SER 83 -0.212 8.559 -3.273 628 HG SER 83 HG SER 83 1.042 10.256 -1.509 629 H ILE 84 H ILE 84 -0.135 7.652 -0.167 630 HA ILE 84 HA ILE 84 -1.730 5.245 -0.864 631 HB ILE 84 HB ILE 84 -0.416 5.862 1.810 632 1HG1 ILE 84 1HG1 ILE 84 -0.113 3.646 -0.255 633 2HG1 ILE 84 2HG1 ILE 84 1.128 4.802 0.286 634 1HG2 ILE 84 1HG2 ILE 84 -2.153 4.756 2.733 635 2HG2 ILE 84 2HG2 ILE 84 -2.854 4.426 1.130 636 3HG2 ILE 84 3HG2 ILE 84 -1.646 3.315 1.818 637 1HD1 ILE 84 1HD1 ILE 84 0.583 3.793 2.675 638 2HD1 ILE 84 2HD1 ILE 84 -0.022 2.415 1.724 639 3HD1 ILE 84 3HD1 ILE 84 1.674 2.930 1.566 640 H ARG 85 H ARG 85 -3.879 5.563 -0.644 641 HA ARG 85 HA ARG 85 -4.743 7.940 0.936 642 1HB ARG 85 1HB ARG 85 -4.949 8.417 -1.447 643 2HB ARG 85 2HB ARG 85 -5.815 6.884 -1.709 644 1HG ARG 85 1HG ARG 85 -7.065 8.404 0.432 645 2HG ARG 85 2HG ARG 85 -6.944 9.392 -1.043 646 1HD ARG 85 1HD ARG 85 -7.810 7.240 -2.256 647 2HD ARG 85 2HD ARG 85 -8.338 6.740 -0.635 648 HE ARG 85 HE ARG 85 -10.039 8.306 -0.727 649 1HH1 ARG 85 1HH1 ARG 85 -10.647 10.799 -3.148 650 2HH1 ARG 85 2HH1 ARG 85 -11.283 9.965 -1.748 651 1HH2 ARG 85 1HH2 ARG 85 -8.553 10.240 -3.979 652 2HH2 ARG 85 2HH2 ARG 85 -7.611 8.985 -3.206 653 H ILE 86 H ILE 86 -6.257 7.557 2.460 654 HA ILE 86 HA ILE 86 -7.513 4.855 2.453 655 HB ILE 86 HB ILE 86 -6.967 6.720 4.795 656 1HG1 ILE 86 1HG1 ILE 86 -5.565 4.096 4.311 657 2HG1 ILE 86 2HG1 ILE 86 -4.997 5.552 3.459 658 1HG2 ILE 86 1HG2 ILE 86 -8.755 4.571 4.504 659 2HG2 ILE 86 2HG2 ILE 86 -7.338 3.868 5.320 660 3HG2 ILE 86 3HG2 ILE 86 -8.174 5.267 6.036 661 1HD1 ILE 86 1HD1 ILE 86 -3.794 5.267 5.597 662 2HD1 ILE 86 2HD1 ILE 86 -4.799 6.735 5.632 663 3HD1 ILE 86 3HD1 ILE 86 -5.343 5.265 6.475 664 H TYR 87 H TYR 87 -9.714 4.694 2.544 665 HA TYR 87 HA TYR 87 -11.218 7.166 2.102 666 1HB TYR 87 1HB TYR 87 -11.909 4.217 2.102 667 2HB TYR 87 2HB TYR 87 -13.125 5.488 1.890 668 HD1 TYR 87 1HD TYR 87 -13.772 5.818 -0.298 669 HD2 TYR 87 2HD TYR 87 -9.691 4.760 0.524 670 HE1 TYR 87 1HE TYR 87 -13.262 5.902 -2.724 671 HE2 TYR 87 2HE TYR 87 -9.181 4.845 -1.902 672 HH TYR 87 HH TYR 87 -10.391 4.675 -4.104 Start of MODEL 15 1 H MET 1 H MET 1 -2.561 12.975 11.228 2 HA MET 1 HA MET 1 -4.006 12.219 9.495 3 1HB MET 1 1HB MET 1 -1.741 12.897 7.581 4 2HB MET 1 2HB MET 1 -3.407 12.434 7.161 5 1HG MET 1 1HG MET 1 -2.834 14.825 8.918 6 2HG MET 1 2HG MET 1 -2.769 14.957 7.153 7 1HE MET 1 1HE MET 1 -4.552 16.980 7.540 8 2HE MET 1 2HE MET 1 -6.111 16.746 8.367 9 3HE MET 1 3HE MET 1 -4.589 16.603 9.279 10 H ILE 2 H ILE 2 -2.057 10.985 7.232 11 HA ILE 2 HA ILE 2 -2.065 8.355 8.328 12 HB ILE 2 HB ILE 2 -2.132 8.677 5.942 13 1HG1 ILE 2 1HG1 ILE 2 0.681 7.689 6.516 14 2HG1 ILE 2 2HG1 ILE 2 -0.760 6.747 6.970 15 1HG2 ILE 2 1HG2 ILE 2 -1.087 10.751 5.552 16 2HG2 ILE 2 2HG2 ILE 2 0.368 10.298 6.471 17 3HG2 ILE 2 3HG2 ILE 2 0.074 9.589 4.865 18 1HD1 ILE 2 1HD1 ILE 2 -0.652 7.829 4.178 19 2HD1 ILE 2 2HD1 ILE 2 0.435 6.476 4.570 20 3HD1 ILE 2 3HD1 ILE 2 -1.323 6.294 4.779 21 H ASN 3 H ASN 3 -0.555 7.204 9.446 22 HA ASN 3 HA ASN 3 2.142 8.386 9.765 23 1HB ASN 3 1HB ASN 3 2.008 7.952 12.217 24 2HB ASN 3 2HB ASN 3 0.885 9.216 11.672 25 1HD2 ASN 3 1HD2 ASN 3 0.961 7.075 13.957 26 2HD2 ASN 3 2HD2 ASN 3 -0.643 6.377 13.895 27 H ARG 4 H ARG 4 3.767 6.875 10.000 28 HA ARG 4 HA ARG 4 3.074 4.154 9.252 29 1HB ARG 4 1HB ARG 4 5.077 5.302 8.370 30 2HB ARG 4 2HB ARG 4 5.733 5.422 10.020 31 1HG ARG 4 1HG ARG 4 5.061 2.726 9.790 32 2HG ARG 4 2HG ARG 4 5.697 3.130 8.177 33 1HD ARG 4 1HD ARG 4 7.655 2.585 9.320 34 2HD ARG 4 2HD ARG 4 7.593 4.347 9.543 35 HE ARG 4 HE ARG 4 7.411 3.988 11.807 36 1HH1 ARG 4 1HH1 ARG 4 6.409 1.118 13.596 37 2HH1 ARG 4 2HH1 ARG 4 7.027 2.750 13.720 38 1HH2 ARG 4 1HH2 ARG 4 5.974 0.197 11.510 39 2HH2 ARG 4 2HH2 ARG 4 6.265 1.135 10.062 40 H THR 5 H THR 5 2.212 2.828 10.753 41 HA THR 5 HA THR 5 3.376 2.935 13.494 42 HB THR 5 HB THR 5 1.008 3.469 13.479 43 HG1 THR 5 1HG THR 5 1.694 2.100 15.134 44 1HG2 THR 5 1HG2 THR 5 0.807 0.931 11.816 45 2HG2 THR 5 2HG2 THR 5 -0.599 1.676 12.613 46 3HG2 THR 5 3HG2 THR 5 0.298 2.576 11.366 47 H ASP 6 H ASP 6 3.855 0.951 14.553 48 HA ASP 6 HA ASP 6 4.642 -1.164 12.664 49 1HB ASP 6 1HB ASP 6 5.753 -0.050 14.982 50 2HB ASP 6 2HB ASP 6 5.177 -1.652 15.492 51 H CYS 7 H CYS 7 1.779 -0.665 13.265 52 HA CYS 7 HA CYS 7 -0.033 -2.092 13.410 53 1HB CYS 7 1HB CYS 7 1.660 -4.251 14.636 54 2HB CYS 7 2HB CYS 7 0.230 -4.395 13.601 55 H ASN 8 H ASN 8 -1.428 -1.505 14.958 56 HA ASN 8 HA ASN 8 -1.017 -2.343 17.705 57 1HB ASN 8 1HB ASN 8 -0.899 -0.167 18.711 58 2HB ASN 8 2HB ASN 8 0.393 -0.258 17.494 59 1HD2 ASN 8 1HD2 ASN 8 -0.639 0.318 15.134 60 2HD2 ASN 8 2HD2 ASN 8 -1.459 1.865 15.116 61 H GLU 9 H GLU 9 -2.775 -0.209 15.415 62 HA GLU 9 HA GLU 9 -5.180 -0.024 16.887 63 1HB GLU 9 1HB GLU 9 -4.974 -0.139 13.862 64 2HB GLU 9 2HB GLU 9 -6.144 0.762 14.855 65 1HG GLU 9 1HG GLU 9 -3.490 1.523 15.656 66 2HG GLU 9 2HG GLU 9 -3.594 1.635 13.886 67 H ASN 10 H ASN 10 -6.965 -1.016 14.696 68 HA ASN 10 HA ASN 10 -6.661 -3.946 15.008 69 1HB ASN 10 1HB ASN 10 -8.079 -3.266 16.865 70 2HB ASN 10 2HB ASN 10 -9.109 -2.315 15.774 71 1HD2 ASN 10 1HD2 ASN 10 -10.691 -3.870 16.989 72 2HD2 ASN 10 2HD2 ASN 10 -11.048 -5.370 16.159 73 H SER 11 H SER 11 -6.710 -4.763 13.007 74 HA SER 11 HA SER 11 -7.247 -5.056 10.802 75 1HB SER 11 1HB SER 11 -9.538 -4.993 10.244 76 2HB SER 11 2HB SER 11 -9.533 -5.273 12.002 77 HG SER 11 HG SER 11 -9.866 -2.789 10.665 78 H TYR 12 H TYR 12 -5.810 -3.763 9.713 79 HA TYR 12 HA TYR 12 -6.902 -1.214 8.716 80 1HB TYR 12 1HB TYR 12 -4.331 -0.464 9.185 81 2HB TYR 12 2HB TYR 12 -5.694 -0.082 10.251 82 HD1 TYR 12 1HD TYR 12 -6.208 -1.767 12.155 83 HD2 TYR 12 2HD TYR 12 -2.491 -1.649 10.006 84 HE1 TYR 12 1HE TYR 12 -5.097 -2.979 14.011 85 HE2 TYR 12 2HE TYR 12 -1.380 -2.862 11.862 86 HH TYR 12 HH TYR 12 -2.983 -3.526 14.925 87 H LEU 13 H LEU 13 -4.715 -0.302 7.331 88 HA LEU 13 HA LEU 13 -4.421 -2.432 5.312 89 1HB LEU 13 1HB LEU 13 -5.038 -0.482 4.232 90 2HB LEU 13 2HB LEU 13 -4.174 0.560 5.387 91 HG LEU 13 HG LEU 13 -2.047 -0.723 4.392 92 1HD1 LEU 13 1HD1 LEU 13 -4.018 -0.706 2.067 93 2HD1 LEU 13 2HD1 LEU 13 -2.316 -1.226 2.022 94 3HD1 LEU 13 3HD1 LEU 13 -3.510 -2.170 2.944 95 1HD2 LEU 13 1HD2 LEU 13 -3.538 1.724 3.657 96 2HD2 LEU 13 2HD2 LEU 13 -1.812 1.511 4.032 97 3HD2 LEU 13 3HD2 LEU 13 -2.418 1.152 2.398 98 H GLU 14 H GLU 14 -2.509 -3.406 4.793 99 HA GLU 14 HA GLU 14 -0.029 -2.346 6.013 100 1HB GLU 14 1HB GLU 14 -0.748 -5.282 6.204 101 2HB GLU 14 2HB GLU 14 0.538 -4.394 7.056 102 1HG GLU 14 1HG GLU 14 -1.071 -3.192 8.390 103 2HG GLU 14 2HG GLU 14 -2.424 -3.803 7.413 104 H ILE 15 H ILE 15 1.836 -2.822 4.842 105 HA ILE 15 HA ILE 15 1.472 -4.451 2.384 106 HB ILE 15 HB ILE 15 2.720 -1.679 2.546 107 1HG1 ILE 15 1HG1 ILE 15 0.398 -2.490 0.797 108 2HG1 ILE 15 2HG1 ILE 15 0.107 -2.085 2.506 109 1HG2 ILE 15 1HG2 ILE 15 2.279 -2.646 -0.122 110 2HG2 ILE 15 2HG2 ILE 15 3.822 -2.232 0.661 111 3HG2 ILE 15 3HG2 ILE 15 3.184 -3.889 0.775 112 1HD1 ILE 15 1HD1 ILE 15 1.534 0.040 2.018 113 2HD1 ILE 15 2HD1 ILE 15 1.232 -0.334 0.304 114 3HD1 ILE 15 3HD1 ILE 15 -0.134 -0.011 1.399 115 H HIS 16 H HIS 16 3.050 -5.926 2.174 116 HA HIS 16 HA HIS 16 5.613 -5.406 3.608 117 1HB HIS 16 1HB HIS 16 5.732 -7.814 4.036 118 2HB HIS 16 2HB HIS 16 4.263 -7.116 4.744 119 HD1 HIS 16 1HD HIS 16 5.373 -9.742 2.285 120 HD2 HIS 16 2HD HIS 16 1.894 -7.614 3.369 121 HE1 HIS 16 1HE HIS 16 3.387 -11.006 1.253 122 HE2 HIS 16 2HE HIS 16 1.281 -9.704 1.918 123 H ASN 17 H ASN 17 6.973 -4.814 1.985 124 HA ASN 17 HA ASN 17 6.875 -6.363 -0.543 125 1HB ASN 17 1HB ASN 17 8.407 -4.522 -1.337 126 2HB ASN 17 2HB ASN 17 6.784 -3.982 -0.857 127 1HD2 ASN 17 1HD2 ASN 17 8.632 -2.036 -0.947 128 2HD2 ASN 17 2HD2 ASN 17 9.161 -1.573 0.656 129 H ASN 18 H ASN 18 9.406 -6.188 -1.474 130 HA ASN 18 HA ASN 18 11.453 -7.205 -1.364 131 1HB ASN 18 1HB ASN 18 11.074 -6.118 1.411 132 2HB ASN 18 2HB ASN 18 12.447 -7.201 1.094 133 1HD2 ASN 18 1HD2 ASN 18 12.087 -4.153 1.614 134 2HD2 ASN 18 2HD2 ASN 18 13.052 -3.412 0.356 135 H GLU 19 H GLU 19 9.060 -8.818 -1.207 136 HA GLU 19 HA GLU 19 8.507 -11.014 -0.872 137 1HB GLU 19 1HB GLU 19 11.438 -11.215 -0.077 138 2HB GLU 19 2HB GLU 19 10.357 -12.604 -0.340 139 1HG GLU 19 1HG GLU 19 9.877 -11.561 -2.654 140 2HG GLU 19 2HG GLU 19 11.298 -10.537 -2.351 141 H GLY 20 H GLY 20 8.272 -8.946 1.261 142 1HA GLY 20 1HA GLY 20 7.277 -9.061 3.361 143 2HA GLY 20 2HA GLY 20 7.659 -10.796 3.440 144 H ARG 21 H ARG 21 9.844 -8.015 2.821 145 HA ARG 21 HA ARG 21 11.537 -8.968 5.053 146 1HB ARG 21 1HB ARG 21 12.406 -8.541 2.675 147 2HB ARG 21 2HB ARG 21 12.177 -6.809 3.021 148 1HG ARG 21 1HG ARG 21 13.562 -8.264 5.182 149 2HG ARG 21 2HG ARG 21 14.447 -8.281 3.638 150 1HD ARG 21 1HD ARG 21 14.551 -5.925 3.533 151 2HD ARG 21 2HD ARG 21 13.238 -5.723 4.713 152 HE ARG 21 HE ARG 21 14.787 -5.865 6.420 153 1HH1 ARG 21 1HH1 ARG 21 18.192 -6.776 6.295 154 2HH1 ARG 21 2HH1 ARG 21 16.909 -6.131 7.295 155 1HH2 ARG 21 1HH2 ARG 21 17.762 -7.364 4.092 156 2HH2 ARG 21 2HH2 ARG 21 16.155 -7.162 3.430 157 H ASP 22 H ASP 22 9.870 -6.043 3.812 158 HA ASP 22 HA ASP 22 10.006 -4.949 6.577 159 1HB ASP 22 1HB ASP 22 10.615 -3.569 3.946 160 2HB ASP 22 2HB ASP 22 10.187 -2.672 5.419 161 H THR 23 H THR 23 7.983 -4.787 7.334 162 HA THR 23 HA THR 23 5.789 -4.407 5.368 163 HB THR 23 HB THR 23 5.701 -5.282 8.282 164 HG1 THR 23 1HG THR 23 6.652 -6.876 7.098 165 1HG2 THR 23 1HG2 THR 23 3.638 -5.120 6.051 166 2HG2 THR 23 2HG2 THR 23 3.392 -6.062 7.541 167 3HG2 THR 23 3HG2 THR 23 3.601 -4.296 7.629 168 H LEU 24 H LEU 24 4.077 -2.888 5.872 169 HA LEU 24 HA LEU 24 4.867 -0.763 7.793 170 1HB LEU 24 1HB LEU 24 3.709 -0.096 5.084 171 2HB LEU 24 2HB LEU 24 4.612 0.947 6.208 172 HG LEU 24 HG LEU 24 6.310 -1.256 5.601 173 1HD1 LEU 24 1HD1 LEU 24 5.450 0.077 3.029 174 2HD1 LEU 24 2HD1 LEU 24 6.341 -1.446 3.264 175 3HD1 LEU 24 3HD1 LEU 24 4.596 -1.374 3.607 176 1HD2 LEU 24 1HD2 LEU 24 6.560 1.416 4.235 177 2HD2 LEU 24 2HD2 LEU 24 6.621 1.353 6.013 178 3HD2 LEU 24 3HD2 LEU 24 7.806 0.439 5.049 179 H CYS 25 H CYS 25 3.264 -0.577 9.232 180 HA CYS 25 HA CYS 25 0.533 -1.372 8.422 181 1HB CYS 25 1HB CYS 25 1.974 -0.958 11.038 182 2HB CYS 25 2HB CYS 25 0.204 -0.981 10.977 183 H PHE 26 H PHE 26 -0.708 0.203 7.591 184 HA PHE 26 HA PHE 26 -0.330 2.961 8.648 185 1HB PHE 26 1HB PHE 26 -1.438 1.900 6.032 186 2HB PHE 26 2HB PHE 26 -1.548 3.597 6.527 187 HD1 PHE 26 1HD PHE 26 0.395 1.188 4.793 188 HD2 PHE 26 2HD PHE 26 0.727 4.745 7.178 189 HE1 PHE 26 1HE PHE 26 2.654 1.604 3.858 190 HE2 PHE 26 2HE PHE 26 2.986 5.161 6.243 191 HZ PHE 26 HZ PHE 26 3.949 3.591 4.582 192 H ALA 27 H ALA 27 -2.126 4.157 9.332 193 HA ALA 27 HA ALA 27 -4.734 2.762 9.386 194 1HB ALA 27 1HB ALA 27 -4.633 2.316 11.582 195 2HB ALA 27 2HB ALA 27 -2.956 2.913 11.616 196 3HB ALA 27 3HB ALA 27 -4.306 4.031 11.929 197 H ASN 28 H ASN 28 -6.429 4.341 10.381 198 HA ASN 28 HA ASN 28 -7.431 6.414 10.414 199 1HB ASN 28 1HB ASN 28 -4.738 7.581 9.636 200 2HB ASN 28 2HB ASN 28 -6.113 8.425 10.380 201 1HD2 ASN 28 1HD2 ASN 28 -3.604 8.578 11.561 202 2HD2 ASN 28 2HD2 ASN 28 -3.599 7.666 13.055 203 H ALA 29 H ALA 29 -8.618 7.507 8.877 204 HA ALA 29 HA ALA 29 -8.480 6.560 6.196 205 1HB ALA 29 1HB ALA 29 -10.526 7.410 7.382 206 2HB ALA 29 2HB ALA 29 -9.864 9.057 7.248 207 3HB ALA 29 3HB ALA 29 -10.272 8.140 5.778 208 H GLY 30 H GLY 30 -6.477 8.717 7.821 209 1HA GLY 30 1HA GLY 30 -6.053 10.883 6.162 210 2HA GLY 30 2HA GLY 30 -4.756 10.030 7.029 211 H THR 31 H THR 31 -4.325 11.265 4.525 212 HA THR 31 HA THR 31 -3.625 8.874 2.933 213 HB THR 31 HB THR 31 -5.157 11.290 1.900 214 HG1 THR 31 1HG THR 31 -6.688 9.926 2.356 215 1HG2 THR 31 1HG2 THR 31 -4.705 9.167 -0.024 216 2HG2 THR 31 2HG2 THR 31 -4.291 10.894 -0.144 217 3HG2 THR 31 3HG2 THR 31 -3.148 9.755 0.607 218 H MET 32 H MET 32 -1.498 8.963 2.555 219 HA MET 32 HA MET 32 -0.291 11.593 1.927 220 1HB MET 32 1HB MET 32 1.517 11.257 3.494 221 2HB MET 32 2HB MET 32 -0.016 11.109 4.387 222 1HG MET 32 1HG MET 32 0.107 8.637 4.117 223 2HG MET 32 2HG MET 32 1.676 8.822 3.315 224 1HE MET 32 1HE MET 32 3.275 7.268 5.910 225 2HE MET 32 2HE MET 32 1.645 6.953 6.551 226 3HE MET 32 3HE MET 32 1.927 6.947 4.793 227 HA PRO 33 HA PRO 33 1.853 9.284 -1.126 228 1HB PRO 33 1HB PRO 33 4.154 10.712 -1.427 229 2HB PRO 33 2HB PRO 33 2.550 11.405 -1.835 230 1HG PRO 33 1HG PRO 33 4.089 11.733 0.757 231 2HG PRO 33 2HG PRO 33 3.392 13.031 -0.266 232 1HD PRO 33 1HD PRO 33 2.048 12.046 1.891 233 2HD PRO 33 2HD PRO 33 1.174 12.440 0.380 234 H VAL 34 H VAL 34 2.939 7.387 -1.030 235 HA VAL 34 HA VAL 34 5.103 7.124 0.996 236 HB VAL 34 HB VAL 34 4.288 4.942 1.614 237 1HG1 VAL 34 1HG1 VAL 34 2.794 5.872 3.024 238 2HG1 VAL 34 2HG1 VAL 34 2.847 7.346 2.029 239 3HG1 VAL 34 3HG1 VAL 34 1.623 6.095 1.703 240 1HG2 VAL 34 1HG2 VAL 34 3.062 3.695 0.192 241 2HG2 VAL 34 2HG2 VAL 34 1.748 4.894 0.230 242 3HG2 VAL 34 3HG2 VAL 34 3.065 5.055 -0.956 243 H ALA 35 H ALA 35 6.612 5.331 0.496 244 HA ALA 35 HA ALA 35 6.677 4.720 -2.419 245 1HB ALA 35 1HB ALA 35 9.272 5.014 -1.010 246 2HB ALA 35 2HB ALA 35 8.788 5.541 -2.640 247 3HB ALA 35 3HB ALA 35 8.347 6.521 -1.220 248 H ILE 36 H ILE 36 6.312 2.581 -2.559 249 HA ILE 36 HA ILE 36 7.840 0.821 -0.705 250 HB ILE 36 HB ILE 36 4.939 0.687 -1.568 251 1HG1 ILE 36 1HG1 ILE 36 5.668 -0.059 1.163 252 2HG1 ILE 36 2HG1 ILE 36 6.277 1.561 0.746 253 1HG2 ILE 36 1HG2 ILE 36 6.864 -1.497 -1.164 254 2HG2 ILE 36 2HG2 ILE 36 5.475 -1.595 -0.055 255 3HG2 ILE 36 3HG2 ILE 36 5.207 -1.549 -1.814 256 1HD1 ILE 36 1HD1 ILE 36 3.468 0.579 1.000 257 2HD1 ILE 36 2HD1 ILE 36 4.152 2.185 1.351 258 3HD1 ILE 36 3HD1 ILE 36 3.789 1.719 -0.329 259 H TYR 37 H TYR 37 9.373 -0.126 -1.921 260 HA TYR 37 HA TYR 37 8.699 -0.811 -4.732 261 1HB TYR 37 1HB TYR 37 11.401 -0.787 -3.356 262 2HB TYR 37 2HB TYR 37 11.080 -0.907 -5.094 263 HD1 TYR 37 1HD TYR 37 10.783 1.363 -2.146 264 HD2 TYR 37 2HD TYR 37 10.850 1.027 -6.428 265 HE1 TYR 37 1HE TYR 37 10.906 3.833 -2.338 266 HE2 TYR 37 2HE TYR 37 10.973 3.497 -6.620 267 HH TYR 37 HH TYR 37 10.167 5.612 -4.459 268 H GLY 38 H GLY 38 8.725 -2.909 -5.455 269 1HA GLY 38 1HA GLY 38 8.971 -5.208 -5.383 270 2HA GLY 38 2HA GLY 38 9.884 -5.045 -3.865 271 H VAL 39 H VAL 39 6.527 -4.394 -5.041 272 HA VAL 39 HA VAL 39 5.437 -5.100 -2.428 273 HB VAL 39 HB VAL 39 4.042 -4.500 -5.067 274 1HG1 VAL 39 1HG1 VAL 39 2.888 -3.982 -2.342 275 2HG1 VAL 39 2HG1 VAL 39 2.066 -4.403 -3.864 276 3HG1 VAL 39 3HG1 VAL 39 2.914 -5.661 -2.932 277 1HG2 VAL 39 1HG2 VAL 39 4.625 -2.347 -4.752 278 2HG2 VAL 39 2HG2 VAL 39 3.895 -2.382 -3.128 279 3HG2 VAL 39 3HG2 VAL 39 5.606 -2.823 -3.345 280 H ASN 40 H ASN 40 5.166 -7.159 -1.814 281 HA ASN 40 HA ASN 40 4.793 -9.210 -3.928 282 1HB ASN 40 1HB ASN 40 5.818 -9.220 -1.092 283 2HB ASN 40 2HB ASN 40 5.202 -10.718 -1.823 284 1HD2 ASN 40 1HD2 ASN 40 7.050 -7.956 -3.223 285 2HD2 ASN 40 2HD2 ASN 40 8.394 -8.921 -3.794 286 H TRP 41 H TRP 41 3.384 -7.865 -0.932 287 HA TRP 41 HA TRP 41 0.743 -8.717 -1.770 288 1HB TRP 41 1HB TRP 41 1.522 -10.819 -0.850 289 2HB TRP 41 2HB TRP 41 2.090 -10.012 0.618 290 HD1 TRP 41 HD TRP 41 -0.140 -8.559 1.830 291 HE1 TRP 41 1HE TRP 41 -2.381 -9.568 2.500 292 HE3 TRP 41 3HE TRP 41 -0.116 -12.672 -1.217 293 HZ2 TRP 41 2HZ TRP 41 -3.978 -11.880 1.805 294 HZ3 TRP 41 3HZ TRP 41 -2.011 -14.252 -1.185 295 HH2 TRP 41 HH TRP 41 -3.945 -13.872 0.316 296 H VAL 42 H VAL 42 -0.924 -7.758 -0.475 297 HA VAL 42 HA VAL 42 0.020 -5.861 1.601 298 HB VAL 42 HB VAL 42 -1.473 -5.229 -0.951 299 1HG1 VAL 42 1HG1 VAL 42 -1.937 -2.978 0.193 300 2HG1 VAL 42 2HG1 VAL 42 -2.948 -4.347 0.716 301 3HG1 VAL 42 3HG1 VAL 42 -1.591 -3.804 1.731 302 1HG2 VAL 42 1HG2 VAL 42 0.902 -4.117 0.582 303 2HG2 VAL 42 2HG2 VAL 42 0.869 -4.784 -1.068 304 3HG2 VAL 42 3HG2 VAL 42 0.111 -3.210 -0.729 305 H GLU 43 H GLU 43 -1.370 -5.658 3.309 306 HA GLU 43 HA GLU 43 -3.746 -7.415 3.239 307 1HB GLU 43 1HB GLU 43 -2.052 -6.154 5.398 308 2HB GLU 43 2HB GLU 43 -3.686 -6.756 5.768 309 1HG GLU 43 1HG GLU 43 -3.095 -8.950 5.464 310 2HG GLU 43 2HG GLU 43 -1.945 -8.569 4.163 311 H SER 44 H SER 44 -5.784 -6.641 4.180 312 HA SER 44 HA SER 44 -6.157 -3.743 4.345 313 1HB SER 44 1HB SER 44 -7.825 -5.262 2.330 314 2HB SER 44 2HB SER 44 -7.614 -3.504 2.512 315 HG SER 44 HG SER 44 -5.963 -5.397 1.312 316 H GLY 45 H GLY 45 -6.665 -4.415 6.536 317 1HA GLY 45 1HA GLY 45 -8.472 -6.313 7.375 318 2HA GLY 45 2HA GLY 45 -8.284 -4.724 8.152 319 H ASN 46 H ASN 46 -10.692 -5.311 8.552 320 HA ASN 46 HA ASN 46 -12.547 -5.160 6.388 321 1HB ASN 46 1HB ASN 46 -12.956 -6.066 8.714 322 2HB ASN 46 2HB ASN 46 -13.000 -4.385 9.289 323 1HD2 ASN 46 1HD2 ASN 46 -15.126 -6.531 9.180 324 2HD2 ASN 46 2HD2 ASN 46 -16.455 -5.805 8.302 325 H ASN 47 H ASN 47 -10.955 -3.242 5.561 326 HA ASN 47 HA ASN 47 -12.599 -0.831 5.867 327 1HB ASN 47 1HB ASN 47 -10.351 0.473 6.166 328 2HB ASN 47 2HB ASN 47 -11.134 -0.256 7.585 329 1HD2 ASN 47 1HD2 ASN 47 -8.616 -0.801 5.087 330 2HD2 ASN 47 2HD2 ASN 47 -7.610 -1.842 6.071 331 H VAL 48 H VAL 48 -12.562 0.453 4.041 332 HA VAL 48 HA VAL 48 -11.204 -0.740 1.716 333 HB VAL 48 HB VAL 48 -13.105 1.629 1.816 334 1HG1 VAL 48 1HG1 VAL 48 -13.549 0.897 -0.527 335 2HG1 VAL 48 2HG1 VAL 48 -11.847 1.352 -0.276 336 3HG1 VAL 48 3HG1 VAL 48 -12.308 -0.366 -0.348 337 1HG2 VAL 48 1HG2 VAL 48 -13.586 -1.158 2.434 338 2HG2 VAL 48 2HG2 VAL 48 -14.745 0.193 2.393 339 3HG2 VAL 48 3HG2 VAL 48 -14.408 -0.736 0.912 340 H VAL 49 H VAL 49 -9.264 -0.035 1.072 341 HA VAL 49 HA VAL 49 -8.620 2.837 1.472 342 HB VAL 49 HB VAL 49 -6.868 0.448 2.165 343 1HG1 VAL 49 1HG1 VAL 49 -6.007 3.268 2.660 344 2HG1 VAL 49 2HG1 VAL 49 -5.036 1.837 2.242 345 3HG1 VAL 49 3HG1 VAL 49 -5.944 2.697 0.976 346 1HG2 VAL 49 1HG2 VAL 49 -8.077 2.733 3.776 347 2HG2 VAL 49 2HG2 VAL 49 -8.451 0.999 3.926 348 3HG2 VAL 49 3HG2 VAL 49 -6.848 1.609 4.404 349 H THR 50 H THR 50 -7.439 3.764 -0.190 350 HA THR 50 HA THR 50 -7.156 2.055 -2.595 351 HB THR 50 HB THR 50 -7.563 4.984 -2.065 352 HG1 THR 50 1HG THR 50 -8.562 3.041 -3.876 353 1HG2 THR 50 1HG2 THR 50 -6.138 3.749 -4.448 354 2HG2 THR 50 2HG2 THR 50 -6.981 5.314 -4.547 355 3HG2 THR 50 3HG2 THR 50 -5.606 5.112 -3.434 356 H LEU 51 H LEU 51 -5.207 1.598 -3.490 357 HA LEU 51 HA LEU 51 -2.828 2.764 -2.129 358 1HB LEU 51 1HB LEU 51 -3.423 0.072 -3.364 359 2HB LEU 51 2HB LEU 51 -1.745 0.648 -3.218 360 HG LEU 51 HG LEU 51 -3.766 0.130 -1.015 361 1HD1 LEU 51 1HD1 LEU 51 -1.265 -1.059 -2.034 362 2HD1 LEU 51 2HD1 LEU 51 -1.254 -0.786 -0.275 363 3HD1 LEU 51 3HD1 LEU 51 -2.535 -1.778 -1.014 364 1HD2 LEU 51 1HD2 LEU 51 -1.290 1.885 -1.008 365 2HD2 LEU 51 2HD2 LEU 51 -2.920 2.265 -0.402 366 3HD2 LEU 51 3HD2 LEU 51 -1.891 1.109 0.476 367 H GLN 52 H GLN 52 -1.547 4.076 -3.289 368 HA GLN 52 HA GLN 52 -1.900 4.056 -6.248 369 1HB GLN 52 1HB GLN 52 -1.383 6.236 -4.225 370 2HB GLN 52 2HB GLN 52 -0.865 6.442 -5.916 371 1HG GLN 52 1HG GLN 52 -3.411 5.465 -6.243 372 2HG GLN 52 2HG GLN 52 -3.591 6.409 -4.749 373 1HE2 GLN 52 1HE2 GLN 52 -2.045 6.662 -8.005 374 2HE2 GLN 52 2HE2 GLN 52 -2.464 8.343 -8.260 375 H PHE 53 H PHE 53 -0.282 2.909 -7.152 376 HA PHE 53 HA PHE 53 2.481 3.571 -6.287 377 1HB PHE 53 1HB PHE 53 3.103 1.221 -6.421 378 2HB PHE 53 2HB PHE 53 1.821 1.451 -5.220 379 HD1 PHE 53 1HD PHE 53 -0.515 0.753 -5.736 380 HD2 PHE 53 2HD PHE 53 2.764 -0.129 -8.367 381 HE1 PHE 53 1HE PHE 53 -1.890 -0.971 -6.873 382 HE2 PHE 53 2HE PHE 53 1.389 -1.852 -9.503 383 HZ PHE 53 HZ PHE 53 -0.938 -2.273 -8.756 384 H GLN 54 H GLN 54 4.089 3.200 -7.952 385 HA GLN 54 HA GLN 54 2.890 3.435 -10.658 386 1HB GLN 54 1HB GLN 54 4.619 5.098 -9.440 387 2HB GLN 54 2HB GLN 54 5.789 3.956 -10.144 388 1HG GLN 54 1HG GLN 54 5.007 4.353 -12.355 389 2HG GLN 54 2HG GLN 54 3.523 5.141 -11.775 390 1HE2 GLN 54 1HE2 GLN 54 6.866 5.548 -12.641 391 2HE2 GLN 54 2HE2 GLN 54 6.978 7.265 -12.319 392 H ARG 55 H ARG 55 2.820 1.588 -11.788 393 HA ARG 55 HA ARG 55 4.148 -0.788 -11.130 394 1HB ARG 55 1HB ARG 55 2.425 0.200 -13.193 395 2HB ARG 55 2HB ARG 55 3.776 -0.661 -13.969 396 1HG ARG 55 1HG ARG 55 2.251 -1.817 -11.609 397 2HG ARG 55 2HG ARG 55 1.751 -2.093 -13.295 398 1HD ARG 55 1HD ARG 55 3.862 -3.138 -13.826 399 2HD ARG 55 2HD ARG 55 4.551 -2.670 -12.257 400 HE ARG 55 HE ARG 55 2.294 -4.201 -11.663 401 1HH1 ARG 55 1HH1 ARG 55 3.809 -7.380 -11.858 402 2HH1 ARG 55 2HH1 ARG 55 2.452 -6.467 -11.238 403 1HH2 ARG 55 1HH2 ARG 55 5.450 -6.316 -13.107 404 2HH2 ARG 55 2HH2 ARG 55 5.330 -4.601 -13.429 405 H ASN 56 H ASN 56 5.009 1.606 -13.695 406 HA ASN 56 HA ASN 56 7.773 0.494 -13.607 407 1HB ASN 56 1HB ASN 56 6.144 1.777 -15.819 408 2HB ASN 56 2HB ASN 56 7.909 1.591 -15.917 409 1HD2 ASN 56 1HD2 ASN 56 8.229 -0.009 -17.390 410 2HD2 ASN 56 2HD2 ASN 56 7.501 -1.600 -17.309 411 H LEU 57 H LEU 57 9.511 1.902 -13.410 412 HA LEU 57 HA LEU 57 8.853 4.495 -12.222 413 1HB LEU 57 1HB LEU 57 10.563 3.098 -11.181 414 2HB LEU 57 2HB LEU 57 11.485 3.044 -12.703 415 HG LEU 57 HG LEU 57 11.973 5.387 -12.600 416 1HD1 LEU 57 1HD1 LEU 57 9.583 5.388 -10.867 417 2HD1 LEU 57 2HD1 LEU 57 10.902 6.416 -10.259 418 3HD1 LEU 57 3HD1 LEU 57 10.247 6.683 -11.892 419 1HD2 LEU 57 1HD2 LEU 57 12.696 3.598 -10.533 420 2HD2 LEU 57 2HD2 LEU 57 13.536 5.096 -10.998 421 3HD2 LEU 57 3HD2 LEU 57 12.299 5.130 -9.719 422 H SER 58 H SER 58 10.893 3.294 -14.950 423 HA SER 58 HA SER 58 11.688 5.720 -16.013 424 1HB SER 58 1HB SER 58 11.871 3.092 -16.755 425 2HB SER 58 2HB SER 58 10.773 3.724 -18.007 426 HG SER 58 HG SER 58 12.794 4.125 -18.742 427 H ASP 59 H ASP 59 8.605 3.965 -16.617 428 HA ASP 59 HA ASP 59 7.586 6.404 -17.975 429 1HB ASP 59 1HB ASP 59 7.355 4.463 -19.346 430 2HB ASP 59 2HB ASP 59 6.747 3.490 -17.990 431 HA PRO 60 HA PRO 60 5.065 7.310 -14.486 432 1HB PRO 60 1HB PRO 60 3.159 8.867 -15.654 433 2HB PRO 60 2HB PRO 60 4.874 9.385 -15.556 434 1HG PRO 60 1HG PRO 60 3.495 8.022 -17.887 435 2HG PRO 60 2HG PRO 60 4.461 9.533 -17.927 436 1HD PRO 60 1HD PRO 60 5.570 7.122 -18.545 437 2HD PRO 60 2HD PRO 60 6.489 8.324 -17.590 438 H ARG 61 H ARG 61 4.717 4.696 -15.293 439 HA ARG 61 HA ARG 61 1.995 4.179 -16.129 440 1HB ARG 61 1HB ARG 61 4.441 2.711 -15.686 441 2HB ARG 61 2HB ARG 61 3.105 1.912 -14.821 442 1HG ARG 61 1HG ARG 61 2.218 2.815 -17.438 443 2HG ARG 61 2HG ARG 61 3.666 1.792 -17.595 444 1HD ARG 61 1HD ARG 61 2.366 0.299 -15.805 445 2HD ARG 61 2HD ARG 61 0.950 1.118 -16.499 446 HE ARG 61 HE ARG 61 1.177 -0.181 -18.388 447 1HH1 ARG 61 1HH1 ARG 61 3.883 -2.174 -19.458 448 2HH1 ARG 61 2HH1 ARG 61 2.226 -1.710 -19.768 449 1HH2 ARG 61 1HH2 ARG 61 5.030 -1.255 -17.663 450 2HH2 ARG 61 2HH2 ARG 61 4.237 -0.098 -16.618 451 H LEU 62 H LEU 62 0.899 5.573 -14.540 452 HA LEU 62 HA LEU 62 1.037 4.844 -11.732 453 1HB LEU 62 1HB LEU 62 -0.102 6.946 -13.384 454 2HB LEU 62 2HB LEU 62 -1.307 6.333 -12.226 455 HG LEU 62 HG LEU 62 0.417 8.236 -11.520 456 1HD1 LEU 62 1HD1 LEU 62 0.182 5.973 -9.550 457 2HD1 LEU 62 2HD1 LEU 62 -0.110 7.713 -9.318 458 3HD1 LEU 62 3HD1 LEU 62 -1.309 6.716 -10.176 459 1HD2 LEU 62 1HD2 LEU 62 2.499 7.484 -10.724 460 2HD2 LEU 62 2HD2 LEU 62 1.974 5.784 -10.675 461 3HD2 LEU 62 3HD2 LEU 62 2.307 6.568 -12.238 462 H GLU 63 H GLU 63 -0.209 3.415 -10.636 463 HA GLU 63 HA GLU 63 -2.588 2.311 -12.037 464 1HB GLU 63 1HB GLU 63 -0.486 0.691 -10.549 465 2HB GLU 63 2HB GLU 63 -1.949 0.058 -11.340 466 1HG GLU 63 1HG GLU 63 0.170 1.651 -12.824 467 2HG GLU 63 2HG GLU 63 0.223 -0.120 -12.684 468 H THR 64 H THR 64 -4.355 2.014 -10.747 469 HA THR 64 HA THR 64 -3.961 2.621 -7.854 470 HB THR 64 HB THR 64 -6.487 3.241 -8.091 471 HG1 THR 64 1HG THR 64 -7.052 3.833 -10.162 472 1HG2 THR 64 1HG2 THR 64 -5.593 5.294 -7.844 473 2HG2 THR 64 2HG2 THR 64 -4.028 4.667 -8.414 474 3HG2 THR 64 3HG2 THR 64 -5.193 5.342 -9.578 475 H ILE 65 H ILE 65 -4.909 1.291 -6.333 476 HA ILE 65 HA ILE 65 -6.502 -1.001 -7.337 477 HB ILE 65 HB ILE 65 -4.036 -1.598 -7.113 478 1HG1 ILE 65 1HG1 ILE 65 -6.013 -2.987 -5.252 479 2HG1 ILE 65 2HG1 ILE 65 -5.864 -3.273 -7.003 480 1HG2 ILE 65 1HG2 ILE 65 -4.556 -1.538 -4.134 481 2HG2 ILE 65 2HG2 ILE 65 -3.004 -1.628 -5.000 482 3HG2 ILE 65 3HG2 ILE 65 -3.915 -0.099 -4.963 483 1HD1 ILE 65 1HD1 ILE 65 -4.622 -4.988 -5.736 484 2HD1 ILE 65 2HD1 ILE 65 -3.502 -3.972 -6.675 485 3HD1 ILE 65 3HD1 ILE 65 -3.679 -3.717 -4.923 486 H THR 66 H THR 66 -8.273 -1.343 -6.112 487 HA THR 66 HA THR 66 -8.413 0.108 -3.523 488 HB THR 66 HB THR 66 -10.745 -1.117 -5.009 489 HG1 THR 66 1HG THR 66 -9.637 1.471 -5.385 490 1HG2 THR 66 1HG2 THR 66 -10.510 0.134 -2.568 491 2HG2 THR 66 2HG2 THR 66 -10.915 1.502 -3.632 492 3HG2 THR 66 3HG2 THR 66 -11.999 0.094 -3.542 493 H LEU 67 H LEU 67 -8.259 -1.035 -1.694 494 HA LEU 67 HA LEU 67 -8.545 -3.976 -1.859 495 1HB LEU 67 1HB LEU 67 -7.509 -2.231 0.408 496 2HB LEU 67 2HB LEU 67 -7.362 -3.999 0.262 497 HG LEU 67 HG LEU 67 -6.299 -2.196 -1.921 498 1HD1 LEU 67 1HD1 LEU 67 -4.298 -3.115 0.023 499 2HD1 LEU 67 2HD1 LEU 67 -4.523 -1.504 -0.699 500 3HD1 LEU 67 3HD1 LEU 67 -5.464 -1.975 0.736 501 1HD2 LEU 67 1HD2 LEU 67 -6.519 -4.938 -1.611 502 2HD2 LEU 67 2HD2 LEU 67 -5.364 -4.120 -2.691 503 3HD2 LEU 67 3HD2 LEU 67 -4.855 -4.627 -1.062 504 H GLN 68 H GLN 68 -10.328 -4.975 -1.136 505 HA GLN 68 HA GLN 68 -12.413 -3.382 0.155 506 1HB GLN 68 1HB GLN 68 -12.248 -6.287 -0.735 507 2HB GLN 68 2HB GLN 68 -13.700 -5.530 -0.036 508 1HG GLN 68 1HG GLN 68 -12.317 -4.205 -2.363 509 2HG GLN 68 2HG GLN 68 -13.363 -5.611 -2.662 510 1HE2 GLN 68 1HE2 GLN 68 -13.217 -2.245 -1.620 511 2HE2 GLN 68 2HE2 GLN 68 -14.943 -1.951 -1.630 512 H LYS 69 H LYS 69 -13.667 -4.907 1.921 513 HA LYS 69 HA LYS 69 -12.147 -4.702 4.274 514 1HB LYS 69 1HB LYS 69 -14.425 -6.662 3.894 515 2HB LYS 69 2HB LYS 69 -13.989 -5.732 5.347 516 1HG LYS 69 1HG LYS 69 -15.611 -4.295 4.639 517 2HG LYS 69 2HG LYS 69 -14.363 -3.722 3.507 518 1HD LYS 69 1HD LYS 69 -15.316 -5.887 2.141 519 2HD LYS 69 2HD LYS 69 -16.788 -5.374 3.000 520 1HE LYS 69 1HE LYS 69 -15.023 -3.438 1.462 521 2HE LYS 69 2HE LYS 69 -16.381 -4.301 0.708 522 1HZ LYS 69 1HZ LYS 69 -17.770 -3.349 2.480 523 2HZ LYS 69 2HZ LYS 69 -16.495 -2.413 2.946 524 3HZ LYS 69 3HZ LYS 69 -17.144 -2.232 1.441 525 H TRP 70 H TRP 70 -10.502 -5.877 5.055 526 HA TRP 70 HA TRP 70 -9.054 -7.617 5.383 527 1HB TRP 70 1HB TRP 70 -11.390 -9.361 4.552 528 2HB TRP 70 2HB TRP 70 -9.975 -9.854 5.492 529 HD1 TRP 70 HD TRP 70 -13.447 -8.874 5.909 530 HE1 TRP 70 1HE TRP 70 -14.011 -8.266 8.318 531 HE3 TRP 70 3HE TRP 70 -8.697 -8.413 7.758 532 HZ2 TRP 70 2HZ TRP 70 -12.582 -7.652 10.758 533 HZ3 TRP 70 3HZ TRP 70 -8.338 -7.816 10.125 534 HH2 TRP 70 HH TRP 70 -10.265 -7.433 11.635 535 H GLY 71 H GLY 71 -9.422 -6.337 2.692 536 1HA GLY 71 1HA GLY 71 -8.997 -8.452 0.744 537 2HA GLY 71 2HA GLY 71 -8.856 -6.700 0.477 538 H SER 72 H SER 72 -7.038 -8.838 -0.427 539 HA SER 72 HA SER 72 -4.573 -7.807 0.874 540 1HB SER 72 1HB SER 72 -4.432 -10.606 -0.041 541 2HB SER 72 2HB SER 72 -3.842 -9.865 1.466 542 HG SER 72 HG SER 72 -6.429 -9.764 1.632 543 H TRP 73 H TRP 73 -2.650 -8.016 -0.514 544 HA TRP 73 HA TRP 73 -3.341 -8.291 -3.395 545 1HB TRP 73 1HB TRP 73 -3.260 -5.893 -2.606 546 2HB TRP 73 2HB TRP 73 -1.554 -6.148 -2.215 547 HD1 TRP 73 HD TRP 73 -3.092 -7.588 -5.395 548 HE1 TRP 73 1HE TRP 73 -2.069 -6.470 -7.441 549 HE3 TRP 73 3HE TRP 73 -0.370 -3.944 -3.047 550 HZ2 TRP 73 2HZ TRP 73 -0.284 -4.263 -8.004 551 HZ3 TRP 73 3HZ TRP 73 0.977 -2.355 -4.370 552 HH2 TRP 73 HH TRP 73 1.031 -2.500 -6.842 553 H ASN 74 H ASN 74 -1.965 -9.575 -4.492 554 HA ASN 74 HA ASN 74 0.756 -9.982 -3.378 555 1HB ASN 74 1HB ASN 74 0.520 -12.416 -3.786 556 2HB ASN 74 2HB ASN 74 -0.610 -11.829 -2.546 557 1HD2 ASN 74 1HD2 ASN 74 -0.856 -14.254 -4.170 558 2HD2 ASN 74 2HD2 ASN 74 -2.331 -14.088 -5.099 559 HA PRO 75 HA PRO 75 0.700 -9.152 -7.936 560 1HB PRO 75 1HB PRO 75 2.576 -7.177 -7.932 561 2HB PRO 75 2HB PRO 75 0.871 -6.862 -7.473 562 1HG PRO 75 1HG PRO 75 3.197 -7.442 -5.616 563 2HG PRO 75 2HG PRO 75 2.048 -6.067 -5.525 564 1HD PRO 75 1HD PRO 75 1.681 -8.327 -4.047 565 2HD PRO 75 2HD PRO 75 0.285 -7.503 -4.805 566 H GLY 76 H GLY 76 3.882 -8.320 -6.572 567 1HA GLY 76 1HA GLY 76 5.266 -10.633 -6.410 568 2HA GLY 76 2HA GLY 76 5.107 -10.445 -8.171 569 H HIS 77 H HIS 77 5.940 -8.467 -5.266 570 HA HIS 77 HA HIS 77 7.639 -6.976 -4.909 571 1HB HIS 77 1HB HIS 77 9.079 -8.828 -5.655 572 2HB HIS 77 2HB HIS 77 8.859 -8.326 -7.342 573 HD1 HIS 77 1HD HIS 77 9.433 -5.281 -7.222 574 HD2 HIS 77 2HD HIS 77 11.526 -8.221 -5.037 575 HE1 HIS 77 1HE HIS 77 11.718 -4.266 -6.629 576 HE2 HIS 77 2HE HIS 77 12.980 -6.061 -5.302 577 H ILE 78 H ILE 78 6.441 -5.112 -5.305 578 HA ILE 78 HA ILE 78 6.224 -4.143 -8.075 579 HB ILE 78 HB ILE 78 5.261 -2.959 -5.441 580 1HG1 ILE 78 1HG1 ILE 78 4.382 -5.280 -6.510 581 2HG1 ILE 78 2HG1 ILE 78 3.291 -4.122 -5.711 582 1HG2 ILE 78 1HG2 ILE 78 5.457 -1.230 -7.113 583 2HG2 ILE 78 2HG2 ILE 78 4.755 -2.282 -8.365 584 3HG2 ILE 78 3HG2 ILE 78 3.739 -1.686 -7.031 585 1HD1 ILE 78 1HD1 ILE 78 3.910 -3.907 -8.670 586 2HD1 ILE 78 2HD1 ILE 78 2.631 -4.992 -8.074 587 3HD1 ILE 78 3HD1 ILE 78 2.527 -3.241 -7.769 588 H HIS 79 H HIS 79 7.204 -2.262 -8.848 589 HA HIS 79 HA HIS 79 9.803 -1.707 -8.206 590 1HB HIS 79 1HB HIS 79 8.983 -0.725 -10.158 591 2HB HIS 79 2HB HIS 79 7.578 -0.023 -9.335 592 HD1 HIS 79 1HD HIS 79 11.358 0.450 -8.537 593 HD2 HIS 79 2HD HIS 79 7.843 2.552 -9.551 594 HE1 HIS 79 1HE HIS 79 11.949 2.950 -8.458 595 HE2 HIS 79 2HE HIS 79 9.806 4.216 -9.075 596 H GLU 80 H GLU 80 7.314 0.727 -7.318 597 HA GLU 80 HA GLU 80 8.114 0.703 -4.523 598 1HB GLU 80 1HB GLU 80 10.007 1.934 -5.387 599 2HB GLU 80 2HB GLU 80 8.945 2.978 -6.361 600 1HG GLU 80 1HG GLU 80 8.277 2.869 -3.475 601 2HG GLU 80 2HG GLU 80 9.855 3.598 -3.844 602 H ILE 81 H ILE 81 6.721 1.979 -3.218 603 HA ILE 81 HA ILE 81 4.121 2.448 -4.455 604 HB ILE 81 HB ILE 81 5.173 2.741 -1.616 605 1HG1 ILE 81 1HG1 ILE 81 5.010 0.427 -2.603 606 2HG1 ILE 81 2HG1 ILE 81 3.927 0.690 -1.215 607 1HG2 ILE 81 1HG2 ILE 81 2.252 2.659 -2.346 608 2HG2 ILE 81 2HG2 ILE 81 3.043 3.366 -0.916 609 3HG2 ILE 81 3HG2 ILE 81 3.129 4.202 -2.485 610 1HD1 ILE 81 1HD1 ILE 81 3.221 -0.138 -3.852 611 2HD1 ILE 81 2HD1 ILE 81 2.130 0.223 -2.492 612 3HD1 ILE 81 3HD1 ILE 81 2.581 1.509 -3.637 613 H LEU 82 H LEU 82 3.156 4.399 -4.866 614 HA LEU 82 HA LEU 82 4.938 6.736 -4.856 615 1HB LEU 82 1HB LEU 82 2.096 6.407 -5.896 616 2HB LEU 82 2HB LEU 82 3.206 7.756 -6.240 617 HG LEU 82 HG LEU 82 3.187 4.971 -7.318 618 1HD1 LEU 82 1HD1 LEU 82 3.739 7.788 -8.214 619 2HD1 LEU 82 2HD1 LEU 82 4.474 6.451 -9.131 620 3HD1 LEU 82 3HD1 LEU 82 2.705 6.544 -8.956 621 1HD2 LEU 82 1HD2 LEU 82 5.697 6.471 -6.495 622 2HD2 LEU 82 2HD2 LEU 82 5.252 4.786 -6.134 623 3HD2 LEU 82 3HD2 LEU 82 5.701 5.253 -7.792 624 H SER 83 H SER 83 1.478 6.210 -3.957 625 HA SER 83 HA SER 83 1.969 7.663 -1.435 626 1HB SER 83 1HB SER 83 1.313 9.308 -3.277 627 2HB SER 83 2HB SER 83 -0.264 8.484 -3.320 628 HG SER 83 HG SER 83 0.730 9.225 -0.828 629 H ILE 84 H ILE 84 -0.147 7.657 -0.102 630 HA ILE 84 HA ILE 84 -1.691 5.177 -0.666 631 HB ILE 84 HB ILE 84 -0.203 5.990 1.837 632 1HG1 ILE 84 1HG1 ILE 84 -0.588 3.315 0.430 633 2HG1 ILE 84 2HG1 ILE 84 0.782 4.412 0.135 634 1HG2 ILE 84 1HG2 ILE 84 -2.118 5.508 2.984 635 2HG2 ILE 84 2HG2 ILE 84 -2.862 4.689 1.591 636 3HG2 ILE 84 3HG2 ILE 84 -1.690 3.821 2.611 637 1HD1 ILE 84 1HD1 ILE 84 0.476 2.478 2.231 638 2HD1 ILE 84 2HD1 ILE 84 1.840 3.583 1.943 639 3HD1 ILE 84 3HD1 ILE 84 0.483 4.095 2.975 640 H ARG 85 H ARG 85 -3.851 5.433 -0.488 641 HA ARG 85 HA ARG 85 -4.815 7.887 0.905 642 1HB ARG 85 1HB ARG 85 -4.943 8.023 -1.596 643 2HB ARG 85 2HB ARG 85 -5.998 6.589 -1.579 644 1HG ARG 85 1HG ARG 85 -7.466 7.907 0.089 645 2HG ARG 85 2HG ARG 85 -6.533 9.339 -0.410 646 1HD ARG 85 1HD ARG 85 -7.101 8.702 -2.821 647 2HD ARG 85 2HD ARG 85 -8.254 7.531 -2.144 648 HE ARG 85 HE ARG 85 -8.965 9.839 -0.880 649 1HH1 ARG 85 1HH1 ARG 85 -10.686 11.539 -3.447 650 2HH1 ARG 85 2HH1 ARG 85 -10.459 11.389 -1.719 651 1HH2 ARG 85 1HH2 ARG 85 -9.486 10.181 -4.897 652 2HH2 ARG 85 2HH2 ARG 85 -8.355 9.007 -4.262 653 H ILE 86 H ILE 86 -6.283 7.543 2.476 654 HA ILE 86 HA ILE 86 -7.519 4.832 2.603 655 HB ILE 86 HB ILE 86 -6.871 6.751 4.875 656 1HG1 ILE 86 1HG1 ILE 86 -5.519 4.102 4.297 657 2HG1 ILE 86 2HG1 ILE 86 -4.929 5.610 3.559 658 1HG2 ILE 86 1HG2 ILE 86 -7.277 3.896 5.444 659 2HG2 ILE 86 2HG2 ILE 86 -8.004 5.323 6.221 660 3HG2 ILE 86 3HG2 ILE 86 -8.717 4.661 4.731 661 1HD1 ILE 86 1HD1 ILE 86 -4.659 6.623 5.780 662 2HD1 ILE 86 2HD1 ILE 86 -5.330 5.165 6.549 663 3HD1 ILE 86 3HD1 ILE 86 -3.764 5.086 5.705 664 H TYR 87 H TYR 87 -9.716 4.687 2.784 665 HA TYR 87 HA TYR 87 -11.222 7.156 2.331 666 1HB TYR 87 1HB TYR 87 -11.931 4.212 2.444 667 2HB TYR 87 2HB TYR 87 -13.146 5.486 2.238 668 HD1 TYR 87 1HD TYR 87 -13.858 5.807 0.069 669 HD2 TYR 87 2HD TYR 87 -9.783 4.640 0.767 670 HE1 TYR 87 1HE TYR 87 -13.437 5.814 -2.375 671 HE2 TYR 87 2HE TYR 87 -9.362 4.648 -1.677 672 HH TYR 87 HH TYR 87 -10.260 5.539 -3.756 Start of MODEL 16 1 H MET 1 H MET 1 -3.782 13.755 9.585 2 HA MET 1 HA MET 1 -3.030 12.736 7.672 3 1HB MET 1 1HB MET 1 -0.425 13.691 8.912 4 2HB MET 1 2HB MET 1 -0.544 13.026 7.265 5 1HG MET 1 1HG MET 1 -0.931 15.183 6.686 6 2HG MET 1 2HG MET 1 -2.584 14.814 7.207 7 1HE MET 1 1HE MET 1 -0.810 17.667 6.954 8 2HE MET 1 2HE MET 1 -2.579 17.595 7.139 9 3HE MET 1 3HE MET 1 -1.607 18.575 8.262 10 H ILE 2 H ILE 2 -1.812 10.885 6.752 11 HA ILE 2 HA ILE 2 -2.117 8.557 8.275 12 HB ILE 2 HB ILE 2 -1.826 8.870 5.731 13 1HG1 ILE 2 1HG1 ILE 2 -0.164 6.651 6.979 14 2HG1 ILE 2 2HG1 ILE 2 -1.942 6.682 7.065 15 1HG2 ILE 2 1HG2 ILE 2 0.650 9.843 6.506 16 2HG2 ILE 2 2HG2 ILE 2 1.032 8.178 6.006 17 3HG2 ILE 2 3HG2 ILE 2 0.234 9.288 4.867 18 1HD1 ILE 2 1HD1 ILE 2 -0.144 6.238 4.709 19 2HD1 ILE 2 2HD1 ILE 2 -1.712 5.492 5.102 20 3HD1 ILE 2 3HD1 ILE 2 -1.654 7.137 4.425 21 H ASN 3 H ASN 3 -0.652 7.176 9.358 22 HA ASN 3 HA ASN 3 2.027 8.300 9.939 23 1HB ASN 3 1HB ASN 3 -0.193 8.412 11.721 24 2HB ASN 3 2HB ASN 3 0.909 7.161 12.335 25 1HD2 ASN 3 1HD2 ASN 3 2.170 8.012 13.893 26 2HD2 ASN 3 2HD2 ASN 3 2.978 9.562 13.810 27 H ARG 4 H ARG 4 3.599 6.754 10.264 28 HA ARG 4 HA ARG 4 2.958 4.078 9.369 29 1HB ARG 4 1HB ARG 4 5.066 4.998 8.711 30 2HB ARG 4 2HB ARG 4 5.475 5.437 10.387 31 1HG ARG 4 1HG ARG 4 6.687 3.407 9.795 32 2HG ARG 4 2HG ARG 4 5.423 2.992 10.978 33 1HD ARG 4 1HD ARG 4 3.927 2.453 8.962 34 2HD ARG 4 2HD ARG 4 5.401 2.548 7.973 35 HE ARG 4 HE ARG 4 4.603 0.375 9.687 36 1HH1 ARG 4 1HH1 ARG 4 7.764 -1.180 9.503 37 2HH1 ARG 4 2HH1 ARG 4 6.080 -1.385 9.931 38 1HH2 ARG 4 1HH2 ARG 4 8.515 0.860 8.691 39 2HH2 ARG 4 2HH2 ARG 4 7.397 2.193 8.506 40 H THR 5 H THR 5 1.991 2.623 10.657 41 HA THR 5 HA THR 5 2.792 2.603 13.531 42 HB THR 5 HB THR 5 0.434 3.284 13.143 43 HG1 THR 5 1HG THR 5 0.489 2.246 14.989 44 1HG2 THR 5 1HG2 THR 5 -0.219 2.252 11.134 45 2HG2 THR 5 2HG2 THR 5 0.448 0.673 11.615 46 3HG2 THR 5 3HG2 THR 5 -1.055 1.269 12.361 47 H ASP 6 H ASP 6 3.027 0.539 14.534 48 HA ASP 6 HA ASP 6 3.882 -1.533 12.618 49 1HB ASP 6 1HB ASP 6 4.318 -0.967 15.548 50 2HB ASP 6 2HB ASP 6 4.617 -2.594 14.898 51 H CYS 7 H CYS 7 1.057 -1.018 12.800 52 HA CYS 7 HA CYS 7 -0.923 -2.135 13.065 53 1HB CYS 7 1HB CYS 7 0.042 -4.799 13.548 54 2HB CYS 7 2HB CYS 7 -0.735 -4.135 12.102 55 H ASN 8 H ASN 8 -1.813 -1.450 14.962 56 HA ASN 8 HA ASN 8 -0.820 -2.642 17.483 57 1HB ASN 8 1HB ASN 8 -2.467 -0.920 18.448 58 2HB ASN 8 2HB ASN 8 -1.015 -0.292 17.639 59 1HD2 ASN 8 1HD2 ASN 8 -1.211 0.477 15.405 60 2HD2 ASN 8 2HD2 ASN 8 -2.746 1.104 14.843 61 H GLU 9 H GLU 9 -3.513 -2.689 15.225 62 HA GLU 9 HA GLU 9 -4.869 -4.643 17.021 63 1HB GLU 9 1HB GLU 9 -5.977 -2.321 15.444 64 2HB GLU 9 2HB GLU 9 -6.988 -3.749 15.768 65 1HG GLU 9 1HG GLU 9 -5.632 -3.069 18.196 66 2HG GLU 9 2HG GLU 9 -6.333 -1.576 17.535 67 H ASN 10 H ASN 10 -6.749 -5.670 15.408 68 HA ASN 10 HA ASN 10 -5.165 -6.735 13.120 69 1HB ASN 10 1HB ASN 10 -7.119 -7.952 15.058 70 2HB ASN 10 2HB ASN 10 -6.975 -8.633 13.423 71 1HD2 ASN 10 1HD2 ASN 10 -5.471 -10.180 13.134 72 2HD2 ASN 10 2HD2 ASN 10 -4.062 -10.428 14.144 73 H SER 11 H SER 11 -6.126 -4.508 12.284 74 HA SER 11 HA SER 11 -8.062 -5.164 10.323 75 1HB SER 11 1HB SER 11 -10.047 -4.164 11.096 76 2HB SER 11 2HB SER 11 -9.460 -5.068 12.513 77 HG SER 11 HG SER 11 -8.282 -2.851 12.796 78 H TYR 12 H TYR 12 -6.047 -4.161 9.412 79 HA TYR 12 HA TYR 12 -6.579 -1.376 8.812 80 1HB TYR 12 1HB TYR 12 -4.370 -2.188 10.678 81 2HB TYR 12 2HB TYR 12 -4.091 -0.860 9.539 82 HD1 TYR 12 1HD TYR 12 -6.545 0.621 9.444 83 HD2 TYR 12 2HD TYR 12 -4.720 -1.339 12.802 84 HE1 TYR 12 1HE TYR 12 -7.701 2.184 10.984 85 HE2 TYR 12 2HE TYR 12 -5.876 0.224 14.342 86 HH TYR 12 HH TYR 12 -6.956 2.425 14.357 87 H LEU 13 H LEU 13 -4.525 -0.538 7.466 88 HA LEU 13 HA LEU 13 -4.089 -2.641 5.446 89 1HB LEU 13 1HB LEU 13 -4.778 -0.697 4.382 90 2HB LEU 13 2HB LEU 13 -3.939 0.362 5.542 91 HG LEU 13 HG LEU 13 -1.791 -0.907 4.531 92 1HD1 LEU 13 1HD1 LEU 13 -2.796 -0.656 1.892 93 2HD1 LEU 13 2HD1 LEU 13 -2.292 -2.150 2.717 94 3HD1 LEU 13 3HD1 LEU 13 -3.993 -1.629 2.781 95 1HD2 LEU 13 1HD2 LEU 13 -2.396 1.074 2.581 96 2HD2 LEU 13 2HD2 LEU 13 -3.170 1.600 4.095 97 3HD2 LEU 13 3HD2 LEU 13 -1.422 1.265 4.058 98 H GLU 14 H GLU 14 -2.172 -3.636 5.108 99 HA GLU 14 HA GLU 14 0.263 -2.427 6.283 100 1HB GLU 14 1HB GLU 14 -0.532 -5.335 6.684 101 2HB GLU 14 2HB GLU 14 0.898 -4.506 7.346 102 1HG GLU 14 1HG GLU 14 -0.501 -4.325 9.170 103 2HG GLU 14 2HG GLU 14 -0.977 -2.849 8.302 104 H ILE 15 H ILE 15 1.687 -2.246 4.669 105 HA ILE 15 HA ILE 15 1.540 -4.219 2.449 106 HB ILE 15 HB ILE 15 2.972 -1.540 2.494 107 1HG1 ILE 15 1HG1 ILE 15 0.295 -1.995 1.181 108 2HG1 ILE 15 2HG1 ILE 15 0.360 -1.612 2.918 109 1HG2 ILE 15 1HG2 ILE 15 2.206 -2.046 -0.072 110 2HG2 ILE 15 2HG2 ILE 15 3.775 -2.550 0.601 111 3HG2 ILE 15 3HG2 ILE 15 2.426 -3.709 0.524 112 1HD1 ILE 15 1HD1 ILE 15 0.179 0.367 1.235 113 2HD1 ILE 15 2HD1 ILE 15 1.384 0.486 2.539 114 3HD1 ILE 15 3HD1 ILE 15 1.894 0.040 0.893 115 H HIS 16 H HIS 16 3.066 -5.751 2.356 116 HA HIS 16 HA HIS 16 5.647 -5.210 3.750 117 1HB HIS 16 1HB HIS 16 5.755 -7.608 4.204 118 2HB HIS 16 2HB HIS 16 4.269 -6.913 4.877 119 HD1 HIS 16 1HD HIS 16 5.447 -9.511 2.402 120 HD2 HIS 16 2HD HIS 16 1.925 -7.473 3.516 121 HE1 HIS 16 1HE HIS 16 3.488 -10.806 1.359 122 HE2 HIS 16 2HE HIS 16 1.355 -9.559 2.042 123 H ASN 17 H ASN 17 7.014 -4.627 2.130 124 HA ASN 17 HA ASN 17 6.927 -6.190 -0.390 125 1HB ASN 17 1HB ASN 17 8.457 -4.355 -1.193 126 2HB ASN 17 2HB ASN 17 6.836 -3.808 -0.712 127 1HD2 ASN 17 1HD2 ASN 17 8.702 -1.872 -0.817 128 2HD2 ASN 17 2HD2 ASN 17 9.230 -1.401 0.784 129 H ASN 18 H ASN 18 9.448 -6.048 -1.318 130 HA ASN 18 HA ASN 18 11.489 -7.077 -1.197 131 1HB ASN 18 1HB ASN 18 11.139 -5.957 1.577 132 2HB ASN 18 2HB ASN 18 12.533 -6.999 1.217 133 1HD2 ASN 18 1HD2 ASN 18 11.444 -3.826 1.269 134 2HD2 ASN 18 2HD2 ASN 18 12.601 -3.111 0.166 135 H GLU 19 H GLU 19 9.092 -8.677 -0.982 136 HA GLU 19 HA GLU 19 8.550 -10.869 -0.603 137 1HB GLU 19 1HB GLU 19 11.493 -10.957 0.136 138 2HB GLU 19 2HB GLU 19 10.450 -12.399 0.143 139 1HG GLU 19 1HG GLU 19 9.872 -11.987 -2.229 140 2HG GLU 19 2HG GLU 19 10.922 -10.554 -2.234 141 H GLY 20 H GLY 20 8.581 -8.642 1.544 142 1HA GLY 20 1HA GLY 20 7.423 -8.736 3.599 143 2HA GLY 20 2HA GLY 20 7.843 -10.458 3.754 144 H ARG 21 H ARG 21 9.967 -7.654 3.031 145 HA ARG 21 HA ARG 21 11.665 -8.472 5.314 146 1HB ARG 21 1HB ARG 21 12.525 -8.126 2.906 147 2HB ARG 21 2HB ARG 21 12.295 -6.387 3.208 148 1HG ARG 21 1HG ARG 21 13.804 -8.082 5.204 149 2HG ARG 21 2HG ARG 21 14.624 -7.488 3.740 150 1HD ARG 21 1HD ARG 21 13.129 -5.306 4.805 151 2HD ARG 21 2HD ARG 21 13.985 -6.059 6.168 152 HE ARG 21 HE ARG 21 15.716 -5.723 3.883 153 1HH1 ARG 21 1HH1 ARG 21 17.221 -2.833 5.232 154 2HH1 ARG 21 2HH1 ARG 21 17.345 -4.090 4.022 155 1HH2 ARG 21 1HH2 ARG 21 15.421 -2.805 6.697 156 2HH2 ARG 21 2HH2 ARG 21 14.188 -4.041 6.591 157 H ASP 22 H ASP 22 9.915 -5.663 3.939 158 HA ASP 22 HA ASP 22 10.054 -4.417 6.638 159 1HB ASP 22 1HB ASP 22 10.537 -3.152 3.923 160 2HB ASP 22 2HB ASP 22 10.138 -2.203 5.371 161 H THR 23 H THR 23 8.034 -4.351 7.422 162 HA THR 23 HA THR 23 5.796 -4.111 5.484 163 HB THR 23 HB THR 23 5.907 -5.017 8.387 164 HG1 THR 23 1HG THR 23 5.493 -7.000 7.480 165 1HG2 THR 23 1HG2 THR 23 3.499 -5.296 6.600 166 2HG2 THR 23 2HG2 THR 23 3.588 -5.211 8.375 167 3HG2 THR 23 3HG2 THR 23 3.795 -3.735 7.402 168 H LEU 24 H LEU 24 4.122 -2.577 5.834 169 HA LEU 24 HA LEU 24 4.741 -0.445 7.807 170 1HB LEU 24 1HB LEU 24 3.823 0.214 5.003 171 2HB LEU 24 2HB LEU 24 4.604 1.268 6.207 172 HG LEU 24 HG LEU 24 6.398 -0.884 5.789 173 1HD1 LEU 24 1HD1 LEU 24 5.690 -1.627 3.728 174 2HD1 LEU 24 2HD1 LEU 24 4.879 -0.092 3.336 175 3HD1 LEU 24 3HD1 LEU 24 6.647 -0.231 3.177 176 1HD2 LEU 24 1HD2 LEU 24 6.917 1.580 4.250 177 2HD2 LEU 24 2HD2 LEU 24 6.415 1.886 5.930 178 3HD2 LEU 24 3HD2 LEU 24 7.834 0.864 5.597 179 H CYS 25 H CYS 25 3.027 -0.492 9.142 180 HA CYS 25 HA CYS 25 0.366 -1.133 8.022 181 1HB CYS 25 1HB CYS 25 0.990 -0.630 10.925 182 2HB CYS 25 2HB CYS 25 -0.274 -1.646 10.211 183 H PHE 26 H PHE 26 -0.925 0.491 7.401 184 HA PHE 26 HA PHE 26 -0.492 3.157 8.654 185 1HB PHE 26 1HB PHE 26 -1.681 2.325 5.989 186 2HB PHE 26 2HB PHE 26 -1.694 3.984 6.610 187 HD1 PHE 26 1HD PHE 26 0.220 1.439 4.896 188 HD2 PHE 26 2HD PHE 26 0.517 5.148 7.042 189 HE1 PHE 26 1HE PHE 26 2.475 1.814 3.936 190 HE2 PHE 26 2HE PHE 26 2.773 5.523 6.082 191 HZ PHE 26 HZ PHE 26 3.752 3.856 4.528 192 H ALA 27 H ALA 27 -2.326 4.391 9.299 193 HA ALA 27 HA ALA 27 -4.894 2.918 9.425 194 1HB ALA 27 1HB ALA 27 -4.146 2.368 11.557 195 2HB ALA 27 2HB ALA 27 -3.197 3.865 11.725 196 3HB ALA 27 3HB ALA 27 -4.971 3.915 11.870 197 H ASN 28 H ASN 28 -6.587 4.526 10.494 198 HA ASN 28 HA ASN 28 -7.728 6.504 10.323 199 1HB ASN 28 1HB ASN 28 -4.871 7.457 10.157 200 2HB ASN 28 2HB ASN 28 -6.211 8.595 9.899 201 1HD2 ASN 28 1HD2 ASN 28 -7.815 8.862 11.618 202 2HD2 ASN 28 2HD2 ASN 28 -7.356 8.565 13.281 203 H ALA 29 H ALA 29 -8.785 7.682 8.714 204 HA ALA 29 HA ALA 29 -8.516 6.696 6.058 205 1HB ALA 29 1HB ALA 29 -10.430 8.048 7.488 206 2HB ALA 29 2HB ALA 29 -9.826 9.327 6.407 207 3HB ALA 29 3HB ALA 29 -10.464 7.812 5.724 208 H GLY 30 H GLY 30 -6.519 8.776 7.760 209 1HA GLY 30 1HA GLY 30 -5.922 10.941 6.186 210 2HA GLY 30 2HA GLY 30 -4.686 9.974 7.022 211 H THR 31 H THR 31 -4.289 11.325 4.513 212 HA THR 31 HA THR 31 -3.600 8.966 2.871 213 HB THR 31 HB THR 31 -5.240 11.351 1.949 214 HG1 THR 31 1HG THR 31 -6.701 9.884 2.228 215 1HG2 THR 31 1HG2 THR 31 -4.892 10.602 -0.323 216 2HG2 THR 31 2HG2 THR 31 -3.287 10.804 0.421 217 3HG2 THR 31 3HG2 THR 31 -3.981 9.176 0.230 218 H MET 32 H MET 32 -1.476 9.088 2.489 219 HA MET 32 HA MET 32 -0.316 11.723 1.815 220 1HB MET 32 1HB MET 32 1.374 11.621 3.449 221 2HB MET 32 2HB MET 32 -0.086 11.121 4.336 222 1HG MET 32 1HG MET 32 0.490 8.759 3.972 223 2HG MET 32 2HG MET 32 1.926 9.238 3.051 224 1HE MET 32 1HE MET 32 3.330 7.451 5.890 225 2HE MET 32 2HE MET 32 1.715 7.541 6.632 226 3HE MET 32 3HE MET 32 1.876 7.218 4.889 227 HA PRO 33 HA PRO 33 1.906 9.387 -1.159 228 1HB PRO 33 1HB PRO 33 4.211 10.814 -1.439 229 2HB PRO 33 2HB PRO 33 2.614 11.500 -1.882 230 1HG PRO 33 1HG PRO 33 4.108 11.861 0.731 231 2HG PRO 33 2HG PRO 33 3.428 13.146 -0.320 232 1HD PRO 33 1HD PRO 33 2.048 12.187 1.826 233 2HD PRO 33 2HD PRO 33 1.200 12.562 0.295 234 H VAL 34 H VAL 34 3.029 7.509 -1.053 235 HA VAL 34 HA VAL 34 5.154 7.270 1.015 236 HB VAL 34 HB VAL 34 4.325 5.134 1.706 237 1HG1 VAL 34 1HG1 VAL 34 2.591 5.936 2.947 238 2HG1 VAL 34 2HG1 VAL 34 2.949 7.479 2.135 239 3HG1 VAL 34 3HG1 VAL 34 1.662 6.421 1.509 240 1HG2 VAL 34 1HG2 VAL 34 3.610 4.526 -0.687 241 2HG2 VAL 34 2HG2 VAL 34 2.548 3.955 0.623 242 3HG2 VAL 34 3HG2 VAL 34 2.088 5.382 -0.337 243 H ALA 35 H ALA 35 6.656 5.453 0.561 244 HA ALA 35 HA ALA 35 6.748 4.799 -2.344 245 1HB ALA 35 1HB ALA 35 8.773 6.098 -0.570 246 2HB ALA 35 2HB ALA 35 9.368 4.886 -1.730 247 3HB ALA 35 3HB ALA 35 8.475 6.311 -2.312 248 H ILE 36 H ILE 36 6.428 2.660 -2.502 249 HA ILE 36 HA ILE 36 7.888 0.916 -0.579 250 HB ILE 36 HB ILE 36 5.023 0.712 -1.565 251 1HG1 ILE 36 1HG1 ILE 36 5.338 0.168 1.204 252 2HG1 ILE 36 2HG1 ILE 36 6.348 1.592 0.860 253 1HG2 ILE 36 1HG2 ILE 36 5.255 -1.531 -1.537 254 2HG2 ILE 36 2HG2 ILE 36 6.949 -1.390 -1.010 255 3HG2 ILE 36 3HG2 ILE 36 5.642 -1.421 0.197 256 1HD1 ILE 36 1HD1 ILE 36 3.734 1.827 1.396 257 2HD1 ILE 36 2HD1 ILE 36 4.541 2.891 0.220 258 3HD1 ILE 36 3HD1 ILE 36 3.600 1.491 -0.346 259 H TYR 37 H TYR 37 9.453 -0.042 -1.745 260 HA TYR 37 HA TYR 37 8.853 -0.756 -4.565 261 1HB TYR 37 1HB TYR 37 11.431 -0.424 -3.003 262 2HB TYR 37 2HB TYR 37 11.363 -1.077 -4.649 263 HD1 TYR 37 1HD TYR 37 10.996 1.934 -2.562 264 HD2 TYR 37 2HD TYR 37 10.831 0.352 -6.552 265 HE1 TYR 37 1HE TYR 37 11.054 4.238 -3.478 266 HE2 TYR 37 2HE TYR 37 10.890 2.655 -7.468 267 HH TYR 37 HH TYR 37 10.609 5.510 -5.450 268 H GLY 38 H GLY 38 8.731 -2.851 -5.209 269 1HA GLY 38 1HA GLY 38 9.004 -5.155 -5.126 270 2HA GLY 38 2HA GLY 38 9.912 -4.984 -3.607 271 H VAL 39 H VAL 39 6.567 -4.313 -4.803 272 HA VAL 39 HA VAL 39 5.460 -4.972 -2.186 273 HB VAL 39 HB VAL 39 4.062 -4.415 -4.831 274 1HG1 VAL 39 1HG1 VAL 39 2.182 -3.787 -3.346 275 2HG1 VAL 39 2HG1 VAL 39 2.659 -5.483 -3.094 276 3HG1 VAL 39 3HG1 VAL 39 3.155 -4.235 -1.925 277 1HG2 VAL 39 1HG2 VAL 39 3.934 -2.209 -3.035 278 2HG2 VAL 39 2HG2 VAL 39 5.641 -2.708 -3.109 279 3HG2 VAL 39 3HG2 VAL 39 4.771 -2.288 -4.604 280 H ASN 40 H ASN 40 5.122 -7.010 -1.539 281 HA ASN 40 HA ASN 40 4.765 -9.094 -3.624 282 1HB ASN 40 1HB ASN 40 5.724 -9.079 -0.762 283 2HB ASN 40 2HB ASN 40 5.128 -10.579 -1.507 284 1HD2 ASN 40 1HD2 ASN 40 7.042 -7.812 -2.814 285 2HD2 ASN 40 2HD2 ASN 40 8.392 -8.784 -3.361 286 H TRP 41 H TRP 41 3.334 -7.706 -0.654 287 HA TRP 41 HA TRP 41 0.690 -8.510 -1.529 288 1HB TRP 41 1HB TRP 41 1.319 -10.627 -0.620 289 2HB TRP 41 2HB TRP 41 2.041 -9.875 0.810 290 HD1 TRP 41 HD TRP 41 -0.088 -8.190 2.049 291 HE1 TRP 41 1HE TRP 41 -2.308 -9.089 2.914 292 HE3 TRP 41 3HE TRP 41 -0.335 -12.503 -0.695 293 HZ2 TRP 41 2HZ TRP 41 -3.996 -11.399 2.475 294 HZ3 TRP 41 3HZ TRP 41 -2.260 -14.025 -0.444 295 HH2 TRP 41 HH TRP 41 -4.095 -13.490 1.132 296 H VAL 42 H VAL 42 -0.962 -7.458 -0.335 297 HA VAL 42 HA VAL 42 0.019 -5.537 1.717 298 HB VAL 42 HB VAL 42 -1.753 -5.027 -0.696 299 1HG1 VAL 42 1HG1 VAL 42 -1.843 -2.664 0.408 300 2HG1 VAL 42 2HG1 VAL 42 -2.932 -3.927 1.030 301 3HG1 VAL 42 3HG1 VAL 42 -1.442 -3.522 1.915 302 1HG2 VAL 42 1HG2 VAL 42 0.136 -4.120 -1.524 303 2HG2 VAL 42 2HG2 VAL 42 0.214 -3.013 -0.132 304 3HG2 VAL 42 3HG2 VAL 42 1.013 -4.602 -0.052 305 H GLU 43 H GLU 43 -1.516 -4.970 3.330 306 HA GLU 43 HA GLU 43 -3.730 -6.944 3.540 307 1HB GLU 43 1HB GLU 43 -2.128 -5.377 5.586 308 2HB GLU 43 2HB GLU 43 -3.629 -6.243 5.996 309 1HG GLU 43 1HG GLU 43 -2.245 -8.140 4.545 310 2HG GLU 43 2HG GLU 43 -0.932 -7.299 5.397 311 H SER 44 H SER 44 -5.784 -6.207 4.416 312 HA SER 44 HA SER 44 -6.291 -3.335 4.499 313 1HB SER 44 1HB SER 44 -7.761 -4.990 2.424 314 2HB SER 44 2HB SER 44 -7.785 -3.224 2.646 315 HG SER 44 HG SER 44 -5.491 -3.306 2.167 316 H GLY 45 H GLY 45 -6.856 -3.960 6.675 317 1HA GLY 45 1HA GLY 45 -8.585 -5.938 7.502 318 2HA GLY 45 2HA GLY 45 -8.504 -4.325 8.247 319 H ASN 46 H ASN 46 -10.872 -4.875 8.626 320 HA ASN 46 HA ASN 46 -12.684 -4.946 6.409 321 1HB ASN 46 1HB ASN 46 -13.295 -5.806 8.604 322 2HB ASN 46 2HB ASN 46 -13.062 -4.202 9.332 323 1HD2 ASN 46 1HD2 ASN 46 -15.445 -5.107 9.889 324 2HD2 ASN 46 2HD2 ASN 46 -16.697 -4.450 8.857 325 H ASN 47 H ASN 47 -11.065 -2.993 5.590 326 HA ASN 47 HA ASN 47 -12.835 -0.656 5.637 327 1HB ASN 47 1HB ASN 47 -11.257 0.890 6.455 328 2HB ASN 47 2HB ASN 47 -11.136 -0.486 7.572 329 1HD2 ASN 47 1HD2 ASN 47 -9.559 -2.305 6.487 330 2HD2 ASN 47 2HD2 ASN 47 -7.989 -1.663 6.055 331 H VAL 48 H VAL 48 -12.540 0.703 3.828 332 HA VAL 48 HA VAL 48 -11.105 -0.616 1.621 333 HB VAL 48 HB VAL 48 -12.854 1.870 1.572 334 1HG1 VAL 48 1HG1 VAL 48 -13.194 0.646 -0.806 335 2HG1 VAL 48 2HG1 VAL 48 -11.876 1.807 -0.516 336 3HG1 VAL 48 3HG1 VAL 48 -11.556 0.058 -0.431 337 1HG2 VAL 48 1HG2 VAL 48 -14.598 0.155 0.757 338 2HG2 VAL 48 2HG2 VAL 48 -13.535 -1.088 1.460 339 3HG2 VAL 48 3HG2 VAL 48 -14.243 0.170 2.502 340 H VAL 49 H VAL 49 -9.169 0.037 0.887 341 HA VAL 49 HA VAL 49 -8.310 2.818 1.478 342 HB VAL 49 HB VAL 49 -6.446 0.449 1.775 343 1HG1 VAL 49 1HG1 VAL 49 -6.380 3.219 3.028 344 2HG1 VAL 49 2HG1 VAL 49 -5.055 2.036 2.914 345 3HG1 VAL 49 3HG1 VAL 49 -5.642 2.859 1.448 346 1HG2 VAL 49 1HG2 VAL 49 -8.213 0.062 3.393 347 2HG2 VAL 49 2HG2 VAL 49 -6.817 0.747 4.259 348 3HG2 VAL 49 3HG2 VAL 49 -8.215 1.777 3.869 349 H THR 50 H THR 50 -7.341 3.804 -0.227 350 HA THR 50 HA THR 50 -7.034 2.182 -2.680 351 HB THR 50 HB THR 50 -7.477 5.070 -2.019 352 HG1 THR 50 1HG THR 50 -9.020 3.412 -2.825 353 1HG2 THR 50 1HG2 THR 50 -6.734 5.723 -4.295 354 2HG2 THR 50 2HG2 THR 50 -5.377 5.107 -3.322 355 3HG2 THR 50 3HG2 THR 50 -6.123 4.073 -4.564 356 H LEU 51 H LEU 51 -5.094 1.640 -3.504 357 HA LEU 51 HA LEU 51 -2.696 2.817 -2.189 358 1HB LEU 51 1HB LEU 51 -3.313 0.125 -3.415 359 2HB LEU 51 2HB LEU 51 -1.632 0.690 -3.263 360 HG LEU 51 HG LEU 51 -3.665 0.199 -1.064 361 1HD1 LEU 51 1HD1 LEU 51 -1.296 -1.115 -2.131 362 2HD1 LEU 51 2HD1 LEU 51 -1.067 -0.703 -0.414 363 3HD1 LEU 51 3HD1 LEU 51 -2.455 -1.700 -0.913 364 1HD2 LEU 51 1HD2 LEU 51 -1.783 1.151 0.430 365 2HD2 LEU 51 2HD2 LEU 51 -1.157 1.908 -1.054 366 3HD2 LEU 51 3HD2 LEU 51 -2.782 2.324 -0.460 367 H GLN 52 H GLN 52 -1.428 4.125 -3.364 368 HA GLN 52 HA GLN 52 -1.781 4.068 -6.324 369 1HB GLN 52 1HB GLN 52 -1.305 6.285 -4.332 370 2HB GLN 52 2HB GLN 52 -0.785 6.474 -6.023 371 1HG GLN 52 1HG GLN 52 -3.331 5.433 -6.303 372 2HG GLN 52 2HG GLN 52 -3.503 6.463 -4.865 373 1HE2 GLN 52 1HE2 GLN 52 -1.542 6.730 -7.887 374 2HE2 GLN 52 2HE2 GLN 52 -2.138 8.314 -8.336 375 H PHE 53 H PHE 53 -0.146 2.898 -7.176 376 HA PHE 53 HA PHE 53 2.604 3.642 -6.341 377 1HB PHE 53 1HB PHE 53 3.272 1.306 -6.372 378 2HB PHE 53 2HB PHE 53 1.971 1.549 -5.195 379 HD1 PHE 53 1HD PHE 53 -0.309 0.716 -5.651 380 HD2 PHE 53 2HD PHE 53 2.956 -0.060 -8.332 381 HE1 PHE 53 1HE PHE 53 -1.629 -1.080 -6.739 382 HE2 PHE 53 2HE PHE 53 1.636 -1.855 -9.420 383 HZ PHE 53 HZ PHE 53 -0.657 -2.365 -8.624 384 H GLN 54 H GLN 54 4.219 3.228 -7.994 385 HA GLN 54 HA GLN 54 3.016 3.361 -10.703 386 1HB GLN 54 1HB GLN 54 4.788 5.032 -9.513 387 2HB GLN 54 2HB GLN 54 5.917 3.879 -10.264 388 1HG GLN 54 1HG GLN 54 4.985 4.255 -12.446 389 2HG GLN 54 2HG GLN 54 3.607 5.154 -11.773 390 1HE2 GLN 54 1HE2 GLN 54 7.012 5.261 -12.662 391 2HE2 GLN 54 2HE2 GLN 54 7.229 6.986 -12.451 392 H ARG 55 H ARG 55 2.928 1.471 -11.758 393 HA ARG 55 HA ARG 55 4.219 -0.893 -11.038 394 1HB ARG 55 1HB ARG 55 2.318 -0.360 -12.775 395 2HB ARG 55 2HB ARG 55 3.667 -0.244 -13.930 396 1HG ARG 55 1HG ARG 55 4.423 -2.503 -13.298 397 2HG ARG 55 2HG ARG 55 3.110 -2.621 -12.103 398 1HD ARG 55 1HD ARG 55 2.304 -1.889 -14.879 399 2HD ARG 55 2HD ARG 55 2.903 -3.546 -14.651 400 HE ARG 55 HE ARG 55 0.915 -2.705 -12.681 401 1HH1 ARG 55 1HH1 ARG 55 -1.500 -4.829 -14.129 402 2HH1 ARG 55 2HH1 ARG 55 -1.099 -3.836 -12.746 403 1HH2 ARG 55 1HH2 ARG 55 -0.010 -5.009 -15.899 404 2HH2 ARG 55 2HH2 ARG 55 1.515 -4.153 -15.850 405 H ASN 56 H ASN 56 5.134 1.204 -13.837 406 HA ASN 56 HA ASN 56 7.897 0.139 -13.563 407 1HB ASN 56 1HB ASN 56 6.418 1.441 -15.877 408 2HB ASN 56 2HB ASN 56 8.142 1.011 -15.907 409 1HD2 ASN 56 1HD2 ASN 56 8.390 -0.759 -17.157 410 2HD2 ASN 56 2HD2 ASN 56 7.405 -2.204 -17.073 411 H LEU 57 H LEU 57 9.662 1.535 -13.435 412 HA LEU 57 HA LEU 57 9.025 4.183 -12.357 413 1HB LEU 57 1HB LEU 57 10.698 2.838 -11.220 414 2HB LEU 57 2HB LEU 57 11.627 2.650 -12.727 415 HG LEU 57 HG LEU 57 11.997 5.092 -12.811 416 1HD1 LEU 57 1HD1 LEU 57 10.744 6.526 -11.601 417 2HD1 LEU 57 2HD1 LEU 57 9.788 5.131 -11.046 418 3HD1 LEU 57 3HD1 LEU 57 11.176 5.697 -10.086 419 1HD2 LEU 57 1HD2 LEU 57 13.034 5.062 -10.236 420 2HD2 LEU 57 2HD2 LEU 57 12.888 3.330 -10.620 421 3HD2 LEU 57 3HD2 LEU 57 13.839 4.399 -11.679 422 H SER 58 H SER 58 11.235 2.906 -14.917 423 HA SER 58 HA SER 58 11.974 5.291 -16.087 424 1HB SER 58 1HB SER 58 12.291 2.634 -16.668 425 2HB SER 58 2HB SER 58 11.243 3.156 -18.009 426 HG SER 58 HG SER 58 13.005 3.934 -18.820 427 H ASP 59 H ASP 59 8.942 3.447 -16.587 428 HA ASP 59 HA ASP 59 7.937 5.686 -18.263 429 1HB ASP 59 1HB ASP 59 7.819 3.441 -19.253 430 2HB ASP 59 2HB ASP 59 6.910 2.854 -17.844 431 HA PRO 60 HA PRO 60 5.406 7.042 -14.927 432 1HB PRO 60 1HB PRO 60 3.563 8.507 -16.299 433 2HB PRO 60 2HB PRO 60 5.289 8.990 -16.223 434 1HG PRO 60 1HG PRO 60 3.918 7.411 -18.418 435 2HG PRO 60 2HG PRO 60 4.923 8.884 -18.604 436 1HD PRO 60 1HD PRO 60 5.979 6.393 -18.929 437 2HD PRO 60 2HD PRO 60 6.912 7.671 -18.093 438 H ARG 61 H ARG 61 5.007 4.322 -15.835 439 HA ARG 61 HA ARG 61 2.200 3.920 -16.409 440 1HB ARG 61 1HB ARG 61 4.596 2.388 -16.402 441 2HB ARG 61 2HB ARG 61 3.480 1.606 -15.258 442 1HG ARG 61 1HG ARG 61 2.567 2.513 -18.005 443 2HG ARG 61 2HG ARG 61 3.304 0.914 -17.746 444 1HD ARG 61 1HD ARG 61 1.503 0.122 -16.569 445 2HD ARG 61 2HD ARG 61 1.153 1.703 -15.837 446 HE ARG 61 HE ARG 61 -0.374 2.077 -17.516 447 1HH1 ARG 61 1HH1 ARG 61 -0.736 0.523 -20.662 448 2HH1 ARG 61 2HH1 ARG 61 -1.417 1.679 -19.540 449 1HH2 ARG 61 1HH2 ARG 61 1.215 -0.610 -20.119 450 2HH2 ARG 61 2HH2 ARG 61 2.005 -0.309 -18.588 451 H LEU 62 H LEU 62 1.096 5.084 -14.759 452 HA LEU 62 HA LEU 62 1.550 4.266 -11.972 453 1HB LEU 62 1HB LEU 62 1.027 6.661 -12.885 454 2HB LEU 62 2HB LEU 62 -0.657 6.085 -12.943 455 HG LEU 62 HG LEU 62 0.039 7.235 -10.770 456 1HD1 LEU 62 1HD1 LEU 62 -0.690 4.764 -9.598 457 2HD1 LEU 62 2HD1 LEU 62 -1.778 6.081 -10.097 458 3HD1 LEU 62 3HD1 LEU 62 -1.410 4.756 -11.226 459 1HD2 LEU 62 1HD2 LEU 62 1.546 4.618 -10.368 460 2HD2 LEU 62 2HD2 LEU 62 2.324 6.177 -10.729 461 3HD2 LEU 62 3HD2 LEU 62 1.415 5.966 -9.214 462 H GLU 63 H GLU 63 0.146 3.046 -10.742 463 HA GLU 63 HA GLU 63 -2.332 2.086 -12.053 464 1HB GLU 63 1HB GLU 63 -0.140 0.341 -10.870 465 2HB GLU 63 2HB GLU 63 -1.767 -0.238 -11.302 466 1HG GLU 63 1HG GLU 63 0.330 0.953 -13.156 467 2HG GLU 63 2HG GLU 63 -0.302 -0.708 -13.166 468 H THR 64 H THR 64 -4.030 1.860 -10.659 469 HA THR 64 HA THR 64 -3.414 2.346 -7.783 470 HB THR 64 HB THR 64 -5.919 3.109 -7.848 471 HG1 THR 64 1HG THR 64 -6.743 3.233 -9.760 472 1HG2 THR 64 1HG2 THR 64 -4.373 5.098 -9.375 473 2HG2 THR 64 2HG2 THR 64 -5.032 5.194 -7.724 474 3HG2 THR 64 3HG2 THR 64 -3.463 4.404 -8.011 475 H ILE 65 H ILE 65 -4.476 1.101 -6.220 476 HA ILE 65 HA ILE 65 -6.163 -1.125 -7.219 477 HB ILE 65 HB ILE 65 -3.723 -1.821 -6.984 478 1HG1 ILE 65 1HG1 ILE 65 -5.753 -3.130 -5.123 479 2HG1 ILE 65 2HG1 ILE 65 -5.634 -3.411 -6.876 480 1HG2 ILE 65 1HG2 ILE 65 -4.294 -1.663 -4.008 481 2HG2 ILE 65 2HG2 ILE 65 -2.741 -1.955 -4.827 482 3HG2 ILE 65 3HG2 ILE 65 -3.481 -0.337 -4.874 483 1HD1 ILE 65 1HD1 ILE 65 -3.389 -3.912 -4.876 484 2HD1 ILE 65 2HD1 ILE 65 -4.461 -5.169 -5.539 485 3HD1 ILE 65 3HD1 ILE 65 -3.358 -4.280 -6.617 486 H THR 66 H THR 66 -7.959 -1.363 -6.010 487 HA THR 66 HA THR 66 -8.033 0.082 -3.413 488 HB THR 66 HB THR 66 -10.217 -0.843 -5.318 489 HG1 THR 66 1HG THR 66 -9.348 1.720 -4.452 490 1HG2 THR 66 1HG2 THR 66 -11.820 -0.180 -3.763 491 2HG2 THR 66 2HG2 THR 66 -10.586 -0.878 -2.687 492 3HG2 THR 66 3HG2 THR 66 -10.689 0.887 -2.896 493 H LEU 67 H LEU 67 -7.943 -1.082 -1.595 494 HA LEU 67 HA LEU 67 -8.396 -4.000 -1.778 495 1HB LEU 67 1HB LEU 67 -7.321 -2.369 0.550 496 2HB LEU 67 2HB LEU 67 -7.195 -4.127 0.301 497 HG LEU 67 HG LEU 67 -6.145 -2.431 -1.911 498 1HD1 LEU 67 1HD1 LEU 67 -4.412 -1.437 -0.800 499 2HD1 LEU 67 2HD1 LEU 67 -5.508 -1.552 0.598 500 3HD1 LEU 67 3HD1 LEU 67 -4.246 -2.784 0.352 501 1HD2 LEU 67 1HD2 LEU 67 -4.418 -4.454 -0.668 502 2HD2 LEU 67 2HD2 LEU 67 -6.024 -5.099 -1.086 503 3HD2 LEU 67 3HD2 LEU 67 -5.014 -4.344 -2.342 504 H GLN 68 H GLN 68 -10.213 -4.926 -1.034 505 HA GLN 68 HA GLN 68 -12.236 -3.226 0.221 506 1HB GLN 68 1HB GLN 68 -12.248 -6.175 -0.537 507 2HB GLN 68 2HB GLN 68 -13.663 -5.222 -0.026 508 1HG GLN 68 1HG GLN 68 -11.980 -4.892 -2.532 509 2HG GLN 68 2HG GLN 68 -13.718 -5.246 -2.416 510 1HE2 GLN 68 1HE2 GLN 68 -15.083 -3.537 -1.307 511 2HE2 GLN 68 2HE2 GLN 68 -14.673 -1.862 -1.610 512 H LYS 69 H LYS 69 -13.567 -4.623 2.008 513 HA LYS 69 HA LYS 69 -12.032 -4.497 4.357 514 1HB LYS 69 1HB LYS 69 -14.481 -6.242 3.932 515 2HB LYS 69 2HB LYS 69 -13.937 -5.468 5.440 516 1HG LYS 69 1HG LYS 69 -14.976 -3.534 4.908 517 2HG LYS 69 2HG LYS 69 -14.229 -3.511 3.293 518 1HD LYS 69 1HD LYS 69 -16.611 -5.263 4.016 519 2HD LYS 69 2HD LYS 69 -16.766 -3.645 3.290 520 1HE LYS 69 1HE LYS 69 -15.631 -4.318 1.302 521 2HE LYS 69 2HE LYS 69 -15.044 -5.817 2.054 522 1HZ LYS 69 1HZ LYS 69 -17.271 -6.610 2.121 523 2HZ LYS 69 2HZ LYS 69 -17.860 -5.199 1.504 524 3HZ LYS 69 3HZ LYS 69 -16.902 -6.168 0.575 525 H TRP 70 H TRP 70 -10.575 -5.823 5.276 526 HA TRP 70 HA TRP 70 -9.260 -7.662 5.631 527 1HB TRP 70 1HB TRP 70 -11.662 -9.227 4.647 528 2HB TRP 70 2HB TRP 70 -10.339 -9.827 5.657 529 HD1 TRP 70 HD TRP 70 -13.753 -8.595 5.890 530 HE1 TRP 70 1HE TRP 70 -14.410 -7.985 8.274 531 HE3 TRP 70 3HE TRP 70 -9.099 -8.533 8.019 532 HZ2 TRP 70 2HZ TRP 70 -13.085 -7.523 10.806 533 HZ3 TRP 70 3HZ TRP 70 -8.837 -8.005 10.415 534 HH2 TRP 70 HH TRP 70 -10.814 -7.499 11.819 535 H GLY 71 H GLY 71 -9.349 -6.313 2.971 536 1HA GLY 71 1HA GLY 71 -8.857 -8.511 1.077 537 2HA GLY 71 2HA GLY 71 -8.853 -6.768 0.724 538 H SER 72 H SER 72 -6.841 -8.734 -0.073 539 HA SER 72 HA SER 72 -4.505 -7.437 1.212 540 1HB SER 72 1HB SER 72 -4.157 -10.299 0.540 541 2HB SER 72 2HB SER 72 -3.581 -9.375 1.949 542 HG SER 72 HG SER 72 -5.565 -9.584 2.888 543 H TRP 73 H TRP 73 -2.535 -7.613 -0.122 544 HA TRP 73 HA TRP 73 -3.218 -7.988 -3.001 545 1HB TRP 73 1HB TRP 73 -2.888 -5.608 -2.192 546 2HB TRP 73 2HB TRP 73 -1.210 -6.041 -1.838 547 HD1 TRP 73 HD TRP 73 -2.791 -7.441 -4.978 548 HE1 TRP 73 1HE TRP 73 -1.757 -6.374 -7.046 549 HE3 TRP 73 3HE TRP 73 -0.051 -3.765 -2.704 550 HZ2 TRP 73 2HZ TRP 73 0.043 -4.190 -7.652 551 HZ3 TRP 73 3HZ TRP 73 1.309 -2.213 -4.057 552 HH2 TRP 73 HH TRP 73 1.367 -2.411 -6.525 553 H ASN 74 H ASN 74 -1.861 -9.241 -4.201 554 HA ASN 74 HA ASN 74 0.744 -10.003 -3.016 555 1HB ASN 74 1HB ASN 74 0.247 -12.391 -3.635 556 2HB ASN 74 2HB ASN 74 -0.726 -11.766 -2.286 557 1HD2 ASN 74 1HD2 ASN 74 -2.103 -13.684 -2.959 558 2HD2 ASN 74 2HD2 ASN 74 -3.314 -13.405 -4.192 559 HA PRO 75 HA PRO 75 0.843 -8.996 -7.554 560 1HB PRO 75 1HB PRO 75 2.792 -7.095 -7.441 561 2HB PRO 75 2HB PRO 75 1.086 -6.726 -7.026 562 1HG PRO 75 1HG PRO 75 3.328 -7.441 -5.115 563 2HG PRO 75 2HG PRO 75 2.230 -6.026 -5.023 564 1HD PRO 75 1HD PRO 75 1.731 -8.306 -3.616 565 2HD PRO 75 2HD PRO 75 0.392 -7.410 -4.395 566 H GLY 76 H GLY 76 4.025 -8.276 -6.161 567 1HA GLY 76 1HA GLY 76 5.357 -10.600 -5.940 568 2HA GLY 76 2HA GLY 76 5.174 -10.491 -7.706 569 H HIS 77 H HIS 77 6.094 -8.390 -4.914 570 HA HIS 77 HA HIS 77 7.845 -6.939 -4.650 571 1HB HIS 77 1HB HIS 77 9.416 -8.591 -5.177 572 2HB HIS 77 2HB HIS 77 8.871 -8.713 -6.860 573 HD1 HIS 77 1HD HIS 77 9.525 -5.205 -5.602 574 HD2 HIS 77 2HD HIS 77 11.498 -8.345 -7.615 575 HE1 HIS 77 1HE HIS 77 11.644 -4.192 -6.645 576 HE2 HIS 77 2HE HIS 77 12.833 -6.108 -7.865 577 H ILE 78 H ILE 78 6.666 -5.071 -5.098 578 HA ILE 78 HA ILE 78 6.424 -4.204 -7.900 579 HB ILE 78 HB ILE 78 5.522 -2.906 -5.298 580 1HG1 ILE 78 1HG1 ILE 78 4.585 -5.246 -6.275 581 2HG1 ILE 78 2HG1 ILE 78 3.529 -4.041 -5.498 582 1HG2 ILE 78 1HG2 ILE 78 5.174 -2.268 -8.236 583 2HG2 ILE 78 2HG2 ILE 78 3.939 -1.779 -7.051 584 3HG2 ILE 78 3HG2 ILE 78 5.607 -1.178 -6.897 585 1HD1 ILE 78 1HD1 ILE 78 4.051 -3.631 -8.404 586 2HD1 ILE 78 2HD1 ILE 78 3.072 -5.057 -7.985 587 3HD1 ILE 78 3HD1 ILE 78 2.545 -3.435 -7.476 588 H HIS 79 H HIS 79 7.263 -2.176 -8.650 589 HA HIS 79 HA HIS 79 9.946 -1.704 -8.102 590 1HB HIS 79 1HB HIS 79 9.108 -0.789 -10.081 591 2HB HIS 79 2HB HIS 79 7.721 -0.042 -9.267 592 HD1 HIS 79 1HD HIS 79 11.502 0.423 -8.479 593 HD2 HIS 79 2HD HIS 79 8.026 2.516 -9.637 594 HE1 HIS 79 1HE HIS 79 12.125 2.916 -8.520 595 HE2 HIS 79 2HE HIS 79 10.006 4.177 -9.224 596 H GLU 80 H GLU 80 7.468 0.764 -7.268 597 HA GLU 80 HA GLU 80 8.312 0.841 -4.488 598 1HB GLU 80 1HB GLU 80 10.167 2.043 -5.674 599 2HB GLU 80 2HB GLU 80 8.967 3.208 -6.283 600 1HG GLU 80 1HG GLU 80 8.333 3.229 -3.644 601 2HG GLU 80 2HG GLU 80 10.065 2.850 -3.531 602 H ILE 81 H ILE 81 6.901 2.085 -3.203 603 HA ILE 81 HA ILE 81 4.305 2.561 -4.446 604 HB ILE 81 HB ILE 81 5.372 2.785 -1.609 605 1HG1 ILE 81 1HG1 ILE 81 5.037 0.511 -2.711 606 2HG1 ILE 81 2HG1 ILE 81 4.086 0.784 -1.231 607 1HG2 ILE 81 1HG2 ILE 81 3.590 4.457 -1.977 608 2HG2 ILE 81 2HG2 ILE 81 2.543 3.196 -2.671 609 3HG2 ILE 81 3HG2 ILE 81 3.004 3.125 -0.953 610 1HD1 ILE 81 1HD1 ILE 81 2.141 0.569 -2.357 611 2HD1 ILE 81 2HD1 ILE 81 2.660 1.745 -3.588 612 3HD1 ILE 81 3HD1 ILE 81 3.095 0.027 -3.758 613 H LEU 82 H LEU 82 3.354 4.513 -4.871 614 HA LEU 82 HA LEU 82 5.138 6.849 -4.829 615 1HB LEU 82 1HB LEU 82 2.321 6.485 -5.925 616 2HB LEU 82 2HB LEU 82 3.389 7.880 -6.210 617 HG LEU 82 HG LEU 82 3.470 5.142 -7.381 618 1HD1 LEU 82 1HD1 LEU 82 4.331 6.377 -9.292 619 2HD1 LEU 82 2HD1 LEU 82 2.954 7.279 -8.615 620 3HD1 LEU 82 3HD1 LEU 82 4.618 7.816 -8.284 621 1HD2 LEU 82 1HD2 LEU 82 5.484 4.958 -6.078 622 2HD2 LEU 82 2HD2 LEU 82 5.985 5.404 -7.727 623 3HD2 LEU 82 3HD2 LEU 82 5.948 6.637 -6.445 624 H SER 83 H SER 83 1.675 6.290 -3.957 625 HA SER 83 HA SER 83 2.131 7.759 -1.438 626 1HB SER 83 1HB SER 83 1.428 9.336 -3.384 627 2HB SER 83 2HB SER 83 -0.163 8.550 -3.244 628 HG SER 83 HG SER 83 0.407 10.523 -1.894 629 H ILE 84 H ILE 84 0.040 7.711 -0.094 630 HA ILE 84 HA ILE 84 -1.508 5.239 -0.681 631 HB ILE 84 HB ILE 84 -0.032 6.014 1.849 632 1HG1 ILE 84 1HG1 ILE 84 -0.262 3.415 0.273 633 2HG1 ILE 84 2HG1 ILE 84 1.081 4.574 0.133 634 1HG2 ILE 84 1HG2 ILE 84 -1.888 5.354 2.984 635 2HG2 ILE 84 2HG2 ILE 84 -2.639 4.659 1.528 636 3HG2 ILE 84 3HG2 ILE 84 -1.446 3.714 2.451 637 1HD1 ILE 84 1HD1 ILE 84 1.856 2.953 1.688 638 2HD1 ILE 84 2HD1 ILE 84 1.323 4.318 2.698 639 3HD1 ILE 84 3HD1 ILE 84 0.286 2.882 2.523 640 H ARG 85 H ARG 85 -3.663 5.505 -0.482 641 HA ARG 85 HA ARG 85 -4.604 7.924 0.988 642 1HB ARG 85 1HB ARG 85 -4.928 8.401 -1.319 643 2HB ARG 85 2HB ARG 85 -5.480 6.744 -1.665 644 1HG ARG 85 1HG ARG 85 -7.606 7.197 -1.006 645 2HG ARG 85 2HG ARG 85 -7.061 8.103 0.425 646 1HD ARG 85 1HD ARG 85 -7.634 9.995 -0.652 647 2HD ARG 85 2HD ARG 85 -6.297 9.682 -1.779 648 HE ARG 85 HE ARG 85 -8.519 8.143 -2.616 649 1HH1 ARG 85 1HH1 ARG 85 -9.848 10.593 -4.778 650 2HH1 ARG 85 2HH1 ARG 85 -9.842 8.895 -4.355 651 1HH2 ARG 85 1HH2 ARG 85 -8.528 12.089 -3.593 652 2HH2 ARG 85 2HH2 ARG 85 -7.527 11.520 -2.276 653 H ILE 86 H ILE 86 -6.069 7.552 2.556 654 HA ILE 86 HA ILE 86 -7.284 4.830 2.650 655 HB ILE 86 HB ILE 86 -6.888 6.676 5.018 656 1HG1 ILE 86 1HG1 ILE 86 -4.869 5.210 3.446 657 2HG1 ILE 86 2HG1 ILE 86 -4.651 6.451 4.704 658 1HG2 ILE 86 1HG2 ILE 86 -8.421 4.719 5.202 659 2HG2 ILE 86 2HG2 ILE 86 -7.086 3.649 4.712 660 3HG2 ILE 86 3HG2 ILE 86 -6.989 4.547 6.246 661 1HD1 ILE 86 1HD1 ILE 86 -5.330 3.525 5.225 662 2HD1 ILE 86 2HD1 ILE 86 -3.712 4.246 5.390 663 3HD1 ILE 86 3HD1 ILE 86 -5.034 4.772 6.459 664 H TYR 87 H TYR 87 -9.474 4.665 2.741 665 HA TYR 87 HA TYR 87 -11.001 7.143 2.387 666 1HB TYR 87 1HB TYR 87 -11.660 4.189 2.273 667 2HB TYR 87 2HB TYR 87 -12.897 5.450 2.136 668 HD1 TYR 87 1HD TYR 87 -13.580 5.882 -0.023 669 HD2 TYR 87 2HD TYR 87 -9.478 4.820 0.685 670 HE1 TYR 87 1HE TYR 87 -13.109 6.080 -2.450 671 HE2 TYR 87 2HE TYR 87 -9.008 5.018 -1.742 672 HH TYR 87 HH TYR 87 -9.919 6.075 -3.773 Start of MODEL 17 1 H MET 1 H MET 1 -4.875 13.132 9.586 2 HA MET 1 HA MET 1 -2.756 12.684 8.113 3 1HB MET 1 1HB MET 1 -1.318 12.729 10.301 4 2HB MET 1 2HB MET 1 -2.384 14.107 9.934 5 1HG MET 1 1HG MET 1 -3.966 13.485 11.524 6 2HG MET 1 2HG MET 1 -3.459 11.787 11.517 7 1HE MET 1 1HE MET 1 -3.190 14.873 14.199 8 2HE MET 1 2HE MET 1 -4.358 13.674 13.594 9 3HE MET 1 3HE MET 1 -3.359 13.302 15.019 10 H ILE 2 H ILE 2 -1.935 10.926 7.157 11 HA ILE 2 HA ILE 2 -2.187 8.300 8.382 12 HB ILE 2 HB ILE 2 -2.446 8.557 5.972 13 1HG1 ILE 2 1HG1 ILE 2 0.177 7.179 6.697 14 2HG1 ILE 2 2HG1 ILE 2 -1.446 6.456 6.810 15 1HG2 ILE 2 1HG2 ILE 2 -1.153 10.476 5.444 16 2HG2 ILE 2 2HG2 ILE 2 0.307 9.808 6.213 17 3HG2 ILE 2 3HG2 ILE 2 -0.276 9.133 4.673 18 1HD1 ILE 2 1HD1 ILE 2 -0.807 5.690 4.713 19 2HD1 ILE 2 2HD1 ILE 2 -1.584 7.226 4.259 20 3HD1 ILE 2 3HD1 ILE 2 0.190 7.125 4.376 21 H ASN 3 H ASN 3 -0.638 7.130 9.428 22 HA ASN 3 HA ASN 3 2.130 8.185 9.444 23 1HB ASN 3 1HB ASN 3 0.209 8.144 11.694 24 2HB ASN 3 2HB ASN 3 1.790 7.420 12.057 25 1HD2 ASN 3 1HD2 ASN 3 0.520 9.986 12.991 26 2HD2 ASN 3 2HD2 ASN 3 1.668 11.241 12.576 27 H ARG 4 H ARG 4 3.712 6.599 10.086 28 HA ARG 4 HA ARG 4 3.001 3.938 9.200 29 1HB ARG 4 1HB ARG 4 5.357 5.508 9.511 30 2HB ARG 4 2HB ARG 4 5.562 4.052 10.514 31 1HG ARG 4 1HG ARG 4 5.244 2.596 8.671 32 2HG ARG 4 2HG ARG 4 4.515 3.878 7.673 33 1HD ARG 4 1HD ARG 4 6.564 4.208 6.791 34 2HD ARG 4 2HD ARG 4 7.035 4.889 8.363 35 HE ARG 4 HE ARG 4 7.233 2.034 8.435 36 1HH1 ARG 4 1HH1 ARG 4 10.688 2.012 7.724 37 2HH1 ARG 4 2HH1 ARG 4 9.337 1.083 8.333 38 1HH2 ARG 4 1HH2 ARG 4 10.369 4.200 7.018 39 2HH2 ARG 4 2HH2 ARG 4 8.776 4.920 7.095 40 H THR 5 H THR 5 1.867 2.588 10.473 41 HA THR 5 HA THR 5 2.525 2.586 13.382 42 HB THR 5 HB THR 5 0.200 3.305 12.765 43 HG1 THR 5 1HG THR 5 0.143 2.436 14.696 44 1HG2 THR 5 1HG2 THR 5 -1.068 0.906 12.177 45 2HG2 THR 5 2HG2 THR 5 -0.695 2.189 11.001 46 3HG2 THR 5 3HG2 THR 5 0.417 0.814 11.199 47 H ASP 6 H ASP 6 2.616 0.532 14.446 48 HA ASP 6 HA ASP 6 3.594 -1.588 12.651 49 1HB ASP 6 1HB ASP 6 4.380 -0.621 15.138 50 2HB ASP 6 2HB ASP 6 3.545 -2.139 15.532 51 H CYS 7 H CYS 7 0.743 -0.939 12.632 52 HA CYS 7 HA CYS 7 -1.314 -1.937 12.865 53 1HB CYS 7 1HB CYS 7 -0.857 -4.632 12.745 54 2HB CYS 7 2HB CYS 7 -0.946 -3.551 11.345 55 H ASN 8 H ASN 8 -1.681 -1.262 15.050 56 HA ASN 8 HA ASN 8 -0.896 -3.080 17.207 57 1HB ASN 8 1HB ASN 8 -2.591 -0.555 17.167 58 2HB ASN 8 2HB ASN 8 -2.065 -1.418 18.629 59 1HD2 ASN 8 1HD2 ASN 8 -0.932 0.377 15.752 60 2HD2 ASN 8 2HD2 ASN 8 0.607 0.861 16.432 61 H GLU 9 H GLU 9 -3.281 -3.077 14.863 62 HA GLU 9 HA GLU 9 -4.883 -4.973 16.425 63 1HB GLU 9 1HB GLU 9 -5.738 -2.479 16.670 64 2HB GLU 9 2HB GLU 9 -6.392 -2.770 15.040 65 1HG GLU 9 1HG GLU 9 -8.161 -3.652 16.174 66 2HG GLU 9 2HG GLU 9 -7.117 -5.085 16.300 67 H ASN 10 H ASN 10 -5.907 -6.487 15.131 68 HA ASN 10 HA ASN 10 -4.960 -6.622 12.387 69 1HB ASN 10 1HB ASN 10 -6.405 -8.369 14.323 70 2HB ASN 10 2HB ASN 10 -6.704 -8.673 12.599 71 1HD2 ASN 10 1HD2 ASN 10 -4.999 -9.909 14.995 72 2HD2 ASN 10 2HD2 ASN 10 -3.491 -10.309 14.201 73 H SER 11 H SER 11 -6.012 -4.562 11.712 74 HA SER 11 HA SER 11 -8.320 -5.064 10.168 75 1HB SER 11 1HB SER 11 -10.101 -4.187 11.364 76 2HB SER 11 2HB SER 11 -9.183 -4.964 12.676 77 HG SER 11 HG SER 11 -8.374 -3.017 13.268 78 H TYR 12 H TYR 12 -5.910 -3.998 9.535 79 HA TYR 12 HA TYR 12 -6.670 -1.253 8.789 80 1HB TYR 12 1HB TYR 12 -4.310 -2.008 10.508 81 2HB TYR 12 2HB TYR 12 -4.231 -0.601 9.434 82 HD1 TYR 12 1HD TYR 12 -6.904 0.558 9.624 83 HD2 TYR 12 2HD TYR 12 -4.457 -1.201 12.685 84 HE1 TYR 12 1HE TYR 12 -8.060 1.929 11.336 85 HE2 TYR 12 2HE TYR 12 -5.613 0.170 14.397 86 HH TYR 12 HH TYR 12 -7.281 2.815 13.904 87 H LEU 13 H LEU 13 -4.578 -0.378 7.439 88 HA LEU 13 HA LEU 13 -4.236 -2.428 5.347 89 1HB LEU 13 1HB LEU 13 -4.940 -0.393 4.423 90 2HB LEU 13 2HB LEU 13 -3.922 0.571 5.520 91 HG LEU 13 HG LEU 13 -2.006 -0.904 4.269 92 1HD1 LEU 13 1HD1 LEU 13 -2.694 -1.800 2.318 93 2HD1 LEU 13 2HD1 LEU 13 -4.365 -1.373 2.755 94 3HD1 LEU 13 3HD1 LEU 13 -3.378 -0.239 1.803 95 1HD2 LEU 13 1HD2 LEU 13 -2.324 1.241 2.530 96 2HD2 LEU 13 2HD2 LEU 13 -3.183 1.784 3.991 97 3HD2 LEU 13 3HD2 LEU 13 -1.475 1.295 4.093 98 H GLU 14 H GLU 14 -2.302 -3.345 4.801 99 HA GLU 14 HA GLU 14 0.152 -2.283 6.067 100 1HB GLU 14 1HB GLU 14 -0.566 -5.229 6.185 101 2HB GLU 14 2HB GLU 14 0.763 -4.384 7.014 102 1HG GLU 14 1HG GLU 14 -0.734 -4.434 8.757 103 2HG GLU 14 2HG GLU 14 -1.301 -2.944 7.973 104 H ILE 15 H ILE 15 2.034 -2.706 4.895 105 HA ILE 15 HA ILE 15 1.702 -4.262 2.386 106 HB ILE 15 HB ILE 15 3.057 -1.546 2.565 107 1HG1 ILE 15 1HG1 ILE 15 0.424 -2.147 1.187 108 2HG1 ILE 15 2HG1 ILE 15 0.478 -1.638 2.892 109 1HG2 ILE 15 1HG2 ILE 15 3.095 -3.695 0.665 110 2HG2 ILE 15 2HG2 ILE 15 2.187 -2.344 -0.055 111 3HG2 ILE 15 3HG2 ILE 15 3.850 -2.088 0.527 112 1HD1 ILE 15 1HD1 ILE 15 0.542 0.037 0.624 113 2HD1 ILE 15 2HD1 ILE 15 0.861 0.509 2.311 114 3HD1 ILE 15 3HD1 ILE 15 2.209 0.037 1.248 115 H HIS 16 H HIS 16 3.222 -5.798 2.308 116 HA HIS 16 HA HIS 16 5.799 -5.261 3.711 117 1HB HIS 16 1HB HIS 16 5.927 -7.701 4.041 118 2HB HIS 16 2HB HIS 16 4.491 -7.003 4.811 119 HD1 HIS 16 1HD HIS 16 5.486 -9.574 2.252 120 HD2 HIS 16 2HD HIS 16 2.077 -7.410 3.477 121 HE1 HIS 16 1HE HIS 16 3.451 -10.770 1.234 122 HE2 HIS 16 2HE HIS 16 1.388 -9.446 1.984 123 H ASN 17 H ASN 17 7.133 -4.584 2.090 124 HA ASN 17 HA ASN 17 7.113 -6.133 -0.443 125 1HB ASN 17 1HB ASN 17 8.478 -4.223 -1.288 126 2HB ASN 17 2HB ASN 17 6.874 -3.730 -0.703 127 1HD2 ASN 17 1HD2 ASN 17 6.678 -2.465 1.174 128 2HD2 ASN 17 2HD2 ASN 17 8.058 -1.713 1.945 129 H ASN 18 H ASN 18 9.640 -5.795 -1.363 130 HA ASN 18 HA ASN 18 11.731 -6.718 -1.253 131 1HB ASN 18 1HB ASN 18 11.297 -5.493 1.434 132 2HB ASN 18 2HB ASN 18 12.659 -6.623 1.277 133 1HD2 ASN 18 1HD2 ASN 18 12.351 -3.539 1.531 134 2HD2 ASN 18 2HD2 ASN 18 13.388 -2.922 0.263 135 H GLU 19 H GLU 19 9.239 -8.349 -0.725 136 HA GLU 19 HA GLU 19 8.800 -10.564 -0.335 137 1HB GLU 19 1HB GLU 19 11.821 -10.635 -0.029 138 2HB GLU 19 2HB GLU 19 10.795 -12.086 0.067 139 1HG GLU 19 1HG GLU 19 9.900 -11.603 -2.186 140 2HG GLU 19 2HG GLU 19 10.916 -10.148 -2.281 141 H GLY 20 H GLY 20 7.895 -9.181 1.623 142 1HA GLY 20 1HA GLY 20 7.435 -9.105 3.872 143 2HA GLY 20 2HA GLY 20 8.006 -10.789 3.915 144 H ARG 21 H ARG 21 9.833 -7.813 3.090 145 HA ARG 21 HA ARG 21 11.792 -8.548 5.185 146 1HB ARG 21 1HB ARG 21 12.371 -8.073 2.702 147 2HB ARG 21 2HB ARG 21 12.090 -6.364 3.111 148 1HG ARG 21 1HG ARG 21 13.704 -7.576 5.175 149 2HG ARG 21 2HG ARG 21 14.437 -7.915 3.589 150 1HD ARG 21 1HD ARG 21 14.438 -5.558 3.019 151 2HD ARG 21 2HD ARG 21 13.512 -5.157 4.481 152 HE ARG 21 HE ARG 21 15.825 -6.452 5.369 153 1HH1 ARG 21 1HH1 ARG 21 17.931 -3.623 5.463 154 2HH1 ARG 21 2HH1 ARG 21 17.685 -5.256 6.041 155 1HH2 ARG 21 1HH2 ARG 21 16.391 -2.659 4.019 156 2HH2 ARG 21 2HH2 ARG 21 14.984 -3.565 3.510 157 H ASP 22 H ASP 22 9.965 -5.696 3.946 158 HA ASP 22 HA ASP 22 10.052 -4.609 6.716 159 1HB ASP 22 1HB ASP 22 10.560 -3.169 4.091 160 2HB ASP 22 2HB ASP 22 10.209 -2.332 5.618 161 H THR 23 H THR 23 8.028 -4.481 7.478 162 HA THR 23 HA THR 23 5.819 -4.205 5.514 163 HB THR 23 HB THR 23 5.759 -4.991 8.454 164 HG1 THR 23 1HG THR 23 6.751 -6.606 7.360 165 1HG2 THR 23 1HG2 THR 23 3.732 -4.305 6.474 166 2HG2 THR 23 2HG2 THR 23 3.537 -5.986 7.026 167 3HG2 THR 23 3HG2 THR 23 3.539 -4.656 8.209 168 H LEU 24 H LEU 24 4.183 -2.632 5.809 169 HA LEU 24 HA LEU 24 4.797 -0.505 7.790 170 1HB LEU 24 1HB LEU 24 3.926 0.162 4.976 171 2HB LEU 24 2HB LEU 24 4.723 1.199 6.183 172 HG LEU 24 HG LEU 24 6.419 -1.064 5.713 173 1HD1 LEU 24 1HD1 LEU 24 5.494 -1.503 3.582 174 2HD1 LEU 24 2HD1 LEU 24 5.217 0.223 3.248 175 3HD1 LEU 24 3HD1 LEU 24 6.871 -0.433 3.226 176 1HD2 LEU 24 1HD2 LEU 24 7.705 1.006 4.541 177 2HD2 LEU 24 2HD2 LEU 24 6.451 1.913 5.422 178 3HD2 LEU 24 3HD2 LEU 24 7.563 0.842 6.308 179 H CYS 25 H CYS 25 3.064 -0.530 9.101 180 HA CYS 25 HA CYS 25 0.407 -1.104 7.928 181 1HB CYS 25 1HB CYS 25 0.996 -0.690 10.852 182 2HB CYS 25 2HB CYS 25 -0.278 -1.658 10.093 183 H PHE 26 H PHE 26 -0.921 0.529 7.416 184 HA PHE 26 HA PHE 26 -0.392 3.176 8.673 185 1HB PHE 26 1HB PHE 26 -1.718 2.413 6.050 186 2HB PHE 26 2HB PHE 26 -1.610 4.064 6.683 187 HD1 PHE 26 1HD PHE 26 0.188 1.316 5.064 188 HD2 PHE 26 2HD PHE 26 0.570 5.219 6.817 189 HE1 PHE 26 1HE PHE 26 2.413 1.576 4.000 190 HE2 PHE 26 2HE PHE 26 2.795 5.479 5.753 191 HZ PHE 26 HZ PHE 26 3.717 3.658 4.344 192 H ALA 27 H ALA 27 -2.229 4.476 9.285 193 HA ALA 27 HA ALA 27 -4.793 3.020 9.535 194 1HB ALA 27 1HB ALA 27 -4.395 2.594 11.709 195 2HB ALA 27 2HB ALA 27 -2.910 3.576 11.699 196 3HB ALA 27 3HB ALA 27 -4.488 4.351 11.981 197 H ASN 28 H ASN 28 -6.453 4.644 10.598 198 HA ASN 28 HA ASN 28 -7.591 6.623 10.420 199 1HB ASN 28 1HB ASN 28 -4.731 7.570 10.240 200 2HB ASN 28 2HB ASN 28 -6.073 8.710 10.001 201 1HD2 ASN 28 1HD2 ASN 28 -5.790 9.906 11.888 202 2HD2 ASN 28 2HD2 ASN 28 -6.037 9.237 13.486 203 H ALA 29 H ALA 29 -8.651 7.797 8.812 204 HA ALA 29 HA ALA 29 -8.379 6.814 6.154 205 1HB ALA 29 1HB ALA 29 -9.749 9.378 7.037 206 2HB ALA 29 2HB ALA 29 -10.130 8.370 5.620 207 3HB ALA 29 3HB ALA 29 -10.457 7.761 7.260 208 H GLY 30 H GLY 30 -6.371 8.872 7.851 209 1HA GLY 30 1HA GLY 30 -5.797 11.051 6.269 210 2HA GLY 30 2HA GLY 30 -4.559 10.103 7.125 211 H THR 31 H THR 31 -4.187 11.441 4.590 212 HA THR 31 HA THR 31 -3.478 9.064 2.972 213 HB THR 31 HB THR 31 -5.044 11.489 2.020 214 HG1 THR 31 1HG THR 31 -6.506 10.029 2.448 215 1HG2 THR 31 1HG2 THR 31 -4.310 11.153 -0.103 216 2HG2 THR 31 2HG2 THR 31 -2.951 10.287 0.652 217 3HG2 THR 31 3HG2 THR 31 -4.368 9.382 0.066 218 H MET 32 H MET 32 -1.352 9.148 2.587 219 HA MET 32 HA MET 32 -0.132 11.777 1.988 220 1HB MET 32 1HB MET 32 1.685 11.403 3.544 221 2HB MET 32 2HB MET 32 0.151 11.283 4.439 222 1HG MET 32 1HG MET 32 0.436 9.085 4.883 223 2HG MET 32 2HG MET 32 1.041 8.738 3.254 224 1HE MET 32 1HE MET 32 3.438 6.976 5.272 225 2HE MET 32 2HE MET 32 2.742 7.799 6.689 226 3HE MET 32 3HE MET 32 1.678 7.220 5.385 227 HA PRO 33 HA PRO 33 1.989 9.485 -1.094 228 1HB PRO 33 1HB PRO 33 4.288 10.916 -1.399 229 2HB PRO 33 2HB PRO 33 2.682 11.611 -1.793 230 1HG PRO 33 1HG PRO 33 4.235 11.923 0.792 231 2HG PRO 33 2HG PRO 33 3.533 13.227 -0.219 232 1HD PRO 33 1HD PRO 33 2.200 12.229 1.939 233 2HD PRO 33 2HD PRO 33 1.318 12.633 0.435 234 H VAL 34 H VAL 34 3.127 7.612 -1.060 235 HA VAL 34 HA VAL 34 5.287 7.330 0.964 236 HB VAL 34 HB VAL 34 4.466 5.225 1.678 237 1HG1 VAL 34 1HG1 VAL 34 1.784 6.493 1.322 238 2HG1 VAL 34 2HG1 VAL 34 2.583 5.911 2.802 239 3HG1 VAL 34 3HG1 VAL 34 3.033 7.487 2.109 240 1HG2 VAL 34 1HG2 VAL 34 2.340 5.371 -0.496 241 2HG2 VAL 34 2HG2 VAL 34 3.878 4.495 -0.685 242 3HG2 VAL 34 3HG2 VAL 34 2.714 3.991 0.564 243 H ALA 35 H ALA 35 6.809 5.569 0.436 244 HA ALA 35 HA ALA 35 6.828 4.935 -2.474 245 1HB ALA 35 1HB ALA 35 8.469 6.579 -2.411 246 2HB ALA 35 2HB ALA 35 8.939 6.194 -0.738 247 3HB ALA 35 3HB ALA 35 9.435 5.123 -2.070 248 H ILE 36 H ILE 36 6.537 2.787 -2.602 249 HA ILE 36 HA ILE 36 8.176 1.082 -0.797 250 HB ILE 36 HB ILE 36 5.221 0.892 -1.441 251 1HG1 ILE 36 1HG1 ILE 36 6.161 0.218 1.244 252 2HG1 ILE 36 2HG1 ILE 36 6.708 1.838 0.749 253 1HG2 ILE 36 1HG2 ILE 36 5.514 -1.367 -0.144 254 2HG2 ILE 36 2HG2 ILE 36 5.890 -1.320 -1.883 255 3HG2 ILE 36 3HG2 ILE 36 7.207 -1.262 -0.686 256 1HD1 ILE 36 1HD1 ILE 36 4.213 2.088 -0.101 257 2HD1 ILE 36 2HD1 ILE 36 3.901 0.779 1.064 258 3HD1 ILE 36 3HD1 ILE 36 4.596 2.320 1.621 259 H TYR 37 H TYR 37 9.618 0.102 -2.091 260 HA TYR 37 HA TYR 37 8.770 -0.605 -4.847 261 1HB TYR 37 1HB TYR 37 11.537 -0.575 -3.602 262 2HB TYR 37 2HB TYR 37 11.145 -0.779 -5.318 263 HD1 TYR 37 1HD TYR 37 10.946 1.640 -2.478 264 HD2 TYR 37 2HD TYR 37 10.904 1.085 -6.737 265 HE1 TYR 37 1HE TYR 37 11.072 4.095 -2.799 266 HE2 TYR 37 2HE TYR 37 11.030 3.541 -7.058 267 HH TYR 37 HH TYR 37 12.001 5.685 -4.943 268 H GLY 38 H GLY 38 8.581 -2.697 -5.494 269 1HA GLY 38 1HA GLY 38 8.833 -5.005 -5.438 270 2HA GLY 38 2HA GLY 38 9.844 -4.851 -3.984 271 H VAL 39 H VAL 39 6.431 -4.298 -5.030 272 HA VAL 39 HA VAL 39 5.462 -4.815 -2.327 273 HB VAL 39 HB VAL 39 3.917 -4.502 -4.929 274 1HG1 VAL 39 1HG1 VAL 39 2.108 -4.788 -3.618 275 2HG1 VAL 39 2HG1 VAL 39 3.173 -5.109 -2.228 276 3HG1 VAL 39 3HG1 VAL 39 2.642 -3.446 -2.578 277 1HG2 VAL 39 1HG2 VAL 39 4.277 -2.266 -4.851 278 2HG2 VAL 39 2HG2 VAL 39 4.034 -2.212 -3.089 279 3HG2 VAL 39 3HG2 VAL 39 5.629 -2.638 -3.754 280 H ASN 40 H ASN 40 5.066 -6.783 -1.518 281 HA ASN 40 HA ASN 40 4.840 -9.045 -3.428 282 1HB ASN 40 1HB ASN 40 5.200 -9.212 -0.427 283 2HB ASN 40 2HB ASN 40 5.578 -10.436 -1.659 284 1HD2 ASN 40 1HD2 ASN 40 7.230 -9.678 -3.376 285 2HD2 ASN 40 2HD2 ASN 40 8.614 -8.794 -2.771 286 H TRP 41 H TRP 41 3.311 -7.611 -0.504 287 HA TRP 41 HA TRP 41 0.688 -8.386 -1.465 288 1HB TRP 41 1HB TRP 41 1.251 -10.522 -0.587 289 2HB TRP 41 2HB TRP 41 1.993 -9.817 0.856 290 HD1 TRP 41 HD TRP 41 -0.098 -8.116 2.140 291 HE1 TRP 41 1HE TRP 41 -2.333 -8.991 2.994 292 HE3 TRP 41 3HE TRP 41 -0.439 -12.365 -0.694 293 HZ2 TRP 41 2HZ TRP 41 -4.066 -11.258 2.514 294 HZ3 TRP 41 3HZ TRP 41 -2.393 -13.855 -0.468 295 HH2 TRP 41 HH TRP 41 -4.211 -13.317 1.127 296 H VAL 42 H VAL 42 -1.007 -7.405 -0.233 297 HA VAL 42 HA VAL 42 -0.089 -5.545 1.894 298 HB VAL 42 HB VAL 42 -1.552 -4.906 -0.671 299 1HG1 VAL 42 1HG1 VAL 42 -1.897 -3.696 2.062 300 2HG1 VAL 42 2HG1 VAL 42 -1.880 -2.614 0.649 301 3HG1 VAL 42 3HG1 VAL 42 -3.090 -3.914 0.760 302 1HG2 VAL 42 1HG2 VAL 42 0.750 -4.391 -0.799 303 2HG2 VAL 42 2HG2 VAL 42 0.007 -2.844 -0.328 304 3HG2 VAL 42 3HG2 VAL 42 0.816 -3.851 0.896 305 H GLU 43 H GLU 43 -1.509 -5.324 3.584 306 HA GLU 43 HA GLU 43 -3.878 -7.093 3.488 307 1HB GLU 43 1HB GLU 43 -2.211 -5.844 5.677 308 2HB GLU 43 2HB GLU 43 -3.838 -6.480 6.019 309 1HG GLU 43 1HG GLU 43 -1.668 -8.080 4.611 310 2HG GLU 43 2HG GLU 43 -1.943 -8.136 6.366 311 H SER 44 H SER 44 -5.918 -6.322 4.440 312 HA SER 44 HA SER 44 -6.293 -3.433 4.648 313 1HB SER 44 1HB SER 44 -7.929 -4.881 2.559 314 2HB SER 44 2HB SER 44 -7.691 -3.131 2.785 315 HG SER 44 HG SER 44 -5.373 -3.708 2.351 316 H GLY 45 H GLY 45 -6.870 -4.131 6.803 317 1HA GLY 45 1HA GLY 45 -8.691 -6.056 7.555 318 2HA GLY 45 2HA GLY 45 -8.525 -4.484 8.370 319 H ASN 46 H ASN 46 -10.928 -4.998 8.724 320 HA ASN 46 HA ASN 46 -12.746 -4.856 6.526 321 1HB ASN 46 1HB ASN 46 -13.154 -5.708 8.903 322 2HB ASN 46 2HB ASN 46 -13.291 -4.003 9.384 323 1HD2 ASN 46 1HD2 ASN 46 -15.357 -6.124 9.444 324 2HD2 ASN 46 2HD2 ASN 46 -16.667 -5.552 8.434 325 H ASN 47 H ASN 47 -11.115 -2.962 5.712 326 HA ASN 47 HA ASN 47 -12.740 -0.532 5.963 327 1HB ASN 47 1HB ASN 47 -10.493 0.757 6.298 328 2HB ASN 47 2HB ASN 47 -11.298 0.036 7.708 329 1HD2 ASN 47 1HD2 ASN 47 -8.762 -0.554 5.234 330 2HD2 ASN 47 2HD2 ASN 47 -7.769 -1.586 6.241 331 H VAL 48 H VAL 48 -12.533 0.842 4.174 332 HA VAL 48 HA VAL 48 -11.264 -0.439 1.846 333 HB VAL 48 HB VAL 48 -12.976 2.070 1.995 334 1HG1 VAL 48 1HG1 VAL 48 -11.435 1.130 -0.065 335 2HG1 VAL 48 2HG1 VAL 48 -12.961 0.266 -0.368 336 3HG1 VAL 48 3HG1 VAL 48 -12.946 2.044 -0.290 337 1HG2 VAL 48 1HG2 VAL 48 -14.867 0.612 1.441 338 2HG2 VAL 48 2HG2 VAL 48 -13.801 -0.814 1.449 339 3HG2 VAL 48 3HG2 VAL 48 -14.121 0.067 2.963 340 H VAL 49 H VAL 49 -9.290 0.126 1.163 341 HA VAL 49 HA VAL 49 -8.380 2.910 1.664 342 HB VAL 49 HB VAL 49 -7.027 0.317 2.425 343 1HG1 VAL 49 1HG1 VAL 49 -5.739 2.984 1.725 344 2HG1 VAL 49 2HG1 VAL 49 -4.935 1.734 2.703 345 3HG1 VAL 49 3HG1 VAL 49 -5.387 1.390 1.017 346 1HG2 VAL 49 1HG2 VAL 49 -8.389 1.816 4.018 347 2HG2 VAL 49 2HG2 VAL 49 -6.731 1.413 4.524 348 3HG2 VAL 49 3HG2 VAL 49 -7.085 3.012 3.825 349 H THR 50 H THR 50 -7.246 3.814 -0.016 350 HA THR 50 HA THR 50 -7.039 2.127 -2.450 351 HB THR 50 HB THR 50 -7.395 5.065 -1.898 352 HG1 THR 50 1HG THR 50 -8.471 3.296 -3.839 353 1HG2 THR 50 1HG2 THR 50 -5.368 4.781 -3.382 354 2HG2 THR 50 2HG2 THR 50 -6.405 3.912 -4.538 355 3HG2 THR 50 3HG2 THR 50 -6.727 5.622 -4.164 356 H LEU 51 H LEU 51 -5.104 1.612 -3.322 357 HA LEU 51 HA LEU 51 -2.701 2.802 -2.026 358 1HB LEU 51 1HB LEU 51 -3.301 0.092 -3.230 359 2HB LEU 51 2HB LEU 51 -1.627 0.667 -3.043 360 HG LEU 51 HG LEU 51 -3.708 0.176 -0.889 361 1HD1 LEU 51 1HD1 LEU 51 -1.127 -0.704 -0.162 362 2HD1 LEU 51 2HD1 LEU 51 -2.487 -1.714 -0.708 363 3HD1 LEU 51 3HD1 LEU 51 -1.293 -1.117 -1.886 364 1HD2 LEU 51 1HD2 LEU 51 -2.906 2.237 -0.140 365 2HD2 LEU 51 2HD2 LEU 51 -1.718 1.125 0.581 366 3HD2 LEU 51 3HD2 LEU 51 -1.316 2.013 -0.908 367 H GLN 52 H GLN 52 -1.430 4.082 -3.231 368 HA GLN 52 HA GLN 52 -1.833 4.010 -6.183 369 1HB GLN 52 1HB GLN 52 -1.238 6.215 -4.210 370 2HB GLN 52 2HB GLN 52 -0.758 6.384 -5.916 371 1HG GLN 52 1HG GLN 52 -3.336 5.428 -6.137 372 2HG GLN 52 2HG GLN 52 -3.447 6.446 -4.684 373 1HE2 GLN 52 1HE2 GLN 52 -1.580 6.679 -7.769 374 2HE2 GLN 52 2HE2 GLN 52 -2.130 8.290 -8.178 375 H PHE 53 H PHE 53 -0.252 2.821 -7.099 376 HA PHE 53 HA PHE 53 2.537 3.453 -6.299 377 1HB PHE 53 1HB PHE 53 3.121 1.095 -6.398 378 2HB PHE 53 2HB PHE 53 1.856 1.360 -5.186 379 HD1 PHE 53 1HD PHE 53 -0.494 0.683 -5.664 380 HD2 PHE 53 2HD PHE 53 2.742 -0.278 -8.321 381 HE1 PHE 53 1HE PHE 53 -1.904 -1.039 -6.759 382 HE2 PHE 53 2HE PHE 53 1.332 -2.000 -9.416 383 HZ PHE 53 HZ PHE 53 -0.991 -2.380 -8.635 384 H GLN 54 H GLN 54 4.105 3.041 -7.989 385 HA GLN 54 HA GLN 54 2.861 3.268 -10.672 386 1HB GLN 54 1HB GLN 54 4.698 4.861 -9.485 387 2HB GLN 54 2HB GLN 54 5.786 3.685 -10.261 388 1HG GLN 54 1HG GLN 54 4.895 4.138 -12.428 389 2HG GLN 54 2HG GLN 54 3.496 5.004 -11.755 390 1HE2 GLN 54 1HE2 GLN 54 6.869 5.193 -12.684 391 2HE2 GLN 54 2HE2 GLN 54 7.076 6.908 -12.400 392 H ARG 55 H ARG 55 2.711 1.420 -11.792 393 HA ARG 55 HA ARG 55 3.927 -1.007 -11.141 394 1HB ARG 55 1HB ARG 55 2.329 0.098 -13.277 395 2HB ARG 55 2HB ARG 55 3.610 -0.929 -13.964 396 1HG ARG 55 1HG ARG 55 2.080 -1.910 -11.561 397 2HG ARG 55 2HG ARG 55 1.317 -2.000 -13.166 398 1HD ARG 55 1HD ARG 55 2.974 -3.439 -14.012 399 2HD ARG 55 2HD ARG 55 4.143 -2.990 -12.752 400 HE ARG 55 HE ARG 55 1.822 -4.233 -11.597 401 1HH1 ARG 55 1HH1 ARG 55 3.387 -7.384 -11.338 402 2HH1 ARG 55 2HH1 ARG 55 2.043 -6.396 -10.812 403 1HH2 ARG 55 1HH2 ARG 55 4.948 -6.524 -12.823 404 2HH2 ARG 55 2HH2 ARG 55 4.781 -4.888 -13.418 405 H ASN 56 H ASN 56 4.918 1.283 -13.756 406 HA ASN 56 HA ASN 56 7.640 0.081 -13.578 407 1HB ASN 56 1HB ASN 56 6.103 1.356 -15.860 408 2HB ASN 56 2HB ASN 56 7.857 1.081 -15.921 409 1HD2 ASN 56 1HD2 ASN 56 8.326 -0.685 -17.098 410 2HD2 ASN 56 2HD2 ASN 56 7.442 -2.195 -17.065 411 H LEU 57 H LEU 57 9.436 1.446 -13.465 412 HA LEU 57 HA LEU 57 8.859 4.088 -12.339 413 1HB LEU 57 1HB LEU 57 10.524 2.691 -11.247 414 2HB LEU 57 2HB LEU 57 11.433 2.523 -12.768 415 HG LEU 57 HG LEU 57 11.847 4.954 -12.805 416 1HD1 LEU 57 1HD1 LEU 57 11.057 5.566 -10.085 417 2HD1 LEU 57 2HD1 LEU 57 10.582 6.376 -11.597 418 3HD1 LEU 57 3HD1 LEU 57 9.648 4.982 -11.003 419 1HD2 LEU 57 1HD2 LEU 57 12.668 4.541 -10.036 420 2HD2 LEU 57 2HD2 LEU 57 12.934 3.074 -11.008 421 3HD2 LEU 57 3HD2 LEU 57 13.665 4.617 -11.509 422 H SER 58 H SER 58 11.038 2.824 -14.932 423 HA SER 58 HA SER 58 11.789 5.212 -16.079 424 1HB SER 58 1HB SER 58 12.447 2.820 -16.709 425 2HB SER 58 2HB SER 58 10.973 2.785 -17.707 426 HG SER 58 HG SER 58 11.844 4.156 -19.063 427 H ASP 59 H ASP 59 8.736 3.404 -16.590 428 HA ASP 59 HA ASP 59 7.739 5.688 -18.211 429 1HB ASP 59 1HB ASP 59 7.695 3.224 -19.016 430 2HB ASP 59 2HB ASP 59 6.381 3.011 -17.839 431 HA PRO 60 HA PRO 60 5.226 6.972 -14.833 432 1HB PRO 60 1HB PRO 60 3.387 8.481 -16.162 433 2HB PRO 60 2HB PRO 60 5.116 8.953 -16.079 434 1HG PRO 60 1HG PRO 60 3.729 7.438 -18.309 435 2HG PRO 60 2HG PRO 60 4.743 8.910 -18.460 436 1HD PRO 60 1HD PRO 60 5.784 6.422 -18.853 437 2HD PRO 60 2HD PRO 60 6.726 7.674 -17.987 438 H ARG 61 H ARG 61 4.810 4.279 -15.778 439 HA ARG 61 HA ARG 61 2.005 3.898 -16.375 440 1HB ARG 61 1HB ARG 61 4.431 2.247 -15.964 441 2HB ARG 61 2HB ARG 61 2.907 1.479 -15.458 442 1HG ARG 61 1HG ARG 61 1.937 1.757 -17.633 443 2HG ARG 61 2HG ARG 61 3.239 2.856 -18.149 444 1HD ARG 61 1HD ARG 61 4.836 1.101 -18.235 445 2HD ARG 61 2HD ARG 61 3.808 0.006 -17.285 446 HE ARG 61 HE ARG 61 2.447 0.723 -19.684 447 1HH1 ARG 61 1HH1 ARG 61 3.538 -2.106 -21.486 448 2HH1 ARG 61 2HH1 ARG 61 2.374 -0.802 -21.419 449 1HH2 ARG 61 1HH2 ARG 61 5.155 -2.304 -19.834 450 2HH2 ARG 61 2HH2 ARG 61 5.210 -1.150 -18.520 451 H LEU 62 H LEU 62 1.065 5.199 -14.642 452 HA LEU 62 HA LEU 62 1.440 4.273 -11.896 453 1HB LEU 62 1HB LEU 62 0.963 6.692 -12.787 454 2HB LEU 62 2HB LEU 62 -0.733 6.151 -12.822 455 HG LEU 62 HG LEU 62 0.069 7.270 -10.648 456 1HD1 LEU 62 1HD1 LEU 62 -1.857 6.226 -10.072 457 2HD1 LEU 62 2HD1 LEU 62 -1.480 4.812 -11.086 458 3HD1 LEU 62 3HD1 LEU 62 -0.828 4.921 -9.433 459 1HD2 LEU 62 1HD2 LEU 62 1.383 5.907 -9.125 460 2HD2 LEU 62 2HD2 LEU 62 1.398 4.553 -10.281 461 3HD2 LEU 62 3HD2 LEU 62 2.281 6.053 -10.655 462 H GLU 63 H GLU 63 -0.002 3.081 -10.674 463 HA GLU 63 HA GLU 63 -2.496 2.188 -12.005 464 1HB GLU 63 1HB GLU 63 -0.365 0.377 -10.806 465 2HB GLU 63 2HB GLU 63 -1.994 -0.152 -11.291 466 1HG GLU 63 1HG GLU 63 0.204 0.980 -13.059 467 2HG GLU 63 2HG GLU 63 -0.528 -0.637 -13.134 468 H THR 64 H THR 64 -4.205 1.994 -10.622 469 HA THR 64 HA THR 64 -3.593 2.439 -7.738 470 HB THR 64 HB THR 64 -6.074 3.272 -7.807 471 HG1 THR 64 1HG THR 64 -6.748 3.919 -9.783 472 1HG2 THR 64 1HG2 THR 64 -5.139 5.338 -7.679 473 2HG2 THR 64 2HG2 THR 64 -3.589 4.502 -7.938 474 3HG2 THR 64 3HG2 THR 64 -4.454 5.222 -9.317 475 H ILE 65 H ILE 65 -4.706 1.215 -6.192 476 HA ILE 65 HA ILE 65 -6.441 -0.959 -7.223 477 HB ILE 65 HB ILE 65 -4.006 -1.702 -6.959 478 1HG1 ILE 65 1HG1 ILE 65 -6.036 -3.049 -5.130 479 2HG1 ILE 65 2HG1 ILE 65 -6.035 -3.207 -6.903 480 1HG2 ILE 65 1HG2 ILE 65 -3.087 -1.914 -4.780 481 2HG2 ILE 65 2HG2 ILE 65 -3.791 -0.280 -4.805 482 3HG2 ILE 65 3HG2 ILE 65 -4.656 -1.609 -3.997 483 1HD1 ILE 65 1HD1 ILE 65 -4.349 -4.539 -4.917 484 2HD1 ILE 65 2HD1 ILE 65 -4.582 -4.919 -6.641 485 3HD1 ILE 65 3HD1 ILE 65 -3.375 -3.706 -6.152 486 H THR 66 H THR 66 -8.222 -1.251 -5.988 487 HA THR 66 HA THR 66 -8.321 0.251 -3.426 488 HB THR 66 HB THR 66 -10.466 -0.745 -5.335 489 HG1 THR 66 1HG THR 66 -10.799 1.444 -5.584 490 1HG2 THR 66 1HG2 THR 66 -11.420 -1.051 -3.180 491 2HG2 THR 66 2HG2 THR 66 -10.623 0.402 -2.530 492 3HG2 THR 66 3HG2 THR 66 -11.968 0.565 -3.684 493 H LEU 67 H LEU 67 -8.213 -0.861 -1.576 494 HA LEU 67 HA LEU 67 -8.595 -3.794 -1.685 495 1HB LEU 67 1HB LEU 67 -7.560 -2.084 0.604 496 2HB LEU 67 2HB LEU 67 -7.386 -3.842 0.390 497 HG LEU 67 HG LEU 67 -6.334 -1.939 -1.712 498 1HD1 LEU 67 1HD1 LEU 67 -5.534 -1.615 0.860 499 2HD1 LEU 67 2HD1 LEU 67 -4.463 -2.954 0.384 500 3HD1 LEU 67 3HD1 LEU 67 -4.435 -1.424 -0.526 501 1HD2 LEU 67 1HD2 LEU 67 -5.077 -4.520 -0.801 502 2HD2 LEU 67 2HD2 LEU 67 -6.562 -4.587 -1.781 503 3HD2 LEU 67 3HD2 LEU 67 -5.107 -3.785 -2.422 504 H GLN 68 H GLN 68 -10.414 -4.722 -0.956 505 HA GLN 68 HA GLN 68 -12.447 -3.034 0.306 506 1HB GLN 68 1HB GLN 68 -12.416 -5.957 -0.543 507 2HB GLN 68 2HB GLN 68 -13.839 -5.093 0.087 508 1HG GLN 68 1HG GLN 68 -12.260 -4.054 -2.285 509 2HG GLN 68 2HG GLN 68 -13.568 -5.241 -2.484 510 1HE2 GLN 68 1HE2 GLN 68 -12.752 -1.939 -1.450 511 2HE2 GLN 68 2HE2 GLN 68 -14.381 -1.303 -1.527 512 H LYS 69 H LYS 69 -13.772 -4.462 2.079 513 HA LYS 69 HA LYS 69 -12.238 -4.343 4.430 514 1HB LYS 69 1HB LYS 69 -14.653 -6.134 4.033 515 2HB LYS 69 2HB LYS 69 -14.139 -5.281 5.509 516 1HG LYS 69 1HG LYS 69 -15.511 -3.596 4.892 517 2HG LYS 69 2HG LYS 69 -14.378 -3.265 3.560 518 1HD LYS 69 1HD LYS 69 -15.600 -4.880 2.128 519 2HD LYS 69 2HD LYS 69 -16.742 -5.187 3.458 520 1HE LYS 69 1HE LYS 69 -17.382 -2.797 3.457 521 2HE LYS 69 2HE LYS 69 -16.245 -2.494 2.126 522 1HZ LYS 69 1HZ LYS 69 -18.814 -3.781 2.091 523 2HZ LYS 69 2HZ LYS 69 -18.071 -2.861 0.941 524 3HZ LYS 69 3HZ LYS 69 -17.660 -4.448 1.119 525 H TRP 70 H TRP 70 -10.719 -5.642 5.275 526 HA TRP 70 HA TRP 70 -9.412 -7.484 5.641 527 1HB TRP 70 1HB TRP 70 -11.811 -9.041 4.633 528 2HB TRP 70 2HB TRP 70 -10.471 -9.670 5.602 529 HD1 TRP 70 HD TRP 70 -13.885 -8.472 5.933 530 HE1 TRP 70 1HE TRP 70 -14.504 -7.931 8.343 531 HE3 TRP 70 3HE TRP 70 -9.194 -8.420 7.979 532 HZ2 TRP 70 2HZ TRP 70 -13.138 -7.522 10.861 533 HZ3 TRP 70 3HZ TRP 70 -8.893 -7.951 10.383 534 HH2 TRP 70 HH TRP 70 -10.849 -7.501 11.834 535 H GLY 71 H GLY 71 -9.538 -6.100 2.985 536 1HA GLY 71 1HA GLY 71 -9.051 -8.236 1.040 537 2HA GLY 71 2HA GLY 71 -8.968 -6.482 0.756 538 H SER 72 H SER 72 -7.034 -8.540 -0.065 539 HA SER 72 HA SER 72 -4.660 -7.374 1.277 540 1HB SER 72 1HB SER 72 -4.354 -10.208 0.548 541 2HB SER 72 2HB SER 72 -3.888 -9.355 2.040 542 HG SER 72 HG SER 72 -6.013 -10.914 1.589 543 H TRP 73 H TRP 73 -2.681 -7.606 -0.035 544 HA TRP 73 HA TRP 73 -3.261 -8.094 -2.911 545 1HB TRP 73 1HB TRP 73 -3.323 -5.644 -2.272 546 2HB TRP 73 2HB TRP 73 -1.614 -5.789 -1.839 547 HD1 TRP 73 HD TRP 73 -3.124 -7.433 -4.951 548 HE1 TRP 73 1HE TRP 73 -2.085 -6.429 -7.048 549 HE3 TRP 73 3HE TRP 73 -0.381 -3.695 -2.782 550 HZ2 TRP 73 2HZ TRP 73 -0.280 -4.267 -7.715 551 HZ3 TRP 73 3HZ TRP 73 0.983 -2.186 -4.178 552 HH2 TRP 73 HH TRP 73 1.045 -2.458 -6.640 553 H ASN 74 H ASN 74 -1.328 -8.564 -4.186 554 HA ASN 74 HA ASN 74 1.267 -8.813 -3.257 555 1HB ASN 74 1HB ASN 74 1.334 -11.284 -2.691 556 2HB ASN 74 2HB ASN 74 0.573 -10.243 -1.468 557 1HD2 ASN 74 1HD2 ASN 74 -1.662 -10.378 -1.079 558 2HD2 ASN 74 2HD2 ASN 74 -2.651 -11.662 -1.739 559 HA PRO 75 HA PRO 75 0.350 -9.977 -7.626 560 1HB PRO 75 1HB PRO 75 1.986 -8.133 -8.788 561 2HB PRO 75 2HB PRO 75 0.368 -7.693 -8.150 562 1HG PRO 75 1HG PRO 75 3.037 -7.421 -6.737 563 2HG PRO 75 2HG PRO 75 1.790 -6.151 -6.961 564 1HD PRO 75 1HD PRO 75 1.926 -7.621 -4.670 565 2HD PRO 75 2HD PRO 75 0.340 -7.205 -5.388 566 H GLY 76 H GLY 76 3.639 -8.640 -7.050 567 1HA GLY 76 1HA GLY 76 5.011 -11.027 -6.553 568 2HA GLY 76 2HA GLY 76 4.917 -10.863 -8.321 569 H HIS 77 H HIS 77 5.673 -8.895 -5.390 570 HA HIS 77 HA HIS 77 7.349 -7.389 -4.991 571 1HB HIS 77 1HB HIS 77 8.824 -9.217 -5.709 572 2HB HIS 77 2HB HIS 77 8.622 -8.730 -7.402 573 HD1 HIS 77 1HD HIS 77 9.219 -5.731 -7.408 574 HD2 HIS 77 2HD HIS 77 11.199 -8.528 -4.947 575 HE1 HIS 77 1HE HIS 77 11.465 -4.669 -6.751 576 HE2 HIS 77 2HE HIS 77 12.659 -6.378 -5.257 577 H ILE 78 H ILE 78 6.485 -5.401 -5.325 578 HA ILE 78 HA ILE 78 6.158 -4.458 -8.112 579 HB ILE 78 HB ILE 78 5.269 -3.236 -5.469 580 1HG1 ILE 78 1HG1 ILE 78 4.312 -5.540 -6.630 581 2HG1 ILE 78 2HG1 ILE 78 3.339 -4.439 -5.626 582 1HG2 ILE 78 1HG2 ILE 78 3.804 -1.875 -6.972 583 2HG2 ILE 78 2HG2 ILE 78 5.536 -1.572 -7.248 584 3HG2 ILE 78 3HG2 ILE 78 4.621 -2.597 -8.379 585 1HD1 ILE 78 1HD1 ILE 78 2.271 -4.988 -7.839 586 2HD1 ILE 78 2HD1 ILE 78 2.554 -3.248 -7.599 587 3HD1 ILE 78 3HD1 ILE 78 3.641 -4.190 -8.647 588 H HIS 79 H HIS 79 7.043 -2.432 -8.789 589 HA HIS 79 HA HIS 79 9.726 -2.015 -8.191 590 1HB HIS 79 1HB HIS 79 8.927 -1.035 -10.156 591 2HB HIS 79 2HB HIS 79 7.542 -0.287 -9.340 592 HD1 HIS 79 1HD HIS 79 11.326 0.092 -8.519 593 HD2 HIS 79 2HD HIS 79 7.885 2.276 -9.610 594 HE1 HIS 79 1HE HIS 79 11.988 2.575 -8.475 595 HE2 HIS 79 2HE HIS 79 9.890 3.891 -9.138 596 H GLU 80 H GLU 80 7.301 0.495 -7.345 597 HA GLU 80 HA GLU 80 8.071 0.471 -4.542 598 1HB GLU 80 1HB GLU 80 10.005 1.632 -5.583 599 2HB GLU 80 2HB GLU 80 8.888 2.821 -6.295 600 1HG GLU 80 1HG GLU 80 8.434 2.438 -3.421 601 2HG GLU 80 2HG GLU 80 10.088 2.985 -3.776 602 H ILE 81 H ILE 81 6.721 1.833 -3.264 603 HA ILE 81 HA ILE 81 4.142 2.356 -4.525 604 HB ILE 81 HB ILE 81 5.148 2.755 -1.679 605 1HG1 ILE 81 1HG1 ILE 81 5.096 0.389 -2.653 606 2HG1 ILE 81 2HG1 ILE 81 4.102 0.649 -1.200 607 1HG2 ILE 81 1HG2 ILE 81 3.222 3.900 -1.395 608 2HG2 ILE 81 2HG2 ILE 81 2.704 3.547 -3.061 609 3HG2 ILE 81 3HG2 ILE 81 2.352 2.390 -1.755 610 1HD1 ILE 81 1HD1 ILE 81 2.586 1.309 -3.591 611 2HD1 ILE 81 2HD1 ILE 81 3.241 -0.342 -3.709 612 3HD1 ILE 81 3HD1 ILE 81 2.221 0.114 -2.323 613 H LEU 82 H LEU 82 3.219 4.336 -4.935 614 HA LEU 82 HA LEU 82 5.082 6.617 -4.955 615 1HB LEU 82 1HB LEU 82 2.247 6.409 -6.035 616 2HB LEU 82 2HB LEU 82 3.464 7.646 -6.428 617 HG LEU 82 HG LEU 82 3.141 4.916 -7.491 618 1HD1 LEU 82 1HD1 LEU 82 4.426 5.903 -9.343 619 2HD1 LEU 82 2HD1 LEU 82 3.140 7.019 -8.826 620 3HD1 LEU 82 3HD1 LEU 82 4.825 7.314 -8.334 621 1HD2 LEU 82 1HD2 LEU 82 5.748 4.783 -7.714 622 2HD2 LEU 82 2HD2 LEU 82 5.757 5.834 -6.277 623 3HD2 LEU 82 3HD2 LEU 82 4.988 4.230 -6.202 624 H SER 83 H SER 83 1.603 6.156 -4.091 625 HA SER 83 HA SER 83 2.079 7.675 -1.606 626 1HB SER 83 1HB SER 83 1.419 9.220 -3.590 627 2HB SER 83 2HB SER 83 -0.189 8.471 -3.442 628 HG SER 83 HG SER 83 0.947 10.365 -1.916 629 H ILE 84 H ILE 84 -0.046 7.720 -0.293 630 HA ILE 84 HA ILE 84 -1.614 5.245 -0.812 631 HB ILE 84 HB ILE 84 -0.155 6.102 1.696 632 1HG1 ILE 84 1HG1 ILE 84 -0.497 3.379 0.382 633 2HG1 ILE 84 2HG1 ILE 84 0.828 4.497 -0.024 634 1HG2 ILE 84 1HG2 ILE 84 -2.106 5.628 2.795 635 2HG2 ILE 84 2HG2 ILE 84 -2.789 4.742 1.411 636 3HG2 ILE 84 3HG2 ILE 84 -1.623 3.941 2.492 637 1HD1 ILE 84 1HD1 ILE 84 1.676 3.002 1.662 638 2HD1 ILE 84 2HD1 ILE 84 1.378 4.563 2.465 639 3HD1 ILE 84 3HD1 ILE 84 0.227 3.221 2.672 640 H ARG 85 H ARG 85 -3.770 5.543 -0.675 641 HA ARG 85 HA ARG 85 -4.715 8.029 0.674 642 1HB ARG 85 1HB ARG 85 -4.870 8.259 -1.761 643 2HB ARG 85 2HB ARG 85 -5.745 6.713 -1.871 644 1HG ARG 85 1HG ARG 85 -7.685 7.587 -0.934 645 2HG ARG 85 2HG ARG 85 -6.808 8.848 -0.034 646 1HD ARG 85 1HD ARG 85 -7.188 10.314 -1.694 647 2HD ARG 85 2HD ARG 85 -6.334 9.253 -2.835 648 HE ARG 85 HE ARG 85 -8.794 8.080 -2.669 649 1HH1 ARG 85 1HH1 ARG 85 -10.722 10.254 -4.668 650 2HH1 ARG 85 2HH1 ARG 85 -10.601 8.644 -3.993 651 1HH2 ARG 85 1HH2 ARG 85 -9.067 11.821 -4.234 652 2HH2 ARG 85 2HH2 ARG 85 -7.698 11.394 -3.231 653 H ILE 86 H ILE 86 -6.198 7.725 2.237 654 HA ILE 86 HA ILE 86 -7.466 5.032 2.396 655 HB ILE 86 HB ILE 86 -6.959 6.977 4.674 656 1HG1 ILE 86 1HG1 ILE 86 -5.327 4.492 4.105 657 2HG1 ILE 86 2HG1 ILE 86 -4.884 6.054 3.376 658 1HG2 ILE 86 1HG2 ILE 86 -7.006 4.275 5.501 659 2HG2 ILE 86 2HG2 ILE 86 -8.270 5.500 5.765 660 3HG2 ILE 86 3HG2 ILE 86 -8.344 4.438 4.339 661 1HD1 ILE 86 1HD1 ILE 86 -4.795 7.085 5.619 662 2HD1 ILE 86 2HD1 ILE 86 -5.263 5.534 6.357 663 3HD1 ILE 86 3HD1 ILE 86 -3.697 5.687 5.525 664 H TYR 87 H TYR 87 -9.663 4.907 2.498 665 HA TYR 87 HA TYR 87 -11.142 7.384 1.998 666 1HB TYR 87 1HB TYR 87 -11.871 4.445 2.089 667 2HB TYR 87 2HB TYR 87 -13.071 5.726 1.847 668 HD1 TYR 87 1HD TYR 87 -13.699 6.107 -0.338 669 HD2 TYR 87 2HD TYR 87 -9.688 4.802 0.474 670 HE1 TYR 87 1HE TYR 87 -13.206 6.111 -2.769 671 HE2 TYR 87 2HE TYR 87 -9.195 4.806 -1.957 672 HH TYR 87 HH TYR 87 -11.654 5.213 -4.393 Start of MODEL 18 1 H MET 1 H MET 1 -5.060 12.197 10.051 2 HA MET 1 HA MET 1 -3.626 12.574 8.105 3 1HB MET 1 1HB MET 1 -2.110 13.886 10.137 4 2HB MET 1 2HB MET 1 -1.077 12.618 9.435 5 1HG MET 1 1HG MET 1 -0.674 14.209 7.859 6 2HG MET 1 2HG MET 1 -2.184 13.586 7.173 7 1HE MET 1 1HE MET 1 -4.879 15.651 8.060 8 2HE MET 1 2HE MET 1 -4.180 16.028 6.467 9 3HE MET 1 3HE MET 1 -4.132 14.361 7.089 10 H ILE 2 H ILE 2 -1.704 11.088 7.403 11 HA ILE 2 HA ILE 2 -2.254 8.442 8.605 12 HB ILE 2 HB ILE 2 -2.534 8.784 6.151 13 1HG1 ILE 2 1HG1 ILE 2 -0.216 6.971 6.948 14 2HG1 ILE 2 2HG1 ILE 2 -1.944 6.561 7.073 15 1HG2 ILE 2 1HG2 ILE 2 -0.069 10.175 6.472 16 2HG2 ILE 2 2HG2 ILE 2 0.273 8.754 5.456 17 3HG2 ILE 2 3HG2 ILE 2 -0.985 9.915 4.967 18 1HD1 ILE 2 1HD1 ILE 2 -0.233 6.905 4.610 19 2HD1 ILE 2 2HD1 ILE 2 -1.388 5.611 5.010 20 3HD1 ILE 2 3HD1 ILE 2 -1.984 7.213 4.513 21 H ASN 3 H ASN 3 -0.691 7.190 9.563 22 HA ASN 3 HA ASN 3 2.093 8.204 9.537 23 1HB ASN 3 1HB ASN 3 0.229 8.337 11.767 24 2HB ASN 3 2HB ASN 3 1.623 7.308 12.163 25 1HD2 ASN 3 1HD2 ASN 3 3.730 8.200 12.216 26 2HD2 ASN 3 2HD2 ASN 3 4.001 9.930 12.238 27 H ARG 4 H ARG 4 3.645 6.598 9.705 28 HA ARG 4 HA ARG 4 2.746 3.919 9.078 29 1HB ARG 4 1HB ARG 4 5.274 3.480 9.249 30 2HB ARG 4 2HB ARG 4 4.742 4.646 8.015 31 1HG ARG 4 1HG ARG 4 5.478 6.498 9.263 32 2HG ARG 4 2HG ARG 4 5.469 5.591 10.794 33 1HD ARG 4 1HD ARG 4 7.346 4.183 9.914 34 2HD ARG 4 2HD ARG 4 7.396 5.213 8.467 35 HE ARG 4 HE ARG 4 8.410 5.851 11.125 36 1HH1 ARG 4 1HH1 ARG 4 9.337 9.088 10.076 37 2HH1 ARG 4 2HH1 ARG 4 9.497 7.880 11.331 38 1HH2 ARG 4 1HH2 ARG 4 8.034 8.655 8.206 39 2HH2 ARG 4 2HH2 ARG 4 7.211 7.119 8.050 40 H THR 5 H THR 5 1.867 2.668 10.631 41 HA THR 5 HA THR 5 3.180 2.707 13.308 42 HB THR 5 HB THR 5 0.907 3.491 13.480 43 HG1 THR 5 1HG THR 5 0.629 2.204 15.095 44 1HG2 THR 5 1HG2 THR 5 0.335 1.111 11.689 45 2HG2 THR 5 2HG2 THR 5 -0.943 1.855 12.680 46 3HG2 THR 5 3HG2 THR 5 -0.102 2.819 11.442 47 H ASP 6 H ASP 6 3.449 0.677 14.388 48 HA ASP 6 HA ASP 6 3.991 -1.502 12.503 49 1HB ASP 6 1HB ASP 6 5.450 -0.654 14.506 50 2HB ASP 6 2HB ASP 6 4.346 -1.633 15.496 51 H CYS 7 H CYS 7 1.228 -0.865 12.733 52 HA CYS 7 HA CYS 7 -0.799 -1.862 13.100 53 1HB CYS 7 1HB CYS 7 0.157 -4.536 13.726 54 2HB CYS 7 2HB CYS 7 -0.791 -3.966 12.343 55 H ASN 8 H ASN 8 -1.633 -1.046 14.966 56 HA ASN 8 HA ASN 8 -0.632 -2.121 17.536 57 1HB ASN 8 1HB ASN 8 -2.204 -0.282 18.419 58 2HB ASN 8 2HB ASN 8 -0.735 0.236 17.564 59 1HD2 ASN 8 1HD2 ASN 8 -0.902 0.986 15.356 60 2HD2 ASN 8 2HD2 ASN 8 -2.421 1.604 14.744 61 H GLU 9 H GLU 9 -3.683 -1.644 15.687 62 HA GLU 9 HA GLU 9 -5.129 -3.339 17.600 63 1HB GLU 9 1HB GLU 9 -5.882 -1.751 15.132 64 2HB GLU 9 2HB GLU 9 -7.022 -2.869 15.918 65 1HG GLU 9 1HG GLU 9 -6.226 -1.567 18.109 66 2HG GLU 9 2HG GLU 9 -5.859 -0.290 16.930 67 H ASN 10 H ASN 10 -5.912 -3.538 14.203 68 HA ASN 10 HA ASN 10 -4.404 -5.870 13.552 69 1HB ASN 10 1HB ASN 10 -6.695 -6.292 15.247 70 2HB ASN 10 2HB ASN 10 -7.016 -6.994 13.647 71 1HD2 ASN 10 1HD2 ASN 10 -6.158 -8.954 13.170 72 2HD2 ASN 10 2HD2 ASN 10 -4.908 -9.754 14.098 73 H SER 11 H SER 11 -7.858 -4.905 13.125 74 HA SER 11 HA SER 11 -7.778 -5.314 10.296 75 1HB SER 11 1HB SER 11 -9.972 -5.311 10.800 76 2HB SER 11 2HB SER 11 -9.683 -4.473 12.345 77 HG SER 11 HG SER 11 -9.977 -2.586 11.399 78 H TYR 12 H TYR 12 -6.053 -4.171 9.380 79 HA TYR 12 HA TYR 12 -6.614 -1.354 8.885 80 1HB TYR 12 1HB TYR 12 -4.416 -2.282 10.692 81 2HB TYR 12 2HB TYR 12 -4.061 -0.964 9.563 82 HD1 TYR 12 1HD TYR 12 -6.671 0.463 9.513 83 HD2 TYR 12 2HD TYR 12 -4.473 -1.236 12.789 84 HE1 TYR 12 1HE TYR 12 -7.736 2.078 11.065 85 HE2 TYR 12 2HE TYR 12 -5.537 0.379 14.341 86 HH TYR 12 HH TYR 12 -8.244 2.120 13.707 87 H LEU 13 H LEU 13 -4.674 -0.458 7.475 88 HA LEU 13 HA LEU 13 -4.292 -2.466 5.359 89 1HB LEU 13 1HB LEU 13 -4.991 -0.470 4.410 90 2HB LEU 13 2HB LEU 13 -4.120 0.526 5.600 91 HG LEU 13 HG LEU 13 -1.979 -0.593 4.513 92 1HD1 LEU 13 1HD1 LEU 13 -2.428 -1.926 2.750 93 2HD1 LEU 13 2HD1 LEU 13 -4.158 -1.518 2.832 94 3HD1 LEU 13 3HD1 LEU 13 -3.048 -0.498 1.887 95 1HD2 LEU 13 1HD2 LEU 13 -1.786 1.597 4.005 96 2HD2 LEU 13 2HD2 LEU 13 -2.693 1.270 2.508 97 3HD2 LEU 13 3HD2 LEU 13 -3.555 1.794 3.975 98 H GLU 14 H GLU 14 -2.373 -3.397 4.831 99 HA GLU 14 HA GLU 14 0.103 -2.288 6.004 100 1HB GLU 14 1HB GLU 14 -0.615 -5.226 6.268 101 2HB GLU 14 2HB GLU 14 0.749 -4.357 7.010 102 1HG GLU 14 1HG GLU 14 -0.779 -3.042 8.384 103 2HG GLU 14 2HG GLU 14 -2.185 -3.765 7.572 104 H ILE 15 H ILE 15 1.940 -2.710 4.783 105 HA ILE 15 HA ILE 15 1.530 -4.344 2.329 106 HB ILE 15 HB ILE 15 3.028 -1.702 2.434 107 1HG1 ILE 15 1HG1 ILE 15 0.376 -2.032 1.056 108 2HG1 ILE 15 2HG1 ILE 15 0.385 -1.784 2.818 109 1HG2 ILE 15 1HG2 ILE 15 2.260 -2.143 -0.147 110 2HG2 ILE 15 2HG2 ILE 15 3.821 -2.678 0.521 111 3HG2 ILE 15 3HG2 ILE 15 2.458 -3.820 0.418 112 1HD1 ILE 15 1HD1 ILE 15 1.077 0.380 2.632 113 2HD1 ILE 15 2HD1 ILE 15 2.206 0.005 1.308 114 3HD1 ILE 15 3HD1 ILE 15 0.476 0.243 0.963 115 H HIS 16 H HIS 16 2.985 -5.942 2.247 116 HA HIS 16 HA HIS 16 5.596 -5.501 3.619 117 1HB HIS 16 1HB HIS 16 5.634 -7.904 4.025 118 2HB HIS 16 2HB HIS 16 4.160 -7.189 4.704 119 HD1 HIS 16 1HD HIS 16 5.293 -9.759 2.179 120 HD2 HIS 16 2HD HIS 16 1.813 -7.662 3.316 121 HE1 HIS 16 1HE HIS 16 3.310 -10.984 1.095 122 HE2 HIS 16 2HE HIS 16 1.203 -9.701 1.793 123 H ASN 17 H ASN 17 6.936 -4.879 1.978 124 HA ASN 17 HA ASN 17 6.830 -6.436 -0.547 125 1HB ASN 17 1HB ASN 17 8.309 -4.582 -1.381 126 2HB ASN 17 2HB ASN 17 6.697 -4.048 -0.857 127 1HD2 ASN 17 1HD2 ASN 17 8.707 -2.173 -1.040 128 2HD2 ASN 17 2HD2 ASN 17 9.211 -1.671 0.559 129 H ASN 18 H ASN 18 9.380 -6.166 -1.478 130 HA ASN 18 HA ASN 18 11.461 -7.111 -1.362 131 1HB ASN 18 1HB ASN 18 11.000 -6.247 1.489 132 2HB ASN 18 2HB ASN 18 12.446 -7.189 1.067 133 1HD2 ASN 18 1HD2 ASN 18 11.498 -4.134 1.638 134 2HD2 ASN 18 2HD2 ASN 18 12.529 -3.251 0.532 135 H GLU 19 H GLU 19 9.102 -8.787 -1.340 136 HA GLU 19 HA GLU 19 8.609 -11.014 -1.145 137 1HB GLU 19 1HB GLU 19 11.543 -11.086 -0.371 138 2HB GLU 19 2HB GLU 19 10.540 -12.551 -0.491 139 1HG GLU 19 1HG GLU 19 9.965 -11.938 -2.833 140 2HG GLU 19 2HG GLU 19 11.022 -10.515 -2.706 141 H GLY 20 H GLY 20 8.673 -8.951 1.215 142 1HA GLY 20 1HA GLY 20 7.438 -9.260 3.224 143 2HA GLY 20 2HA GLY 20 7.921 -10.971 3.250 144 H ARG 21 H ARG 21 9.992 -8.094 2.728 145 HA ARG 21 HA ARG 21 11.671 -9.002 4.988 146 1HB ARG 21 1HB ARG 21 12.561 -8.489 2.628 147 2HB ARG 21 2HB ARG 21 12.266 -6.778 3.016 148 1HG ARG 21 1HG ARG 21 13.678 -8.287 5.139 149 2HG ARG 21 2HG ARG 21 14.585 -8.138 3.615 150 1HD ARG 21 1HD ARG 21 13.536 -5.601 3.920 151 2HD ARG 21 2HD ARG 21 13.861 -6.072 5.602 152 HE ARG 21 HE ARG 21 16.091 -6.688 3.877 153 1HH1 ARG 21 1HH1 ARG 21 17.889 -3.831 4.899 154 2HH1 ARG 21 2HH1 ARG 21 17.984 -5.379 4.091 155 1HH2 ARG 21 1HH2 ARG 21 15.864 -3.091 5.756 156 2HH2 ARG 21 2HH2 ARG 21 14.431 -4.082 5.594 157 H ASP 22 H ASP 22 9.801 -6.197 3.796 158 HA ASP 22 HA ASP 22 9.908 -5.105 6.561 159 1HB ASP 22 1HB ASP 22 10.411 -3.689 3.931 160 2HB ASP 22 2HB ASP 22 9.885 -2.813 5.385 161 H THR 23 H THR 23 7.995 -4.168 7.288 162 HA THR 23 HA THR 23 5.722 -4.192 5.369 163 HB THR 23 HB THR 23 5.625 -5.211 8.234 164 HG1 THR 23 1HG THR 23 5.563 -7.228 7.295 165 1HG2 THR 23 1HG2 THR 23 3.643 -5.147 5.922 166 2HG2 THR 23 2HG2 THR 23 3.401 -6.094 7.409 167 3HG2 THR 23 3HG2 THR 23 3.497 -4.318 7.490 168 H LEU 24 H LEU 24 4.112 -2.634 5.762 169 HA LEU 24 HA LEU 24 4.689 -0.707 7.950 170 1HB LEU 24 1HB LEU 24 3.864 0.213 5.192 171 2HB LEU 24 2HB LEU 24 4.627 1.142 6.504 172 HG LEU 24 HG LEU 24 6.362 -1.046 5.889 173 1HD1 LEU 24 1HD1 LEU 24 5.620 0.593 3.432 174 2HD1 LEU 24 2HD1 LEU 24 6.804 -0.732 3.529 175 3HD1 LEU 24 3HD1 LEU 24 5.068 -1.077 3.711 176 1HD2 LEU 24 1HD2 LEU 24 7.073 1.594 4.786 177 2HD2 LEU 24 2HD2 LEU 24 6.490 1.668 6.466 178 3HD2 LEU 24 3HD2 LEU 24 7.878 0.635 6.050 179 H CYS 25 H CYS 25 2.933 -0.661 9.212 180 HA CYS 25 HA CYS 25 0.302 -1.278 8.005 181 1HB CYS 25 1HB CYS 25 0.974 -0.877 10.928 182 2HB CYS 25 2HB CYS 25 -0.429 -1.702 10.229 183 H PHE 26 H PHE 26 -0.994 0.350 7.409 184 HA PHE 26 HA PHE 26 -0.553 3.003 8.686 185 1HB PHE 26 1HB PHE 26 -1.779 2.222 6.020 186 2HB PHE 26 2HB PHE 26 -1.702 3.876 6.652 187 HD1 PHE 26 1HD PHE 26 0.027 1.298 4.830 188 HD2 PHE 26 2HD PHE 26 0.604 4.880 7.128 189 HE1 PHE 26 1HE PHE 26 2.285 1.569 3.841 190 HE2 PHE 26 2HE PHE 26 2.862 5.151 6.139 191 HZ PHE 26 HZ PHE 26 3.702 3.496 4.495 192 H ALA 27 H ALA 27 -2.403 4.261 9.285 193 HA ALA 27 HA ALA 27 -4.967 2.785 9.419 194 1HB ALA 27 1HB ALA 27 -3.983 2.271 11.543 195 2HB ALA 27 2HB ALA 27 -3.422 3.946 11.762 196 3HB ALA 27 3HB ALA 27 -5.161 3.574 11.831 197 H ASN 28 H ASN 28 -6.671 4.394 10.456 198 HA ASN 28 HA ASN 28 -7.814 6.369 10.263 199 1HB ASN 28 1HB ASN 28 -4.957 7.325 10.141 200 2HB ASN 28 2HB ASN 28 -6.292 8.462 9.855 201 1HD2 ASN 28 1HD2 ASN 28 -4.574 6.523 12.214 202 2HD2 ASN 28 2HD2 ASN 28 -5.440 7.085 13.627 203 H ALA 29 H ALA 29 -8.858 7.529 8.636 204 HA ALA 29 HA ALA 29 -8.543 6.544 5.987 205 1HB ALA 29 1HB ALA 29 -10.114 8.497 5.460 206 2HB ALA 29 2HB ALA 29 -10.691 7.323 6.667 207 3HB ALA 29 3HB ALA 29 -10.038 8.893 7.194 208 H GLY 30 H GLY 30 -6.622 8.691 7.728 209 1HA GLY 30 1HA GLY 30 -6.002 10.833 6.145 210 2HA GLY 30 2HA GLY 30 -4.773 9.886 7.015 211 H THR 31 H THR 31 -4.381 11.229 4.481 212 HA THR 31 HA THR 31 -3.652 8.853 2.868 213 HB THR 31 HB THR 31 -5.190 11.290 1.902 214 HG1 THR 31 1HG THR 31 -6.720 9.832 1.491 215 1HG2 THR 31 1HG2 THR 31 -3.864 9.067 0.290 216 2HG2 THR 31 2HG2 THR 31 -4.873 10.379 -0.365 217 3HG2 THR 31 3HG2 THR 31 -3.298 10.752 0.377 218 H MET 32 H MET 32 -1.515 8.928 2.554 219 HA MET 32 HA MET 32 -0.276 11.544 1.940 220 1HB MET 32 1HB MET 32 1.385 11.357 3.604 221 2HB MET 32 2HB MET 32 -0.117 10.912 4.451 222 1HG MET 32 1HG MET 32 0.413 8.495 3.858 223 2HG MET 32 2HG MET 32 2.007 9.057 3.328 224 1HE MET 32 1HE MET 32 2.525 7.073 6.732 225 2HE MET 32 2HE MET 32 1.319 6.777 5.458 226 3HE MET 32 3HE MET 32 3.001 7.161 5.019 227 HA PRO 33 HA PRO 33 1.967 9.209 -1.018 228 1HB PRO 33 1HB PRO 33 4.323 10.565 -1.198 229 2HB PRO 33 2HB PRO 33 2.762 11.314 -1.670 230 1HG PRO 33 1HG PRO 33 4.190 11.566 0.993 231 2HG PRO 33 2HG PRO 33 3.582 12.896 -0.047 232 1HD PRO 33 1HD PRO 33 2.110 11.933 2.035 233 2HD PRO 33 2HD PRO 33 1.319 12.371 0.490 234 H VAL 34 H VAL 34 3.125 7.336 -0.996 235 HA VAL 34 HA VAL 34 5.126 6.963 1.169 236 HB VAL 34 HB VAL 34 4.228 4.831 1.751 237 1HG1 VAL 34 1HG1 VAL 34 1.577 6.097 1.452 238 2HG1 VAL 34 2HG1 VAL 34 2.461 5.640 2.928 239 3HG1 VAL 34 3HG1 VAL 34 2.816 7.186 2.120 240 1HG2 VAL 34 1HG2 VAL 34 3.663 4.273 -0.681 241 2HG2 VAL 34 2HG2 VAL 34 2.491 3.708 0.533 242 3HG2 VAL 34 3HG2 VAL 34 2.139 5.160 -0.434 243 H ALA 35 H ALA 35 6.620 5.145 0.705 244 HA ALA 35 HA ALA 35 6.825 4.596 -2.215 245 1HB ALA 35 1HB ALA 35 9.250 5.000 -0.464 246 2HB ALA 35 2HB ALA 35 9.102 5.136 -2.233 247 3HB ALA 35 3HB ALA 35 8.418 6.400 -1.183 248 H ILE 36 H ILE 36 6.483 2.467 -2.453 249 HA ILE 36 HA ILE 36 7.891 0.640 -0.574 250 HB ILE 36 HB ILE 36 5.007 0.561 -1.510 251 1HG1 ILE 36 1HG1 ILE 36 5.551 -0.182 1.236 252 2HG1 ILE 36 2HG1 ILE 36 6.342 1.370 0.868 253 1HG2 ILE 36 1HG2 ILE 36 5.242 -1.681 -1.716 254 2HG2 ILE 36 2HG2 ILE 36 6.891 -1.641 -1.048 255 3HG2 ILE 36 3HG2 ILE 36 5.489 -1.712 0.047 256 1HD1 ILE 36 1HD1 ILE 36 4.239 2.297 0.041 257 2HD1 ILE 36 2HD1 ILE 36 3.429 0.725 0.245 258 3HD1 ILE 36 3HD1 ILE 36 3.978 1.634 1.673 259 H TYR 37 H TYR 37 9.429 -0.306 -1.786 260 HA TYR 37 HA TYR 37 8.785 -0.934 -4.617 261 1HB TYR 37 1HB TYR 37 11.454 -0.927 -3.173 262 2HB TYR 37 2HB TYR 37 11.191 -1.111 -4.915 263 HD1 TYR 37 1HD TYR 37 10.700 1.276 -2.075 264 HD2 TYR 37 2HD TYR 37 11.130 0.767 -6.319 265 HE1 TYR 37 1HE TYR 37 10.844 3.736 -2.356 266 HE2 TYR 37 2HE TYR 37 11.275 3.227 -6.599 267 HH TYR 37 HH TYR 37 11.268 5.261 -5.564 268 H GLY 38 H GLY 38 8.689 -3.014 -5.341 269 1HA GLY 38 1HA GLY 38 8.915 -5.321 -5.314 270 2HA GLY 38 2HA GLY 38 9.829 -5.202 -3.794 271 H VAL 39 H VAL 39 6.488 -4.480 -4.973 272 HA VAL 39 HA VAL 39 5.377 -5.185 -2.368 273 HB VAL 39 HB VAL 39 4.031 -4.512 -5.015 274 1HG1 VAL 39 1HG1 VAL 39 3.063 -4.813 -2.152 275 2HG1 VAL 39 2HG1 VAL 39 2.161 -3.868 -3.362 276 3HG1 VAL 39 3HG1 VAL 39 2.439 -5.608 -3.617 277 1HG2 VAL 39 1HG2 VAL 39 3.823 -2.459 -3.024 278 2HG2 VAL 39 2HG2 VAL 39 5.540 -2.908 -3.167 279 3HG2 VAL 39 3HG2 VAL 39 4.635 -2.381 -4.606 280 H ASN 40 H ASN 40 5.088 -7.247 -1.773 281 HA ASN 40 HA ASN 40 4.682 -9.275 -3.902 282 1HB ASN 40 1HB ASN 40 5.690 -9.324 -1.060 283 2HB ASN 40 2HB ASN 40 5.058 -10.806 -1.811 284 1HD2 ASN 40 1HD2 ASN 40 6.918 -8.069 -3.233 285 2HD2 ASN 40 2HD2 ASN 40 8.266 -9.042 -3.780 286 H TRP 41 H TRP 41 3.283 -7.933 -0.900 287 HA TRP 41 HA TRP 41 0.631 -8.730 -1.757 288 1HB TRP 41 1HB TRP 41 1.345 -10.855 -0.862 289 2HB TRP 41 2HB TRP 41 1.962 -10.084 0.606 290 HD1 TRP 41 HD TRP 41 -0.246 -8.532 1.807 291 HE1 TRP 41 1HE TRP 41 -2.489 -9.500 2.526 292 HE3 TRP 41 3HE TRP 41 -0.295 -12.724 -1.130 293 HZ2 TRP 41 2HZ TRP 41 -4.117 -11.812 1.909 294 HZ3 TRP 41 3HZ TRP 41 -2.205 -14.283 -1.036 295 HH2 TRP 41 HH TRP 41 -4.119 -13.843 0.474 296 H VAL 42 H VAL 42 -1.013 -7.704 -0.522 297 HA VAL 42 HA VAL 42 -0.035 -5.838 1.575 298 HB VAL 42 HB VAL 42 -1.676 -5.205 -0.897 299 1HG1 VAL 42 1HG1 VAL 42 -1.530 -3.832 1.793 300 2HG1 VAL 42 2HG1 VAL 42 -1.766 -2.875 0.310 301 3HG1 VAL 42 3HG1 VAL 42 -2.948 -4.128 0.759 302 1HG2 VAL 42 1HG2 VAL 42 0.273 -3.239 -0.156 303 2HG2 VAL 42 2HG2 VAL 42 1.052 -4.837 -0.063 304 3HG2 VAL 42 3HG2 VAL 42 0.277 -4.311 -1.577 305 H GLU 43 H GLU 43 -1.409 -5.590 3.300 306 HA GLU 43 HA GLU 43 -3.763 -7.377 3.308 307 1HB GLU 43 1HB GLU 43 -2.242 -5.914 5.497 308 2HB GLU 43 2HB GLU 43 -3.698 -6.898 5.780 309 1HG GLU 43 1HG GLU 43 -2.499 -8.801 5.703 310 2HG GLU 43 2HG GLU 43 -1.806 -8.353 4.129 311 H SER 44 H SER 44 -5.806 -6.617 4.213 312 HA SER 44 HA SER 44 -6.224 -3.730 4.380 313 1HB SER 44 1HB SER 44 -7.838 -5.241 2.317 314 2HB SER 44 2HB SER 44 -7.635 -3.483 2.516 315 HG SER 44 HG SER 44 -5.344 -3.926 2.039 316 H GLY 45 H GLY 45 -6.780 -4.414 6.550 317 1HA GLY 45 1HA GLY 45 -8.589 -6.353 7.317 318 2HA GLY 45 2HA GLY 45 -8.415 -4.782 8.132 319 H ASN 46 H ASN 46 -10.806 -5.250 8.520 320 HA ASN 46 HA ASN 46 -12.646 -5.116 6.330 321 1HB ASN 46 1HB ASN 46 -13.049 -5.988 8.694 322 2HB ASN 46 2HB ASN 46 -13.154 -4.289 9.204 323 1HD2 ASN 46 1HD2 ASN 46 -15.104 -3.311 9.103 324 2HD2 ASN 46 2HD2 ASN 46 -16.475 -3.887 8.179 325 H ASN 47 H ASN 47 -10.995 -3.214 5.538 326 HA ASN 47 HA ASN 47 -12.626 -0.788 5.792 327 1HB ASN 47 1HB ASN 47 -10.370 0.495 6.146 328 2HB ASN 47 2HB ASN 47 -11.202 -0.216 7.546 329 1HD2 ASN 47 1HD2 ASN 47 -8.614 -0.794 5.130 330 2HD2 ASN 47 2HD2 ASN 47 -7.652 -1.846 6.147 331 H VAL 48 H VAL 48 -12.468 0.547 3.990 332 HA VAL 48 HA VAL 48 -11.116 -0.692 1.684 333 HB VAL 48 HB VAL 48 -12.912 1.758 1.764 334 1HG1 VAL 48 1HG1 VAL 48 -13.247 1.266 -0.581 335 2HG1 VAL 48 2HG1 VAL 48 -11.493 1.271 -0.281 336 3HG1 VAL 48 3HG1 VAL 48 -12.364 -0.273 -0.438 337 1HG2 VAL 48 1HG2 VAL 48 -14.557 -0.171 0.893 338 2HG2 VAL 48 2HG2 VAL 48 -13.508 -1.182 1.915 339 3HG2 VAL 48 3HG2 VAL 48 -14.385 0.194 2.627 340 H VAL 49 H VAL 49 -9.152 -0.053 1.043 341 HA VAL 49 HA VAL 49 -8.378 2.776 1.517 342 HB VAL 49 HB VAL 49 -6.881 0.262 2.304 343 1HG1 VAL 49 1HG1 VAL 49 -5.249 2.529 2.762 344 2HG1 VAL 49 2HG1 VAL 49 -4.959 1.211 1.601 345 3HG1 VAL 49 3HG1 VAL 49 -5.821 2.680 1.083 346 1HG2 VAL 49 1HG2 VAL 49 -6.488 2.075 4.266 347 2HG2 VAL 49 2HG2 VAL 49 -8.025 2.697 3.618 348 3HG2 VAL 49 3HG2 VAL 49 -7.923 1.023 4.213 349 H THR 50 H THR 50 -7.298 3.707 -0.174 350 HA THR 50 HA THR 50 -6.986 2.011 -2.580 351 HB THR 50 HB THR 50 -7.377 4.939 -2.027 352 HG1 THR 50 1HG THR 50 -8.749 4.519 -3.913 353 1HG2 THR 50 1HG2 THR 50 -5.438 5.107 -3.391 354 2HG2 THR 50 2HG2 THR 50 -5.916 3.711 -4.386 355 3HG2 THR 50 3HG2 THR 50 -6.798 5.250 -4.531 356 H LEU 51 H LEU 51 -5.038 1.561 -3.485 357 HA LEU 51 HA LEU 51 -2.655 2.693 -2.101 358 1HB LEU 51 1HB LEU 51 -3.253 0.025 -3.388 359 2HB LEU 51 2HB LEU 51 -1.575 0.589 -3.201 360 HG LEU 51 HG LEU 51 -3.637 0.029 -1.048 361 1HD1 LEU 51 1HD1 LEU 51 -2.390 -1.851 -0.935 362 2HD1 LEU 51 2HD1 LEU 51 -1.199 -1.196 -2.084 363 3HD1 LEU 51 3HD1 LEU 51 -1.049 -0.838 -0.346 364 1HD2 LEU 51 1HD2 LEU 51 -2.852 2.102 -0.284 365 2HD2 LEU 51 2HD2 LEU 51 -1.696 0.971 0.459 366 3HD2 LEU 51 3HD2 LEU 51 -1.243 1.871 -1.008 367 H GLN 52 H GLN 52 -1.361 4.011 -3.240 368 HA GLN 52 HA GLN 52 -1.704 4.030 -6.201 369 1HB GLN 52 1HB GLN 52 -1.205 6.185 -4.150 370 2HB GLN 52 2HB GLN 52 -0.664 6.411 -5.831 371 1HG GLN 52 1HG GLN 52 -3.176 5.484 -6.275 372 2HG GLN 52 2HG GLN 52 -3.425 6.282 -4.707 373 1HE2 GLN 52 1HE2 GLN 52 -1.879 6.838 -7.920 374 2HE2 GLN 52 2HE2 GLN 52 -2.290 8.537 -8.015 375 H PHE 53 H PHE 53 -0.085 2.872 -7.095 376 HA PHE 53 HA PHE 53 2.675 3.537 -6.223 377 1HB PHE 53 1HB PHE 53 3.298 1.186 -6.356 378 2HB PHE 53 2HB PHE 53 2.016 1.418 -5.156 379 HD1 PHE 53 1HD PHE 53 -0.306 0.692 -5.646 380 HD2 PHE 53 2HD PHE 53 2.946 -0.138 -8.326 381 HE1 PHE 53 1HE PHE 53 -1.681 -1.033 -6.780 382 HE2 PHE 53 2HE PHE 53 1.572 -1.863 -9.460 383 HZ PHE 53 HZ PHE 53 -0.742 -2.310 -8.688 384 H GLN 54 H GLN 54 4.290 3.148 -7.885 385 HA GLN 54 HA GLN 54 3.103 3.417 -10.590 386 1HB GLN 54 1HB GLN 54 4.856 5.039 -9.380 387 2HB GLN 54 2HB GLN 54 6.014 3.857 -10.037 388 1HG GLN 54 1HG GLN 54 5.288 4.233 -12.274 389 2HG GLN 54 2HG GLN 54 3.821 5.081 -11.739 390 1HE2 GLN 54 1HE2 GLN 54 7.191 5.359 -12.543 391 2HE2 GLN 54 2HE2 GLN 54 7.356 7.077 -12.245 392 H ARG 55 H ARG 55 2.973 1.573 -11.721 393 HA ARG 55 HA ARG 55 4.208 -0.848 -11.089 394 1HB ARG 55 1HB ARG 55 2.413 0.051 -12.976 395 2HB ARG 55 2HB ARG 55 3.825 -0.365 -13.977 396 1HG ARG 55 1HG ARG 55 3.809 -2.613 -13.294 397 2HG ARG 55 2HG ARG 55 2.878 -2.259 -11.819 398 1HD ARG 55 1HD ARG 55 1.283 -1.393 -14.004 399 2HD ARG 55 2HD ARG 55 1.919 -2.989 -14.454 400 HE ARG 55 HE ARG 55 -0.134 -2.465 -12.549 401 1HH1 ARG 55 1HH1 ARG 55 0.152 -5.596 -10.950 402 2HH1 ARG 55 2HH1 ARG 55 -0.859 -4.190 -11.193 403 1HH2 ARG 55 1HH2 ARG 55 2.223 -5.730 -11.989 404 2HH2 ARG 55 2HH2 ARG 55 2.772 -4.424 -13.015 405 H ASN 56 H ASN 56 5.194 1.454 -13.697 406 HA ASN 56 HA ASN 56 7.924 0.276 -13.511 407 1HB ASN 56 1HB ASN 56 6.479 1.704 -15.772 408 2HB ASN 56 2HB ASN 56 8.192 1.232 -15.817 409 1HD2 ASN 56 1HD2 ASN 56 8.463 -0.536 -17.052 410 2HD2 ASN 56 2HD2 ASN 56 7.417 -1.940 -17.062 411 H LEU 57 H LEU 57 9.716 1.637 -13.336 412 HA LEU 57 HA LEU 57 9.128 4.242 -12.135 413 1HB LEU 57 1HB LEU 57 10.793 2.822 -11.080 414 2HB LEU 57 2HB LEU 57 11.704 2.692 -12.604 415 HG LEU 57 HG LEU 57 12.111 5.128 -12.577 416 1HD1 LEU 57 1HD1 LEU 57 9.915 5.121 -10.798 417 2HD1 LEU 57 2HD1 LEU 57 11.317 5.616 -9.819 418 3HD1 LEU 57 3HD1 LEU 57 10.893 6.525 -11.289 419 1HD2 LEU 57 1HD2 LEU 57 12.961 4.642 -9.833 420 2HD2 LEU 57 2HD2 LEU 57 13.207 3.194 -10.838 421 3HD2 LEU 57 3HD2 LEU 57 13.942 4.743 -11.314 422 H SER 58 H SER 58 11.173 3.006 -14.845 423 HA SER 58 HA SER 58 12.016 5.417 -15.900 424 1HB SER 58 1HB SER 58 12.368 2.896 -16.628 425 2HB SER 58 2HB SER 58 11.044 3.263 -17.760 426 HG SER 58 HG SER 58 12.379 4.404 -18.886 427 H ASP 59 H ASP 59 8.900 3.727 -16.497 428 HA ASP 59 HA ASP 59 7.942 6.167 -17.899 429 1HB ASP 59 1HB ASP 59 7.834 3.846 -18.976 430 2HB ASP 59 2HB ASP 59 6.600 3.451 -17.760 431 HA PRO 60 HA PRO 60 5.476 7.191 -14.399 432 1HB PRO 60 1HB PRO 60 3.671 8.861 -15.572 433 2HB PRO 60 2HB PRO 60 5.411 9.281 -15.455 434 1HG PRO 60 1HG PRO 60 3.980 8.014 -17.808 435 2HG PRO 60 2HG PRO 60 5.028 9.470 -17.828 436 1HD PRO 60 1HD PRO 60 6.007 7.005 -18.455 437 2HD PRO 60 2HD PRO 60 6.983 8.148 -17.483 438 H ARG 61 H ARG 61 4.995 4.602 -15.333 439 HA ARG 61 HA ARG 61 2.232 4.276 -16.127 440 1HB ARG 61 1HB ARG 61 4.599 2.604 -15.616 441 2HB ARG 61 2HB ARG 61 3.078 1.856 -15.070 442 1HG ARG 61 1HG ARG 61 2.229 2.776 -17.448 443 2HG ARG 61 2HG ARG 61 3.959 2.611 -17.837 444 1HD ARG 61 1HD ARG 61 3.752 0.377 -17.991 445 2HD ARG 61 2HD ARG 61 3.081 0.295 -16.348 446 HE ARG 61 HE ARG 61 1.003 1.197 -17.990 447 1HH1 ARG 61 1HH1 ARG 61 -0.173 -1.967 -19.014 448 2HH1 ARG 61 2HH1 ARG 61 -0.563 -0.270 -18.850 449 1HH2 ARG 61 1HH2 ARG 61 1.916 -2.746 -18.369 450 2HH2 ARG 61 2HH2 ARG 61 3.101 -1.635 -17.718 451 H LEU 62 H LEU 62 1.122 5.545 -14.515 452 HA LEU 62 HA LEU 62 1.329 4.760 -11.718 453 1HB LEU 62 1HB LEU 62 0.171 6.913 -13.294 454 2HB LEU 62 2HB LEU 62 -1.005 6.285 -12.116 455 HG LEU 62 HG LEU 62 0.702 8.157 -11.383 456 1HD1 LEU 62 1HD1 LEU 62 -0.571 7.426 -9.614 457 2HD1 LEU 62 2HD1 LEU 62 -0.283 5.708 -9.981 458 3HD1 LEU 62 3HD1 LEU 62 0.964 6.660 -9.139 459 1HD2 LEU 62 1HD2 LEU 62 2.572 6.486 -12.292 460 2HD2 LEU 62 2HD2 LEU 62 2.866 7.500 -10.860 461 3HD2 LEU 62 3HD2 LEU 62 2.412 5.790 -10.662 462 H GLU 63 H GLU 63 0.003 3.407 -10.587 463 HA GLU 63 HA GLU 63 -2.366 2.314 -12.008 464 1HB GLU 63 1HB GLU 63 -0.241 0.690 -10.554 465 2HB GLU 63 2HB GLU 63 -1.749 0.050 -11.249 466 1HG GLU 63 1HG GLU 63 0.536 1.392 -12.748 467 2HG GLU 63 2HG GLU 63 0.066 -0.320 -12.831 468 H THR 64 H THR 64 -4.141 2.045 -10.724 469 HA THR 64 HA THR 64 -3.747 2.635 -7.828 470 HB THR 64 HB THR 64 -6.268 3.286 -8.077 471 HG1 THR 64 1HG THR 64 -6.907 3.721 -10.093 472 1HG2 THR 64 1HG2 THR 64 -3.790 4.682 -8.347 473 2HG2 THR 64 2HG2 THR 64 -4.920 5.380 -9.532 474 3HG2 THR 64 3HG2 THR 64 -5.358 5.329 -7.807 475 H ILE 65 H ILE 65 -4.696 1.302 -6.316 476 HA ILE 65 HA ILE 65 -6.337 -0.953 -7.326 477 HB ILE 65 HB ILE 65 -3.868 -1.579 -7.118 478 1HG1 ILE 65 1HG1 ILE 65 -5.772 -3.023 -5.230 479 2HG1 ILE 65 2HG1 ILE 65 -5.826 -3.178 -7.002 480 1HG2 ILE 65 1HG2 ILE 65 -4.409 -1.579 -4.141 481 2HG2 ILE 65 2HG2 ILE 65 -2.852 -1.679 -4.998 482 3HG2 ILE 65 3HG2 ILE 65 -3.735 -0.135 -4.935 483 1HD1 ILE 65 1HD1 ILE 65 -3.988 -4.408 -5.074 484 2HD1 ILE 65 2HD1 ILE 65 -4.298 -4.832 -6.775 485 3HD1 ILE 65 3HD1 ILE 65 -3.125 -3.555 -6.376 486 H THR 66 H THR 66 -8.129 -1.201 -6.121 487 HA THR 66 HA THR 66 -8.197 0.181 -3.492 488 HB THR 66 HB THR 66 -10.358 -0.701 -5.437 489 HG1 THR 66 1HG THR 66 -9.170 1.282 -5.771 490 1HG2 THR 66 1HG2 THR 66 -10.849 0.803 -2.859 491 2HG2 THR 66 2HG2 THR 66 -12.001 -0.111 -3.862 492 3HG2 THR 66 3HG2 THR 66 -10.806 -0.977 -2.866 493 H LEU 67 H LEU 67 -8.090 -1.016 -1.694 494 HA LEU 67 HA LEU 67 -8.499 -3.936 -1.933 495 1HB LEU 67 1HB LEU 67 -7.446 -2.342 0.429 496 2HB LEU 67 2HB LEU 67 -7.283 -4.089 0.131 497 HG LEU 67 HG LEU 67 -6.242 -2.144 -1.925 498 1HD1 LEU 67 1HD1 LEU 67 -4.375 -3.086 0.216 499 2HD1 LEU 67 2HD1 LEU 67 -4.352 -1.582 -0.736 500 3HD1 LEU 67 3HD1 LEU 67 -5.473 -1.750 0.636 501 1HD2 LEU 67 1HD2 LEU 67 -6.390 -4.764 -2.044 502 2HD2 LEU 67 2HD2 LEU 67 -4.890 -3.957 -2.560 503 3HD2 LEU 67 3HD2 LEU 67 -4.984 -4.716 -0.953 504 H GLN 68 H GLN 68 -10.329 -4.876 -1.249 505 HA GLN 68 HA GLN 68 -12.353 -3.236 0.076 506 1HB GLN 68 1HB GLN 68 -12.314 -6.134 -0.853 507 2HB GLN 68 2HB GLN 68 -13.739 -5.296 -0.192 508 1HG GLN 68 1HG GLN 68 -12.230 -4.015 -2.457 509 2HG GLN 68 2HG GLN 68 -13.295 -5.392 -2.816 510 1HE2 GLN 68 1HE2 GLN 68 -13.130 -2.074 -1.560 511 2HE2 GLN 68 2HE2 GLN 68 -14.840 -1.725 -1.704 512 H LYS 69 H LYS 69 -13.673 -4.713 1.813 513 HA LYS 69 HA LYS 69 -12.158 -4.641 4.170 514 1HB LYS 69 1HB LYS 69 -14.521 -6.485 3.718 515 2HB LYS 69 2HB LYS 69 -14.044 -5.641 5.210 516 1HG LYS 69 1HG LYS 69 -14.342 -3.642 3.206 517 2HG LYS 69 2HG LYS 69 -15.756 -4.714 3.068 518 1HD LYS 69 1HD LYS 69 -16.115 -4.500 5.533 519 2HD LYS 69 2HD LYS 69 -14.757 -3.351 5.606 520 1HE LYS 69 1HE LYS 69 -16.533 -1.877 5.379 521 2HE LYS 69 2HE LYS 69 -16.113 -2.136 3.672 522 1HZ LYS 69 1HZ LYS 69 -18.412 -3.019 5.152 523 2HZ LYS 69 2HZ LYS 69 -18.271 -2.587 3.567 524 3HZ LYS 69 3HZ LYS 69 -17.805 -4.091 4.056 525 H TRP 70 H TRP 70 -10.708 -5.977 5.099 526 HA TRP 70 HA TRP 70 -9.298 -7.763 5.351 527 1HB TRP 70 1HB TRP 70 -11.674 -9.386 4.401 528 2HB TRP 70 2HB TRP 70 -10.319 -9.951 5.387 529 HD1 TRP 70 HD TRP 70 -13.763 -8.800 5.673 530 HE1 TRP 70 1HE TRP 70 -14.403 -8.231 8.072 531 HE3 TRP 70 3HE TRP 70 -9.085 -8.667 7.746 532 HZ2 TRP 70 2HZ TRP 70 -13.057 -7.771 10.592 533 HZ3 TRP 70 3HZ TRP 70 -8.804 -8.160 10.144 534 HH2 TRP 70 HH TRP 70 -10.774 -7.711 11.578 535 H GLY 71 H GLY 71 -9.446 -6.379 2.729 536 1HA GLY 71 1HA GLY 71 -9.040 -8.494 0.745 537 2HA GLY 71 2HA GLY 71 -8.926 -6.739 0.485 538 H SER 72 H SER 72 -7.048 -8.796 -0.421 539 HA SER 72 HA SER 72 -4.628 -7.721 0.917 540 1HB SER 72 1HB SER 72 -4.521 -10.568 0.070 541 2HB SER 72 2HB SER 72 -3.798 -9.766 1.485 542 HG SER 72 HG SER 72 -6.114 -9.592 2.184 543 H TRP 73 H TRP 73 -2.677 -7.940 -0.439 544 HA TRP 73 HA TRP 73 -3.361 -8.196 -3.328 545 1HB TRP 73 1HB TRP 73 -3.101 -5.824 -2.477 546 2HB TRP 73 2HB TRP 73 -1.414 -6.216 -2.119 547 HD1 TRP 73 HD TRP 73 -2.978 -7.572 -5.297 548 HE1 TRP 73 1HE TRP 73 -1.946 -6.452 -7.338 549 HE3 TRP 73 3HE TRP 73 -0.255 -3.939 -2.934 550 HZ2 TRP 73 2HZ TRP 73 -0.155 -4.246 -7.890 551 HZ3 TRP 73 3HZ TRP 73 1.100 -2.350 -4.249 552 HH2 TRP 73 HH TRP 73 1.161 -2.489 -6.721 553 H ASN 74 H ASN 74 -2.023 -9.474 -4.498 554 HA ASN 74 HA ASN 74 0.636 -10.127 -3.366 555 1HB ASN 74 1HB ASN 74 0.196 -12.543 -3.921 556 2HB ASN 74 2HB ASN 74 -0.757 -11.917 -2.559 557 1HD2 ASN 74 1HD2 ASN 74 -0.884 -13.621 -5.479 558 2HD2 ASN 74 2HD2 ASN 74 -2.604 -13.507 -5.785 559 HA PRO 75 HA PRO 75 0.609 -9.213 -7.919 560 1HB PRO 75 1HB PRO 75 2.538 -7.289 -7.888 561 2HB PRO 75 2HB PRO 75 0.839 -6.932 -7.434 562 1HG PRO 75 1HG PRO 75 3.140 -7.590 -5.573 563 2HG PRO 75 2HG PRO 75 2.028 -6.186 -5.474 564 1HD PRO 75 1HD PRO 75 1.593 -8.449 -4.018 565 2HD PRO 75 2HD PRO 75 0.224 -7.580 -4.775 566 H GLY 76 H GLY 76 3.827 -8.396 -6.709 567 1HA GLY 76 1HA GLY 76 5.140 -10.790 -6.513 568 2HA GLY 76 2HA GLY 76 4.997 -10.551 -8.270 569 H HIS 77 H HIS 77 5.803 -8.601 -5.335 570 HA HIS 77 HA HIS 77 7.544 -7.172 -4.923 571 1HB HIS 77 1HB HIS 77 8.961 -9.042 -5.652 572 2HB HIS 77 2HB HIS 77 8.773 -8.539 -7.342 573 HD1 HIS 77 1HD HIS 77 9.412 -5.513 -7.236 574 HD2 HIS 77 2HD HIS 77 11.406 -8.476 -4.990 575 HE1 HIS 77 1HE HIS 77 11.707 -4.540 -6.611 576 HE2 HIS 77 2HE HIS 77 12.909 -6.349 -5.248 577 H ILE 78 H ILE 78 6.463 -5.251 -5.303 578 HA ILE 78 HA ILE 78 6.271 -4.259 -8.069 579 HB ILE 78 HB ILE 78 5.371 -3.038 -5.429 580 1HG1 ILE 78 1HG1 ILE 78 4.403 -5.335 -6.489 581 2HG1 ILE 78 2HG1 ILE 78 3.370 -4.146 -5.660 582 1HG2 ILE 78 1HG2 ILE 78 3.925 -1.665 -6.945 583 2HG2 ILE 78 2HG2 ILE 78 5.662 -1.368 -7.195 584 3HG2 ILE 78 3HG2 ILE 78 4.759 -2.385 -8.343 585 1HD1 ILE 78 1HD1 ILE 78 2.648 -3.183 -7.723 586 2HD1 ILE 78 2HD1 ILE 78 3.929 -4.009 -8.643 587 3HD1 ILE 78 3HD1 ILE 78 2.571 -4.944 -7.972 588 H HIS 79 H HIS 79 7.220 -2.288 -8.764 589 HA HIS 79 HA HIS 79 9.884 -1.882 -8.142 590 1HB HIS 79 1HB HIS 79 9.109 -0.867 -10.095 591 2HB HIS 79 2HB HIS 79 7.720 -0.126 -9.280 592 HD1 HIS 79 1HD HIS 79 11.505 0.233 -8.448 593 HD2 HIS 79 2HD HIS 79 8.065 2.441 -9.493 594 HE1 HIS 79 1HE HIS 79 12.170 2.714 -8.361 595 HE2 HIS 79 2HE HIS 79 10.072 4.044 -8.996 596 H GLU 80 H GLU 80 7.457 0.615 -7.248 597 HA GLU 80 HA GLU 80 8.262 0.565 -4.456 598 1HB GLU 80 1HB GLU 80 10.168 1.760 -5.536 599 2HB GLU 80 2HB GLU 80 9.020 2.961 -6.172 600 1HG GLU 80 1HG GLU 80 8.374 2.774 -3.456 601 2HG GLU 80 2HG GLU 80 10.149 2.694 -3.480 602 H ILE 81 H ILE 81 6.879 1.826 -3.143 603 HA ILE 81 HA ILE 81 4.302 2.388 -4.387 604 HB ILE 81 HB ILE 81 5.327 2.628 -1.532 605 1HG1 ILE 81 1HG1 ILE 81 5.211 0.323 -2.505 606 2HG1 ILE 81 2HG1 ILE 81 4.049 0.570 -1.180 607 1HG2 ILE 81 1HG2 ILE 81 2.582 3.020 -2.780 608 2HG2 ILE 81 2HG2 ILE 81 2.810 2.668 -1.050 609 3HG2 ILE 81 3HG2 ILE 81 3.492 4.155 -1.753 610 1HD1 ILE 81 1HD1 ILE 81 2.543 1.373 -3.311 611 2HD1 ILE 81 2HD1 ILE 81 3.566 0.140 -4.086 612 3HD1 ILE 81 3HD1 ILE 81 2.557 -0.293 -2.685 613 H LEU 82 H LEU 82 3.382 4.371 -4.753 614 HA LEU 82 HA LEU 82 5.223 6.665 -4.667 615 1HB LEU 82 1HB LEU 82 2.400 6.434 -5.780 616 2HB LEU 82 2HB LEU 82 3.562 7.749 -6.079 617 HG LEU 82 HG LEU 82 3.464 4.991 -7.211 618 1HD1 LEU 82 1HD1 LEU 82 3.116 7.300 -8.363 619 2HD1 LEU 82 2HD1 LEU 82 4.887 7.451 -8.263 620 3HD1 LEU 82 3HD1 LEU 82 4.158 6.108 -9.177 621 1HD2 LEU 82 1HD2 LEU 82 5.479 4.674 -5.977 622 2HD2 LEU 82 2HD2 LEU 82 6.007 5.176 -7.602 623 3HD2 LEU 82 3HD2 LEU 82 6.009 6.349 -6.263 624 H SER 83 H SER 83 1.734 6.183 -3.859 625 HA SER 83 HA SER 83 2.190 7.579 -1.299 626 1HB SER 83 1HB SER 83 1.569 9.221 -3.218 627 2HB SER 83 2HB SER 83 -0.047 8.479 -3.124 628 HG SER 83 HG SER 83 1.224 10.183 -1.386 629 H ILE 84 H ILE 84 0.058 7.576 -0.005 630 HA ILE 84 HA ILE 84 -1.521 5.139 -0.658 631 HB ILE 84 HB ILE 84 -0.106 5.886 1.911 632 1HG1 ILE 84 1HG1 ILE 84 -0.408 3.252 0.410 633 2HG1 ILE 84 2HG1 ILE 84 0.957 4.373 0.194 634 1HG2 ILE 84 1HG2 ILE 84 -2.669 4.360 1.489 635 2HG2 ILE 84 2HG2 ILE 84 -1.525 3.794 2.731 636 3HG2 ILE 84 3HG2 ILE 84 -2.200 5.438 2.826 637 1HD1 ILE 84 1HD1 ILE 84 1.277 4.228 2.743 638 2HD1 ILE 84 2HD1 ILE 84 0.158 2.845 2.695 639 3HD1 ILE 84 3HD1 ILE 84 1.698 2.774 1.807 640 H ARG 85 H ARG 85 -3.680 5.432 -0.528 641 HA ARG 85 HA ARG 85 -4.631 7.883 0.879 642 1HB ARG 85 1HB ARG 85 -4.817 8.230 -1.509 643 2HB ARG 85 2HB ARG 85 -5.570 6.632 -1.729 644 1HG ARG 85 1HG ARG 85 -7.041 8.084 0.281 645 2HG ARG 85 2HG ARG 85 -6.858 9.118 -1.156 646 1HD ARG 85 1HD ARG 85 -7.576 7.077 -2.534 647 2HD ARG 85 2HD ARG 85 -8.047 6.328 -0.993 648 HE ARG 85 HE ARG 85 -9.942 7.636 -0.996 649 1HH1 ARG 85 1HH1 ARG 85 -10.703 10.539 -2.849 650 2HH1 ARG 85 2HH1 ARG 85 -11.315 9.344 -1.728 651 1HH2 ARG 85 1HH2 ARG 85 -8.512 10.408 -3.602 652 2HH2 ARG 85 2HH2 ARG 85 -7.472 9.115 -3.048 653 H ILE 86 H ILE 86 -6.165 7.569 2.398 654 HA ILE 86 HA ILE 86 -7.413 4.863 2.513 655 HB ILE 86 HB ILE 86 -6.852 6.792 4.798 656 1HG1 ILE 86 1HG1 ILE 86 -5.290 4.504 3.591 657 2HG1 ILE 86 2HG1 ILE 86 -4.707 6.084 4.168 658 1HG2 ILE 86 1HG2 ILE 86 -7.945 5.310 6.126 659 2HG2 ILE 86 2HG2 ILE 86 -8.659 4.696 4.615 660 3HG2 ILE 86 3HG2 ILE 86 -7.220 3.908 5.303 661 1HD1 ILE 86 1HD1 ILE 86 -5.202 3.572 5.674 662 2HD1 ILE 86 2HD1 ILE 86 -4.074 4.905 6.018 663 3HD1 ILE 86 3HD1 ILE 86 -5.790 5.052 6.468 664 H TYR 87 H TYR 87 -9.614 4.727 2.635 665 HA TYR 87 HA TYR 87 -11.099 7.196 2.118 666 1HB TYR 87 1HB TYR 87 -11.759 4.247 2.183 667 2HB TYR 87 2HB TYR 87 -13.026 5.479 2.056 668 HD1 TYR 87 1HD TYR 87 -13.701 6.177 -0.050 669 HD2 TYR 87 2HD TYR 87 -9.778 4.496 0.441 670 HE1 TYR 87 1HE TYR 87 -13.345 6.291 -2.502 671 HE2 TYR 87 2HE TYR 87 -9.422 4.610 -2.010 672 HH TYR 87 HH TYR 87 -10.256 5.718 -4.001 Start of MODEL 19 1 H MET 1 H MET 1 -5.401 11.996 9.307 2 HA MET 1 HA MET 1 -3.775 12.265 7.582 3 1HB MET 1 1HB MET 1 -2.525 13.708 9.684 4 2HB MET 1 2HB MET 1 -1.367 12.459 9.168 5 1HG MET 1 1HG MET 1 -1.129 13.340 7.079 6 2HG MET 1 2HG MET 1 -2.820 13.860 6.989 7 1HE MET 1 1HE MET 1 -2.957 17.396 7.849 8 2HE MET 1 2HE MET 1 -2.898 16.503 6.311 9 3HE MET 1 3HE MET 1 -3.798 15.835 7.693 10 H ILE 2 H ILE 2 -1.918 10.804 6.933 11 HA ILE 2 HA ILE 2 -2.339 8.185 8.227 12 HB ILE 2 HB ILE 2 -2.582 8.425 5.764 13 1HG1 ILE 2 1HG1 ILE 2 -0.161 6.791 6.637 14 2HG1 ILE 2 2HG1 ILE 2 -1.859 6.275 6.773 15 1HG2 ILE 2 1HG2 ILE 2 -1.092 9.633 4.581 16 2HG2 ILE 2 2HG2 ILE 2 -0.204 9.970 6.086 17 3HG2 ILE 2 3HG2 ILE 2 0.225 8.553 5.098 18 1HD1 ILE 2 1HD1 ILE 2 -0.441 5.528 4.682 19 2HD1 ILE 2 2HD1 ILE 2 -2.120 6.072 4.453 20 3HD1 ILE 2 3HD1 ILE 2 -0.770 7.179 4.104 21 H ASN 3 H ASN 3 -0.747 7.037 9.261 22 HA ASN 3 HA ASN 3 1.991 8.168 9.262 23 1HB ASN 3 1HB ASN 3 0.066 8.176 11.486 24 2HB ASN 3 2HB ASN 3 1.608 7.392 11.894 25 1HD2 ASN 3 1HD2 ASN 3 2.333 9.040 13.277 26 2HD2 ASN 3 2HD2 ASN 3 2.802 10.620 12.687 27 H ARG 4 H ARG 4 3.621 6.639 9.850 28 HA ARG 4 HA ARG 4 2.956 3.937 9.053 29 1HB ARG 4 1HB ARG 4 5.394 5.517 9.723 30 2HB ARG 4 2HB ARG 4 5.494 3.758 9.977 31 1HG ARG 4 1HG ARG 4 4.711 3.380 7.658 32 2HG ARG 4 2HG ARG 4 4.614 5.139 7.404 33 1HD ARG 4 1HD ARG 4 7.207 4.388 8.493 34 2HD ARG 4 2HD ARG 4 6.863 3.479 7.006 35 HE ARG 4 HE ARG 4 6.172 6.119 6.439 36 1HH1 ARG 4 1HH1 ARG 4 9.377 7.283 5.537 37 2HH1 ARG 4 2HH1 ARG 4 7.656 7.569 5.420 38 1HH2 ARG 4 1HH2 ARG 4 10.172 5.450 6.717 39 2HH2 ARG 4 2HH2 ARG 4 9.049 4.352 7.489 40 H THR 5 H THR 5 1.939 2.559 10.389 41 HA THR 5 HA THR 5 2.715 2.634 13.268 42 HB THR 5 HB THR 5 0.378 3.347 12.847 43 HG1 THR 5 1HG THR 5 -0.472 1.964 14.343 44 1HG2 THR 5 1HG2 THR 5 -1.178 1.424 12.071 45 2HG2 THR 5 2HG2 THR 5 -0.212 2.250 10.825 46 3HG2 THR 5 3HG2 THR 5 0.301 0.660 11.440 47 H ASP 6 H ASP 6 2.918 0.612 14.349 48 HA ASP 6 HA ASP 6 3.752 -1.548 12.528 49 1HB ASP 6 1HB ASP 6 4.142 -0.879 15.441 50 2HB ASP 6 2HB ASP 6 4.405 -2.541 14.869 51 H CYS 7 H CYS 7 0.918 -0.931 12.691 52 HA CYS 7 HA CYS 7 -1.110 -1.929 13.108 53 1HB CYS 7 1HB CYS 7 -0.612 -4.631 13.098 54 2HB CYS 7 2HB CYS 7 -0.857 -3.625 11.662 55 H ASN 8 H ASN 8 -1.435 -1.200 15.254 56 HA ASN 8 HA ASN 8 -0.408 -2.792 17.474 57 1HB ASN 8 1HB ASN 8 -2.345 -0.454 17.315 58 2HB ASN 8 2HB ASN 8 -1.758 -1.179 18.827 59 1HD2 ASN 8 1HD2 ASN 8 -0.742 0.503 15.836 60 2HD2 ASN 8 2HD2 ASN 8 0.737 1.168 16.494 61 H GLU 9 H GLU 9 -3.558 -2.189 15.859 62 HA GLU 9 HA GLU 9 -4.621 -4.547 17.344 63 1HB GLU 9 1HB GLU 9 -6.826 -3.515 17.157 64 2HB GLU 9 2HB GLU 9 -5.699 -2.380 17.937 65 1HG GLU 9 1HG GLU 9 -5.335 -1.249 15.771 66 2HG GLU 9 2HG GLU 9 -6.453 -2.385 14.985 67 H ASN 10 H ASN 10 -6.679 -5.386 16.010 68 HA ASN 10 HA ASN 10 -5.568 -6.165 13.406 69 1HB ASN 10 1HB ASN 10 -7.827 -7.080 15.180 70 2HB ASN 10 2HB ASN 10 -7.787 -7.560 13.469 71 1HD2 ASN 10 1HD2 ASN 10 -6.004 -7.663 16.562 72 2HD2 ASN 10 2HD2 ASN 10 -5.022 -9.057 16.164 73 H SER 11 H SER 11 -6.957 -6.150 11.459 74 HA SER 11 HA SER 11 -8.447 -5.168 10.004 75 1HB SER 11 1HB SER 11 -10.409 -4.235 10.790 76 2HB SER 11 2HB SER 11 -9.896 -5.132 12.239 77 HG SER 11 HG SER 11 -10.064 -2.435 11.804 78 H TYR 12 H TYR 12 -6.405 -4.247 9.210 79 HA TYR 12 HA TYR 12 -6.588 -1.363 9.057 80 1HB TYR 12 1HB TYR 12 -4.746 -2.650 10.956 81 2HB TYR 12 2HB TYR 12 -3.942 -1.549 9.825 82 HD1 TYR 12 1HD TYR 12 -6.194 0.442 9.457 83 HD2 TYR 12 2HD TYR 12 -4.578 -1.424 12.973 84 HE1 TYR 12 1HE TYR 12 -6.927 2.379 10.822 85 HE2 TYR 12 2HE TYR 12 -5.311 0.513 14.338 86 HH TYR 12 HH TYR 12 -7.299 2.426 14.006 87 H LEU 13 H LEU 13 -4.578 -0.533 7.751 88 HA LEU 13 HA LEU 13 -4.272 -2.416 5.502 89 1HB LEU 13 1HB LEU 13 -4.951 -0.278 4.778 90 2HB LEU 13 2HB LEU 13 -3.854 0.553 5.907 91 HG LEU 13 HG LEU 13 -2.025 -0.855 4.507 92 1HD1 LEU 13 1HD1 LEU 13 -3.225 -1.947 2.863 93 2HD1 LEU 13 2HD1 LEU 13 -4.512 -0.717 2.836 94 3HD1 LEU 13 3HD1 LEU 13 -2.958 -0.398 2.028 95 1HD2 LEU 13 1HD2 LEU 13 -3.122 1.841 4.471 96 2HD2 LEU 13 2HD2 LEU 13 -1.436 1.310 4.261 97 3HD2 LEU 13 3HD2 LEU 13 -2.527 1.386 2.857 98 H GLU 14 H GLU 14 -2.389 -3.407 4.970 99 HA GLU 14 HA GLU 14 0.112 -2.446 6.223 100 1HB GLU 14 1HB GLU 14 -0.672 -5.373 6.311 101 2HB GLU 14 2HB GLU 14 0.659 -4.556 7.165 102 1HG GLU 14 1HG GLU 14 -0.873 -4.637 8.885 103 2HG GLU 14 2HG GLU 14 -1.369 -3.102 8.140 104 H ILE 15 H ILE 15 1.951 -2.877 5.006 105 HA ILE 15 HA ILE 15 1.548 -4.417 2.497 106 HB ILE 15 HB ILE 15 2.932 -1.715 2.691 107 1HG1 ILE 15 1HG1 ILE 15 0.347 -2.283 1.227 108 2HG1 ILE 15 2HG1 ILE 15 0.327 -1.860 2.956 109 1HG2 ILE 15 1HG2 ILE 15 3.824 -2.357 0.721 110 2HG2 ILE 15 2HG2 ILE 15 2.885 -3.869 0.738 111 3HG2 ILE 15 3HG2 ILE 15 2.177 -2.389 0.048 112 1HD1 ILE 15 1HD1 ILE 15 0.330 -0.027 0.902 113 2HD1 ILE 15 2HD1 ILE 15 0.899 0.309 2.554 114 3HD1 ILE 15 3HD1 ILE 15 2.065 -0.134 1.284 115 H HIS 16 H HIS 16 3.056 -5.961 2.332 116 HA HIS 16 HA HIS 16 5.662 -5.493 3.705 117 1HB HIS 16 1HB HIS 16 5.748 -7.901 4.098 118 2HB HIS 16 2HB HIS 16 4.278 -7.210 4.809 119 HD1 HIS 16 1HD HIS 16 5.387 -9.821 2.348 120 HD2 HIS 16 2HD HIS 16 1.921 -7.641 3.366 121 HE1 HIS 16 1HE HIS 16 3.405 -11.046 1.264 122 HE2 HIS 16 2HE HIS 16 1.306 -9.713 1.889 123 H ASN 17 H ASN 17 7.013 -4.887 2.080 124 HA ASN 17 HA ASN 17 6.861 -6.377 -0.480 125 1HB ASN 17 1HB ASN 17 8.364 -4.548 -1.287 126 2HB ASN 17 2HB ASN 17 6.796 -3.964 -0.688 127 1HD2 ASN 17 1HD2 ASN 17 6.686 -2.716 1.201 128 2HD2 ASN 17 2HD2 ASN 17 8.112 -2.083 1.995 129 H ASN 18 H ASN 18 9.403 -6.180 -1.424 130 HA ASN 18 HA ASN 18 11.411 -7.277 -1.376 131 1HB ASN 18 1HB ASN 18 11.160 -6.298 1.476 132 2HB ASN 18 2HB ASN 18 12.581 -7.214 0.929 133 1HD2 ASN 18 1HD2 ASN 18 11.953 -4.248 1.717 134 2HD2 ASN 18 2HD2 ASN 18 12.723 -3.331 0.440 135 H GLU 19 H GLU 19 9.021 -8.861 -1.165 136 HA GLU 19 HA GLU 19 8.468 -11.055 -0.817 137 1HB GLU 19 1HB GLU 19 11.397 -11.204 -0.018 138 2HB GLU 19 2HB GLU 19 10.330 -12.623 -0.138 139 1HG GLU 19 1HG GLU 19 9.855 -12.068 -2.500 140 2HG GLU 19 2HG GLU 19 10.915 -10.646 -2.381 141 H GLY 20 H GLY 20 8.578 -8.841 1.375 142 1HA GLY 20 1HA GLY 20 7.391 -8.954 3.422 143 2HA GLY 20 2HA GLY 20 7.794 -10.680 3.557 144 H ARG 21 H ARG 21 9.950 -7.896 2.861 145 HA ARG 21 HA ARG 21 11.653 -8.763 5.119 146 1HB ARG 21 1HB ARG 21 12.436 -8.290 2.668 147 2HB ARG 21 2HB ARG 21 12.315 -6.579 3.142 148 1HG ARG 21 1HG ARG 21 13.896 -8.694 4.663 149 2HG ARG 21 2HG ARG 21 14.602 -7.531 3.516 150 1HD ARG 21 1HD ARG 21 13.224 -5.808 5.066 151 2HD ARG 21 2HD ARG 21 13.503 -7.090 6.265 152 HE ARG 21 HE ARG 21 15.885 -6.305 4.764 153 1HH1 ARG 21 1HH1 ARG 21 17.224 -4.719 7.616 154 2HH1 ARG 21 2HH1 ARG 21 17.558 -5.299 6.001 155 1HH2 ARG 21 1HH2 ARG 21 15.099 -4.958 8.518 156 2HH2 ARG 21 2HH2 ARG 21 13.832 -5.719 7.582 157 H ASP 22 H ASP 22 9.948 -5.884 3.818 158 HA ASP 22 HA ASP 22 10.090 -4.726 6.559 159 1HB ASP 22 1HB ASP 22 10.533 -3.385 3.873 160 2HB ASP 22 2HB ASP 22 10.160 -2.479 5.355 161 H THR 23 H THR 23 8.086 -4.628 7.378 162 HA THR 23 HA THR 23 5.817 -4.392 5.476 163 HB THR 23 HB THR 23 5.718 -5.082 8.430 164 HG1 THR 23 1HG THR 23 6.038 -6.745 6.151 165 1HG2 THR 23 1HG2 THR 23 3.668 -6.383 7.276 166 2HG2 THR 23 2HG2 THR 23 3.531 -4.687 7.799 167 3HG2 THR 23 3HG2 THR 23 3.844 -5.069 6.088 168 H LEU 24 H LEU 24 4.148 -2.856 5.852 169 HA LEU 24 HA LEU 24 4.793 -0.719 7.807 170 1HB LEU 24 1HB LEU 24 3.867 -0.056 5.008 171 2HB LEU 24 2HB LEU 24 4.662 0.993 6.207 172 HG LEU 24 HG LEU 24 6.386 -1.247 5.705 173 1HD1 LEU 24 1HD1 LEU 24 6.088 0.217 3.130 174 2HD1 LEU 24 2HD1 LEU 24 6.494 -1.490 3.433 175 3HD1 LEU 24 3HD1 LEU 24 4.798 -0.953 3.501 176 1HD2 LEU 24 1HD2 LEU 24 7.868 0.608 4.839 177 2HD2 LEU 24 2HD2 LEU 24 6.482 1.714 4.995 178 3HD2 LEU 24 3HD2 LEU 24 7.164 0.931 6.441 179 H CYS 25 H CYS 25 3.080 -0.626 9.128 180 HA CYS 25 HA CYS 25 0.404 -1.254 8.002 181 1HB CYS 25 1HB CYS 25 1.067 -0.902 10.921 182 2HB CYS 25 2HB CYS 25 -0.248 -1.828 10.180 183 H PHE 26 H PHE 26 -0.876 0.413 7.484 184 HA PHE 26 HA PHE 26 -0.362 3.018 8.831 185 1HB PHE 26 1HB PHE 26 -1.652 2.342 6.167 186 2HB PHE 26 2HB PHE 26 -1.537 3.973 6.849 187 HD1 PHE 26 1HD PHE 26 0.220 1.295 5.106 188 HD2 PHE 26 2HD PHE 26 0.689 5.060 7.119 189 HE1 PHE 26 1HE PHE 26 2.463 1.563 4.082 190 HE2 PHE 26 2HE PHE 26 2.932 5.329 6.095 191 HZ PHE 26 HZ PHE 26 3.819 3.580 4.576 192 H ALA 27 H ALA 27 -2.233 4.329 9.388 193 HA ALA 27 HA ALA 27 -4.782 2.841 9.603 194 1HB ALA 27 1HB ALA 27 -4.972 3.536 11.989 195 2HB ALA 27 2HB ALA 27 -3.625 2.406 11.712 196 3HB ALA 27 3HB ALA 27 -3.301 4.144 11.921 197 H ASN 28 H ASN 28 -6.490 4.444 10.605 198 HA ASN 28 HA ASN 28 -7.647 6.410 10.400 199 1HB ASN 28 1HB ASN 28 -4.801 7.405 10.218 200 2HB ASN 28 2HB ASN 28 -6.169 8.515 9.985 201 1HD2 ASN 28 1HD2 ASN 28 -7.890 8.471 11.731 202 2HD2 ASN 28 2HD2 ASN 28 -7.348 8.282 13.385 203 H ALA 29 H ALA 29 -8.710 7.538 8.764 204 HA ALA 29 HA ALA 29 -8.395 6.525 6.124 205 1HB ALA 29 1HB ALA 29 -10.283 7.769 5.641 206 2HB ALA 29 2HB ALA 29 -10.417 7.680 7.414 207 3HB ALA 29 3HB ALA 29 -9.764 9.146 6.644 208 H GLY 30 H GLY 30 -6.500 8.721 7.835 209 1HA GLY 30 1HA GLY 30 -5.912 10.857 6.242 210 2HA GLY 30 2HA GLY 30 -4.662 9.919 7.092 211 H THR 31 H THR 31 -4.341 11.273 4.545 212 HA THR 31 HA THR 31 -3.597 8.907 2.925 213 HB THR 31 HB THR 31 -5.205 11.308 1.985 214 HG1 THR 31 1HG THR 31 -6.740 9.892 1.943 215 1HG2 THR 31 1HG2 THR 31 -4.920 10.353 -0.291 216 2HG2 THR 31 2HG2 THR 31 -3.362 10.859 0.405 217 3HG2 THR 31 3HG2 THR 31 -3.802 9.135 0.370 218 H MET 32 H MET 32 -1.469 9.021 2.560 219 HA MET 32 HA MET 32 -0.293 11.662 1.926 220 1HB MET 32 1HB MET 32 1.433 11.471 3.539 221 2HB MET 32 2HB MET 32 -0.058 11.065 4.423 222 1HG MET 32 1HG MET 32 0.417 8.632 3.871 223 2HG MET 32 2HG MET 32 2.005 9.152 3.283 224 1HE MET 32 1HE MET 32 3.242 7.365 6.165 225 2HE MET 32 2HE MET 32 1.510 6.972 6.286 226 3HE MET 32 3HE MET 32 2.281 7.114 4.688 227 HA PRO 33 HA PRO 33 1.916 9.370 -1.093 228 1HB PRO 33 1HB PRO 33 4.229 10.787 -1.343 229 2HB PRO 33 2HB PRO 33 2.637 11.492 -1.774 230 1HG PRO 33 1HG PRO 33 4.132 11.792 0.847 231 2HG PRO 33 2HG PRO 33 3.461 13.101 -0.179 232 1HD PRO 33 1HD PRO 33 2.074 12.109 1.947 233 2HD PRO 33 2HD PRO 33 1.228 12.520 0.423 234 H VAL 34 H VAL 34 3.046 7.492 -1.040 235 HA VAL 34 HA VAL 34 5.167 7.197 1.023 236 HB VAL 34 HB VAL 34 4.328 5.012 1.629 237 1HG1 VAL 34 1HG1 VAL 34 1.863 6.774 1.535 238 2HG1 VAL 34 2HG1 VAL 34 2.388 5.662 2.821 239 3HG1 VAL 34 3HG1 VAL 34 3.259 7.192 2.557 240 1HG2 VAL 34 1HG2 VAL 34 1.899 4.550 0.566 241 2HG2 VAL 34 2HG2 VAL 34 2.606 5.474 -0.781 242 3HG2 VAL 34 3HG2 VAL 34 3.394 3.982 -0.214 243 H ALA 35 H ALA 35 6.654 5.381 0.532 244 HA ALA 35 HA ALA 35 6.715 4.754 -2.380 245 1HB ALA 35 1HB ALA 35 8.764 5.671 -2.616 246 2HB ALA 35 2HB ALA 35 8.439 6.506 -1.078 247 3HB ALA 35 3HB ALA 35 9.342 4.972 -1.085 248 H ILE 36 H ILE 36 6.347 2.617 -2.513 249 HA ILE 36 HA ILE 36 7.876 0.858 -0.661 250 HB ILE 36 HB ILE 36 4.955 0.744 -1.460 251 1HG1 ILE 36 1HG1 ILE 36 5.760 0.035 1.266 252 2HG1 ILE 36 2HG1 ILE 36 6.332 1.656 0.805 253 1HG2 ILE 36 1HG2 ILE 36 6.878 -1.454 -0.993 254 2HG2 ILE 36 2HG2 ILE 36 5.434 -1.523 0.046 255 3HG2 ILE 36 3HG2 ILE 36 5.256 -1.495 -1.725 256 1HD1 ILE 36 1HD1 ILE 36 3.715 0.924 1.606 257 2HD1 ILE 36 2HD1 ILE 36 4.242 2.493 0.952 258 3HD1 ILE 36 3HD1 ILE 36 3.617 1.237 -0.143 259 H TYR 37 H TYR 37 9.374 -0.110 -1.905 260 HA TYR 37 HA TYR 37 8.620 -0.828 -4.688 261 1HB TYR 37 1HB TYR 37 11.357 -0.762 -3.381 262 2HB TYR 37 2HB TYR 37 11.000 -0.949 -5.106 263 HD1 TYR 37 1HD TYR 37 10.700 1.431 -2.241 264 HD2 TYR 37 2HD TYR 37 10.783 0.930 -6.506 265 HE1 TYR 37 1HE TYR 37 10.803 3.892 -2.528 266 HE2 TYR 37 2HE TYR 37 10.886 3.391 -6.793 267 HH TYR 37 HH TYR 37 10.537 5.451 -5.671 268 H GLY 38 H GLY 38 8.701 -2.940 -5.406 269 1HA GLY 38 1HA GLY 38 8.954 -5.236 -5.300 270 2HA GLY 38 2HA GLY 38 9.868 -5.046 -3.787 271 H VAL 39 H VAL 39 6.505 -4.416 -4.955 272 HA VAL 39 HA VAL 39 5.428 -5.109 -2.333 273 HB VAL 39 HB VAL 39 4.023 -4.525 -4.970 274 1HG1 VAL 39 1HG1 VAL 39 2.413 -3.698 -2.887 275 2HG1 VAL 39 2HG1 VAL 39 2.252 -5.253 -3.739 276 3HG1 VAL 39 3HG1 VAL 39 3.160 -5.165 -2.211 277 1HG2 VAL 39 1HG2 VAL 39 5.557 -2.838 -3.199 278 2HG2 VAL 39 2HG2 VAL 39 4.660 -2.385 -4.668 279 3HG2 VAL 39 3HG2 VAL 39 3.838 -2.385 -3.089 280 H ASN 40 H ASN 40 5.140 -7.159 -1.702 281 HA ASN 40 HA ASN 40 4.784 -9.230 -3.799 282 1HB ASN 40 1HB ASN 40 5.785 -9.212 -0.955 283 2HB ASN 40 2HB ASN 40 5.171 -10.716 -1.674 284 1HD2 ASN 40 1HD2 ASN 40 7.068 -7.964 -3.036 285 2HD2 ASN 40 2HD2 ASN 40 8.401 -8.944 -3.607 286 H TRP 41 H TRP 41 3.367 -7.902 -0.791 287 HA TRP 41 HA TRP 41 0.722 -8.714 -1.656 288 1HB TRP 41 1HB TRP 41 1.463 -10.841 -0.780 289 2HB TRP 41 2HB TRP 41 2.058 -10.075 0.700 290 HD1 TRP 41 HD TRP 41 -0.164 -8.580 1.921 291 HE1 TRP 41 1HE TRP 41 -2.405 -9.577 2.605 292 HE3 TRP 41 3HE TRP 41 -0.171 -12.704 -1.110 293 HZ2 TRP 41 2HZ TRP 41 -4.015 -11.885 1.926 294 HZ3 TRP 41 3HZ TRP 41 -2.072 -14.276 -1.063 295 HH2 TRP 41 HH TRP 41 -3.997 -13.882 0.445 296 H VAL 42 H VAL 42 -0.939 -7.751 -0.367 297 HA VAL 42 HA VAL 42 0.019 -5.899 1.746 298 HB VAL 42 HB VAL 42 -1.500 -5.231 -0.783 299 1HG1 VAL 42 1HG1 VAL 42 -2.107 -3.071 0.292 300 2HG1 VAL 42 2HG1 VAL 42 -2.892 -4.452 1.096 301 3HG1 VAL 42 3HG1 VAL 42 -1.473 -3.677 1.841 302 1HG2 VAL 42 1HG2 VAL 42 0.131 -3.144 -0.232 303 2HG2 VAL 42 2HG2 VAL 42 1.021 -4.433 0.614 304 3HG2 VAL 42 3HG2 VAL 42 0.680 -4.582 -1.126 305 H GLU 43 H GLU 43 -1.463 -5.529 3.398 306 HA GLU 43 HA GLU 43 -3.806 -7.351 3.350 307 1HB GLU 43 1HB GLU 43 -2.315 -5.975 5.617 308 2HB GLU 43 2HB GLU 43 -3.762 -6.990 5.828 309 1HG GLU 43 1HG GLU 43 -2.210 -8.622 4.275 310 2HG GLU 43 2HG GLU 43 -0.962 -7.765 5.205 311 H SER 44 H SER 44 -5.840 -6.575 4.285 312 HA SER 44 HA SER 44 -6.200 -3.684 4.517 313 1HB SER 44 1HB SER 44 -7.646 -5.228 2.331 314 2HB SER 44 2HB SER 44 -7.806 -3.496 2.707 315 HG SER 44 HG SER 44 -5.775 -3.144 1.986 316 H GLY 45 H GLY 45 -6.774 -4.397 6.670 317 1HA GLY 45 1HA GLY 45 -8.590 -6.314 7.428 318 2HA GLY 45 2HA GLY 45 -8.441 -4.735 8.232 319 H ASN 46 H ASN 46 -10.840 -5.266 8.581 320 HA ASN 46 HA ASN 46 -12.650 -5.151 6.372 321 1HB ASN 46 1HB ASN 46 -13.001 -5.957 8.817 322 2HB ASN 46 2HB ASN 46 -13.290 -4.242 9.183 323 1HD2 ASN 46 1HD2 ASN 46 -15.316 -3.467 8.920 324 2HD2 ASN 46 2HD2 ASN 46 -16.582 -4.247 7.996 325 H ASN 47 H ASN 47 -11.005 -3.236 5.590 326 HA ASN 47 HA ASN 47 -12.668 -0.828 5.797 327 1HB ASN 47 1HB ASN 47 -10.425 0.479 6.175 328 2HB ASN 47 2HB ASN 47 -11.286 -0.216 7.566 329 1HD2 ASN 47 1HD2 ASN 47 -8.631 -0.801 5.227 330 2HD2 ASN 47 2HD2 ASN 47 -7.691 -1.839 6.279 331 H VAL 48 H VAL 48 -12.490 0.497 3.989 332 HA VAL 48 HA VAL 48 -11.090 -0.746 1.715 333 HB VAL 48 HB VAL 48 -12.942 1.667 1.793 334 1HG1 VAL 48 1HG1 VAL 48 -12.553 -0.202 -0.535 335 2HG1 VAL 48 2HG1 VAL 48 -12.983 1.525 -0.528 336 3HG1 VAL 48 3HG1 VAL 48 -11.305 1.023 -0.206 337 1HG2 VAL 48 1HG2 VAL 48 -14.328 -0.043 2.583 338 2HG2 VAL 48 2HG2 VAL 48 -14.529 -0.211 0.822 339 3HG2 VAL 48 3HG2 VAL 48 -13.439 -1.309 1.703 340 H VAL 49 H VAL 49 -9.164 -0.054 1.001 341 HA VAL 49 HA VAL 49 -8.395 2.761 1.544 342 HB VAL 49 HB VAL 49 -6.811 0.251 2.188 343 1HG1 VAL 49 1HG1 VAL 49 -5.629 2.240 0.886 344 2HG1 VAL 49 2HG1 VAL 49 -5.705 3.040 2.475 345 3HG1 VAL 49 3HG1 VAL 49 -4.842 1.493 2.297 346 1HG2 VAL 49 1HG2 VAL 49 -8.206 0.949 4.012 347 2HG2 VAL 49 2HG2 VAL 49 -6.572 1.554 4.378 348 3HG2 VAL 49 3HG2 VAL 49 -7.811 2.664 3.745 349 H THR 50 H THR 50 -7.292 3.733 -0.119 350 HA THR 50 HA THR 50 -7.035 2.108 -2.581 351 HB THR 50 HB THR 50 -7.346 5.034 -1.942 352 HG1 THR 50 1HG THR 50 -8.795 4.677 -3.795 353 1HG2 THR 50 1HG2 THR 50 -5.351 4.903 -3.396 354 2HG2 THR 50 2HG2 THR 50 -6.248 3.877 -4.541 355 3HG2 THR 50 3HG2 THR 50 -6.741 5.568 -4.287 356 H LEU 51 H LEU 51 -5.103 1.579 -3.445 357 HA LEU 51 HA LEU 51 -2.690 2.700 -2.106 358 1HB LEU 51 1HB LEU 51 -3.349 0.024 -3.341 359 2HB LEU 51 2HB LEU 51 -1.659 0.564 -3.205 360 HG LEU 51 HG LEU 51 -3.671 0.052 -0.997 361 1HD1 LEU 51 1HD1 LEU 51 -1.241 -0.893 -0.191 362 2HD1 LEU 51 2HD1 LEU 51 -2.414 -1.857 -1.120 363 3HD1 LEU 51 3HD1 LEU 51 -1.072 -1.040 -1.957 364 1HD2 LEU 51 1HD2 LEU 51 -1.212 1.832 -0.983 365 2HD2 LEU 51 2HD2 LEU 51 -2.847 2.196 -0.381 366 3HD2 LEU 51 3HD2 LEU 51 -1.810 1.048 0.499 367 H GLN 52 H GLN 52 -1.401 3.997 -3.271 368 HA GLN 52 HA GLN 52 -1.763 3.976 -6.230 369 1HB GLN 52 1HB GLN 52 -1.245 6.154 -4.210 370 2HB GLN 52 2HB GLN 52 -0.691 6.354 -5.890 371 1HG GLN 52 1HG GLN 52 -3.227 5.422 -6.300 372 2HG GLN 52 2HG GLN 52 -3.450 6.312 -4.778 373 1HE2 GLN 52 1HE2 GLN 52 -1.850 6.669 -7.997 374 2HE2 GLN 52 2HE2 GLN 52 -2.246 8.363 -8.196 375 H PHE 53 H PHE 53 -0.156 2.816 -7.136 376 HA PHE 53 HA PHE 53 2.613 3.447 -6.266 377 1HB PHE 53 1HB PHE 53 3.212 1.096 -6.408 378 2HB PHE 53 2HB PHE 53 1.917 1.323 -5.221 379 HD1 PHE 53 1HD PHE 53 -0.424 0.661 -5.787 380 HD2 PHE 53 2HD PHE 53 2.895 -0.247 -8.357 381 HE1 PHE 53 1HE PHE 53 -1.797 -1.040 -6.958 382 HE2 PHE 53 2HE PHE 53 1.522 -1.949 -9.528 383 HZ PHE 53 HZ PHE 53 -0.824 -2.345 -8.828 384 H GLN 54 H GLN 54 4.219 3.086 -7.931 385 HA GLN 54 HA GLN 54 3.025 3.337 -10.639 386 1HB GLN 54 1HB GLN 54 4.736 5.007 -9.416 387 2HB GLN 54 2HB GLN 54 5.920 3.868 -10.101 388 1HG GLN 54 1HG GLN 54 5.160 4.251 -12.324 389 2HG GLN 54 2HG GLN 54 3.669 5.038 -11.764 390 1HE2 GLN 54 1HE2 GLN 54 7.004 5.454 -12.626 391 2HE2 GLN 54 2HE2 GLN 54 7.116 7.170 -12.298 392 H ARG 55 H ARG 55 2.953 1.484 -11.760 393 HA ARG 55 HA ARG 55 4.261 -0.894 -11.124 394 1HB ARG 55 1HB ARG 55 2.347 -0.548 -12.741 395 2HB ARG 55 2HB ARG 55 3.539 0.036 -13.926 396 1HG ARG 55 1HG ARG 55 4.432 -2.055 -14.260 397 2HG ARG 55 2HG ARG 55 4.162 -2.555 -12.574 398 1HD ARG 55 1HD ARG 55 1.588 -2.140 -13.643 399 2HD ARG 55 2HD ARG 55 2.488 -2.981 -14.923 400 HE ARG 55 HE ARG 55 1.605 -4.083 -12.397 401 1HH1 ARG 55 1HH1 ARG 55 3.417 -7.066 -12.903 402 2HH1 ARG 55 2HH1 ARG 55 2.161 -6.285 -11.970 403 1HH2 ARG 55 1HH2 ARG 55 4.526 -5.892 -14.570 404 2HH2 ARG 55 2HH2 ARG 55 4.105 -4.225 -14.893 405 H ASN 56 H ASN 56 5.204 1.483 -13.677 406 HA ASN 56 HA ASN 56 7.969 0.386 -13.475 407 1HB ASN 56 1HB ASN 56 6.440 1.650 -15.772 408 2HB ASN 56 2HB ASN 56 8.197 1.386 -15.800 409 1HD2 ASN 56 1HD2 ASN 56 8.564 -0.293 -17.154 410 2HD2 ASN 56 2HD2 ASN 56 7.741 -1.837 -17.088 411 H LEU 57 H LEU 57 9.702 1.820 -13.304 412 HA LEU 57 HA LEU 57 8.997 4.422 -12.161 413 1HB LEU 57 1HB LEU 57 10.704 3.091 -11.059 414 2HB LEU 57 2HB LEU 57 11.638 2.967 -12.570 415 HG LEU 57 HG LEU 57 11.969 5.406 -12.587 416 1HD1 LEU 57 1HD1 LEU 57 10.623 6.779 -11.411 417 2HD1 LEU 57 2HD1 LEU 57 9.733 5.351 -10.831 418 3HD1 LEU 57 3HD1 LEU 57 11.100 5.991 -9.887 419 1HD2 LEU 57 1HD2 LEU 57 12.714 4.949 -9.781 420 2HD2 LEU 57 2HD2 LEU 57 13.129 3.573 -10.831 421 3HD2 LEU 57 3HD2 LEU 57 13.752 5.198 -11.206 422 H SER 58 H SER 58 11.107 3.211 -14.831 423 HA SER 58 HA SER 58 11.872 5.635 -15.921 424 1HB SER 58 1HB SER 58 12.445 3.203 -16.609 425 2HB SER 58 2HB SER 58 11.003 3.306 -17.648 426 HG SER 58 HG SER 58 13.120 3.984 -18.555 427 H ASP 59 H ASP 59 8.827 3.818 -16.505 428 HA ASP 59 HA ASP 59 7.792 6.187 -17.972 429 1HB ASP 59 1HB ASP 59 7.672 4.085 -19.196 430 2HB ASP 59 2HB ASP 59 6.854 3.298 -17.829 431 HA PRO 60 HA PRO 60 5.259 7.197 -14.516 432 1HB PRO 60 1HB PRO 60 3.402 8.770 -15.741 433 2HB PRO 60 2HB PRO 60 5.124 9.259 -15.620 434 1HG PRO 60 1HG PRO 60 3.762 7.885 -17.955 435 2HG PRO 60 2HG PRO 60 4.755 9.378 -18.000 436 1HD PRO 60 1HD PRO 60 5.831 6.938 -18.562 437 2HD PRO 60 2HD PRO 60 6.755 8.139 -17.609 438 H ARG 61 H ARG 61 4.882 4.574 -15.345 439 HA ARG 61 HA ARG 61 2.153 4.110 -16.185 440 1HB ARG 61 1HB ARG 61 4.574 2.577 -15.653 441 2HB ARG 61 2HB ARG 61 3.144 1.793 -14.939 442 1HG ARG 61 1HG ARG 61 2.244 2.668 -17.437 443 2HG ARG 61 2HG ARG 61 3.899 2.098 -17.761 444 1HD ARG 61 1HD ARG 61 3.436 -0.074 -16.955 445 2HD ARG 61 2HD ARG 61 1.982 0.459 -16.085 446 HE ARG 61 HE ARG 61 2.111 -0.449 -18.795 447 1HH1 ARG 61 1HH1 ARG 61 -1.050 0.863 -19.649 448 2HH1 ARG 61 2HH1 ARG 61 0.218 -0.251 -20.106 449 1HH2 ARG 61 1HH2 ARG 61 -0.832 2.143 -17.725 450 2HH2 ARG 61 2HH2 ARG 61 0.601 1.993 -16.732 451 H LEU 62 H LEU 62 1.065 5.502 -14.598 452 HA LEU 62 HA LEU 62 1.196 4.785 -11.789 453 1HB LEU 62 1HB LEU 62 0.030 6.864 -13.463 454 2HB LEU 62 2HB LEU 62 -1.147 6.264 -12.270 455 HG LEU 62 HG LEU 62 0.612 8.182 -11.648 456 1HD1 LEU 62 1HD1 LEU 62 -1.151 6.898 -10.229 457 2HD1 LEU 62 2HD1 LEU 62 0.223 5.908 -9.683 458 3HD1 LEU 62 3HD1 LEU 62 0.212 7.661 -9.374 459 1HD2 LEU 62 1HD2 LEU 62 2.469 6.467 -12.321 460 2HD2 LEU 62 2HD2 LEU 62 2.679 7.407 -10.824 461 3HD2 LEU 62 3HD2 LEU 62 2.121 5.719 -10.744 462 H GLU 63 H GLU 63 -0.123 3.439 -10.644 463 HA GLU 63 HA GLU 63 -2.476 2.299 -12.047 464 1HB GLU 63 1HB GLU 63 -0.290 0.720 -10.636 465 2HB GLU 63 2HB GLU 63 -1.822 0.043 -11.236 466 1HG GLU 63 1HG GLU 63 -1.195 0.983 -13.525 467 2HG GLU 63 2HG GLU 63 0.417 1.311 -12.854 468 H THR 64 H THR 64 -4.236 2.017 -10.745 469 HA THR 64 HA THR 64 -3.816 2.599 -7.850 470 HB THR 64 HB THR 64 -6.332 3.282 -8.077 471 HG1 THR 64 1HG THR 64 -5.464 3.747 -10.728 472 1HG2 THR 64 1HG2 THR 64 -5.020 5.399 -9.494 473 2HG2 THR 64 2HG2 THR 64 -5.354 5.285 -7.750 474 3HG2 THR 64 3HG2 THR 64 -3.825 4.653 -8.406 475 H ILE 65 H ILE 65 -4.750 1.253 -6.347 476 HA ILE 65 HA ILE 65 -6.441 -0.963 -7.360 477 HB ILE 65 HB ILE 65 -3.978 -1.627 -7.200 478 1HG1 ILE 65 1HG1 ILE 65 -5.946 -3.044 -5.351 479 2HG1 ILE 65 2HG1 ILE 65 -5.887 -3.235 -7.120 480 1HG2 ILE 65 1HG2 ILE 65 -3.949 -0.222 -4.904 481 2HG2 ILE 65 2HG2 ILE 65 -4.375 -1.816 -4.234 482 3HG2 ILE 65 3HG2 ILE 65 -2.875 -1.616 -5.172 483 1HD1 ILE 65 1HD1 ILE 65 -4.458 -4.951 -6.657 484 2HD1 ILE 65 2HD1 ILE 65 -3.256 -3.656 -6.441 485 3HD1 ILE 65 3HD1 ILE 65 -4.096 -4.336 -5.027 486 H THR 66 H THR 66 -8.220 -1.195 -6.132 487 HA THR 66 HA THR 66 -8.221 0.145 -3.480 488 HB THR 66 HB THR 66 -10.459 -0.700 -5.360 489 HG1 THR 66 1HG THR 66 -10.749 1.623 -5.303 490 1HG2 THR 66 1HG2 THR 66 -11.372 -0.980 -3.195 491 2HG2 THR 66 2HG2 THR 66 -10.441 0.383 -2.529 492 3HG2 THR 66 3HG2 THR 66 -11.812 0.691 -3.623 493 H LEU 67 H LEU 67 -8.114 -1.083 -1.704 494 HA LEU 67 HA LEU 67 -8.580 -3.991 -1.985 495 1HB LEU 67 1HB LEU 67 -7.469 -2.454 0.389 496 2HB LEU 67 2HB LEU 67 -7.342 -4.199 0.063 497 HG LEU 67 HG LEU 67 -6.325 -2.378 -2.074 498 1HD1 LEU 67 1HD1 LEU 67 -4.424 -1.634 -0.955 499 2HD1 LEU 67 2HD1 LEU 67 -5.630 -1.535 0.350 500 3HD1 LEU 67 3HD1 LEU 67 -4.515 -2.920 0.272 501 1HD2 LEU 67 1HD2 LEU 67 -6.284 -5.060 -1.646 502 2HD2 LEU 67 2HD2 LEU 67 -5.035 -4.208 -2.586 503 3HD2 LEU 67 3HD2 LEU 67 -4.743 -4.610 -0.877 504 H GLN 68 H GLN 68 -10.412 -4.915 -1.286 505 HA GLN 68 HA GLN 68 -12.398 -3.262 0.079 506 1HB GLN 68 1HB GLN 68 -12.426 -6.169 -0.827 507 2HB GLN 68 2HB GLN 68 -13.830 -5.264 -0.212 508 1HG GLN 68 1HG GLN 68 -12.196 -4.216 -2.534 509 2HG GLN 68 2HG GLN 68 -13.482 -5.415 -2.792 510 1HE2 GLN 68 1HE2 GLN 68 -12.751 -2.133 -1.608 511 2HE2 GLN 68 2HE2 GLN 68 -14.381 -1.511 -1.755 512 H LYS 69 H LYS 69 -13.715 -4.734 1.821 513 HA LYS 69 HA LYS 69 -12.207 -4.679 4.169 514 1HB LYS 69 1HB LYS 69 -14.532 -6.565 3.681 515 2HB LYS 69 2HB LYS 69 -14.065 -5.756 5.196 516 1HG LYS 69 1HG LYS 69 -14.404 -3.710 3.242 517 2HG LYS 69 2HG LYS 69 -15.802 -4.800 3.091 518 1HD LYS 69 1HD LYS 69 -15.793 -4.671 5.739 519 2HD LYS 69 2HD LYS 69 -14.902 -3.157 5.452 520 1HE LYS 69 1HE LYS 69 -16.697 -2.293 4.068 521 2HE LYS 69 2HE LYS 69 -17.552 -3.850 4.126 522 1HZ LYS 69 1HZ LYS 69 -17.679 -3.517 6.544 523 2HZ LYS 69 2HZ LYS 69 -17.092 -1.988 6.342 524 3HZ LYS 69 3HZ LYS 69 -18.535 -2.413 5.667 525 H TRP 70 H TRP 70 -10.859 -6.068 5.219 526 HA TRP 70 HA TRP 70 -9.364 -7.797 5.416 527 1HB TRP 70 1HB TRP 70 -11.666 -9.489 4.416 528 2HB TRP 70 2HB TRP 70 -10.339 -9.986 5.475 529 HD1 TRP 70 HD TRP 70 -13.831 -8.956 5.579 530 HE1 TRP 70 1HE TRP 70 -14.601 -8.363 7.933 531 HE3 TRP 70 3HE TRP 70 -9.262 -8.609 7.859 532 HZ2 TRP 70 2HZ TRP 70 -13.390 -7.803 10.501 533 HZ3 TRP 70 3HZ TRP 70 -9.110 -8.045 10.256 534 HH2 TRP 70 HH TRP 70 -11.159 -7.639 11.589 535 H GLY 71 H GLY 71 -9.502 -6.394 2.809 536 1HA GLY 71 1HA GLY 71 -9.083 -8.461 0.788 537 2HA GLY 71 2HA GLY 71 -8.916 -6.703 0.580 538 H SER 72 H SER 72 -7.082 -8.796 -0.345 539 HA SER 72 HA SER 72 -4.655 -7.817 1.051 540 1HB SER 72 1HB SER 72 -4.541 -10.633 0.161 541 2HB SER 72 2HB SER 72 -3.937 -9.880 1.656 542 HG SER 72 HG SER 72 -5.597 -11.054 2.359 543 H TRP 73 H TRP 73 -2.698 -8.029 -0.275 544 HA TRP 73 HA TRP 73 -3.307 -8.317 -3.175 545 1HB TRP 73 1HB TRP 73 -3.174 -5.914 -2.314 546 2HB TRP 73 2HB TRP 73 -1.461 -6.228 -2.001 547 HD1 TRP 73 HD TRP 73 -3.107 -7.636 -5.126 548 HE1 TRP 73 1HE TRP 73 -2.164 -6.501 -7.203 549 HE3 TRP 73 3HE TRP 73 -0.349 -3.967 -2.860 550 HZ2 TRP 73 2HZ TRP 73 -0.423 -4.273 -7.818 551 HZ3 TRP 73 3HZ TRP 73 0.936 -2.360 -4.222 552 HH2 TRP 73 HH TRP 73 0.910 -2.499 -6.696 553 H ASN 74 H ASN 74 -1.772 -9.385 -4.366 554 HA ASN 74 HA ASN 74 0.875 -9.877 -3.188 555 1HB ASN 74 1HB ASN 74 -0.558 -11.664 -2.245 556 2HB ASN 74 2HB ASN 74 -1.040 -12.134 -3.890 557 1HD2 ASN 74 1HD2 ASN 74 -0.153 -14.215 -3.829 558 2HD2 ASN 74 2HD2 ASN 74 1.572 -14.505 -3.777 559 HA PRO 75 HA PRO 75 0.732 -9.317 -7.784 560 1HB PRO 75 1HB PRO 75 2.612 -7.350 -7.931 561 2HB PRO 75 2HB PRO 75 0.916 -7.005 -7.458 562 1HG PRO 75 1HG PRO 75 3.277 -7.482 -5.617 563 2HG PRO 75 2HG PRO 75 2.132 -6.101 -5.583 564 1HD PRO 75 1HD PRO 75 1.791 -8.271 -3.969 565 2HD PRO 75 2HD PRO 75 0.382 -7.488 -4.747 566 H GLY 76 H GLY 76 3.935 -8.443 -6.473 567 1HA GLY 76 1HA GLY 76 5.289 -10.780 -6.256 568 2HA GLY 76 2HA GLY 76 5.152 -10.605 -8.020 569 H HIS 77 H HIS 77 5.921 -8.548 -5.149 570 HA HIS 77 HA HIS 77 7.636 -7.078 -4.780 571 1HB HIS 77 1HB HIS 77 9.090 -8.942 -5.430 572 2HB HIS 77 2HB HIS 77 8.891 -8.521 -7.141 573 HD1 HIS 77 1HD HIS 77 9.464 -5.467 -7.143 574 HD2 HIS 77 2HD HIS 77 11.540 -8.320 -4.830 575 HE1 HIS 77 1HE HIS 77 11.747 -4.433 -6.578 576 HE2 HIS 77 2HE HIS 77 12.999 -6.175 -5.173 577 H ILE 78 H ILE 78 6.527 -5.188 -5.232 578 HA ILE 78 HA ILE 78 6.346 -4.293 -8.032 579 HB ILE 78 HB ILE 78 5.371 -3.041 -5.435 580 1HG1 ILE 78 1HG1 ILE 78 4.458 -5.344 -6.633 581 2HG1 ILE 78 2HG1 ILE 78 3.447 -4.242 -5.667 582 1HG2 ILE 78 1HG2 ILE 78 5.579 -1.296 -7.039 583 2HG2 ILE 78 2HG2 ILE 78 5.049 -2.349 -8.373 584 3HG2 ILE 78 3HG2 ILE 78 3.877 -1.807 -7.148 585 1HD1 ILE 78 1HD1 ILE 78 3.874 -3.673 -8.599 586 2HD1 ILE 78 2HD1 ILE 78 2.700 -4.919 -8.112 587 3HD1 ILE 78 3HD1 ILE 78 2.500 -3.241 -7.553 588 H HIS 79 H HIS 79 7.213 -2.266 -8.741 589 HA HIS 79 HA HIS 79 9.877 -1.799 -8.131 590 1HB HIS 79 1HB HIS 79 9.074 -0.833 -10.099 591 2HB HIS 79 2HB HIS 79 7.672 -0.107 -9.291 592 HD1 HIS 79 1HD HIS 79 11.455 0.336 -8.485 593 HD2 HIS 79 2HD HIS 79 7.965 2.463 -9.534 594 HE1 HIS 79 1HE HIS 79 12.072 2.830 -8.433 595 HE2 HIS 79 2HE HIS 79 9.944 4.112 -9.071 596 H GLU 80 H GLU 80 7.411 0.673 -7.288 597 HA GLU 80 HA GLU 80 8.193 0.672 -4.488 598 1HB GLU 80 1HB GLU 80 10.093 1.873 -5.578 599 2HB GLU 80 2HB GLU 80 8.933 3.056 -6.229 600 1HG GLU 80 1HG GLU 80 8.195 3.066 -3.614 601 2HG GLU 80 2HG GLU 80 9.920 2.678 -3.440 602 H ILE 81 H ILE 81 6.785 1.935 -3.205 603 HA ILE 81 HA ILE 81 4.212 2.450 -4.479 604 HB ILE 81 HB ILE 81 5.205 2.742 -1.617 605 1HG1 ILE 81 1HG1 ILE 81 5.122 0.422 -2.602 606 2HG1 ILE 81 2HG1 ILE 81 4.000 0.663 -1.241 607 1HG2 ILE 81 1HG2 ILE 81 2.683 3.494 -2.987 608 2HG2 ILE 81 2HG2 ILE 81 2.468 2.509 -1.520 609 3HG2 ILE 81 3HG2 ILE 81 3.348 4.053 -1.433 610 1HD1 ILE 81 1HD1 ILE 81 2.479 1.451 -3.421 611 2HD1 ILE 81 2HD1 ILE 81 3.429 0.098 -4.081 612 3HD1 ILE 81 3HD1 ILE 81 2.409 -0.148 -2.643 613 H LEU 82 H LEU 82 3.274 4.419 -4.880 614 HA LEU 82 HA LEU 82 5.088 6.732 -4.824 615 1HB LEU 82 1HB LEU 82 2.263 6.428 -5.918 616 2HB LEU 82 2HB LEU 82 3.372 7.790 -6.212 617 HG LEU 82 HG LEU 82 3.577 4.927 -7.181 618 1HD1 LEU 82 1HD1 LEU 82 3.054 7.574 -8.293 619 2HD1 LEU 82 2HD1 LEU 82 4.448 6.808 -9.092 620 3HD1 LEU 82 3HD1 LEU 82 2.875 5.975 -9.054 621 1HD2 LEU 82 1HD2 LEU 82 5.724 5.653 -6.025 622 2HD2 LEU 82 2HD2 LEU 82 5.895 5.272 -7.756 623 3HD2 LEU 82 3HD2 LEU 82 5.834 6.969 -7.220 624 H SER 83 H SER 83 1.619 6.206 -3.956 625 HA SER 83 HA SER 83 2.090 7.658 -1.431 626 1HB SER 83 1HB SER 83 1.448 9.314 -3.258 627 2HB SER 83 2HB SER 83 -0.121 8.478 -3.344 628 HG SER 83 HG SER 83 0.820 9.212 -0.827 629 H ILE 84 H ILE 84 -0.018 7.636 -0.099 630 HA ILE 84 HA ILE 84 -1.579 5.174 -0.690 631 HB ILE 84 HB ILE 84 -0.066 5.925 1.818 632 1HG1 ILE 84 1HG1 ILE 84 -0.439 3.349 0.228 633 2HG1 ILE 84 2HG1 ILE 84 0.991 4.408 0.179 634 1HG2 ILE 84 1HG2 ILE 84 -1.396 4.186 3.000 635 2HG2 ILE 84 2HG2 ILE 84 -2.407 5.561 2.496 636 3HG2 ILE 84 3HG2 ILE 84 -2.450 4.039 1.574 637 1HD1 ILE 84 1HD1 ILE 84 1.126 4.067 2.731 638 2HD1 ILE 84 2HD1 ILE 84 -0.039 2.741 2.500 639 3HD1 ILE 84 3HD1 ILE 84 1.557 2.671 1.713 640 H ARG 85 H ARG 85 -3.732 5.466 -0.517 641 HA ARG 85 HA ARG 85 -4.661 7.891 0.950 642 1HB ARG 85 1HB ARG 85 -4.979 8.367 -1.355 643 2HB ARG 85 2HB ARG 85 -5.529 6.711 -1.705 644 1HG ARG 85 1HG ARG 85 -7.607 7.047 -0.608 645 2HG ARG 85 2HG ARG 85 -7.024 8.504 0.233 646 1HD ARG 85 1HD ARG 85 -6.815 8.690 -2.699 647 2HD ARG 85 2HD ARG 85 -8.485 8.472 -2.131 648 HE ARG 85 HE ARG 85 -7.580 10.427 -0.473 649 1HH1 ARG 85 1HH1 ARG 85 -7.573 13.236 -2.607 650 2HH1 ARG 85 2HH1 ARG 85 -7.620 12.689 -0.946 651 1HH2 ARG 85 1HH2 ARG 85 -7.470 11.690 -4.335 652 2HH2 ARG 85 2HH2 ARG 85 -7.439 9.978 -3.977 653 H ILE 86 H ILE 86 -6.170 7.552 2.490 654 HA ILE 86 HA ILE 86 -7.389 4.833 2.602 655 HB ILE 86 HB ILE 86 -6.795 6.754 4.886 656 1HG1 ILE 86 1HG1 ILE 86 -5.349 4.235 3.955 657 2HG1 ILE 86 2HG1 ILE 86 -4.720 5.898 3.862 658 1HG2 ILE 86 1HG2 ILE 86 -8.599 4.633 4.711 659 2HG2 ILE 86 2HG2 ILE 86 -7.153 3.887 5.432 660 3HG2 ILE 86 3HG2 ILE 86 -7.912 5.296 6.213 661 1HD1 ILE 86 1HD1 ILE 86 -4.004 4.413 5.886 662 2HD1 ILE 86 2HD1 ILE 86 -4.522 6.085 6.206 663 3HD1 ILE 86 3HD1 ILE 86 -5.643 4.735 6.501 664 H TYR 87 H TYR 87 -9.584 4.674 2.731 665 HA TYR 87 HA TYR 87 -11.102 7.136 2.281 666 1HB TYR 87 1HB TYR 87 -11.714 4.179 2.272 667 2HB TYR 87 2HB TYR 87 -13.009 5.386 2.214 668 HD1 TYR 87 1HD TYR 87 -13.695 6.256 0.163 669 HD2 TYR 87 2HD TYR 87 -9.828 4.412 0.481 670 HE1 TYR 87 1HE TYR 87 -13.396 6.460 -2.291 671 HE2 TYR 87 2HE TYR 87 -9.529 4.616 -1.973 672 HH TYR 87 HH TYR 87 -10.485 5.228 -3.958 Start of MODEL 20 1 H MET 1 H MET 1 -4.483 11.575 7.873 2 HA MET 1 HA MET 1 -2.518 12.861 7.264 3 1HB MET 1 1HB MET 1 -0.789 13.313 8.919 4 2HB MET 1 2HB MET 1 -2.362 13.857 9.552 5 1HG MET 1 1HG MET 1 -2.292 11.235 10.377 6 2HG MET 1 2HG MET 1 -0.582 11.685 10.479 7 1HE MET 1 1HE MET 1 0.092 13.808 13.025 8 2HE MET 1 2HE MET 1 0.162 13.791 11.246 9 3HE MET 1 3HE MET 1 -0.810 15.023 12.087 10 H ILE 2 H ILE 2 -3.388 9.834 8.232 11 HA ILE 2 HA ILE 2 -2.445 7.736 8.081 12 HB ILE 2 HB ILE 2 -2.801 8.214 5.741 13 1HG1 ILE 2 1HG1 ILE 2 0.063 7.221 6.008 14 2HG1 ILE 2 2HG1 ILE 2 -1.355 6.229 6.426 15 1HG2 ILE 2 1HG2 ILE 2 -1.041 9.351 4.393 16 2HG2 ILE 2 2HG2 ILE 2 -1.699 10.413 5.661 17 3HG2 ILE 2 3HG2 ILE 2 -0.111 9.642 5.883 18 1HD1 ILE 2 1HD1 ILE 2 -1.680 7.512 3.820 19 2HD1 ILE 2 2HD1 ILE 2 -0.204 6.519 3.877 20 3HD1 ILE 2 3HD1 ILE 2 -1.784 5.789 4.252 21 H ASN 3 H ASN 3 -1.154 7.583 9.928 22 HA ASN 3 HA ASN 3 1.669 8.457 9.643 23 1HB ASN 3 1HB ASN 3 -0.244 8.464 11.776 24 2HB ASN 3 2HB ASN 3 1.080 7.368 12.225 25 1HD2 ASN 3 1HD2 ASN 3 0.097 10.410 12.699 26 2HD2 ASN 3 2HD2 ASN 3 1.625 11.264 12.729 27 H ARG 4 H ARG 4 3.389 7.000 10.079 28 HA ARG 4 HA ARG 4 2.840 4.292 9.183 29 1HB ARG 4 1HB ARG 4 5.059 6.076 9.277 30 2HB ARG 4 2HB ARG 4 5.502 4.640 10.229 31 1HG ARG 4 1HG ARG 4 4.795 3.185 8.343 32 2HG ARG 4 2HG ARG 4 4.393 4.634 7.389 33 1HD ARG 4 1HD ARG 4 6.555 4.212 6.647 34 2HD ARG 4 2HD ARG 4 6.874 5.336 7.986 35 HE ARG 4 HE ARG 4 6.855 2.600 8.895 36 1HH1 ARG 4 1HH1 ARG 4 10.375 2.388 8.899 37 2HH1 ARG 4 2HH1 ARG 4 8.888 1.654 9.453 38 1HH2 ARG 4 1HH2 ARG 4 10.308 4.311 7.602 39 2HH2 ARG 4 2HH2 ARG 4 8.769 5.028 7.179 40 H THR 5 H THR 5 1.924 2.875 10.564 41 HA THR 5 HA THR 5 2.966 2.847 13.358 42 HB THR 5 HB THR 5 0.580 3.536 13.155 43 HG1 THR 5 1HG THR 5 1.153 2.416 14.985 44 1HG2 THR 5 1HG2 THR 5 0.546 1.051 11.500 45 2HG2 THR 5 2HG2 THR 5 -0.851 1.302 12.573 46 3HG2 THR 5 3HG2 THR 5 -0.433 2.531 11.356 47 H ASP 6 H ASP 6 3.318 0.794 14.325 48 HA ASP 6 HA ASP 6 3.975 -1.285 12.341 49 1HB ASP 6 1HB ASP 6 5.078 -2.348 14.349 50 2HB ASP 6 2HB ASP 6 5.716 -0.749 13.907 51 H CYS 7 H CYS 7 1.175 -0.741 12.838 52 HA CYS 7 HA CYS 7 -0.772 -1.850 13.308 53 1HB CYS 7 1HB CYS 7 0.099 -4.532 13.614 54 2HB CYS 7 2HB CYS 7 -0.649 -3.775 12.198 55 H ASN 8 H ASN 8 -1.626 -1.421 15.262 56 HA ASN 8 HA ASN 8 -0.767 -3.106 17.529 57 1HB ASN 8 1HB ASN 8 -0.567 -1.174 19.013 58 2HB ASN 8 2HB ASN 8 0.585 -1.035 17.667 59 1HD2 ASN 8 1HD2 ASN 8 -0.003 0.366 15.829 60 2HD2 ASN 8 2HD2 ASN 8 -1.031 1.755 16.113 61 H GLU 9 H GLU 9 -2.986 -3.765 16.335 62 HA GLU 9 HA GLU 9 -5.024 -3.412 18.227 63 1HB GLU 9 1HB GLU 9 -5.181 -1.094 17.571 64 2HB GLU 9 2HB GLU 9 -5.206 -1.530 15.846 65 1HG GLU 9 1HG GLU 9 -7.445 -1.700 15.945 66 2HG GLU 9 2HG GLU 9 -7.271 -3.031 17.110 67 H ASN 10 H ASN 10 -5.636 -3.031 14.740 68 HA ASN 10 HA ASN 10 -5.546 -5.557 13.746 69 1HB ASN 10 1HB ASN 10 -7.586 -5.371 15.865 70 2HB ASN 10 2HB ASN 10 -8.208 -6.008 14.327 71 1HD2 ASN 10 1HD2 ASN 10 -8.498 -8.078 15.406 72 2HD2 ASN 10 2HD2 ASN 10 -7.126 -9.139 15.645 73 H SER 11 H SER 11 -7.322 -5.995 12.033 74 HA SER 11 HA SER 11 -8.137 -5.147 10.046 75 1HB SER 11 1HB SER 11 -10.273 -4.932 10.723 76 2HB SER 11 2HB SER 11 -9.776 -4.312 12.315 77 HG SER 11 HG SER 11 -9.600 -2.273 11.438 78 H TYR 12 H TYR 12 -6.325 -4.131 9.133 79 HA TYR 12 HA TYR 12 -6.580 -1.261 8.850 80 1HB TYR 12 1HB TYR 12 -4.528 -2.465 10.655 81 2HB TYR 12 2HB TYR 12 -4.001 -1.157 9.583 82 HD1 TYR 12 1HD TYR 12 -6.542 0.470 9.534 83 HD2 TYR 12 2HD TYR 12 -4.436 -1.416 12.768 84 HE1 TYR 12 1HE TYR 12 -7.474 2.139 11.114 85 HE2 TYR 12 2HE TYR 12 -5.368 0.252 14.348 86 HH TYR 12 HH TYR 12 -6.691 3.114 13.526 87 H LEU 13 H LEU 13 -4.553 -0.458 7.514 88 HA LEU 13 HA LEU 13 -4.263 -2.413 5.324 89 1HB LEU 13 1HB LEU 13 -4.925 -0.321 4.500 90 2HB LEU 13 2HB LEU 13 -3.884 0.567 5.638 91 HG LEU 13 HG LEU 13 -1.955 -0.771 4.366 92 1HD1 LEU 13 1HD1 LEU 13 -3.709 -1.999 2.988 93 2HD1 LEU 13 2HD1 LEU 13 -4.067 -0.444 2.199 94 3HD1 LEU 13 3HD1 LEU 13 -2.450 -1.172 2.040 95 1HD2 LEU 13 1HD2 LEU 13 -2.492 1.272 2.521 96 2HD2 LEU 13 2HD2 LEU 13 -3.279 1.818 4.021 97 3HD2 LEU 13 3HD2 LEU 13 -1.543 1.425 4.019 98 H GLU 14 H GLU 14 -2.425 -3.512 4.927 99 HA GLU 14 HA GLU 14 0.089 -2.503 6.146 100 1HB GLU 14 1HB GLU 14 -0.814 -5.405 6.215 101 2HB GLU 14 2HB GLU 14 0.645 -4.709 6.960 102 1HG GLU 14 1HG GLU 14 -0.508 -4.072 8.787 103 2HG GLU 14 2HG GLU 14 -1.734 -3.254 7.793 104 H ILE 15 H ILE 15 1.917 -2.830 4.911 105 HA ILE 15 HA ILE 15 1.567 -4.370 2.391 106 HB ILE 15 HB ILE 15 2.955 -1.674 2.590 107 1HG1 ILE 15 1HG1 ILE 15 0.300 -2.144 1.229 108 2HG1 ILE 15 2HG1 ILE 15 0.352 -1.798 2.974 109 1HG2 ILE 15 1HG2 ILE 15 3.809 -2.537 0.653 110 2HG2 ILE 15 2HG2 ILE 15 2.520 -3.757 0.513 111 3HG2 ILE 15 3HG2 ILE 15 2.222 -2.083 -0.014 112 1HD1 ILE 15 1HD1 ILE 15 0.477 0.073 0.849 113 2HD1 ILE 15 2HD1 ILE 15 0.727 0.391 2.582 114 3HD1 ILE 15 3HD1 ILE 15 2.117 0.009 1.539 115 H HIS 16 H HIS 16 3.093 -5.896 2.243 116 HA HIS 16 HA HIS 16 5.688 -5.388 3.624 117 1HB HIS 16 1HB HIS 16 5.811 -7.787 4.027 118 2HB HIS 16 2HB HIS 16 4.314 -7.129 4.714 119 HD1 HIS 16 1HD HIS 16 5.535 -9.621 2.139 120 HD2 HIS 16 2HD HIS 16 1.978 -7.715 3.372 121 HE1 HIS 16 1HE HIS 16 3.595 -10.926 1.073 122 HE2 HIS 16 2HE HIS 16 1.441 -9.760 1.828 123 H ASN 17 H ASN 17 7.023 -4.747 1.996 124 HA ASN 17 HA ASN 17 6.914 -6.256 -0.557 125 1HB ASN 17 1HB ASN 17 8.350 -4.388 -1.383 126 2HB ASN 17 2HB ASN 17 6.773 -3.843 -0.773 127 1HD2 ASN 17 1HD2 ASN 17 6.671 -2.943 1.429 128 2HD2 ASN 17 2HD2 ASN 17 8.076 -2.129 2.083 129 H ASN 18 H ASN 18 9.448 -5.988 -1.502 130 HA ASN 18 HA ASN 18 11.496 -7.009 -1.442 131 1HB ASN 18 1HB ASN 18 11.161 -5.884 1.320 132 2HB ASN 18 2HB ASN 18 12.530 -6.972 1.009 133 1HD2 ASN 18 1HD2 ASN 18 12.020 -3.863 1.381 134 2HD2 ASN 18 2HD2 ASN 18 13.027 -3.167 0.130 135 H GLU 19 H GLU 19 9.153 -8.668 -1.243 136 HA GLU 19 HA GLU 19 8.638 -10.866 -0.869 137 1HB GLU 19 1HB GLU 19 11.603 -10.949 -0.212 138 2HB GLU 19 2HB GLU 19 10.569 -12.396 -0.268 139 1HG GLU 19 1HG GLU 19 9.924 -11.791 -2.609 140 2HG GLU 19 2HG GLU 19 11.060 -10.427 -2.540 141 H GLY 20 H GLY 20 8.278 -8.841 1.216 142 1HA GLY 20 1HA GLY 20 7.368 -8.937 3.344 143 2HA GLY 20 2HA GLY 20 7.784 -10.663 3.430 144 H ARG 21 H ARG 21 9.893 -7.829 2.776 145 HA ARG 21 HA ARG 21 11.643 -8.741 4.983 146 1HB ARG 21 1HB ARG 21 12.449 -8.282 2.576 147 2HB ARG 21 2HB ARG 21 12.217 -6.559 2.960 148 1HG ARG 21 1HG ARG 21 13.642 -7.999 5.086 149 2HG ARG 21 2HG ARG 21 14.495 -8.072 3.526 150 1HD ARG 21 1HD ARG 21 14.299 -5.608 3.317 151 2HD ARG 21 2HD ARG 21 13.476 -5.546 4.891 152 HE ARG 21 HE ARG 21 15.818 -6.850 5.468 153 1HH1 ARG 21 1HH1 ARG 21 18.060 -4.129 5.574 154 2HH1 ARG 21 2HH1 ARG 21 17.770 -5.777 6.084 155 1HH2 ARG 21 1HH2 ARG 21 16.484 -3.020 4.280 156 2HH2 ARG 21 2HH2 ARG 21 15.007 -3.832 3.814 157 H ASP 22 H ASP 22 9.876 -5.866 3.768 158 HA ASP 22 HA ASP 22 10.039 -4.759 6.526 159 1HB ASP 22 1HB ASP 22 10.628 -3.422 3.879 160 2HB ASP 22 2HB ASP 22 10.076 -2.480 5.280 161 H THR 23 H THR 23 8.035 -4.608 7.334 162 HA THR 23 HA THR 23 5.781 -4.354 5.419 163 HB THR 23 HB THR 23 5.811 -5.119 8.365 164 HG1 THR 23 1HG THR 23 6.794 -6.654 6.995 165 1HG2 THR 23 1HG2 THR 23 3.710 -4.449 6.430 166 2HG2 THR 23 2HG2 THR 23 3.507 -6.085 7.102 167 3HG2 THR 23 3HG2 THR 23 3.597 -4.680 8.191 168 H LEU 24 H LEU 24 4.140 -2.784 5.752 169 HA LEU 24 HA LEU 24 4.816 -0.626 7.678 170 1HB LEU 24 1HB LEU 24 3.868 -0.022 4.871 171 2HB LEU 24 2HB LEU 24 4.659 1.058 6.043 172 HG LEU 24 HG LEU 24 6.377 -1.205 5.567 173 1HD1 LEU 24 1HD1 LEU 24 5.364 -1.575 3.433 174 2HD1 LEU 24 2HD1 LEU 24 5.229 0.170 3.112 175 3HD1 LEU 24 3HD1 LEU 24 6.827 -0.615 3.105 176 1HD2 LEU 24 1HD2 LEU 24 6.434 1.785 5.085 177 2HD2 LEU 24 2HD2 LEU 24 7.332 0.830 6.289 178 3HD2 LEU 24 3HD2 LEU 24 7.788 0.751 4.570 179 H CYS 25 H CYS 25 3.124 -0.568 9.035 180 HA CYS 25 HA CYS 25 0.431 -1.184 7.961 181 1HB CYS 25 1HB CYS 25 1.115 -0.725 10.857 182 2HB CYS 25 2HB CYS 25 -0.185 -1.702 10.155 183 H PHE 26 H PHE 26 -0.876 0.457 7.426 184 HA PHE 26 HA PHE 26 -0.332 3.110 8.665 185 1HB PHE 26 1HB PHE 26 -1.649 2.331 6.043 186 2HB PHE 26 2HB PHE 26 -1.562 3.986 6.669 187 HD1 PHE 26 1HD PHE 26 0.167 1.364 4.874 188 HD2 PHE 26 2HD PHE 26 0.711 5.052 7.007 189 HE1 PHE 26 1HE PHE 26 2.395 1.644 3.821 190 HE2 PHE 26 2HE PHE 26 2.939 5.332 5.954 191 HZ PHE 26 HZ PHE 26 3.781 3.628 4.361 192 H ALA 27 H ALA 27 -2.111 4.377 9.386 193 HA ALA 27 HA ALA 27 -4.695 2.935 9.618 194 1HB ALA 27 1HB ALA 27 -4.314 4.353 12.035 195 2HB ALA 27 2HB ALA 27 -4.348 2.587 11.810 196 3HB ALA 27 3HB ALA 27 -2.799 3.463 11.748 197 H ASN 28 H ASN 28 -6.351 4.575 10.677 198 HA ASN 28 HA ASN 28 -7.493 6.551 10.482 199 1HB ASN 28 1HB ASN 28 -4.639 7.490 10.222 200 2HB ASN 28 2HB ASN 28 -5.981 8.626 9.962 201 1HD2 ASN 28 1HD2 ASN 28 -3.926 8.533 12.130 202 2HD2 ASN 28 2HD2 ASN 28 -4.827 8.441 13.628 203 H ALA 29 H ALA 29 -8.614 7.643 8.870 204 HA ALA 29 HA ALA 29 -8.380 6.604 6.230 205 1HB ALA 29 1HB ALA 29 -10.243 7.944 5.747 206 2HB ALA 29 2HB ALA 29 -10.402 7.669 7.499 207 3HB ALA 29 3HB ALA 29 -9.752 9.212 6.896 208 H GLY 30 H GLY 30 -6.482 8.877 7.869 209 1HA GLY 30 1HA GLY 30 -5.952 10.972 6.204 210 2HA GLY 30 2HA GLY 30 -4.675 10.084 7.066 211 H THR 31 H THR 31 -4.396 11.362 4.481 212 HA THR 31 HA THR 31 -3.669 8.954 2.910 213 HB THR 31 HB THR 31 -5.244 11.362 1.932 214 HG1 THR 31 1HG THR 31 -6.804 9.968 1.896 215 1HG2 THR 31 1HG2 THR 31 -3.369 10.791 0.383 216 2HG2 THR 31 2HG2 THR 31 -3.958 9.113 0.324 217 3HG2 THR 31 3HG2 THR 31 -4.962 10.433 -0.323 218 H MET 32 H MET 32 -1.541 9.034 2.532 219 HA MET 32 HA MET 32 -0.332 11.649 1.853 220 1HB MET 32 1HB MET 32 1.387 11.471 3.466 221 2HB MET 32 2HB MET 32 -0.096 11.062 4.361 222 1HG MET 32 1HG MET 32 0.370 8.639 3.876 223 2HG MET 32 2HG MET 32 1.922 9.126 3.174 224 1HE MET 32 1HE MET 32 1.435 7.003 6.028 225 2HE MET 32 2HE MET 32 2.519 7.170 4.627 226 3HE MET 32 3HE MET 32 3.159 7.368 6.275 227 HA PRO 33 HA PRO 33 1.821 9.285 -1.149 228 1HB PRO 33 1HB PRO 33 4.147 10.673 -1.442 229 2HB PRO 33 2HB PRO 33 2.558 11.388 -1.871 230 1HG PRO 33 1HG PRO 33 4.079 11.714 0.732 231 2HG PRO 33 2HG PRO 33 3.413 13.014 -0.309 232 1HD PRO 33 1HD PRO 33 2.034 12.071 1.844 233 2HD PRO 33 2HD PRO 33 1.179 12.465 0.322 234 H VAL 34 H VAL 34 2.875 7.372 -1.027 235 HA VAL 34 HA VAL 34 4.999 7.088 1.041 236 HB VAL 34 HB VAL 34 4.140 4.979 1.707 237 1HG1 VAL 34 1HG1 VAL 34 2.610 7.314 1.921 238 2HG1 VAL 34 2HG1 VAL 34 1.439 6.080 1.398 239 3HG1 VAL 34 3HG1 VAL 34 2.398 5.827 2.877 240 1HG2 VAL 34 1HG2 VAL 34 2.341 3.818 0.537 241 2HG2 VAL 34 2HG2 VAL 34 2.129 5.193 -0.573 242 3HG2 VAL 34 3HG2 VAL 34 3.620 4.223 -0.633 243 H ALA 35 H ALA 35 6.506 5.283 0.569 244 HA ALA 35 HA ALA 35 6.649 4.694 -2.347 245 1HB ALA 35 1HB ALA 35 8.655 5.696 -2.512 246 2HB ALA 35 2HB ALA 35 8.359 6.395 -0.902 247 3HB ALA 35 3HB ALA 35 9.255 4.865 -1.057 248 H ILE 36 H ILE 36 6.341 2.556 -2.552 249 HA ILE 36 HA ILE 36 7.787 0.780 -0.649 250 HB ILE 36 HB ILE 36 4.929 0.580 -1.660 251 1HG1 ILE 36 1HG1 ILE 36 5.218 0.011 1.106 252 2HG1 ILE 36 2HG1 ILE 36 6.229 1.441 0.787 253 1HG2 ILE 36 1HG2 ILE 36 4.835 -1.658 -0.914 254 2HG2 ILE 36 2HG2 ILE 36 6.394 -1.577 -1.768 255 3HG2 ILE 36 3HG2 ILE 36 6.349 -1.511 0.010 256 1HD1 ILE 36 1HD1 ILE 36 4.028 2.099 -0.664 257 2HD1 ILE 36 2HD1 ILE 36 3.268 1.113 0.607 258 3HD1 ILE 36 3HD1 ILE 36 4.233 2.542 1.048 259 H TYR 37 H TYR 37 9.362 -0.149 -1.826 260 HA TYR 37 HA TYR 37 8.778 -0.813 -4.661 261 1HB TYR 37 1HB TYR 37 11.330 -0.455 -3.070 262 2HB TYR 37 2HB TYR 37 11.307 -1.156 -4.697 263 HD1 TYR 37 1HD TYR 37 11.041 1.902 -2.716 264 HD2 TYR 37 2HD TYR 37 10.621 0.219 -6.645 265 HE1 TYR 37 1HE TYR 37 11.096 4.179 -3.697 266 HE2 TYR 37 2HE TYR 37 10.676 2.495 -7.627 267 HH TYR 37 HH TYR 37 11.309 4.758 -7.142 268 H GLY 38 H GLY 38 8.676 -2.897 -5.349 269 1HA GLY 38 1HA GLY 38 8.917 -5.201 -5.305 270 2HA GLY 38 2HA GLY 38 9.866 -5.059 -3.808 271 H VAL 39 H VAL 39 6.491 -4.413 -4.928 272 HA VAL 39 HA VAL 39 5.445 -5.087 -2.288 273 HB VAL 39 HB VAL 39 4.034 -4.486 -4.918 274 1HG1 VAL 39 1HG1 VAL 39 2.047 -4.392 -3.709 275 2HG1 VAL 39 2HG1 VAL 39 2.882 -5.715 -2.860 276 3HG1 VAL 39 3HG1 VAL 39 2.877 -4.075 -2.167 277 1HG2 VAL 39 1HG2 VAL 39 5.559 -2.821 -3.147 278 2HG2 VAL 39 2HG2 VAL 39 4.587 -2.332 -4.556 279 3HG2 VAL 39 3HG2 VAL 39 3.840 -2.408 -2.942 280 H ASN 40 H ASN 40 5.129 -7.128 -1.640 281 HA ASN 40 HA ASN 40 4.774 -9.214 -3.722 282 1HB ASN 40 1HB ASN 40 5.760 -9.175 -0.873 283 2HB ASN 40 2HB ASN 40 5.140 -10.683 -1.580 284 1HD2 ASN 40 1HD2 ASN 40 6.987 -7.985 -3.089 285 2HD2 ASN 40 2HD2 ASN 40 8.345 -8.967 -3.594 286 H TRP 41 H TRP 41 3.338 -7.836 -0.749 287 HA TRP 41 HA TRP 41 0.698 -8.663 -1.618 288 1HB TRP 41 1HB TRP 41 1.306 -10.772 -0.711 289 2HB TRP 41 2HB TRP 41 2.088 -10.030 0.692 290 HD1 TRP 41 HD TRP 41 0.016 -8.313 1.996 291 HE1 TRP 41 1HE TRP 41 -2.179 -9.192 2.945 292 HE3 TRP 41 3HE TRP 41 -0.357 -12.643 -0.708 293 HZ2 TRP 41 2HZ TRP 41 -3.896 -11.493 2.582 294 HZ3 TRP 41 3HZ TRP 41 -2.283 -14.150 -0.380 295 HH2 TRP 41 HH TRP 41 -4.056 -13.592 1.257 296 H VAL 42 H VAL 42 -0.967 -7.649 -0.391 297 HA VAL 42 HA VAL 42 -0.031 -5.767 1.706 298 HB VAL 42 HB VAL 42 -1.568 -5.127 -0.828 299 1HG1 VAL 42 1HG1 VAL 42 -1.704 -2.796 0.407 300 2HG1 VAL 42 2HG1 VAL 42 -2.932 -4.042 0.731 301 3HG1 VAL 42 3HG1 VAL 42 -1.595 -3.791 1.878 302 1HG2 VAL 42 1HG2 VAL 42 0.417 -4.231 -1.405 303 2HG2 VAL 42 2HG2 VAL 42 0.322 -3.147 0.004 304 3HG2 VAL 42 3HG2 VAL 42 1.111 -4.735 0.156 305 H GLU 43 H GLU 43 -1.398 -5.614 3.423 306 HA GLU 43 HA GLU 43 -3.803 -7.324 3.329 307 1HB GLU 43 1HB GLU 43 -2.560 -5.866 5.689 308 2HB GLU 43 2HB GLU 43 -3.736 -7.201 5.736 309 1HG GLU 43 1HG GLU 43 -2.162 -8.794 5.137 310 2HG GLU 43 2HG GLU 43 -1.155 -7.624 4.258 311 H SER 44 H SER 44 -5.838 -6.535 4.259 312 HA SER 44 HA SER 44 -6.189 -3.640 4.459 313 1HB SER 44 1HB SER 44 -7.774 -5.136 2.351 314 2HB SER 44 2HB SER 44 -7.664 -3.379 2.616 315 HG SER 44 HG SER 44 -5.985 -5.071 1.261 316 H GLY 45 H GLY 45 -6.760 -4.333 6.622 317 1HA GLY 45 1HA GLY 45 -8.595 -6.234 7.389 318 2HA GLY 45 2HA GLY 45 -8.418 -4.658 8.194 319 H ASN 46 H ASN 46 -10.827 -5.178 8.548 320 HA ASN 46 HA ASN 46 -12.641 -5.017 6.346 321 1HB ASN 46 1HB ASN 46 -13.008 -5.855 8.768 322 2HB ASN 46 2HB ASN 46 -13.247 -4.143 9.178 323 1HD2 ASN 46 1HD2 ASN 46 -15.182 -6.411 9.242 324 2HD2 ASN 46 2HD2 ASN 46 -16.503 -5.934 8.197 325 H ASN 47 H ASN 47 -11.003 -3.120 5.553 326 HA ASN 47 HA ASN 47 -12.624 -0.688 5.822 327 1HB ASN 47 1HB ASN 47 -10.348 0.577 6.153 328 2HB ASN 47 2HB ASN 47 -11.191 -0.110 7.559 329 1HD2 ASN 47 1HD2 ASN 47 -8.600 -0.729 5.158 330 2HD2 ASN 47 2HD2 ASN 47 -7.657 -1.791 6.181 331 H VAL 48 H VAL 48 -12.549 0.579 3.990 332 HA VAL 48 HA VAL 48 -11.150 -0.628 1.697 333 HB VAL 48 HB VAL 48 -13.066 1.732 1.781 334 1HG1 VAL 48 1HG1 VAL 48 -12.577 1.824 -0.418 335 2HG1 VAL 48 2HG1 VAL 48 -11.510 0.407 -0.275 336 3HG1 VAL 48 3HG1 VAL 48 -13.247 0.185 -0.595 337 1HG2 VAL 48 1HG2 VAL 48 -13.819 -1.099 1.037 338 2HG2 VAL 48 2HG2 VAL 48 -13.842 -0.589 2.742 339 3HG2 VAL 48 3HG2 VAL 48 -14.867 0.245 1.550 340 H VAL 49 H VAL 49 -9.216 0.084 1.040 341 HA VAL 49 HA VAL 49 -8.557 2.947 1.477 342 HB VAL 49 HB VAL 49 -6.811 0.546 2.149 343 1HG1 VAL 49 1HG1 VAL 49 -4.987 1.947 2.289 344 2HG1 VAL 49 2HG1 VAL 49 -5.875 2.806 1.008 345 3HG1 VAL 49 3HG1 VAL 49 -5.977 3.370 2.693 346 1HG2 VAL 49 1HG2 VAL 49 -8.363 1.014 3.931 347 2HG2 VAL 49 2HG2 VAL 49 -6.805 1.733 4.405 348 3HG2 VAL 49 3HG2 VAL 49 -8.108 2.769 3.773 349 H THR 50 H THR 50 -7.518 3.899 -0.228 350 HA THR 50 HA THR 50 -7.195 2.214 -2.631 351 HB THR 50 HB THR 50 -7.447 5.169 -2.072 352 HG1 THR 50 1HG THR 50 -9.208 3.624 -2.557 353 1HG2 THR 50 1HG2 THR 50 -5.476 4.538 -3.684 354 2HG2 THR 50 2HG2 THR 50 -6.774 4.090 -4.816 355 3HG2 THR 50 3HG2 THR 50 -6.660 5.759 -4.208 356 H LEU 51 H LEU 51 -5.258 1.691 -3.502 357 HA LEU 51 HA LEU 51 -2.850 2.810 -2.152 358 1HB LEU 51 1HB LEU 51 -3.516 0.126 -3.361 359 2HB LEU 51 2HB LEU 51 -1.823 0.661 -3.239 360 HG LEU 51 HG LEU 51 -3.834 0.261 -0.996 361 1HD1 LEU 51 1HD1 LEU 51 -1.886 -1.381 -2.138 362 2HD1 LEU 51 2HD1 LEU 51 -1.072 -0.701 -0.709 363 3HD1 LEU 51 3HD1 LEU 51 -2.607 -1.584 -0.523 364 1HD2 LEU 51 1HD2 LEU 51 -2.801 2.360 -0.478 365 2HD2 LEU 51 2HD2 LEU 51 -1.915 1.136 0.462 366 3HD2 LEU 51 3HD2 LEU 51 -1.208 1.793 -1.034 367 H GLN 52 H GLN 52 -1.529 4.075 -3.320 368 HA GLN 52 HA GLN 52 -1.872 4.031 -6.282 369 1HB GLN 52 1HB GLN 52 -1.371 6.238 -4.287 370 2HB GLN 52 2HB GLN 52 -0.830 6.418 -5.973 371 1HG GLN 52 1HG GLN 52 -3.351 5.476 -6.376 372 2HG GLN 52 2HG GLN 52 -3.587 6.347 -4.845 373 1HE2 GLN 52 1HE2 GLN 52 -1.951 6.774 -8.039 374 2HE2 GLN 52 2HE2 GLN 52 -2.387 8.459 -8.227 375 H PHE 53 H PHE 53 -0.251 2.856 -7.145 376 HA PHE 53 HA PHE 53 2.505 3.522 -6.262 377 1HB PHE 53 1HB PHE 53 3.122 1.176 -6.337 378 2HB PHE 53 2HB PHE 53 1.801 1.414 -5.180 379 HD1 PHE 53 1HD PHE 53 -0.519 0.712 -5.775 380 HD2 PHE 53 2HD PHE 53 2.856 -0.203 -8.270 381 HE1 PHE 53 1HE PHE 53 -1.851 -1.027 -6.939 382 HE2 PHE 53 2HE PHE 53 1.524 -1.942 -9.433 383 HZ PHE 53 HZ PHE 53 -0.829 -2.354 -8.768 384 H GLN 54 H GLN 54 4.131 3.119 -7.904 385 HA GLN 54 HA GLN 54 2.966 3.343 -10.624 386 1HB GLN 54 1HB GLN 54 4.721 4.977 -9.399 387 2HB GLN 54 2HB GLN 54 5.870 3.805 -10.089 388 1HG GLN 54 1HG GLN 54 5.111 4.206 -12.308 389 2HG GLN 54 2HG GLN 54 3.643 5.032 -11.742 390 1HE2 GLN 54 1HE2 GLN 54 7.010 5.350 -12.568 391 2HE2 GLN 54 2HE2 GLN 54 7.156 7.068 -12.263 392 H ARG 55 H ARG 55 2.865 1.485 -11.735 393 HA ARG 55 HA ARG 55 4.136 -0.913 -11.045 394 1HB ARG 55 1HB ARG 55 2.401 0.047 -13.068 395 2HB ARG 55 2HB ARG 55 3.776 -0.707 -13.911 396 1HG ARG 55 1HG ARG 55 2.320 -2.042 -11.598 397 2HG ARG 55 2HG ARG 55 1.861 -2.284 -13.301 398 1HD ARG 55 1HD ARG 55 3.694 -3.566 -13.746 399 2HD ARG 55 2HD ARG 55 4.758 -2.577 -12.724 400 HE ARG 55 HE ARG 55 2.886 -4.099 -11.142 401 1HH1 ARG 55 1HH1 ARG 55 5.289 -6.556 -10.348 402 2HH1 ARG 55 2HH1 ARG 55 3.724 -5.887 -9.942 403 1HH2 ARG 55 1HH2 ARG 55 6.523 -5.647 -12.091 404 2HH2 ARG 55 2HH2 ARG 55 5.888 -4.294 -12.999 405 H ASN 56 H ASN 56 5.071 1.426 -13.637 406 HA ASN 56 HA ASN 56 7.812 0.263 -13.501 407 1HB ASN 56 1HB ASN 56 6.311 1.640 -15.756 408 2HB ASN 56 2HB ASN 56 8.035 1.214 -15.818 409 1HD2 ASN 56 1HD2 ASN 56 5.900 0.230 -17.564 410 2HD2 ASN 56 2HD2 ASN 56 5.833 -1.505 -17.346 411 H LEU 57 H LEU 57 9.585 1.651 -13.355 412 HA LEU 57 HA LEU 57 8.970 4.262 -12.179 413 1HB LEU 57 1HB LEU 57 10.655 2.895 -11.103 414 2HB LEU 57 2HB LEU 57 11.552 2.720 -12.631 415 HG LEU 57 HG LEU 57 11.966 5.150 -12.683 416 1HD1 LEU 57 1HD1 LEU 57 11.174 5.738 -9.943 417 2HD1 LEU 57 2HD1 LEU 57 10.750 6.593 -11.445 418 3HD1 LEU 57 3HD1 LEU 57 9.771 5.209 -10.903 419 1HD2 LEU 57 1HD2 LEU 57 13.062 3.278 -10.877 420 2HD2 LEU 57 2HD2 LEU 57 13.797 4.810 -11.407 421 3HD2 LEU 57 3HD2 LEU 57 12.816 4.760 -9.922 422 H SER 58 H SER 58 11.119 3.059 -14.826 423 HA SER 58 HA SER 58 11.873 5.468 -15.926 424 1HB SER 58 1HB SER 58 12.620 3.220 -16.682 425 2HB SER 58 2HB SER 58 11.036 2.973 -17.455 426 HG SER 58 HG SER 58 11.939 3.936 -19.081 427 H ASP 59 H ASP 59 8.811 3.680 -16.501 428 HA ASP 59 HA ASP 59 7.798 6.057 -17.972 429 1HB ASP 59 1HB ASP 59 7.777 3.665 -18.955 430 2HB ASP 59 2HB ASP 59 6.478 3.340 -17.787 431 HA PRO 60 HA PRO 60 5.266 7.082 -14.520 432 1HB PRO 60 1HB PRO 60 3.414 8.660 -15.747 433 2HB PRO 60 2HB PRO 60 5.138 9.143 -15.628 434 1HG PRO 60 1HG PRO 60 3.770 7.770 -17.960 435 2HG PRO 60 2HG PRO 60 4.768 9.259 -18.008 436 1HD PRO 60 1HD PRO 60 5.835 6.814 -18.566 437 2HD PRO 60 2HD PRO 60 6.764 8.013 -17.616 438 H ARG 61 H ARG 61 4.880 4.457 -15.380 439 HA ARG 61 HA ARG 61 2.138 4.015 -16.192 440 1HB ARG 61 1HB ARG 61 4.410 2.282 -15.195 441 2HB ARG 61 2HB ARG 61 2.775 1.619 -15.430 442 1HG ARG 61 1HG ARG 61 3.108 3.006 -17.768 443 2HG ARG 61 2HG ARG 61 4.782 2.498 -17.439 444 1HD ARG 61 1HD ARG 61 4.163 0.187 -17.350 445 2HD ARG 61 2HD ARG 61 2.431 0.581 -17.296 446 HE ARG 61 HE ARG 61 3.297 1.680 -19.677 447 1HH1 ARG 61 1HH1 ARG 61 3.276 -1.216 -21.689 448 2HH1 ARG 61 2HH1 ARG 61 3.239 0.532 -21.682 449 1HH2 ARG 61 1HH2 ARG 61 3.383 -2.384 -19.687 450 2HH2 ARG 61 2HH2 ARG 61 3.427 -1.515 -18.169 451 H LEU 62 H LEU 62 1.154 5.450 -14.533 452 HA LEU 62 HA LEU 62 1.283 4.622 -11.755 453 1HB LEU 62 1HB LEU 62 0.350 6.865 -13.269 454 2HB LEU 62 2HB LEU 62 -1.016 6.242 -12.313 455 HG LEU 62 HG LEU 62 0.437 7.948 -11.113 456 1HD1 LEU 62 1HD1 LEU 62 -0.745 5.558 -10.212 457 2HD1 LEU 62 2HD1 LEU 62 0.852 5.598 -9.428 458 3HD1 LEU 62 3HD1 LEU 62 -0.279 6.956 -9.214 459 1HD2 LEU 62 1HD2 LEU 62 2.525 6.558 -12.182 460 2HD2 LEU 62 2HD2 LEU 62 2.664 7.577 -10.728 461 3HD2 LEU 62 3HD2 LEU 62 2.446 5.817 -10.565 462 H GLU 63 H GLU 63 -0.100 3.315 -10.635 463 HA GLU 63 HA GLU 63 -2.506 2.324 -12.066 464 1HB GLU 63 1HB GLU 63 -0.374 0.636 -10.701 465 2HB GLU 63 2HB GLU 63 -1.955 0.025 -11.244 466 1HG GLU 63 1HG GLU 63 -1.419 0.792 -13.558 467 2HG GLU 63 2HG GLU 63 0.187 1.303 -12.993 468 H THR 64 H THR 64 -4.283 2.066 -10.773 469 HA THR 64 HA THR 64 -3.863 2.644 -7.879 470 HB THR 64 HB THR 64 -6.374 3.332 -8.111 471 HG1 THR 64 1HG THR 64 -6.799 4.086 -10.237 472 1HG2 THR 64 1HG2 THR 64 -5.513 5.416 -7.951 473 2HG2 THR 64 2HG2 THR 64 -3.919 4.692 -8.274 474 3HG2 THR 64 3HG2 THR 64 -4.886 5.350 -9.616 475 H ILE 65 H ILE 65 -4.800 1.314 -6.363 476 HA ILE 65 HA ILE 65 -6.493 -0.910 -7.358 477 HB ILE 65 HB ILE 65 -4.042 -1.588 -7.195 478 1HG1 ILE 65 1HG1 ILE 65 -6.016 -2.944 -5.307 479 2HG1 ILE 65 2HG1 ILE 65 -5.934 -3.198 -7.067 480 1HG2 ILE 65 1HG2 ILE 65 -3.981 -0.129 -4.934 481 2HG2 ILE 65 2HG2 ILE 65 -4.406 -1.704 -4.222 482 3HG2 ILE 65 3HG2 ILE 65 -2.916 -1.534 -5.181 483 1HD1 ILE 65 1HD1 ILE 65 -3.983 -4.030 -4.920 484 2HD1 ILE 65 2HD1 ILE 65 -4.627 -4.971 -6.287 485 3HD1 ILE 65 3HD1 ILE 65 -3.389 -3.724 -6.570 486 H THR 66 H THR 66 -8.255 -1.184 -6.109 487 HA THR 66 HA THR 66 -8.280 0.219 -3.489 488 HB THR 66 HB THR 66 -10.475 -0.672 -5.392 489 HG1 THR 66 1HG THR 66 -9.320 1.301 -5.784 490 1HG2 THR 66 1HG2 THR 66 -11.993 -0.535 -3.721 491 2HG2 THR 66 2HG2 THR 66 -10.618 -0.600 -2.593 492 3HG2 THR 66 3HG2 THR 66 -11.276 0.973 -3.104 493 H LEU 67 H LEU 67 -8.177 -0.959 -1.678 494 HA LEU 67 HA LEU 67 -8.568 -3.884 -1.896 495 1HB LEU 67 1HB LEU 67 -7.474 -2.225 0.407 496 2HB LEU 67 2HB LEU 67 -7.377 -3.992 0.212 497 HG LEU 67 HG LEU 67 -6.301 -2.265 -1.999 498 1HD1 LEU 67 1HD1 LEU 67 -4.571 -1.401 -0.819 499 2HD1 LEU 67 2HD1 LEU 67 -5.515 -1.789 0.639 500 3HD1 LEU 67 3HD1 LEU 67 -4.294 -2.937 0.038 501 1HD2 LEU 67 1HD2 LEU 67 -4.787 -4.564 -0.911 502 2HD2 LEU 67 2HD2 LEU 67 -6.420 -4.974 -1.486 503 3HD2 LEU 67 3HD2 LEU 67 -5.257 -4.199 -2.589 504 H GLN 68 H GLN 68 -10.377 -4.839 -1.177 505 HA GLN 68 HA GLN 68 -12.399 -3.195 0.157 506 1HB GLN 68 1HB GLN 68 -12.375 -6.090 -0.784 507 2HB GLN 68 2HB GLN 68 -13.793 -5.245 -0.116 508 1HG GLN 68 1HG GLN 68 -12.240 -4.101 -2.451 509 2HG GLN 68 2HG GLN 68 -13.509 -5.320 -2.702 510 1HE2 GLN 68 1HE2 GLN 68 -12.788 -1.993 -1.884 511 2HE2 GLN 68 2HE2 GLN 68 -14.441 -1.423 -1.812 512 H LYS 69 H LYS 69 -13.707 -4.687 1.893 513 HA LYS 69 HA LYS 69 -12.202 -4.615 4.246 514 1HB LYS 69 1HB LYS 69 -14.512 -6.521 3.765 515 2HB LYS 69 2HB LYS 69 -14.059 -5.689 5.272 516 1HG LYS 69 1HG LYS 69 -15.498 -4.047 4.700 517 2HG LYS 69 2HG LYS 69 -14.396 -3.636 3.364 518 1HD LYS 69 1HD LYS 69 -15.553 -5.342 1.941 519 2HD LYS 69 2HD LYS 69 -16.704 -5.624 3.269 520 1HE LYS 69 1HE LYS 69 -16.617 -2.825 2.944 521 2HE LYS 69 2HE LYS 69 -16.645 -3.482 1.293 522 1HZ LYS 69 1HZ LYS 69 -18.730 -3.284 3.091 523 2HZ LYS 69 2HZ LYS 69 -18.754 -3.901 1.562 524 3HZ LYS 69 3HZ LYS 69 -18.451 -4.891 2.845 525 H TRP 70 H TRP 70 -10.812 -5.974 5.265 526 HA TRP 70 HA TRP 70 -9.305 -7.694 5.458 527 1HB TRP 70 1HB TRP 70 -11.615 -9.413 4.524 528 2HB TRP 70 2HB TRP 70 -10.268 -9.885 5.569 529 HD1 TRP 70 HD TRP 70 -13.765 -8.871 5.713 530 HE1 TRP 70 1HE TRP 70 -14.501 -8.246 8.070 531 HE3 TRP 70 3HE TRP 70 -9.162 -8.467 7.915 532 HZ2 TRP 70 2HZ TRP 70 -13.252 -7.641 10.609 533 HZ3 TRP 70 3HZ TRP 70 -8.976 -7.865 10.300 534 HH2 TRP 70 HH TRP 70 -11.005 -7.450 11.658 535 H GLY 71 H GLY 71 -9.471 -6.324 2.848 536 1HA GLY 71 1HA GLY 71 -9.071 -8.432 0.853 537 2HA GLY 71 2HA GLY 71 -8.961 -6.675 0.600 538 H SER 72 H SER 72 -7.086 -8.734 -0.319 539 HA SER 72 HA SER 72 -4.660 -7.655 1.004 540 1HB SER 72 1HB SER 72 -4.482 -10.484 0.162 541 2HB SER 72 2HB SER 72 -3.868 -9.685 1.630 542 HG SER 72 HG SER 72 -6.190 -9.601 2.237 543 H TRP 73 H TRP 73 -2.718 -7.865 -0.362 544 HA TRP 73 HA TRP 73 -3.387 -8.206 -3.242 545 1HB TRP 73 1HB TRP 73 -3.317 -5.797 -2.510 546 2HB TRP 73 2HB TRP 73 -1.619 -6.039 -2.074 547 HD1 TRP 73 HD TRP 73 -3.082 -7.545 -5.260 548 HE1 TRP 73 1HE TRP 73 -2.013 -6.465 -7.304 549 HE3 TRP 73 3HE TRP 73 -0.419 -3.851 -2.922 550 HZ2 TRP 73 2HZ TRP 73 -0.219 -4.265 -7.868 551 HZ3 TRP 73 3HZ TRP 73 0.956 -2.286 -4.244 552 HH2 TRP 73 HH TRP 73 1.067 -2.479 -6.711 553 H ASN 74 H ASN 74 -1.967 -9.444 -4.352 554 HA ASN 74 HA ASN 74 0.743 -9.833 -3.226 555 1HB ASN 74 1HB ASN 74 0.489 -12.303 -3.603 556 2HB ASN 74 2HB ASN 74 -0.513 -11.665 -2.281 557 1HD2 ASN 74 1HD2 ASN 74 -2.801 -11.399 -2.604 558 2HD2 ASN 74 2HD2 ASN 74 -3.636 -12.284 -3.862 559 HA PRO 75 HA PRO 75 0.633 -9.192 -7.809 560 1HB PRO 75 1HB PRO 75 2.528 -7.237 -7.907 561 2HB PRO 75 2HB PRO 75 0.833 -6.888 -7.436 562 1HG PRO 75 1HG PRO 75 3.181 -7.420 -5.593 563 2HG PRO 75 2HG PRO 75 2.046 -6.032 -5.537 564 1HD PRO 75 1HD PRO 75 1.680 -8.231 -3.969 565 2HD PRO 75 2HD PRO 75 0.281 -7.422 -4.738 566 H GLY 76 H GLY 76 3.825 -8.402 -6.401 567 1HA GLY 76 1HA GLY 76 5.178 -10.715 -6.227 568 2HA GLY 76 2HA GLY 76 5.025 -10.559 -7.991 569 H HIS 77 H HIS 77 5.857 -8.505 -5.137 570 HA HIS 77 HA HIS 77 7.592 -7.050 -4.800 571 1HB HIS 77 1HB HIS 77 9.010 -8.926 -5.517 572 2HB HIS 77 2HB HIS 77 8.783 -8.460 -7.213 573 HD1 HIS 77 1HD HIS 77 9.393 -5.424 -7.177 574 HD2 HIS 77 2HD HIS 77 11.464 -8.327 -4.922 575 HE1 HIS 77 1HE HIS 77 11.692 -4.419 -6.620 576 HE2 HIS 77 2HE HIS 77 12.941 -6.191 -5.251 577 H ILE 78 H ILE 78 6.439 -5.168 -5.214 578 HA ILE 78 HA ILE 78 6.210 -4.241 -7.999 579 HB ILE 78 HB ILE 78 5.289 -3.004 -5.375 580 1HG1 ILE 78 1HG1 ILE 78 4.362 -5.319 -6.468 581 2HG1 ILE 78 2HG1 ILE 78 3.326 -4.168 -5.590 582 1HG2 ILE 78 1HG2 ILE 78 3.880 -1.603 -6.842 583 2HG2 ILE 78 2HG2 ILE 78 5.604 -1.376 -7.222 584 3HG2 ILE 78 3HG2 ILE 78 4.585 -2.386 -8.277 585 1HD1 ILE 78 1HD1 ILE 78 3.782 -4.228 -8.604 586 2HD1 ILE 78 2HD1 ILE 78 2.311 -4.765 -7.757 587 3HD1 ILE 78 3HD1 ILE 78 2.773 -3.046 -7.736 588 H HIS 79 H HIS 79 7.155 -2.318 -8.773 589 HA HIS 79 HA HIS 79 9.794 -1.820 -8.167 590 1HB HIS 79 1HB HIS 79 8.975 -0.869 -10.137 591 2HB HIS 79 2HB HIS 79 7.588 -0.125 -9.321 592 HD1 HIS 79 1HD HIS 79 11.399 0.294 -8.627 593 HD2 HIS 79 2HD HIS 79 7.880 2.444 -9.520 594 HE1 HIS 79 1HE HIS 79 12.028 2.785 -8.579 595 HE2 HIS 79 2HE HIS 79 9.883 4.080 -9.122 596 H GLU 80 H GLU 80 7.320 0.644 -7.308 597 HA GLU 80 HA GLU 80 8.148 0.673 -4.523 598 1HB GLU 80 1HB GLU 80 10.006 1.892 -5.720 599 2HB GLU 80 2HB GLU 80 8.800 3.091 -6.247 600 1HG GLU 80 1HG GLU 80 8.257 2.919 -3.560 601 2HG GLU 80 2HG GLU 80 10.015 2.659 -3.576 602 H ILE 81 H ILE 81 6.749 1.935 -3.227 603 HA ILE 81 HA ILE 81 4.150 2.412 -4.461 604 HB ILE 81 HB ILE 81 5.217 2.677 -1.627 605 1HG1 ILE 81 1HG1 ILE 81 5.018 0.374 -2.519 606 2HG1 ILE 81 2HG1 ILE 81 3.802 0.681 -1.256 607 1HG2 ILE 81 1HG2 ILE 81 3.433 4.271 -1.822 608 2HG2 ILE 81 2HG2 ILE 81 2.456 3.156 -2.807 609 3HG2 ILE 81 3HG2 ILE 81 2.722 2.817 -1.080 610 1HD1 ILE 81 1HD1 ILE 81 2.432 1.499 -3.474 611 2HD1 ILE 81 2HD1 ILE 81 3.447 0.215 -4.174 612 3HD1 ILE 81 3HD1 ILE 81 2.354 -0.154 -2.818 613 H LEU 82 H LEU 82 3.179 4.368 -4.852 614 HA LEU 82 HA LEU 82 4.971 6.702 -4.838 615 1HB LEU 82 1HB LEU 82 2.142 6.380 -5.911 616 2HB LEU 82 2HB LEU 82 3.263 7.721 -6.246 617 HG LEU 82 HG LEU 82 3.241 4.933 -7.316 618 1HD1 LEU 82 1HD1 LEU 82 4.397 6.250 -9.209 619 2HD1 LEU 82 2HD1 LEU 82 2.712 6.689 -8.840 620 3HD1 LEU 82 3HD1 LEU 82 4.046 7.709 -8.251 621 1HD2 LEU 82 1HD2 LEU 82 5.763 5.208 -7.766 622 2HD2 LEU 82 2HD2 LEU 82 5.748 6.422 -6.464 623 3HD2 LEU 82 3HD2 LEU 82 5.293 4.737 -6.115 624 H SER 83 H SER 83 1.498 6.185 -3.990 625 HA SER 83 HA SER 83 1.957 7.625 -1.455 626 1HB SER 83 1HB SER 83 1.356 9.307 -3.255 627 2HB SER 83 2HB SER 83 -0.207 8.471 -3.414 628 HG SER 83 HG SER 83 0.685 9.224 -0.868 629 H ILE 84 H ILE 84 -0.173 7.622 -0.150 630 HA ILE 84 HA ILE 84 -1.778 5.202 -0.777 631 HB ILE 84 HB ILE 84 -0.343 5.863 1.818 632 1HG1 ILE 84 1HG1 ILE 84 -0.352 3.465 -0.064 633 2HG1 ILE 84 2HG1 ILE 84 0.982 4.619 0.177 634 1HG2 ILE 84 1HG2 ILE 84 -1.556 3.706 2.574 635 2HG2 ILE 84 2HG2 ILE 84 -2.516 5.204 2.521 636 3HG2 ILE 84 3HG2 ILE 84 -2.665 4.005 1.214 637 1HD1 ILE 84 1HD1 ILE 84 1.565 2.780 1.551 638 2HD1 ILE 84 2HD1 ILE 84 0.840 3.948 2.682 639 3HD1 ILE 84 3HD1 ILE 84 -0.110 2.555 2.111 640 H ARG 85 H ARG 85 -3.925 5.509 -0.510 641 HA ARG 85 HA ARG 85 -4.764 7.934 1.011 642 1HB ARG 85 1HB ARG 85 -5.135 8.452 -1.276 643 2HB ARG 85 2HB ARG 85 -5.726 6.812 -1.636 644 1HG ARG 85 1HG ARG 85 -7.723 7.180 -0.290 645 2HG ARG 85 2HG ARG 85 -7.110 8.760 0.255 646 1HD ARG 85 1HD ARG 85 -7.420 9.751 -1.844 647 2HD ARG 85 2HD ARG 85 -7.396 8.192 -2.695 648 HE ARG 85 HE ARG 85 -9.629 8.095 -1.030 649 1HH1 ARG 85 1HH1 ARG 85 -11.903 9.749 -3.160 650 2HH1 ARG 85 2HH1 ARG 85 -11.733 8.677 -1.788 651 1HH2 ARG 85 1HH2 ARG 85 -10.015 10.587 -4.219 652 2HH2 ARG 85 2HH2 ARG 85 -8.422 10.146 -3.645 653 H ILE 86 H ILE 86 -6.216 7.590 2.601 654 HA ILE 86 HA ILE 86 -7.483 4.894 2.708 655 HB ILE 86 HB ILE 86 -6.810 6.792 4.989 656 1HG1 ILE 86 1HG1 ILE 86 -5.463 4.154 4.336 657 2HG1 ILE 86 2HG1 ILE 86 -4.867 5.694 3.671 658 1HG2 ILE 86 1HG2 ILE 86 -7.191 3.953 5.579 659 2HG2 ILE 86 2HG2 ILE 86 -7.972 5.375 6.311 660 3HG2 ILE 86 3HG2 ILE 86 -8.636 4.664 4.821 661 1HD1 ILE 86 1HD1 ILE 86 -3.721 5.060 5.802 662 2HD1 ILE 86 2HD1 ILE 86 -4.596 6.604 5.929 663 3HD1 ILE 86 3HD1 ILE 86 -5.292 5.126 6.635 664 H TYR 87 H TYR 87 -9.678 4.758 2.897 665 HA TYR 87 HA TYR 87 -11.176 7.239 2.485 666 1HB TYR 87 1HB TYR 87 -11.843 4.290 2.509 667 2HB TYR 87 2HB TYR 87 -13.107 5.529 2.442 668 HD1 TYR 87 1HD TYR 87 -13.995 5.674 0.313 669 HD2 TYR 87 2HD TYR 87 -9.755 5.159 0.772 670 HE1 TYR 87 1HE TYR 87 -13.710 5.833 -2.145 671 HE2 TYR 87 2HE TYR 87 -9.470 5.318 -1.686 672 HH TYR 87 HH TYR 87 -10.917 4.940 -3.795 Start of MODEL 21 1 H MET 1 H MET 1 -3.175 13.499 6.799 2 HA MET 1 HA MET 1 -2.976 13.175 9.068 3 1HB MET 1 1HB MET 1 -5.848 12.484 8.608 4 2HB MET 1 2HB MET 1 -5.102 11.905 10.117 5 1HG MET 1 1HG MET 1 -4.369 14.168 10.663 6 2HG MET 1 2HG MET 1 -4.993 14.773 9.119 7 1HE MET 1 1HE MET 1 -5.913 16.632 10.850 8 2HE MET 1 2HE MET 1 -7.230 16.337 12.011 9 3HE MET 1 3HE MET 1 -5.597 15.706 12.337 10 H ILE 2 H ILE 2 -2.208 11.263 6.925 11 HA ILE 2 HA ILE 2 -2.544 8.631 8.187 12 HB ILE 2 HB ILE 2 -2.662 8.882 5.727 13 1HG1 ILE 2 1HG1 ILE 2 -0.166 7.398 6.655 14 2HG1 ILE 2 2HG1 ILE 2 -1.828 6.771 6.771 15 1HG2 ILE 2 1HG2 ILE 2 0.128 9.190 5.142 16 2HG2 ILE 2 2HG2 ILE 2 -1.220 10.253 4.672 17 3HG2 ILE 2 3HG2 ILE 2 -0.358 10.533 6.204 18 1HD1 ILE 2 1HD1 ILE 2 -2.065 6.973 4.308 19 2HD1 ILE 2 2HD1 ILE 2 -0.391 7.570 4.203 20 3HD1 ILE 2 3HD1 ILE 2 -0.710 5.906 4.747 21 H ASN 3 H ASN 3 -0.967 7.513 9.279 22 HA ASN 3 HA ASN 3 1.720 8.748 9.464 23 1HB ASN 3 1HB ASN 3 -0.310 8.486 11.622 24 2HB ASN 3 2HB ASN 3 1.340 7.976 12.040 25 1HD2 ASN 3 1HD2 ASN 3 2.963 9.500 12.286 26 2HD2 ASN 3 2HD2 ASN 3 2.691 11.225 12.160 27 H ARG 4 H ARG 4 3.372 7.266 10.122 28 HA ARG 4 HA ARG 4 2.805 4.537 9.275 29 1HB ARG 4 1HB ARG 4 4.994 6.191 9.143 30 2HB ARG 4 2HB ARG 4 5.418 5.150 10.524 31 1HG ARG 4 1HG ARG 4 4.414 4.072 7.860 32 2HG ARG 4 2HG ARG 4 6.140 4.262 8.252 33 1HD ARG 4 1HD ARG 4 4.475 2.866 10.293 34 2HD ARG 4 2HD ARG 4 4.725 1.996 8.764 35 HE ARG 4 HE ARG 4 7.034 1.854 9.216 36 1HH1 ARG 4 1HH1 ARG 4 8.571 2.593 12.303 37 2HH1 ARG 4 2HH1 ARG 4 8.760 1.808 10.752 38 1HH2 ARG 4 1HH2 ARG 4 6.587 3.680 12.820 39 2HH2 ARG 4 2HH2 ARG 4 5.280 3.715 11.658 40 H THR 5 H THR 5 1.791 3.192 10.656 41 HA THR 5 HA THR 5 2.619 3.306 13.518 42 HB THR 5 HB THR 5 0.221 3.879 12.988 43 HG1 THR 5 1HG THR 5 0.377 3.123 14.972 44 1HG2 THR 5 1HG2 THR 5 0.506 1.373 11.498 45 2HG2 THR 5 2HG2 THR 5 -0.872 1.321 12.624 46 3HG2 THR 5 3HG2 THR 5 -0.771 2.610 11.400 47 H ASP 6 H ASP 6 2.898 1.298 14.629 48 HA ASP 6 HA ASP 6 3.866 -0.827 12.833 49 1HB ASP 6 1HB ASP 6 5.001 0.222 14.997 50 2HB ASP 6 2HB ASP 6 3.986 -0.976 15.829 51 H CYS 7 H CYS 7 0.997 -0.345 12.975 52 HA CYS 7 HA CYS 7 -0.896 -1.637 13.035 53 1HB CYS 7 1HB CYS 7 0.372 -4.037 14.196 54 2HB CYS 7 2HB CYS 7 -0.645 -3.866 12.756 55 H ASN 8 H ASN 8 -2.489 -1.580 14.531 56 HA ASN 8 HA ASN 8 -1.852 -2.228 17.334 57 1HB ASN 8 1HB ASN 8 -2.974 -0.073 18.050 58 2HB ASN 8 2HB ASN 8 -1.365 0.117 17.321 59 1HD2 ASN 8 1HD2 ASN 8 -1.228 0.781 15.049 60 2HD2 ASN 8 2HD2 ASN 8 -2.514 1.746 14.355 61 H GLU 9 H GLU 9 -3.296 -3.863 17.554 62 HA GLU 9 HA GLU 9 -5.382 -4.764 17.944 63 1HB GLU 9 1HB GLU 9 -6.607 -2.208 16.860 64 2HB GLU 9 2HB GLU 9 -7.338 -3.398 17.962 65 1HG GLU 9 1HG GLU 9 -4.779 -2.010 18.749 66 2HG GLU 9 2HG GLU 9 -6.327 -1.155 18.921 67 H ASN 10 H ASN 10 -3.804 -4.562 15.306 68 HA ASN 10 HA ASN 10 -4.063 -5.170 13.104 69 1HB ASN 10 1HB ASN 10 -6.256 -6.866 14.353 70 2HB ASN 10 2HB ASN 10 -5.481 -7.156 12.780 71 1HD2 ASN 10 1HD2 ASN 10 -4.129 -8.854 12.922 72 2HD2 ASN 10 2HD2 ASN 10 -3.013 -9.158 14.237 73 H SER 11 H SER 11 -6.114 -5.821 11.452 74 HA SER 11 HA SER 11 -7.884 -4.980 10.262 75 1HB SER 11 1HB SER 11 -9.688 -4.029 11.395 76 2HB SER 11 2HB SER 11 -8.872 -4.926 12.698 77 HG SER 11 HG SER 11 -8.833 -2.161 12.137 78 H TYR 12 H TYR 12 -5.725 -3.995 9.345 79 HA TYR 12 HA TYR 12 -6.334 -1.225 8.734 80 1HB TYR 12 1HB TYR 12 -3.979 -1.977 10.472 81 2HB TYR 12 2HB TYR 12 -3.941 -0.540 9.436 82 HD1 TYR 12 1HD TYR 12 -5.776 1.220 9.745 83 HD2 TYR 12 2HD TYR 12 -5.018 -1.917 12.581 84 HE1 TYR 12 1HE TYR 12 -6.970 2.511 11.493 85 HE2 TYR 12 2HE TYR 12 -6.212 -0.625 14.329 86 HH TYR 12 HH TYR 12 -6.759 2.364 14.441 87 H LEU 13 H LEU 13 -4.301 -0.349 7.368 88 HA LEU 13 HA LEU 13 -3.901 -2.402 5.306 89 1HB LEU 13 1HB LEU 13 -4.522 -0.375 4.341 90 2HB LEU 13 2HB LEU 13 -3.585 0.587 5.508 91 HG LEU 13 HG LEU 13 -1.513 -0.637 4.449 92 1HD1 LEU 13 1HD1 LEU 13 -2.118 -0.892 1.891 93 2HD1 LEU 13 2HD1 LEU 13 -2.434 -2.237 3.014 94 3HD1 LEU 13 3HD1 LEU 13 -3.764 -1.167 2.510 95 1HD2 LEU 13 1HD2 LEU 13 -1.270 1.527 3.848 96 2HD2 LEU 13 2HD2 LEU 13 -2.135 1.127 2.345 97 3HD2 LEU 13 3HD2 LEU 13 -3.032 1.757 3.748 98 H GLU 14 H GLU 14 -2.098 -3.594 5.130 99 HA GLU 14 HA GLU 14 0.421 -2.484 6.245 100 1HB GLU 14 1HB GLU 14 -0.581 -5.325 6.669 101 2HB GLU 14 2HB GLU 14 0.941 -4.630 7.276 102 1HG GLU 14 1HG GLU 14 -0.220 -4.083 9.137 103 2HG GLU 14 2HG GLU 14 -0.979 -2.816 8.149 104 H ILE 15 H ILE 15 1.872 -2.402 4.646 105 HA ILE 15 HA ILE 15 1.608 -4.359 2.422 106 HB ILE 15 HB ILE 15 3.154 -1.742 2.500 107 1HG1 ILE 15 1HG1 ILE 15 0.561 -2.101 1.021 108 2HG1 ILE 15 2HG1 ILE 15 0.499 -1.794 2.773 109 1HG2 ILE 15 1HG2 ILE 15 2.552 -2.210 -0.092 110 2HG2 ILE 15 2HG2 ILE 15 4.027 -2.845 0.676 111 3HG2 ILE 15 3HG2 ILE 15 2.599 -3.891 0.492 112 1HD1 ILE 15 1HD1 ILE 15 2.399 -0.064 1.301 113 2HD1 ILE 15 2HD1 ILE 15 0.694 0.164 0.842 114 3HD1 ILE 15 3HD1 ILE 15 1.193 0.361 2.539 115 H HIS 16 H HIS 16 3.027 -5.991 2.359 116 HA HIS 16 HA HIS 16 5.623 -5.614 3.779 117 1HB HIS 16 1HB HIS 16 5.591 -8.028 4.164 118 2HB HIS 16 2HB HIS 16 4.138 -7.266 4.839 119 HD1 HIS 16 1HD HIS 16 5.179 -9.934 2.412 120 HD2 HIS 16 2HD HIS 16 1.802 -7.575 3.326 121 HE1 HIS 16 1HE HIS 16 3.168 -11.057 1.273 122 HE2 HIS 16 2HE HIS 16 1.124 -9.616 1.835 123 H ASN 17 H ASN 17 6.993 -5.004 2.153 124 HA ASN 17 HA ASN 17 6.921 -6.586 -0.359 125 1HB ASN 17 1HB ASN 17 8.361 -4.751 -1.230 126 2HB ASN 17 2HB ASN 17 6.786 -4.173 -0.644 127 1HD2 ASN 17 1HD2 ASN 17 8.618 -2.247 -0.859 128 2HD2 ASN 17 2HD2 ASN 17 9.282 -1.796 0.697 129 H ASN 18 H ASN 18 9.493 -6.311 -1.246 130 HA ASN 18 HA ASN 18 11.570 -7.258 -1.086 131 1HB ASN 18 1HB ASN 18 11.064 -6.387 1.760 132 2HB ASN 18 2HB ASN 18 12.532 -7.297 1.342 133 1HD2 ASN 18 1HD2 ASN 18 11.364 -4.237 1.791 134 2HD2 ASN 18 2HD2 ASN 18 12.440 -3.340 0.740 135 H GLU 19 H GLU 19 9.163 -8.916 -1.022 136 HA GLU 19 HA GLU 19 8.654 -11.136 -0.795 137 1HB GLU 19 1HB GLU 19 11.613 -11.210 -0.136 138 2HB GLU 19 2HB GLU 19 10.606 -12.677 -0.162 139 1HG GLU 19 1HG GLU 19 9.885 -12.041 -2.498 140 2HG GLU 19 2HG GLU 19 11.083 -10.730 -2.452 141 H GLY 20 H GLY 20 8.353 -9.177 1.421 142 1HA GLY 20 1HA GLY 20 7.322 -9.435 3.498 143 2HA GLY 20 2HA GLY 20 7.809 -11.145 3.523 144 H ARG 21 H ARG 21 9.900 -8.298 2.950 145 HA ARG 21 HA ARG 21 11.560 -9.171 5.241 146 1HB ARG 21 1HB ARG 21 12.400 -8.709 2.805 147 2HB ARG 21 2HB ARG 21 12.274 -6.996 3.272 148 1HG ARG 21 1HG ARG 21 13.704 -8.996 5.044 149 2HG ARG 21 2HG ARG 21 14.541 -8.217 3.680 150 1HD ARG 21 1HD ARG 21 13.130 -6.159 5.033 151 2HD ARG 21 2HD ARG 21 13.910 -7.137 6.294 152 HE ARG 21 HE ARG 21 15.701 -6.532 4.097 153 1HH1 ARG 21 1HH1 ARG 21 17.359 -4.040 5.962 154 2HH1 ARG 21 2HH1 ARG 21 17.421 -5.054 4.538 155 1HH2 ARG 21 1HH2 ARG 21 15.550 -4.179 7.409 156 2HH2 ARG 21 2HH2 ARG 21 14.247 -5.298 7.075 157 H ASP 22 H ASP 22 9.933 -6.274 3.871 158 HA ASP 22 HA ASP 22 10.049 -5.085 6.603 159 1HB ASP 22 1HB ASP 22 10.426 -3.815 3.876 160 2HB ASP 22 2HB ASP 22 10.009 -2.866 5.319 161 H THR 23 H THR 23 8.168 -4.126 7.362 162 HA THR 23 HA THR 23 5.821 -4.220 5.536 163 HB THR 23 HB THR 23 5.736 -5.040 8.456 164 HG1 THR 23 1HG THR 23 6.078 -6.585 6.103 165 1HG2 THR 23 1HG2 THR 23 3.620 -6.178 7.537 166 2HG2 THR 23 2HG2 THR 23 3.585 -4.402 7.634 167 3HG2 THR 23 3HG2 THR 23 3.864 -5.201 6.069 168 H LEU 24 H LEU 24 4.251 -2.624 5.900 169 HA LEU 24 HA LEU 24 4.905 -0.613 7.988 170 1HB LEU 24 1HB LEU 24 4.019 0.196 5.214 171 2HB LEU 24 2HB LEU 24 4.820 1.174 6.467 172 HG LEU 24 HG LEU 24 6.524 -1.052 5.908 173 1HD1 LEU 24 1HD1 LEU 24 6.138 0.477 3.358 174 2HD1 LEU 24 2HD1 LEU 24 6.713 -1.188 3.611 175 3HD1 LEU 24 3HD1 LEU 24 4.974 -0.821 3.720 176 1HD2 LEU 24 1HD2 LEU 24 8.108 0.619 5.728 177 2HD2 LEU 24 2HD2 LEU 24 7.049 1.664 4.752 178 3HD2 LEU 24 3HD2 LEU 24 6.811 1.552 6.512 179 H CYS 25 H CYS 25 3.182 -0.463 9.287 180 HA CYS 25 HA CYS 25 0.518 -1.135 8.192 181 1HB CYS 25 1HB CYS 25 1.131 -0.485 11.067 182 2HB CYS 25 2HB CYS 25 -0.134 -1.530 10.400 183 H PHE 26 H PHE 26 -0.732 0.474 7.460 184 HA PHE 26 HA PHE 26 -0.292 3.191 8.596 185 1HB PHE 26 1HB PHE 26 -1.404 2.239 5.940 186 2HB PHE 26 2HB PHE 26 -1.456 3.925 6.483 187 HD1 PHE 26 1HD PHE 26 0.470 1.415 4.807 188 HD2 PHE 26 2HD PHE 26 0.798 5.047 7.076 189 HE1 PHE 26 1HE PHE 26 2.751 1.773 3.903 190 HE2 PHE 26 2HE PHE 26 3.079 5.406 6.172 191 HZ PHE 26 HZ PHE 26 4.056 3.769 4.585 192 H ALA 27 H ALA 27 -2.053 4.401 9.322 193 HA ALA 27 HA ALA 27 -4.687 3.036 9.339 194 1HB ALA 27 1HB ALA 27 -2.998 3.854 11.690 195 2HB ALA 27 2HB ALA 27 -4.768 4.000 11.805 196 3HB ALA 27 3HB ALA 27 -4.025 2.416 11.476 197 H ASN 28 H ASN 28 -6.376 4.653 10.311 198 HA ASN 28 HA ASN 28 -7.379 6.724 10.271 199 1HB ASN 28 1HB ASN 28 -4.672 7.858 9.491 200 2HB ASN 28 2HB ASN 28 -6.054 8.733 10.185 201 1HD2 ASN 28 1HD2 ASN 28 -6.744 8.154 12.400 202 2HD2 ASN 28 2HD2 ASN 28 -5.541 7.585 13.538 203 H ALA 29 H ALA 29 -8.553 7.779 8.698 204 HA ALA 29 HA ALA 29 -8.399 6.765 6.043 205 1HB ALA 29 1HB ALA 29 -9.774 9.312 6.973 206 2HB ALA 29 2HB ALA 29 -10.203 8.291 5.579 207 3HB ALA 29 3HB ALA 29 -10.438 7.681 7.235 208 H GLY 30 H GLY 30 -6.392 8.945 7.623 209 1HA GLY 30 1HA GLY 30 -5.950 11.071 5.914 210 2HA GLY 30 2HA GLY 30 -4.663 10.235 6.811 211 H THR 31 H THR 31 -4.275 11.418 4.246 212 HA THR 31 HA THR 31 -3.554 8.978 2.730 213 HB THR 31 HB THR 31 -5.116 11.361 1.674 214 HG1 THR 31 1HG THR 31 -6.502 9.838 2.293 215 1HG2 THR 31 1HG2 THR 31 -4.767 10.438 -0.558 216 2HG2 THR 31 2HG2 THR 31 -3.182 10.747 0.190 217 3HG2 THR 31 3HG2 THR 31 -3.821 9.087 0.111 218 H MET 32 H MET 32 -1.423 9.046 2.369 219 HA MET 32 HA MET 32 -0.197 11.650 1.677 220 1HB MET 32 1HB MET 32 1.496 11.487 3.312 221 2HB MET 32 2HB MET 32 0.009 11.064 4.194 222 1HG MET 32 1HG MET 32 0.500 8.645 3.710 223 2HG MET 32 2HG MET 32 2.054 9.146 3.023 224 1HE MET 32 1HE MET 32 3.165 7.206 5.560 225 2HE MET 32 2HE MET 32 1.708 7.254 6.582 226 3HE MET 32 3HE MET 32 1.553 7.045 4.821 227 HA PRO 33 HA PRO 33 1.971 9.254 -1.290 228 1HB PRO 33 1HB PRO 33 4.302 10.635 -1.578 229 2HB PRO 33 2HB PRO 33 2.719 11.350 -2.024 230 1HG PRO 33 1HG PRO 33 4.220 11.694 0.587 231 2HG PRO 33 2HG PRO 33 3.565 12.987 -0.470 232 1HD PRO 33 1HD PRO 33 2.167 12.065 1.681 233 2HD PRO 33 2HD PRO 33 1.325 12.449 0.149 234 H VAL 34 H VAL 34 3.125 7.384 -1.229 235 HA VAL 34 HA VAL 34 5.205 7.102 0.876 236 HB VAL 34 HB VAL 34 4.357 4.930 1.489 237 1HG1 VAL 34 1HG1 VAL 34 2.715 5.768 2.817 238 2HG1 VAL 34 2HG1 VAL 34 3.038 7.314 1.996 239 3HG1 VAL 34 3HG1 VAL 34 1.723 6.260 1.424 240 1HG2 VAL 34 1HG2 VAL 34 2.921 5.237 -1.065 241 2HG2 VAL 34 2HG2 VAL 34 3.378 3.757 -0.187 242 3HG2 VAL 34 3HG2 VAL 34 1.886 4.626 0.248 243 H ALA 35 H ALA 35 6.708 5.291 0.421 244 HA ALA 35 HA ALA 35 6.827 4.649 -2.485 245 1HB ALA 35 1HB ALA 35 9.448 4.750 -1.825 246 2HB ALA 35 2HB ALA 35 8.555 6.151 -2.463 247 3HB ALA 35 3HB ALA 35 8.817 5.986 -0.710 248 H ILE 36 H ILE 36 6.476 2.509 -2.614 249 HA ILE 36 HA ILE 36 8.007 0.767 -0.750 250 HB ILE 36 HB ILE 36 5.071 0.661 -1.491 251 1HG1 ILE 36 1HG1 ILE 36 5.937 -0.050 1.219 252 2HG1 ILE 36 2HG1 ILE 36 6.496 1.571 0.741 253 1HG2 ILE 36 1HG2 ILE 36 6.283 -1.551 -1.917 254 2HG2 ILE 36 2HG2 ILE 36 6.660 -1.575 -0.178 255 3HG2 ILE 36 3HG2 ILE 36 4.966 -1.611 -0.721 256 1HD1 ILE 36 1HD1 ILE 36 3.756 1.138 -0.137 257 2HD1 ILE 36 2HD1 ILE 36 3.904 0.847 1.613 258 3HD1 ILE 36 3HD1 ILE 36 4.409 2.409 0.925 259 H TYR 37 H TYR 37 9.480 -0.218 -2.009 260 HA TYR 37 HA TYR 37 8.693 -0.940 -4.779 261 1HB TYR 37 1HB TYR 37 11.417 -0.859 -3.440 262 2HB TYR 37 2HB TYR 37 11.104 -1.186 -5.153 263 HD1 TYR 37 1HD TYR 37 10.908 1.415 -2.498 264 HD2 TYR 37 2HD TYR 37 10.766 0.580 -6.710 265 HE1 TYR 37 1HE TYR 37 11.032 3.844 -2.984 266 HE2 TYR 37 2HE TYR 37 10.890 3.009 -7.195 267 HH TYR 37 HH TYR 37 11.860 5.176 -5.810 268 H GLY 38 H GLY 38 8.829 -3.060 -5.527 269 1HA GLY 38 1HA GLY 38 8.977 -5.358 -5.410 270 2HA GLY 38 2HA GLY 38 9.919 -5.189 -3.911 271 H VAL 39 H VAL 39 6.551 -4.515 -5.040 272 HA VAL 39 HA VAL 39 5.498 -5.165 -2.398 273 HB VAL 39 HB VAL 39 4.073 -4.581 -5.024 274 1HG1 VAL 39 1HG1 VAL 39 2.822 -5.746 -3.097 275 2HG1 VAL 39 2HG1 VAL 39 3.068 -4.243 -2.177 276 3HG1 VAL 39 3HG1 VAL 39 2.128 -4.217 -3.688 277 1HG2 VAL 39 1HG2 VAL 39 4.128 -2.308 -4.471 278 2HG2 VAL 39 2HG2 VAL 39 4.439 -2.631 -2.748 279 3HG2 VAL 39 3HG2 VAL 39 5.742 -2.843 -3.942 280 H ASN 40 H ASN 40 5.156 -7.198 -1.740 281 HA ASN 40 HA ASN 40 4.775 -9.291 -3.810 282 1HB ASN 40 1HB ASN 40 5.225 -9.757 -0.860 283 2HB ASN 40 2HB ASN 40 5.591 -10.828 -2.230 284 1HD2 ASN 40 1HD2 ASN 40 7.350 -10.201 -3.706 285 2HD2 ASN 40 2HD2 ASN 40 8.685 -9.251 -3.087 286 H TRP 41 H TRP 41 3.354 -7.882 -0.844 287 HA TRP 41 HA TRP 41 0.705 -8.673 -1.713 288 1HB TRP 41 1HB TRP 41 1.404 -10.791 -0.783 289 2HB TRP 41 2HB TRP 41 2.001 -10.001 0.683 290 HD1 TRP 41 HD TRP 41 -0.260 -8.382 1.761 291 HE1 TRP 41 1HE TRP 41 -2.503 -9.348 2.483 292 HE3 TRP 41 3HE TRP 41 -0.180 -12.721 -0.952 293 HZ2 TRP 41 2HZ TRP 41 -4.080 -11.716 1.955 294 HZ3 TRP 41 3HZ TRP 41 -2.068 -14.304 -0.817 295 HH2 TRP 41 HH TRP 41 -4.021 -13.819 0.628 296 H VAL 42 H VAL 42 -0.919 -7.541 -0.602 297 HA VAL 42 HA VAL 42 0.069 -5.637 1.466 298 HB VAL 42 HB VAL 42 -1.683 -5.148 -0.961 299 1HG1 VAL 42 1HG1 VAL 42 -1.625 -2.746 0.293 300 2HG1 VAL 42 2HG1 VAL 42 -2.943 -3.921 0.518 301 3HG1 VAL 42 3HG1 VAL 42 -1.628 -3.818 1.714 302 1HG2 VAL 42 1HG2 VAL 42 0.005 -3.712 -1.643 303 2HG2 VAL 42 2HG2 VAL 42 0.534 -3.373 0.023 304 3HG2 VAL 42 3HG2 VAL 42 0.971 -4.913 -0.754 305 H GLU 43 H GLU 43 -1.247 -5.348 3.231 306 HA GLU 43 HA GLU 43 -3.567 -7.181 3.386 307 1HB GLU 43 1HB GLU 43 -1.889 -5.715 5.448 308 2HB GLU 43 2HB GLU 43 -3.386 -6.587 5.859 309 1HG GLU 43 1HG GLU 43 -2.416 -8.638 4.780 310 2HG GLU 43 2HG GLU 43 -0.895 -7.750 4.550 311 H SER 44 H SER 44 -5.600 -6.447 4.241 312 HA SER 44 HA SER 44 -6.038 -3.568 4.492 313 1HB SER 44 1HB SER 44 -7.641 -5.042 2.393 314 2HB SER 44 2HB SER 44 -7.463 -3.288 2.641 315 HG SER 44 HG SER 44 -5.244 -3.553 2.058 316 H GLY 45 H GLY 45 -6.577 -4.319 6.646 317 1HA GLY 45 1HA GLY 45 -8.388 -6.290 7.348 318 2HA GLY 45 2HA GLY 45 -8.191 -4.758 8.230 319 H ASN 46 H ASN 46 -10.559 -5.114 8.656 320 HA ASN 46 HA ASN 46 -12.451 -4.943 6.514 321 1HB ASN 46 1HB ASN 46 -12.742 -5.748 8.964 322 2HB ASN 46 2HB ASN 46 -12.943 -4.025 9.352 323 1HD2 ASN 46 1HD2 ASN 46 -14.948 -3.176 9.195 324 2HD2 ASN 46 2HD2 ASN 46 -16.280 -3.888 8.311 325 H ASN 47 H ASN 47 -10.794 -3.094 5.648 326 HA ASN 47 HA ASN 47 -12.342 -0.621 5.951 327 1HB ASN 47 1HB ASN 47 -10.053 0.607 6.216 328 2HB ASN 47 2HB ASN 47 -10.829 -0.097 7.650 329 1HD2 ASN 47 1HD2 ASN 47 -8.399 -0.756 5.088 330 2HD2 ASN 47 2HD2 ASN 47 -7.398 -1.812 6.061 331 H VAL 48 H VAL 48 -12.316 0.611 4.100 332 HA VAL 48 HA VAL 48 -10.994 -0.635 1.781 333 HB VAL 48 HB VAL 48 -12.880 1.746 1.873 334 1HG1 VAL 48 1HG1 VAL 48 -13.279 1.168 -0.459 335 2HG1 VAL 48 2HG1 VAL 48 -11.524 1.330 -0.209 336 3HG1 VAL 48 3HG1 VAL 48 -12.263 -0.286 -0.312 337 1HG2 VAL 48 1HG2 VAL 48 -13.348 -1.091 2.407 338 2HG2 VAL 48 2HG2 VAL 48 -14.466 0.286 2.553 339 3HG2 VAL 48 3HG2 VAL 48 -14.263 -0.533 0.986 340 H VAL 49 H VAL 49 -9.053 0.040 1.109 341 HA VAL 49 HA VAL 49 -8.381 2.914 1.445 342 HB VAL 49 HB VAL 49 -6.668 0.521 2.214 343 1HG1 VAL 49 1HG1 VAL 49 -5.667 2.645 0.906 344 2HG1 VAL 49 2HG1 VAL 49 -5.750 3.359 2.535 345 3HG1 VAL 49 3HG1 VAL 49 -4.799 1.880 2.259 346 1HG2 VAL 49 1HG2 VAL 49 -6.567 1.989 4.362 347 2HG2 VAL 49 2HG2 VAL 49 -7.986 2.822 3.682 348 3HG2 VAL 49 3HG2 VAL 49 -8.063 1.080 4.041 349 H THR 50 H THR 50 -7.295 3.800 -0.279 350 HA THR 50 HA THR 50 -7.020 2.037 -2.635 351 HB THR 50 HB THR 50 -7.456 4.943 -2.129 352 HG1 THR 50 1HG THR 50 -8.709 4.573 -4.037 353 1HG2 THR 50 1HG2 THR 50 -6.671 5.282 -4.600 354 2HG2 THR 50 2HG2 THR 50 -5.443 5.269 -3.312 355 3HG2 THR 50 3HG2 THR 50 -5.692 3.822 -4.319 356 H LEU 51 H LEU 51 -5.093 1.547 -3.577 357 HA LEU 51 HA LEU 51 -2.668 2.631 -2.226 358 1HB LEU 51 1HB LEU 51 -3.342 -0.035 -3.482 359 2HB LEU 51 2HB LEU 51 -1.650 0.492 -3.311 360 HG LEU 51 HG LEU 51 -3.703 -0.046 -1.152 361 1HD1 LEU 51 1HD1 LEU 51 -1.331 -1.304 -2.196 362 2HD1 LEU 51 2HD1 LEU 51 -1.020 -0.805 -0.516 363 3HD1 LEU 51 3HD1 LEU 51 -2.401 -1.865 -0.889 364 1HD2 LEU 51 1HD2 LEU 51 -2.957 2.071 -0.437 365 2HD2 LEU 51 2HD2 LEU 51 -1.828 0.958 0.372 366 3HD2 LEU 51 3HD2 LEU 51 -1.323 1.823 -1.099 367 H GLN 52 H GLN 52 -1.355 3.905 -3.393 368 HA GLN 52 HA GLN 52 -1.721 3.892 -6.351 369 1HB GLN 52 1HB GLN 52 -1.171 6.072 -4.337 370 2HB GLN 52 2HB GLN 52 -0.652 6.264 -6.029 371 1HG GLN 52 1HG GLN 52 -3.202 5.337 -6.376 372 2HG GLN 52 2HG GLN 52 -3.385 6.244 -4.859 373 1HE2 GLN 52 1HE2 GLN 52 -1.810 6.571 -8.096 374 2HE2 GLN 52 2HE2 GLN 52 -2.220 8.260 -8.312 375 H PHE 53 H PHE 53 -0.120 2.718 -7.250 376 HA PHE 53 HA PHE 53 2.651 3.335 -6.376 377 1HB PHE 53 1HB PHE 53 3.230 0.970 -6.543 378 2HB PHE 53 2HB PHE 53 1.967 1.221 -5.326 379 HD1 PHE 53 1HD PHE 53 -0.421 0.650 -5.887 380 HD2 PHE 53 2HD PHE 53 2.871 -0.431 -8.427 381 HE1 PHE 53 1HE PHE 53 -1.847 -1.035 -7.018 382 HE2 PHE 53 2HE PHE 53 1.444 -2.116 -9.558 383 HZ PHE 53 HZ PHE 53 -0.914 -2.417 -8.853 384 H GLN 54 H GLN 54 4.263 2.923 -8.040 385 HA GLN 54 HA GLN 54 3.077 3.206 -10.748 386 1HB GLN 54 1HB GLN 54 4.807 4.851 -9.528 387 2HB GLN 54 2HB GLN 54 5.979 3.690 -10.194 388 1HG GLN 54 1HG GLN 54 5.248 4.070 -12.427 389 2HG GLN 54 2HG GLN 54 3.763 4.885 -11.886 390 1HE2 GLN 54 1HE2 GLN 54 7.188 5.210 -12.552 391 2HE2 GLN 54 2HE2 GLN 54 7.295 6.938 -12.298 392 H ARG 55 H ARG 55 2.987 1.367 -11.889 393 HA ARG 55 HA ARG 55 4.205 -1.049 -11.263 394 1HB ARG 55 1HB ARG 55 2.379 -0.705 -12.925 395 2HB ARG 55 2HB ARG 55 3.564 0.010 -14.044 396 1HG ARG 55 1HG ARG 55 4.729 -2.032 -14.304 397 2HG ARG 55 2HG ARG 55 4.008 -2.734 -12.836 398 1HD ARG 55 1HD ARG 55 2.277 -1.915 -15.179 399 2HD ARG 55 2HD ARG 55 3.097 -3.491 -15.163 400 HE ARG 55 HE ARG 55 1.641 -2.977 -12.710 401 1HH1 ARG 55 1HH1 ARG 55 -0.990 -5.122 -13.668 402 2HH1 ARG 55 2HH1 ARG 55 -0.255 -4.247 -12.344 403 1HH2 ARG 55 1HH2 ARG 55 -0.062 -5.008 -15.792 404 2HH2 ARG 55 2HH2 ARG 55 1.373 -4.047 -16.070 405 H ASN 56 H ASN 56 5.326 1.299 -13.774 406 HA ASN 56 HA ASN 56 8.051 0.137 -13.433 407 1HB ASN 56 1HB ASN 56 6.738 1.490 -15.818 408 2HB ASN 56 2HB ASN 56 8.443 0.994 -15.747 409 1HD2 ASN 56 1HD2 ASN 56 5.497 0.090 -16.920 410 2HD2 ASN 56 2HD2 ASN 56 5.690 -1.650 -16.940 411 H LEU 57 H LEU 57 9.823 1.551 -13.275 412 HA LEU 57 HA LEU 57 9.140 4.160 -12.136 413 1HB LEU 57 1HB LEU 57 10.819 2.812 -11.016 414 2HB LEU 57 2HB LEU 57 11.763 2.666 -12.518 415 HG LEU 57 HG LEU 57 12.117 5.109 -12.545 416 1HD1 LEU 57 1HD1 LEU 57 9.893 5.079 -10.778 417 2HD1 LEU 57 2HD1 LEU 57 11.273 5.686 -9.833 418 3HD1 LEU 57 3HD1 LEU 57 10.806 6.497 -11.347 419 1HD2 LEU 57 1HD2 LEU 57 13.102 3.256 -10.560 420 2HD2 LEU 57 2HD2 LEU 57 13.950 4.620 -11.329 421 3HD2 LEU 57 3HD2 LEU 57 13.005 4.883 -9.844 422 H SER 58 H SER 58 11.311 2.948 -14.758 423 HA SER 58 HA SER 58 12.085 5.369 -15.842 424 1HB SER 58 1HB SER 58 12.310 2.706 -16.530 425 2HB SER 58 2HB SER 58 11.329 3.358 -17.864 426 HG SER 58 HG SER 58 13.032 4.333 -18.565 427 H ASP 59 H ASP 59 9.029 3.576 -16.393 428 HA ASP 59 HA ASP 59 8.036 5.893 -17.968 429 1HB ASP 59 1HB ASP 59 7.909 3.666 -19.031 430 2HB ASP 59 2HB ASP 59 6.951 3.068 -17.659 431 HA PRO 60 HA PRO 60 5.537 7.123 -14.559 432 1HB PRO 60 1HB PRO 60 3.710 8.675 -15.855 433 2HB PRO 60 2HB PRO 60 5.442 9.132 -15.761 434 1HG PRO 60 1HG PRO 60 4.045 7.677 -18.024 435 2HG PRO 60 2HG PRO 60 5.070 9.145 -18.143 436 1HD PRO 60 1HD PRO 60 6.092 6.658 -18.589 437 2HD PRO 60 2HD PRO 60 7.043 7.883 -17.697 438 H ARG 61 H ARG 61 5.103 4.467 -15.313 439 HA ARG 61 HA ARG 61 2.348 4.042 -16.089 440 1HB ARG 61 1HB ARG 61 4.726 2.425 -15.368 441 2HB ARG 61 2HB ARG 61 3.160 1.697 -14.932 442 1HG ARG 61 1HG ARG 61 3.700 2.880 -17.679 443 2HG ARG 61 2HG ARG 61 4.037 1.176 -17.289 444 1HD ARG 61 1HD ARG 61 1.874 0.717 -17.707 445 2HD ARG 61 2HD ARG 61 1.446 1.691 -16.284 446 HE ARG 61 HE ARG 61 0.685 3.358 -17.688 447 1HH1 ARG 61 1HH1 ARG 61 1.037 3.687 -21.182 448 2HH1 ARG 61 2HH1 ARG 61 0.267 4.323 -19.746 449 1HH2 ARG 61 1HH2 ARG 61 2.478 1.876 -21.022 450 2HH2 ARG 61 2HH2 ARG 61 2.795 1.145 -19.464 451 H LEU 62 H LEU 62 1.044 5.217 -14.645 452 HA LEU 62 HA LEU 62 1.292 4.614 -11.771 453 1HB LEU 62 1HB LEU 62 0.321 6.799 -13.392 454 2HB LEU 62 2HB LEU 62 -0.979 6.232 -12.316 455 HG LEU 62 HG LEU 62 0.675 8.015 -11.393 456 1HD1 LEU 62 1HD1 LEU 62 0.110 7.303 -9.284 457 2HD1 LEU 62 2HD1 LEU 62 -0.900 6.157 -10.197 458 3HD1 LEU 62 3HD1 LEU 62 0.688 5.645 -9.575 459 1HD2 LEU 62 1HD2 LEU 62 2.596 6.361 -12.291 460 2HD2 LEU 62 2HD2 LEU 62 2.835 7.393 -10.861 461 3HD2 LEU 62 3HD2 LEU 62 2.404 5.678 -10.659 462 H GLU 63 H GLU 63 -0.010 3.230 -10.689 463 HA GLU 63 HA GLU 63 -2.462 2.277 -12.077 464 1HB GLU 63 1HB GLU 63 -0.321 0.585 -10.732 465 2HB GLU 63 2HB GLU 63 -1.912 -0.022 -11.250 466 1HG GLU 63 1HG GLU 63 -0.331 -0.510 -13.012 467 2HG GLU 63 2HG GLU 63 -1.382 0.807 -13.575 468 H THR 64 H THR 64 -4.227 2.029 -10.767 469 HA THR 64 HA THR 64 -3.777 2.609 -7.877 470 HB THR 64 HB THR 64 -6.285 3.318 -8.088 471 HG1 THR 64 1HG THR 64 -5.450 3.760 -10.750 472 1HG2 THR 64 1HG2 THR 64 -3.752 4.667 -8.576 473 2HG2 THR 64 2HG2 THR 64 -5.063 5.444 -9.496 474 3HG2 THR 64 3HG2 THR 64 -5.199 5.264 -7.730 475 H ILE 65 H ILE 65 -4.727 1.294 -6.351 476 HA ILE 65 HA ILE 65 -6.437 -0.921 -7.335 477 HB ILE 65 HB ILE 65 -3.987 -1.611 -7.173 478 1HG1 ILE 65 1HG1 ILE 65 -5.940 -2.972 -5.268 479 2HG1 ILE 65 2HG1 ILE 65 -5.923 -3.191 -7.035 480 1HG2 ILE 65 1HG2 ILE 65 -3.043 -1.903 -4.953 481 2HG2 ILE 65 2HG2 ILE 65 -3.553 -0.206 -5.120 482 3HG2 ILE 65 3HG2 ILE 65 -4.552 -1.349 -4.191 483 1HD1 ILE 65 1HD1 ILE 65 -3.629 -4.061 -6.933 484 2HD1 ILE 65 2HD1 ILE 65 -3.576 -3.772 -5.178 485 3HD1 ILE 65 3HD1 ILE 65 -4.679 -4.999 -5.845 486 H THR 66 H THR 66 -8.209 -1.148 -6.093 487 HA THR 66 HA THR 66 -8.206 0.242 -3.467 488 HB THR 66 HB THR 66 -10.430 -0.614 -5.355 489 HG1 THR 66 1HG THR 66 -9.550 1.280 -5.992 490 1HG2 THR 66 1HG2 THR 66 -11.957 -0.321 -3.698 491 2HG2 THR 66 2HG2 THR 66 -10.585 -0.555 -2.588 492 3HG2 THR 66 3HG2 THR 66 -11.096 1.090 -3.038 493 H LEU 67 H LEU 67 -8.070 -0.961 -1.677 494 HA LEU 67 HA LEU 67 -8.566 -3.869 -1.904 495 1HB LEU 67 1HB LEU 67 -7.352 -2.258 0.374 496 2HB LEU 67 2HB LEU 67 -7.333 -4.028 0.182 497 HG LEU 67 HG LEU 67 -6.256 -2.387 -2.083 498 1HD1 LEU 67 1HD1 LEU 67 -4.353 -3.040 0.131 499 2HD1 LEU 67 2HD1 LEU 67 -4.330 -1.692 -1.032 500 3HD1 LEU 67 3HD1 LEU 67 -5.418 -1.634 0.376 501 1HD2 LEU 67 1HD2 LEU 67 -4.815 -4.705 -0.893 502 2HD2 LEU 67 2HD2 LEU 67 -6.434 -5.058 -1.542 503 3HD2 LEU 67 3HD2 LEU 67 -5.188 -4.346 -2.596 504 H GLN 68 H GLN 68 -10.389 -4.767 -1.148 505 HA GLN 68 HA GLN 68 -12.335 -3.071 0.221 506 1HB GLN 68 1HB GLN 68 -12.389 -5.985 -0.656 507 2HB GLN 68 2HB GLN 68 -13.775 -5.095 0.019 508 1HG GLN 68 1HG GLN 68 -12.225 -4.217 -2.449 509 2HG GLN 68 2HG GLN 68 -13.718 -5.179 -2.507 510 1HE2 GLN 68 1HE2 GLN 68 -12.301 -2.042 -1.598 511 2HE2 GLN 68 2HE2 GLN 68 -13.807 -1.151 -1.576 512 H LYS 69 H LYS 69 -13.630 -4.506 2.016 513 HA LYS 69 HA LYS 69 -12.052 -4.423 4.328 514 1HB LYS 69 1HB LYS 69 -14.451 -6.241 3.940 515 2HB LYS 69 2HB LYS 69 -13.913 -5.427 5.429 516 1HG LYS 69 1HG LYS 69 -14.233 -3.389 3.474 517 2HG LYS 69 2HG LYS 69 -15.664 -4.438 3.341 518 1HD LYS 69 1HD LYS 69 -15.632 -4.305 5.984 519 2HD LYS 69 2HD LYS 69 -14.684 -2.827 5.696 520 1HE LYS 69 1HE LYS 69 -16.577 -1.711 5.231 521 2HE LYS 69 2HE LYS 69 -16.880 -2.809 3.867 522 1HZ LYS 69 1HZ LYS 69 -17.519 -4.003 6.332 523 2HZ LYS 69 2HZ LYS 69 -18.347 -2.591 6.132 524 3HZ LYS 69 3HZ LYS 69 -18.461 -3.782 4.997 525 H TRP 70 H TRP 70 -10.545 -5.735 5.186 526 HA TRP 70 HA TRP 70 -9.174 -7.546 5.464 527 1HB TRP 70 1HB TRP 70 -11.549 -9.163 4.503 528 2HB TRP 70 2HB TRP 70 -10.198 -9.730 5.494 529 HD1 TRP 70 HD TRP 70 -13.647 -8.617 5.775 530 HE1 TRP 70 1HE TRP 70 -14.297 -8.043 8.169 531 HE3 TRP 70 3HE TRP 70 -8.974 -8.401 7.851 532 HZ2 TRP 70 2HZ TRP 70 -12.960 -7.547 10.688 533 HZ3 TRP 70 3HZ TRP 70 -8.702 -7.875 10.246 534 HH2 TRP 70 HH TRP 70 -10.680 -7.446 11.675 535 H GLY 71 H GLY 71 -9.322 -6.142 2.853 536 1HA GLY 71 1HA GLY 71 -8.953 -8.225 0.836 537 2HA GLY 71 2HA GLY 71 -8.774 -6.469 0.616 538 H SER 72 H SER 72 -6.971 -8.598 -0.311 539 HA SER 72 HA SER 72 -4.518 -7.624 1.042 540 1HB SER 72 1HB SER 72 -4.501 -10.465 0.177 541 2HB SER 72 2HB SER 72 -3.775 -9.700 1.611 542 HG SER 72 HG SER 72 -6.569 -9.909 1.366 543 H TRP 73 H TRP 73 -2.572 -7.909 -0.309 544 HA TRP 73 HA TRP 73 -3.197 -8.272 -3.190 545 1HB TRP 73 1HB TRP 73 -3.182 -5.831 -2.433 546 2HB TRP 73 2HB TRP 73 -1.455 -6.045 -2.114 547 HD1 TRP 73 HD TRP 73 -3.188 -7.546 -5.177 548 HE1 TRP 73 1HE TRP 73 -2.256 -6.493 -7.301 549 HE3 TRP 73 3HE TRP 73 -0.244 -3.933 -3.062 550 HZ2 TRP 73 2HZ TRP 73 -0.450 -4.345 -8.007 551 HZ3 TRP 73 3HZ TRP 73 1.065 -2.405 -4.490 552 HH2 TRP 73 HH TRP 73 0.974 -2.597 -6.958 553 H ASN 74 H ASN 74 -1.330 -8.820 -4.491 554 HA ASN 74 HA ASN 74 1.283 -9.140 -3.551 555 1HB ASN 74 1HB ASN 74 0.558 -10.669 -1.877 556 2HB ASN 74 2HB ASN 74 -0.532 -11.505 -3.003 557 1HD2 ASN 74 1HD2 ASN 74 0.542 -13.511 -2.395 558 2HD2 ASN 74 2HD2 ASN 74 2.087 -13.924 -3.107 559 HA PRO 75 HA PRO 75 0.372 -9.991 -8.000 560 1HB PRO 75 1HB PRO 75 2.021 -8.082 -9.030 561 2HB PRO 75 2HB PRO 75 0.401 -7.678 -8.374 562 1HG PRO 75 1HG PRO 75 3.062 -7.508 -6.932 563 2HG PRO 75 2HG PRO 75 1.821 -6.222 -7.080 564 1HD PRO 75 1HD PRO 75 1.939 -7.839 -4.888 565 2HD PRO 75 2HD PRO 75 0.359 -7.370 -5.586 566 H GLY 76 H GLY 76 3.655 -8.766 -7.126 567 1HA GLY 76 1HA GLY 76 5.032 -11.130 -6.816 568 2HA GLY 76 2HA GLY 76 4.924 -10.926 -8.579 569 H HIS 77 H HIS 77 5.726 -9.050 -5.602 570 HA HIS 77 HA HIS 77 7.394 -7.541 -5.185 571 1HB HIS 77 1HB HIS 77 8.845 -9.382 -5.960 572 2HB HIS 77 2HB HIS 77 8.670 -8.814 -7.632 573 HD1 HIS 77 1HD HIS 77 9.284 -5.813 -7.464 574 HD2 HIS 77 2HD HIS 77 11.233 -8.768 -5.168 575 HE1 HIS 77 1HE HIS 77 11.539 -4.813 -6.742 576 HE2 HIS 77 2HE HIS 77 12.714 -6.617 -5.349 577 H ILE 78 H ILE 78 6.584 -5.531 -5.478 578 HA ILE 78 HA ILE 78 6.282 -4.537 -8.259 579 HB ILE 78 HB ILE 78 5.281 -3.399 -5.619 580 1HG1 ILE 78 1HG1 ILE 78 4.405 -5.691 -6.838 581 2HG1 ILE 78 2HG1 ILE 78 3.362 -4.608 -5.886 582 1HG2 ILE 78 1HG2 ILE 78 3.763 -2.146 -7.290 583 2HG2 ILE 78 2HG2 ILE 78 5.459 -1.616 -7.189 584 3HG2 ILE 78 3HG2 ILE 78 4.927 -2.646 -8.539 585 1HD1 ILE 78 1HD1 ILE 78 3.823 -4.024 -8.809 586 2HD1 ILE 78 2HD1 ILE 78 2.665 -5.293 -8.345 587 3HD1 ILE 78 3HD1 ILE 78 2.425 -3.621 -7.784 588 H HIS 79 H HIS 79 7.219 -2.550 -8.898 589 HA HIS 79 HA HIS 79 9.847 -2.086 -8.181 590 1HB HIS 79 1HB HIS 79 9.109 -1.060 -10.143 591 2HB HIS 79 2HB HIS 79 7.679 -0.362 -9.360 592 HD1 HIS 79 1HD HIS 79 11.416 0.066 -8.370 593 HD2 HIS 79 2HD HIS 79 7.985 2.213 -9.561 594 HE1 HIS 79 1HE HIS 79 12.027 2.559 -8.238 595 HE2 HIS 79 2HE HIS 79 9.935 3.853 -8.963 596 H GLU 80 H GLU 80 7.399 0.405 -7.367 597 HA GLU 80 HA GLU 80 8.042 0.300 -4.534 598 1HB GLU 80 1HB GLU 80 10.026 1.477 -5.526 599 2HB GLU 80 2HB GLU 80 8.920 2.728 -6.143 600 1HG GLU 80 1HG GLU 80 8.322 2.255 -3.368 601 2HG GLU 80 2HG GLU 80 10.072 2.515 -3.533 602 H ILE 81 H ILE 81 6.656 1.656 -3.282 603 HA ILE 81 HA ILE 81 4.134 2.223 -4.634 604 HB ILE 81 HB ILE 81 5.043 2.548 -1.748 605 1HG1 ILE 81 1HG1 ILE 81 4.976 0.208 -2.709 606 2HG1 ILE 81 2HG1 ILE 81 3.840 0.478 -1.365 607 1HG2 ILE 81 1HG2 ILE 81 2.774 3.608 -3.124 608 2HG2 ILE 81 2HG2 ILE 81 2.198 2.259 -2.116 609 3HG2 ILE 81 3HG2 ILE 81 3.091 3.608 -1.372 610 1HD1 ILE 81 1HD1 ILE 81 2.390 1.242 -3.632 611 2HD1 ILE 81 2HD1 ILE 81 3.293 -0.194 -4.168 612 3HD1 ILE 81 3HD1 ILE 81 2.224 -0.294 -2.749 613 H LEU 82 H LEU 82 3.255 4.213 -5.071 614 HA LEU 82 HA LEU 82 5.131 6.475 -5.004 615 1HB LEU 82 1HB LEU 82 2.309 6.316 -6.126 616 2HB LEU 82 2HB LEU 82 3.545 7.546 -6.483 617 HG LEU 82 HG LEU 82 3.313 4.725 -7.453 618 1HD1 LEU 82 1HD1 LEU 82 4.341 7.383 -8.517 619 2HD1 LEU 82 2HD1 LEU 82 4.487 5.857 -9.420 620 3HD1 LEU 82 3HD1 LEU 82 2.878 6.500 -9.014 621 1HD2 LEU 82 1HD2 LEU 82 5.864 4.879 -7.936 622 2HD2 LEU 82 2HD2 LEU 82 5.897 6.073 -6.616 623 3HD2 LEU 82 3HD2 LEU 82 5.355 4.408 -6.297 624 H SER 83 H SER 83 1.638 6.035 -4.186 625 HA SER 83 HA SER 83 2.098 7.522 -1.679 626 1HB SER 83 1HB SER 83 1.468 9.094 -3.653 627 2HB SER 83 2HB SER 83 -0.146 8.353 -3.529 628 HG SER 83 HG SER 83 0.613 10.328 -2.152 629 H ILE 84 H ILE 84 -0.034 7.562 -0.382 630 HA ILE 84 HA ILE 84 -1.626 5.115 -0.953 631 HB ILE 84 HB ILE 84 -0.122 5.883 1.552 632 1HG1 ILE 84 1HG1 ILE 84 -0.615 3.211 0.175 633 2HG1 ILE 84 2HG1 ILE 84 0.788 4.255 -0.154 634 1HG2 ILE 84 1HG2 ILE 84 -2.513 5.623 2.179 635 2HG2 ILE 84 2HG2 ILE 84 -2.543 4.038 1.370 636 3HG2 ILE 84 3HG2 ILE 84 -1.521 4.285 2.806 637 1HD1 ILE 84 1HD1 ILE 84 1.564 2.727 1.490 638 2HD1 ILE 84 2HD1 ILE 84 1.185 4.206 2.406 639 3HD1 ILE 84 3HD1 ILE 84 0.052 2.833 2.423 640 H ARG 85 H ARG 85 -3.782 5.417 -0.774 641 HA ARG 85 HA ARG 85 -4.692 7.906 0.594 642 1HB ARG 85 1HB ARG 85 -4.904 8.187 -1.810 643 2HB ARG 85 2HB ARG 85 -5.709 6.607 -1.962 644 1HG ARG 85 1HG ARG 85 -7.501 7.489 -0.385 645 2HG ARG 85 2HG ARG 85 -6.750 9.095 -0.551 646 1HD ARG 85 1HD ARG 85 -6.940 8.618 -3.128 647 2HD ARG 85 2HD ARG 85 -8.153 7.418 -2.635 648 HE ARG 85 HE ARG 85 -8.412 10.325 -2.571 649 1HH1 ARG 85 1HH1 ARG 85 -11.640 10.070 -1.172 650 2HH1 ARG 85 2HH1 ARG 85 -10.481 11.135 -1.936 651 1HH2 ARG 85 1HH2 ARG 85 -11.100 7.845 -0.796 652 2HH2 ARG 85 2HH2 ARG 85 -9.534 7.231 -1.276 653 H ILE 86 H ILE 86 -6.198 7.631 2.147 654 HA ILE 86 HA ILE 86 -7.447 4.931 2.348 655 HB ILE 86 HB ILE 86 -6.840 6.942 4.551 656 1HG1 ILE 86 1HG1 ILE 86 -5.487 4.280 3.963 657 2HG1 ILE 86 2HG1 ILE 86 -4.835 5.845 3.423 658 1HG2 ILE 86 1HG2 ILE 86 -8.813 5.226 4.706 659 2HG2 ILE 86 2HG2 ILE 86 -7.522 4.011 4.864 660 3HG2 ILE 86 3HG2 ILE 86 -7.656 5.326 6.056 661 1HD1 ILE 86 1HD1 ILE 86 -5.584 5.396 6.323 662 2HD1 ILE 86 2HD1 ILE 86 -4.002 4.873 5.698 663 3HD1 ILE 86 3HD1 ILE 86 -4.461 6.591 5.630 664 H TYR 87 H TYR 87 -9.649 4.788 2.518 665 HA TYR 87 HA TYR 87 -11.150 7.226 1.912 666 1HB TYR 87 1HB TYR 87 -11.807 4.282 2.122 667 2HB TYR 87 2HB TYR 87 -13.071 5.509 1.937 668 HD1 TYR 87 1HD TYR 87 -13.890 5.617 -0.217 669 HD2 TYR 87 2HD TYR 87 -9.693 4.920 0.380 670 HE1 TYR 87 1HE TYR 87 -13.542 5.605 -2.673 671 HE2 TYR 87 2HE TYR 87 -9.346 4.909 -2.076 672 HH TYR 87 HH TYR 87 -10.309 5.348 -4.132 Start of MODEL 22 1 H MET 1 H MET 1 -3.898 12.802 10.400 2 HA MET 1 HA MET 1 -2.996 12.966 8.078 3 1HB MET 1 1HB MET 1 -0.842 14.192 9.696 4 2HB MET 1 2HB MET 1 -0.275 13.081 8.425 5 1HG MET 1 1HG MET 1 -2.182 14.424 7.051 6 2HG MET 1 2HG MET 1 -1.709 15.686 8.200 7 1HE MET 1 1HE MET 1 0.788 16.822 8.259 8 2HE MET 1 2HE MET 1 1.167 15.168 8.796 9 3HE MET 1 3HE MET 1 2.159 15.944 7.538 10 H ILE 2 H ILE 2 -1.792 11.190 7.077 11 HA ILE 2 HA ILE 2 -2.089 8.757 8.555 12 HB ILE 2 HB ILE 2 -2.363 8.846 6.130 13 1HG1 ILE 2 1HG1 ILE 2 0.117 7.266 6.939 14 2HG1 ILE 2 2HG1 ILE 2 -1.568 6.732 7.153 15 1HG2 ILE 2 1HG2 ILE 2 -0.169 9.080 4.772 16 2HG2 ILE 2 2HG2 ILE 2 -0.881 10.568 5.439 17 3HG2 ILE 2 3HG2 ILE 2 0.512 9.809 6.246 18 1HD1 ILE 2 1HD1 ILE 2 0.118 6.698 4.747 19 2HD1 ILE 2 2HD1 ILE 2 -1.391 5.819 5.088 20 3HD1 ILE 2 3HD1 ILE 2 -1.454 7.485 4.466 21 H ASN 3 H ASN 3 -0.575 7.423 9.522 22 HA ASN 3 HA ASN 3 2.241 8.342 9.532 23 1HB ASN 3 1HB ASN 3 2.263 7.955 12.029 24 2HB ASN 3 2HB ASN 3 1.344 9.381 11.501 25 1HD2 ASN 3 1HD2 ASN 3 -0.946 9.382 11.620 26 2HD2 ASN 3 2HD2 ASN 3 -1.818 8.192 12.563 27 H ARG 4 H ARG 4 3.726 6.688 9.677 28 HA ARG 4 HA ARG 4 2.731 4.029 9.110 29 1HB ARG 4 1HB ARG 4 5.248 3.513 9.255 30 2HB ARG 4 2HB ARG 4 4.732 4.669 8.004 31 1HG ARG 4 1HG ARG 4 5.551 6.520 9.193 32 2HG ARG 4 2HG ARG 4 5.524 5.656 10.749 33 1HD ARG 4 1HD ARG 4 7.356 4.182 9.937 34 2HD ARG 4 2HD ARG 4 7.403 5.100 8.417 35 HE ARG 4 HE ARG 4 8.474 5.912 11.009 36 1HH1 ARG 4 1HH1 ARG 4 9.520 9.005 9.675 37 2HH1 ARG 4 2HH1 ARG 4 9.641 7.907 11.031 38 1HH2 ARG 4 1HH2 ARG 4 8.189 8.460 7.855 39 2HH2 ARG 4 2HH2 ARG 4 7.306 6.949 7.838 40 H THR 5 H THR 5 1.833 2.839 10.701 41 HA THR 5 HA THR 5 3.024 3.020 13.415 42 HB THR 5 HB THR 5 0.653 3.426 13.388 43 HG1 THR 5 1HG THR 5 0.638 2.178 15.058 44 1HG2 THR 5 1HG2 THR 5 0.640 1.008 11.570 45 2HG2 THR 5 2HG2 THR 5 -0.819 1.454 12.486 46 3HG2 THR 5 3HG2 THR 5 -0.114 2.601 11.322 47 H ASP 6 H ASP 6 3.554 1.100 14.576 48 HA ASP 6 HA ASP 6 4.537 -1.030 12.808 49 1HB ASP 6 1HB ASP 6 5.732 0.151 14.846 50 2HB ASP 6 2HB ASP 6 4.808 -1.026 15.804 51 H CYS 7 H CYS 7 1.646 -0.725 13.106 52 HA CYS 7 HA CYS 7 -0.192 -2.049 13.426 53 1HB CYS 7 1HB CYS 7 1.505 -4.421 14.093 54 2HB CYS 7 2HB CYS 7 0.067 -4.307 13.065 55 H ASN 8 H ASN 8 -1.288 -1.493 15.223 56 HA ASN 8 HA ASN 8 -0.110 -2.146 17.859 57 1HB ASN 8 1HB ASN 8 -2.252 -0.773 18.543 58 2HB ASN 8 2HB ASN 8 -0.820 0.061 17.902 59 1HD2 ASN 8 1HD2 ASN 8 -0.791 0.623 15.587 60 2HD2 ASN 8 2HD2 ASN 8 -2.306 0.948 14.771 61 H GLU 9 H GLU 9 -3.360 -2.297 16.282 62 HA GLU 9 HA GLU 9 -3.979 -4.618 18.019 63 1HB GLU 9 1HB GLU 9 -5.611 -2.831 18.080 64 2HB GLU 9 2HB GLU 9 -5.701 -2.790 16.303 65 1HG GLU 9 1HG GLU 9 -7.272 -4.397 16.330 66 2HG GLU 9 2HG GLU 9 -6.153 -5.491 17.172 67 H ASN 10 H ASN 10 -5.503 -4.006 14.895 68 HA ASN 10 HA ASN 10 -4.142 -5.412 13.051 69 1HB ASN 10 1HB ASN 10 -4.957 -7.221 15.238 70 2HB ASN 10 2HB ASN 10 -5.412 -7.786 13.616 71 1HD2 ASN 10 1HD2 ASN 10 -3.860 -9.538 13.914 72 2HD2 ASN 10 2HD2 ASN 10 -2.154 -9.241 13.658 73 H SER 11 H SER 11 -5.637 -3.829 12.110 74 HA SER 11 HA SER 11 -7.798 -5.054 10.780 75 1HB SER 11 1HB SER 11 -9.722 -3.996 11.871 76 2HB SER 11 2HB SER 11 -8.856 -5.037 13.027 77 HG SER 11 HG SER 11 -8.259 -3.336 14.124 78 H TYR 12 H TYR 12 -5.715 -3.587 9.871 79 HA TYR 12 HA TYR 12 -7.093 -1.209 8.810 80 1HB TYR 12 1HB TYR 12 -4.566 -0.219 9.229 81 2HB TYR 12 2HB TYR 12 -5.987 0.140 10.225 82 HD1 TYR 12 1HD TYR 12 -6.261 -0.836 12.430 83 HD2 TYR 12 2HD TYR 12 -2.859 -1.804 9.992 84 HE1 TYR 12 1HE TYR 12 -5.130 -1.826 14.402 85 HE2 TYR 12 2HE TYR 12 -1.728 -2.795 11.965 86 HH TYR 12 HH TYR 12 -2.649 -3.874 14.339 87 H LEU 13 H LEU 13 -4.972 -0.115 7.400 88 HA LEU 13 HA LEU 13 -4.576 -2.197 5.369 89 1HB LEU 13 1HB LEU 13 -5.196 -0.223 4.334 90 2HB LEU 13 2HB LEU 13 -4.349 0.793 5.525 91 HG LEU 13 HG LEU 13 -2.201 -0.430 4.525 92 1HD1 LEU 13 1HD1 LEU 13 -2.722 -1.784 2.790 93 2HD1 LEU 13 2HD1 LEU 13 -4.391 -1.169 2.724 94 3HD1 LEU 13 3HD1 LEU 13 -3.090 -0.305 1.870 95 1HD2 LEU 13 1HD2 LEU 13 -1.881 1.741 4.007 96 2HD2 LEU 13 2HD2 LEU 13 -2.812 1.480 2.512 97 3HD2 LEU 13 3HD2 LEU 13 -3.637 2.031 3.990 98 H GLU 14 H GLU 14 -2.660 -3.165 4.870 99 HA GLU 14 HA GLU 14 -0.189 -2.100 6.096 100 1HB GLU 14 1HB GLU 14 -0.888 -5.037 6.328 101 2HB GLU 14 2HB GLU 14 0.370 -4.118 7.188 102 1HG GLU 14 1HG GLU 14 -1.302 -2.893 8.449 103 2HG GLU 14 2HG GLU 14 -2.615 -3.608 7.488 104 H ILE 15 H ILE 15 1.657 -2.535 4.906 105 HA ILE 15 HA ILE 15 1.286 -4.195 2.463 106 HB ILE 15 HB ILE 15 2.730 -1.521 2.596 107 1HG1 ILE 15 1HG1 ILE 15 0.227 -1.951 1.003 108 2HG1 ILE 15 2HG1 ILE 15 0.054 -1.744 2.763 109 1HG2 ILE 15 1HG2 ILE 15 2.232 -1.995 -0.016 110 2HG2 ILE 15 2HG2 ILE 15 3.710 -2.568 0.794 111 3HG2 ILE 15 3HG2 ILE 15 2.338 -3.677 0.557 112 1HD1 ILE 15 1HD1 ILE 15 0.445 0.471 2.594 113 2HD1 ILE 15 2HD1 ILE 15 1.959 0.179 1.705 114 3HD1 ILE 15 3HD1 ILE 15 0.417 0.290 0.824 115 H HIS 16 H HIS 16 2.766 -5.772 2.371 116 HA HIS 16 HA HIS 16 5.359 -5.311 3.771 117 1HB HIS 16 1HB HIS 16 5.383 -7.689 4.288 118 2HB HIS 16 2HB HIS 16 3.902 -6.946 4.920 119 HD1 HIS 16 1HD HIS 16 5.070 -9.561 2.430 120 HD2 HIS 16 2HD HIS 16 1.561 -7.545 3.625 121 HE1 HIS 16 1HE HIS 16 3.096 -10.856 1.413 122 HE2 HIS 16 2HE HIS 16 0.971 -9.622 2.146 123 H ASN 17 H ASN 17 6.726 -4.790 2.125 124 HA ASN 17 HA ASN 17 6.587 -6.416 -0.353 125 1HB ASN 17 1HB ASN 17 8.154 -4.628 -1.208 126 2HB ASN 17 2HB ASN 17 6.536 -4.051 -0.757 127 1HD2 ASN 17 1HD2 ASN 17 8.573 -2.211 -0.931 128 2HD2 ASN 17 2HD2 ASN 17 9.036 -1.667 0.667 129 H ASN 18 H ASN 18 9.134 -6.281 -1.286 130 HA ASN 18 HA ASN 18 11.183 -7.289 -1.136 131 1HB ASN 18 1HB ASN 18 10.759 -6.325 1.692 132 2HB ASN 18 2HB ASN 18 12.182 -7.306 1.280 133 1HD2 ASN 18 1HD2 ASN 18 11.362 -4.233 1.827 134 2HD2 ASN 18 2HD2 ASN 18 12.374 -3.394 0.671 135 H GLU 19 H GLU 19 8.827 -8.909 -1.127 136 HA GLU 19 HA GLU 19 8.256 -11.107 -0.845 137 1HB GLU 19 1HB GLU 19 11.180 -11.186 -0.061 138 2HB GLU 19 2HB GLU 19 10.161 -12.644 -0.015 139 1HG GLU 19 1HG GLU 19 9.570 -12.313 -2.389 140 2HG GLU 19 2HG GLU 19 10.569 -10.844 -2.439 141 H GLY 20 H GLY 20 8.537 -8.942 1.505 142 1HA GLY 20 1HA GLY 20 7.165 -9.149 3.474 143 2HA GLY 20 2HA GLY 20 7.612 -10.868 3.577 144 H ARG 21 H ARG 21 9.816 -8.135 2.920 145 HA ARG 21 HA ARG 21 11.414 -8.957 5.261 146 1HB ARG 21 1HB ARG 21 12.347 -8.571 2.892 147 2HB ARG 21 2HB ARG 21 12.098 -6.837 3.205 148 1HG ARG 21 1HG ARG 21 13.496 -8.437 5.320 149 2HG ARG 21 2HG ARG 21 14.400 -8.080 3.829 150 1HD ARG 21 1HD ARG 21 13.989 -5.692 4.098 151 2HD ARG 21 2HD ARG 21 12.945 -5.995 5.504 152 HE ARG 21 HE ARG 21 14.829 -6.295 6.833 153 1HH1 ARG 21 1HH1 ARG 21 18.221 -6.134 5.878 154 2HH1 ARG 21 2HH1 ARG 21 17.104 -6.188 7.224 155 1HH2 ARG 21 1HH2 ARG 21 17.418 -6.169 3.701 156 2HH2 ARG 21 2HH2 ARG 21 15.695 -6.250 3.406 157 H ASP 22 H ASP 22 9.585 -6.190 3.944 158 HA ASP 22 HA ASP 22 9.732 -4.957 6.647 159 1HB ASP 22 1HB ASP 22 10.280 -3.717 3.946 160 2HB ASP 22 2HB ASP 22 9.683 -2.732 5.300 161 H THR 23 H THR 23 7.828 -4.014 7.360 162 HA THR 23 HA THR 23 5.540 -4.078 5.458 163 HB THR 23 HB THR 23 5.489 -5.026 8.349 164 HG1 THR 23 1HG THR 23 5.135 -7.063 7.293 165 1HG2 THR 23 1HG2 THR 23 3.311 -4.360 7.960 166 2HG2 THR 23 2HG2 THR 23 3.455 -4.550 6.197 167 3HG2 THR 23 3HG2 THR 23 3.239 -5.982 7.232 168 H LEU 24 H LEU 24 3.892 -2.536 5.881 169 HA LEU 24 HA LEU 24 4.551 -0.514 7.956 170 1HB LEU 24 1HB LEU 24 3.598 0.274 5.197 171 2HB LEU 24 2HB LEU 24 4.390 1.274 6.438 172 HG LEU 24 HG LEU 24 6.138 -0.915 5.848 173 1HD1 LEU 24 1HD1 LEU 24 5.462 -1.371 3.702 174 2HD1 LEU 24 2HD1 LEU 24 4.663 0.207 3.508 175 3HD1 LEU 24 3HD1 LEU 24 6.430 0.077 3.338 176 1HD2 LEU 24 1HD2 LEU 24 7.589 0.979 5.026 177 2HD2 LEU 24 2HD2 LEU 24 6.187 2.062 5.199 178 3HD2 LEU 24 3HD2 LEU 24 6.878 1.264 6.633 179 H CYS 25 H CYS 25 2.850 -0.332 9.277 180 HA CYS 25 HA CYS 25 0.179 -1.088 8.248 181 1HB CYS 25 1HB CYS 25 1.310 -0.660 11.029 182 2HB CYS 25 2HB CYS 25 -0.402 -0.974 10.705 183 H PHE 26 H PHE 26 -1.108 0.492 7.516 184 HA PHE 26 HA PHE 26 -0.706 3.227 8.623 185 1HB PHE 26 1HB PHE 26 -1.842 2.232 5.992 186 2HB PHE 26 2HB PHE 26 -1.911 3.921 6.521 187 HD1 PHE 26 1HD PHE 26 -0.132 1.656 4.552 188 HD2 PHE 26 2HD PHE 26 0.493 4.853 7.352 189 HE1 PHE 26 1HE PHE 26 2.129 2.041 3.608 190 HE2 PHE 26 2HE PHE 26 2.754 5.238 6.408 191 HZ PHE 26 HZ PHE 26 3.571 3.833 4.536 192 H ALA 27 H ALA 27 -2.498 4.428 9.320 193 HA ALA 27 HA ALA 27 -5.090 2.989 9.420 194 1HB ALA 27 1HB ALA 27 -5.335 3.534 11.792 195 2HB ALA 27 2HB ALA 27 -3.865 2.561 11.545 196 3HB ALA 27 3HB ALA 27 -3.737 4.318 11.801 197 H ASN 28 H ASN 28 -6.789 4.610 10.427 198 HA ASN 28 HA ASN 28 -7.906 6.602 10.239 199 1HB ASN 28 1HB ASN 28 -5.046 7.559 10.025 200 2HB ASN 28 2HB ASN 28 -6.410 8.683 9.840 201 1HD2 ASN 28 1HD2 ASN 28 -5.072 6.164 12.036 202 2HD2 ASN 28 2HD2 ASN 28 -5.658 6.894 13.515 203 H ALA 29 H ALA 29 -8.961 7.737 8.608 204 HA ALA 29 HA ALA 29 -8.662 6.725 5.965 205 1HB ALA 29 1HB ALA 29 -10.257 8.642 5.424 206 2HB ALA 29 2HB ALA 29 -10.808 7.504 6.677 207 3HB ALA 29 3HB ALA 29 -10.154 9.092 7.143 208 H GLY 30 H GLY 30 -6.724 8.875 7.670 209 1HA GLY 30 1HA GLY 30 -6.133 11.013 6.057 210 2HA GLY 30 2HA GLY 30 -4.897 10.088 6.940 211 H THR 31 H THR 31 -4.535 11.400 4.377 212 HA THR 31 HA THR 31 -3.793 9.003 2.798 213 HB THR 31 HB THR 31 -5.339 11.425 1.809 214 HG1 THR 31 1HG THR 31 -6.805 9.966 2.238 215 1HG2 THR 31 1HG2 THR 31 -5.007 10.517 -0.451 216 2HG2 THR 31 2HG2 THR 31 -3.432 10.878 0.296 217 3HG2 THR 31 3HG2 THR 31 -4.010 9.197 0.207 218 H MET 32 H MET 32 -1.656 9.075 2.479 219 HA MET 32 HA MET 32 -0.419 11.686 1.839 220 1HB MET 32 1HB MET 32 1.258 11.498 3.495 221 2HB MET 32 2HB MET 32 -0.250 11.096 4.351 222 1HG MET 32 1HG MET 32 0.192 8.698 4.014 223 2HG MET 32 2HG MET 32 1.684 9.086 3.141 224 1HE MET 32 1HE MET 32 3.360 7.476 5.185 225 2HE MET 32 2HE MET 32 2.296 7.278 6.599 226 3HE MET 32 3HE MET 32 1.644 7.062 4.957 227 HA PRO 33 HA PRO 33 1.785 9.311 -1.118 228 1HB PRO 33 1HB PRO 33 4.104 10.717 -1.386 229 2HB PRO 33 2HB PRO 33 2.517 11.415 -1.845 230 1HG PRO 33 1HG PRO 33 3.993 11.775 0.778 231 2HG PRO 33 2HG PRO 33 3.332 13.061 -0.284 232 1HD PRO 33 1HD PRO 33 1.927 12.123 1.856 233 2HD PRO 33 2HD PRO 33 1.094 12.498 0.317 234 H VAL 34 H VAL 34 3.074 7.510 -1.129 235 HA VAL 34 HA VAL 34 5.125 7.237 0.990 236 HB VAL 34 HB VAL 34 4.271 5.196 1.797 237 1HG1 VAL 34 1HG1 VAL 34 1.705 6.688 1.158 238 2HG1 VAL 34 2HG1 VAL 34 2.108 5.754 2.618 239 3HG1 VAL 34 3HG1 VAL 34 2.896 7.322 2.319 240 1HG2 VAL 34 1HG2 VAL 34 2.258 5.190 -0.489 241 2HG2 VAL 34 2HG2 VAL 34 3.800 4.301 -0.523 242 3HG2 VAL 34 3HG2 VAL 34 2.560 3.886 0.685 243 H ALA 35 H ALA 35 6.606 5.396 0.544 244 HA ALA 35 HA ALA 35 6.684 4.734 -2.360 245 1HB ALA 35 1HB ALA 35 9.135 4.989 -2.262 246 2HB ALA 35 2HB ALA 35 8.316 6.513 -1.841 247 3HB ALA 35 3HB ALA 35 9.018 5.496 -0.559 248 H ILE 36 H ILE 36 6.318 2.600 -2.508 249 HA ILE 36 HA ILE 36 7.788 0.830 -0.621 250 HB ILE 36 HB ILE 36 4.872 0.741 -1.447 251 1HG1 ILE 36 1HG1 ILE 36 5.630 0.094 1.306 252 2HG1 ILE 36 2HG1 ILE 36 6.231 1.695 0.813 253 1HG2 ILE 36 1HG2 ILE 36 6.126 -1.482 -1.764 254 2HG2 ILE 36 2HG2 ILE 36 6.382 -1.465 -0.003 255 3HG2 ILE 36 3HG2 ILE 36 4.729 -1.511 -0.661 256 1HD1 ILE 36 1HD1 ILE 36 4.013 2.029 1.688 257 2HD1 ILE 36 2HD1 ILE 36 3.889 2.167 -0.082 258 3HD1 ILE 36 3HD1 ILE 36 3.366 0.674 0.733 259 H TYR 37 H TYR 37 9.276 -0.169 -1.853 260 HA TYR 37 HA TYR 37 8.525 -0.892 -4.635 261 1HB TYR 37 1HB TYR 37 11.270 -0.952 -3.359 262 2HB TYR 37 2HB TYR 37 10.868 -0.987 -5.084 263 HD1 TYR 37 1HD TYR 37 10.832 1.160 -2.037 264 HD2 TYR 37 2HD TYR 37 10.592 1.013 -6.324 265 HE1 TYR 37 1HE TYR 37 11.029 3.631 -2.133 266 HE2 TYR 37 2HE TYR 37 10.789 3.483 -6.420 267 HH TYR 37 HH TYR 37 10.334 5.487 -4.853 268 H GLY 38 H GLY 38 8.652 -3.014 -5.364 269 1HA GLY 38 1HA GLY 38 8.843 -5.312 -5.236 270 2HA GLY 38 2HA GLY 38 9.737 -5.128 -3.710 271 H VAL 39 H VAL 39 6.401 -4.426 -4.915 272 HA VAL 39 HA VAL 39 5.281 -5.114 -2.311 273 HB VAL 39 HB VAL 39 4.008 -4.388 -4.979 274 1HG1 VAL 39 1HG1 VAL 39 1.961 -4.043 -3.642 275 2HG1 VAL 39 2HG1 VAL 39 2.510 -5.732 -3.525 276 3HG1 VAL 39 3HG1 VAL 39 2.811 -4.603 -2.182 277 1HG2 VAL 39 1HG2 VAL 39 4.595 -2.815 -2.435 278 2HG2 VAL 39 2HG2 VAL 39 5.321 -2.559 -4.041 279 3HG2 VAL 39 3HG2 VAL 39 3.593 -2.218 -3.780 280 H ASN 40 H ASN 40 4.990 -7.172 -1.703 281 HA ASN 40 HA ASN 40 4.570 -9.210 -3.821 282 1HB ASN 40 1HB ASN 40 5.598 -9.253 -0.984 283 2HB ASN 40 2HB ASN 40 4.968 -10.736 -1.734 284 1HD2 ASN 40 1HD2 ASN 40 6.909 -7.960 -2.990 285 2HD2 ASN 40 2HD2 ASN 40 8.220 -8.939 -3.611 286 H TRP 41 H TRP 41 3.186 -7.816 -0.840 287 HA TRP 41 HA TRP 41 0.534 -8.652 -1.659 288 1HB TRP 41 1HB TRP 41 1.293 -10.747 -0.704 289 2HB TRP 41 2HB TRP 41 1.869 -9.920 0.750 290 HD1 TRP 41 HD TRP 41 -0.374 -8.393 1.891 291 HE1 TRP 41 1HE TRP 41 -2.616 -9.377 2.592 292 HE3 TRP 41 3HE TRP 41 -0.327 -12.631 -0.979 293 HZ2 TRP 41 2HZ TRP 41 -4.206 -11.719 1.986 294 HZ3 TRP 41 3HZ TRP 41 -2.220 -14.211 -0.890 295 HH2 TRP 41 HH TRP 41 -4.162 -13.772 0.583 296 H VAL 42 H VAL 42 -1.112 -7.614 -0.427 297 HA VAL 42 HA VAL 42 -0.151 -5.714 1.640 298 HB VAL 42 HB VAL 42 -1.709 -5.071 -0.884 299 1HG1 VAL 42 1HG1 VAL 42 -1.915 -2.765 0.191 300 2HG1 VAL 42 2HG1 VAL 42 -2.953 -4.029 0.892 301 3HG1 VAL 42 3HG1 VAL 42 -1.463 -3.535 1.731 302 1HG2 VAL 42 1HG2 VAL 42 0.261 -3.139 -0.159 303 2HG2 VAL 42 2HG2 VAL 42 1.009 -4.743 0.039 304 3HG2 VAL 42 3HG2 VAL 42 0.300 -4.279 -1.526 305 H GLU 43 H GLU 43 -1.472 -5.631 3.381 306 HA GLU 43 HA GLU 43 -3.897 -7.291 3.306 307 1HB GLU 43 1HB GLU 43 -2.220 -5.982 5.450 308 2HB GLU 43 2HB GLU 43 -3.859 -6.569 5.817 309 1HG GLU 43 1HG GLU 43 -1.808 -8.306 4.412 310 2HG GLU 43 2HG GLU 43 -1.906 -8.218 6.184 311 H SER 44 H SER 44 -5.944 -6.488 4.192 312 HA SER 44 HA SER 44 -6.312 -3.591 4.309 313 1HB SER 44 1HB SER 44 -7.912 -5.130 2.251 314 2HB SER 44 2HB SER 44 -7.734 -3.369 2.439 315 HG SER 44 HG SER 44 -5.905 -5.258 1.432 316 H GLY 45 H GLY 45 -6.896 -4.221 6.487 317 1HA GLY 45 1HA GLY 45 -8.721 -6.111 7.302 318 2HA GLY 45 2HA GLY 45 -8.567 -4.507 8.054 319 H ASN 46 H ASN 46 -10.985 -5.110 8.383 320 HA ASN 46 HA ASN 46 -12.763 -4.998 6.151 321 1HB ASN 46 1HB ASN 46 -13.450 -5.948 8.273 322 2HB ASN 46 2HB ASN 46 -13.143 -4.410 9.109 323 1HD2 ASN 46 1HD2 ASN 46 -14.934 -3.267 9.548 324 2HD2 ASN 46 2HD2 ASN 46 -16.391 -3.239 8.578 325 H ASN 47 H ASN 47 -11.148 -3.070 5.378 326 HA ASN 47 HA ASN 47 -12.828 -0.675 5.590 327 1HB ASN 47 1HB ASN 47 -10.617 0.660 5.984 328 2HB ASN 47 2HB ASN 47 -11.445 -0.078 7.372 329 1HD2 ASN 47 1HD2 ASN 47 -8.821 -0.595 4.978 330 2HD2 ASN 47 2HD2 ASN 47 -7.840 -1.616 6.007 331 H VAL 48 H VAL 48 -12.640 0.675 3.794 332 HA VAL 48 HA VAL 48 -11.247 -0.560 1.511 333 HB VAL 48 HB VAL 48 -13.043 1.890 1.558 334 1HG1 VAL 48 1HG1 VAL 48 -11.662 1.493 -0.477 335 2HG1 VAL 48 2HG1 VAL 48 -12.347 -0.144 -0.605 336 3HG1 VAL 48 3HG1 VAL 48 -13.399 1.279 -0.800 337 1HG2 VAL 48 1HG2 VAL 48 -14.490 -0.312 0.593 338 2HG2 VAL 48 2HG2 VAL 48 -13.653 -0.934 2.036 339 3HG2 VAL 48 3HG2 VAL 48 -14.712 0.491 2.166 340 H VAL 49 H VAL 49 -9.280 0.088 0.885 341 HA VAL 49 HA VAL 49 -8.511 2.913 1.394 342 HB VAL 49 HB VAL 49 -6.986 0.394 2.124 343 1HG1 VAL 49 1HG1 VAL 49 -5.962 2.837 0.980 344 2HG1 VAL 49 2HG1 VAL 49 -5.471 2.749 2.689 345 3HG1 VAL 49 3HG1 VAL 49 -5.058 1.423 1.575 346 1HG2 VAL 49 1HG2 VAL 49 -7.471 2.951 3.696 347 2HG2 VAL 49 2HG2 VAL 49 -8.596 1.571 3.737 348 3HG2 VAL 49 3HG2 VAL 49 -6.922 1.373 4.310 349 H THR 50 H THR 50 -7.433 3.867 -0.282 350 HA THR 50 HA THR 50 -7.112 2.207 -2.709 351 HB THR 50 HB THR 50 -7.485 5.127 -2.110 352 HG1 THR 50 1HG THR 50 -8.869 4.770 -3.974 353 1HG2 THR 50 1HG2 THR 50 -5.804 5.645 -3.555 354 2HG2 THR 50 2HG2 THR 50 -5.699 3.979 -4.173 355 3HG2 THR 50 3HG2 THR 50 -6.934 5.090 -4.813 356 H LEU 51 H LEU 51 -5.163 1.730 -3.589 357 HA LEU 51 HA LEU 51 -2.777 2.842 -2.194 358 1HB LEU 51 1HB LEU 51 -3.391 0.180 -3.487 359 2HB LEU 51 2HB LEU 51 -1.710 0.731 -3.288 360 HG LEU 51 HG LEU 51 -3.788 0.177 -1.151 361 1HD1 LEU 51 1HD1 LEU 51 -2.543 -1.704 -1.031 362 2HD1 LEU 51 2HD1 LEU 51 -1.341 -1.047 -2.167 363 3HD1 LEU 51 3HD1 LEU 51 -1.208 -0.693 -0.428 364 1HD2 LEU 51 1HD2 LEU 51 -3.009 2.248 -0.376 365 2HD2 LEU 51 2HD2 LEU 51 -1.857 1.116 0.372 366 3HD2 LEU 51 3HD2 LEU 51 -1.394 2.020 -1.090 367 H GLN 52 H GLN 52 -1.459 4.143 -3.325 368 HA GLN 52 HA GLN 52 -1.783 4.163 -6.289 369 1HB GLN 52 1HB GLN 52 -1.302 6.322 -4.239 370 2HB GLN 52 2HB GLN 52 -0.742 6.544 -5.914 371 1HG GLN 52 1HG GLN 52 -3.230 5.650 -6.426 372 2HG GLN 52 2HG GLN 52 -3.528 6.367 -4.828 373 1HE2 GLN 52 1HE2 GLN 52 -1.494 7.242 -7.688 374 2HE2 GLN 52 2HE2 GLN 52 -2.089 8.884 -7.819 375 H PHE 53 H PHE 53 -0.159 2.993 -7.158 376 HA PHE 53 HA PHE 53 2.595 3.663 -6.270 377 1HB PHE 53 1HB PHE 53 3.211 1.298 -6.405 378 2HB PHE 53 2HB PHE 53 1.959 1.563 -5.180 379 HD1 PHE 53 1HD PHE 53 -0.266 0.653 -5.435 380 HD2 PHE 53 2HD PHE 53 2.683 0.153 -8.518 381 HE1 PHE 53 1HE PHE 53 -1.685 -1.072 -6.512 382 HE2 PHE 53 2HE PHE 53 1.264 -1.572 -9.596 383 HZ PHE 53 HZ PHE 53 -0.921 -2.184 -8.593 384 H GLN 54 H GLN 54 4.222 3.258 -7.916 385 HA GLN 54 HA GLN 54 3.052 3.483 -10.634 386 1HB GLN 54 1HB GLN 54 4.836 5.098 -9.375 387 2HB GLN 54 2HB GLN 54 5.953 3.957 -10.161 388 1HG GLN 54 1HG GLN 54 5.071 4.433 -12.329 389 2HG GLN 54 2HG GLN 54 3.659 5.273 -11.651 390 1HE2 GLN 54 1HE2 GLN 54 7.058 5.500 -12.506 391 2HE2 GLN 54 2HE2 GLN 54 7.238 7.216 -12.206 392 H ARG 55 H ARG 55 2.963 1.626 -11.747 393 HA ARG 55 HA ARG 55 4.227 -0.769 -11.066 394 1HB ARG 55 1HB ARG 55 2.348 -0.130 -12.827 395 2HB ARG 55 2HB ARG 55 3.726 -0.100 -13.954 396 1HG ARG 55 1HG ARG 55 3.932 -2.357 -13.920 397 2HG ARG 55 2HG ARG 55 3.773 -2.424 -12.149 398 1HD ARG 55 1HD ARG 55 1.231 -1.658 -13.161 399 2HD ARG 55 2HD ARG 55 1.793 -3.000 -14.181 400 HE ARG 55 HE ARG 55 2.300 -3.751 -11.525 401 1HH1 ARG 55 1HH1 ARG 55 -0.856 -5.186 -10.876 402 2HH1 ARG 55 2HH1 ARG 55 0.818 -5.101 -10.376 403 1HH2 ARG 55 1HH2 ARG 55 -1.589 -3.945 -12.695 404 2HH2 ARG 55 2HH2 ARG 55 -0.467 -2.922 -13.565 405 H ASN 56 H ASN 56 5.199 1.524 -13.687 406 HA ASN 56 HA ASN 56 7.947 0.392 -13.463 407 1HB ASN 56 1HB ASN 56 6.341 1.538 -15.750 408 2HB ASN 56 2HB ASN 56 8.118 1.526 -15.805 409 1HD2 ASN 56 1HD2 ASN 56 5.191 -0.493 -15.601 410 2HD2 ASN 56 2HD2 ASN 56 5.950 -1.981 -16.124 411 H LEU 57 H LEU 57 9.711 1.796 -13.319 412 HA LEU 57 HA LEU 57 9.062 4.417 -12.184 413 1HB LEU 57 1HB LEU 57 10.748 3.042 -11.088 414 2HB LEU 57 2HB LEU 57 11.679 2.921 -12.600 415 HG LEU 57 HG LEU 57 11.993 5.381 -12.598 416 1HD1 LEU 57 1HD1 LEU 57 9.805 5.323 -10.836 417 2HD1 LEU 57 2HD1 LEU 57 11.185 5.797 -9.817 418 3HD1 LEU 57 3HD1 LEU 57 10.782 6.748 -11.266 419 1HD2 LEU 57 1HD2 LEU 57 13.786 5.258 -11.176 420 2HD2 LEU 57 2HD2 LEU 57 12.800 4.664 -9.819 421 3HD2 LEU 57 3HD2 LEU 57 13.326 3.540 -11.095 422 H SER 58 H SER 58 11.204 3.177 -14.817 423 HA SER 58 HA SER 58 11.929 5.620 -15.923 424 1HB SER 58 1HB SER 58 12.561 3.138 -16.519 425 2HB SER 58 2HB SER 58 11.229 3.281 -17.692 426 HG SER 58 HG SER 58 13.291 5.207 -17.467 427 H ASP 59 H ASP 59 8.957 3.693 -16.472 428 HA ASP 59 HA ASP 59 7.896 5.927 -18.119 429 1HB ASP 59 1HB ASP 59 7.900 3.620 -19.078 430 2HB ASP 59 2HB ASP 59 6.851 3.097 -17.743 431 HA PRO 60 HA PRO 60 5.307 7.141 -14.771 432 1HB PRO 60 1HB PRO 60 3.452 8.605 -16.127 433 2HB PRO 60 2HB PRO 60 5.166 9.122 -16.015 434 1HG PRO 60 1HG PRO 60 3.856 7.576 -18.270 435 2HG PRO 60 2HG PRO 60 4.833 9.075 -18.402 436 1HD PRO 60 1HD PRO 60 5.945 6.616 -18.782 437 2HD PRO 60 2HD PRO 60 6.840 7.890 -17.899 438 H ARG 61 H ARG 61 4.978 4.441 -15.730 439 HA ARG 61 HA ARG 61 2.192 3.989 -16.372 440 1HB ARG 61 1HB ARG 61 4.660 2.423 -15.998 441 2HB ARG 61 2HB ARG 61 3.198 1.601 -15.402 442 1HG ARG 61 1HG ARG 61 2.127 1.737 -17.527 443 2HG ARG 61 2HG ARG 61 3.294 2.940 -18.126 444 1HD ARG 61 1HD ARG 61 4.909 1.362 -18.558 445 2HD ARG 61 2HD ARG 61 4.409 0.325 -17.205 446 HE ARG 61 HE ARG 61 2.328 0.262 -19.096 447 1HH1 ARG 61 1HH1 ARG 61 3.583 -2.435 -20.991 448 2HH1 ARG 61 2HH1 ARG 61 2.168 -1.482 -20.603 449 1HH2 ARG 61 1HH2 ARG 61 5.620 -1.947 -19.992 450 2HH2 ARG 61 2HH2 ARG 61 5.741 -0.627 -18.851 451 H LEU 62 H LEU 62 1.244 5.300 -14.625 452 HA LEU 62 HA LEU 62 1.578 4.335 -11.889 453 1HB LEU 62 1HB LEU 62 1.110 6.765 -12.748 454 2HB LEU 62 2HB LEU 62 -0.583 6.222 -12.828 455 HG LEU 62 HG LEU 62 -0.123 7.248 -10.638 456 1HD1 LEU 62 1HD1 LEU 62 -0.164 4.409 -9.805 457 2HD1 LEU 62 2HD1 LEU 62 -1.376 5.689 -9.554 458 3HD1 LEU 62 3HD1 LEU 62 -1.324 4.803 -11.097 459 1HD2 LEU 62 1HD2 LEU 62 2.102 5.178 -10.594 460 2HD2 LEU 62 2HD2 LEU 62 2.235 6.941 -10.390 461 3HD2 LEU 62 3HD2 LEU 62 1.490 5.951 -9.112 462 H GLU 63 H GLU 63 0.137 3.107 -10.711 463 HA GLU 63 HA GLU 63 -2.332 2.219 -12.095 464 1HB GLU 63 1HB GLU 63 -0.189 0.437 -10.878 465 2HB GLU 63 2HB GLU 63 -1.821 -0.121 -11.319 466 1HG GLU 63 1HG GLU 63 0.307 1.031 -13.161 467 2HG GLU 63 2HG GLU 63 -0.360 -0.616 -13.176 468 H THR 64 H THR 64 -4.074 1.991 -10.752 469 HA THR 64 HA THR 64 -3.540 2.464 -7.858 470 HB THR 64 HB THR 64 -6.030 3.250 -7.986 471 HG1 THR 64 1HG THR 64 -6.752 3.713 -9.948 472 1HG2 THR 64 1HG2 THR 64 -5.127 5.325 -7.849 473 2HG2 THR 64 2HG2 THR 64 -3.559 4.527 -8.117 474 3HG2 THR 64 3HG2 THR 64 -4.449 5.224 -9.492 475 H ILE 65 H ILE 65 -4.600 1.192 -6.334 476 HA ILE 65 HA ILE 65 -6.315 -0.994 -7.373 477 HB ILE 65 HB ILE 65 -3.861 -1.699 -7.130 478 1HG1 ILE 65 1HG1 ILE 65 -6.011 -3.052 -5.445 479 2HG1 ILE 65 2HG1 ILE 65 -5.711 -3.316 -7.179 480 1HG2 ILE 65 1HG2 ILE 65 -4.554 -1.576 -4.170 481 2HG2 ILE 65 2HG2 ILE 65 -2.994 -2.016 -4.907 482 3HG2 ILE 65 3HG2 ILE 65 -3.577 -0.336 -4.993 483 1HD1 ILE 65 1HD1 ILE 65 -3.257 -3.867 -6.374 484 2HD1 ILE 65 2HD1 ILE 65 -4.045 -4.145 -4.803 485 3HD1 ILE 65 3HD1 ILE 65 -4.534 -5.097 -6.225 486 H THR 66 H THR 66 -8.092 -1.293 -6.139 487 HA THR 66 HA THR 66 -8.172 0.156 -3.546 488 HB THR 66 HB THR 66 -10.315 -0.761 -5.493 489 HG1 THR 66 1HG THR 66 -9.244 1.214 -5.900 490 1HG2 THR 66 1HG2 THR 66 -10.464 -0.500 -2.628 491 2HG2 THR 66 2HG2 THR 66 -11.376 0.837 -3.369 492 3HG2 THR 66 3HG2 THR 66 -11.775 -0.849 -3.779 493 H LEU 67 H LEU 67 -8.106 -0.989 -1.711 494 HA LEU 67 HA LEU 67 -8.471 -3.920 -1.888 495 1HB LEU 67 1HB LEU 67 -7.407 -2.175 0.368 496 2HB LEU 67 2HB LEU 67 -7.368 -3.953 0.296 497 HG LEU 67 HG LEU 67 -6.179 -2.395 -1.987 498 1HD1 LEU 67 1HD1 LEU 67 -5.407 -1.918 0.686 499 2HD1 LEU 67 2HD1 LEU 67 -4.201 -3.059 0.047 500 3HD1 LEU 67 3HD1 LEU 67 -4.487 -1.511 -0.782 501 1HD2 LEU 67 1HD2 LEU 67 -5.519 -4.478 -2.531 502 2HD2 LEU 67 2HD2 LEU 67 -4.624 -4.602 -0.998 503 3HD2 LEU 67 3HD2 LEU 67 -6.328 -5.108 -1.077 504 H GLN 68 H GLN 68 -10.280 -4.885 -1.178 505 HA GLN 68 HA GLN 68 -12.336 -3.226 0.101 506 1HB GLN 68 1HB GLN 68 -12.297 -6.107 -0.878 507 2HB GLN 68 2HB GLN 68 -13.724 -5.286 -0.203 508 1HG GLN 68 1HG GLN 68 -12.186 -4.018 -2.470 509 2HG GLN 68 2HG GLN 68 -13.348 -5.318 -2.809 510 1HE2 GLN 68 1HE2 GLN 68 -12.918 -1.965 -2.078 511 2HE2 GLN 68 2HE2 GLN 68 -14.610 -1.529 -1.965 512 H LYS 69 H LYS 69 -13.685 -4.720 1.801 513 HA LYS 69 HA LYS 69 -12.245 -4.664 4.188 514 1HB LYS 69 1HB LYS 69 -14.504 -6.611 3.655 515 2HB LYS 69 2HB LYS 69 -14.119 -5.740 5.158 516 1HG LYS 69 1HG LYS 69 -15.587 -4.152 4.506 517 2HG LYS 69 2HG LYS 69 -14.442 -3.727 3.212 518 1HD LYS 69 1HD LYS 69 -15.663 -4.803 1.599 519 2HD LYS 69 2HD LYS 69 -16.157 -6.110 2.700 520 1HE LYS 69 1HE LYS 69 -17.289 -3.604 3.597 521 2HE LYS 69 2HE LYS 69 -17.679 -3.850 1.880 522 1HZ LYS 69 1HZ LYS 69 -19.252 -4.833 3.474 523 2HZ LYS 69 2HZ LYS 69 -18.636 -5.906 2.384 524 3HZ LYS 69 3HZ LYS 69 -18.082 -5.898 3.937 525 H TRP 70 H TRP 70 -10.846 -6.000 5.217 526 HA TRP 70 HA TRP 70 -9.303 -7.691 5.409 527 1HB TRP 70 1HB TRP 70 -11.603 -9.450 4.527 528 2HB TRP 70 2HB TRP 70 -10.243 -9.888 5.569 529 HD1 TRP 70 HD TRP 70 -13.748 -8.891 5.718 530 HE1 TRP 70 1HE TRP 70 -14.471 -8.236 8.070 531 HE3 TRP 70 3HE TRP 70 -9.133 -8.441 7.885 532 HZ2 TRP 70 2HZ TRP 70 -13.209 -7.592 10.594 533 HZ3 TRP 70 3HZ TRP 70 -8.934 -7.806 10.261 534 HH2 TRP 70 HH TRP 70 -10.957 -7.378 11.626 535 H GLY 71 H GLY 71 -9.514 -6.370 2.773 536 1HA GLY 71 1HA GLY 71 -9.097 -8.516 0.820 537 2HA GLY 71 2HA GLY 71 -9.032 -6.764 0.524 538 H SER 72 H SER 72 -7.118 -8.793 -0.374 539 HA SER 72 HA SER 72 -4.704 -7.632 0.900 540 1HB SER 72 1HB SER 72 -4.524 -10.487 0.105 541 2HB SER 72 2HB SER 72 -3.822 -9.642 1.505 542 HG SER 72 HG SER 72 -5.538 -10.086 2.641 543 H TRP 73 H TRP 73 -2.778 -7.806 -0.485 544 HA TRP 73 HA TRP 73 -3.489 -8.175 -3.354 545 1HB TRP 73 1HB TRP 73 -3.386 -5.775 -2.684 546 2HB TRP 73 2HB TRP 73 -1.713 -6.023 -2.165 547 HD1 TRP 73 HD TRP 73 -3.056 -7.534 -5.405 548 HE1 TRP 73 1HE TRP 73 -1.877 -6.489 -7.406 549 HE3 TRP 73 3HE TRP 73 -0.426 -3.879 -2.973 550 HZ2 TRP 73 2HZ TRP 73 -0.016 -4.329 -7.903 551 HZ3 TRP 73 3HZ TRP 73 1.037 -2.349 -4.242 552 HH2 TRP 73 HH TRP 73 1.253 -2.560 -6.701 553 H ASN 74 H ASN 74 -2.161 -9.521 -4.430 554 HA ASN 74 HA ASN 74 0.544 -9.999 -3.285 555 1HB ASN 74 1HB ASN 74 0.202 -12.420 -3.952 556 2HB ASN 74 2HB ASN 74 -0.761 -11.871 -2.563 557 1HD2 ASN 74 1HD2 ASN 74 -1.836 -14.022 -3.490 558 2HD2 ASN 74 2HD2 ASN 74 -3.182 -13.740 -4.574 559 HA PRO 75 HA PRO 75 0.672 -8.956 -7.798 560 1HB PRO 75 1HB PRO 75 2.604 -7.041 -7.636 561 2HB PRO 75 2HB PRO 75 0.893 -6.696 -7.220 562 1HG PRO 75 1HG PRO 75 3.135 -7.433 -5.316 563 2HG PRO 75 2HG PRO 75 2.024 -6.030 -5.197 564 1HD PRO 75 1HD PRO 75 1.539 -8.344 -3.842 565 2HD PRO 75 2HD PRO 75 0.196 -7.443 -4.607 566 H GLY 76 H GLY 76 3.834 -8.264 -6.328 567 1HA GLY 76 1HA GLY 76 5.173 -10.590 -6.184 568 2HA GLY 76 2HA GLY 76 5.024 -10.404 -7.946 569 H HIS 77 H HIS 77 5.799 -8.327 -5.091 570 HA HIS 77 HA HIS 77 7.545 -6.890 -4.720 571 1HB HIS 77 1HB HIS 77 8.968 -8.778 -5.400 572 2HB HIS 77 2HB HIS 77 8.779 -8.317 -7.102 573 HD1 HIS 77 1HD HIS 77 9.400 -5.280 -7.057 574 HD2 HIS 77 2HD HIS 77 11.414 -8.190 -4.759 575 HE1 HIS 77 1HE HIS 77 11.692 -4.285 -6.456 576 HE2 HIS 77 2HE HIS 77 12.906 -6.061 -5.061 577 H ILE 78 H ILE 78 6.393 -5.012 -5.172 578 HA ILE 78 HA ILE 78 6.231 -4.099 -7.966 579 HB ILE 78 HB ILE 78 5.250 -2.858 -5.365 580 1HG1 ILE 78 1HG1 ILE 78 4.336 -5.162 -6.448 581 2HG1 ILE 78 2HG1 ILE 78 3.262 -3.978 -5.664 582 1HG2 ILE 78 1HG2 ILE 78 3.793 -1.558 -6.997 583 2HG2 ILE 78 2HG2 ILE 78 5.523 -1.142 -7.039 584 3HG2 ILE 78 3HG2 ILE 78 4.828 -2.185 -8.303 585 1HD1 ILE 78 1HD1 ILE 78 2.823 -2.924 -7.862 586 2HD1 ILE 78 2HD1 ILE 78 3.895 -4.109 -8.644 587 3HD1 ILE 78 3HD1 ILE 78 2.381 -4.648 -7.878 588 H HIS 79 H HIS 79 7.230 -2.221 -8.749 589 HA HIS 79 HA HIS 79 9.841 -1.711 -8.102 590 1HB HIS 79 1HB HIS 79 9.054 -0.731 -10.067 591 2HB HIS 79 2HB HIS 79 7.649 -0.005 -9.264 592 HD1 HIS 79 1HD HIS 79 11.411 0.433 -8.379 593 HD2 HIS 79 2HD HIS 79 7.964 2.562 -9.556 594 HE1 HIS 79 1HE HIS 79 12.037 2.926 -8.336 595 HE2 HIS 79 2HE HIS 79 9.935 4.208 -9.053 596 H GLU 80 H GLU 80 7.380 0.764 -7.242 597 HA GLU 80 HA GLU 80 8.176 0.757 -4.447 598 1HB GLU 80 1HB GLU 80 10.081 1.955 -5.473 599 2HB GLU 80 2HB GLU 80 8.949 3.103 -6.228 600 1HG GLU 80 1HG GLU 80 8.091 3.265 -3.670 601 2HG GLU 80 2HG GLU 80 9.788 2.835 -3.370 602 H ILE 81 H ILE 81 6.762 1.989 -3.155 603 HA ILE 81 HA ILE 81 4.193 2.532 -4.426 604 HB ILE 81 HB ILE 81 5.187 2.755 -1.559 605 1HG1 ILE 81 1HG1 ILE 81 5.021 0.464 -2.684 606 2HG1 ILE 81 2HG1 ILE 81 4.036 0.675 -1.217 607 1HG2 ILE 81 1HG2 ILE 81 3.344 4.048 -1.277 608 2HG2 ILE 81 2HG2 ILE 81 2.720 3.655 -2.897 609 3HG2 ILE 81 3HG2 ILE 81 2.417 2.551 -1.534 610 1HD1 ILE 81 1HD1 ILE 81 3.156 -0.040 -3.844 611 2HD1 ILE 81 2HD1 ILE 81 2.166 0.224 -2.388 612 3HD1 ILE 81 3HD1 ILE 81 2.513 1.581 -3.487 613 H LEU 82 H LEU 82 3.262 4.510 -4.795 614 HA LEU 82 HA LEU 82 5.081 6.816 -4.696 615 1HB LEU 82 1HB LEU 82 2.244 6.602 -5.773 616 2HB LEU 82 2HB LEU 82 3.425 7.892 -6.103 617 HG LEU 82 HG LEU 82 3.183 5.204 -7.298 618 1HD1 LEU 82 1HD1 LEU 82 4.662 7.774 -8.005 619 2HD1 LEU 82 2HD1 LEU 82 4.526 6.358 -9.073 620 3HD1 LEU 82 3HD1 LEU 82 3.067 7.265 -8.610 621 1HD2 LEU 82 1HD2 LEU 82 5.786 6.177 -6.092 622 2HD2 LEU 82 2HD2 LEU 82 5.069 4.549 -6.035 623 3HD2 LEU 82 3HD2 LEU 82 5.778 5.157 -7.550 624 H SER 83 H SER 83 1.597 6.331 -3.873 625 HA SER 83 HA SER 83 2.068 7.695 -1.299 626 1HB SER 83 1HB SER 83 1.449 9.361 -3.198 627 2HB SER 83 2HB SER 83 -0.171 8.629 -3.104 628 HG SER 83 HG SER 83 0.704 10.519 -1.607 629 H ILE 84 H ILE 84 -0.075 7.699 -0.009 630 HA ILE 84 HA ILE 84 -1.659 5.271 -0.680 631 HB ILE 84 HB ILE 84 -0.266 6.002 1.909 632 1HG1 ILE 84 1HG1 ILE 84 -0.521 3.342 0.457 633 2HG1 ILE 84 2HG1 ILE 84 0.777 4.508 0.106 634 1HG2 ILE 84 1HG2 ILE 84 -2.214 5.411 2.940 635 2HG2 ILE 84 2HG2 ILE 84 -2.877 4.660 1.469 636 3HG2 ILE 84 3HG2 ILE 84 -1.735 3.756 2.493 637 1HD1 ILE 84 1HD1 ILE 84 1.662 2.982 1.737 638 2HD1 ILE 84 2HD1 ILE 84 1.298 4.491 2.608 639 3HD1 ILE 84 3HD1 ILE 84 0.195 3.099 2.738 640 H ARG 85 H ARG 85 -3.822 5.547 -0.511 641 HA ARG 85 HA ARG 85 -4.764 8.008 0.887 642 1HB ARG 85 1HB ARG 85 -5.050 8.451 -1.424 643 2HB ARG 85 2HB ARG 85 -5.578 6.785 -1.764 644 1HG ARG 85 1HG ARG 85 -7.709 7.140 -0.919 645 2HG ARG 85 2HG ARG 85 -7.167 8.409 0.206 646 1HD ARG 85 1HD ARG 85 -8.181 9.756 -1.358 647 2HD ARG 85 2HD ARG 85 -6.574 9.643 -2.108 648 HE ARG 85 HE ARG 85 -9.065 8.390 -3.037 649 1HH1 ARG 85 1HH1 ARG 85 -7.389 7.171 -5.892 650 2HH1 ARG 85 2HH1 ARG 85 -8.944 7.417 -5.130 651 1HH2 ARG 85 1HH2 ARG 85 -5.446 7.821 -4.801 652 2HH2 ARG 85 2HH2 ARG 85 -5.538 8.557 -3.216 653 H ILE 86 H ILE 86 -6.265 7.689 2.433 654 HA ILE 86 HA ILE 86 -7.510 4.983 2.568 655 HB ILE 86 HB ILE 86 -6.965 6.942 4.831 656 1HG1 ILE 86 1HG1 ILE 86 -5.463 4.430 3.974 657 2HG1 ILE 86 2HG1 ILE 86 -4.864 6.100 3.828 658 1HG2 ILE 86 1HG2 ILE 86 -8.163 5.517 6.107 659 2HG2 ILE 86 2HG2 ILE 86 -8.676 4.702 4.610 660 3HG2 ILE 86 3HG2 ILE 86 -7.245 4.121 5.495 661 1HD1 ILE 86 1HD1 ILE 86 -4.141 4.692 5.909 662 2HD1 ILE 86 2HD1 ILE 86 -4.679 6.370 6.163 663 3HD1 ILE 86 3HD1 ILE 86 -5.787 5.019 6.501 664 H TYR 87 H TYR 87 -9.707 4.834 2.660 665 HA TYR 87 HA TYR 87 -11.209 7.294 2.144 666 1HB TYR 87 1HB TYR 87 -11.856 4.340 2.202 667 2HB TYR 87 2HB TYR 87 -13.122 5.571 2.051 668 HD1 TYR 87 1HD TYR 87 -13.821 6.106 -0.084 669 HD2 TYR 87 2HD TYR 87 -9.792 4.739 0.506 670 HE1 TYR 87 1HE TYR 87 -13.427 6.212 -2.530 671 HE2 TYR 87 2HE TYR 87 -9.398 4.845 -1.940 672 HH TYR 87 HH TYR 87 -11.875 5.189 -4.250 Start of MODEL 23 1 H MET 1 H MET 1 -4.654 13.294 8.267 2 HA MET 1 HA MET 1 -2.303 13.060 8.748 3 1HB MET 1 1HB MET 1 -4.243 12.601 10.977 4 2HB MET 1 2HB MET 1 -2.517 12.346 11.331 5 1HG MET 1 1HG MET 1 -1.992 14.580 10.467 6 2HG MET 1 2HG MET 1 -3.693 14.836 10.043 7 1HE MET 1 1HE MET 1 -2.191 17.166 12.244 8 2HE MET 1 2HE MET 1 -3.373 16.955 10.930 9 3HE MET 1 3HE MET 1 -3.929 17.371 12.569 10 H ILE 2 H ILE 2 -2.500 10.931 7.180 11 HA ILE 2 HA ILE 2 -2.390 8.363 8.277 12 HB ILE 2 HB ILE 2 -2.477 8.778 5.876 13 1HG1 ILE 2 1HG1 ILE 2 0.230 7.515 6.371 14 2HG1 ILE 2 2HG1 ILE 2 -1.262 6.724 6.934 15 1HG2 ILE 2 1HG2 ILE 2 -0.193 10.482 6.526 16 2HG2 ILE 2 2HG2 ILE 2 0.180 9.383 5.176 17 3HG2 ILE 2 3HG2 ILE 2 -1.221 10.476 5.072 18 1HD1 ILE 2 1HD1 ILE 2 -2.139 7.072 4.526 19 2HD1 ILE 2 2HD1 ILE 2 -0.447 7.416 4.093 20 3HD1 ILE 2 3HD1 ILE 2 -0.890 5.827 4.763 21 H ASN 3 H ASN 3 -0.913 7.206 9.418 22 HA ASN 3 HA ASN 3 1.828 8.301 9.674 23 1HB ASN 3 1HB ASN 3 -0.194 8.532 11.664 24 2HB ASN 3 2HB ASN 3 0.939 7.280 12.217 25 1HD2 ASN 3 1HD2 ASN 3 0.942 10.552 10.688 26 2HD2 ASN 3 2HD2 ASN 3 2.319 11.156 11.584 27 H ARG 4 H ARG 4 3.406 6.730 10.188 28 HA ARG 4 HA ARG 4 2.732 4.066 9.279 29 1HB ARG 4 1HB ARG 4 5.108 5.674 9.779 30 2HB ARG 4 2HB ARG 4 5.292 4.034 10.447 31 1HG ARG 4 1HG ARG 4 4.059 3.597 7.982 32 2HG ARG 4 2HG ARG 4 5.205 4.918 7.645 33 1HD ARG 4 1HD ARG 4 6.185 2.645 9.328 34 2HD ARG 4 2HD ARG 4 5.933 2.322 7.599 35 HE ARG 4 HE ARG 4 7.354 4.694 7.650 36 1HH1 ARG 4 1HH1 ARG 4 10.604 3.394 8.087 37 2HH1 ARG 4 2HH1 ARG 4 9.662 4.768 7.553 38 1HH2 ARG 4 1HH2 ARG 4 9.537 1.498 8.892 39 2HH2 ARG 4 2HH2 ARG 4 7.790 1.442 8.966 40 H THR 5 H THR 5 1.682 2.646 10.542 41 HA THR 5 HA THR 5 2.381 2.626 13.442 42 HB THR 5 HB THR 5 0.045 3.324 12.948 43 HG1 THR 5 1HG THR 5 0.578 2.056 14.807 44 1HG2 THR 5 1HG2 THR 5 0.121 0.719 11.424 45 2HG2 THR 5 2HG2 THR 5 -1.410 1.271 12.145 46 3HG2 THR 5 3HG2 THR 5 -0.574 2.286 10.945 47 H ASP 6 H ASP 6 2.531 0.559 14.470 48 HA ASP 6 HA ASP 6 3.483 -1.522 12.615 49 1HB ASP 6 1HB ASP 6 4.534 -0.601 14.906 50 2HB ASP 6 2HB ASP 6 3.490 -1.869 15.586 51 H CYS 7 H CYS 7 0.617 -0.897 12.734 52 HA CYS 7 HA CYS 7 -1.414 -1.934 13.013 53 1HB CYS 7 1HB CYS 7 -0.993 -4.602 12.824 54 2HB CYS 7 2HB CYS 7 -1.013 -3.501 11.436 55 H ASN 8 H ASN 8 -1.731 -1.288 15.209 56 HA ASN 8 HA ASN 8 -0.818 -3.061 17.342 57 1HB ASN 8 1HB ASN 8 -2.645 -0.631 17.301 58 2HB ASN 8 2HB ASN 8 -2.117 -1.476 18.773 59 1HD2 ASN 8 1HD2 ASN 8 -0.976 0.345 15.910 60 2HD2 ASN 8 2HD2 ASN 8 0.520 0.899 16.631 61 H GLU 9 H GLU 9 -3.392 -3.010 15.108 62 HA GLU 9 HA GLU 9 -4.770 -5.103 16.660 63 1HB GLU 9 1HB GLU 9 -5.865 -2.925 17.245 64 2HB GLU 9 2HB GLU 9 -6.235 -2.693 15.519 65 1HG GLU 9 1HG GLU 9 -8.035 -4.029 15.690 66 2HG GLU 9 2HG GLU 9 -7.022 -5.355 16.303 67 H ASN 10 H ASN 10 -5.729 -6.651 15.368 68 HA ASN 10 HA ASN 10 -4.876 -6.709 12.609 69 1HB ASN 10 1HB ASN 10 -6.802 -8.505 14.131 70 2HB ASN 10 2HB ASN 10 -6.034 -8.872 12.572 71 1HD2 ASN 10 1HD2 ASN 10 -3.671 -9.075 12.499 72 2HD2 ASN 10 2HD2 ASN 10 -2.809 -9.597 13.930 73 H SER 11 H SER 11 -5.915 -4.676 11.915 74 HA SER 11 HA SER 11 -8.270 -5.158 10.435 75 1HB SER 11 1HB SER 11 -9.996 -4.172 11.652 76 2HB SER 11 2HB SER 11 -9.101 -5.030 12.929 77 HG SER 11 HG SER 11 -8.847 -2.293 12.211 78 H TYR 12 H TYR 12 -5.984 -4.186 9.556 79 HA TYR 12 HA TYR 12 -6.675 -1.464 8.780 80 1HB TYR 12 1HB TYR 12 -4.267 -2.088 10.505 81 2HB TYR 12 2HB TYR 12 -4.343 -0.658 9.461 82 HD1 TYR 12 1HD TYR 12 -6.822 0.569 9.729 83 HD2 TYR 12 2HD TYR 12 -4.695 -1.652 12.728 84 HE1 TYR 12 1HE TYR 12 -8.040 1.800 11.504 85 HE2 TYR 12 2HE TYR 12 -5.913 -0.422 14.503 86 HH TYR 12 HH TYR 12 -7.814 2.383 13.909 87 H LEU 13 H LEU 13 -4.602 -0.619 7.414 88 HA LEU 13 HA LEU 13 -4.166 -2.764 5.444 89 1HB LEU 13 1HB LEU 13 -4.823 -0.843 4.330 90 2HB LEU 13 2HB LEU 13 -4.006 0.236 5.486 91 HG LEU 13 HG LEU 13 -1.822 -0.965 4.560 92 1HD1 LEU 13 1HD1 LEU 13 -2.331 -2.457 2.928 93 2HD1 LEU 13 2HD1 LEU 13 -3.982 -1.819 2.747 94 3HD1 LEU 13 3HD1 LEU 13 -2.627 -1.035 1.900 95 1HD2 LEU 13 1HD2 LEU 13 -3.248 1.444 3.991 96 2HD2 LEU 13 2HD2 LEU 13 -1.504 1.135 3.808 97 3HD2 LEU 13 3HD2 LEU 13 -2.610 0.833 2.445 98 H GLU 14 H GLU 14 -2.216 -3.694 5.006 99 HA GLU 14 HA GLU 14 0.200 -2.529 6.257 100 1HB GLU 14 1HB GLU 14 -0.413 -5.482 6.513 101 2HB GLU 14 2HB GLU 14 0.793 -4.512 7.392 102 1HG GLU 14 1HG GLU 14 -0.924 -3.353 8.624 103 2HG GLU 14 2HG GLU 14 -2.205 -4.049 7.608 104 H ILE 15 H ILE 15 1.688 -2.339 4.703 105 HA ILE 15 HA ILE 15 1.554 -4.234 2.412 106 HB ILE 15 HB ILE 15 2.866 -1.495 2.594 107 1HG1 ILE 15 1HG1 ILE 15 0.380 -2.130 1.007 108 2HG1 ILE 15 2HG1 ILE 15 0.239 -1.771 2.745 109 1HG2 ILE 15 1HG2 ILE 15 2.903 -3.688 0.659 110 2HG2 ILE 15 2HG2 ILE 15 2.261 -2.192 -0.060 111 3HG2 ILE 15 3HG2 ILE 15 3.872 -2.196 0.695 112 1HD1 ILE 15 1HD1 ILE 15 0.856 0.030 0.488 113 2HD1 ILE 15 2HD1 ILE 15 0.218 0.409 2.105 114 3HD1 ILE 15 3HD1 ILE 15 1.970 0.206 1.865 115 H HIS 16 H HIS 16 3.086 -5.759 2.317 116 HA HIS 16 HA HIS 16 5.654 -5.221 3.737 117 1HB HIS 16 1HB HIS 16 5.779 -7.638 4.126 118 2HB HIS 16 2HB HIS 16 4.303 -6.954 4.832 119 HD1 HIS 16 1HD HIS 16 5.439 -9.534 2.336 120 HD2 HIS 16 2HD HIS 16 1.945 -7.438 3.433 121 HE1 HIS 16 1HE HIS 16 3.464 -10.787 1.269 122 HE2 HIS 16 2HE HIS 16 1.349 -9.504 1.942 123 H ASN 17 H ASN 17 6.985 -4.555 2.106 124 HA ASN 17 HA ASN 17 6.978 -6.145 -0.403 125 1HB ASN 17 1HB ASN 17 8.405 -4.212 -1.217 126 2HB ASN 17 2HB ASN 17 6.726 -3.801 -0.805 127 1HD2 ASN 17 1HD2 ASN 17 8.742 -1.839 -0.923 128 2HD2 ASN 17 2HD2 ASN 17 9.042 -1.238 0.693 129 H ASN 18 H ASN 18 9.506 -5.776 -1.326 130 HA ASN 18 HA ASN 18 11.588 -6.724 -1.211 131 1HB ASN 18 1HB ASN 18 11.206 -5.392 1.449 132 2HB ASN 18 2HB ASN 18 12.620 -6.445 1.230 133 1HD2 ASN 18 1HD2 ASN 18 11.859 -3.318 1.251 134 2HD2 ASN 18 2HD2 ASN 18 12.887 -2.699 -0.024 135 H GLU 19 H GLU 19 9.202 -8.396 -0.678 136 HA GLU 19 HA GLU 19 8.777 -10.572 -0.108 137 1HB GLU 19 1HB GLU 19 11.795 -10.594 0.266 138 2HB GLU 19 2HB GLU 19 10.769 -12.046 0.353 139 1HG GLU 19 1HG GLU 19 9.940 -11.575 -1.943 140 2HG GLU 19 2HG GLU 19 11.010 -10.159 -2.027 141 H GLY 20 H GLY 20 7.646 -9.438 1.726 142 1HA GLY 20 1HA GLY 20 7.264 -9.079 3.982 143 2HA GLY 20 2HA GLY 20 7.796 -10.771 4.098 144 H ARG 21 H ARG 21 9.712 -7.885 3.172 145 HA ARG 21 HA ARG 21 11.625 -8.578 5.321 146 1HB ARG 21 1HB ARG 21 12.449 -8.319 2.992 147 2HB ARG 21 2HB ARG 21 11.853 -6.641 2.983 148 1HG ARG 21 1HG ARG 21 13.346 -6.819 5.347 149 2HG ARG 21 2HG ARG 21 14.299 -7.746 4.164 150 1HD ARG 21 1HD ARG 21 13.745 -5.688 2.585 151 2HD ARG 21 2HD ARG 21 13.503 -4.841 4.128 152 HE ARG 21 HE ARG 21 15.934 -6.142 4.417 153 1HH1 ARG 21 1HH1 ARG 21 17.998 -3.799 2.776 154 2HH1 ARG 21 2HH1 ARG 21 17.947 -5.124 3.917 155 1HH2 ARG 21 1HH2 ARG 21 16.043 -3.063 1.765 156 2HH2 ARG 21 2HH2 ARG 21 14.518 -3.834 2.143 157 H ASP 22 H ASP 22 9.868 -5.738 3.963 158 HA ASP 22 HA ASP 22 9.978 -4.542 6.688 159 1HB ASP 22 1HB ASP 22 10.434 -3.199 4.000 160 2HB ASP 22 2HB ASP 22 10.160 -2.319 5.519 161 H THR 23 H THR 23 7.952 -4.460 7.456 162 HA THR 23 HA THR 23 5.733 -4.174 5.504 163 HB THR 23 HB THR 23 5.705 -4.984 8.438 164 HG1 THR 23 1HG THR 23 5.425 -7.049 7.578 165 1HG2 THR 23 1HG2 THR 23 3.400 -5.868 7.658 166 2HG2 THR 23 2HG2 THR 23 3.562 -4.112 7.893 167 3HG2 THR 23 3HG2 THR 23 3.609 -4.798 6.251 168 H LEU 24 H LEU 24 4.046 -2.640 5.891 169 HA LEU 24 HA LEU 24 4.699 -0.505 7.844 170 1HB LEU 24 1HB LEU 24 3.789 0.171 5.044 171 2HB LEU 24 2HB LEU 24 4.597 1.207 6.245 172 HG LEU 24 HG LEU 24 6.327 -1.006 5.790 173 1HD1 LEU 24 1HD1 LEU 24 5.328 0.275 3.209 174 2HD1 LEU 24 2HD1 LEU 24 6.693 -0.857 3.354 175 3HD1 LEU 24 3HD1 LEU 24 5.038 -1.410 3.704 176 1HD2 LEU 24 1HD2 LEU 24 7.795 0.781 4.853 177 2HD2 LEU 24 2HD2 LEU 24 6.397 1.881 4.812 178 3HD2 LEU 24 3HD2 LEU 24 7.012 1.281 6.371 179 H CYS 25 H CYS 25 2.982 -0.531 9.176 180 HA CYS 25 HA CYS 25 0.316 -1.145 8.055 181 1HB CYS 25 1HB CYS 25 0.936 -0.628 10.956 182 2HB CYS 25 2HB CYS 25 -0.332 -1.640 10.245 183 H PHE 26 H PHE 26 -0.951 0.489 7.416 184 HA PHE 26 HA PHE 26 -0.495 3.158 8.654 185 1HB PHE 26 1HB PHE 26 -1.691 2.323 5.992 186 2HB PHE 26 2HB PHE 26 -1.678 3.987 6.601 187 HD1 PHE 26 1HD PHE 26 0.185 1.412 4.886 188 HD2 PHE 26 2HD PHE 26 0.562 5.105 7.048 189 HE1 PHE 26 1HE PHE 26 2.447 1.744 3.925 190 HE2 PHE 26 2HE PHE 26 2.824 5.437 6.086 191 HZ PHE 26 HZ PHE 26 3.767 3.756 4.525 192 H ALA 27 H ALA 27 -2.341 4.436 9.229 193 HA ALA 27 HA ALA 27 -4.918 2.987 9.373 194 1HB ALA 27 1HB ALA 27 -5.029 2.942 11.649 195 2HB ALA 27 2HB ALA 27 -3.253 2.943 11.527 196 3HB ALA 27 3HB ALA 27 -4.125 4.465 11.828 197 H ASN 28 H ASN 28 -6.616 4.601 10.374 198 HA ASN 28 HA ASN 28 -7.717 6.606 10.218 199 1HB ASN 28 1HB ASN 28 -4.857 7.556 9.962 200 2HB ASN 28 2HB ASN 28 -6.224 8.682 9.820 201 1HD2 ASN 28 1HD2 ASN 28 -4.221 6.826 11.969 202 2HD2 ASN 28 2HD2 ASN 28 -5.013 7.274 13.464 203 H ALA 29 H ALA 29 -8.799 7.719 8.597 204 HA ALA 29 HA ALA 29 -8.507 6.723 5.947 205 1HB ALA 29 1HB ALA 29 -10.109 8.672 5.444 206 2HB ALA 29 2HB ALA 29 -10.660 7.460 6.625 207 3HB ALA 29 3HB ALA 29 -10.036 9.029 7.186 208 H GLY 30 H GLY 30 -6.559 8.858 7.640 209 1HA GLY 30 1HA GLY 30 -6.018 11.016 6.015 210 2HA GLY 30 2HA GLY 30 -4.771 10.123 6.915 211 H THR 31 H THR 31 -4.386 11.408 4.356 212 HA THR 31 HA THR 31 -3.595 9.010 2.806 213 HB THR 31 HB THR 31 -5.139 11.401 1.732 214 HG1 THR 31 1HG THR 31 -6.721 9.999 1.541 215 1HG2 THR 31 1HG2 THR 31 -4.223 10.997 -0.288 216 2HG2 THR 31 2HG2 THR 31 -3.106 9.847 0.484 217 3HG2 THR 31 3HG2 THR 31 -4.659 9.276 -0.172 218 H MET 32 H MET 32 -1.465 9.127 2.453 219 HA MET 32 HA MET 32 -0.286 11.770 1.829 220 1HB MET 32 1HB MET 32 1.455 11.538 3.446 221 2HB MET 32 2HB MET 32 -0.066 11.223 4.316 222 1HG MET 32 1HG MET 32 0.266 8.813 4.080 223 2HG MET 32 2HG MET 32 1.733 9.083 3.125 224 1HE MET 32 1HE MET 32 2.094 7.167 4.724 225 2HE MET 32 2HE MET 32 3.293 7.438 6.011 226 3HE MET 32 3HE MET 32 1.564 7.322 6.416 227 HA PRO 33 HA PRO 33 1.954 9.481 -1.170 228 1HB PRO 33 1HB PRO 33 4.260 10.913 -1.407 229 2HB PRO 33 2HB PRO 33 2.667 11.606 -1.852 230 1HG PRO 33 1HG PRO 33 4.140 11.924 0.779 231 2HG PRO 33 2HG PRO 33 3.468 13.226 -0.256 232 1HD PRO 33 1HD PRO 33 2.071 12.231 1.862 233 2HD PRO 33 2HD PRO 33 1.234 12.631 0.332 234 H VAL 34 H VAL 34 3.039 7.585 -1.056 235 HA VAL 34 HA VAL 34 5.159 7.317 1.015 236 HB VAL 34 HB VAL 34 4.324 5.152 1.639 237 1HG1 VAL 34 1HG1 VAL 34 1.840 5.800 2.196 238 2HG1 VAL 34 2HG1 VAL 34 3.164 6.755 2.904 239 3HG1 VAL 34 3HG1 VAL 34 2.278 7.373 1.489 240 1HG2 VAL 34 1HG2 VAL 34 1.831 5.085 0.160 241 2HG2 VAL 34 2HG2 VAL 34 3.202 5.206 -0.970 242 3HG2 VAL 34 3HG2 VAL 34 3.137 3.875 0.210 243 H ALA 35 H ALA 35 6.664 5.507 0.546 244 HA ALA 35 HA ALA 35 6.778 4.886 -2.364 245 1HB ALA 35 1HB ALA 35 8.367 6.686 -1.881 246 2HB ALA 35 2HB ALA 35 9.059 5.743 -0.539 247 3HB ALA 35 3HB ALA 35 9.244 5.174 -2.215 248 H ILE 36 H ILE 36 6.450 2.745 -2.517 249 HA ILE 36 HA ILE 36 7.969 0.999 -0.646 250 HB ILE 36 HB ILE 36 5.054 0.850 -1.465 251 1HG1 ILE 36 1HG1 ILE 36 5.823 0.189 1.279 252 2HG1 ILE 36 2HG1 ILE 36 6.407 1.802 0.805 253 1HG2 ILE 36 1HG2 ILE 36 5.305 -1.393 -1.627 254 2HG2 ILE 36 2HG2 ILE 36 6.986 -1.314 -1.048 255 3HG2 ILE 36 3HG2 ILE 36 5.645 -1.383 0.120 256 1HD1 ILE 36 1HD1 ILE 36 4.277 2.400 1.443 257 2HD1 ILE 36 2HD1 ILE 36 3.916 1.930 -0.235 258 3HD1 ILE 36 3HD1 ILE 36 3.607 0.789 1.095 259 H TYR 37 H TYR 37 9.476 0.035 -1.882 260 HA TYR 37 HA TYR 37 8.755 -0.662 -4.676 261 1HB TYR 37 1HB TYR 37 11.430 -0.513 -3.247 262 2HB TYR 37 2HB TYR 37 11.203 -0.941 -4.951 263 HD1 TYR 37 1HD TYR 37 10.923 1.794 -2.459 264 HD2 TYR 37 2HD TYR 37 10.810 0.731 -6.620 265 HE1 TYR 37 1HE TYR 37 11.019 4.195 -3.076 266 HE2 TYR 37 2HE TYR 37 10.906 3.131 -7.236 267 HH TYR 37 HH TYR 37 10.408 5.679 -5.032 268 H GLY 38 H GLY 38 8.716 -2.762 -5.384 269 1HA GLY 38 1HA GLY 38 8.893 -5.065 -5.307 270 2HA GLY 38 2HA GLY 38 9.876 -4.918 -3.832 271 H VAL 39 H VAL 39 6.483 -4.336 -4.929 272 HA VAL 39 HA VAL 39 5.468 -4.888 -2.250 273 HB VAL 39 HB VAL 39 4.018 -4.470 -4.894 274 1HG1 VAL 39 1HG1 VAL 39 2.347 -5.304 -3.546 275 2HG1 VAL 39 2HG1 VAL 39 3.193 -4.864 -2.043 276 3HG1 VAL 39 3HG1 VAL 39 2.323 -3.619 -2.972 277 1HG2 VAL 39 1HG2 VAL 39 4.548 -2.290 -4.685 278 2HG2 VAL 39 2HG2 VAL 39 3.826 -2.267 -3.058 279 3HG2 VAL 39 3HG2 VAL 39 5.547 -2.672 -3.262 280 H ASN 40 H ASN 40 5.062 -6.870 -1.478 281 HA ASN 40 HA ASN 40 4.824 -9.093 -3.433 282 1HB ASN 40 1HB ASN 40 5.318 -9.174 -0.435 283 2HB ASN 40 2HB ASN 40 5.425 -10.535 -1.572 284 1HD2 ASN 40 1HD2 ASN 40 7.145 -10.575 -3.148 285 2HD2 ASN 40 2HD2 ASN 40 8.613 -9.657 -2.886 286 H TRP 41 H TRP 41 3.305 -7.663 -0.507 287 HA TRP 41 HA TRP 41 0.681 -8.449 -1.457 288 1HB TRP 41 1HB TRP 41 1.244 -10.577 -0.565 289 2HB TRP 41 2HB TRP 41 1.995 -9.864 0.870 290 HD1 TRP 41 HD TRP 41 -0.079 -8.162 2.167 291 HE1 TRP 41 1HE TRP 41 -2.313 -9.025 3.034 292 HE3 TRP 41 3HE TRP 41 -0.461 -12.406 -0.670 293 HZ2 TRP 41 2HZ TRP 41 -4.062 -11.282 2.562 294 HZ3 TRP 41 3HZ TRP 41 -2.422 -13.884 -0.433 295 HH2 TRP 41 HH TRP 41 -4.226 -13.339 1.174 296 H VAL 42 H VAL 42 -1.014 -7.472 -0.215 297 HA VAL 42 HA VAL 42 -0.082 -5.572 1.872 298 HB VAL 42 HB VAL 42 -1.606 -5.003 -0.673 299 1HG1 VAL 42 1HG1 VAL 42 -1.610 -3.234 1.804 300 2HG1 VAL 42 2HG1 VAL 42 -2.481 -2.964 0.276 301 3HG1 VAL 42 3HG1 VAL 42 -2.968 -4.293 1.355 302 1HG2 VAL 42 1HG2 VAL 42 0.678 -3.716 0.874 303 2HG2 VAL 42 2HG2 VAL 42 0.760 -4.518 -0.713 304 3HG2 VAL 42 3HG2 VAL 42 -0.094 -2.965 -0.542 305 H GLU 43 H GLU 43 -1.565 -5.179 3.522 306 HA GLU 43 HA GLU 43 -3.902 -7.018 3.510 307 1HB GLU 43 1HB GLU 43 -2.132 -5.852 5.662 308 2HB GLU 43 2HB GLU 43 -3.767 -6.437 6.053 309 1HG GLU 43 1HG GLU 43 -3.101 -8.588 4.785 310 2HG GLU 43 2HG GLU 43 -1.432 -7.990 4.899 311 H SER 44 H SER 44 -5.917 -6.245 4.446 312 HA SER 44 HA SER 44 -6.246 -3.367 4.807 313 1HB SER 44 1HB SER 44 -7.314 -4.843 2.385 314 2HB SER 44 2HB SER 44 -8.092 -3.368 3.008 315 HG SER 44 HG SER 44 -6.395 -2.209 2.441 316 H GLY 45 H GLY 45 -6.854 -4.185 6.914 317 1HA GLY 45 1HA GLY 45 -8.726 -6.114 7.527 318 2HA GLY 45 2HA GLY 45 -8.527 -4.604 8.445 319 H ASN 46 H ASN 46 -10.915 -4.946 8.798 320 HA ASN 46 HA ASN 46 -12.758 -4.717 6.632 321 1HB ASN 46 1HB ASN 46 -13.245 -5.565 8.950 322 2HB ASN 46 2HB ASN 46 -13.137 -3.889 9.531 323 1HD2 ASN 46 1HD2 ASN 46 -15.439 -5.863 9.408 324 2HD2 ASN 46 2HD2 ASN 46 -16.708 -5.012 8.554 325 H ASN 47 H ASN 47 -11.033 -2.912 5.789 326 HA ASN 47 HA ASN 47 -12.534 -0.404 6.034 327 1HB ASN 47 1HB ASN 47 -10.239 0.785 6.352 328 2HB ASN 47 2HB ASN 47 -11.047 0.086 7.772 329 1HD2 ASN 47 1HD2 ASN 47 -8.599 -0.620 5.235 330 2HD2 ASN 47 2HD2 ASN 47 -7.620 -1.680 6.226 331 H VAL 48 H VAL 48 -12.325 0.906 4.215 332 HA VAL 48 HA VAL 48 -11.081 -0.434 1.905 333 HB VAL 48 HB VAL 48 -12.752 2.104 1.998 334 1HG1 VAL 48 1HG1 VAL 48 -11.416 0.534 -0.072 335 2HG1 VAL 48 2HG1 VAL 48 -13.170 0.626 -0.360 336 3HG1 VAL 48 3HG1 VAL 48 -12.216 2.120 -0.196 337 1HG2 VAL 48 1HG2 VAL 48 -14.692 0.719 1.604 338 2HG2 VAL 48 2HG2 VAL 48 -13.688 -0.745 1.474 339 3HG2 VAL 48 3HG2 VAL 48 -13.868 0.074 3.044 340 H VAL 49 H VAL 49 -9.091 0.086 1.235 341 HA VAL 49 HA VAL 49 -8.160 2.876 1.644 342 HB VAL 49 HB VAL 49 -6.782 0.306 2.471 343 1HG1 VAL 49 1HG1 VAL 49 -4.899 1.205 1.556 344 2HG1 VAL 49 2HG1 VAL 49 -5.642 2.812 1.376 345 3HG1 VAL 49 3HG1 VAL 49 -4.961 2.316 2.944 346 1HG2 VAL 49 1HG2 VAL 49 -6.315 2.195 4.384 347 2HG2 VAL 49 2HG2 VAL 49 -7.884 2.757 3.756 348 3HG2 VAL 49 3HG2 VAL 49 -7.722 1.105 4.400 349 H THR 50 H THR 50 -7.166 3.722 -0.120 350 HA THR 50 HA THR 50 -6.847 1.908 -2.441 351 HB THR 50 HB THR 50 -7.271 4.865 -2.054 352 HG1 THR 50 1HG THR 50 -8.318 2.931 -3.853 353 1HG2 THR 50 1HG2 THR 50 -6.856 4.795 -4.699 354 2HG2 THR 50 2HG2 THR 50 -5.529 5.124 -3.559 355 3HG2 THR 50 3HG2 THR 50 -5.733 3.492 -4.240 356 H LEU 51 H LEU 51 -4.895 1.465 -3.343 357 HA LEU 51 HA LEU 51 -2.532 2.732 -2.045 358 1HB LEU 51 1HB LEU 51 -3.074 -0.015 -3.180 359 2HB LEU 51 2HB LEU 51 -1.409 0.602 -3.058 360 HG LEU 51 HG LEU 51 -3.403 0.057 -0.847 361 1HD1 LEU 51 1HD1 LEU 51 -1.179 -0.870 0.130 362 2HD1 LEU 51 2HD1 LEU 51 -1.931 -1.762 -1.214 363 3HD1 LEU 51 3HD1 LEU 51 -0.543 -0.691 -1.524 364 1HD2 LEU 51 1HD2 LEU 51 -2.765 2.238 -0.231 365 2HD2 LEU 51 2HD2 LEU 51 -1.559 1.227 0.601 366 3HD2 LEU 51 3HD2 LEU 51 -1.132 2.056 -0.915 367 H GLN 52 H GLN 52 -1.289 4.028 -3.262 368 HA GLN 52 HA GLN 52 -1.677 3.906 -6.214 369 1HB GLN 52 1HB GLN 52 -1.137 6.148 -4.267 370 2HB GLN 52 2HB GLN 52 -0.652 6.306 -5.973 371 1HG GLN 52 1HG GLN 52 -3.200 5.303 -6.218 372 2HG GLN 52 2HG GLN 52 -3.355 6.298 -4.753 373 1HE2 GLN 52 1HE2 GLN 52 -1.838 6.459 -8.031 374 2HE2 GLN 52 2HE2 GLN 52 -2.285 8.123 -8.341 375 H PHE 53 H PHE 53 -0.066 2.750 -7.118 376 HA PHE 53 HA PHE 53 2.706 3.442 -6.305 377 1HB PHE 53 1HB PHE 53 3.327 1.079 -6.435 378 2HB PHE 53 2HB PHE 53 2.098 1.346 -5.187 379 HD1 PHE 53 1HD PHE 53 -0.216 0.570 -5.511 380 HD2 PHE 53 2HD PHE 53 2.851 -0.226 -8.412 381 HE1 PHE 53 1HE PHE 53 -1.649 -1.168 -6.550 382 HE2 PHE 53 2HE PHE 53 1.417 -1.963 -9.451 383 HZ PHE 53 HZ PHE 53 -0.833 -2.433 -8.520 384 H GLN 54 H GLN 54 4.292 3.057 -7.984 385 HA GLN 54 HA GLN 54 3.060 3.254 -10.676 386 1HB GLN 54 1HB GLN 54 4.818 4.918 -9.512 387 2HB GLN 54 2HB GLN 54 5.972 3.747 -10.195 388 1HG GLN 54 1HG GLN 54 5.181 4.101 -12.412 389 2HG GLN 54 2HG GLN 54 3.714 4.926 -11.841 390 1HE2 GLN 54 1HE2 GLN 54 7.025 5.271 -12.796 391 2HE2 GLN 54 2HE2 GLN 54 7.180 6.988 -12.491 392 H ARG 55 H ARG 55 2.947 1.390 -11.775 393 HA ARG 55 HA ARG 55 4.176 -1.012 -11.129 394 1HB ARG 55 1HB ARG 55 2.385 -0.237 -12.983 395 2HB ARG 55 2HB ARG 55 3.818 -0.380 -14.029 396 1HG ARG 55 1HG ARG 55 3.803 -2.641 -13.904 397 2HG ARG 55 2HG ARG 55 3.577 -2.617 -12.139 398 1HD ARG 55 1HD ARG 55 1.141 -1.684 -13.187 399 2HD ARG 55 2HD ARG 55 1.609 -3.021 -14.260 400 HE ARG 55 HE ARG 55 0.749 -3.209 -11.495 401 1HH1 ARG 55 1HH1 ARG 55 1.469 -6.660 -11.382 402 2HH1 ARG 55 2HH1 ARG 55 0.652 -5.333 -10.589 403 1HH2 ARG 55 1HH2 ARG 55 2.651 -6.290 -13.345 404 2HH2 ARG 55 2HH2 ARG 55 2.724 -4.682 -14.031 405 H ASN 56 H ASN 56 5.264 1.305 -13.682 406 HA ASN 56 HA ASN 56 7.998 0.161 -13.344 407 1HB ASN 56 1HB ASN 56 6.682 1.423 -15.778 408 2HB ASN 56 2HB ASN 56 8.368 0.869 -15.692 409 1HD2 ASN 56 1HD2 ASN 56 6.896 -0.235 -17.662 410 2HD2 ASN 56 2HD2 ASN 56 6.442 -1.881 -17.275 411 H LEU 57 H LEU 57 9.773 1.622 -13.382 412 HA LEU 57 HA LEU 57 9.091 4.248 -12.278 413 1HB LEU 57 1HB LEU 57 10.880 2.824 -11.296 414 2HB LEU 57 2HB LEU 57 11.788 2.946 -12.823 415 HG LEU 57 HG LEU 57 12.290 5.193 -12.505 416 1HD1 LEU 57 1HD1 LEU 57 9.707 5.224 -10.931 417 2HD1 LEU 57 2HD1 LEU 57 10.890 6.539 -10.740 418 3HD1 LEU 57 3HD1 LEU 57 10.177 6.210 -12.337 419 1HD2 LEU 57 1HD2 LEU 57 12.005 5.035 -9.605 420 2HD2 LEU 57 2HD2 LEU 57 12.615 3.502 -10.273 421 3HD2 LEU 57 3HD2 LEU 57 13.484 5.022 -10.596 422 H SER 58 H SER 58 11.251 3.057 -14.921 423 HA SER 58 HA SER 58 11.852 5.454 -16.127 424 1HB SER 58 1HB SER 58 12.768 3.313 -16.864 425 2HB SER 58 2HB SER 58 11.167 2.801 -17.451 426 HG SER 58 HG SER 58 12.130 5.240 -18.372 427 H ASP 59 H ASP 59 8.858 3.519 -16.503 428 HA ASP 59 HA ASP 59 7.705 5.758 -18.086 429 1HB ASP 59 1HB ASP 59 7.623 3.594 -19.194 430 2HB ASP 59 2HB ASP 59 6.882 2.849 -17.760 431 HA PRO 60 HA PRO 60 5.275 6.865 -14.579 432 1HB PRO 60 1HB PRO 60 3.403 8.418 -15.807 433 2HB PRO 60 2HB PRO 60 5.128 8.903 -15.726 434 1HG PRO 60 1HG PRO 60 3.723 7.483 -18.007 435 2HG PRO 60 2HG PRO 60 4.720 8.972 -18.101 436 1HD PRO 60 1HD PRO 60 5.779 6.516 -18.628 437 2HD PRO 60 2HD PRO 60 6.722 7.734 -17.717 438 H ARG 61 H ARG 61 4.876 4.224 -15.366 439 HA ARG 61 HA ARG 61 2.126 3.759 -16.136 440 1HB ARG 61 1HB ARG 61 4.550 2.240 -15.726 441 2HB ARG 61 2HB ARG 61 3.209 1.477 -14.839 442 1HG ARG 61 1HG ARG 61 1.815 1.618 -16.920 443 2HG ARG 61 2HG ARG 61 3.236 2.249 -17.788 444 1HD ARG 61 1HD ARG 61 4.317 0.040 -16.607 445 2HD ARG 61 2HD ARG 61 2.643 -0.510 -16.838 446 HE ARG 61 HE ARG 61 4.629 0.068 -18.920 447 1HH1 ARG 61 1HH1 ARG 61 2.337 -0.939 -21.405 448 2HH1 ARG 61 2HH1 ARG 61 4.002 -0.525 -21.064 449 1HH2 ARG 61 1HH2 ARG 61 0.758 -0.894 -19.705 450 2HH2 ARG 61 2HH2 ARG 61 1.233 -0.445 -18.082 451 H LEU 62 H LEU 62 1.154 5.235 -14.507 452 HA LEU 62 HA LEU 62 1.314 4.480 -11.709 453 1HB LEU 62 1HB LEU 62 0.345 6.678 -13.282 454 2HB LEU 62 2HB LEU 62 -0.985 6.088 -12.257 455 HG LEU 62 HG LEU 62 0.521 7.839 -11.178 456 1HD1 LEU 62 1HD1 LEU 62 0.920 5.468 -9.468 457 2HD1 LEU 62 2HD1 LEU 62 -0.048 6.933 -9.176 458 3HD1 LEU 62 3HD1 LEU 62 -0.728 5.593 -10.130 459 1HD2 LEU 62 1HD2 LEU 62 2.752 7.437 -10.802 460 2HD2 LEU 62 2HD2 LEU 62 2.516 5.681 -10.634 461 3HD2 LEU 62 3HD2 LEU 62 2.566 6.421 -12.252 462 H GLU 63 H GLU 63 -0.025 3.164 -10.562 463 HA GLU 63 HA GLU 63 -2.463 2.159 -11.931 464 1HB GLU 63 1HB GLU 63 -0.334 0.485 -10.543 465 2HB GLU 63 2HB GLU 63 -1.908 -0.124 -11.106 466 1HG GLU 63 1HG GLU 63 0.362 1.016 -12.775 467 2HG GLU 63 2HG GLU 63 -0.322 -0.623 -12.837 468 H THR 64 H THR 64 -4.221 1.924 -10.607 469 HA THR 64 HA THR 64 -3.758 2.557 -7.731 470 HB THR 64 HB THR 64 -6.251 3.270 -7.916 471 HG1 THR 64 1HG THR 64 -6.912 3.756 -9.961 472 1HG2 THR 64 1HG2 THR 64 -4.956 5.275 -9.521 473 2HG2 THR 64 2HG2 THR 64 -5.270 5.293 -7.769 474 3HG2 THR 64 3HG2 THR 64 -3.757 4.596 -8.395 475 H ILE 65 H ILE 65 -4.710 1.274 -6.174 476 HA ILE 65 HA ILE 65 -6.398 -0.977 -7.113 477 HB ILE 65 HB ILE 65 -3.923 -1.618 -6.915 478 1HG1 ILE 65 1HG1 ILE 65 -5.987 -2.982 -5.132 479 2HG1 ILE 65 2HG1 ILE 65 -5.746 -3.272 -6.872 480 1HG2 ILE 65 1HG2 ILE 65 -4.459 -1.617 -3.940 481 2HG2 ILE 65 2HG2 ILE 65 -2.904 -1.705 -4.801 482 3HG2 ILE 65 3HG2 ILE 65 -3.795 -0.166 -4.728 483 1HD1 ILE 65 1HD1 ILE 65 -3.613 -4.257 -6.526 484 2HD1 ILE 65 2HD1 ILE 65 -3.483 -3.598 -4.878 485 3HD1 ILE 65 3HD1 ILE 65 -4.622 -4.923 -5.220 486 H THR 66 H THR 66 -8.170 -1.192 -5.870 487 HA THR 66 HA THR 66 -8.181 0.250 -3.271 488 HB THR 66 HB THR 66 -10.401 -0.648 -5.145 489 HG1 THR 66 1HG THR 66 -10.579 1.480 -5.525 490 1HG2 THR 66 1HG2 THR 66 -11.407 1.069 -3.143 491 2HG2 THR 66 2HG2 THR 66 -11.738 -0.670 -3.326 492 3HG2 THR 66 3HG2 THR 66 -10.408 -0.124 -2.278 493 H LEU 67 H LEU 67 -8.143 -0.895 -1.435 494 HA LEU 67 HA LEU 67 -8.546 -3.821 -1.617 495 1HB LEU 67 1HB LEU 67 -7.505 -2.141 0.695 496 2HB LEU 67 2HB LEU 67 -7.397 -3.908 0.510 497 HG LEU 67 HG LEU 67 -6.289 -2.245 -1.717 498 1HD1 LEU 67 1HD1 LEU 67 -4.362 -1.544 -0.591 499 2HD1 LEU 67 2HD1 LEU 67 -5.615 -1.274 0.644 500 3HD1 LEU 67 3HD1 LEU 67 -4.581 -2.721 0.726 501 1HD2 LEU 67 1HD2 LEU 67 -6.204 -4.944 -0.749 502 2HD2 LEU 67 2HD2 LEU 67 -5.449 -4.275 -2.216 503 3HD2 LEU 67 3HD2 LEU 67 -4.552 -4.285 -0.678 504 H GLN 68 H GLN 68 -10.369 -4.763 -0.913 505 HA GLN 68 HA GLN 68 -12.421 -3.089 0.334 506 1HB GLN 68 1HB GLN 68 -12.382 -6.012 -0.516 507 2HB GLN 68 2HB GLN 68 -13.814 -5.132 0.070 508 1HG GLN 68 1HG GLN 68 -12.164 -4.119 -2.262 509 2HG GLN 68 2HG GLN 68 -13.475 -5.296 -2.491 510 1HE2 GLN 68 1HE2 GLN 68 -12.681 -2.016 -1.322 511 2HE2 GLN 68 2HE2 GLN 68 -14.295 -1.361 -1.496 512 H LYS 69 H LYS 69 -13.765 -4.485 2.093 513 HA LYS 69 HA LYS 69 -12.238 -4.411 4.453 514 1HB LYS 69 1HB LYS 69 -14.707 -6.123 4.028 515 2HB LYS 69 2HB LYS 69 -14.169 -5.314 5.520 516 1HG LYS 69 1HG LYS 69 -15.535 -3.610 4.916 517 2HG LYS 69 2HG LYS 69 -14.323 -3.231 3.670 518 1HD LYS 69 1HD LYS 69 -15.798 -5.348 2.572 519 2HD LYS 69 2HD LYS 69 -17.021 -4.330 3.370 520 1HE LYS 69 1HE LYS 69 -16.442 -2.427 2.100 521 2HE LYS 69 2HE LYS 69 -14.864 -3.102 1.639 522 1HZ LYS 69 1HZ LYS 69 -16.546 -4.880 0.635 523 2HZ LYS 69 2HZ LYS 69 -17.436 -3.502 0.464 524 3HZ LYS 69 3HZ LYS 69 -15.934 -3.602 -0.209 525 H TRP 70 H TRP 70 -10.830 -5.787 5.381 526 HA TRP 70 HA TRP 70 -9.536 -7.648 5.697 527 1HB TRP 70 1HB TRP 70 -11.970 -9.174 4.735 528 2HB TRP 70 2HB TRP 70 -10.663 -9.777 5.763 529 HD1 TRP 70 HD TRP 70 -14.062 -8.505 5.956 530 HE1 TRP 70 1HE TRP 70 -14.725 -7.842 8.324 531 HE3 TRP 70 3HE TRP 70 -9.418 -8.444 8.109 532 HZ2 TRP 70 2HZ TRP 70 -13.409 -7.343 10.853 533 HZ3 TRP 70 3HZ TRP 70 -9.164 -7.872 10.495 534 HH2 TRP 70 HH TRP 70 -11.144 -7.320 11.878 535 H GLY 71 H GLY 71 -9.667 -6.300 3.022 536 1HA GLY 71 1HA GLY 71 -9.221 -8.518 1.139 537 2HA GLY 71 2HA GLY 71 -9.218 -6.778 0.769 538 H SER 72 H SER 72 -7.228 -8.755 -0.050 539 HA SER 72 HA SER 72 -4.863 -7.455 1.179 540 1HB SER 72 1HB SER 72 -4.620 -10.353 0.530 541 2HB SER 72 2HB SER 72 -3.882 -9.409 1.846 542 HG SER 72 HG SER 72 -6.489 -10.481 1.666 543 H TRP 73 H TRP 73 -2.926 -7.630 -0.192 544 HA TRP 73 HA TRP 73 -3.654 -8.066 -3.051 545 1HB TRP 73 1HB TRP 73 -3.396 -5.669 -2.371 546 2HB TRP 73 2HB TRP 73 -1.726 -6.023 -1.909 547 HD1 TRP 73 HD TRP 73 -3.212 -7.499 -5.090 548 HE1 TRP 73 1HE TRP 73 -2.057 -6.513 -7.135 549 HE3 TRP 73 3HE TRP 73 -0.416 -3.890 -2.776 550 HZ2 TRP 73 2HZ TRP 73 -0.150 -4.413 -7.708 551 HZ3 TRP 73 3HZ TRP 73 1.055 -2.418 -4.102 552 HH2 TRP 73 HH TRP 73 1.199 -2.666 -6.563 553 H ASN 74 H ASN 74 -2.227 -9.225 -4.295 554 HA ASN 74 HA ASN 74 0.395 -9.926 -3.125 555 1HB ASN 74 1HB ASN 74 -1.112 -11.691 -2.355 556 2HB ASN 74 2HB ASN 74 -1.707 -11.937 -4.011 557 1HD2 ASN 74 1HD2 ASN 74 -0.943 -13.841 -4.751 558 2HD2 ASN 74 2HD2 ASN 74 0.713 -14.391 -4.609 559 HA PRO 75 HA PRO 75 0.465 -8.973 -7.654 560 1HB PRO 75 1HB PRO 75 2.508 -7.173 -7.573 561 2HB PRO 75 2HB PRO 75 0.833 -6.722 -7.117 562 1HG PRO 75 1HG PRO 75 3.079 -7.563 -5.263 563 2HG PRO 75 2HG PRO 75 2.055 -6.095 -5.136 564 1HD PRO 75 1HD PRO 75 1.475 -8.358 -3.733 565 2HD PRO 75 2HD PRO 75 0.165 -7.390 -4.476 566 H GLY 76 H GLY 76 3.723 -8.377 -6.430 567 1HA GLY 76 1HA GLY 76 4.934 -10.793 -6.228 568 2HA GLY 76 2HA GLY 76 4.723 -10.639 -7.987 569 H HIS 77 H HIS 77 5.792 -8.634 -5.178 570 HA HIS 77 HA HIS 77 7.623 -7.283 -4.918 571 1HB HIS 77 1HB HIS 77 9.100 -8.995 -5.514 572 2HB HIS 77 2HB HIS 77 8.513 -9.056 -7.186 573 HD1 HIS 77 1HD HIS 77 9.339 -5.598 -5.917 574 HD2 HIS 77 2HD HIS 77 11.165 -8.813 -7.951 575 HE1 HIS 77 1HE HIS 77 11.491 -4.671 -6.974 576 HE2 HIS 77 2HE HIS 77 12.590 -6.633 -8.206 577 H ILE 78 H ILE 78 6.501 -5.359 -5.307 578 HA ILE 78 HA ILE 78 6.275 -4.415 -8.087 579 HB ILE 78 HB ILE 78 5.435 -3.140 -5.453 580 1HG1 ILE 78 1HG1 ILE 78 4.416 -5.434 -6.549 581 2HG1 ILE 78 2HG1 ILE 78 3.456 -4.272 -5.601 582 1HG2 ILE 78 1HG2 ILE 78 4.695 -2.527 -8.347 583 2HG2 ILE 78 2HG2 ILE 78 4.046 -1.708 -6.907 584 3HG2 ILE 78 3HG2 ILE 78 5.768 -1.541 -7.325 585 1HD1 ILE 78 1HD1 ILE 78 3.809 -4.146 -8.625 586 2HD1 ILE 78 2HD1 ILE 78 2.406 -4.875 -7.808 587 3HD1 ILE 78 3HD1 ILE 78 2.734 -3.134 -7.631 588 H HIS 79 H HIS 79 7.098 -2.290 -8.706 589 HA HIS 79 HA HIS 79 9.834 -1.963 -8.168 590 1HB HIS 79 1HB HIS 79 9.042 -0.996 -10.141 591 2HB HIS 79 2HB HIS 79 7.671 -0.218 -9.328 592 HD1 HIS 79 1HD HIS 79 11.454 0.119 -8.493 593 HD2 HIS 79 2HD HIS 79 8.060 2.334 -9.667 594 HE1 HIS 79 1HE HIS 79 12.155 2.592 -8.496 595 HE2 HIS 79 2HE HIS 79 10.086 3.926 -9.210 596 H GLU 80 H GLU 80 7.431 0.573 -7.328 597 HA GLU 80 HA GLU 80 8.241 0.582 -4.536 598 1HB GLU 80 1HB GLU 80 10.147 1.740 -5.689 599 2HB GLU 80 2HB GLU 80 8.991 2.955 -6.285 600 1HG GLU 80 1HG GLU 80 8.400 2.800 -3.573 601 2HG GLU 80 2HG GLU 80 10.168 2.626 -3.606 602 H ILE 81 H ILE 81 6.887 1.913 -3.251 603 HA ILE 81 HA ILE 81 4.301 2.443 -4.491 604 HB ILE 81 HB ILE 81 5.367 2.749 -1.658 605 1HG1 ILE 81 1HG1 ILE 81 5.128 0.426 -2.621 606 2HG1 ILE 81 2HG1 ILE 81 4.073 0.740 -1.222 607 1HG2 ILE 81 1HG2 ILE 81 2.500 2.948 -2.672 608 2HG2 ILE 81 2HG2 ILE 81 3.059 3.148 -0.994 609 3HG2 ILE 81 3HG2 ILE 81 3.506 4.349 -2.229 610 1HD1 ILE 81 1HD1 ILE 81 2.746 1.555 -3.670 611 2HD1 ILE 81 2HD1 ILE 81 3.293 -0.133 -3.806 612 3HD1 ILE 81 3HD1 ILE 81 2.231 0.354 -2.463 613 H LEU 82 H LEU 82 3.387 4.418 -4.916 614 HA LEU 82 HA LEU 82 5.243 6.704 -4.921 615 1HB LEU 82 1HB LEU 82 2.409 6.515 -6.006 616 2HB LEU 82 2HB LEU 82 3.650 7.726 -6.412 617 HG LEU 82 HG LEU 82 3.389 4.876 -7.298 618 1HD1 LEU 82 1HD1 LEU 82 4.356 7.515 -8.455 619 2HD1 LEU 82 2HD1 LEU 82 4.545 5.969 -9.315 620 3HD1 LEU 82 3HD1 LEU 82 2.918 6.573 -8.918 621 1HD2 LEU 82 1HD2 LEU 82 5.981 6.245 -6.537 622 2HD2 LEU 82 2HD2 LEU 82 5.456 4.579 -6.197 623 3HD2 LEU 82 3HD2 LEU 82 5.935 5.042 -7.848 624 H SER 83 H SER 83 1.769 6.209 -4.054 625 HA SER 83 HA SER 83 2.229 7.748 -1.579 626 1HB SER 83 1HB SER 83 1.537 9.271 -3.569 627 2HB SER 83 2HB SER 83 -0.058 8.498 -3.410 628 HG SER 83 HG SER 83 -0.394 9.666 -1.718 629 H ILE 84 H ILE 84 0.118 7.761 -0.250 630 HA ILE 84 HA ILE 84 -1.414 5.260 -0.752 631 HB ILE 84 HB ILE 84 0.068 6.148 1.728 632 1HG1 ILE 84 1HG1 ILE 84 -0.332 3.386 0.523 633 2HG1 ILE 84 2HG1 ILE 84 0.964 4.482 -0.012 634 1HG2 ILE 84 1HG2 ILE 84 -2.390 4.362 1.536 635 2HG2 ILE 84 2HG2 ILE 84 -1.280 4.361 2.926 636 3HG2 ILE 84 3HG2 ILE 84 -2.194 5.832 2.519 637 1HD1 ILE 84 1HD1 ILE 84 1.372 4.665 2.637 638 2HD1 ILE 84 2HD1 ILE 84 0.620 3.052 2.603 639 3HD1 ILE 84 3HD1 ILE 84 2.099 3.364 1.663 640 H ARG 85 H ARG 85 -3.573 5.531 -0.627 641 HA ARG 85 HA ARG 85 -4.557 8.004 0.720 642 1HB ARG 85 1HB ARG 85 -4.632 8.026 -1.819 643 2HB ARG 85 2HB ARG 85 -5.781 6.671 -1.721 644 1HG ARG 85 1HG ARG 85 -7.002 8.287 0.015 645 2HG ARG 85 2HG ARG 85 -6.130 9.543 -0.896 646 1HD ARG 85 1HD ARG 85 -7.498 7.441 -2.512 647 2HD ARG 85 2HD ARG 85 -8.555 8.572 -1.641 648 HE ARG 85 HE ARG 85 -6.579 10.115 -2.919 649 1HH1 ARG 85 1HH1 ARG 85 -8.298 10.523 -5.971 650 2HH1 ARG 85 2HH1 ARG 85 -7.021 11.134 -4.945 651 1HH2 ARG 85 1HH2 ARG 85 -9.550 8.689 -5.299 652 2HH2 ARG 85 2HH2 ARG 85 -9.216 7.917 -3.765 653 H ILE 86 H ILE 86 -6.066 7.693 2.261 654 HA ILE 86 HA ILE 86 -7.289 4.978 2.426 655 HB ILE 86 HB ILE 86 -6.781 6.923 4.705 656 1HG1 ILE 86 1HG1 ILE 86 -5.144 4.493 3.866 657 2HG1 ILE 86 2HG1 ILE 86 -4.657 6.183 3.594 658 1HG2 ILE 86 1HG2 ILE 86 -8.028 5.441 5.857 659 2HG2 ILE 86 2HG2 ILE 86 -8.238 4.451 4.393 660 3HG2 ILE 86 3HG2 ILE 86 -6.844 4.171 5.464 661 1HD1 ILE 86 1HD1 ILE 86 -4.513 6.624 5.939 662 2HD1 ILE 86 2HD1 ILE 86 -5.374 5.121 6.348 663 3HD1 ILE 86 3HD1 ILE 86 -3.718 5.049 5.701 664 H TYR 87 H TYR 87 -9.485 4.832 2.539 665 HA TYR 87 HA TYR 87 -10.989 7.295 2.046 666 1HB TYR 87 1HB TYR 87 -11.588 4.338 2.043 667 2HB TYR 87 2HB TYR 87 -12.901 5.528 2.012 668 HD1 TYR 87 1HD TYR 87 -13.434 6.743 0.028 669 HD2 TYR 87 2HD TYR 87 -9.926 4.268 0.176 670 HE1 TYR 87 1HE TYR 87 -13.172 6.967 -2.428 671 HE2 TYR 87 2HE TYR 87 -9.664 4.492 -2.280 672 HH TYR 87 HH TYR 87 -11.940 6.409 -4.265 Start of MODEL 24 1 H MET 1 H MET 1 -4.055 13.984 10.210 2 HA MET 1 HA MET 1 -2.717 13.149 8.027 3 1HB MET 1 1HB MET 1 -2.054 14.502 10.380 4 2HB MET 1 2HB MET 1 -0.883 13.163 10.306 5 1HG MET 1 1HG MET 1 -0.152 13.799 8.124 6 2HG MET 1 2HG MET 1 -1.508 14.921 7.918 7 1HE MET 1 1HE MET 1 -1.271 17.321 8.066 8 2HE MET 1 2HE MET 1 -1.825 17.020 9.730 9 3HE MET 1 3HE MET 1 -0.489 18.157 9.429 10 H ILE 2 H ILE 2 -1.962 11.301 7.180 11 HA ILE 2 HA ILE 2 -2.293 8.810 8.545 12 HB ILE 2 HB ILE 2 -2.445 8.900 6.142 13 1HG1 ILE 2 1HG1 ILE 2 0.201 7.574 6.865 14 2HG1 ILE 2 2HG1 ILE 2 -1.398 6.867 7.199 15 1HG2 ILE 2 1HG2 ILE 2 -1.156 10.757 5.488 16 2HG2 ILE 2 2HG2 ILE 2 0.270 10.209 6.401 17 3HG2 ILE 2 3HG2 ILE 2 -0.192 9.384 4.893 18 1HD1 ILE 2 1HD1 ILE 2 -0.711 5.915 5.121 19 2HD1 ILE 2 2HD1 ILE 2 -1.884 7.183 4.691 20 3HD1 ILE 2 3HD1 ILE 2 -0.139 7.483 4.504 21 H ASN 3 H ASN 3 -0.828 7.477 9.571 22 HA ASN 3 HA ASN 3 1.976 8.415 9.760 23 1HB ASN 3 1HB ASN 3 0.054 7.943 12.057 24 2HB ASN 3 2HB ASN 3 1.818 7.895 12.262 25 1HD2 ASN 3 1HD2 ASN 3 0.904 9.738 13.800 26 2HD2 ASN 3 2HD2 ASN 3 0.984 11.350 13.122 27 H ARG 4 H ARG 4 3.455 6.769 9.879 28 HA ARG 4 HA ARG 4 2.500 4.113 9.240 29 1HB ARG 4 1HB ARG 4 5.016 3.614 9.440 30 2HB ARG 4 2HB ARG 4 4.525 4.793 8.200 31 1HG ARG 4 1HG ARG 4 5.292 6.626 9.454 32 2HG ARG 4 2HG ARG 4 5.239 5.724 10.988 33 1HD ARG 4 1HD ARG 4 7.081 4.246 10.081 34 2HD ARG 4 2HD ARG 4 7.206 5.351 8.695 35 HE ARG 4 HE ARG 4 8.087 5.847 11.451 36 1HH1 ARG 4 1HH1 ARG 4 9.375 8.986 10.487 37 2HH1 ARG 4 2HH1 ARG 4 9.316 7.780 11.753 38 1HH2 ARG 4 1HH2 ARG 4 8.218 8.645 8.505 39 2HH2 ARG 4 2HH2 ARG 4 7.286 7.181 8.276 40 H THR 5 H THR 5 1.577 2.877 10.779 41 HA THR 5 HA THR 5 2.710 3.005 13.523 42 HB THR 5 HB THR 5 0.333 3.447 13.425 43 HG1 THR 5 1HG THR 5 0.122 2.191 15.073 44 1HG2 THR 5 1HG2 THR 5 0.311 0.937 11.717 45 2HG2 THR 5 2HG2 THR 5 -1.159 1.537 12.522 46 3HG2 THR 5 3HG2 THR 5 -0.325 2.552 11.321 47 H ASP 6 H ASP 6 3.173 1.044 14.658 48 HA ASP 6 HA ASP 6 4.166 -1.058 12.858 49 1HB ASP 6 1HB ASP 6 5.219 0.106 15.072 50 2HB ASP 6 2HB ASP 6 4.421 -1.298 15.814 51 H CYS 7 H CYS 7 1.294 -0.761 13.050 52 HA CYS 7 HA CYS 7 -0.575 -2.045 13.349 53 1HB CYS 7 1HB CYS 7 0.831 -4.538 14.000 54 2HB CYS 7 2HB CYS 7 -0.294 -4.175 12.681 55 H ASN 8 H ASN 8 -1.520 -1.306 15.204 56 HA ASN 8 HA ASN 8 -0.462 -2.281 17.791 57 1HB ASN 8 1HB ASN 8 -2.229 -0.630 18.656 58 2HB ASN 8 2HB ASN 8 -0.828 0.056 17.806 59 1HD2 ASN 8 1HD2 ASN 8 -1.091 0.568 15.470 60 2HD2 ASN 8 2HD2 ASN 8 -2.664 1.088 14.902 61 H GLU 9 H GLU 9 -1.781 -4.119 15.930 62 HA GLU 9 HA GLU 9 -3.303 -5.658 17.590 63 1HB GLU 9 1HB GLU 9 -4.820 -3.291 16.671 64 2HB GLU 9 2HB GLU 9 -5.649 -4.845 16.416 65 1HG GLU 9 1HG GLU 9 -5.806 -5.290 18.669 66 2HG GLU 9 2HG GLU 9 -4.291 -4.443 19.050 67 H ASN 10 H ASN 10 -4.970 -4.619 14.657 68 HA ASN 10 HA ASN 10 -3.764 -5.814 12.576 69 1HB ASN 10 1HB ASN 10 -4.505 -7.868 14.567 70 2HB ASN 10 2HB ASN 10 -5.062 -8.215 12.916 71 1HD2 ASN 10 1HD2 ASN 10 -3.234 -9.933 13.940 72 2HD2 ASN 10 2HD2 ASN 10 -1.656 -9.674 13.228 73 H SER 11 H SER 11 -5.240 -4.138 11.855 74 HA SER 11 HA SER 11 -7.579 -5.192 10.636 75 1HB SER 11 1HB SER 11 -9.325 -4.076 11.898 76 2HB SER 11 2HB SER 11 -8.393 -5.108 13.010 77 HG SER 11 HG SER 11 -7.113 -3.090 13.352 78 H TYR 12 H TYR 12 -5.343 -3.795 9.742 79 HA TYR 12 HA TYR 12 -6.654 -1.393 8.659 80 1HB TYR 12 1HB TYR 12 -3.850 -1.071 9.662 81 2HB TYR 12 2HB TYR 12 -5.111 0.148 9.411 82 HD1 TYR 12 1HD TYR 12 -7.073 0.219 11.042 83 HD2 TYR 12 2HD TYR 12 -3.478 -2.011 11.790 84 HE1 TYR 12 1HE TYR 12 -7.614 0.158 13.462 85 HE2 TYR 12 2HE TYR 12 -4.020 -2.072 14.209 86 HH TYR 12 HH TYR 12 -5.370 -1.037 15.881 87 H LEU 13 H LEU 13 -4.530 -0.314 7.283 88 HA LEU 13 HA LEU 13 -4.087 -2.390 5.267 89 1HB LEU 13 1HB LEU 13 -4.669 -0.350 4.294 90 2HB LEU 13 2HB LEU 13 -3.709 0.596 5.457 91 HG LEU 13 HG LEU 13 -1.677 -0.726 4.399 92 1HD1 LEU 13 1HD1 LEU 13 -3.970 -1.203 2.529 93 2HD1 LEU 13 2HD1 LEU 13 -2.393 -0.808 1.803 94 3HD1 LEU 13 3HD1 LEU 13 -2.551 -2.221 2.874 95 1HD2 LEU 13 1HD2 LEU 13 -2.436 1.165 2.348 96 2HD2 LEU 13 2HD2 LEU 13 -2.933 1.791 3.939 97 3HD2 LEU 13 3HD2 LEU 13 -1.233 1.351 3.647 98 H GLU 14 H GLU 14 -2.277 -3.573 5.061 99 HA GLU 14 HA GLU 14 0.229 -2.511 6.247 100 1HB GLU 14 1HB GLU 14 -0.580 -5.410 6.560 101 2HB GLU 14 2HB GLU 14 0.671 -4.498 7.437 102 1HG GLU 14 1HG GLU 14 -0.993 -3.201 8.611 103 2HG GLU 14 2HG GLU 14 -2.297 -3.854 7.595 104 H ILE 15 H ILE 15 1.678 -2.401 4.648 105 HA ILE 15 HA ILE 15 1.458 -4.370 2.428 106 HB ILE 15 HB ILE 15 3.040 -1.783 2.437 107 1HG1 ILE 15 1HG1 ILE 15 0.263 -2.061 1.272 108 2HG1 ILE 15 2HG1 ILE 15 0.477 -1.609 2.981 109 1HG2 ILE 15 1HG2 ILE 15 2.156 -3.856 0.454 110 2HG2 ILE 15 2HG2 ILE 15 2.225 -2.163 -0.091 111 3HG2 ILE 15 3HG2 ILE 15 3.687 -2.952 0.548 112 1HD1 ILE 15 1HD1 ILE 15 2.211 -0.139 1.070 113 2HD1 ILE 15 2HD1 ILE 15 0.469 0.181 0.902 114 3HD1 ILE 15 3HD1 ILE 15 1.279 0.463 2.461 115 H HIS 16 H HIS 16 2.912 -5.972 2.377 116 HA HIS 16 HA HIS 16 5.496 -5.531 3.800 117 1HB HIS 16 1HB HIS 16 5.505 -7.959 4.189 118 2HB HIS 16 2HB HIS 16 4.077 -7.189 4.906 119 HD1 HIS 16 1HD HIS 16 5.031 -9.879 2.469 120 HD2 HIS 16 2HD HIS 16 1.692 -7.504 3.474 121 HE1 HIS 16 1HE HIS 16 2.981 -11.007 1.405 122 HE2 HIS 16 2HE HIS 16 0.960 -9.555 2.022 123 H ASN 17 H ASN 17 6.903 -4.971 2.202 124 HA ASN 17 HA ASN 17 6.811 -6.517 -0.328 125 1HB ASN 17 1HB ASN 17 8.426 -4.719 -1.079 126 2HB ASN 17 2HB ASN 17 6.796 -4.145 -0.663 127 1HD2 ASN 17 1HD2 ASN 17 8.627 -2.210 -0.681 128 2HD2 ASN 17 2HD2 ASN 17 9.126 -1.760 0.935 129 H ASN 18 H ASN 18 9.368 -6.408 -1.205 130 HA ASN 18 HA ASN 18 11.396 -7.456 -1.044 131 1HB ASN 18 1HB ASN 18 10.958 -6.542 1.801 132 2HB ASN 18 2HB ASN 18 12.384 -7.506 1.364 133 1HD2 ASN 18 1HD2 ASN 18 11.574 -4.457 2.003 134 2HD2 ASN 18 2HD2 ASN 18 12.573 -3.583 0.862 135 H GLU 19 H GLU 19 8.879 -8.973 -0.902 136 HA GLU 19 HA GLU 19 8.305 -11.183 -0.699 137 1HB GLU 19 1HB GLU 19 11.184 -11.463 0.245 138 2HB GLU 19 2HB GLU 19 10.087 -12.825 -0.087 139 1HG GLU 19 1HG GLU 19 9.798 -11.999 -2.414 140 2HG GLU 19 2HG GLU 19 10.936 -10.677 -2.074 141 H GLY 20 H GLY 20 8.835 -9.057 1.719 142 1HA GLY 20 1HA GLY 20 7.373 -9.275 3.671 143 2HA GLY 20 2HA GLY 20 7.858 -10.982 3.780 144 H ARG 21 H ARG 21 9.956 -8.162 3.105 145 HA ARG 21 HA ARG 21 11.594 -8.935 5.446 146 1HB ARG 21 1HB ARG 21 12.524 -8.625 3.066 147 2HB ARG 21 2HB ARG 21 12.261 -6.883 3.317 148 1HG ARG 21 1HG ARG 21 13.650 -8.346 5.519 149 2HG ARG 21 2HG ARG 21 14.564 -8.143 4.006 150 1HD ARG 21 1HD ARG 21 14.161 -5.721 4.061 151 2HD ARG 21 2HD ARG 21 13.178 -5.899 5.530 152 HE ARG 21 HE ARG 21 15.120 -5.942 6.767 153 1HH1 ARG 21 1HH1 ARG 21 18.457 -6.444 5.743 154 2HH1 ARG 21 2HH1 ARG 21 17.407 -6.038 7.081 155 1HH2 ARG 21 1HH2 ARG 21 17.554 -6.886 3.651 156 2HH2 ARG 21 2HH2 ARG 21 15.822 -6.814 3.414 157 H ASP 22 H ASP 22 9.711 -6.248 4.056 158 HA ASP 22 HA ASP 22 9.877 -4.911 6.707 159 1HB ASP 22 1HB ASP 22 10.309 -3.727 3.952 160 2HB ASP 22 2HB ASP 22 9.821 -2.732 5.340 161 H THR 23 H THR 23 7.962 -4.019 7.426 162 HA THR 23 HA THR 23 5.660 -4.130 5.546 163 HB THR 23 HB THR 23 5.633 -5.072 8.439 164 HG1 THR 23 1HG THR 23 5.807 -6.417 5.959 165 1HG2 THR 23 1HG2 THR 23 3.378 -5.891 7.824 166 2HG2 THR 23 2HG2 THR 23 3.500 -4.129 7.610 167 3HG2 THR 23 3HG2 THR 23 3.574 -5.205 6.194 168 H LEU 24 H LEU 24 4.051 -2.568 5.903 169 HA LEU 24 HA LEU 24 4.636 -0.572 8.027 170 1HB LEU 24 1HB LEU 24 3.778 0.244 5.245 171 2HB LEU 24 2HB LEU 24 4.523 1.233 6.523 172 HG LEU 24 HG LEU 24 6.248 -1.007 5.892 173 1HD1 LEU 24 1HD1 LEU 24 5.395 -1.127 3.686 174 2HD1 LEU 24 2HD1 LEU 24 5.169 0.635 3.584 175 3HD1 LEU 24 3HD1 LEU 24 6.808 -0.055 3.539 176 1HD2 LEU 24 1HD2 LEU 24 7.425 0.756 6.756 177 2HD2 LEU 24 2HD2 LEU 24 7.552 1.238 5.047 178 3HD2 LEU 24 3HD2 LEU 24 6.303 1.964 6.087 179 H CYS 25 H CYS 25 2.895 -0.501 9.310 180 HA CYS 25 HA CYS 25 0.255 -1.174 8.155 181 1HB CYS 25 1HB CYS 25 1.094 -0.753 11.040 182 2HB CYS 25 2HB CYS 25 -0.450 -1.408 10.469 183 H PHE 26 H PHE 26 -1.031 0.440 7.499 184 HA PHE 26 HA PHE 26 -0.614 3.122 8.721 185 1HB PHE 26 1HB PHE 26 -1.797 2.258 6.062 186 2HB PHE 26 2HB PHE 26 -1.788 3.927 6.658 187 HD1 PHE 26 1HD PHE 26 0.039 1.399 4.882 188 HD2 PHE 26 2HD PHE 26 0.494 4.997 7.183 189 HE1 PHE 26 1HE PHE 26 2.301 1.727 3.920 190 HE2 PHE 26 2HE PHE 26 2.756 5.325 6.222 191 HZ PHE 26 HZ PHE 26 3.660 3.691 4.590 192 H ALA 27 H ALA 27 -2.481 4.386 9.270 193 HA ALA 27 HA ALA 27 -5.036 2.899 9.426 194 1HB ALA 27 1HB ALA 27 -5.292 3.306 11.767 195 2HB ALA 27 2HB ALA 27 -3.669 2.603 11.562 196 3HB ALA 27 3HB ALA 27 -3.855 4.356 11.813 197 H ASN 28 H ASN 28 -6.759 4.511 10.406 198 HA ASN 28 HA ASN 28 -7.911 6.476 10.171 199 1HB ASN 28 1HB ASN 28 -5.058 7.452 10.062 200 2HB ASN 28 2HB ASN 28 -6.402 8.573 9.756 201 1HD2 ASN 28 1HD2 ASN 28 -7.106 9.653 11.503 202 2HD2 ASN 28 2HD2 ASN 28 -7.048 9.073 13.154 203 H ALA 29 H ALA 29 -8.924 7.637 8.515 204 HA ALA 29 HA ALA 29 -8.594 6.601 5.887 205 1HB ALA 29 1HB ALA 29 -10.065 9.003 7.020 206 2HB ALA 29 2HB ALA 29 -10.146 8.542 5.303 207 3HB ALA 29 3HB ALA 29 -10.739 7.423 6.554 208 H GLY 30 H GLY 30 -6.745 8.859 7.627 209 1HA GLY 30 1HA GLY 30 -6.057 10.930 6.024 210 2HA GLY 30 2HA GLY 30 -4.839 9.973 6.897 211 H THR 31 H THR 31 -4.497 11.313 4.326 212 HA THR 31 HA THR 31 -3.749 8.923 2.743 213 HB THR 31 HB THR 31 -5.323 11.327 1.753 214 HG1 THR 31 1HG THR 31 -6.837 9.921 2.047 215 1HG2 THR 31 1HG2 THR 31 -5.029 10.360 -0.500 216 2HG2 THR 31 2HG2 THR 31 -3.454 10.789 0.210 217 3HG2 THR 31 3HG2 THR 31 -3.982 9.089 0.175 218 H MET 32 H MET 32 -1.615 9.020 2.404 219 HA MET 32 HA MET 32 -0.417 11.642 1.737 220 1HB MET 32 1HB MET 32 1.310 11.446 3.366 221 2HB MET 32 2HB MET 32 -0.208 11.132 4.240 222 1HG MET 32 1HG MET 32 0.215 8.646 3.690 223 2HG MET 32 2HG MET 32 1.864 9.145 3.278 224 1HE MET 32 1HE MET 32 1.471 6.904 5.203 225 2HE MET 32 2HE MET 32 3.096 7.610 5.032 226 3HE MET 32 3HE MET 32 2.421 7.314 6.652 227 HA PRO 33 HA PRO 33 1.831 9.285 -1.201 228 1HB PRO 33 1HB PRO 33 4.168 10.668 -1.423 229 2HB PRO 33 2HB PRO 33 2.595 11.389 -1.895 230 1HG PRO 33 1HG PRO 33 4.041 11.703 0.751 231 2HG PRO 33 2HG PRO 33 3.408 13.008 -0.305 232 1HD PRO 33 1HD PRO 33 1.966 12.063 1.806 233 2HD PRO 33 2HD PRO 33 1.156 12.464 0.260 234 H VAL 34 H VAL 34 2.894 7.377 -1.068 235 HA VAL 34 HA VAL 34 4.953 7.080 1.061 236 HB VAL 34 HB VAL 34 4.087 4.903 1.620 237 1HG1 VAL 34 1HG1 VAL 34 2.769 7.264 2.148 238 2HG1 VAL 34 2HG1 VAL 34 1.463 6.270 1.459 239 3HG1 VAL 34 3HG1 VAL 34 2.363 5.694 2.882 240 1HG2 VAL 34 1HG2 VAL 34 2.878 3.669 0.167 241 2HG2 VAL 34 2HG2 VAL 34 1.632 4.936 0.052 242 3HG2 VAL 34 3HG2 VAL 34 3.059 4.992 -1.011 243 H ALA 35 H ALA 35 6.486 5.301 0.623 244 HA ALA 35 HA ALA 35 6.680 4.677 -2.282 245 1HB ALA 35 1HB ALA 35 9.212 4.890 -1.890 246 2HB ALA 35 2HB ALA 35 8.279 6.405 -1.959 247 3HB ALA 35 3HB ALA 35 8.792 5.747 -0.387 248 H ILE 36 H ILE 36 6.358 2.533 -2.426 249 HA ILE 36 HA ILE 36 7.870 0.804 -0.534 250 HB ILE 36 HB ILE 36 4.960 0.621 -1.372 251 1HG1 ILE 36 1HG1 ILE 36 5.434 0.002 1.360 252 2HG1 ILE 36 2HG1 ILE 36 6.430 1.430 0.991 253 1HG2 ILE 36 1HG2 ILE 36 5.185 -1.624 -1.434 254 2HG2 ILE 36 2HG2 ILE 36 6.896 -1.513 -0.958 255 3HG2 ILE 36 3HG2 ILE 36 5.628 -1.565 0.289 256 1HD1 ILE 36 1HD1 ILE 36 4.610 2.768 0.638 257 2HD1 ILE 36 2HD1 ILE 36 3.679 1.466 -0.141 258 3HD1 ILE 36 3HD1 ILE 36 3.776 1.552 1.635 259 H TYR 37 H TYR 37 9.381 -0.168 -1.757 260 HA TYR 37 HA TYR 37 8.673 -0.881 -4.551 261 1HB TYR 37 1HB TYR 37 11.381 -0.869 -3.184 262 2HB TYR 37 2HB TYR 37 11.057 -1.031 -4.919 263 HD1 TYR 37 1HD TYR 37 10.741 1.322 -2.034 264 HD2 TYR 37 2HD TYR 37 10.896 0.866 -6.302 265 HE1 TYR 37 1HE TYR 37 10.891 3.784 -2.292 266 HE2 TYR 37 2HE TYR 37 11.046 3.328 -6.560 267 HH TYR 37 HH TYR 37 11.373 5.511 -3.791 268 H GLY 38 H GLY 38 8.693 -2.988 -5.264 269 1HA GLY 38 1HA GLY 38 8.927 -5.290 -5.169 270 2HA GLY 38 2HA GLY 38 9.805 -5.122 -3.631 271 H VAL 39 H VAL 39 6.484 -4.419 -4.878 272 HA VAL 39 HA VAL 39 5.330 -5.115 -2.290 273 HB VAL 39 HB VAL 39 3.909 -4.565 -4.918 274 1HG1 VAL 39 1HG1 VAL 39 2.031 -4.606 -3.662 275 2HG1 VAL 39 2HG1 VAL 39 3.017 -5.306 -2.355 276 3HG1 VAL 39 3HG1 VAL 39 2.760 -3.546 -2.432 277 1HG2 VAL 39 1HG2 VAL 39 3.937 -2.260 -3.261 278 2HG2 VAL 39 2HG2 VAL 39 5.619 -2.838 -3.333 279 3HG2 VAL 39 3HG2 VAL 39 4.739 -2.470 -4.836 280 H ASN 40 H ASN 40 5.030 -7.175 -1.693 281 HA ASN 40 HA ASN 40 4.643 -9.207 -3.823 282 1HB ASN 40 1HB ASN 40 5.424 -9.413 -0.893 283 2HB ASN 40 2HB ASN 40 5.154 -10.808 -1.959 284 1HD2 ASN 40 1HD2 ASN 40 6.619 -11.242 -3.679 285 2HD2 ASN 40 2HD2 ASN 40 8.211 -10.514 -3.729 286 H TRP 41 H TRP 41 3.219 -7.830 -0.853 287 HA TRP 41 HA TRP 41 0.578 -8.660 -1.711 288 1HB TRP 41 1HB TRP 41 1.316 -10.762 -0.764 289 2HB TRP 41 2HB TRP 41 1.887 -9.950 0.700 290 HD1 TRP 41 HD TRP 41 -0.390 -8.384 1.782 291 HE1 TRP 41 1HE TRP 41 -2.628 -9.378 2.482 292 HE3 TRP 41 3HE TRP 41 -0.261 -12.691 -0.981 293 HZ2 TRP 41 2HZ TRP 41 -4.184 -11.752 1.918 294 HZ3 TRP 41 3HZ TRP 41 -2.136 -14.292 -0.873 295 HH2 TRP 41 HH TRP 41 -4.100 -13.839 0.567 296 H VAL 42 H VAL 42 -1.069 -7.575 -0.563 297 HA VAL 42 HA VAL 42 -0.103 -5.648 1.491 298 HB VAL 42 HB VAL 42 -1.863 -5.145 -0.933 299 1HG1 VAL 42 1HG1 VAL 42 -1.777 -2.742 0.239 300 2HG1 VAL 42 2HG1 VAL 42 -3.047 -3.922 0.639 301 3HG1 VAL 42 3HG1 VAL 42 -1.638 -3.734 1.710 302 1HG2 VAL 42 1HG2 VAL 42 -0.004 -4.189 -1.777 303 2HG2 VAL 42 2HG2 VAL 42 0.180 -3.182 -0.321 304 3HG2 VAL 42 3HG2 VAL 42 0.903 -4.807 -0.376 305 H GLU 43 H GLU 43 -1.536 -5.224 3.176 306 HA GLU 43 HA GLU 43 -3.851 -7.085 3.292 307 1HB GLU 43 1HB GLU 43 -2.067 -5.792 5.365 308 2HB GLU 43 2HB GLU 43 -3.663 -6.447 5.803 309 1HG GLU 43 1HG GLU 43 -3.016 -8.631 4.798 310 2HG GLU 43 2HG GLU 43 -1.406 -7.970 4.436 311 H SER 44 H SER 44 -5.833 -6.292 4.332 312 HA SER 44 HA SER 44 -6.203 -3.420 4.593 313 1HB SER 44 1HB SER 44 -7.254 -4.950 2.202 314 2HB SER 44 2HB SER 44 -8.091 -3.505 2.820 315 HG SER 44 HG SER 44 -6.637 -2.377 1.847 316 H GLY 45 H GLY 45 -6.817 -4.117 6.714 317 1HA GLY 45 1HA GLY 45 -8.611 -6.083 7.432 318 2HA GLY 45 2HA GLY 45 -8.476 -4.518 8.265 319 H ASN 46 H ASN 46 -10.852 -4.949 8.630 320 HA ASN 46 HA ASN 46 -12.680 -4.881 6.428 321 1HB ASN 46 1HB ASN 46 -13.283 -5.756 8.636 322 2HB ASN 46 2HB ASN 46 -13.026 -4.155 9.361 323 1HD2 ASN 46 1HD2 ASN 46 -15.228 -4.119 10.103 324 2HD2 ASN 46 2HD2 ASN 46 -16.542 -3.792 8.994 325 H ASN 47 H ASN 47 -11.023 -2.999 5.593 326 HA ASN 47 HA ASN 47 -12.664 -0.575 5.750 327 1HB ASN 47 1HB ASN 47 -11.008 0.865 6.571 328 2HB ASN 47 2HB ASN 47 -10.861 -0.562 7.620 329 1HD2 ASN 47 1HD2 ASN 47 -9.433 -2.375 6.250 330 2HD2 ASN 47 2HD2 ASN 47 -7.860 -1.752 5.800 331 H VAL 48 H VAL 48 -12.488 0.695 3.907 332 HA VAL 48 HA VAL 48 -11.083 -0.601 1.668 333 HB VAL 48 HB VAL 48 -12.899 1.838 1.666 334 1HG1 VAL 48 1HG1 VAL 48 -12.452 -0.174 -0.552 335 2HG1 VAL 48 2HG1 VAL 48 -13.044 1.501 -0.663 336 3HG1 VAL 48 3HG1 VAL 48 -11.326 1.184 -0.318 337 1HG2 VAL 48 1HG2 VAL 48 -14.374 0.255 2.489 338 2HG2 VAL 48 2HG2 VAL 48 -14.486 -0.121 0.752 339 3HG2 VAL 48 3HG2 VAL 48 -13.453 -1.110 1.812 340 H VAL 49 H VAL 49 -9.152 0.062 0.943 341 HA VAL 49 HA VAL 49 -8.363 2.883 1.427 342 HB VAL 49 HB VAL 49 -6.488 0.534 1.851 343 1HG1 VAL 49 1HG1 VAL 49 -5.593 2.840 1.295 344 2HG1 VAL 49 2HG1 VAL 49 -6.362 3.429 2.788 345 3HG1 VAL 49 3HG1 VAL 49 -5.070 2.208 2.874 346 1HG2 VAL 49 1HG2 VAL 49 -8.452 1.867 3.694 347 2HG2 VAL 49 2HG2 VAL 49 -7.904 0.174 3.652 348 3HG2 VAL 49 3HG2 VAL 49 -6.853 1.433 4.344 349 H THR 50 H THR 50 -7.356 3.823 -0.293 350 HA THR 50 HA THR 50 -7.084 2.148 -2.708 351 HB THR 50 HB THR 50 -7.365 5.079 -2.107 352 HG1 THR 50 1HG THR 50 -8.888 4.818 -3.772 353 1HG2 THR 50 1HG2 THR 50 -5.554 5.378 -3.526 354 2HG2 THR 50 2HG2 THR 50 -5.824 3.833 -4.368 355 3HG2 THR 50 3HG2 THR 50 -6.862 5.234 -4.725 356 H LEU 51 H LEU 51 -5.165 1.578 -3.584 357 HA LEU 51 HA LEU 51 -2.725 2.650 -2.255 358 1HB LEU 51 1HB LEU 51 -3.452 -0.009 -3.485 359 2HB LEU 51 2HB LEU 51 -1.748 0.493 -3.375 360 HG LEU 51 HG LEU 51 -3.720 -0.082 -1.167 361 1HD1 LEU 51 1HD1 LEU 51 -1.094 -0.720 -0.433 362 2HD1 LEU 51 2HD1 LEU 51 -2.311 -1.849 -1.076 363 3HD1 LEU 51 3HD1 LEU 51 -1.151 -1.069 -2.178 364 1HD2 LEU 51 1HD2 LEU 51 -1.390 1.868 -1.088 365 2HD2 LEU 51 2HD2 LEU 51 -3.074 2.150 -0.586 366 3HD2 LEU 51 3HD2 LEU 51 -2.027 1.076 0.373 367 H GLN 52 H GLN 52 -1.410 3.920 -3.422 368 HA GLN 52 HA GLN 52 -1.752 3.883 -6.384 369 1HB GLN 52 1HB GLN 52 -1.277 6.098 -4.390 370 2HB GLN 52 2HB GLN 52 -0.737 6.279 -6.076 371 1HG GLN 52 1HG GLN 52 -3.242 5.323 -6.496 372 2HG GLN 52 2HG GLN 52 -3.499 6.161 -4.950 373 1HE2 GLN 52 1HE2 GLN 52 -1.940 6.648 -8.169 374 2HE2 GLN 52 2HE2 GLN 52 -2.369 8.339 -8.312 375 H PHE 53 H PHE 53 -0.117 2.717 -7.234 376 HA PHE 53 HA PHE 53 2.629 3.398 -6.320 377 1HB PHE 53 1HB PHE 53 3.243 1.027 -6.516 378 2HB PHE 53 2HB PHE 53 2.006 1.283 -5.273 379 HD1 PHE 53 1HD PHE 53 -0.363 0.637 -5.718 380 HD2 PHE 53 2HD PHE 53 2.817 -0.324 -8.441 381 HE1 PHE 53 1HE PHE 53 -1.808 -1.059 -6.806 382 HE2 PHE 53 2HE PHE 53 1.372 -2.021 -9.529 383 HZ PHE 53 HZ PHE 53 -0.941 -2.388 -8.712 384 H GLN 54 H GLN 54 4.277 3.021 -7.953 385 HA GLN 54 HA GLN 54 3.143 3.312 -10.679 386 1HB GLN 54 1HB GLN 54 4.864 4.932 -9.425 387 2HB GLN 54 2HB GLN 54 6.041 3.755 -10.057 388 1HG GLN 54 1HG GLN 54 5.358 4.131 -12.312 389 2HG GLN 54 2HG GLN 54 3.889 4.992 -11.803 390 1HE2 GLN 54 1HE2 GLN 54 7.333 5.212 -12.408 391 2HE2 GLN 54 2HE2 GLN 54 7.488 6.937 -12.154 392 H ARG 55 H ARG 55 3.039 1.476 -11.826 393 HA ARG 55 HA ARG 55 4.257 -0.949 -11.192 394 1HB ARG 55 1HB ARG 55 2.397 -0.418 -12.888 395 2HB ARG 55 2HB ARG 55 3.708 -0.035 -14.030 396 1HG ARG 55 1HG ARG 55 4.479 -2.237 -14.094 397 2HG ARG 55 2HG ARG 55 3.805 -2.628 -12.494 398 1HD ARG 55 1HD ARG 55 1.981 -1.912 -14.796 399 2HD ARG 55 2HD ARG 55 2.622 -3.562 -14.637 400 HE ARG 55 HE ARG 55 1.630 -3.068 -12.140 401 1HH1 ARG 55 1HH1 ARG 55 -1.830 -3.465 -12.695 402 2HH1 ARG 55 2HH1 ARG 55 -0.553 -3.476 -11.501 403 1HH2 ARG 55 1HH2 ARG 55 -1.333 -3.041 -14.922 404 2HH2 ARG 55 2HH2 ARG 55 0.319 -2.732 -15.406 405 H ASN 56 H ASN 56 5.329 1.398 -13.725 406 HA ASN 56 HA ASN 56 8.044 0.195 -13.495 407 1HB ASN 56 1HB ASN 56 6.708 1.737 -15.750 408 2HB ASN 56 2HB ASN 56 8.395 1.177 -15.760 409 1HD2 ASN 56 1HD2 ASN 56 8.482 -0.458 -17.218 410 2HD2 ASN 56 2HD2 ASN 56 7.414 -1.845 -17.234 411 H LEU 57 H LEU 57 9.840 1.531 -13.221 412 HA LEU 57 HA LEU 57 9.242 4.103 -11.957 413 1HB LEU 57 1HB LEU 57 10.864 2.641 -10.897 414 2HB LEU 57 2HB LEU 57 11.812 2.538 -12.400 415 HG LEU 57 HG LEU 57 12.262 4.959 -12.301 416 1HD1 LEU 57 1HD1 LEU 57 10.997 6.345 -11.049 417 2HD1 LEU 57 2HD1 LEU 57 10.008 4.941 -10.580 418 3HD1 LEU 57 3HD1 LEU 57 11.390 5.432 -9.572 419 1HD2 LEU 57 1HD2 LEU 57 13.032 3.035 -10.202 420 2HD2 LEU 57 2HD2 LEU 57 14.047 4.134 -11.166 421 3HD2 LEU 57 3HD2 LEU 57 13.222 4.734 -9.707 422 H SER 58 H SER 58 11.311 2.921 -14.669 423 HA SER 58 HA SER 58 12.157 5.416 -15.605 424 1HB SER 58 1HB SER 58 12.684 2.916 -16.326 425 2HB SER 58 2HB SER 58 11.438 3.245 -17.553 426 HG SER 58 HG SER 58 13.443 3.861 -18.343 427 H ASP 59 H ASP 59 9.137 3.612 -16.270 428 HA ASP 59 HA ASP 59 8.168 5.940 -17.842 429 1HB ASP 59 1HB ASP 59 8.144 3.507 -18.723 430 2HB ASP 59 2HB ASP 59 6.816 3.247 -17.571 431 HA PRO 60 HA PRO 60 5.582 7.126 -14.483 432 1HB PRO 60 1HB PRO 60 3.769 8.670 -15.808 433 2HB PRO 60 2HB PRO 60 5.495 9.141 -15.675 434 1HG PRO 60 1HG PRO 60 4.158 7.688 -17.975 435 2HG PRO 60 2HG PRO 60 5.172 9.165 -18.064 436 1HD PRO 60 1HD PRO 60 6.225 6.690 -18.503 437 2HD PRO 60 2HD PRO 60 7.147 7.918 -17.584 438 H ARG 61 H ARG 61 5.189 4.468 -15.298 439 HA ARG 61 HA ARG 61 2.446 4.035 -16.111 440 1HB ARG 61 1HB ARG 61 4.840 2.440 -15.452 441 2HB ARG 61 2HB ARG 61 3.309 1.685 -14.949 442 1HG ARG 61 1HG ARG 61 2.695 2.671 -17.467 443 2HG ARG 61 2HG ARG 61 4.386 2.147 -17.659 444 1HD ARG 61 1HD ARG 61 3.416 0.109 -18.027 445 2HD ARG 61 2HD ARG 61 3.407 0.043 -16.251 446 HE ARG 61 HE ARG 61 1.093 0.319 -16.254 447 1HH1 ARG 61 1HH1 ARG 61 -1.047 0.603 -19.042 448 2HH1 ARG 61 2HH1 ARG 61 -0.960 0.349 -17.314 449 1HH2 ARG 61 1HH2 ARG 61 0.897 0.910 -20.271 450 2HH2 ARG 61 2HH2 ARG 61 2.452 0.887 -19.468 451 H LEU 62 H LEU 62 1.278 5.348 -14.579 452 HA LEU 62 HA LEU 62 1.455 4.652 -11.745 453 1HB LEU 62 1HB LEU 62 0.433 6.817 -13.364 454 2HB LEU 62 2HB LEU 62 -0.849 6.221 -12.281 455 HG LEU 62 HG LEU 62 0.770 8.042 -11.366 456 1HD1 LEU 62 1HD1 LEU 62 -0.033 7.355 -9.370 457 2HD1 LEU 62 2HD1 LEU 62 -0.621 5.889 -10.191 458 3HD1 LEU 62 3HD1 LEU 62 0.978 5.890 -9.407 459 1HD2 LEU 62 1HD2 LEU 62 2.941 7.451 -10.808 460 2HD2 LEU 62 2HD2 LEU 62 2.551 5.719 -10.679 461 3HD2 LEU 62 3HD2 LEU 62 2.732 6.474 -12.281 462 H GLU 63 H GLU 63 0.152 3.272 -10.649 463 HA GLU 63 HA GLU 63 -2.256 2.246 -12.060 464 1HB GLU 63 1HB GLU 63 -0.213 0.557 -10.563 465 2HB GLU 63 2HB GLU 63 -1.693 -0.027 -11.361 466 1HG GLU 63 1HG GLU 63 0.701 1.298 -12.696 467 2HG GLU 63 2HG GLU 63 0.212 -0.405 -12.837 468 H THR 64 H THR 64 -4.034 1.993 -10.773 469 HA THR 64 HA THR 64 -3.627 2.551 -7.872 470 HB THR 64 HB THR 64 -6.109 3.337 -8.118 471 HG1 THR 64 1HG THR 64 -5.189 3.769 -10.759 472 1HG2 THR 64 1HG2 THR 64 -3.564 4.605 -8.333 473 2HG2 THR 64 2HG2 THR 64 -4.630 5.378 -9.530 474 3HG2 THR 64 3HG2 THR 64 -5.105 5.332 -7.815 475 H ILE 65 H ILE 65 -4.722 1.281 -6.382 476 HA ILE 65 HA ILE 65 -6.419 -0.900 -7.460 477 HB ILE 65 HB ILE 65 -3.994 -1.638 -7.159 478 1HG1 ILE 65 1HG1 ILE 65 -6.077 -2.964 -5.371 479 2HG1 ILE 65 2HG1 ILE 65 -5.971 -3.176 -7.135 480 1HG2 ILE 65 1HG2 ILE 65 -3.145 -1.903 -4.924 481 2HG2 ILE 65 2HG2 ILE 65 -3.716 -0.222 -5.053 482 3HG2 ILE 65 3HG2 ILE 65 -4.706 -1.436 -4.208 483 1HD1 ILE 65 1HD1 ILE 65 -3.878 -3.932 -5.056 484 2HD1 ILE 65 2HD1 ILE 65 -4.809 -5.032 -6.099 485 3HD1 ILE 65 3HD1 ILE 65 -3.583 -3.956 -6.811 486 H THR 66 H THR 66 -8.207 -1.256 -6.243 487 HA THR 66 HA THR 66 -8.388 0.263 -3.696 488 HB THR 66 HB THR 66 -10.405 -0.709 -5.732 489 HG1 THR 66 1HG THR 66 -9.782 1.764 -4.485 490 1HG2 THR 66 1HG2 THR 66 -11.994 -0.950 -4.151 491 2HG2 THR 66 2HG2 THR 66 -10.740 -0.763 -2.902 492 3HG2 THR 66 3HG2 THR 66 -11.623 0.663 -3.497 493 H LEU 67 H LEU 67 -8.276 -0.834 -1.836 494 HA LEU 67 HA LEU 67 -8.582 -3.775 -1.928 495 1HB LEU 67 1HB LEU 67 -7.579 -1.975 0.310 496 2HB LEU 67 2HB LEU 67 -7.447 -3.748 0.219 497 HG LEU 67 HG LEU 67 -6.302 -1.971 -1.954 498 1HD1 LEU 67 1HD1 LEU 67 -4.201 -1.884 -0.805 499 2HD1 LEU 67 2HD1 LEU 67 -5.425 -1.362 0.376 500 3HD1 LEU 67 3HD1 LEU 67 -4.762 -3.012 0.452 501 1HD2 LEU 67 1HD2 LEU 67 -5.354 -3.905 -2.724 502 2HD2 LEU 67 2HD2 LEU 67 -5.042 -4.523 -1.084 503 3HD2 LEU 67 3HD2 LEU 67 -6.665 -4.677 -1.800 504 H GLN 68 H GLN 68 -10.304 -4.802 -1.069 505 HA GLN 68 HA GLN 68 -12.426 -3.138 0.106 506 1HB GLN 68 1HB GLN 68 -12.336 -6.082 -0.665 507 2HB GLN 68 2HB GLN 68 -13.783 -5.188 -0.140 508 1HG GLN 68 1HG GLN 68 -12.103 -4.699 -2.629 509 2HG GLN 68 2HG GLN 68 -13.792 -5.247 -2.557 510 1HE2 GLN 68 1HE2 GLN 68 -15.163 -3.655 -1.004 511 2HE2 GLN 68 2HE2 GLN 68 -15.014 -1.965 -1.440 512 H LYS 69 H LYS 69 -13.719 -4.572 1.888 513 HA LYS 69 HA LYS 69 -12.198 -4.400 4.243 514 1HB LYS 69 1HB LYS 69 -14.616 -6.180 3.755 515 2HB LYS 69 2HB LYS 69 -14.072 -5.502 5.308 516 1HG LYS 69 1HG LYS 69 -14.975 -3.457 4.869 517 2HG LYS 69 2HG LYS 69 -14.466 -3.494 3.164 518 1HD LYS 69 1HD LYS 69 -16.762 -5.164 4.259 519 2HD LYS 69 2HD LYS 69 -16.983 -3.552 3.539 520 1HE LYS 69 1HE LYS 69 -16.540 -4.288 1.416 521 2HE LYS 69 2HE LYS 69 -15.340 -5.478 1.967 522 1HZ LYS 69 1HZ LYS 69 -18.259 -5.737 2.128 523 2HZ LYS 69 2HZ LYS 69 -17.248 -6.571 1.127 524 3HZ LYS 69 3HZ LYS 69 -17.184 -6.818 2.757 525 H TRP 70 H TRP 70 -10.713 -5.686 5.177 526 HA TRP 70 HA TRP 70 -9.320 -7.471 5.509 527 1HB TRP 70 1HB TRP 70 -11.691 -9.127 4.602 528 2HB TRP 70 2HB TRP 70 -10.338 -9.659 5.610 529 HD1 TRP 70 HD TRP 70 -13.777 -8.413 5.826 530 HE1 TRP 70 1HE TRP 70 -14.429 -7.803 8.211 531 HE3 TRP 70 3HE TRP 70 -9.126 -8.428 7.963 532 HZ2 TRP 70 2HZ TRP 70 -13.101 -7.370 10.746 533 HZ3 TRP 70 3HZ TRP 70 -8.860 -7.913 10.361 534 HH2 TRP 70 HH TRP 70 -10.832 -7.383 11.763 535 H GLY 71 H GLY 71 -9.533 -6.177 2.817 536 1HA GLY 71 1HA GLY 71 -9.115 -8.335 0.898 537 2HA GLY 71 2HA GLY 71 -8.960 -6.588 0.604 538 H SER 72 H SER 72 -7.120 -8.657 -0.286 539 HA SER 72 HA SER 72 -4.687 -7.642 1.073 540 1HB SER 72 1HB SER 72 -4.252 -10.362 0.285 541 2HB SER 72 2HB SER 72 -4.191 -9.659 1.920 542 HG SER 72 HG SER 72 -6.629 -10.327 0.654 543 H TRP 73 H TRP 73 -2.735 -7.890 -0.273 544 HA TRP 73 HA TRP 73 -3.312 -8.333 -3.146 545 1HB TRP 73 1HB TRP 73 -3.518 -5.887 -2.517 546 2HB TRP 73 2HB TRP 73 -1.802 -5.929 -2.089 547 HD1 TRP 73 HD TRP 73 -3.402 -7.532 -5.204 548 HE1 TRP 73 1HE TRP 73 -2.369 -6.526 -7.304 549 HE3 TRP 73 3HE TRP 73 -0.448 -3.967 -3.022 550 HZ2 TRP 73 2HZ TRP 73 -0.488 -4.430 -7.967 551 HZ3 TRP 73 3HZ TRP 73 0.948 -2.487 -4.418 552 HH2 TRP 73 HH TRP 73 0.940 -2.705 -6.886 553 H ASN 74 H ASN 74 -1.332 -8.643 -4.426 554 HA ASN 74 HA ASN 74 1.265 -8.743 -3.518 555 1HB ASN 74 1HB ASN 74 1.456 -11.233 -2.941 556 2HB ASN 74 2HB ASN 74 0.750 -10.175 -1.699 557 1HD2 ASN 74 1HD2 ASN 74 0.429 -13.148 -3.005 558 2HD2 ASN 74 2HD2 ASN 74 -1.300 -13.383 -2.866 559 HA PRO 75 HA PRO 75 0.436 -10.026 -7.856 560 1HB PRO 75 1HB PRO 75 2.068 -8.187 -9.029 561 2HB PRO 75 2HB PRO 75 0.440 -7.751 -8.414 562 1HG PRO 75 1HG PRO 75 3.092 -7.434 -6.980 563 2HG PRO 75 2HG PRO 75 1.836 -6.179 -7.236 564 1HD PRO 75 1HD PRO 75 1.963 -7.613 -4.921 565 2HD PRO 75 2HD PRO 75 0.380 -7.221 -5.660 566 H GLY 76 H GLY 76 3.707 -8.663 -7.212 567 1HA GLY 76 1HA GLY 76 5.072 -11.060 -6.710 568 2HA GLY 76 2HA GLY 76 5.037 -10.853 -8.476 569 H HIS 77 H HIS 77 5.653 -8.918 -5.489 570 HA HIS 77 HA HIS 77 7.318 -7.428 -4.991 571 1HB HIS 77 1HB HIS 77 8.993 -8.976 -5.504 572 2HB HIS 77 2HB HIS 77 8.575 -9.008 -7.227 573 HD1 HIS 77 1HD HIS 77 8.978 -5.560 -5.734 574 HD2 HIS 77 2HD HIS 77 11.246 -8.502 -7.736 575 HE1 HIS 77 1HE HIS 77 11.126 -4.406 -6.544 576 HE2 HIS 77 2HE HIS 77 12.495 -6.203 -7.759 577 H ILE 78 H ILE 78 6.490 -5.426 -5.299 578 HA ILE 78 HA ILE 78 6.276 -4.416 -8.081 579 HB ILE 78 HB ILE 78 5.180 -3.306 -5.466 580 1HG1 ILE 78 1HG1 ILE 78 4.361 -5.591 -6.741 581 2HG1 ILE 78 2HG1 ILE 78 3.281 -4.527 -5.809 582 1HG2 ILE 78 1HG2 ILE 78 4.746 -2.573 -8.392 583 2HG2 ILE 78 2HG2 ILE 78 3.774 -1.943 -7.040 584 3HG2 ILE 78 3HG2 ILE 78 5.510 -1.563 -7.141 585 1HD1 ILE 78 1HD1 ILE 78 2.335 -4.989 -8.043 586 2HD1 ILE 78 2HD1 ILE 78 2.749 -3.266 -7.879 587 3HD1 ILE 78 3HD1 ILE 78 3.811 -4.352 -8.806 588 H HIS 79 H HIS 79 7.204 -2.403 -8.669 589 HA HIS 79 HA HIS 79 9.808 -1.927 -7.873 590 1HB HIS 79 1HB HIS 79 9.081 -0.904 -9.855 591 2HB HIS 79 2HB HIS 79 7.664 -0.178 -9.074 592 HD1 HIS 79 1HD HIS 79 11.398 0.162 -8.043 593 HD2 HIS 79 2HD HIS 79 8.037 2.390 -9.287 594 HE1 HIS 79 1HE HIS 79 12.067 2.640 -7.905 595 HE2 HIS 79 2HE HIS 79 10.018 3.982 -8.663 596 H GLU 80 H GLU 80 7.323 0.543 -7.114 597 HA GLU 80 HA GLU 80 7.871 0.416 -4.263 598 1HB GLU 80 1HB GLU 80 9.886 1.598 -5.111 599 2HB GLU 80 2HB GLU 80 8.833 2.821 -5.860 600 1HG GLU 80 1HG GLU 80 8.193 2.312 -3.032 601 2HG GLU 80 2HG GLU 80 9.846 2.918 -3.273 602 H ILE 81 H ILE 81 6.462 1.801 -3.047 603 HA ILE 81 HA ILE 81 3.971 2.346 -4.466 604 HB ILE 81 HB ILE 81 4.848 2.601 -1.566 605 1HG1 ILE 81 1HG1 ILE 81 4.562 0.306 -2.630 606 2HG1 ILE 81 2HG1 ILE 81 3.501 0.628 -1.237 607 1HG2 ILE 81 1HG2 ILE 81 2.051 2.907 -2.731 608 2HG2 ILE 81 2HG2 ILE 81 2.542 3.112 -1.032 609 3HG2 ILE 81 3HG2 ILE 81 3.083 4.279 -2.262 610 1HD1 ILE 81 1HD1 ILE 81 1.633 0.476 -2.508 611 2HD1 ILE 81 2HD1 ILE 81 2.321 1.522 -3.773 612 3HD1 ILE 81 3HD1 ILE 81 2.678 -0.222 -3.768 613 H LEU 82 H LEU 82 3.128 4.321 -4.989 614 HA LEU 82 HA LEU 82 4.985 6.595 -4.851 615 1HB LEU 82 1HB LEU 82 2.223 6.422 -6.109 616 2HB LEU 82 2HB LEU 82 3.485 7.636 -6.428 617 HG LEU 82 HG LEU 82 3.269 4.805 -7.366 618 1HD1 LEU 82 1HD1 LEU 82 2.946 6.663 -8.916 619 2HD1 LEU 82 2HD1 LEU 82 4.499 7.383 -8.429 620 3HD1 LEU 82 3HD1 LEU 82 4.473 5.839 -9.314 621 1HD2 LEU 82 1HD2 LEU 82 5.239 4.459 -6.107 622 2HD2 LEU 82 2HD2 LEU 82 5.850 4.926 -7.712 623 3HD2 LEU 82 3HD2 LEU 82 5.819 6.117 -6.390 624 H SER 83 H SER 83 1.477 6.076 -4.151 625 HA SER 83 HA SER 83 1.802 7.658 -1.681 626 1HB SER 83 1HB SER 83 1.212 9.217 -3.600 627 2HB SER 83 2HB SER 83 -0.326 8.332 -3.742 628 HG SER 83 HG SER 83 0.494 9.260 -1.228 629 H ILE 84 H ILE 84 -0.364 7.650 -0.445 630 HA ILE 84 HA ILE 84 -1.882 5.158 -1.003 631 HB ILE 84 HB ILE 84 -0.389 5.936 1.506 632 1HG1 ILE 84 1HG1 ILE 84 -0.833 3.221 0.216 633 2HG1 ILE 84 2HG1 ILE 84 0.474 4.315 -0.297 634 1HG2 ILE 84 1HG2 ILE 84 -1.843 3.886 2.414 635 2HG2 ILE 84 2HG2 ILE 84 -2.430 5.562 2.540 636 3HG2 ILE 84 3HG2 ILE 84 -3.020 4.509 1.232 637 1HD1 ILE 84 1HD1 ILE 84 0.074 2.946 2.372 638 2HD1 ILE 84 2HD1 ILE 84 1.521 2.982 1.336 639 3HD1 ILE 84 3HD1 ILE 84 1.048 4.431 2.255 640 H ARG 85 H ARG 85 -4.036 5.454 -0.872 641 HA ARG 85 HA ARG 85 -4.992 7.885 0.565 642 1HB ARG 85 1HB ARG 85 -5.243 8.351 -1.757 643 2HB ARG 85 2HB ARG 85 -5.819 6.703 -2.103 644 1HG ARG 85 1HG ARG 85 -7.842 7.130 -0.729 645 2HG ARG 85 2HG ARG 85 -7.270 8.786 -0.413 646 1HD ARG 85 1HD ARG 85 -7.210 8.180 -3.263 647 2HD ARG 85 2HD ARG 85 -8.834 7.915 -2.592 648 HE ARG 85 HE ARG 85 -7.926 10.374 -1.576 649 1HH1 ARG 85 1HH1 ARG 85 -9.089 12.374 -4.239 650 2HH1 ARG 85 2HH1 ARG 85 -8.561 12.361 -2.571 651 1HH2 ARG 85 1HH2 ARG 85 -9.153 10.397 -5.452 652 2HH2 ARG 85 2HH2 ARG 85 -8.673 8.893 -4.699 653 H ILE 86 H ILE 86 -6.546 7.553 2.063 654 HA ILE 86 HA ILE 86 -7.745 4.825 2.168 655 HB ILE 86 HB ILE 86 -7.272 6.803 4.433 656 1HG1 ILE 86 1HG1 ILE 86 -5.814 4.190 4.145 657 2HG1 ILE 86 2HG1 ILE 86 -5.273 5.569 3.158 658 1HG2 ILE 86 1HG2 ILE 86 -7.872 3.837 4.614 659 2HG2 ILE 86 2HG2 ILE 86 -8.032 5.084 5.873 660 3HG2 ILE 86 3HG2 ILE 86 -9.181 5.039 4.515 661 1HD1 ILE 86 1HD1 ILE 86 -5.184 6.954 5.261 662 2HD1 ILE 86 2HD1 ILE 86 -5.548 5.481 6.191 663 3HD1 ILE 86 3HD1 ILE 86 -4.038 5.592 5.255 664 H TYR 87 H TYR 87 -9.936 4.637 2.171 665 HA TYR 87 HA TYR 87 -11.470 7.075 1.643 666 1HB TYR 87 1HB TYR 87 -12.108 4.113 1.664 667 2HB TYR 87 2HB TYR 87 -13.339 5.359 1.395 668 HD1 TYR 87 1HD TYR 87 -13.903 5.730 -0.809 669 HD2 TYR 87 2HD TYR 87 -9.872 4.591 0.141 670 HE1 TYR 87 1HE TYR 87 -13.318 5.789 -3.219 671 HE2 TYR 87 2HE TYR 87 -9.287 4.649 -2.268 672 HH TYR 87 HH TYR 87 -11.089 4.416 -4.666 Start of MODEL 25 1 H MET 1 H MET 1 -4.726 13.735 10.450 2 HA MET 1 HA MET 1 -3.857 12.765 8.216 3 1HB MET 1 1HB MET 1 -2.374 13.851 10.523 4 2HB MET 1 2HB MET 1 -1.363 12.922 9.390 5 1HG MET 1 1HG MET 1 -1.321 15.088 8.495 6 2HG MET 1 2HG MET 1 -2.557 14.262 7.532 7 1HE MET 1 1HE MET 1 -4.835 16.848 7.161 8 2HE MET 1 2HE MET 1 -3.206 17.563 7.203 9 3HE MET 1 3HE MET 1 -3.442 15.926 6.545 10 H ILE 2 H ILE 2 -1.923 11.324 7.578 11 HA ILE 2 HA ILE 2 -2.403 8.670 8.799 12 HB ILE 2 HB ILE 2 -2.722 8.796 6.398 13 1HG1 ILE 2 1HG1 ILE 2 -0.020 7.531 7.022 14 2HG1 ILE 2 2HG1 ILE 2 -1.598 6.776 7.348 15 1HG2 ILE 2 1HG2 ILE 2 -0.702 9.407 4.962 16 2HG2 ILE 2 2HG2 ILE 2 -1.458 10.763 5.833 17 3HG2 ILE 2 3HG2 ILE 2 0.052 10.044 6.443 18 1HD1 ILE 2 1HD1 ILE 2 -1.352 5.899 5.257 19 2HD1 ILE 2 2HD1 ILE 2 -1.884 7.509 4.714 20 3HD1 ILE 2 3HD1 ILE 2 -0.148 7.121 4.783 21 H ASN 3 H ASN 3 -0.786 7.459 9.736 22 HA ASN 3 HA ASN 3 1.953 8.587 9.726 23 1HB ASN 3 1HB ASN 3 0.087 8.378 12.028 24 2HB ASN 3 2HB ASN 3 1.734 7.776 12.315 25 1HD2 ASN 3 1HD2 ASN 3 0.596 10.081 13.596 26 2HD2 ASN 3 2HD2 ASN 3 1.508 11.483 13.080 27 H ARG 4 H ARG 4 3.592 7.030 10.262 28 HA ARG 4 HA ARG 4 2.921 4.370 9.338 29 1HB ARG 4 1HB ARG 4 5.079 5.590 8.874 30 2HB ARG 4 2HB ARG 4 5.503 5.378 10.590 31 1HG ARG 4 1HG ARG 4 5.090 2.873 10.240 32 2HG ARG 4 2HG ARG 4 5.047 3.223 8.495 33 1HD ARG 4 1HD ARG 4 7.297 2.879 8.625 34 2HD ARG 4 2HD ARG 4 7.318 4.555 9.216 35 HE ARG 4 HE ARG 4 7.796 3.791 11.365 36 1HH1 ARG 4 1HH1 ARG 4 8.295 0.459 12.411 37 2HH1 ARG 4 2HH1 ARG 4 8.458 2.146 12.847 38 1HH2 ARG 4 1HH2 ARG 4 7.416 -0.126 10.345 39 2HH2 ARG 4 2HH2 ARG 4 6.915 1.119 9.223 40 H THR 5 H THR 5 1.870 2.962 10.619 41 HA THR 5 HA THR 5 2.596 2.938 13.510 42 HB THR 5 HB THR 5 0.218 3.514 12.911 43 HG1 THR 5 1HG THR 5 0.510 2.611 14.881 44 1HG2 THR 5 1HG2 THR 5 -0.816 0.953 12.370 45 2HG2 THR 5 2HG2 THR 5 -0.715 2.321 11.235 46 3HG2 THR 5 3HG2 THR 5 0.590 1.112 11.291 47 H ASP 6 H ASP 6 2.882 0.897 14.538 48 HA ASP 6 HA ASP 6 3.923 -1.146 12.690 49 1HB ASP 6 1HB ASP 6 4.752 -0.138 15.144 50 2HB ASP 6 2HB ASP 6 4.026 -1.703 15.570 51 H CYS 7 H CYS 7 1.046 -0.699 12.765 52 HA CYS 7 HA CYS 7 -0.868 -1.951 12.805 53 1HB CYS 7 1HB CYS 7 0.331 -4.498 13.605 54 2HB CYS 7 2HB CYS 7 -0.588 -4.080 12.150 55 H ASN 8 H ASN 8 -2.326 -1.777 14.397 56 HA ASN 8 HA ASN 8 -1.842 -3.082 16.970 57 1HB ASN 8 1HB ASN 8 -2.180 -1.013 18.270 58 2HB ASN 8 2HB ASN 8 -0.706 -0.928 17.282 59 1HD2 ASN 8 1HD2 ASN 8 -0.971 0.115 15.069 60 2HD2 ASN 8 2HD2 ASN 8 -2.023 1.511 14.969 61 H GLU 9 H GLU 9 -3.666 -4.163 15.652 62 HA GLU 9 HA GLU 9 -6.102 -3.783 16.899 63 1HB GLU 9 1HB GLU 9 -5.609 -1.661 15.046 64 2HB GLU 9 2HB GLU 9 -6.895 -2.688 14.367 65 1HG GLU 9 1HG GLU 9 -7.723 -2.604 16.936 66 2HG GLU 9 2HG GLU 9 -6.871 -1.047 16.867 67 H ASN 10 H ASN 10 -4.340 -4.573 13.936 68 HA ASN 10 HA ASN 10 -4.338 -6.678 12.913 69 1HB ASN 10 1HB ASN 10 -5.682 -7.404 15.049 70 2HB ASN 10 2HB ASN 10 -7.094 -7.268 13.978 71 1HD2 ASN 10 1HD2 ASN 10 -4.207 -9.087 14.773 72 2HD2 ASN 10 2HD2 ASN 10 -4.454 -10.392 13.633 73 H SER 11 H SER 11 -7.105 -4.492 13.046 74 HA SER 11 HA SER 11 -7.789 -5.219 10.245 75 1HB SER 11 1HB SER 11 -9.842 -5.234 11.212 76 2HB SER 11 2HB SER 11 -9.298 -4.275 12.610 77 HG SER 11 HG SER 11 -9.589 -3.149 10.034 78 H TYR 12 H TYR 12 -5.917 -4.096 9.388 79 HA TYR 12 HA TYR 12 -6.508 -1.276 8.918 80 1HB TYR 12 1HB TYR 12 -4.290 -2.215 10.685 81 2HB TYR 12 2HB TYR 12 -3.924 -0.914 9.540 82 HD1 TYR 12 1HD TYR 12 -6.537 0.535 9.512 83 HD2 TYR 12 2HD TYR 12 -4.277 -1.125 12.766 84 HE1 TYR 12 1HE TYR 12 -7.556 2.183 11.061 85 HE2 TYR 12 2HE TYR 12 -5.295 0.523 14.314 86 HH TYR 12 HH TYR 12 -7.651 1.965 14.272 87 H LEU 13 H LEU 13 -4.475 -0.385 7.544 88 HA LEU 13 HA LEU 13 -4.192 -2.352 5.365 89 1HB LEU 13 1HB LEU 13 -4.899 -0.304 4.503 90 2HB LEU 13 2HB LEU 13 -3.916 0.636 5.651 91 HG LEU 13 HG LEU 13 -1.887 -0.531 4.442 92 1HD1 LEU 13 1HD1 LEU 13 -2.530 -1.936 2.789 93 2HD1 LEU 13 2HD1 LEU 13 -4.209 -1.348 2.848 94 3HD1 LEU 13 3HD1 LEU 13 -2.997 -0.485 1.871 95 1HD2 LEU 13 1HD2 LEU 13 -1.846 1.741 4.122 96 2HD2 LEU 13 2HD2 LEU 13 -2.368 1.289 2.481 97 3HD2 LEU 13 3HD2 LEU 13 -3.570 1.814 3.684 98 H GLU 14 H GLU 14 -2.379 -3.506 5.076 99 HA GLU 14 HA GLU 14 0.155 -2.399 6.175 100 1HB GLU 14 1HB GLU 14 -0.528 -5.346 6.257 101 2HB GLU 14 2HB GLU 14 0.732 -4.466 7.154 102 1HG GLU 14 1HG GLU 14 -0.708 -4.167 8.854 103 2HG GLU 14 2HG GLU 14 -1.766 -3.233 7.775 104 H ILE 15 H ILE 15 1.970 -2.731 4.918 105 HA ILE 15 HA ILE 15 1.579 -4.289 2.413 106 HB ILE 15 HB ILE 15 2.999 -1.608 2.603 107 1HG1 ILE 15 1HG1 ILE 15 0.314 -2.108 1.290 108 2HG1 ILE 15 2HG1 ILE 15 0.425 -1.649 3.006 109 1HG2 ILE 15 1HG2 ILE 15 2.280 -2.003 0.000 110 2HG2 ILE 15 2HG2 ILE 15 3.850 -2.500 0.674 111 3HG2 ILE 15 3HG2 ILE 15 2.532 -3.686 0.521 112 1HD1 ILE 15 1HD1 ILE 15 0.633 0.036 0.674 113 2HD1 ILE 15 2HD1 ILE 15 0.665 0.504 2.391 114 3HD1 ILE 15 3HD1 ILE 15 2.178 0.078 1.556 115 H HIS 16 H HIS 16 3.083 -5.835 2.244 116 HA HIS 16 HA HIS 16 5.703 -5.362 3.591 117 1HB HIS 16 1HB HIS 16 5.793 -7.760 4.011 118 2HB HIS 16 2HB HIS 16 4.319 -7.072 4.716 119 HD1 HIS 16 1HD HIS 16 5.457 -9.603 2.142 120 HD2 HIS 16 2HD HIS 16 1.952 -7.629 3.416 121 HE1 HIS 16 1HE HIS 16 3.478 -10.885 1.118 122 HE2 HIS 16 2HE HIS 16 1.356 -9.676 1.899 123 H ASN 17 H ASN 17 7.008 -4.742 1.928 124 HA ASN 17 HA ASN 17 6.846 -6.280 -0.604 125 1HB ASN 17 1HB ASN 17 8.303 -4.432 -1.463 126 2HB ASN 17 2HB ASN 17 6.723 -3.879 -0.866 127 1HD2 ASN 17 1HD2 ASN 17 8.484 -1.910 -1.034 128 2HD2 ASN 17 2HD2 ASN 17 9.166 -1.487 0.522 129 H ASN 18 H ASN 18 9.349 -6.083 -1.605 130 HA ASN 18 HA ASN 18 11.407 -7.083 -1.555 131 1HB ASN 18 1HB ASN 18 11.095 -6.014 1.236 132 2HB ASN 18 2HB ASN 18 12.468 -7.082 0.873 133 1HD2 ASN 18 1HD2 ASN 18 11.932 -3.986 1.332 134 2HD2 ASN 18 2HD2 ASN 18 12.917 -3.250 0.086 135 H GLU 19 H GLU 19 9.010 -8.705 -1.311 136 HA GLU 19 HA GLU 19 8.506 -10.917 -1.000 137 1HB GLU 19 1HB GLU 19 11.455 -11.042 -0.270 138 2HB GLU 19 2HB GLU 19 10.404 -12.471 -0.413 139 1HG GLU 19 1HG GLU 19 9.883 -11.862 -2.747 140 2HG GLU 19 2HG GLU 19 10.908 -10.418 -2.607 141 H GLY 20 H GLY 20 8.422 -8.793 1.176 142 1HA GLY 20 1HA GLY 20 7.372 -8.944 3.266 143 2HA GLY 20 2HA GLY 20 7.793 -10.669 3.352 144 H ARG 21 H ARG 21 9.889 -7.823 2.708 145 HA ARG 21 HA ARG 21 11.639 -8.732 4.917 146 1HB ARG 21 1HB ARG 21 12.467 -8.286 2.527 147 2HB ARG 21 2HB ARG 21 12.198 -6.561 2.873 148 1HG ARG 21 1HG ARG 21 13.817 -8.322 4.740 149 2HG ARG 21 2HG ARG 21 14.562 -7.516 3.338 150 1HD ARG 21 1HD ARG 21 13.203 -5.421 4.367 151 2HD ARG 21 2HD ARG 21 13.462 -6.347 5.861 152 HE ARG 21 HE ARG 21 15.655 -5.663 5.817 153 1HH1 ARG 21 1HH1 ARG 21 17.650 -4.527 3.139 154 2HH1 ARG 21 2HH1 ARG 21 17.583 -4.820 4.862 155 1HH2 ARG 21 1HH2 ARG 21 15.803 -4.987 1.811 156 2HH2 ARG 21 2HH2 ARG 21 14.343 -5.625 2.534 157 H ASP 22 H ASP 22 9.959 -5.810 3.663 158 HA ASP 22 HA ASP 22 10.104 -4.707 6.427 159 1HB ASP 22 1HB ASP 22 10.557 -3.346 3.757 160 2HB ASP 22 2HB ASP 22 10.138 -2.441 5.227 161 H THR 23 H THR 23 8.109 -4.609 7.267 162 HA THR 23 HA THR 23 5.822 -4.357 5.390 163 HB THR 23 HB THR 23 5.958 -5.220 8.306 164 HG1 THR 23 1HG THR 23 6.817 -6.701 6.784 165 1HG2 THR 23 1HG2 THR 23 3.559 -6.084 7.362 166 2HG2 THR 23 2HG2 THR 23 3.774 -4.524 8.191 167 3HG2 THR 23 3HG2 THR 23 3.738 -4.589 6.413 168 H LEU 24 H LEU 24 4.233 -2.767 5.687 169 HA LEU 24 HA LEU 24 4.862 -0.666 7.694 170 1HB LEU 24 1HB LEU 24 3.947 0.025 4.899 171 2HB LEU 24 2HB LEU 24 4.756 1.055 6.105 172 HG LEU 24 HG LEU 24 6.468 -1.180 5.609 173 1HD1 LEU 24 1HD1 LEU 24 5.807 -1.732 3.486 174 2HD1 LEU 24 2HD1 LEU 24 4.993 -0.171 3.223 175 3HD1 LEU 24 3HD1 LEU 24 6.761 -0.293 3.050 176 1HD2 LEU 24 1HD2 LEU 24 7.817 0.780 4.493 177 2HD2 LEU 24 2HD2 LEU 24 6.476 1.795 5.076 178 3HD2 LEU 24 3HD2 LEU 24 7.451 0.858 6.233 179 H CYS 25 H CYS 25 3.138 -0.399 8.971 180 HA CYS 25 HA CYS 25 0.463 -1.064 7.851 181 1HB CYS 25 1HB CYS 25 1.140 -0.712 10.770 182 2HB CYS 25 2HB CYS 25 -0.211 -1.595 10.040 183 H PHE 26 H PHE 26 -0.988 0.531 7.547 184 HA PHE 26 HA PHE 26 -0.377 3.170 8.797 185 1HB PHE 26 1HB PHE 26 -1.709 2.513 6.149 186 2HB PHE 26 2HB PHE 26 -1.539 4.140 6.828 187 HD1 PHE 26 1HD PHE 26 -0.027 1.612 4.795 188 HD2 PHE 26 2HD PHE 26 0.863 4.971 7.320 189 HE1 PHE 26 1HE PHE 26 2.204 1.819 3.733 190 HE2 PHE 26 2HE PHE 26 3.095 5.178 6.258 191 HZ PHE 26 HZ PHE 26 3.765 3.602 4.464 192 H ALA 27 H ALA 27 -2.212 4.465 9.428 193 HA ALA 27 HA ALA 27 -4.777 2.995 9.637 194 1HB ALA 27 1HB ALA 27 -4.011 2.485 11.765 195 2HB ALA 27 2HB ALA 27 -3.015 3.956 11.876 196 3HB ALA 27 3HB ALA 27 -4.782 4.060 12.067 197 H ASN 28 H ASN 28 -6.465 4.603 10.671 198 HA ASN 28 HA ASN 28 -7.617 6.573 10.482 199 1HB ASN 28 1HB ASN 28 -4.765 7.539 10.318 200 2HB ASN 28 2HB ASN 28 -6.109 8.669 10.045 201 1HD2 ASN 28 1HD2 ASN 28 -4.002 7.881 12.336 202 2HD2 ASN 28 2HD2 ASN 28 -4.984 8.009 13.780 203 H ALA 29 H ALA 29 -8.668 7.752 8.864 204 HA ALA 29 HA ALA 29 -8.405 6.741 6.218 205 1HB ALA 29 1HB ALA 29 -9.986 8.650 5.681 206 2HB ALA 29 2HB ALA 29 -10.529 7.569 6.987 207 3HB ALA 29 3HB ALA 29 -9.833 9.159 7.380 208 H GLY 30 H GLY 30 -6.454 8.906 7.920 209 1HA GLY 30 1HA GLY 30 -5.825 11.017 6.311 210 2HA GLY 30 2HA GLY 30 -4.593 10.061 7.167 211 H THR 31 H THR 31 -4.268 11.394 4.599 212 HA THR 31 HA THR 31 -3.563 8.999 3.001 213 HB THR 31 HB THR 31 -5.138 11.417 2.047 214 HG1 THR 31 1HG THR 31 -6.509 9.870 2.656 215 1HG2 THR 31 1HG2 THR 31 -4.819 10.590 -0.216 216 2HG2 THR 31 2HG2 THR 31 -3.216 10.823 0.521 217 3HG2 THR 31 3HG2 THR 31 -3.901 9.186 0.380 218 H MET 32 H MET 32 -1.437 9.075 2.612 219 HA MET 32 HA MET 32 -0.219 11.692 1.962 220 1HB MET 32 1HB MET 32 1.602 11.351 3.523 221 2HB MET 32 2HB MET 32 0.069 11.253 4.422 222 1HG MET 32 1HG MET 32 0.157 8.887 4.530 223 2HG MET 32 2HG MET 32 1.407 8.792 3.278 224 1HE MET 32 1HE MET 32 2.548 7.034 4.712 225 2HE MET 32 2HE MET 32 3.285 7.303 6.310 226 3HE MET 32 3HE MET 32 1.515 7.185 6.154 227 HA PRO 33 HA PRO 33 1.926 9.347 -1.062 228 1HB PRO 33 1HB PRO 33 4.255 10.732 -1.345 229 2HB PRO 33 2HB PRO 33 2.668 11.454 -1.767 230 1HG PRO 33 1HG PRO 33 4.191 11.755 0.837 231 2HG PRO 33 2HG PRO 33 3.527 13.065 -0.193 232 1HD PRO 33 1HD PRO 33 2.147 12.108 1.954 233 2HD PRO 33 2HD PRO 33 1.293 12.517 0.435 234 H VAL 34 H VAL 34 3.233 7.553 -1.149 235 HA VAL 34 HA VAL 34 5.301 7.217 0.940 236 HB VAL 34 HB VAL 34 4.463 5.055 1.594 237 1HG1 VAL 34 1HG1 VAL 34 2.617 5.751 2.846 238 2HG1 VAL 34 2HG1 VAL 34 3.343 7.313 2.398 239 3HG1 VAL 34 3HG1 VAL 34 1.934 6.697 1.502 240 1HG2 VAL 34 1HG2 VAL 34 2.801 3.874 0.487 241 2HG2 VAL 34 2HG2 VAL 34 1.997 5.350 -0.100 242 3HG2 VAL 34 3HG2 VAL 34 3.492 4.781 -0.880 243 H ALA 35 H ALA 35 6.758 5.371 0.436 244 HA ALA 35 HA ALA 35 6.770 4.741 -2.475 245 1HB ALA 35 1HB ALA 35 9.272 5.256 -0.846 246 2HB ALA 35 2HB ALA 35 9.089 5.200 -2.615 247 3HB ALA 35 3HB ALA 35 8.420 6.568 -1.694 248 H ILE 36 H ILE 36 6.381 2.609 -2.609 249 HA ILE 36 HA ILE 36 7.890 0.832 -0.755 250 HB ILE 36 HB ILE 36 4.984 0.689 -1.623 251 1HG1 ILE 36 1HG1 ILE 36 5.464 0.110 1.135 252 2HG1 ILE 36 2HG1 ILE 36 6.403 1.566 0.727 253 1HG2 ILE 36 1HG2 ILE 36 4.873 -1.545 -0.835 254 2HG2 ILE 36 2HG2 ILE 36 6.353 -1.507 -1.823 255 3HG2 ILE 36 3HG2 ILE 36 6.466 -1.437 -0.048 256 1HD1 ILE 36 1HD1 ILE 36 3.778 1.648 1.401 257 2HD1 ILE 36 2HD1 ILE 36 4.528 2.818 0.289 258 3HD1 ILE 36 3HD1 ILE 36 3.624 1.428 -0.359 259 H TYR 37 H TYR 37 9.396 -0.135 -1.992 260 HA TYR 37 HA TYR 37 8.665 -0.841 -4.783 261 1HB TYR 37 1HB TYR 37 11.379 -0.777 -3.425 262 2HB TYR 37 2HB TYR 37 11.063 -1.014 -5.152 263 HD1 TYR 37 1HD TYR 37 10.640 1.454 -2.371 264 HD2 TYR 37 2HD TYR 37 10.947 0.821 -6.609 265 HE1 TYR 37 1HE TYR 37 10.758 3.905 -2.729 266 HE2 TYR 37 2HE TYR 37 11.065 3.272 -6.966 267 HH TYR 37 HH TYR 37 11.638 5.524 -4.511 268 H GLY 38 H GLY 38 8.608 -2.943 -5.467 269 1HA GLY 38 1HA GLY 38 8.856 -5.246 -5.382 270 2HA GLY 38 2HA GLY 38 9.784 -5.077 -3.874 271 H VAL 39 H VAL 39 6.425 -4.394 -5.024 272 HA VAL 39 HA VAL 39 5.352 -5.063 -2.394 273 HB VAL 39 HB VAL 39 3.951 -4.459 -5.028 274 1HG1 VAL 39 1HG1 VAL 39 2.083 -3.821 -3.450 275 2HG1 VAL 39 2HG1 VAL 39 2.466 -5.559 -3.453 276 3HG1 VAL 39 3HG1 VAL 39 3.038 -4.524 -2.123 277 1HG2 VAL 39 1HG2 VAL 39 3.737 -2.170 -4.097 278 2HG2 VAL 39 2HG2 VAL 39 4.711 -2.657 -2.689 279 3HG2 VAL 39 3HG2 VAL 39 5.445 -2.624 -4.310 280 H ASN 40 H ASN 40 5.072 -7.114 -1.760 281 HA ASN 40 HA ASN 40 4.654 -9.181 -3.848 282 1HB ASN 40 1HB ASN 40 5.691 -9.174 -1.016 283 2HB ASN 40 2HB ASN 40 5.053 -10.671 -1.730 284 1HD2 ASN 40 1HD2 ASN 40 6.905 -7.957 -3.207 285 2HD2 ASN 40 2HD2 ASN 40 8.244 -8.941 -3.758 286 H TRP 41 H TRP 41 3.286 -7.811 -0.840 287 HA TRP 41 HA TRP 41 0.624 -8.612 -1.662 288 1HB TRP 41 1HB TRP 41 1.338 -10.733 -0.768 289 2HB TRP 41 2HB TRP 41 1.988 -9.959 0.684 290 HD1 TRP 41 HD TRP 41 -0.199 -8.378 1.905 291 HE1 TRP 41 1HE TRP 41 -2.428 -9.336 2.679 292 HE3 TRP 41 3HE TRP 41 -0.299 -12.613 -0.969 293 HZ2 TRP 41 2HZ TRP 41 -4.065 -11.658 2.126 294 HZ3 TRP 41 3HZ TRP 41 -2.207 -14.170 -0.818 295 HH2 TRP 41 HH TRP 41 -4.093 -13.709 0.720 296 H VAL 42 H VAL 42 -1.002 -7.565 -0.432 297 HA VAL 42 HA VAL 42 -0.017 -5.720 1.678 298 HB VAL 42 HB VAL 42 -1.580 -5.038 -0.830 299 1HG1 VAL 42 1HG1 VAL 42 -1.491 -3.672 1.871 300 2HG1 VAL 42 2HG1 VAL 42 -1.708 -2.724 0.381 301 3HG1 VAL 42 3HG1 VAL 42 -2.892 -3.978 0.817 302 1HG2 VAL 42 1HG2 VAL 42 0.413 -4.175 -1.432 303 2HG2 VAL 42 2HG2 VAL 42 0.357 -3.096 -0.018 304 3HG2 VAL 42 3HG2 VAL 42 1.122 -4.698 0.115 305 H GLU 43 H GLU 43 -1.315 -5.669 3.437 306 HA GLU 43 HA GLU 43 -3.759 -7.307 3.347 307 1HB GLU 43 1HB GLU 43 -2.021 -6.113 5.510 308 2HB GLU 43 2HB GLU 43 -3.661 -6.694 5.884 309 1HG GLU 43 1HG GLU 43 -3.092 -8.898 4.897 310 2HG GLU 43 2HG GLU 43 -1.448 -8.316 4.560 311 H SER 44 H SER 44 -5.770 -6.505 4.327 312 HA SER 44 HA SER 44 -6.091 -3.615 4.579 313 1HB SER 44 1HB SER 44 -7.638 -5.074 2.410 314 2HB SER 44 2HB SER 44 -7.627 -3.329 2.760 315 HG SER 44 HG SER 44 -5.789 -4.892 1.410 316 H GLY 45 H GLY 45 -6.678 -4.332 6.723 317 1HA GLY 45 1HA GLY 45 -8.530 -6.239 7.448 318 2HA GLY 45 2HA GLY 45 -8.334 -4.685 8.289 319 H ASN 46 H ASN 46 -10.744 -5.160 8.641 320 HA ASN 46 HA ASN 46 -12.566 -4.948 6.451 321 1HB ASN 46 1HB ASN 46 -13.247 -5.908 8.567 322 2HB ASN 46 2HB ASN 46 -12.855 -4.403 9.427 323 1HD2 ASN 46 1HD2 ASN 46 -14.608 -3.242 9.962 324 2HD2 ASN 46 2HD2 ASN 46 -16.075 -3.113 9.017 325 H ASN 47 H ASN 47 -10.930 -3.075 5.640 326 HA ASN 47 HA ASN 47 -12.497 -0.616 5.967 327 1HB ASN 47 1HB ASN 47 -10.202 0.611 6.265 328 2HB ASN 47 2HB ASN 47 -11.011 -0.093 7.681 329 1HD2 ASN 47 1HD2 ASN 47 -8.493 -0.688 5.201 330 2HD2 ASN 47 2HD2 ASN 47 -7.534 -1.780 6.176 331 H VAL 48 H VAL 48 -12.468 0.638 4.133 332 HA VAL 48 HA VAL 48 -11.114 -0.561 1.809 333 HB VAL 48 HB VAL 48 -12.993 1.823 1.893 334 1HG1 VAL 48 1HG1 VAL 48 -13.498 0.831 -0.438 335 2HG1 VAL 48 2HG1 VAL 48 -11.927 1.641 -0.229 336 3HG1 VAL 48 3HG1 VAL 48 -12.021 -0.137 -0.213 337 1HG2 VAL 48 1HG2 VAL 48 -13.520 -0.912 2.609 338 2HG2 VAL 48 2HG2 VAL 48 -14.676 0.432 2.449 339 3HG2 VAL 48 3HG2 VAL 48 -14.293 -0.585 1.039 340 H VAL 49 H VAL 49 -9.181 0.142 1.142 341 HA VAL 49 HA VAL 49 -8.519 3.009 1.551 342 HB VAL 49 HB VAL 49 -6.805 0.601 2.264 343 1HG1 VAL 49 1HG1 VAL 49 -4.930 1.918 2.235 344 2HG1 VAL 49 2HG1 VAL 49 -5.852 2.827 1.014 345 3HG1 VAL 49 3HG1 VAL 49 -5.827 3.381 2.706 346 1HG2 VAL 49 1HG2 VAL 49 -8.102 2.884 3.780 347 2HG2 VAL 49 2HG2 VAL 49 -8.200 1.136 4.101 348 3HG2 VAL 49 3HG2 VAL 49 -6.693 2.020 4.440 349 H THR 50 H THR 50 -7.321 3.930 -0.106 350 HA THR 50 HA THR 50 -7.078 2.234 -2.524 351 HB THR 50 HB THR 50 -7.359 5.183 -1.976 352 HG1 THR 50 1HG THR 50 -8.993 4.909 -3.451 353 1HG2 THR 50 1HG2 THR 50 -6.916 4.730 -4.772 354 2HG2 THR 50 2HG2 THR 50 -5.977 5.754 -3.660 355 3HG2 THR 50 3HG2 THR 50 -5.535 4.045 -3.883 356 H LEU 51 H LEU 51 -5.144 1.749 -3.442 357 HA LEU 51 HA LEU 51 -2.731 2.824 -2.066 358 1HB LEU 51 1HB LEU 51 -3.391 0.179 -3.370 359 2HB LEU 51 2HB LEU 51 -1.701 0.707 -3.187 360 HG LEU 51 HG LEU 51 -3.763 0.181 -1.025 361 1HD1 LEU 51 1HD1 LEU 51 -1.572 -1.244 -2.142 362 2HD1 LEU 51 2HD1 LEU 51 -1.041 -0.688 -0.537 363 3HD1 LEU 51 3HD1 LEU 51 -2.517 -1.670 -0.695 364 1HD2 LEU 51 1HD2 LEU 51 -1.283 1.919 -0.967 365 2HD2 LEU 51 2HD2 LEU 51 -2.898 2.252 -0.295 366 3HD2 LEU 51 3HD2 LEU 51 -1.833 1.065 0.495 367 H GLN 52 H GLN 52 -1.428 4.135 -3.200 368 HA GLN 52 HA GLN 52 -1.795 4.196 -6.157 369 1HB GLN 52 1HB GLN 52 -1.175 6.300 -4.084 370 2HB GLN 52 2HB GLN 52 -0.674 6.532 -5.776 371 1HG GLN 52 1HG GLN 52 -3.296 5.612 -5.993 372 2HG GLN 52 2HG GLN 52 -3.350 6.675 -4.570 373 1HE2 GLN 52 1HE2 GLN 52 -1.454 6.770 -7.642 374 2HE2 GLN 52 2HE2 GLN 52 -1.966 8.378 -8.108 375 H PHE 53 H PHE 53 -0.232 3.002 -7.097 376 HA PHE 53 HA PHE 53 2.563 3.554 -6.260 377 1HB PHE 53 1HB PHE 53 3.106 1.192 -6.407 378 2HB PHE 53 2HB PHE 53 1.827 1.443 -5.208 379 HD1 PHE 53 1HD PHE 53 -0.542 0.853 -5.776 380 HD2 PHE 53 2HD PHE 53 2.754 -0.161 -8.337 381 HE1 PHE 53 1HE PHE 53 -1.959 -0.817 -6.938 382 HE2 PHE 53 2HE PHE 53 1.337 -1.831 -9.499 383 HZ PHE 53 HZ PHE 53 -1.020 -2.159 -8.800 384 H GLN 54 H GLN 54 4.133 3.162 -7.951 385 HA GLN 54 HA GLN 54 2.900 3.431 -10.640 386 1HB GLN 54 1HB GLN 54 4.704 5.041 -9.399 387 2HB GLN 54 2HB GLN 54 5.807 3.920 -10.232 388 1HG GLN 54 1HG GLN 54 4.802 4.397 -12.370 389 2HG GLN 54 2HG GLN 54 3.474 5.301 -11.609 390 1HE2 GLN 54 1HE2 GLN 54 6.802 5.380 -12.701 391 2HE2 GLN 54 2HE2 GLN 54 7.093 7.077 -12.388 392 H ARG 55 H ARG 55 2.793 1.578 -11.760 393 HA ARG 55 HA ARG 55 4.086 -0.813 -11.137 394 1HB ARG 55 1HB ARG 55 2.433 0.248 -13.238 395 2HB ARG 55 2HB ARG 55 3.763 -0.682 -13.970 396 1HG ARG 55 1HG ARG 55 2.224 -1.782 -11.606 397 2HG ARG 55 2HG ARG 55 1.595 -1.958 -13.262 398 1HD ARG 55 1HD ARG 55 3.524 -3.181 -13.967 399 2HD ARG 55 2HD ARG 55 4.428 -2.743 -12.501 400 HE ARG 55 HE ARG 55 2.111 -4.136 -11.687 401 1HH1 ARG 55 1HH1 ARG 55 3.559 -7.351 -11.774 402 2HH1 ARG 55 2HH1 ARG 55 2.241 -6.382 -11.156 403 1HH2 ARG 55 1HH2 ARG 55 5.178 -6.383 -13.125 404 2HH2 ARG 55 2HH2 ARG 55 5.080 -4.683 -13.527 405 H ASN 56 H ASN 56 4.968 1.367 -13.883 406 HA ASN 56 HA ASN 56 7.729 0.283 -13.688 407 1HB ASN 56 1HB ASN 56 6.098 1.538 -15.904 408 2HB ASN 56 2HB ASN 56 7.870 1.446 -16.000 409 1HD2 ASN 56 1HD2 ASN 56 8.853 -0.764 -15.625 410 2HD2 ASN 56 2HD2 ASN 56 7.990 -2.146 -16.265 411 H LEU 57 H LEU 57 9.509 1.665 -13.543 412 HA LEU 57 HA LEU 57 8.908 4.266 -12.332 413 1HB LEU 57 1HB LEU 57 10.591 2.856 -11.286 414 2HB LEU 57 2HB LEU 57 11.495 2.738 -12.815 415 HG LEU 57 HG LEU 57 11.990 5.111 -12.780 416 1HD1 LEU 57 1HD1 LEU 57 11.083 6.012 -10.269 417 2HD1 LEU 57 2HD1 LEU 57 10.448 6.483 -11.864 418 3HD1 LEU 57 3HD1 LEU 57 9.700 5.137 -10.970 419 1HD2 LEU 57 1HD2 LEU 57 13.686 4.707 -11.352 420 2HD2 LEU 57 2HD2 LEU 57 12.583 4.849 -9.963 421 3HD2 LEU 57 3HD2 LEU 57 12.811 3.275 -10.761 422 H SER 58 H SER 58 11.068 3.090 -14.982 423 HA SER 58 HA SER 58 11.791 5.530 -16.055 424 1HB SER 58 1HB SER 58 12.496 3.171 -16.749 425 2HB SER 58 2HB SER 58 11.020 3.129 -17.744 426 HG SER 58 HG SER 58 12.895 3.898 -18.867 427 H ASP 59 H ASP 59 8.767 3.686 -16.601 428 HA ASP 59 HA ASP 59 7.732 5.984 -18.176 429 1HB ASP 59 1HB ASP 59 7.689 3.634 -19.126 430 2HB ASP 59 2HB ASP 59 6.540 3.211 -17.839 431 HA PRO 60 HA PRO 60 5.227 7.180 -14.758 432 1HB PRO 60 1HB PRO 60 3.377 8.707 -16.049 433 2HB PRO 60 2HB PRO 60 5.103 9.187 -15.960 434 1HG PRO 60 1HG PRO 60 3.719 7.714 -18.220 435 2HG PRO 60 2HG PRO 60 4.724 9.196 -18.340 436 1HD PRO 60 1HD PRO 60 5.778 6.723 -18.790 437 2HD PRO 60 2HD PRO 60 6.716 7.961 -17.900 438 H ARG 61 H ARG 61 4.826 4.506 -15.745 439 HA ARG 61 HA ARG 61 2.024 4.117 -16.356 440 1HB ARG 61 1HB ARG 61 4.425 2.588 -16.365 441 2HB ARG 61 2HB ARG 61 3.292 1.770 -15.263 442 1HG ARG 61 1HG ARG 61 1.687 2.549 -17.418 443 2HG ARG 61 2HG ARG 61 3.203 2.021 -18.185 444 1HD ARG 61 1HD ARG 61 2.810 0.095 -16.233 445 2HD ARG 61 2HD ARG 61 1.151 0.445 -16.765 446 HE ARG 61 HE ARG 61 2.758 0.157 -19.075 447 1HH1 ARG 61 1HH1 ARG 61 2.230 -3.310 -19.448 448 2HH1 ARG 61 2HH1 ARG 61 2.744 -1.838 -20.240 449 1HH2 ARG 61 1HH2 ARG 61 1.561 -3.259 -17.226 450 2HH2 ARG 61 2HH2 ARG 61 1.572 -1.749 -16.343 451 H LEU 62 H LEU 62 1.079 5.391 -14.603 452 HA LEU 62 HA LEU 62 1.446 4.416 -11.872 453 1HB LEU 62 1HB LEU 62 0.984 6.851 -12.703 454 2HB LEU 62 2HB LEU 62 -0.712 6.320 -12.787 455 HG LEU 62 HG LEU 62 -0.025 7.375 -10.576 456 1HD1 LEU 62 1HD1 LEU 62 -1.836 6.197 -9.927 457 2HD1 LEU 62 2HD1 LEU 62 -1.479 4.920 -11.115 458 3HD1 LEU 62 3HD1 LEU 62 -0.749 4.856 -9.493 459 1HD2 LEU 62 1HD2 LEU 62 1.345 6.044 -9.056 460 2HD2 LEU 62 2HD2 LEU 62 1.493 4.750 -10.270 461 3HD2 LEU 62 3HD2 LEU 62 2.260 6.331 -10.556 462 H GLU 63 H GLU 63 -0.002 3.205 -10.677 463 HA GLU 63 HA GLU 63 -2.474 2.314 -12.057 464 1HB GLU 63 1HB GLU 63 -0.277 0.573 -10.894 465 2HB GLU 63 2HB GLU 63 -1.936 -0.018 -11.158 466 1HG GLU 63 1HG GLU 63 -1.600 0.998 -13.570 467 2HG GLU 63 2HG GLU 63 0.127 0.857 -13.177 468 H THR 64 H THR 64 -4.214 2.013 -10.704 469 HA THR 64 HA THR 64 -3.690 2.556 -7.819 470 HB THR 64 HB THR 64 -6.191 3.313 -7.962 471 HG1 THR 64 1HG THR 64 -6.675 4.104 -10.049 472 1HG2 THR 64 1HG2 THR 64 -3.654 4.666 -8.706 473 2HG2 THR 64 2HG2 THR 64 -5.134 5.515 -9.213 474 3HG2 THR 64 3HG2 THR 64 -4.877 5.121 -7.496 475 H ILE 65 H ILE 65 -4.680 1.261 -6.287 476 HA ILE 65 HA ILE 65 -6.424 -0.922 -7.280 477 HB ILE 65 HB ILE 65 -4.004 -1.676 -7.159 478 1HG1 ILE 65 1HG1 ILE 65 -6.032 -2.931 -5.261 479 2HG1 ILE 65 2HG1 ILE 65 -5.854 -3.276 -6.998 480 1HG2 ILE 65 1HG2 ILE 65 -3.886 -0.200 -4.886 481 2HG2 ILE 65 2HG2 ILE 65 -4.255 -1.794 -4.184 482 3HG2 ILE 65 3HG2 ILE 65 -2.808 -1.581 -5.199 483 1HD1 ILE 65 1HD1 ILE 65 -3.341 -3.794 -6.305 484 2HD1 ILE 65 2HD1 ILE 65 -4.066 -4.043 -4.698 485 3HD1 ILE 65 3HD1 ILE 65 -4.612 -5.020 -6.082 486 H THR 66 H THR 66 -8.174 -1.182 -6.007 487 HA THR 66 HA THR 66 -8.146 0.217 -3.386 488 HB THR 66 HB THR 66 -10.362 -0.622 -5.284 489 HG1 THR 66 1HG THR 66 -10.595 1.530 -5.497 490 1HG2 THR 66 1HG2 THR 66 -10.960 -1.061 -2.879 491 2HG2 THR 66 2HG2 THR 66 -10.620 0.650 -2.527 492 3HG2 THR 66 3HG2 THR 66 -11.947 0.216 -3.631 493 H LEU 67 H LEU 67 -8.048 -0.961 -1.574 494 HA LEU 67 HA LEU 67 -8.479 -3.881 -1.791 495 1HB LEU 67 1HB LEU 67 -7.290 -2.195 0.447 496 2HB LEU 67 2HB LEU 67 -7.308 -3.973 0.362 497 HG LEU 67 HG LEU 67 -6.182 -2.520 -1.998 498 1HD1 LEU 67 1HD1 LEU 67 -4.446 -1.537 -0.936 499 2HD1 LEU 67 2HD1 LEU 67 -5.345 -1.786 0.580 500 3HD1 LEU 67 3HD1 LEU 67 -4.145 -2.989 0.050 501 1HD2 LEU 67 1HD2 LEU 67 -5.305 -4.569 -2.386 502 2HD2 LEU 67 2HD2 LEU 67 -4.641 -4.671 -0.738 503 3HD2 LEU 67 3HD2 LEU 67 -6.326 -5.152 -1.049 504 H GLN 68 H GLN 68 -10.287 -4.816 -1.041 505 HA GLN 68 HA GLN 68 -12.260 -3.140 0.335 506 1HB GLN 68 1HB GLN 68 -12.327 -6.021 -0.646 507 2HB GLN 68 2HB GLN 68 -13.713 -5.136 0.035 508 1HG GLN 68 1HG GLN 68 -12.170 -4.513 -2.508 509 2HG GLN 68 2HG GLN 68 -13.883 -4.963 -2.357 510 1HE2 GLN 68 1HE2 GLN 68 -15.209 -3.441 -0.881 511 2HE2 GLN 68 2HE2 GLN 68 -14.914 -1.728 -1.083 512 H LYS 69 H LYS 69 -13.580 -4.633 2.061 513 HA LYS 69 HA LYS 69 -12.083 -4.623 4.404 514 1HB LYS 69 1HB LYS 69 -14.352 -6.565 3.883 515 2HB LYS 69 2HB LYS 69 -13.921 -5.745 5.404 516 1HG LYS 69 1HG LYS 69 -15.439 -4.166 4.838 517 2HG LYS 69 2HG LYS 69 -14.292 -3.651 3.579 518 1HD LYS 69 1HD LYS 69 -15.318 -5.359 2.037 519 2HD LYS 69 2HD LYS 69 -16.543 -5.683 3.287 520 1HE LYS 69 1HE LYS 69 -17.017 -3.159 3.256 521 2HE LYS 69 2HE LYS 69 -16.045 -3.101 1.770 522 1HZ LYS 69 1HZ LYS 69 -18.350 -4.876 2.122 523 2HZ LYS 69 2HZ LYS 69 -18.455 -3.374 1.449 524 3HZ LYS 69 3HZ LYS 69 -17.540 -4.540 0.726 525 H TRP 70 H TRP 70 -10.726 -6.015 5.447 526 HA TRP 70 HA TRP 70 -9.148 -7.687 5.559 527 1HB TRP 70 1HB TRP 70 -11.443 -9.450 4.677 528 2HB TRP 70 2HB TRP 70 -10.077 -9.881 5.715 529 HD1 TRP 70 HD TRP 70 -13.592 -8.928 5.876 530 HE1 TRP 70 1HE TRP 70 -14.320 -8.294 8.233 531 HE3 TRP 70 3HE TRP 70 -8.980 -8.428 8.038 532 HZ2 TRP 70 2HZ TRP 70 -13.063 -7.646 10.757 533 HZ3 TRP 70 3HZ TRP 70 -8.786 -7.802 10.417 534 HH2 TRP 70 HH TRP 70 -10.812 -7.408 11.787 535 H GLY 71 H GLY 71 -9.312 -6.312 2.988 536 1HA GLY 71 1HA GLY 71 -8.977 -8.408 0.963 537 2HA GLY 71 2HA GLY 71 -8.867 -6.650 0.720 538 H SER 72 H SER 72 -7.015 -8.716 -0.242 539 HA SER 72 HA SER 72 -4.562 -7.648 1.038 540 1HB SER 72 1HB SER 72 -4.324 -10.448 0.192 541 2HB SER 72 2HB SER 72 -3.820 -9.669 1.711 542 HG SER 72 HG SER 72 -5.661 -11.308 1.650 543 H TRP 73 H TRP 73 -2.646 -7.863 -0.365 544 HA TRP 73 HA TRP 73 -3.389 -8.149 -3.236 545 1HB TRP 73 1HB TRP 73 -3.189 -5.761 -2.446 546 2HB TRP 73 2HB TRP 73 -1.492 -6.092 -2.071 547 HD1 TRP 73 HD TRP 73 -3.052 -7.510 -5.237 548 HE1 TRP 73 1HE TRP 73 -2.022 -6.412 -7.291 549 HE3 TRP 73 3HE TRP 73 -0.315 -3.861 -2.914 550 HZ2 TRP 73 2HZ TRP 73 -0.226 -4.216 -7.868 551 HZ3 TRP 73 3HZ TRP 73 1.041 -2.288 -4.248 552 HH2 TRP 73 HH TRP 73 1.096 -2.452 -6.719 553 H ASN 74 H ASN 74 -2.061 -9.438 -4.396 554 HA ASN 74 HA ASN 74 0.638 -10.006 -3.301 555 1HB ASN 74 1HB ASN 74 -0.720 -11.829 -2.499 556 2HB ASN 74 2HB ASN 74 -1.483 -12.031 -4.091 557 1HD2 ASN 74 1HD2 ASN 74 1.831 -11.889 -2.650 558 2HD2 ASN 74 2HD2 ASN 74 2.477 -13.218 -3.587 559 HA PRO 75 HA PRO 75 0.579 -9.060 -7.844 560 1HB PRO 75 1HB PRO 75 2.488 -7.116 -7.806 561 2HB PRO 75 2HB PRO 75 0.789 -6.782 -7.338 562 1HG PRO 75 1HG PRO 75 3.107 -7.435 -5.497 563 2HG PRO 75 2HG PRO 75 1.981 -6.043 -5.378 564 1HD PRO 75 1HD PRO 75 1.578 -8.324 -3.941 565 2HD PRO 75 2HD PRO 75 0.195 -7.463 -4.683 566 H GLY 76 H GLY 76 3.778 -8.300 -6.482 567 1HA GLY 76 1HA GLY 76 5.139 -10.619 -6.345 568 2HA GLY 76 2HA GLY 76 4.953 -10.442 -8.105 569 H HIS 77 H HIS 77 5.827 -8.418 -5.241 570 HA HIS 77 HA HIS 77 7.556 -6.953 -4.919 571 1HB HIS 77 1HB HIS 77 8.967 -8.829 -5.660 572 2HB HIS 77 2HB HIS 77 8.731 -8.346 -7.350 573 HD1 HIS 77 1HD HIS 77 9.333 -5.301 -7.264 574 HD2 HIS 77 2HD HIS 77 11.434 -8.246 -5.093 575 HE1 HIS 77 1HE HIS 77 11.638 -4.305 -6.716 576 HE2 HIS 77 2HE HIS 77 12.905 -6.103 -5.398 577 H ILE 78 H ILE 78 6.383 -5.077 -5.320 578 HA ILE 78 HA ILE 78 6.143 -4.140 -8.102 579 HB ILE 78 HB ILE 78 5.207 -2.933 -5.469 580 1HG1 ILE 78 1HG1 ILE 78 4.297 -5.240 -6.588 581 2HG1 ILE 78 2HG1 ILE 78 3.248 -4.101 -5.710 582 1HG2 ILE 78 1HG2 ILE 78 5.553 -1.322 -7.370 583 2HG2 ILE 78 2HG2 ILE 78 4.423 -2.293 -8.343 584 3HG2 ILE 78 3HG2 ILE 78 3.851 -1.472 -6.872 585 1HD1 ILE 78 1HD1 ILE 78 2.343 -4.774 -7.963 586 2HD1 ILE 78 2HD1 ILE 78 2.591 -3.020 -7.790 587 3HD1 ILE 78 3HD1 ILE 78 3.758 -3.997 -8.712 588 H HIS 79 H HIS 79 7.137 -2.280 -8.905 589 HA HIS 79 HA HIS 79 9.742 -1.737 -8.310 590 1HB HIS 79 1HB HIS 79 8.892 -0.736 -10.238 591 2HB HIS 79 2HB HIS 79 7.507 -0.030 -9.385 592 HD1 HIS 79 1HD HIS 79 11.283 0.419 -8.576 593 HD2 HIS 79 2HD HIS 79 7.806 2.541 -9.675 594 HE1 HIS 79 1HE HIS 79 11.898 2.913 -8.524 595 HE2 HIS 79 2HE HIS 79 9.779 4.192 -9.193 596 H GLU 80 H GLU 80 7.303 0.723 -7.360 597 HA GLU 80 HA GLU 80 8.152 0.673 -4.582 598 1HB GLU 80 1HB GLU 80 10.021 1.891 -5.767 599 2HB GLU 80 2HB GLU 80 8.830 3.123 -6.249 600 1HG GLU 80 1HG GLU 80 8.311 2.888 -3.562 601 2HG GLU 80 2HG GLU 80 10.064 2.599 -3.604 602 H ILE 81 H ILE 81 6.777 1.911 -3.245 603 HA ILE 81 HA ILE 81 4.184 2.476 -4.458 604 HB ILE 81 HB ILE 81 5.224 2.691 -1.606 605 1HG1 ILE 81 1HG1 ILE 81 5.109 0.397 -2.707 606 2HG1 ILE 81 2HG1 ILE 81 4.099 0.589 -1.254 607 1HG2 ILE 81 1HG2 ILE 81 2.321 2.437 -2.116 608 2HG2 ILE 81 2HG2 ILE 81 3.190 3.486 -0.970 609 3HG2 ILE 81 3HG2 ILE 81 3.022 3.976 -2.672 610 1HD1 ILE 81 1HD1 ILE 81 2.609 1.444 -3.582 611 2HD1 ILE 81 2HD1 ILE 81 3.266 -0.185 -3.865 612 3HD1 ILE 81 3HD1 ILE 81 2.241 0.126 -2.443 613 H LEU 82 H LEU 82 3.250 4.463 -4.777 614 HA LEU 82 HA LEU 82 5.084 6.759 -4.700 615 1HB LEU 82 1HB LEU 82 2.215 6.597 -5.695 616 2HB LEU 82 2HB LEU 82 3.420 7.853 -6.066 617 HG LEU 82 HG LEU 82 3.061 5.175 -7.250 618 1HD1 LEU 82 1HD1 LEU 82 4.668 7.649 -8.024 619 2HD1 LEU 82 2HD1 LEU 82 4.314 6.266 -9.087 620 3HD1 LEU 82 3HD1 LEU 82 2.990 7.305 -8.509 621 1HD2 LEU 82 1HD2 LEU 82 4.957 4.436 -6.072 622 2HD2 LEU 82 2HD2 LEU 82 5.660 5.074 -7.577 623 3HD2 LEU 82 3HD2 LEU 82 5.714 6.047 -6.087 624 H SER 83 H SER 83 1.616 6.297 -3.801 625 HA SER 83 HA SER 83 2.162 7.617 -1.218 626 1HB SER 83 1HB SER 83 1.522 9.319 -3.078 627 2HB SER 83 2HB SER 83 -0.104 8.606 -2.960 628 HG SER 83 HG SER 83 -0.298 9.940 -1.353 629 H ILE 84 H ILE 84 0.044 7.631 0.116 630 HA ILE 84 HA ILE 84 -1.575 5.223 -0.549 631 HB ILE 84 HB ILE 84 -0.089 5.914 1.991 632 1HG1 ILE 84 1HG1 ILE 84 -0.555 3.195 0.754 633 2HG1 ILE 84 2HG1 ILE 84 0.669 4.292 0.070 634 1HG2 ILE 84 1HG2 ILE 84 -2.487 5.613 2.580 635 2HG2 ILE 84 2HG2 ILE 84 -2.490 4.055 1.721 636 3HG2 ILE 84 3HG2 ILE 84 -1.488 4.266 3.176 637 1HD1 ILE 84 1HD1 ILE 84 1.821 2.946 1.684 638 2HD1 ILE 84 2HD1 ILE 84 1.582 4.533 2.453 639 3HD1 ILE 84 3HD1 ILE 84 0.530 3.165 2.890 640 H ARG 85 H ARG 85 -3.736 5.503 -0.329 641 HA ARG 85 HA ARG 85 -4.637 7.974 1.076 642 1HB ARG 85 1HB ARG 85 -4.882 8.296 -1.313 643 2HB ARG 85 2HB ARG 85 -5.659 6.704 -1.492 644 1HG ARG 85 1HG ARG 85 -7.476 7.504 0.074 645 2HG ARG 85 2HG ARG 85 -6.741 9.124 0.008 646 1HD ARG 85 1HD ARG 85 -7.448 7.635 -2.529 647 2HD ARG 85 2HD ARG 85 -8.682 8.560 -1.647 648 HE ARG 85 HE ARG 85 -6.227 10.050 -2.177 649 1HH1 ARG 85 1HH1 ARG 85 -7.869 12.010 -4.607 650 2HH1 ARG 85 2HH1 ARG 85 -6.433 11.841 -3.621 651 1HH2 ARG 85 1HH2 ARG 85 -9.566 10.434 -4.464 652 2HH2 ARG 85 2HH2 ARG 85 -9.411 9.077 -3.370 653 H ILE 86 H ILE 86 -6.085 7.659 2.670 654 HA ILE 86 HA ILE 86 -7.351 4.965 2.834 655 HB ILE 86 HB ILE 86 -6.755 6.919 5.088 656 1HG1 ILE 86 1HG1 ILE 86 -5.262 4.378 4.319 657 2HG1 ILE 86 2HG1 ILE 86 -4.701 6.019 3.916 658 1HG2 ILE 86 1HG2 ILE 86 -8.403 4.600 4.869 659 2HG2 ILE 86 2HG2 ILE 86 -6.966 4.130 5.809 660 3HG2 ILE 86 3HG2 ILE 86 -7.971 5.497 6.345 661 1HD1 ILE 86 1HD1 ILE 86 -3.798 4.912 6.097 662 2HD1 ILE 86 2HD1 ILE 86 -4.376 6.594 6.186 663 3HD1 ILE 86 3HD1 ILE 86 -5.410 5.266 6.764 664 H TYR 87 H TYR 87 -9.550 4.828 3.041 665 HA TYR 87 HA TYR 87 -11.051 7.284 2.511 666 1HB TYR 87 1HB TYR 87 -11.748 4.344 2.713 667 2HB TYR 87 2HB TYR 87 -12.980 5.601 2.511 668 HD1 TYR 87 1HD TYR 87 -13.754 5.842 0.353 669 HD2 TYR 87 2HD TYR 87 -9.636 4.792 0.979 670 HE1 TYR 87 1HE TYR 87 -13.390 5.806 -2.100 671 HE2 TYR 87 2HE TYR 87 -9.272 4.756 -1.474 672 HH TYR 87 HH TYR 87 -10.515 4.559 -3.576 Start of MODEL 26 1 H MET 1 H MET 1 -3.182 12.423 6.499 2 HA MET 1 HA MET 1 -2.789 12.922 8.997 3 1HB MET 1 1HB MET 1 -5.614 12.917 8.812 4 2HB MET 1 2HB MET 1 -5.180 11.471 9.755 5 1HG MET 1 1HG MET 1 -3.459 13.351 10.781 6 2HG MET 1 2HG MET 1 -4.884 14.339 10.417 7 1HE MET 1 1HE MET 1 -4.832 14.412 13.837 8 2HE MET 1 2HE MET 1 -5.297 15.162 12.291 9 3HE MET 1 3HE MET 1 -6.543 14.457 13.349 10 H ILE 2 H ILE 2 -1.859 11.181 7.027 11 HA ILE 2 HA ILE 2 -2.354 8.461 8.080 12 HB ILE 2 HB ILE 2 -2.459 8.741 5.656 13 1HG1 ILE 2 1HG1 ILE 2 0.178 7.420 6.415 14 2HG1 ILE 2 2HG1 ILE 2 -1.417 6.673 6.672 15 1HG2 ILE 2 1HG2 ILE 2 0.204 10.089 6.128 16 2HG2 ILE 2 2HG2 ILE 2 -0.139 9.317 4.562 17 3HG2 ILE 2 3HG2 ILE 2 -1.176 10.639 5.148 18 1HD1 ILE 2 1HD1 ILE 2 -1.211 7.703 3.962 19 2HD1 ILE 2 2HD1 ILE 2 0.148 6.608 4.311 20 3HD1 ILE 2 3HD1 ILE 2 -1.527 6.040 4.510 21 H ASN 3 H ASN 3 -0.855 7.326 9.228 22 HA ASN 3 HA ASN 3 1.883 8.439 9.425 23 1HB ASN 3 1HB ASN 3 -0.150 8.171 11.611 24 2HB ASN 3 2HB ASN 3 1.541 7.779 11.990 25 1HD2 ASN 3 1HD2 ASN 3 0.323 9.913 13.271 26 2HD2 ASN 3 2HD2 ASN 3 0.995 11.419 12.684 27 H ARG 4 H ARG 4 3.468 6.892 9.727 28 HA ARG 4 HA ARG 4 2.695 4.164 9.115 29 1HB ARG 4 1HB ARG 4 4.811 5.495 8.383 30 2HB ARG 4 2HB ARG 4 5.445 5.068 9.990 31 1HG ARG 4 1HG ARG 4 4.458 2.650 9.178 32 2HG ARG 4 2HG ARG 4 4.951 3.345 7.615 33 1HD ARG 4 1HD ARG 4 7.109 2.934 8.089 34 2HD ARG 4 2HD ARG 4 6.989 3.923 9.560 35 HE ARG 4 HE ARG 4 6.867 1.002 9.368 36 1HH1 ARG 4 1HH1 ARG 4 6.544 0.757 12.872 37 2HH1 ARG 4 2HH1 ARG 4 6.844 -0.120 11.389 38 1HH2 ARG 4 1HH2 ARG 4 6.168 3.047 12.811 39 2HH2 ARG 4 2HH2 ARG 4 6.186 3.896 11.282 40 H THR 5 H THR 5 1.860 2.856 10.635 41 HA THR 5 HA THR 5 2.826 3.179 13.428 42 HB THR 5 HB THR 5 0.461 3.375 13.333 43 HG1 THR 5 1HG THR 5 1.076 1.938 14.924 44 1HG2 THR 5 1HG2 THR 5 -0.054 2.656 11.123 45 2HG2 THR 5 2HG2 THR 5 0.656 1.047 11.395 46 3HG2 THR 5 3HG2 THR 5 -0.878 1.488 12.183 47 H ASP 6 H ASP 6 3.471 1.335 14.636 48 HA ASP 6 HA ASP 6 4.813 -0.674 13.004 49 1HB ASP 6 1HB ASP 6 5.220 0.523 15.506 50 2HB ASP 6 2HB ASP 6 4.776 -1.156 15.882 51 H CYS 7 H CYS 7 1.692 -0.364 13.547 52 HA CYS 7 HA CYS 7 0.032 -1.965 13.272 53 1HB CYS 7 1HB CYS 7 1.960 -4.104 14.179 54 2HB CYS 7 2HB CYS 7 0.507 -4.272 13.180 55 H ASN 8 H ASN 8 -1.223 -1.220 14.937 56 HA ASN 8 HA ASN 8 -0.493 -2.024 17.692 57 1HB ASN 8 1HB ASN 8 -2.658 -0.506 18.046 58 2HB ASN 8 2HB ASN 8 -1.049 0.204 17.790 59 1HD2 ASN 8 1HD2 ASN 8 -0.524 1.164 15.774 60 2HD2 ASN 8 2HD2 ASN 8 -1.759 1.576 14.603 61 H GLU 9 H GLU 9 -3.623 -1.700 15.930 62 HA GLU 9 HA GLU 9 -4.396 -4.320 17.124 63 1HB GLU 9 1HB GLU 9 -5.733 -2.484 17.997 64 2HB GLU 9 2HB GLU 9 -6.072 -1.902 16.349 65 1HG GLU 9 1HG GLU 9 -7.048 -4.255 15.917 66 2HG GLU 9 2HG GLU 9 -7.019 -4.457 17.682 67 H ASN 10 H ASN 10 -3.680 -5.661 15.457 68 HA ASN 10 HA ASN 10 -3.699 -5.369 12.767 69 1HB ASN 10 1HB ASN 10 -4.401 -7.689 14.547 70 2HB ASN 10 2HB ASN 10 -4.562 -7.866 12.786 71 1HD2 ASN 10 1HD2 ASN 10 -2.415 -7.928 15.461 72 2HD2 ASN 10 2HD2 ASN 10 -0.910 -8.014 14.570 73 H SER 11 H SER 11 -5.147 -4.431 11.455 74 HA SER 11 HA SER 11 -7.520 -5.436 10.633 75 1HB SER 11 1HB SER 11 -9.197 -4.012 12.004 76 2HB SER 11 2HB SER 11 -8.558 -5.496 12.751 77 HG SER 11 HG SER 11 -7.197 -3.067 13.100 78 H TYR 12 H TYR 12 -5.413 -3.856 9.670 79 HA TYR 12 HA TYR 12 -6.963 -1.596 8.589 80 1HB TYR 12 1HB TYR 12 -4.595 -0.344 8.959 81 2HB TYR 12 2HB TYR 12 -5.964 -0.214 10.077 82 HD1 TYR 12 1HD TYR 12 -5.030 0.007 12.204 83 HD2 TYR 12 2HD TYR 12 -3.541 -3.027 9.553 84 HE1 TYR 12 1HE TYR 12 -3.623 -0.901 14.034 85 HE2 TYR 12 2HE TYR 12 -2.134 -3.935 11.382 86 HH TYR 12 HH TYR 12 -2.390 -2.828 14.703 87 H LEU 13 H LEU 13 -4.896 -0.370 7.177 88 HA LEU 13 HA LEU 13 -4.400 -2.418 5.140 89 1HB LEU 13 1HB LEU 13 -5.076 -0.465 4.109 90 2HB LEU 13 2HB LEU 13 -4.295 0.575 5.325 91 HG LEU 13 HG LEU 13 -2.067 -0.466 4.376 92 1HD1 LEU 13 1HD1 LEU 13 -3.902 -1.836 2.806 93 2HD1 LEU 13 2HD1 LEU 13 -3.378 -0.515 1.735 94 3HD1 LEU 13 3HD1 LEU 13 -2.175 -1.627 2.429 95 1HD2 LEU 13 1HD2 LEU 13 -2.686 1.276 2.269 96 2HD2 LEU 13 2HD2 LEU 13 -3.753 1.799 3.593 97 3HD2 LEU 13 3HD2 LEU 13 -1.992 1.731 3.843 98 H GLU 14 H GLU 14 -2.556 -3.544 4.977 99 HA GLU 14 HA GLU 14 -0.098 -2.342 6.155 100 1HB GLU 14 1HB GLU 14 -0.666 -5.310 6.213 101 2HB GLU 14 2HB GLU 14 0.480 -4.367 7.196 102 1HG GLU 14 1HG GLU 14 -1.093 -4.163 8.788 103 2HG GLU 14 2HG GLU 14 -2.099 -3.250 7.643 104 H ILE 15 H ILE 15 1.823 -2.740 5.038 105 HA ILE 15 HA ILE 15 1.568 -4.264 2.498 106 HB ILE 15 HB ILE 15 2.915 -1.553 2.791 107 1HG1 ILE 15 1HG1 ILE 15 0.372 -2.166 1.256 108 2HG1 ILE 15 2HG1 ILE 15 0.330 -1.652 2.960 109 1HG2 ILE 15 1HG2 ILE 15 2.864 -3.677 0.759 110 2HG2 ILE 15 2HG2 ILE 15 2.349 -2.100 0.115 111 3HG2 ILE 15 3HG2 ILE 15 3.938 -2.265 0.899 112 1HD1 ILE 15 1HD1 ILE 15 0.652 -0.027 0.608 113 2HD1 ILE 15 2HD1 ILE 15 0.578 0.490 2.310 114 3HD1 ILE 15 3HD1 ILE 15 2.144 0.077 1.573 115 H HIS 16 H HIS 16 3.093 -5.796 2.404 116 HA HIS 16 HA HIS 16 5.637 -5.301 3.881 117 1HB HIS 16 1HB HIS 16 5.721 -7.706 4.308 118 2HB HIS 16 2HB HIS 16 4.230 -7.006 4.966 119 HD1 HIS 16 1HD HIS 16 5.424 -9.585 2.478 120 HD2 HIS 16 2HD HIS 16 1.902 -7.530 3.565 121 HE1 HIS 16 1HE HIS 16 3.469 -10.852 1.392 122 HE2 HIS 16 2HE HIS 16 1.336 -9.594 2.059 123 H ASN 17 H ASN 17 7.015 -4.686 2.274 124 HA ASN 17 HA ASN 17 6.995 -6.273 -0.236 125 1HB ASN 17 1HB ASN 17 8.420 -4.407 -1.086 126 2HB ASN 17 2HB ASN 17 6.816 -3.872 -0.540 127 1HD2 ASN 17 1HD2 ASN 17 6.608 -2.654 1.396 128 2HD2 ASN 17 2HD2 ASN 17 7.989 -1.886 2.149 129 H ASN 18 H ASN 18 9.553 -5.981 -1.116 130 HA ASN 18 HA ASN 18 11.617 -6.958 -0.963 131 1HB ASN 18 1HB ASN 18 11.170 -5.707 1.716 132 2HB ASN 18 2HB ASN 18 12.531 -6.839 1.558 133 1HD2 ASN 18 1HD2 ASN 18 12.532 -3.884 1.980 134 2HD2 ASN 18 2HD2 ASN 18 13.452 -3.218 0.648 135 H GLU 19 H GLU 19 9.201 -8.603 -0.651 136 HA GLU 19 HA GLU 19 8.709 -10.797 -0.221 137 1HB GLU 19 1HB GLU 19 11.698 -10.844 0.302 138 2HB GLU 19 2HB GLU 19 10.679 -12.301 0.387 139 1HG GLU 19 1HG GLU 19 9.897 -11.841 -1.943 140 2HG GLU 19 2HG GLU 19 11.013 -10.461 -2.018 141 H GLY 20 H GLY 20 7.938 -9.050 1.712 142 1HA GLY 20 1HA GLY 20 7.245 -9.002 3.901 143 2HA GLY 20 2HA GLY 20 7.708 -10.716 4.009 144 H ARG 21 H ARG 21 9.735 -7.840 3.284 145 HA ARG 21 HA ARG 21 11.530 -8.668 5.489 146 1HB ARG 21 1HB ARG 21 12.322 -8.259 3.081 147 2HB ARG 21 2HB ARG 21 12.019 -6.532 3.391 148 1HG ARG 21 1HG ARG 21 13.490 -7.759 5.595 149 2HG ARG 21 2HG ARG 21 14.344 -7.979 4.049 150 1HD ARG 21 1HD ARG 21 14.510 -5.669 3.664 151 2HD ARG 21 2HD ARG 21 13.171 -5.290 4.769 152 HE ARG 21 HE ARG 21 14.687 -5.171 6.500 153 1HH1 ARG 21 1HH1 ARG 21 18.039 -6.258 6.657 154 2HH1 ARG 21 2HH1 ARG 21 16.767 -5.387 7.483 155 1HH2 ARG 21 1HH2 ARG 21 17.637 -7.199 4.573 156 2HH2 ARG 21 2HH2 ARG 21 16.062 -7.035 3.829 157 H ASP 22 H ASP 22 9.913 -5.735 4.152 158 HA ASP 22 HA ASP 22 9.954 -4.625 6.917 159 1HB ASP 22 1HB ASP 22 10.551 -3.277 4.267 160 2HB ASP 22 2HB ASP 22 10.111 -2.366 5.728 161 H THR 23 H THR 23 7.928 -4.454 7.665 162 HA THR 23 HA THR 23 5.735 -4.174 5.683 163 HB THR 23 HB THR 23 5.507 -4.827 8.638 164 HG1 THR 23 1HG THR 23 5.922 -6.510 6.392 165 1HG2 THR 23 1HG2 THR 23 3.377 -4.300 7.813 166 2HG2 THR 23 2HG2 THR 23 3.737 -4.940 6.192 167 3HG2 THR 23 3HG2 THR 23 3.449 -6.058 7.546 168 H LEU 24 H LEU 24 4.010 -2.652 6.110 169 HA LEU 24 HA LEU 24 4.728 -0.465 7.983 170 1HB LEU 24 1HB LEU 24 3.730 0.098 5.182 171 2HB LEU 24 2HB LEU 24 4.506 1.209 6.336 172 HG LEU 24 HG LEU 24 6.268 -1.024 5.870 173 1HD1 LEU 24 1HD1 LEU 24 4.930 0.183 3.452 174 2HD1 LEU 24 2HD1 LEU 24 6.652 -0.256 3.367 175 3HD1 LEU 24 3HD1 LEU 24 5.434 -1.499 3.741 176 1HD2 LEU 24 1HD2 LEU 24 7.765 0.807 5.092 177 2HD2 LEU 24 2HD2 LEU 24 6.374 1.918 5.075 178 3HD2 LEU 24 3HD2 LEU 24 6.941 1.224 6.613 179 H CYS 25 H CYS 25 3.053 -0.192 9.322 180 HA CYS 25 HA CYS 25 0.368 -1.041 8.420 181 1HB CYS 25 1HB CYS 25 1.666 -0.477 11.085 182 2HB CYS 25 2HB CYS 25 -0.097 -0.546 10.926 183 H PHE 26 H PHE 26 -0.963 0.449 7.586 184 HA PHE 26 HA PHE 26 -0.601 3.271 8.478 185 1HB PHE 26 1HB PHE 26 -1.587 2.083 5.867 186 2HB PHE 26 2HB PHE 26 -1.732 3.800 6.282 187 HD1 PHE 26 1HD PHE 26 0.294 1.347 4.722 188 HD2 PHE 26 2HD PHE 26 0.513 4.986 6.995 189 HE1 PHE 26 1HE PHE 26 2.587 1.745 3.865 190 HE2 PHE 26 2HE PHE 26 2.806 5.383 6.138 191 HZ PHE 26 HZ PHE 26 3.843 3.763 4.573 192 H ALA 27 H ALA 27 -2.359 4.391 9.241 193 HA ALA 27 HA ALA 27 -5.000 3.051 9.128 194 1HB ALA 27 1HB ALA 27 -4.797 2.429 11.283 195 2HB ALA 27 2HB ALA 27 -3.289 3.354 11.481 196 3HB ALA 27 3HB ALA 27 -4.862 4.161 11.693 197 H ASN 28 H ASN 28 -6.711 4.632 10.084 198 HA ASN 28 HA ASN 28 -7.666 6.731 10.155 199 1HB ASN 28 1HB ASN 28 -4.942 7.849 9.413 200 2HB ASN 28 2HB ASN 28 -6.310 8.719 10.140 201 1HD2 ASN 28 1HD2 ASN 28 -6.739 8.526 12.355 202 2HD2 ASN 28 2HD2 ASN 28 -5.645 7.724 13.461 203 H ALA 29 H ALA 29 -8.823 7.850 8.616 204 HA ALA 29 HA ALA 29 -8.670 6.923 5.927 205 1HB ALA 29 1HB ALA 29 -10.730 7.758 7.056 206 2HB ALA 29 2HB ALA 29 -10.046 9.401 7.036 207 3HB ALA 29 3HB ALA 29 -10.421 8.574 5.505 208 H GLY 30 H GLY 30 -6.560 8.908 7.542 209 1HA GLY 30 1HA GLY 30 -6.132 11.127 5.895 210 2HA GLY 30 2HA GLY 30 -4.866 10.276 6.810 211 H THR 31 H THR 31 -4.417 11.489 4.270 212 HA THR 31 HA THR 31 -3.677 9.064 2.737 213 HB THR 31 HB THR 31 -5.156 11.490 1.653 214 HG1 THR 31 1HG THR 31 -6.748 10.162 1.841 215 1HG2 THR 31 1HG2 THR 31 -4.660 9.391 -0.276 216 2HG2 THR 31 2HG2 THR 31 -4.204 11.110 -0.354 217 3HG2 THR 31 3HG2 THR 31 -3.114 9.935 0.419 218 H MET 32 H MET 32 -1.542 9.116 2.396 219 HA MET 32 HA MET 32 -0.275 11.727 1.802 220 1HB MET 32 1HB MET 32 1.491 11.353 3.406 221 2HB MET 32 2HB MET 32 -0.061 11.224 4.266 222 1HG MET 32 1HG MET 32 0.111 8.686 3.704 223 2HG MET 32 2HG MET 32 1.823 9.026 3.399 224 1HE MET 32 1HE MET 32 2.989 7.538 6.116 225 2HE MET 32 2HE MET 32 1.356 6.881 6.384 226 3HE MET 32 3HE MET 32 1.962 7.110 4.726 227 HA PRO 33 HA PRO 33 1.846 9.373 -1.235 228 1HB PRO 33 1HB PRO 33 4.125 10.827 -1.574 229 2HB PRO 33 2HB PRO 33 2.511 11.490 -1.988 230 1HG PRO 33 1HG PRO 33 4.055 11.889 0.590 231 2HG PRO 33 2HG PRO 33 3.337 13.157 -0.456 232 1HD PRO 33 1HD PRO 33 2.015 12.197 1.726 233 2HD PRO 33 2HD PRO 33 1.130 12.550 0.211 234 H VAL 34 H VAL 34 2.980 7.504 -1.127 235 HA VAL 34 HA VAL 34 5.153 7.309 0.896 236 HB VAL 34 HB VAL 34 4.370 5.136 1.577 237 1HG1 VAL 34 1HG1 VAL 34 3.051 7.474 2.134 238 2HG1 VAL 34 2HG1 VAL 34 1.717 6.471 1.515 239 3HG1 VAL 34 3HG1 VAL 34 2.681 5.912 2.903 240 1HG2 VAL 34 1HG2 VAL 34 3.057 5.224 -0.985 241 2HG2 VAL 34 2HG2 VAL 34 3.229 3.844 0.126 242 3HG2 VAL 34 3HG2 VAL 34 1.831 4.935 0.273 243 H ALA 35 H ALA 35 6.670 5.508 0.424 244 HA ALA 35 HA ALA 35 6.725 4.850 -2.481 245 1HB ALA 35 1HB ALA 35 8.340 6.601 -2.161 246 2HB ALA 35 2HB ALA 35 8.970 5.832 -0.684 247 3HB ALA 35 3HB ALA 35 9.244 5.071 -2.270 248 H ILE 36 H ILE 36 6.385 2.709 -2.609 249 HA ILE 36 HA ILE 36 7.917 0.976 -0.733 250 HB ILE 36 HB ILE 36 5.007 0.824 -1.568 251 1HG1 ILE 36 1HG1 ILE 36 5.769 0.135 1.171 252 2HG1 ILE 36 2HG1 ILE 36 6.355 1.752 0.714 253 1HG2 ILE 36 1HG2 ILE 36 4.936 -1.446 -0.705 254 2HG2 ILE 36 2HG2 ILE 36 6.187 -1.371 -1.969 255 3HG2 ILE 36 3HG2 ILE 36 6.656 -1.373 -0.252 256 1HD1 ILE 36 1HD1 ILE 36 3.570 0.760 1.061 257 2HD1 ILE 36 2HD1 ILE 36 4.237 2.393 1.294 258 3HD1 ILE 36 3HD1 ILE 36 3.838 1.821 -0.343 259 H TYR 37 H TYR 37 9.433 -0.001 -1.945 260 HA TYR 37 HA TYR 37 8.742 -0.706 -4.746 261 1HB TYR 37 1HB TYR 37 11.396 -0.518 -3.283 262 2HB TYR 37 2HB TYR 37 11.204 -0.997 -4.978 263 HD1 TYR 37 1HD TYR 37 10.925 1.804 -2.573 264 HD2 TYR 37 2HD TYR 37 10.762 0.625 -6.700 265 HE1 TYR 37 1HE TYR 37 11.013 4.186 -3.257 266 HE2 TYR 37 2HE TYR 37 10.850 3.007 -7.384 267 HH TYR 37 HH TYR 37 10.304 5.595 -5.327 268 H GLY 38 H GLY 38 8.784 -2.813 -5.468 269 1HA GLY 38 1HA GLY 38 8.934 -5.112 -5.372 270 2HA GLY 38 2HA GLY 38 9.916 -4.957 -3.897 271 H VAL 39 H VAL 39 6.521 -4.366 -4.984 272 HA VAL 39 HA VAL 39 5.514 -4.940 -2.307 273 HB VAL 39 HB VAL 39 4.064 -4.480 -4.944 274 1HG1 VAL 39 1HG1 VAL 39 3.097 -4.262 -2.062 275 2HG1 VAL 39 2HG1 VAL 39 2.125 -4.029 -3.535 276 3HG1 VAL 39 3HG1 VAL 39 2.761 -5.642 -3.134 277 1HG2 VAL 39 1HG2 VAL 39 4.529 -2.522 -2.665 278 2HG2 VAL 39 2HG2 VAL 39 5.614 -2.628 -4.073 279 3HG2 VAL 39 3HG2 VAL 39 3.905 -2.181 -4.297 280 H ASN 40 H ASN 40 5.132 -6.934 -1.556 281 HA ASN 40 HA ASN 40 4.853 -9.131 -3.534 282 1HB ASN 40 1HB ASN 40 5.460 -9.187 -0.554 283 2HB ASN 40 2HB ASN 40 5.423 -10.594 -1.639 284 1HD2 ASN 40 1HD2 ASN 40 7.045 -10.805 -3.296 285 2HD2 ASN 40 2HD2 ASN 40 8.572 -9.959 -3.164 286 H TRP 41 H TRP 41 3.367 -7.674 -0.614 287 HA TRP 41 HA TRP 41 0.738 -8.502 -1.512 288 1HB TRP 41 1HB TRP 41 1.372 -10.604 -0.567 289 2HB TRP 41 2HB TRP 41 2.063 -9.828 0.864 290 HD1 TRP 41 HD TRP 41 -0.080 -8.163 2.075 291 HE1 TRP 41 1HE TRP 41 -2.314 -9.062 2.903 292 HE3 TRP 41 3HE TRP 41 -0.293 -12.467 -0.687 293 HZ2 TRP 41 2HZ TRP 41 -3.999 -11.368 2.433 294 HZ3 TRP 41 3HZ TRP 41 -2.225 -13.987 -0.470 295 HH2 TRP 41 HH TRP 41 -4.081 -13.454 1.081 296 H VAL 42 H VAL 42 -0.944 -7.480 -0.309 297 HA VAL 42 HA VAL 42 -0.038 -5.585 1.787 298 HB VAL 42 HB VAL 42 -1.472 -4.945 -0.803 299 1HG1 VAL 42 1HG1 VAL 42 -1.706 -2.620 0.402 300 2HG1 VAL 42 2HG1 VAL 42 -2.919 -3.885 0.711 301 3HG1 VAL 42 3HG1 VAL 42 -1.622 -3.587 1.893 302 1HG2 VAL 42 1HG2 VAL 42 0.269 -2.908 -0.173 303 2HG2 VAL 42 2HG2 VAL 42 1.100 -4.317 0.529 304 3HG2 VAL 42 3HG2 VAL 42 0.678 -4.304 -1.200 305 H GLU 43 H GLU 43 -1.412 -5.489 3.489 306 HA GLU 43 HA GLU 43 -3.835 -7.153 3.341 307 1HB GLU 43 1HB GLU 43 -2.277 -5.821 5.574 308 2HB GLU 43 2HB GLU 43 -3.869 -6.568 5.845 309 1HG GLU 43 1HG GLU 43 -3.065 -8.715 5.063 310 2HG GLU 43 2HG GLU 43 -1.521 -8.003 4.548 311 H SER 44 H SER 44 -5.885 -6.336 4.262 312 HA SER 44 HA SER 44 -6.228 -3.431 4.337 313 1HB SER 44 1HB SER 44 -7.895 -4.984 2.349 314 2HB SER 44 2HB SER 44 -7.651 -3.226 2.477 315 HG SER 44 HG SER 44 -5.947 -5.208 1.454 316 H GLY 45 H GLY 45 -6.772 -4.032 6.540 317 1HA GLY 45 1HA GLY 45 -8.598 -5.883 7.423 318 2HA GLY 45 2HA GLY 45 -8.424 -4.264 8.137 319 H ASN 46 H ASN 46 -10.840 -4.852 8.516 320 HA ASN 46 HA ASN 46 -12.652 -4.777 6.312 321 1HB ASN 46 1HB ASN 46 -13.083 -5.604 8.677 322 2HB ASN 46 2HB ASN 46 -13.189 -3.899 9.167 323 1HD2 ASN 46 1HD2 ASN 46 -15.279 -6.018 9.203 324 2HD2 ASN 46 2HD2 ASN 46 -16.591 -5.410 8.217 325 H ASN 47 H ASN 47 -11.050 -2.876 5.463 326 HA ASN 47 HA ASN 47 -12.711 -0.466 5.660 327 1HB ASN 47 1HB ASN 47 -10.489 0.866 5.978 328 2HB ASN 47 2HB ASN 47 -11.283 0.155 7.400 329 1HD2 ASN 47 1HD2 ASN 47 -8.745 -0.454 4.929 330 2HD2 ASN 47 2HD2 ASN 47 -7.730 -1.442 5.959 331 H VAL 48 H VAL 48 -12.569 0.830 3.826 332 HA VAL 48 HA VAL 48 -11.216 -0.456 1.546 333 HB VAL 48 HB VAL 48 -13.037 1.977 1.574 334 1HG1 VAL 48 1HG1 VAL 48 -12.758 1.920 -0.663 335 2HG1 VAL 48 2HG1 VAL 48 -11.507 0.675 -0.433 336 3HG1 VAL 48 3HG1 VAL 48 -13.199 0.196 -0.710 337 1HG2 VAL 48 1HG2 VAL 48 -13.605 -0.974 1.751 338 2HG2 VAL 48 2HG2 VAL 48 -14.464 0.393 2.501 339 3HG2 VAL 48 3HG2 VAL 48 -14.685 0.045 0.770 340 H VAL 49 H VAL 49 -9.234 0.163 0.944 341 HA VAL 49 HA VAL 49 -8.494 3.018 1.313 342 HB VAL 49 HB VAL 49 -6.951 0.545 2.150 343 1HG1 VAL 49 1HG1 VAL 49 -5.024 1.555 1.564 344 2HG1 VAL 49 2HG1 VAL 49 -5.937 2.918 0.875 345 3HG1 VAL 49 3HG1 VAL 49 -5.454 2.946 2.588 346 1HG2 VAL 49 1HG2 VAL 49 -7.274 3.140 3.662 347 2HG2 VAL 49 2HG2 VAL 49 -8.600 1.952 3.646 348 3HG2 VAL 49 3HG2 VAL 49 -7.004 1.497 4.291 349 H THR 50 H THR 50 -7.378 3.905 -0.386 350 HA THR 50 HA THR 50 -7.064 2.145 -2.748 351 HB THR 50 HB THR 50 -7.562 5.050 -2.262 352 HG1 THR 50 1HG THR 50 -9.090 3.445 -3.030 353 1HG2 THR 50 1HG2 THR 50 -5.562 3.992 -4.173 354 2HG2 THR 50 2HG2 THR 50 -6.805 5.028 -4.915 355 3HG2 THR 50 3HG2 THR 50 -5.806 5.653 -3.581 356 H LEU 51 H LEU 51 -5.109 1.662 -3.616 357 HA LEU 51 HA LEU 51 -2.736 2.852 -2.265 358 1HB LEU 51 1HB LEU 51 -3.296 0.142 -3.492 359 2HB LEU 51 2HB LEU 51 -1.632 0.724 -3.249 360 HG LEU 51 HG LEU 51 -3.784 0.268 -1.152 361 1HD1 LEU 51 1HD1 LEU 51 -2.586 -1.584 -0.659 362 2HD1 LEU 51 2HD1 LEU 51 -1.685 -1.305 -2.168 363 3HD1 LEU 51 3HD1 LEU 51 -1.063 -0.662 -0.629 364 1HD2 LEU 51 1HD2 LEU 51 -1.193 1.850 -1.014 365 2HD2 LEU 51 2HD2 LEU 51 -2.828 2.375 -0.545 366 3HD2 LEU 51 3HD2 LEU 51 -1.968 1.160 0.432 367 H GLN 52 H GLN 52 -1.425 4.118 -3.444 368 HA GLN 52 HA GLN 52 -1.768 4.047 -6.404 369 1HB GLN 52 1HB GLN 52 -1.248 6.262 -4.421 370 2HB GLN 52 2HB GLN 52 -0.715 6.431 -6.111 371 1HG GLN 52 1HG GLN 52 -3.258 5.476 -6.459 372 2HG GLN 52 2HG GLN 52 -3.456 6.422 -4.967 373 1HE2 GLN 52 1HE2 GLN 52 -1.915 6.655 -8.225 374 2HE2 GLN 52 2HE2 GLN 52 -2.308 8.342 -8.478 375 H PHE 53 H PHE 53 -0.157 2.851 -7.260 376 HA PHE 53 HA PHE 53 2.608 3.521 -6.406 377 1HB PHE 53 1HB PHE 53 3.209 1.155 -6.491 378 2HB PHE 53 2HB PHE 53 1.949 1.441 -5.279 379 HD1 PHE 53 1HD PHE 53 -0.419 0.791 -5.769 380 HD2 PHE 53 2HD PHE 53 2.837 -0.280 -8.358 381 HE1 PHE 53 1HE PHE 53 -1.835 -0.946 -6.830 382 HE2 PHE 53 2HE PHE 53 1.420 -2.017 -9.420 383 HZ PHE 53 HZ PHE 53 -0.916 -2.350 -8.656 384 H GLN 54 H GLN 54 4.221 3.076 -8.055 385 HA GLN 54 HA GLN 54 3.039 3.279 -10.768 386 1HB GLN 54 1HB GLN 54 4.818 4.909 -9.585 387 2HB GLN 54 2HB GLN 54 5.953 3.709 -10.247 388 1HG GLN 54 1HG GLN 54 5.210 4.076 -12.475 389 2HG GLN 54 2HG GLN 54 3.743 4.920 -11.934 390 1HE2 GLN 54 1HE2 GLN 54 7.182 5.178 -12.595 391 2HE2 GLN 54 2HE2 GLN 54 7.311 6.911 -12.383 392 H ARG 55 H ARG 55 2.915 1.421 -11.874 393 HA ARG 55 HA ARG 55 4.139 -0.994 -11.163 394 1HB ARG 55 1HB ARG 55 2.548 0.069 -13.335 395 2HB ARG 55 2HB ARG 55 3.825 -0.991 -13.980 396 1HG ARG 55 1HG ARG 55 2.661 -2.135 -11.569 397 2HG ARG 55 2HG ARG 55 1.397 -1.790 -12.773 398 1HD ARG 55 1HD ARG 55 2.831 -2.949 -14.496 399 2HD ARG 55 2HD ARG 55 3.934 -3.422 -13.185 400 HE ARG 55 HE ARG 55 1.326 -4.223 -12.445 401 1HH1 ARG 55 1HH1 ARG 55 1.512 -7.436 -13.888 402 2HH1 ARG 55 2HH1 ARG 55 0.673 -6.420 -12.738 403 1HH2 ARG 55 1HH2 ARG 55 3.281 -6.579 -15.120 404 2HH2 ARG 55 2HH2 ARG 55 3.776 -4.915 -14.899 405 H ASN 56 H ASN 56 5.121 1.289 -13.787 406 HA ASN 56 HA ASN 56 7.841 0.083 -13.625 407 1HB ASN 56 1HB ASN 56 6.375 1.475 -15.894 408 2HB ASN 56 2HB ASN 56 8.090 1.014 -15.948 409 1HD2 ASN 56 1HD2 ASN 56 4.835 -0.028 -16.390 410 2HD2 ASN 56 2HD2 ASN 56 5.159 -1.726 -16.664 411 H LEU 57 H LEU 57 9.646 1.446 -13.519 412 HA LEU 57 HA LEU 57 9.084 4.066 -12.336 413 1HB LEU 57 1HB LEU 57 10.762 2.680 -11.277 414 2HB LEU 57 2HB LEU 57 11.635 2.482 -12.815 415 HG LEU 57 HG LEU 57 12.008 4.954 -12.880 416 1HD1 LEU 57 1HD1 LEU 57 11.102 6.385 -11.350 417 2HD1 LEU 57 2HD1 LEU 57 9.933 5.068 -11.089 418 3HD1 LEU 57 3HD1 LEU 57 11.332 5.245 -10.003 419 1HD2 LEU 57 1HD2 LEU 57 13.662 5.007 -11.015 420 2HD2 LEU 57 2HD2 LEU 57 12.922 3.536 -10.340 421 3HD2 LEU 57 3HD2 LEU 57 13.729 3.479 -11.926 422 H SER 58 H SER 58 11.212 2.845 -14.990 423 HA SER 58 HA SER 58 11.964 5.249 -16.101 424 1HB SER 58 1HB SER 58 12.509 2.802 -16.782 425 2HB SER 58 2HB SER 58 11.080 2.934 -17.836 426 HG SER 58 HG SER 58 12.719 5.109 -17.981 427 H ASP 59 H ASP 59 8.889 3.474 -16.620 428 HA ASP 59 HA ASP 59 7.877 5.835 -18.120 429 1HB ASP 59 1HB ASP 59 7.815 3.550 -19.190 430 2HB ASP 59 2HB ASP 59 6.693 3.045 -17.908 431 HA PRO 60 HA PRO 60 5.375 6.895 -14.656 432 1HB PRO 60 1HB PRO 60 3.535 8.488 -15.880 433 2HB PRO 60 2HB PRO 60 5.263 8.954 -15.769 434 1HG PRO 60 1HG PRO 60 3.874 7.588 -18.092 435 2HG PRO 60 2HG PRO 60 4.886 9.068 -18.147 436 1HD PRO 60 1HD PRO 60 5.928 6.611 -18.703 437 2HD PRO 60 2HD PRO 60 6.871 7.804 -17.759 438 H ARG 61 H ARG 61 4.960 4.273 -15.490 439 HA ARG 61 HA ARG 61 2.218 3.847 -16.306 440 1HB ARG 61 1HB ARG 61 4.621 2.273 -15.764 441 2HB ARG 61 2HB ARG 61 3.160 1.507 -15.095 442 1HG ARG 61 1HG ARG 61 2.297 2.404 -17.575 443 2HG ARG 61 2HG ARG 61 3.970 1.891 -17.905 444 1HD ARG 61 1HD ARG 61 3.311 -0.257 -17.866 445 2HD ARG 61 2HD ARG 61 2.794 -0.060 -16.178 446 HE ARG 61 HE ARG 61 0.809 1.013 -17.939 447 1HH1 ARG 61 1HH1 ARG 61 -1.154 -1.917 -17.910 448 2HH1 ARG 61 2HH1 ARG 61 -1.123 -0.208 -18.281 449 1HH2 ARG 61 1HH2 ARG 61 0.744 -2.959 -17.075 450 2HH2 ARG 61 2HH2 ARG 61 2.206 -2.035 -16.815 451 H LEU 62 H LEU 62 1.192 5.275 -14.691 452 HA LEU 62 HA LEU 62 1.325 4.522 -11.892 453 1HB LEU 62 1HB LEU 62 0.324 6.696 -13.485 454 2HB LEU 62 2HB LEU 62 -0.997 6.082 -12.463 455 HG LEU 62 HG LEU 62 0.532 7.881 -11.426 456 1HD1 LEU 62 1HD1 LEU 62 0.002 7.045 -9.355 457 2HD1 LEU 62 2HD1 LEU 62 -0.915 5.866 -10.323 458 3HD1 LEU 62 3HD1 LEU 62 0.702 5.446 -9.707 459 1HD2 LEU 62 1HD2 LEU 62 2.416 5.646 -10.766 460 2HD2 LEU 62 2HD2 LEU 62 2.565 6.389 -12.376 461 3HD2 LEU 62 3HD2 LEU 62 2.728 7.392 -10.915 462 H GLU 63 H GLU 63 -0.086 3.273 -10.721 463 HA GLU 63 HA GLU 63 -2.454 2.187 -12.138 464 1HB GLU 63 1HB GLU 63 -0.337 0.539 -10.699 465 2HB GLU 63 2HB GLU 63 -1.881 -0.085 -11.328 466 1HG GLU 63 1HG GLU 63 0.389 1.162 -12.927 467 2HG GLU 63 2HG GLU 63 -0.144 -0.532 -12.967 468 H THR 64 H THR 64 -4.228 1.962 -10.843 469 HA THR 64 HA THR 64 -3.809 2.579 -7.956 470 HB THR 64 HB THR 64 -6.317 3.274 -8.198 471 HG1 THR 64 1HG THR 64 -6.956 3.710 -10.220 472 1HG2 THR 64 1HG2 THR 64 -5.442 5.353 -8.059 473 2HG2 THR 64 2HG2 THR 64 -3.853 4.622 -8.388 474 3HG2 THR 64 3HG2 THR 64 -4.829 5.270 -9.728 475 H ILE 65 H ILE 65 -4.769 1.279 -6.424 476 HA ILE 65 HA ILE 65 -6.458 -0.956 -7.397 477 HB ILE 65 HB ILE 65 -3.991 -1.614 -7.192 478 1HG1 ILE 65 1HG1 ILE 65 -6.030 -2.988 -5.387 479 2HG1 ILE 65 2HG1 ILE 65 -5.863 -3.239 -7.142 480 1HG2 ILE 65 1HG2 ILE 65 -3.813 -0.175 -5.024 481 2HG2 ILE 65 2HG2 ILE 65 -4.559 -1.575 -4.216 482 3HG2 ILE 65 3HG2 ILE 65 -2.998 -1.758 -5.052 483 1HD1 ILE 65 1HD1 ILE 65 -3.382 -3.814 -6.610 484 2HD1 ILE 65 2HD1 ILE 65 -3.934 -3.985 -4.926 485 3HD1 ILE 65 3HD1 ILE 65 -4.624 -5.021 -6.199 486 H THR 66 H THR 66 -8.222 -1.231 -6.146 487 HA THR 66 HA THR 66 -8.268 0.227 -3.556 488 HB THR 66 HB THR 66 -10.522 -0.800 -5.326 489 HG1 THR 66 1HG THR 66 -9.528 1.806 -4.786 490 1HG2 THR 66 1HG2 THR 66 -11.780 0.864 -3.726 491 2HG2 THR 66 2HG2 THR 66 -11.421 -0.785 -3.158 492 3HG2 THR 66 3HG2 THR 66 -10.401 0.578 -2.638 493 H LEU 67 H LEU 67 -8.190 -0.909 -1.715 494 HA LEU 67 HA LEU 67 -8.545 -3.842 -1.878 495 1HB LEU 67 1HB LEU 67 -7.490 -2.114 0.393 496 2HB LEU 67 2HB LEU 67 -7.391 -3.886 0.261 497 HG LEU 67 HG LEU 67 -6.278 -2.204 -1.974 498 1HD1 LEU 67 1HD1 LEU 67 -4.288 -2.906 0.058 499 2HD1 LEU 67 2HD1 LEU 67 -4.560 -1.355 -0.771 500 3HD1 LEU 67 3HD1 LEU 67 -5.501 -1.764 0.684 501 1HD2 LEU 67 1HD2 LEU 67 -6.447 -4.916 -1.424 502 2HD2 LEU 67 2HD2 LEU 67 -5.301 -4.168 -2.562 503 3HD2 LEU 67 3HD2 LEU 67 -4.797 -4.516 -0.891 504 H GLN 68 H GLN 68 -10.350 -4.805 -1.156 505 HA GLN 68 HA GLN 68 -12.419 -3.160 0.093 506 1HB GLN 68 1HB GLN 68 -12.377 -6.122 -0.609 507 2HB GLN 68 2HB GLN 68 -13.809 -5.153 -0.188 508 1HG GLN 68 1HG GLN 68 -12.056 -4.973 -2.653 509 2HG GLN 68 2HG GLN 68 -13.815 -5.208 -2.557 510 1HE2 GLN 68 1HE2 GLN 68 -14.992 -3.340 -1.322 511 2HE2 GLN 68 2HE2 GLN 68 -14.503 -1.721 -1.774 512 H LYS 69 H LYS 69 -13.719 -4.595 1.875 513 HA LYS 69 HA LYS 69 -12.207 -4.414 4.233 514 1HB LYS 69 1HB LYS 69 -14.566 -6.280 3.836 515 2HB LYS 69 2HB LYS 69 -14.087 -5.401 5.308 516 1HG LYS 69 1HG LYS 69 -15.520 -3.774 4.665 517 2HG LYS 69 2HG LYS 69 -14.368 -3.398 3.362 518 1HD LYS 69 1HD LYS 69 -15.506 -5.153 1.949 519 2HD LYS 69 2HD LYS 69 -16.733 -5.313 3.229 520 1HE LYS 69 1HE LYS 69 -17.603 -3.189 2.850 521 2HE LYS 69 2HE LYS 69 -16.082 -2.572 2.170 522 1HZ LYS 69 1HZ LYS 69 -17.918 -2.973 0.577 523 2HZ LYS 69 2HZ LYS 69 -16.485 -3.695 0.193 524 3HZ LYS 69 3HZ LYS 69 -17.718 -4.592 0.823 525 H TRP 70 H TRP 70 -10.737 -5.699 5.199 526 HA TRP 70 HA TRP 70 -9.324 -7.470 5.526 527 1HB TRP 70 1HB TRP 70 -11.681 -9.148 4.627 528 2HB TRP 70 2HB TRP 70 -10.330 -9.659 5.647 529 HD1 TRP 70 HD TRP 70 -13.790 -8.572 5.867 530 HE1 TRP 70 1HE TRP 70 -14.456 -7.896 8.230 531 HE3 TRP 70 3HE TRP 70 -9.127 -8.207 7.946 532 HZ2 TRP 70 2HZ TRP 70 -13.134 -7.271 10.728 533 HZ3 TRP 70 3HZ TRP 70 -8.871 -7.570 10.316 534 HH2 TRP 70 HH TRP 70 -10.859 -7.099 11.717 535 H GLY 71 H GLY 71 -9.539 -6.191 2.828 536 1HA GLY 71 1HA GLY 71 -9.071 -8.385 0.946 537 2HA GLY 71 2HA GLY 71 -9.014 -6.641 0.602 538 H SER 72 H SER 72 -7.077 -8.672 -0.223 539 HA SER 72 HA SER 72 -4.686 -7.465 1.052 540 1HB SER 72 1HB SER 72 -4.413 -10.316 0.328 541 2HB SER 72 2HB SER 72 -3.837 -9.441 1.767 542 HG SER 72 HG SER 72 -6.294 -10.687 1.283 543 H TRP 73 H TRP 73 -2.743 -7.653 -0.306 544 HA TRP 73 HA TRP 73 -3.432 -8.060 -3.178 545 1HB TRP 73 1HB TRP 73 -3.240 -5.650 -2.438 546 2HB TRP 73 2HB TRP 73 -1.544 -5.975 -2.052 547 HD1 TRP 73 HD TRP 73 -3.107 -7.463 -5.185 548 HE1 TRP 73 1HE TRP 73 -2.071 -6.419 -7.264 549 HE3 TRP 73 3HE TRP 73 -0.355 -3.773 -2.948 550 HZ2 TRP 73 2HZ TRP 73 -0.265 -4.247 -7.892 551 HZ3 TRP 73 3HZ TRP 73 1.009 -2.238 -4.317 552 HH2 TRP 73 HH TRP 73 1.065 -2.461 -6.784 553 H ASN 74 H ASN 74 -1.875 -9.060 -4.449 554 HA ASN 74 HA ASN 74 0.757 -9.648 -3.309 555 1HB ASN 74 1HB ASN 74 0.392 -12.133 -3.699 556 2HB ASN 74 2HB ASN 74 -0.440 -11.444 -2.289 557 1HD2 ASN 74 1HD2 ASN 74 -2.718 -11.188 -2.310 558 2HD2 ASN 74 2HD2 ASN 74 -3.722 -11.984 -3.502 559 HA PRO 75 HA PRO 75 0.548 -9.089 -7.897 560 1HB PRO 75 1HB PRO 75 2.505 -7.202 -8.080 561 2HB PRO 75 2HB PRO 75 0.835 -6.787 -7.570 562 1HG PRO 75 1HG PRO 75 3.213 -7.368 -5.781 563 2HG PRO 75 2HG PRO 75 2.128 -5.941 -5.719 564 1HD PRO 75 1HD PRO 75 1.730 -8.100 -4.103 565 2HD PRO 75 2HD PRO 75 0.339 -7.256 -4.849 566 H GLY 76 H GLY 76 3.774 -8.466 -6.438 567 1HA GLY 76 1HA GLY 76 5.048 -10.799 -6.314 568 2HA GLY 76 2HA GLY 76 4.876 -10.653 -8.078 569 H HIS 77 H HIS 77 5.852 -8.640 -5.242 570 HA HIS 77 HA HIS 77 7.649 -7.252 -4.943 571 1HB HIS 77 1HB HIS 77 9.175 -8.925 -5.520 572 2HB HIS 77 2HB HIS 77 8.612 -9.000 -7.200 573 HD1 HIS 77 1HD HIS 77 9.359 -5.530 -5.899 574 HD2 HIS 77 2HD HIS 77 11.252 -8.691 -7.955 575 HE1 HIS 77 1HE HIS 77 11.498 -4.555 -6.937 576 HE2 HIS 77 2HE HIS 77 12.639 -6.484 -8.183 577 H ILE 78 H ILE 78 6.519 -5.340 -5.335 578 HA ILE 78 HA ILE 78 6.299 -4.388 -8.112 579 HB ILE 78 HB ILE 78 5.432 -3.131 -5.479 580 1HG1 ILE 78 1HG1 ILE 78 4.445 -5.434 -6.561 581 2HG1 ILE 78 2HG1 ILE 78 3.454 -4.269 -5.651 582 1HG2 ILE 78 1HG2 ILE 78 4.975 -2.467 -8.408 583 2HG2 ILE 78 2HG2 ILE 78 3.897 -1.876 -7.122 584 3HG2 ILE 78 3HG2 ILE 78 5.615 -1.411 -7.126 585 1HD1 ILE 78 1HD1 ILE 78 2.609 -3.268 -7.630 586 2HD1 ILE 78 2HD1 ILE 78 3.883 -3.991 -8.641 587 3HD1 ILE 78 3HD1 ILE 78 2.586 -5.014 -7.977 588 H HIS 79 H HIS 79 7.141 -2.300 -8.758 589 HA HIS 79 HA HIS 79 9.857 -1.931 -8.178 590 1HB HIS 79 1HB HIS 79 9.081 -0.985 -10.168 591 2HB HIS 79 2HB HIS 79 7.692 -0.215 -9.379 592 HD1 HIS 79 1HD HIS 79 11.491 0.158 -8.606 593 HD2 HIS 79 2HD HIS 79 8.029 2.346 -9.620 594 HE1 HIS 79 1HE HIS 79 12.157 2.640 -8.578 595 HE2 HIS 79 2HE HIS 79 10.046 3.958 -9.195 596 H GLU 80 H GLU 80 7.413 0.582 -7.382 597 HA GLU 80 HA GLU 80 8.195 0.622 -4.582 598 1HB GLU 80 1HB GLU 80 10.095 1.797 -5.748 599 2HB GLU 80 2HB GLU 80 8.921 3.005 -6.325 600 1HG GLU 80 1HG GLU 80 8.345 2.824 -3.615 601 2HG GLU 80 2HG GLU 80 10.113 2.658 -3.653 602 H ILE 81 H ILE 81 6.800 1.922 -3.320 603 HA ILE 81 HA ILE 81 4.229 2.430 -4.601 604 HB ILE 81 HB ILE 81 5.223 2.772 -1.745 605 1HG1 ILE 81 1HG1 ILE 81 5.133 0.432 -2.704 606 2HG1 ILE 81 2HG1 ILE 81 4.041 0.697 -1.324 607 1HG2 ILE 81 1HG2 ILE 81 3.365 4.260 -2.042 608 2HG2 ILE 81 2HG2 ILE 81 2.485 3.073 -3.034 609 3HG2 ILE 81 3HG2 ILE 81 2.702 2.789 -1.290 610 1HD1 ILE 81 1HD1 ILE 81 3.395 -0.055 -4.058 611 2HD1 ILE 81 2HD1 ILE 81 2.338 -0.002 -2.627 612 3HD1 ILE 81 3HD1 ILE 81 2.569 1.459 -3.617 613 H LEU 82 H LEU 82 3.302 4.397 -5.033 614 HA LEU 82 HA LEU 82 5.132 6.698 -5.022 615 1HB LEU 82 1HB LEU 82 2.293 6.441 -6.087 616 2HB LEU 82 2HB LEU 82 3.460 7.735 -6.450 617 HG LEU 82 HG LEU 82 3.339 4.926 -7.463 618 1HD1 LEU 82 1HD1 LEU 82 4.062 7.690 -8.437 619 2HD1 LEU 82 2HD1 LEU 82 4.630 6.264 -9.338 620 3HD1 LEU 82 3HD1 LEU 82 2.886 6.531 -9.103 621 1HD2 LEU 82 1HD2 LEU 82 5.868 5.132 -7.943 622 2HD2 LEU 82 2HD2 LEU 82 5.891 6.354 -6.649 623 3HD2 LEU 82 3HD2 LEU 82 5.394 4.684 -6.287 624 H SER 83 H SER 83 1.649 6.255 -4.169 625 HA SER 83 HA SER 83 2.136 7.709 -1.647 626 1HB SER 83 1HB SER 83 1.513 9.308 -3.602 627 2HB SER 83 2HB SER 83 -0.109 8.584 -3.475 628 HG SER 83 HG SER 83 1.164 10.346 -1.820 629 H ILE 84 H ILE 84 0.008 7.759 -0.342 630 HA ILE 84 HA ILE 84 -1.587 5.313 -0.919 631 HB ILE 84 HB ILE 84 -0.162 6.132 1.622 632 1HG1 ILE 84 1HG1 ILE 84 -0.489 3.444 0.228 633 2HG1 ILE 84 2HG1 ILE 84 0.871 4.553 -0.067 634 1HG2 ILE 84 1HG2 ILE 84 -2.650 4.428 1.268 635 2HG2 ILE 84 2HG2 ILE 84 -1.550 4.216 2.650 636 3HG2 ILE 84 3HG2 ILE 84 -2.383 5.769 2.407 637 1HD1 ILE 84 1HD1 ILE 84 1.280 4.519 2.457 638 2HD1 ILE 84 2HD1 ILE 84 0.116 3.174 2.537 639 3HD1 ILE 84 3HD1 ILE 84 1.620 2.996 1.601 640 H ARG 85 H ARG 85 -3.749 5.602 -0.759 641 HA ARG 85 HA ARG 85 -4.683 8.110 0.557 642 1HB ARG 85 1HB ARG 85 -4.819 8.257 -1.907 643 2HB ARG 85 2HB ARG 85 -5.777 6.757 -1.941 644 1HG ARG 85 1HG ARG 85 -7.673 7.817 -1.267 645 2HG ARG 85 2HG ARG 85 -6.804 8.796 -0.061 646 1HD ARG 85 1HD ARG 85 -5.926 9.680 -2.618 647 2HD ARG 85 2HD ARG 85 -7.694 9.541 -2.711 648 HE ARG 85 HE ARG 85 -6.259 11.593 -1.392 649 1HH1 ARG 85 1HH1 ARG 85 -8.876 12.503 0.789 650 2HH1 ARG 85 2HH1 ARG 85 -7.363 13.003 0.068 651 1HH2 ARG 85 1HH2 ARG 85 -9.774 10.425 0.281 652 2HH2 ARG 85 2HH2 ARG 85 -8.938 9.357 -0.824 653 H ILE 86 H ILE 86 -6.169 7.836 2.124 654 HA ILE 86 HA ILE 86 -7.440 5.147 2.329 655 HB ILE 86 HB ILE 86 -6.923 7.130 4.572 656 1HG1 ILE 86 1HG1 ILE 86 -5.294 4.671 3.810 657 2HG1 ILE 86 2HG1 ILE 86 -4.805 6.344 3.450 658 1HG2 ILE 86 1HG2 ILE 86 -6.992 4.399 5.389 659 2HG2 ILE 86 2HG2 ILE 86 -8.186 5.672 5.738 660 3HG2 ILE 86 3HG2 ILE 86 -8.376 4.646 4.296 661 1HD1 ILE 86 1HD1 ILE 86 -3.840 5.335 5.598 662 2HD1 ILE 86 2HD1 ILE 86 -4.666 6.901 5.779 663 3HD1 ILE 86 3HD1 ILE 86 -5.492 5.399 6.257 664 H TYR 87 H TYR 87 -9.639 5.027 2.447 665 HA TYR 87 HA TYR 87 -11.116 7.493 1.893 666 1HB TYR 87 1HB TYR 87 -11.840 4.557 2.059 667 2HB TYR 87 2HB TYR 87 -13.049 5.827 1.809 668 HD1 TYR 87 1HD TYR 87 -13.746 6.025 -0.380 669 HD2 TYR 87 2HD TYR 87 -9.643 5.029 0.412 670 HE1 TYR 87 1HE TYR 87 -13.286 5.983 -2.817 671 HE2 TYR 87 2HE TYR 87 -9.183 4.987 -2.025 672 HH TYR 87 HH TYR 87 -10.015 5.486 -4.124 Start of MODEL 27 1 H MET 1 H MET 1 -1.048 14.571 9.196 2 HA MET 1 HA MET 1 -3.108 12.902 9.776 3 1HB MET 1 1HB MET 1 -1.688 13.015 7.087 4 2HB MET 1 2HB MET 1 -3.386 12.563 7.372 5 1HG MET 1 1HG MET 1 -3.108 15.005 8.688 6 2HG MET 1 2HG MET 1 -2.144 15.214 7.217 7 1HE MET 1 1HE MET 1 -5.441 17.049 7.425 8 2HE MET 1 2HE MET 1 -3.662 17.118 7.424 9 3HE MET 1 3HE MET 1 -4.558 17.217 5.889 10 H ILE 2 H ILE 2 -2.078 11.098 7.246 11 HA ILE 2 HA ILE 2 -2.082 8.645 8.482 12 HB ILE 2 HB ILE 2 -2.080 8.953 6.049 13 1HG1 ILE 2 1HG1 ILE 2 0.381 7.373 6.901 14 2HG1 ILE 2 2HG1 ILE 2 -1.289 6.792 7.105 15 1HG2 ILE 2 1HG2 ILE 2 -0.319 10.824 6.185 16 2HG2 ILE 2 2HG2 ILE 2 0.896 9.526 6.265 17 3HG2 ILE 2 3HG2 ILE 2 -0.153 9.675 4.835 18 1HD1 ILE 2 1HD1 ILE 2 -1.296 6.082 4.968 19 2HD1 ILE 2 2HD1 ILE 2 -1.016 7.751 4.417 20 3HD1 ILE 2 3HD1 ILE 2 0.366 6.682 4.758 21 H ASN 3 H ASN 3 -0.640 7.318 9.545 22 HA ASN 3 HA ASN 3 2.121 8.323 9.928 23 1HB ASN 3 1HB ASN 3 0.008 8.435 11.884 24 2HB ASN 3 2HB ASN 3 1.231 7.259 12.414 25 1HD2 ASN 3 1HD2 ASN 3 0.372 10.368 12.818 26 2HD2 ASN 3 2HD2 ASN 3 1.939 11.125 13.011 27 H ARG 4 H ARG 4 3.645 6.706 10.214 28 HA ARG 4 HA ARG 4 2.844 4.067 9.331 29 1HB ARG 4 1HB ARG 4 5.398 5.482 10.034 30 2HB ARG 4 2HB ARG 4 5.393 3.702 10.011 31 1HG ARG 4 1HG ARG 4 4.417 3.768 7.711 32 2HG ARG 4 2HG ARG 4 4.534 5.544 7.739 33 1HD ARG 4 1HD ARG 4 7.058 5.020 8.411 34 2HD ARG 4 2HD ARG 4 6.716 3.479 7.595 35 HE ARG 4 HE ARG 4 5.801 5.463 5.860 36 1HH1 ARG 4 1HH1 ARG 4 8.864 6.148 4.250 37 2HH1 ARG 4 2HH1 ARG 4 7.122 6.273 4.146 38 1HH2 ARG 4 1HH2 ARG 4 9.848 5.171 6.110 39 2HH2 ARG 4 2HH2 ARG 4 8.849 4.558 7.408 40 H THR 5 H THR 5 1.786 2.728 10.685 41 HA THR 5 HA THR 5 2.683 2.668 13.526 42 HB THR 5 HB THR 5 0.310 3.330 13.111 43 HG1 THR 5 1HG THR 5 0.916 2.171 14.990 44 1HG2 THR 5 1HG2 THR 5 0.433 0.788 11.543 45 2HG2 THR 5 2HG2 THR 5 -1.050 1.071 12.485 46 3HG2 THR 5 3HG2 THR 5 -0.534 2.256 11.262 47 H ASP 6 H ASP 6 2.994 0.633 14.535 48 HA ASP 6 HA ASP 6 3.787 -1.469 12.621 49 1HB ASP 6 1HB ASP 6 5.101 -0.472 14.730 50 2HB ASP 6 2HB ASP 6 4.164 -1.719 15.581 51 H CYS 7 H CYS 7 0.973 -0.988 12.918 52 HA CYS 7 HA CYS 7 -0.995 -2.050 13.451 53 1HB CYS 7 1HB CYS 7 -0.284 -4.746 13.516 54 2HB CYS 7 2HB CYS 7 -0.820 -3.821 12.104 55 H ASN 8 H ASN 8 -1.243 -1.271 15.592 56 HA ASN 8 HA ASN 8 -0.068 -2.780 17.799 57 1HB ASN 8 1HB ASN 8 -1.559 -1.169 19.131 58 2HB ASN 8 2HB ASN 8 -0.254 -0.449 18.163 59 1HD2 ASN 8 1HD2 ASN 8 -0.778 0.568 16.119 60 2HD2 ASN 8 2HD2 ASN 8 -2.394 1.173 15.824 61 H GLU 9 H GLU 9 -3.299 -2.295 16.314 62 HA GLU 9 HA GLU 9 -4.430 -4.318 18.143 63 1HB GLU 9 1HB GLU 9 -5.576 -2.374 16.120 64 2HB GLU 9 2HB GLU 9 -6.556 -3.677 16.834 65 1HG GLU 9 1HG GLU 9 -5.224 -2.544 19.021 66 2HG GLU 9 2HG GLU 9 -5.665 -1.148 18.014 67 H ASN 10 H ASN 10 -5.663 -3.971 14.889 68 HA ASN 10 HA ASN 10 -4.337 -5.716 13.316 69 1HB ASN 10 1HB ASN 10 -5.470 -7.145 15.639 70 2HB ASN 10 2HB ASN 10 -5.888 -7.861 14.067 71 1HD2 ASN 10 1HD2 ASN 10 -4.567 -9.713 14.547 72 2HD2 ASN 10 2HD2 ASN 10 -2.823 -9.623 14.432 73 H SER 11 H SER 11 -5.685 -3.967 12.265 74 HA SER 11 HA SER 11 -7.801 -5.137 10.805 75 1HB SER 11 1HB SER 11 -9.756 -4.104 11.719 76 2HB SER 11 2HB SER 11 -8.921 -4.886 13.083 77 HG SER 11 HG SER 11 -7.955 -2.824 13.504 78 H TYR 12 H TYR 12 -5.626 -3.871 9.921 79 HA TYR 12 HA TYR 12 -6.764 -1.425 8.737 80 1HB TYR 12 1HB TYR 12 -3.979 -1.375 9.904 81 2HB TYR 12 2HB TYR 12 -4.971 -0.018 9.342 82 HD1 TYR 12 1HD TYR 12 -7.284 0.257 10.652 83 HD2 TYR 12 2HD TYR 12 -3.790 -1.715 12.186 84 HE1 TYR 12 1HE TYR 12 -8.093 0.626 12.967 85 HE2 TYR 12 2HE TYR 12 -4.599 -1.347 14.501 86 HH TYR 12 HH TYR 12 -6.395 0.589 15.601 87 H LEU 13 H LEU 13 -4.566 -0.547 7.339 88 HA LEU 13 HA LEU 13 -4.179 -2.796 5.472 89 1HB LEU 13 1HB LEU 13 -4.781 -0.975 4.208 90 2HB LEU 13 2HB LEU 13 -4.076 0.190 5.354 91 HG LEU 13 HG LEU 13 -1.807 -1.037 4.575 92 1HD1 LEU 13 1HD1 LEU 13 -2.417 -1.054 1.887 93 2HD1 LEU 13 2HD1 LEU 13 -2.297 -2.508 2.907 94 3HD1 LEU 13 3HD1 LEU 13 -3.886 -1.769 2.595 95 1HD2 LEU 13 1HD2 LEU 13 -2.213 0.787 2.492 96 2HD2 LEU 13 2HD2 LEU 13 -3.312 1.351 3.773 97 3HD2 LEU 13 3HD2 LEU 13 -1.574 1.165 4.109 98 H GLU 14 H GLU 14 -2.258 -3.804 5.129 99 HA GLU 14 HA GLU 14 0.168 -2.597 6.343 100 1HB GLU 14 1HB GLU 14 -0.607 -5.523 6.619 101 2HB GLU 14 2HB GLU 14 0.788 -4.698 7.354 102 1HG GLU 14 1HG GLU 14 -0.598 -4.487 9.151 103 2HG GLU 14 2HG GLU 14 -1.254 -3.113 8.234 104 H ILE 15 H ILE 15 1.603 -2.339 4.749 105 HA ILE 15 HA ILE 15 1.498 -4.217 2.450 106 HB ILE 15 HB ILE 15 2.847 -1.503 2.730 107 1HG1 ILE 15 1HG1 ILE 15 0.404 -2.128 1.060 108 2HG1 ILE 15 2HG1 ILE 15 0.231 -1.719 2.783 109 1HG2 ILE 15 1HG2 ILE 15 3.453 -3.516 0.974 110 2HG2 ILE 15 2HG2 ILE 15 2.164 -2.671 0.083 111 3HG2 ILE 15 3HG2 ILE 15 3.619 -1.784 0.598 112 1HD1 ILE 15 1HD1 ILE 15 0.113 0.235 1.098 113 2HD1 ILE 15 2HD1 ILE 15 1.213 0.429 2.484 114 3HD1 ILE 15 3HD1 ILE 15 1.864 -0.003 0.884 115 H HIS 16 H HIS 16 2.991 -5.779 2.338 116 HA HIS 16 HA HIS 16 5.566 -5.328 3.775 117 1HB HIS 16 1HB HIS 16 5.615 -7.695 4.256 118 2HB HIS 16 2HB HIS 16 4.077 -7.025 4.830 119 HD1 HIS 16 1HD HIS 16 5.472 -9.451 2.237 120 HD2 HIS 16 2HD HIS 16 1.823 -7.760 3.513 121 HE1 HIS 16 1HE HIS 16 3.600 -10.822 1.130 122 HE2 HIS 16 2HE HIS 16 1.390 -9.785 1.912 123 H ASN 17 H ASN 17 6.938 -4.732 2.157 124 HA ASN 17 HA ASN 17 6.847 -6.280 -0.372 125 1HB ASN 17 1HB ASN 17 8.345 -4.453 -1.194 126 2HB ASN 17 2HB ASN 17 6.758 -3.875 -0.642 127 1HD2 ASN 17 1HD2 ASN 17 6.603 -2.519 1.145 128 2HD2 ASN 17 2HD2 ASN 17 8.001 -1.873 1.978 129 H ASN 18 H ASN 18 9.407 -6.068 -1.271 130 HA ASN 18 HA ASN 18 11.443 -7.106 -1.150 131 1HB ASN 18 1HB ASN 18 11.108 -6.271 1.750 132 2HB ASN 18 2HB ASN 18 12.598 -6.993 1.105 133 1HD2 ASN 18 1HD2 ASN 18 11.832 -4.203 2.179 134 2HD2 ASN 18 2HD2 ASN 18 12.419 -3.106 0.947 135 H GLU 19 H GLU 19 9.018 -8.702 -0.968 136 HA GLU 19 HA GLU 19 8.481 -10.906 -0.655 137 1HB GLU 19 1HB GLU 19 11.404 -11.074 0.169 138 2HB GLU 19 2HB GLU 19 10.336 -12.483 -0.037 139 1HG GLU 19 1HG GLU 19 9.916 -11.832 -2.380 140 2HG GLU 19 2HG GLU 19 10.960 -10.408 -2.178 141 H GLY 20 H GLY 20 8.305 -8.788 1.489 142 1HA GLY 20 1HA GLY 20 7.210 -8.922 3.554 143 2HA GLY 20 2HA GLY 20 7.639 -10.644 3.668 144 H ARG 21 H ARG 21 9.820 -7.889 2.984 145 HA ARG 21 HA ARG 21 11.488 -8.738 5.265 146 1HB ARG 21 1HB ARG 21 12.203 -8.132 2.765 147 2HB ARG 21 2HB ARG 21 12.221 -6.482 3.431 148 1HG ARG 21 1HG ARG 21 13.569 -8.754 4.908 149 2HG ARG 21 2HG ARG 21 14.405 -7.913 3.580 150 1HD ARG 21 1HD ARG 21 14.084 -5.758 4.714 151 2HD ARG 21 2HD ARG 21 13.180 -6.558 6.017 152 HE ARG 21 HE ARG 21 15.179 -7.268 6.949 153 1HH1 ARG 21 1HH1 ARG 21 18.457 -6.910 5.697 154 2HH1 ARG 21 2HH1 ARG 21 17.484 -7.362 7.079 155 1HH2 ARG 21 1HH2 ARG 21 17.433 -6.218 3.734 156 2HH2 ARG 21 2HH2 ARG 21 15.688 -6.147 3.635 157 H ASP 22 H ASP 22 9.874 -5.799 3.954 158 HA ASP 22 HA ASP 22 9.924 -4.705 6.726 159 1HB ASP 22 1HB ASP 22 10.458 -3.337 4.073 160 2HB ASP 22 2HB ASP 22 10.017 -2.439 5.542 161 H THR 23 H THR 23 7.905 -4.587 7.503 162 HA THR 23 HA THR 23 5.679 -4.331 5.554 163 HB THR 23 HB THR 23 5.772 -5.230 8.459 164 HG1 THR 23 1HG THR 23 5.693 -7.176 7.622 165 1HG2 THR 23 1HG2 THR 23 3.650 -4.247 8.267 166 2HG2 THR 23 2HG2 THR 23 3.511 -4.652 6.539 167 3HG2 THR 23 3HG2 THR 23 3.332 -5.926 7.769 168 H LEU 24 H LEU 24 4.024 -2.777 5.879 169 HA LEU 24 HA LEU 24 4.652 -0.642 7.847 170 1HB LEU 24 1HB LEU 24 3.733 0.003 5.041 171 2HB LEU 24 2HB LEU 24 4.519 1.062 6.236 172 HG LEU 24 HG LEU 24 6.268 -1.154 5.781 173 1HD1 LEU 24 1HD1 LEU 24 4.660 -0.923 3.563 174 2HD1 LEU 24 2HD1 LEU 24 5.981 0.197 3.154 175 3HD1 LEU 24 3HD1 LEU 24 6.342 -1.506 3.528 176 1HD2 LEU 24 1HD2 LEU 24 6.926 1.129 6.437 177 2HD2 LEU 24 2HD2 LEU 24 7.756 0.651 4.936 178 3HD2 LEU 24 3HD2 LEU 24 6.361 1.754 4.869 179 H CYS 25 H CYS 25 2.941 -0.652 9.184 180 HA CYS 25 HA CYS 25 0.274 -1.296 8.079 181 1HB CYS 25 1HB CYS 25 0.924 -0.765 10.973 182 2HB CYS 25 2HB CYS 25 -0.368 -1.762 10.283 183 H PHE 26 H PHE 26 -1.000 0.329 7.428 184 HA PHE 26 HA PHE 26 -0.557 3.006 8.654 185 1HB PHE 26 1HB PHE 26 -1.754 2.154 5.998 186 2HB PHE 26 2HB PHE 26 -1.743 3.821 6.599 187 HD1 PHE 26 1HD PHE 26 0.099 1.271 4.848 188 HD2 PHE 26 2HD PHE 26 0.520 4.916 7.081 189 HE1 PHE 26 1HE PHE 26 2.358 1.602 3.880 190 HE2 PHE 26 2HE PHE 26 2.779 5.248 6.113 191 HZ PHE 26 HZ PHE 26 3.698 3.591 4.513 192 H ALA 27 H ALA 27 -2.412 4.279 9.219 193 HA ALA 27 HA ALA 27 -4.978 2.813 9.379 194 1HB ALA 27 1HB ALA 27 -4.042 2.303 11.510 195 2HB ALA 27 2HB ALA 27 -3.397 3.951 11.705 196 3HB ALA 27 3HB ALA 27 -5.152 3.667 11.789 197 H ASN 28 H ASN 28 -6.681 4.430 10.381 198 HA ASN 28 HA ASN 28 -7.815 6.410 10.173 199 1HB ASN 28 1HB ASN 28 -4.954 7.360 10.050 200 2HB ASN 28 2HB ASN 28 -6.291 8.496 9.766 201 1HD2 ASN 28 1HD2 ASN 28 -4.744 6.332 12.115 202 2HD2 ASN 28 2HD2 ASN 28 -5.537 6.983 13.534 203 H ALA 29 H ALA 29 -8.853 7.548 8.531 204 HA ALA 29 HA ALA 29 -8.511 6.550 5.888 205 1HB ALA 29 1HB ALA 29 -9.931 9.093 6.760 206 2HB ALA 29 2HB ALA 29 -10.246 8.128 5.298 207 3HB ALA 29 3HB ALA 29 -10.630 7.462 6.904 208 H GLY 30 H GLY 30 -6.629 8.729 7.636 209 1HA GLY 30 1HA GLY 30 -6.013 10.871 6.062 210 2HA GLY 30 2HA GLY 30 -4.778 9.926 6.924 211 H THR 31 H THR 31 -4.349 11.276 4.422 212 HA THR 31 HA THR 31 -3.623 8.918 2.788 213 HB THR 31 HB THR 31 -5.178 11.346 1.827 214 HG1 THR 31 1HG THR 31 -6.739 9.962 1.805 215 1HG2 THR 31 1HG2 THR 31 -3.298 10.832 0.292 216 2HG2 THR 31 2HG2 THR 31 -3.825 9.133 0.224 217 3HG2 THR 31 3HG2 THR 31 -4.866 10.415 -0.440 218 H MET 32 H MET 32 -1.486 9.013 2.470 219 HA MET 32 HA MET 32 -0.272 11.645 1.872 220 1HB MET 32 1HB MET 32 1.509 11.306 3.477 221 2HB MET 32 2HB MET 32 -0.046 11.182 4.335 222 1HG MET 32 1HG MET 32 0.049 8.773 4.304 223 2HG MET 32 2HG MET 32 1.461 8.788 3.234 224 1HE MET 32 1HE MET 32 2.338 7.241 6.762 225 2HE MET 32 2HE MET 32 1.296 6.994 5.341 226 3HE MET 32 3HE MET 32 3.061 7.111 5.141 227 HA PRO 33 HA PRO 33 1.972 9.345 -1.114 228 1HB PRO 33 1HB PRO 33 4.301 10.744 -1.317 229 2HB PRO 33 2HB PRO 33 2.722 11.464 -1.775 230 1HG PRO 33 1HG PRO 33 4.171 11.743 0.874 231 2HG PRO 33 2HG PRO 33 3.529 13.061 -0.160 232 1HD PRO 33 1HD PRO 33 2.095 12.073 1.937 233 2HD PRO 33 2HD PRO 33 1.281 12.495 0.400 234 H VAL 34 H VAL 34 3.045 7.440 -1.014 235 HA VAL 34 HA VAL 34 5.118 7.122 1.098 236 HB VAL 34 HB VAL 34 4.255 4.962 1.674 237 1HG1 VAL 34 1HG1 VAL 34 1.584 6.132 1.550 238 2HG1 VAL 34 2HG1 VAL 34 2.628 5.850 2.964 239 3HG1 VAL 34 3HG1 VAL 34 2.796 7.348 2.017 240 1HG2 VAL 34 1HG2 VAL 34 2.105 5.339 -0.447 241 2HG2 VAL 34 2HG2 VAL 34 3.606 4.425 -0.735 242 3HG2 VAL 34 3HG2 VAL 34 2.453 3.875 0.505 243 H ALA 35 H ALA 35 6.640 5.338 0.629 244 HA ALA 35 HA ALA 35 6.811 4.752 -2.286 245 1HB ALA 35 1HB ALA 35 9.237 5.095 -2.152 246 2HB ALA 35 2HB ALA 35 8.377 6.574 -1.662 247 3HB ALA 35 3HB ALA 35 9.098 5.514 -0.427 248 H ILE 36 H ILE 36 6.492 2.612 -2.473 249 HA ILE 36 HA ILE 36 7.980 0.846 -0.596 250 HB ILE 36 HB ILE 36 5.079 0.708 -1.465 251 1HG1 ILE 36 1HG1 ILE 36 5.793 -0.012 1.275 252 2HG1 ILE 36 2HG1 ILE 36 6.408 1.603 0.848 253 1HG2 ILE 36 1HG2 ILE 36 5.240 -1.570 -0.186 254 2HG2 ILE 36 2HG2 ILE 36 5.764 -1.505 -1.885 255 3HG2 ILE 36 3HG2 ILE 36 6.973 -1.479 -0.579 256 1HD1 ILE 36 1HD1 ILE 36 3.827 1.065 1.667 257 2HD1 ILE 36 2HD1 ILE 36 4.317 2.494 0.725 258 3HD1 ILE 36 3HD1 ILE 36 3.658 1.064 -0.105 259 H TYR 37 H TYR 37 9.505 -0.115 -1.809 260 HA TYR 37 HA TYR 37 8.840 -0.771 -4.628 261 1HB TYR 37 1HB TYR 37 11.497 -0.678 -3.159 262 2HB TYR 37 2HB TYR 37 11.279 -1.020 -4.884 263 HD1 TYR 37 1HD TYR 37 10.874 1.596 -2.263 264 HD2 TYR 37 2HD TYR 37 11.040 0.731 -6.467 265 HE1 TYR 37 1HE TYR 37 10.994 4.024 -2.758 266 HE2 TYR 37 2HE TYR 37 11.159 3.158 -6.963 267 HH TYR 37 HH TYR 37 10.965 5.288 -6.084 268 H GLY 38 H GLY 38 8.696 -2.853 -5.320 269 1HA GLY 38 1HA GLY 38 8.925 -5.162 -5.284 270 2HA GLY 38 2HA GLY 38 9.858 -5.035 -3.776 271 H VAL 39 H VAL 39 6.506 -4.379 -4.958 272 HA VAL 39 HA VAL 39 5.409 -5.001 -2.325 273 HB VAL 39 HB VAL 39 4.042 -4.456 -4.990 274 1HG1 VAL 39 1HG1 VAL 39 3.098 -4.635 -2.109 275 2HG1 VAL 39 2HG1 VAL 39 2.176 -3.762 -3.356 276 3HG1 VAL 39 3HG1 VAL 39 2.476 -5.508 -3.529 277 1HG2 VAL 39 1HG2 VAL 39 5.651 -2.731 -3.578 278 2HG2 VAL 39 2HG2 VAL 39 4.277 -2.224 -4.591 279 3HG2 VAL 39 3HG2 VAL 39 4.064 -2.419 -2.834 280 H ASN 40 H ASN 40 5.099 -7.032 -1.646 281 HA ASN 40 HA ASN 40 4.761 -9.154 -3.694 282 1HB ASN 40 1HB ASN 40 5.724 -9.064 -0.839 283 2HB ASN 40 2HB ASN 40 5.105 -10.584 -1.520 284 1HD2 ASN 40 1HD2 ASN 40 7.012 -7.902 -2.995 285 2HD2 ASN 40 2HD2 ASN 40 8.355 -8.905 -3.500 286 H TRP 41 H TRP 41 3.325 -7.794 -0.702 287 HA TRP 41 HA TRP 41 0.678 -8.565 -1.598 288 1HB TRP 41 1HB TRP 41 1.303 -10.706 -0.740 289 2HB TRP 41 2HB TRP 41 2.020 -9.990 0.710 290 HD1 TRP 41 HD TRP 41 -0.107 -8.336 1.987 291 HE1 TRP 41 1HE TRP 41 -2.333 -9.251 2.819 292 HE3 TRP 41 3HE TRP 41 -0.359 -12.572 -0.875 293 HZ2 TRP 41 2HZ TRP 41 -4.027 -11.543 2.311 294 HZ3 TRP 41 3HZ TRP 41 -2.291 -14.094 -0.673 295 HH2 TRP 41 HH TRP 41 -4.128 -13.595 0.911 296 H VAL 42 H VAL 42 -0.976 -7.555 -0.358 297 HA VAL 42 HA VAL 42 0.000 -5.708 1.760 298 HB VAL 42 HB VAL 42 -1.605 -5.077 -0.729 299 1HG1 VAL 42 1HG1 VAL 42 -2.156 -2.901 0.329 300 2HG1 VAL 42 2HG1 VAL 42 -2.894 -4.258 1.214 301 3HG1 VAL 42 3HG1 VAL 42 -1.434 -3.466 1.855 302 1HG2 VAL 42 1HG2 VAL 42 0.951 -4.186 0.588 303 2HG2 VAL 42 2HG2 VAL 42 0.621 -4.534 -1.126 304 3HG2 VAL 42 3HG2 VAL 42 0.045 -3.015 -0.399 305 H GLU 43 H GLU 43 -1.532 -5.214 3.378 306 HA GLU 43 HA GLU 43 -3.826 -7.106 3.423 307 1HB GLU 43 1HB GLU 43 -2.177 -5.748 5.574 308 2HB GLU 43 2HB GLU 43 -3.747 -6.508 5.926 309 1HG GLU 43 1HG GLU 43 -2.910 -8.632 4.923 310 2HG GLU 43 2HG GLU 43 -1.329 -7.864 4.663 311 H SER 44 H SER 44 -5.862 -6.338 4.337 312 HA SER 44 HA SER 44 -6.262 -3.456 4.552 313 1HB SER 44 1HB SER 44 -7.539 -5.045 2.292 314 2HB SER 44 2HB SER 44 -7.939 -3.368 2.735 315 HG SER 44 HG SER 44 -5.371 -4.308 1.966 316 H GLY 45 H GLY 45 -6.871 -4.164 6.692 317 1HA GLY 45 1HA GLY 45 -8.684 -6.112 7.405 318 2HA GLY 45 2HA GLY 45 -8.546 -4.543 8.232 319 H ASN 46 H ASN 46 -10.938 -5.018 8.565 320 HA ASN 46 HA ASN 46 -12.737 -4.918 6.346 321 1HB ASN 46 1HB ASN 46 -13.240 -5.776 8.657 322 2HB ASN 46 2HB ASN 46 -13.233 -4.093 9.228 323 1HD2 ASN 46 1HD2 ASN 46 -15.455 -6.066 9.199 324 2HD2 ASN 46 2HD2 ASN 46 -16.733 -5.332 8.254 325 H ASN 47 H ASN 47 -11.086 -3.030 5.535 326 HA ASN 47 HA ASN 47 -12.723 -0.603 5.719 327 1HB ASN 47 1HB ASN 47 -10.504 0.709 6.095 328 2HB ASN 47 2HB ASN 47 -11.316 -0.023 7.496 329 1HD2 ASN 47 1HD2 ASN 47 -8.798 -0.685 5.007 330 2HD2 ASN 47 2HD2 ASN 47 -7.779 -1.658 6.047 331 H VAL 48 H VAL 48 -12.511 0.722 3.905 332 HA VAL 48 HA VAL 48 -11.156 -0.573 1.633 333 HB VAL 48 HB VAL 48 -12.907 1.911 1.669 334 1HG1 VAL 48 1HG1 VAL 48 -12.708 1.852 -0.585 335 2HG1 VAL 48 2HG1 VAL 48 -11.343 0.739 -0.329 336 3HG1 VAL 48 3HG1 VAL 48 -12.973 0.093 -0.635 337 1HG2 VAL 48 1HG2 VAL 48 -13.554 -1.027 1.775 338 2HG2 VAL 48 2HG2 VAL 48 -14.393 0.347 2.535 339 3HG2 VAL 48 3HG2 VAL 48 -14.587 0.039 0.793 340 H VAL 49 H VAL 49 -9.204 0.049 0.929 341 HA VAL 49 HA VAL 49 -8.359 2.851 1.427 342 HB VAL 49 HB VAL 49 -6.875 0.306 2.154 343 1HG1 VAL 49 1HG1 VAL 49 -4.857 1.558 2.364 344 2HG1 VAL 49 2HG1 VAL 49 -5.511 2.000 0.768 345 3HG1 VAL 49 3HG1 VAL 49 -5.705 3.108 2.148 346 1HG2 VAL 49 1HG2 VAL 49 -6.522 1.911 4.232 347 2HG2 VAL 49 2HG2 VAL 49 -7.952 2.741 3.571 348 3HG2 VAL 49 3HG2 VAL 49 -8.054 1.026 4.036 349 H THR 50 H THR 50 -7.243 3.764 -0.255 350 HA THR 50 HA THR 50 -6.970 2.062 -2.668 351 HB THR 50 HB THR 50 -7.447 4.960 -2.110 352 HG1 THR 50 1HG THR 50 -9.043 4.550 -3.436 353 1HG2 THR 50 1HG2 THR 50 -6.023 3.939 -4.606 354 2HG2 THR 50 2HG2 THR 50 -6.613 5.597 -4.342 355 3HG2 THR 50 3HG2 THR 50 -5.287 4.955 -3.343 356 H LEU 51 H LEU 51 -5.024 1.574 -3.542 357 HA LEU 51 HA LEU 51 -2.637 2.738 -2.192 358 1HB LEU 51 1HB LEU 51 -3.243 0.045 -3.421 359 2HB LEU 51 2HB LEU 51 -1.563 0.613 -3.262 360 HG LEU 51 HG LEU 51 -3.600 0.069 -1.086 361 1HD1 LEU 51 1HD1 LEU 51 -0.939 -0.946 -1.978 362 2HD1 LEU 51 2HD1 LEU 51 -1.185 -0.828 -0.220 363 3HD1 LEU 51 3HD1 LEU 51 -2.291 -1.812 -1.209 364 1HD2 LEU 51 1HD2 LEU 51 -2.800 2.278 -0.549 365 2HD2 LEU 51 2HD2 LEU 51 -1.887 1.138 0.468 366 3HD2 LEU 51 3HD2 LEU 51 -1.129 1.843 -0.980 367 H GLN 52 H GLN 52 -1.354 4.041 -3.358 368 HA GLN 52 HA GLN 52 -1.696 3.998 -6.319 369 1HB GLN 52 1HB GLN 52 -1.216 6.197 -4.312 370 2HB GLN 52 2HB GLN 52 -0.668 6.393 -5.994 371 1HG GLN 52 1HG GLN 52 -3.161 5.458 -6.455 372 2HG GLN 52 2HG GLN 52 -3.440 6.241 -4.885 373 1HE2 GLN 52 1HE2 GLN 52 -1.921 6.827 -8.101 374 2HE2 GLN 52 2HE2 GLN 52 -2.332 8.527 -8.179 375 H PHE 53 H PHE 53 -0.069 2.838 -7.193 376 HA PHE 53 HA PHE 53 2.686 3.527 -6.320 377 1HB PHE 53 1HB PHE 53 3.311 1.164 -6.466 378 2HB PHE 53 2HB PHE 53 2.065 1.422 -5.233 379 HD1 PHE 53 1HD PHE 53 -0.250 0.659 -5.606 380 HD2 PHE 53 2HD PHE 53 2.868 -0.133 -8.452 381 HE1 PHE 53 1HE PHE 53 -1.669 -1.068 -6.680 382 HE2 PHE 53 2HE PHE 53 1.449 -1.860 -9.526 383 HZ PHE 53 HZ PHE 53 -0.820 -2.327 -8.640 384 H GLN 54 H GLN 54 4.306 3.161 -7.972 385 HA GLN 54 HA GLN 54 3.126 3.378 -10.686 386 1HB GLN 54 1HB GLN 54 4.839 5.049 -9.485 387 2HB GLN 54 2HB GLN 54 6.024 3.885 -10.124 388 1HG GLN 54 1HG GLN 54 5.303 4.225 -12.368 389 2HG GLN 54 2HG GLN 54 3.813 5.043 -11.849 390 1HE2 GLN 54 1HE2 GLN 54 7.254 5.363 -12.468 391 2HE2 GLN 54 2HE2 GLN 54 7.349 7.097 -12.253 392 H ARG 55 H ARG 55 3.042 1.521 -11.800 393 HA ARG 55 HA ARG 55 4.301 -0.873 -11.141 394 1HB ARG 55 1HB ARG 55 2.461 -0.199 -12.938 395 2HB ARG 55 2HB ARG 55 3.866 -0.179 -14.031 396 1HG ARG 55 1HG ARG 55 4.264 -2.452 -13.786 397 2HG ARG 55 2HG ARG 55 3.548 -2.510 -12.158 398 1HD ARG 55 1HD ARG 55 1.679 -1.737 -14.331 399 2HD ARG 55 2HD ARG 55 2.297 -3.399 -14.430 400 HE ARG 55 HE ARG 55 1.434 -2.781 -11.756 401 1HH1 ARG 55 1HH1 ARG 55 -1.680 -4.381 -12.179 402 2HH1 ARG 55 2HH1 ARG 55 -0.539 -3.733 -11.022 403 1HH2 ARG 55 1HH2 ARG 55 -1.213 -4.285 -14.450 404 2HH2 ARG 55 2HH2 ARG 55 0.281 -3.564 -15.005 405 H ASN 56 H ASN 56 5.332 1.456 -13.707 406 HA ASN 56 HA ASN 56 8.072 0.312 -13.444 407 1HB ASN 56 1HB ASN 56 6.764 1.770 -15.770 408 2HB ASN 56 2HB ASN 56 8.417 1.121 -15.745 409 1HD2 ASN 56 1HD2 ASN 56 8.568 -0.712 -16.900 410 2HD2 ASN 56 2HD2 ASN 56 7.371 -1.989 -16.947 411 H LEU 57 H LEU 57 9.846 1.724 -13.303 412 HA LEU 57 HA LEU 57 9.189 4.312 -12.102 413 1HB LEU 57 1HB LEU 57 10.892 2.950 -11.041 414 2HB LEU 57 2HB LEU 57 11.800 2.821 -12.567 415 HG LEU 57 HG LEU 57 12.129 5.281 -12.570 416 1HD1 LEU 57 1HD1 LEU 57 9.964 5.269 -10.815 417 2HD1 LEU 57 2HD1 LEU 57 11.346 5.647 -9.759 418 3HD1 LEU 57 3HD1 LEU 57 11.003 6.668 -11.176 419 1HD2 LEU 57 1HD2 LEU 57 13.018 3.555 -10.273 420 2HD2 LEU 57 2HD2 LEU 57 13.977 4.276 -11.588 421 3HD2 LEU 57 3HD2 LEU 57 13.419 5.289 -10.235 422 H SER 58 H SER 58 11.253 3.126 -14.818 423 HA SER 58 HA SER 58 12.008 5.582 -15.869 424 1HB SER 58 1HB SER 58 12.110 2.875 -16.634 425 2HB SER 58 2HB SER 58 11.300 3.710 -17.981 426 HG SER 58 HG SER 58 13.888 3.798 -17.209 427 H ASP 59 H ASP 59 8.988 3.730 -16.468 428 HA ASP 59 HA ASP 59 7.926 6.091 -17.929 429 1HB ASP 59 1HB ASP 59 7.877 3.900 -19.089 430 2HB ASP 59 2HB ASP 59 6.906 3.230 -17.760 431 HA PRO 60 HA PRO 60 5.391 7.072 -14.466 432 1HB PRO 60 1HB PRO 60 3.522 8.636 -15.684 433 2HB PRO 60 2HB PRO 60 5.240 9.136 -15.563 434 1HG PRO 60 1HG PRO 60 3.887 7.761 -17.902 435 2HG PRO 60 2HG PRO 60 4.870 9.261 -17.942 436 1HD PRO 60 1HD PRO 60 5.963 6.831 -18.513 437 2HD PRO 60 2HD PRO 60 6.878 8.035 -17.556 438 H ARG 61 H ARG 61 5.027 4.455 -15.231 439 HA ARG 61 HA ARG 61 2.320 3.950 -16.119 440 1HB ARG 61 1HB ARG 61 4.730 2.426 -15.392 441 2HB ARG 61 2HB ARG 61 3.218 1.645 -14.869 442 1HG ARG 61 1HG ARG 61 3.084 2.794 -17.587 443 2HG ARG 61 2HG ARG 61 4.287 1.493 -17.418 444 1HD ARG 61 1HD ARG 61 2.561 0.037 -16.399 445 2HD ARG 61 2HD ARG 61 1.361 1.335 -16.583 446 HE ARG 61 HE ARG 61 2.596 0.754 -19.106 447 1HH1 ARG 61 1HH1 ARG 61 -0.024 -1.358 -20.161 448 2HH1 ARG 61 2HH1 ARG 61 1.370 -0.430 -20.666 449 1HH2 ARG 61 1HH2 ARG 61 -0.642 -1.400 -17.924 450 2HH2 ARG 61 2HH2 ARG 61 0.287 -0.504 -16.743 451 H LEU 62 H LEU 62 1.203 5.384 -14.581 452 HA LEU 62 HA LEU 62 1.272 4.718 -11.757 453 1HB LEU 62 1HB LEU 62 0.099 6.749 -13.509 454 2HB LEU 62 2HB LEU 62 -1.043 6.196 -12.261 455 HG LEU 62 HG LEU 62 0.723 8.139 -11.761 456 1HD1 LEU 62 1HD1 LEU 62 -0.951 7.164 -10.186 457 2HD1 LEU 62 2HD1 LEU 62 0.186 5.842 -9.829 458 3HD1 LEU 62 3HD1 LEU 62 0.601 7.516 -9.388 459 1HD2 LEU 62 1HD2 LEU 62 2.575 6.428 -12.435 460 2HD2 LEU 62 2HD2 LEU 62 2.819 7.400 -10.964 461 3HD2 LEU 62 3HD2 LEU 62 2.277 5.709 -10.834 462 H GLU 63 H GLU 63 -0.079 3.401 -10.615 463 HA GLU 63 HA GLU 63 -2.410 2.247 -12.042 464 1HB GLU 63 1HB GLU 63 -0.301 0.645 -10.540 465 2HB GLU 63 2HB GLU 63 -1.788 -0.003 -11.274 466 1HG GLU 63 1HG GLU 63 0.516 1.361 -12.726 467 2HG GLU 63 2HG GLU 63 0.096 -0.364 -12.791 468 H THR 64 H THR 64 -4.187 1.978 -10.759 469 HA THR 64 HA THR 64 -3.809 2.623 -7.873 470 HB THR 64 HB THR 64 -6.332 3.246 -8.136 471 HG1 THR 64 1HG THR 64 -7.047 3.318 -10.104 472 1HG2 THR 64 1HG2 THR 64 -5.564 5.380 -8.080 473 2HG2 THR 64 2HG2 THR 64 -3.941 4.668 -8.242 474 3HG2 THR 64 3HG2 THR 64 -4.813 5.235 -9.687 475 H ILE 65 H ILE 65 -4.712 1.289 -6.344 476 HA ILE 65 HA ILE 65 -6.351 -0.987 -7.309 477 HB ILE 65 HB ILE 65 -3.893 -1.617 -7.139 478 1HG1 ILE 65 1HG1 ILE 65 -5.867 -2.954 -5.238 479 2HG1 ILE 65 2HG1 ILE 65 -5.702 -3.286 -6.979 480 1HG2 ILE 65 1HG2 ILE 65 -3.622 -0.108 -5.051 481 2HG2 ILE 65 2HG2 ILE 65 -4.371 -1.447 -4.148 482 3HG2 ILE 65 3HG2 ILE 65 -2.837 -1.706 -5.013 483 1HD1 ILE 65 1HD1 ILE 65 -3.660 -3.797 -4.782 484 2HD1 ILE 65 2HD1 ILE 65 -4.456 -4.995 -5.831 485 3HD1 ILE 65 3HD1 ILE 65 -3.261 -3.866 -6.515 486 H THR 66 H THR 66 -8.146 -1.175 -6.104 487 HA THR 66 HA THR 66 -8.164 0.183 -3.462 488 HB THR 66 HB THR 66 -10.318 -0.565 -5.460 489 HG1 THR 66 1HG THR 66 -9.375 1.816 -4.243 490 1HG2 THR 66 1HG2 THR 66 -11.139 -1.179 -3.229 491 2HG2 THR 66 2HG2 THR 66 -10.618 0.394 -2.582 492 3HG2 THR 66 3HG2 THR 66 -11.937 0.315 -3.774 493 H LEU 67 H LEU 67 -8.126 -1.022 -1.666 494 HA LEU 67 HA LEU 67 -8.576 -3.934 -1.937 495 1HB LEU 67 1HB LEU 67 -7.498 -2.344 0.421 496 2HB LEU 67 2HB LEU 67 -7.420 -4.106 0.180 497 HG LEU 67 HG LEU 67 -6.311 -2.474 -2.044 498 1HD1 LEU 67 1HD1 LEU 67 -4.487 -2.795 0.304 499 2HD1 LEU 67 2HD1 LEU 67 -4.524 -1.530 -0.947 500 3HD1 LEU 67 3HD1 LEU 67 -5.689 -1.485 0.398 501 1HD2 LEU 67 1HD2 LEU 67 -4.598 -4.468 -0.767 502 2HD2 LEU 67 2HD2 LEU 67 -6.220 -5.122 -1.097 503 3HD2 LEU 67 3HD2 LEU 67 -5.252 -4.434 -2.422 504 H GLN 68 H GLN 68 -10.387 -4.891 -1.210 505 HA GLN 68 HA GLN 68 -12.439 -3.226 0.039 506 1HB GLN 68 1HB GLN 68 -12.360 -6.145 -0.816 507 2HB GLN 68 2HB GLN 68 -13.798 -5.319 -0.170 508 1HG GLN 68 1HG GLN 68 -12.252 -4.243 -2.549 509 2HG GLN 68 2HG GLN 68 -13.561 -5.430 -2.736 510 1HE2 GLN 68 1HE2 GLN 68 -12.724 -2.106 -1.952 511 2HE2 GLN 68 2HE2 GLN 68 -14.359 -1.483 -1.903 512 H LYS 69 H LYS 69 -13.768 -4.642 1.810 513 HA LYS 69 HA LYS 69 -12.245 -4.509 4.172 514 1HB LYS 69 1HB LYS 69 -14.683 -6.267 3.747 515 2HB LYS 69 2HB LYS 69 -14.157 -5.460 5.244 516 1HG LYS 69 1HG LYS 69 -15.417 -3.680 4.677 517 2HG LYS 69 2HG LYS 69 -14.368 -3.430 3.261 518 1HD LYS 69 1HD LYS 69 -16.198 -5.635 2.779 519 2HD LYS 69 2HD LYS 69 -17.102 -4.179 3.263 520 1HE LYS 69 1HE LYS 69 -15.419 -2.995 1.572 521 2HE LYS 69 2HE LYS 69 -15.322 -4.629 0.881 522 1HZ LYS 69 1HZ LYS 69 -17.797 -3.114 1.327 523 2HZ LYS 69 2HZ LYS 69 -17.043 -3.313 -0.126 524 3HZ LYS 69 3HZ LYS 69 -17.687 -4.616 0.654 525 H TRP 70 H TRP 70 -10.758 -5.821 5.056 526 HA TRP 70 HA TRP 70 -9.452 -7.663 5.423 527 1HB TRP 70 1HB TRP 70 -11.855 -9.230 4.446 528 2HB TRP 70 2HB TRP 70 -10.529 -9.830 5.451 529 HD1 TRP 70 HD TRP 70 -13.945 -8.621 5.701 530 HE1 TRP 70 1HE TRP 70 -14.594 -8.004 8.086 531 HE3 TRP 70 3HE TRP 70 -9.279 -8.504 7.803 532 HZ2 TRP 70 2HZ TRP 70 -13.258 -7.515 10.606 533 HZ3 TRP 70 3HZ TRP 70 -9.008 -7.959 10.194 534 HH2 TRP 70 HH TRP 70 -10.982 -7.463 11.606 535 H GLY 71 H GLY 71 -9.540 -6.316 2.765 536 1HA GLY 71 1HA GLY 71 -9.097 -8.490 0.845 537 2HA GLY 71 2HA GLY 71 -9.005 -6.742 0.531 538 H SER 72 H SER 72 -7.083 -8.770 -0.305 539 HA SER 72 HA SER 72 -4.699 -7.633 1.045 540 1HB SER 72 1HB SER 72 -4.477 -10.479 0.265 541 2HB SER 72 2HB SER 72 -3.881 -9.640 1.717 542 HG SER 72 HG SER 72 -6.636 -10.084 1.320 543 H TRP 73 H TRP 73 -2.729 -7.842 -0.279 544 HA TRP 73 HA TRP 73 -3.370 -8.171 -3.171 545 1HB TRP 73 1HB TRP 73 -3.148 -5.779 -2.366 546 2HB TRP 73 2HB TRP 73 -1.462 -6.145 -1.975 547 HD1 TRP 73 HD TRP 73 -2.991 -7.559 -5.150 548 HE1 TRP 73 1HE TRP 73 -1.932 -6.476 -7.198 549 HE3 TRP 73 3HE TRP 73 -0.276 -3.903 -2.814 550 HZ2 TRP 73 2HZ TRP 73 -0.124 -4.288 -7.764 551 HZ3 TRP 73 3HZ TRP 73 1.100 -2.341 -4.139 552 HH2 TRP 73 HH TRP 73 1.188 -2.519 -6.608 553 H ASN 74 H ASN 74 -1.949 -9.377 -4.343 554 HA ASN 74 HA ASN 74 0.689 -9.992 -3.164 555 1HB ASN 74 1HB ASN 74 -0.865 -11.740 -2.344 556 2HB ASN 74 2HB ASN 74 -1.320 -12.108 -4.022 557 1HD2 ASN 74 1HD2 ASN 74 -0.388 -14.210 -2.648 558 2HD2 ASN 74 2HD2 ASN 74 1.258 -14.602 -3.096 559 HA PRO 75 HA PRO 75 0.664 -9.221 -7.739 560 1HB PRO 75 1HB PRO 75 2.589 -7.293 -7.763 561 2HB PRO 75 2HB PRO 75 0.890 -6.927 -7.318 562 1HG PRO 75 1HG PRO 75 3.193 -7.530 -5.440 563 2HG PRO 75 2HG PRO 75 2.079 -6.126 -5.380 564 1HD PRO 75 1HD PRO 75 1.648 -8.348 -3.861 565 2HD PRO 75 2HD PRO 75 0.277 -7.503 -4.642 566 H GLY 76 H GLY 76 3.881 -8.364 -6.559 567 1HA GLY 76 1HA GLY 76 5.196 -10.754 -6.299 568 2HA GLY 76 2HA GLY 76 5.055 -10.556 -8.060 569 H HIS 77 H HIS 77 5.848 -8.529 -5.174 570 HA HIS 77 HA HIS 77 7.584 -7.085 -4.794 571 1HB HIS 77 1HB HIS 77 9.011 -8.969 -5.450 572 2HB HIS 77 2HB HIS 77 8.827 -8.531 -7.159 573 HD1 HIS 77 1HD HIS 77 9.463 -5.505 -7.172 574 HD2 HIS 77 2HD HIS 77 11.448 -8.369 -4.792 575 HE1 HIS 77 1HE HIS 77 11.752 -4.502 -6.573 576 HE2 HIS 77 2HE HIS 77 12.948 -6.251 -5.128 577 H ILE 78 H ILE 78 6.445 -5.201 -5.256 578 HA ILE 78 HA ILE 78 6.325 -4.283 -8.051 579 HB ILE 78 HB ILE 78 5.306 -3.041 -5.465 580 1HG1 ILE 78 1HG1 ILE 78 4.415 -5.340 -6.723 581 2HG1 ILE 78 2HG1 ILE 78 3.413 -4.277 -5.706 582 1HG2 ILE 78 1HG2 ILE 78 3.969 -1.626 -6.981 583 2HG2 ILE 78 2HG2 ILE 78 5.707 -1.413 -7.298 584 3HG2 ILE 78 3HG2 ILE 78 4.719 -2.412 -8.391 585 1HD1 ILE 78 1HD1 ILE 78 2.727 -2.992 -7.687 586 2HD1 ILE 78 2HD1 ILE 78 3.778 -3.989 -8.719 587 3HD1 ILE 78 3HD1 ILE 78 2.363 -4.718 -7.924 588 H HIS 79 H HIS 79 7.304 -2.364 -8.794 589 HA HIS 79 HA HIS 79 9.917 -1.871 -8.121 590 1HB HIS 79 1HB HIS 79 9.137 -0.876 -10.085 591 2HB HIS 79 2HB HIS 79 7.738 -0.143 -9.279 592 HD1 HIS 79 1HD HIS 79 11.519 0.247 -8.438 593 HD2 HIS 79 2HD HIS 79 8.063 2.425 -9.493 594 HE1 HIS 79 1HE HIS 79 12.164 2.734 -8.354 595 HE2 HIS 79 2HE HIS 79 10.056 4.046 -8.995 596 H GLU 80 H GLU 80 7.467 0.616 -7.275 597 HA GLU 80 HA GLU 80 8.213 0.572 -4.466 598 1HB GLU 80 1HB GLU 80 10.135 1.768 -5.572 599 2HB GLU 80 2HB GLU 80 8.977 2.999 -6.131 600 1HG GLU 80 1HG GLU 80 8.408 2.668 -3.398 601 2HG GLU 80 2HG GLU 80 10.182 2.641 -3.493 602 H ILE 81 H ILE 81 6.819 1.869 -3.187 603 HA ILE 81 HA ILE 81 4.261 2.411 -4.478 604 HB ILE 81 HB ILE 81 5.257 2.657 -1.615 605 1HG1 ILE 81 1HG1 ILE 81 5.076 0.354 -2.552 606 2HG1 ILE 81 2HG1 ILE 81 3.875 0.652 -1.272 607 1HG2 ILE 81 1HG2 ILE 81 2.804 2.864 -1.086 608 2HG2 ILE 81 2HG2 ILE 81 3.460 4.264 -1.967 609 3HG2 ILE 81 3HG2 ILE 81 2.489 3.046 -2.828 610 1HD1 ILE 81 1HD1 ILE 81 3.456 -0.004 -4.086 611 2HD1 ILE 81 2HD1 ILE 81 2.286 0.016 -2.745 612 3HD1 ILE 81 3HD1 ILE 81 2.630 1.510 -3.648 613 H LEU 82 H LEU 82 3.342 4.391 -4.876 614 HA LEU 82 HA LEU 82 5.185 6.684 -4.802 615 1HB LEU 82 1HB LEU 82 2.385 6.395 -5.962 616 2HB LEU 82 2HB LEU 82 3.500 7.758 -6.224 617 HG LEU 82 HG LEU 82 3.704 4.909 -7.219 618 1HD1 LEU 82 1HD1 LEU 82 3.254 5.942 -9.169 619 2HD1 LEU 82 2HD1 LEU 82 3.146 7.499 -8.313 620 3HD1 LEU 82 3HD1 LEU 82 4.705 6.954 -8.975 621 1HD2 LEU 82 1HD2 LEU 82 6.088 5.551 -7.890 622 2HD2 LEU 82 2HD2 LEU 82 5.956 6.892 -6.727 623 3HD2 LEU 82 3HD2 LEU 82 5.838 5.209 -6.162 624 H SER 83 H SER 83 1.700 6.172 -3.994 625 HA SER 83 HA SER 83 2.129 7.644 -1.473 626 1HB SER 83 1HB SER 83 1.471 9.221 -3.432 627 2HB SER 83 2HB SER 83 -0.129 8.448 -3.317 628 HG SER 83 HG SER 83 1.159 10.166 -1.569 629 H ILE 84 H ILE 84 -0.003 7.630 -0.176 630 HA ILE 84 HA ILE 84 -1.548 5.159 -0.771 631 HB ILE 84 HB ILE 84 -0.078 5.937 1.754 632 1HG1 ILE 84 1HG1 ILE 84 -0.434 3.332 0.209 633 2HG1 ILE 84 2HG1 ILE 84 0.989 4.398 0.128 634 1HG2 ILE 84 1HG2 ILE 84 -2.386 5.587 2.458 635 2HG2 ILE 84 2HG2 ILE 84 -2.500 4.109 1.472 636 3HG2 ILE 84 3HG2 ILE 84 -1.431 4.150 2.895 637 1HD1 ILE 84 1HD1 ILE 84 1.060 4.123 2.722 638 2HD1 ILE 84 2HD1 ILE 84 0.000 2.719 2.447 639 3HD1 ILE 84 3HD1 ILE 84 1.622 2.768 1.714 640 H ARG 85 H ARG 85 -3.699 5.473 -0.681 641 HA ARG 85 HA ARG 85 -4.665 7.888 0.779 642 1HB ARG 85 1HB ARG 85 -4.905 8.379 -1.535 643 2HB ARG 85 2HB ARG 85 -5.464 6.731 -1.908 644 1HG ARG 85 1HG ARG 85 -7.531 7.100 -0.667 645 2HG ARG 85 2HG ARG 85 -6.961 8.696 -0.123 646 1HD ARG 85 1HD ARG 85 -6.887 9.477 -2.461 647 2HD ARG 85 2HD ARG 85 -7.423 7.878 -3.021 648 HE ARG 85 HE ARG 85 -9.597 8.356 -2.312 649 1HH1 ARG 85 1HH1 ARG 85 -10.789 11.393 -0.973 650 2HH1 ARG 85 2HH1 ARG 85 -11.237 9.845 -1.653 651 1HH2 ARG 85 1HH2 ARG 85 -8.550 11.951 -0.732 652 2HH2 ARG 85 2HH2 ARG 85 -7.308 10.824 -1.231 653 H ILE 86 H ILE 86 -6.226 7.542 2.266 654 HA ILE 86 HA ILE 86 -7.474 4.834 2.301 655 HB ILE 86 HB ILE 86 -6.879 6.687 4.641 656 1HG1 ILE 86 1HG1 ILE 86 -5.470 4.184 3.620 657 2HG1 ILE 86 2HG1 ILE 86 -4.798 5.831 3.688 658 1HG2 ILE 86 1HG2 ILE 86 -7.341 3.801 5.068 659 2HG2 ILE 86 2HG2 ILE 86 -8.011 5.203 5.937 660 3HG2 ILE 86 3HG2 ILE 86 -8.755 4.661 4.414 661 1HD1 ILE 86 1HD1 ILE 86 -4.625 3.872 5.694 662 2HD1 ILE 86 2HD1 ILE 86 -4.248 5.603 5.868 663 3HD1 ILE 86 3HD1 ILE 86 -5.872 4.999 6.278 664 H TYR 87 H TYR 87 -9.678 4.706 2.431 665 HA TYR 87 HA TYR 87 -11.148 7.197 1.982 666 1HB TYR 87 1HB TYR 87 -11.775 4.249 1.919 667 2HB TYR 87 2HB TYR 87 -13.083 5.444 1.936 668 HD1 TYR 87 1HD TYR 87 -13.653 6.689 -0.012 669 HD2 TYR 87 2HD TYR 87 -10.119 4.248 0.034 670 HE1 TYR 87 1HE TYR 87 -13.421 6.978 -2.464 671 HE2 TYR 87 2HE TYR 87 -9.887 4.537 -2.418 672 HH TYR 87 HH TYR 87 -11.721 5.139 -4.441 Start of MODEL 28 1 H MET 1 H MET 1 -4.507 12.598 6.496 2 HA MET 1 HA MET 1 -2.870 12.851 8.898 3 1HB MET 1 1HB MET 1 -5.725 12.309 8.212 4 2HB MET 1 2HB MET 1 -5.128 11.649 9.753 5 1HG MET 1 1HG MET 1 -4.420 13.814 10.502 6 2HG MET 1 2HG MET 1 -4.681 14.524 8.900 7 1HE MET 1 1HE MET 1 -7.602 13.483 12.199 8 2HE MET 1 2HE MET 1 -5.861 13.148 12.039 9 3HE MET 1 3HE MET 1 -6.419 14.793 12.428 10 H ILE 2 H ILE 2 -2.075 10.913 6.759 11 HA ILE 2 HA ILE 2 -2.558 8.307 8.045 12 HB ILE 2 HB ILE 2 -2.684 8.506 5.586 13 1HG1 ILE 2 1HG1 ILE 2 -0.216 6.964 6.496 14 2HG1 ILE 2 2HG1 ILE 2 -1.893 6.395 6.682 15 1HG2 ILE 2 1HG2 ILE 2 -0.207 9.986 6.041 16 2HG2 ILE 2 2HG2 ILE 2 0.022 8.698 4.833 17 3HG2 ILE 2 3HG2 ILE 2 -1.239 9.931 4.592 18 1HD1 ILE 2 1HD1 ILE 2 -0.372 6.929 4.105 19 2HD1 ILE 2 2HD1 ILE 2 -1.081 5.395 4.662 20 3HD1 ILE 2 3HD1 ILE 2 -2.140 6.732 4.153 21 H ASN 3 H ASN 3 -0.987 7.092 9.075 22 HA ASN 3 HA ASN 3 1.727 8.264 9.274 23 1HB ASN 3 1HB ASN 3 -0.308 8.223 11.364 24 2HB ASN 3 2HB ASN 3 1.139 7.310 11.844 25 1HD2 ASN 3 1HD2 ASN 3 2.318 8.614 13.146 26 2HD2 ASN 3 2HD2 ASN 3 2.759 10.268 12.780 27 H ARG 4 H ARG 4 3.354 6.747 9.550 28 HA ARG 4 HA ARG 4 2.668 4.034 8.813 29 1HB ARG 4 1HB ARG 4 4.796 5.506 8.282 30 2HB ARG 4 2HB ARG 4 5.375 4.863 9.838 31 1HG ARG 4 1HG ARG 4 4.630 2.544 8.886 32 2HG ARG 4 2HG ARG 4 4.661 3.364 7.307 33 1HD ARG 4 1HD ARG 4 6.841 2.501 7.497 34 2HD ARG 4 2HD ARG 4 7.025 4.185 8.033 35 HE ARG 4 HE ARG 4 6.455 2.686 10.331 36 1HH1 ARG 4 1HH1 ARG 4 9.771 1.743 11.077 37 2HH1 ARG 4 2HH1 ARG 4 8.151 1.931 11.708 38 1HH2 ARG 4 1HH2 ARG 4 10.218 2.251 8.857 39 2HH2 ARG 4 2HH2 ARG 4 8.935 2.822 7.815 40 H THR 5 H THR 5 1.786 2.663 10.252 41 HA THR 5 HA THR 5 2.849 2.746 13.038 42 HB THR 5 HB THR 5 0.530 3.368 13.053 43 HG1 THR 5 1HG THR 5 0.570 2.015 14.664 44 1HG2 THR 5 1HG2 THR 5 -1.190 1.881 11.983 45 2HG2 THR 5 2HG2 THR 5 -0.089 2.639 10.807 46 3HG2 THR 5 3HG2 THR 5 0.134 0.933 11.264 47 H ASP 6 H ASP 6 3.166 0.717 14.105 48 HA ASP 6 HA ASP 6 3.890 -1.420 12.203 49 1HB ASP 6 1HB ASP 6 4.415 -1.116 15.184 50 2HB ASP 6 2HB ASP 6 5.103 -2.361 14.119 51 H CYS 7 H CYS 7 1.097 -0.962 12.544 52 HA CYS 7 HA CYS 7 -0.835 -2.107 12.980 53 1HB CYS 7 1HB CYS 7 1.208 -4.336 13.117 54 2HB CYS 7 2HB CYS 7 -0.528 -4.631 13.308 55 H ASN 8 H ASN 8 -1.489 -1.091 14.870 56 HA ASN 8 HA ASN 8 -0.384 -1.970 17.436 57 1HB ASN 8 1HB ASN 8 -2.188 -0.337 18.273 58 2HB ASN 8 2HB ASN 8 -0.853 0.343 17.317 59 1HD2 ASN 8 1HD2 ASN 8 -1.225 0.808 15.027 60 2HD2 ASN 8 2HD2 ASN 8 -2.844 1.177 14.472 61 H GLU 9 H GLU 9 -3.592 -1.988 15.784 62 HA GLU 9 HA GLU 9 -4.252 -4.611 16.577 63 1HB GLU 9 1HB GLU 9 -5.888 -4.152 18.376 64 2HB GLU 9 2HB GLU 9 -4.235 -3.714 18.867 65 1HG GLU 9 1HG GLU 9 -4.813 -1.554 19.142 66 2HG GLU 9 2HG GLU 9 -5.543 -1.486 17.524 67 H ASN 10 H ASN 10 -6.534 -5.137 16.088 68 HA ASN 10 HA ASN 10 -8.477 -4.898 14.884 69 1HB ASN 10 1HB ASN 10 -8.380 -2.553 16.087 70 2HB ASN 10 2HB ASN 10 -7.963 -1.963 14.464 71 1HD2 ASN 10 1HD2 ASN 10 -9.709 -1.150 13.458 72 2HD2 ASN 10 2HD2 ASN 10 -11.319 -1.837 13.498 73 H SER 11 H SER 11 -9.169 -4.660 12.644 74 HA SER 11 HA SER 11 -7.245 -5.387 10.774 75 1HB SER 11 1HB SER 11 -9.005 -5.445 9.336 76 2HB SER 11 2HB SER 11 -9.968 -5.118 10.797 77 HG SER 11 HG SER 11 -8.979 -3.256 8.900 78 H TYR 12 H TYR 12 -6.042 -4.314 9.191 79 HA TYR 12 HA TYR 12 -6.179 -1.438 8.892 80 1HB TYR 12 1HB TYR 12 -4.135 -2.722 10.663 81 2HB TYR 12 2HB TYR 12 -3.613 -1.395 9.612 82 HD1 TYR 12 1HD TYR 12 -6.118 0.273 9.644 83 HD2 TYR 12 2HD TYR 12 -4.009 -1.736 12.801 84 HE1 TYR 12 1HE TYR 12 -7.003 1.915 11.279 85 HE2 TYR 12 2HE TYR 12 -4.894 -0.095 14.436 86 HH TYR 12 HH TYR 12 -5.876 2.110 14.573 87 H LEU 13 H LEU 13 -4.456 -0.671 7.352 88 HA LEU 13 HA LEU 13 -4.095 -2.722 5.285 89 1HB LEU 13 1HB LEU 13 -4.811 -0.752 4.306 90 2HB LEU 13 2HB LEU 13 -3.930 0.272 5.465 91 HG LEU 13 HG LEU 13 -1.790 -0.808 4.378 92 1HD1 LEU 13 1HD1 LEU 13 -3.949 -1.902 2.780 93 2HD1 LEU 13 2HD1 LEU 13 -2.901 -0.883 1.765 94 3HD1 LEU 13 3HD1 LEU 13 -2.204 -2.238 2.684 95 1HD2 LEU 13 1HD2 LEU 13 -3.561 1.420 3.507 96 2HD2 LEU 13 2HD2 LEU 13 -1.839 1.439 3.955 97 3HD2 LEU 13 3HD2 LEU 13 -2.329 0.916 2.326 98 H GLU 14 H GLU 14 -2.281 -3.885 5.065 99 HA GLU 14 HA GLU 14 0.239 -2.719 6.151 100 1HB GLU 14 1HB GLU 14 -0.356 -5.683 6.104 101 2HB GLU 14 2HB GLU 14 0.848 -4.798 7.069 102 1HG GLU 14 1HG GLU 14 -0.852 -3.821 8.455 103 2HG GLU 14 2HG GLU 14 -2.146 -4.374 7.369 104 H ILE 15 H ILE 15 2.117 -3.083 4.948 105 HA ILE 15 HA ILE 15 1.767 -4.506 2.364 106 HB ILE 15 HB ILE 15 3.069 -1.777 2.704 107 1HG1 ILE 15 1HG1 ILE 15 0.516 -2.409 1.194 108 2HG1 ILE 15 2HG1 ILE 15 0.488 -1.961 2.917 109 1HG2 ILE 15 1HG2 ILE 15 2.404 -2.352 0.016 110 2HG2 ILE 15 2HG2 ILE 15 4.032 -2.307 0.733 111 3HG2 ILE 15 3HG2 ILE 15 3.136 -3.843 0.655 112 1HD1 ILE 15 1HD1 ILE 15 0.342 0.157 2.027 113 2HD1 ILE 15 2HD1 ILE 15 2.114 -0.009 1.993 114 3HD1 ILE 15 3HD1 ILE 15 1.164 -0.306 0.518 115 H HIS 16 H HIS 16 3.280 -6.045 2.216 116 HA HIS 16 HA HIS 16 5.885 -5.552 3.584 117 1HB HIS 16 1HB HIS 16 6.013 -7.963 3.936 118 2HB HIS 16 2HB HIS 16 4.530 -7.311 4.658 119 HD1 HIS 16 1HD HIS 16 5.698 -9.747 2.001 120 HD2 HIS 16 2HD HIS 16 2.170 -7.876 3.363 121 HE1 HIS 16 1HE HIS 16 3.735 -11.029 0.950 122 HE2 HIS 16 2HE HIS 16 1.598 -9.883 1.784 123 H ASN 17 H ASN 17 7.181 -4.856 1.939 124 HA ASN 17 HA ASN 17 7.086 -6.360 -0.618 125 1HB ASN 17 1HB ASN 17 8.512 -4.438 -1.417 126 2HB ASN 17 2HB ASN 17 6.876 -3.982 -0.895 127 1HD2 ASN 17 1HD2 ASN 17 8.718 -1.984 -1.014 128 2HD2 ASN 17 2HD2 ASN 17 9.224 -1.506 0.593 129 H ASN 18 H ASN 18 9.579 -6.066 -1.605 130 HA ASN 18 HA ASN 18 11.667 -7.001 -1.559 131 1HB ASN 18 1HB ASN 18 11.316 -5.864 1.187 132 2HB ASN 18 2HB ASN 18 12.687 -6.961 0.917 133 1HD2 ASN 18 1HD2 ASN 18 12.123 -3.828 1.183 134 2HD2 ASN 18 2HD2 ASN 18 13.174 -3.165 -0.050 135 H GLU 19 H GLU 19 9.268 -8.674 -1.195 136 HA GLU 19 HA GLU 19 8.818 -10.891 -0.838 137 1HB GLU 19 1HB GLU 19 11.823 -10.933 -0.396 138 2HB GLU 19 2HB GLU 19 10.812 -12.398 -0.360 139 1HG GLU 19 1HG GLU 19 9.973 -11.817 -2.648 140 2HG GLU 19 2HG GLU 19 11.101 -10.444 -2.678 141 H GLY 20 H GLY 20 8.239 -9.095 1.212 142 1HA GLY 20 1HA GLY 20 7.569 -9.167 3.412 143 2HA GLY 20 2HA GLY 20 8.044 -10.880 3.451 144 H ARG 21 H ARG 21 10.024 -7.968 2.739 145 HA ARG 21 HA ARG 21 11.909 -8.851 4.844 146 1HB ARG 21 1HB ARG 21 12.594 -8.351 2.416 147 2HB ARG 21 2HB ARG 21 12.307 -6.639 2.809 148 1HG ARG 21 1HG ARG 21 13.911 -8.099 4.825 149 2HG ARG 21 2HG ARG 21 14.687 -7.967 3.229 150 1HD ARG 21 1HD ARG 21 13.571 -5.436 3.658 151 2HD ARG 21 2HD ARG 21 14.204 -5.901 5.251 152 HE ARG 21 HE ARG 21 16.205 -6.521 3.384 153 1HH1 ARG 21 1HH1 ARG 21 17.770 -3.360 3.371 154 2HH1 ARG 21 2HH1 ARG 21 17.952 -5.059 2.996 155 1HH2 ARG 21 1HH2 ARG 21 15.774 -2.574 4.256 156 2HH2 ARG 21 2HH2 ARG 21 14.452 -3.681 4.549 157 H ASP 22 H ASP 22 9.923 -6.070 3.787 158 HA ASP 22 HA ASP 22 10.145 -5.003 6.545 159 1HB ASP 22 1HB ASP 22 10.726 -3.554 3.950 160 2HB ASP 22 2HB ASP 22 10.230 -2.685 5.418 161 H THR 23 H THR 23 8.140 -4.821 7.345 162 HA THR 23 HA THR 23 5.900 -4.540 5.418 163 HB THR 23 HB THR 23 5.811 -5.242 8.375 164 HG1 THR 23 1HG THR 23 6.123 -7.260 7.805 165 1HG2 THR 23 1HG2 THR 23 3.587 -5.090 8.041 166 2HG2 THR 23 2HG2 THR 23 3.844 -4.689 6.326 167 3HG2 THR 23 3HG2 THR 23 3.712 -6.390 6.832 168 H LEU 24 H LEU 24 4.234 -2.985 5.797 169 HA LEU 24 HA LEU 24 4.904 -0.841 7.732 170 1HB LEU 24 1HB LEU 24 4.030 -0.165 4.922 171 2HB LEU 24 2HB LEU 24 4.848 0.861 6.124 172 HG LEU 24 HG LEU 24 6.480 -1.461 5.600 173 1HD1 LEU 24 1HD1 LEU 24 4.961 -0.994 3.384 174 2HD1 LEU 24 2HD1 LEU 24 6.304 0.137 3.093 175 3HD1 LEU 24 3HD1 LEU 24 6.635 -1.597 3.320 176 1HD2 LEU 24 1HD2 LEU 24 6.840 1.473 4.857 177 2HD2 LEU 24 2HD2 LEU 24 7.198 0.776 6.455 178 3HD2 LEU 24 3HD2 LEU 24 8.131 0.260 5.030 179 H CYS 25 H CYS 25 3.166 -0.482 8.967 180 HA CYS 25 HA CYS 25 0.506 -1.224 7.874 181 1HB CYS 25 1HB CYS 25 1.105 -0.566 10.750 182 2HB CYS 25 2HB CYS 25 -0.179 -1.584 10.080 183 H PHE 26 H PHE 26 -1.157 0.255 7.759 184 HA PHE 26 HA PHE 26 -0.511 3.030 8.630 185 1HB PHE 26 1HB PHE 26 -1.769 2.106 6.027 186 2HB PHE 26 2HB PHE 26 -1.715 3.791 6.573 187 HD1 PHE 26 1HD PHE 26 0.331 0.913 5.438 188 HD2 PHE 26 2HD PHE 26 0.285 5.099 6.398 189 HE1 PHE 26 1HE PHE 26 2.574 1.173 4.411 190 HE2 PHE 26 2HE PHE 26 2.528 5.360 5.372 191 HZ PHE 26 HZ PHE 26 3.672 3.397 4.377 192 H ALA 27 H ALA 27 -2.289 4.278 9.327 193 HA ALA 27 HA ALA 27 -4.888 2.862 9.511 194 1HB ALA 27 1HB ALA 27 -3.434 4.176 11.842 195 2HB ALA 27 2HB ALA 27 -5.067 3.467 11.889 196 3HB ALA 27 3HB ALA 27 -3.651 2.424 11.611 197 H ASN 28 H ASN 28 -6.550 4.505 10.536 198 HA ASN 28 HA ASN 28 -7.664 6.496 10.336 199 1HB ASN 28 1HB ASN 28 -4.794 7.416 10.173 200 2HB ASN 28 2HB ASN 28 -6.125 8.566 9.919 201 1HD2 ASN 28 1HD2 ASN 28 -6.299 9.756 11.747 202 2HD2 ASN 28 2HD2 ASN 28 -6.387 9.103 13.368 203 H ALA 29 H ALA 29 -8.702 7.657 8.709 204 HA ALA 29 HA ALA 29 -8.411 6.653 6.062 205 1HB ALA 29 1HB ALA 29 -10.551 7.441 6.696 206 2HB ALA 29 2HB ALA 29 -9.900 8.982 7.302 207 3HB ALA 29 3HB ALA 29 -9.949 8.664 5.551 208 H GLY 30 H GLY 30 -6.473 8.804 7.786 209 1HA GLY 30 1HA GLY 30 -5.841 10.929 6.190 210 2HA GLY 30 2HA GLY 30 -4.615 9.976 7.056 211 H THR 31 H THR 31 -4.240 11.310 4.509 212 HA THR 31 HA THR 31 -3.537 8.922 2.901 213 HB THR 31 HB THR 31 -5.060 11.369 1.939 214 HG1 THR 31 1HG THR 31 -6.639 10.003 1.887 215 1HG2 THR 31 1HG2 THR 31 -4.737 10.518 -0.324 216 2HG2 THR 31 2HG2 THR 31 -3.143 10.762 0.429 217 3HG2 THR 31 3HG2 THR 31 -3.822 9.122 0.294 218 H MET 32 H MET 32 -1.403 8.976 2.559 219 HA MET 32 HA MET 32 -0.144 11.586 1.951 220 1HB MET 32 1HB MET 32 1.546 11.350 3.585 221 2HB MET 32 2HB MET 32 0.045 10.938 4.449 222 1HG MET 32 1HG MET 32 0.519 8.508 3.804 223 2HG MET 32 2HG MET 32 2.133 9.053 3.318 224 1HE MET 32 1HE MET 32 2.865 7.174 4.617 225 2HE MET 32 2HE MET 32 3.298 7.257 6.341 226 3HE MET 32 3HE MET 32 1.683 6.686 5.856 227 HA PRO 33 HA PRO 33 2.016 9.252 -1.071 228 1HB PRO 33 1HB PRO 33 4.367 10.610 -1.302 229 2HB PRO 33 2HB PRO 33 2.795 11.358 -1.737 230 1HG PRO 33 1HG PRO 33 4.283 11.607 0.893 231 2HG PRO 33 2HG PRO 33 3.651 12.938 -0.130 232 1HD PRO 33 1HD PRO 33 2.228 11.971 1.983 233 2HD PRO 33 2HD PRO 33 1.401 12.410 0.458 234 H VAL 34 H VAL 34 3.055 7.327 -0.986 235 HA VAL 34 HA VAL 34 5.136 6.965 1.112 236 HB VAL 34 HB VAL 34 4.239 4.853 1.716 237 1HG1 VAL 34 1HG1 VAL 34 1.584 6.119 1.322 238 2HG1 VAL 34 2HG1 VAL 34 2.393 5.609 2.823 239 3HG1 VAL 34 3HG1 VAL 34 2.806 7.171 2.076 240 1HG2 VAL 34 1HG2 VAL 34 2.394 3.778 0.492 241 2HG2 VAL 34 2HG2 VAL 34 2.316 5.158 -0.630 242 3HG2 VAL 34 3HG2 VAL 34 3.752 4.108 -0.611 243 H ALA 35 H ALA 35 6.637 5.166 0.621 244 HA ALA 35 HA ALA 35 6.807 4.621 -2.302 245 1HB ALA 35 1HB ALA 35 9.407 4.760 -1.013 246 2HB ALA 35 2HB ALA 35 8.802 5.647 -2.433 247 3HB ALA 35 3HB ALA 35 8.517 6.286 -0.797 248 H ILE 36 H ILE 36 6.490 2.487 -2.533 249 HA ILE 36 HA ILE 36 7.933 0.683 -0.656 250 HB ILE 36 HB ILE 36 5.056 0.558 -1.609 251 1HG1 ILE 36 1HG1 ILE 36 5.671 -0.173 1.148 252 2HG1 ILE 36 2HG1 ILE 36 6.321 1.436 0.753 253 1HG2 ILE 36 1HG2 ILE 36 6.539 -1.661 -0.161 254 2HG2 ILE 36 2HG2 ILE 36 4.932 -1.721 -0.924 255 3HG2 ILE 36 3HG2 ILE 36 6.394 -1.624 -1.934 256 1HD1 ILE 36 1HD1 ILE 36 3.474 0.476 0.790 257 2HD1 ILE 36 2HD1 ILE 36 4.158 2.023 1.343 258 3HD1 ILE 36 3HD1 ILE 36 3.924 1.724 -0.396 259 H TYR 37 H TYR 37 9.490 -0.250 -1.853 260 HA TYR 37 HA TYR 37 8.889 -0.863 -4.695 261 1HB TYR 37 1HB TYR 37 11.533 -0.874 -3.204 262 2HB TYR 37 2HB TYR 37 11.300 -1.041 -4.953 263 HD1 TYR 37 1HD TYR 37 10.787 1.320 -2.098 264 HD2 TYR 37 2HD TYR 37 11.242 0.851 -6.343 265 HE1 TYR 37 1HE TYR 37 10.940 3.782 -2.353 266 HE2 TYR 37 2HE TYR 37 11.395 3.313 -6.599 267 HH TYR 37 HH TYR 37 10.840 5.382 -5.433 268 H GLY 38 H GLY 38 8.697 -2.929 -5.399 269 1HA GLY 38 1HA GLY 38 8.899 -5.239 -5.402 270 2HA GLY 38 2HA GLY 38 9.868 -5.144 -3.914 271 H VAL 39 H VAL 39 6.494 -4.442 -5.004 272 HA VAL 39 HA VAL 39 5.455 -5.099 -2.358 273 HB VAL 39 HB VAL 39 3.977 -4.560 -4.962 274 1HG1 VAL 39 1HG1 VAL 39 2.548 -5.550 -3.275 275 2HG1 VAL 39 2HG1 VAL 39 3.211 -4.481 -2.015 276 3HG1 VAL 39 3HG1 VAL 39 2.205 -3.804 -3.318 277 1HG2 VAL 39 1HG2 VAL 39 4.371 -2.497 -2.814 278 2HG2 VAL 39 2HG2 VAL 39 5.724 -2.816 -3.926 279 3HG2 VAL 39 3HG2 VAL 39 4.151 -2.284 -4.567 280 H ASN 40 H ASN 40 5.140 -7.136 -1.700 281 HA ASN 40 HA ASN 40 4.736 -9.225 -3.772 282 1HB ASN 40 1HB ASN 40 5.268 -9.683 -0.832 283 2HB ASN 40 2HB ASN 40 5.582 -10.767 -2.204 284 1HD2 ASN 40 1HD2 ASN 40 7.316 -10.216 -3.710 285 2HD2 ASN 40 2HD2 ASN 40 8.667 -9.248 -3.159 286 H TRP 41 H TRP 41 3.377 -7.846 -0.761 287 HA TRP 41 HA TRP 41 0.712 -8.646 -1.575 288 1HB TRP 41 1HB TRP 41 1.275 -10.764 -0.700 289 2HB TRP 41 2HB TRP 41 2.166 -10.063 0.658 290 HD1 TRP 41 HD TRP 41 0.232 -8.295 2.103 291 HE1 TRP 41 1HE TRP 41 -1.925 -9.116 3.180 292 HE3 TRP 41 3HE TRP 41 -0.440 -12.585 -0.606 293 HZ2 TRP 41 2HZ TRP 41 -3.731 -11.361 2.908 294 HZ3 TRP 41 3HZ TRP 41 -2.387 -14.037 -0.169 295 HH2 TRP 41 HH TRP 41 -4.037 -13.441 1.580 296 H VAL 42 H VAL 42 -0.925 -7.673 -0.247 297 HA VAL 42 HA VAL 42 0.064 -5.821 1.842 298 HB VAL 42 HB VAL 42 -1.353 -5.105 -0.727 299 1HG1 VAL 42 1HG1 VAL 42 -1.692 -2.831 0.562 300 2HG1 VAL 42 2HG1 VAL 42 -2.886 -4.136 0.757 301 3HG1 VAL 42 3HG1 VAL 42 -1.652 -3.863 2.011 302 1HG2 VAL 42 1HG2 VAL 42 0.257 -3.085 -0.315 303 2HG2 VAL 42 2HG2 VAL 42 1.027 -4.151 0.885 304 3HG2 VAL 42 3HG2 VAL 42 0.956 -4.640 -0.825 305 H GLU 43 H GLU 43 -1.281 -5.719 3.573 306 HA GLU 43 HA GLU 43 -3.697 -7.386 3.475 307 1HB GLU 43 1HB GLU 43 -2.237 -5.931 5.710 308 2HB GLU 43 2HB GLU 43 -3.716 -6.892 5.947 309 1HG GLU 43 1HG GLU 43 -1.331 -8.077 4.518 310 2HG GLU 43 2HG GLU 43 -1.384 -8.036 6.294 311 H SER 44 H SER 44 -5.758 -6.593 4.341 312 HA SER 44 HA SER 44 -6.138 -3.691 4.418 313 1HB SER 44 1HB SER 44 -7.678 -5.331 2.380 314 2HB SER 44 2HB SER 44 -7.652 -3.562 2.577 315 HG SER 44 HG SER 44 -5.280 -3.856 2.177 316 H GLY 45 H GLY 45 -6.686 -4.302 6.619 317 1HA GLY 45 1HA GLY 45 -8.511 -6.178 7.473 318 2HA GLY 45 2HA GLY 45 -8.333 -4.571 8.213 319 H ASN 46 H ASN 46 -10.749 -5.141 8.584 320 HA ASN 46 HA ASN 46 -12.559 -5.029 6.376 321 1HB ASN 46 1HB ASN 46 -13.019 -5.911 8.701 322 2HB ASN 46 2HB ASN 46 -13.073 -4.225 9.259 323 1HD2 ASN 46 1HD2 ASN 46 -15.187 -6.406 9.081 324 2HD2 ASN 46 2HD2 ASN 46 -16.501 -5.673 8.186 325 H ASN 47 H ASN 47 -10.924 -3.112 5.589 326 HA ASN 47 HA ASN 47 -12.590 -0.706 5.805 327 1HB ASN 47 1HB ASN 47 -10.329 0.593 6.163 328 2HB ASN 47 2HB ASN 47 -11.207 -0.072 7.557 329 1HD2 ASN 47 1HD2 ASN 47 -8.519 -0.672 5.270 330 2HD2 ASN 47 2HD2 ASN 47 -7.609 -1.727 6.331 331 H VAL 48 H VAL 48 -12.465 0.582 3.979 332 HA VAL 48 HA VAL 48 -11.035 -0.639 1.712 333 HB VAL 48 HB VAL 48 -12.905 1.755 1.720 334 1HG1 VAL 48 1HG1 VAL 48 -13.208 0.230 -0.599 335 2HG1 VAL 48 2HG1 VAL 48 -12.270 1.736 -0.455 336 3HG1 VAL 48 3HG1 VAL 48 -11.458 0.161 -0.281 337 1HG2 VAL 48 1HG2 VAL 48 -14.147 -0.685 0.822 338 2HG2 VAL 48 2HG2 VAL 48 -13.480 -0.950 2.451 339 3HG2 VAL 48 3HG2 VAL 48 -14.631 0.377 2.166 340 H VAL 49 H VAL 49 -9.116 0.086 1.019 341 HA VAL 49 HA VAL 49 -8.429 2.931 1.515 342 HB VAL 49 HB VAL 49 -6.733 0.492 2.166 343 1HG1 VAL 49 1HG1 VAL 49 -5.789 2.795 1.010 344 2HG1 VAL 49 2HG1 VAL 49 -5.722 3.225 2.736 345 3HG1 VAL 49 3HG1 VAL 49 -4.855 1.789 2.143 346 1HG2 VAL 49 1HG2 VAL 49 -7.901 2.793 3.781 347 2HG2 VAL 49 2HG2 VAL 49 -8.251 1.057 3.957 348 3HG2 VAL 49 3HG2 VAL 49 -6.650 1.692 4.406 349 H THR 50 H THR 50 -7.353 3.905 -0.162 350 HA THR 50 HA THR 50 -7.067 2.267 -2.604 351 HB THR 50 HB THR 50 -7.363 5.190 -1.966 352 HG1 THR 50 1HG THR 50 -8.995 4.959 -3.396 353 1HG2 THR 50 1HG2 THR 50 -5.293 4.889 -3.408 354 2HG2 THR 50 2HG2 THR 50 -6.341 4.132 -4.632 355 3HG2 THR 50 3HG2 THR 50 -6.598 5.831 -4.167 356 H LEU 51 H LEU 51 -5.138 1.736 -3.485 357 HA LEU 51 HA LEU 51 -2.715 2.810 -2.125 358 1HB LEU 51 1HB LEU 51 -3.406 0.149 -3.377 359 2HB LEU 51 2HB LEU 51 -1.709 0.666 -3.233 360 HG LEU 51 HG LEU 51 -3.741 0.242 -1.014 361 1HD1 LEU 51 1HD1 LEU 51 -2.462 -1.565 -0.464 362 2HD1 LEU 51 2HD1 LEU 51 -1.892 -1.446 -2.146 363 3HD1 LEU 51 3HD1 LEU 51 -0.939 -0.720 -0.829 364 1HD2 LEU 51 1HD2 LEU 51 -1.242 1.926 -1.104 365 2HD2 LEU 51 2HD2 LEU 51 -2.780 2.228 -0.260 366 3HD2 LEU 51 3HD2 LEU 51 -1.631 1.032 0.386 367 H GLN 52 H GLN 52 -1.380 4.072 -3.282 368 HA GLN 52 HA GLN 52 -1.732 4.070 -6.243 369 1HB GLN 52 1HB GLN 52 -1.197 6.250 -4.224 370 2HB GLN 52 2HB GLN 52 -0.674 6.443 -5.914 371 1HG GLN 52 1HG GLN 52 -3.239 5.487 -6.225 372 2HG GLN 52 2HG GLN 52 -3.397 6.469 -4.752 373 1HE2 GLN 52 1HE2 GLN 52 -1.934 6.596 -8.050 374 2HE2 GLN 52 2HE2 GLN 52 -2.294 8.286 -8.331 375 H PHE 53 H PHE 53 -0.124 2.888 -7.121 376 HA PHE 53 HA PHE 53 2.641 3.525 -6.244 377 1HB PHE 53 1HB PHE 53 3.237 1.169 -6.341 378 2HB PHE 53 2HB PHE 53 1.939 1.422 -5.162 379 HD1 PHE 53 1HD PHE 53 -0.414 0.784 -5.749 380 HD2 PHE 53 2HD PHE 53 2.934 -0.239 -8.237 381 HE1 PHE 53 1HE PHE 53 -1.788 -0.937 -6.890 382 HE2 PHE 53 2HE PHE 53 1.561 -1.960 -9.379 383 HZ PHE 53 HZ PHE 53 -0.801 -2.309 -8.705 384 H GLN 54 H GLN 54 4.258 3.096 -7.895 385 HA GLN 54 HA GLN 54 3.085 3.352 -10.608 386 1HB GLN 54 1HB GLN 54 4.857 4.963 -9.401 387 2HB GLN 54 2HB GLN 54 5.998 3.765 -10.056 388 1HG GLN 54 1HG GLN 54 5.294 4.154 -12.290 389 2HG GLN 54 2HG GLN 54 3.813 4.985 -11.767 390 1HE2 GLN 54 1HE2 GLN 54 7.217 5.287 -12.479 391 2HE2 GLN 54 2HE2 GLN 54 7.349 7.011 -12.209 392 H ARG 55 H ARG 55 2.948 1.505 -11.731 393 HA ARG 55 HA ARG 55 4.158 -0.924 -11.063 394 1HB ARG 55 1HB ARG 55 2.323 -0.118 -12.888 395 2HB ARG 55 2HB ARG 55 3.725 -0.361 -13.957 396 1HG ARG 55 1HG ARG 55 2.839 -2.512 -13.928 397 2HG ARG 55 2HG ARG 55 3.979 -2.613 -12.565 398 1HD ARG 55 1HD ARG 55 2.311 -2.680 -11.000 399 2HD ARG 55 2HD ARG 55 1.265 -1.574 -11.916 400 HE ARG 55 HE ARG 55 0.270 -3.392 -12.960 401 1HH1 ARG 55 1HH1 ARG 55 1.049 -6.816 -12.627 402 2HH1 ARG 55 2HH1 ARG 55 -0.102 -5.655 -13.249 403 1HH2 ARG 55 1HH2 ARG 55 2.948 -6.086 -11.512 404 2HH2 ARG 55 2HH2 ARG 55 3.230 -4.373 -11.293 405 H ASN 56 H ASN 56 5.177 1.399 -13.638 406 HA ASN 56 HA ASN 56 7.893 0.183 -13.461 407 1HB ASN 56 1HB ASN 56 6.305 1.403 -15.723 408 2HB ASN 56 2HB ASN 56 8.080 1.338 -15.788 409 1HD2 ASN 56 1HD2 ASN 56 9.150 -0.743 -15.730 410 2HD2 ASN 56 2HD2 ASN 56 8.296 -2.188 -16.226 411 H LEU 57 H LEU 57 9.673 1.513 -13.202 412 HA LEU 57 HA LEU 57 9.089 4.158 -12.095 413 1HB LEU 57 1HB LEU 57 10.694 2.768 -10.936 414 2HB LEU 57 2HB LEU 57 11.638 2.533 -12.426 415 HG LEU 57 HG LEU 57 12.129 4.950 -12.509 416 1HD1 LEU 57 1HD1 LEU 57 9.883 5.109 -10.800 417 2HD1 LEU 57 2HD1 LEU 57 11.273 5.607 -9.805 418 3HD1 LEU 57 3HD1 LEU 57 10.923 6.452 -11.332 419 1HD2 LEU 57 1HD2 LEU 57 13.904 4.143 -11.339 420 2HD2 LEU 57 2HD2 LEU 57 13.126 4.908 -9.932 421 3HD2 LEU 57 3HD2 LEU 57 12.868 3.177 -10.260 422 H SER 58 H SER 58 10.968 2.756 -14.826 423 HA SER 58 HA SER 58 11.992 5.133 -15.882 424 1HB SER 58 1HB SER 58 12.040 2.486 -16.572 425 2HB SER 58 2HB SER 58 11.001 3.153 -17.855 426 HG SER 58 HG SER 58 13.652 3.828 -17.169 427 H ASP 59 H ASP 59 8.819 3.551 -16.489 428 HA ASP 59 HA ASP 59 7.967 6.007 -17.928 429 1HB ASP 59 1HB ASP 59 7.688 3.957 -19.194 430 2HB ASP 59 2HB ASP 59 6.847 3.183 -17.834 431 HA PRO 60 HA PRO 60 5.487 7.161 -14.480 432 1HB PRO 60 1HB PRO 60 3.734 8.852 -15.701 433 2HB PRO 60 2HB PRO 60 5.483 9.231 -15.577 434 1HG PRO 60 1HG PRO 60 4.040 7.953 -17.918 435 2HG PRO 60 2HG PRO 60 5.125 9.381 -17.957 436 1HD PRO 60 1HD PRO 60 6.047 6.881 -18.527 437 2HD PRO 60 2HD PRO 60 7.042 8.018 -17.569 438 H ARG 61 H ARG 61 4.950 4.564 -15.454 439 HA ARG 61 HA ARG 61 2.167 4.319 -16.207 440 1HB ARG 61 1HB ARG 61 3.605 2.579 -16.931 441 2HB ARG 61 2HB ARG 61 4.337 2.399 -15.319 442 1HG ARG 61 1HG ARG 61 2.664 1.046 -14.586 443 2HG ARG 61 2HG ARG 61 1.403 2.052 -15.339 444 1HD ARG 61 1HD ARG 61 3.134 0.603 -17.257 445 2HD ARG 61 2HD ARG 61 2.149 -0.448 -16.217 446 HE ARG 61 HE ARG 61 0.371 1.469 -17.093 447 1HH1 ARG 61 1HH1 ARG 61 -0.348 0.187 -20.299 448 2HH1 ARG 61 2HH1 ARG 61 -0.901 1.229 -19.008 449 1HH2 ARG 61 1HH2 ARG 61 1.663 -0.953 -20.091 450 2HH2 ARG 61 2HH2 ARG 61 2.626 -0.771 -18.642 451 H LEU 62 H LEU 62 1.099 5.577 -14.565 452 HA LEU 62 HA LEU 62 1.344 4.778 -11.779 453 1HB LEU 62 1HB LEU 62 0.205 6.950 -13.315 454 2HB LEU 62 2HB LEU 62 -1.010 6.303 -12.187 455 HG LEU 62 HG LEU 62 0.732 8.149 -11.392 456 1HD1 LEU 62 1HD1 LEU 62 0.086 7.579 -9.265 457 2HD1 LEU 62 2HD1 LEU 62 -0.974 6.447 -10.138 458 3HD1 LEU 62 3HD1 LEU 62 0.571 5.878 -9.462 459 1HD2 LEU 62 1HD2 LEU 62 2.587 6.440 -12.192 460 2HD2 LEU 62 2HD2 LEU 62 2.821 7.372 -10.694 461 3HD2 LEU 62 3HD2 LEU 62 2.278 5.679 -10.613 462 H GLU 63 H GLU 63 -0.012 3.476 -10.601 463 HA GLU 63 HA GLU 63 -2.387 2.367 -11.991 464 1HB GLU 63 1HB GLU 63 -0.252 0.729 -10.569 465 2HB GLU 63 2HB GLU 63 -1.765 0.100 -11.265 466 1HG GLU 63 1HG GLU 63 0.536 1.428 -12.750 467 2HG GLU 63 2HG GLU 63 0.022 -0.269 -12.865 468 H THR 64 H THR 64 -4.138 2.102 -10.675 469 HA THR 64 HA THR 64 -3.684 2.656 -7.780 470 HB THR 64 HB THR 64 -6.184 3.388 -7.971 471 HG1 THR 64 1HG THR 64 -6.643 2.781 -10.021 472 1HG2 THR 64 1HG2 THR 64 -3.742 4.717 -8.067 473 2HG2 THR 64 2HG2 THR 64 -4.608 5.368 -9.480 474 3HG2 THR 64 3HG2 THR 64 -5.333 5.488 -7.858 475 H ILE 65 H ILE 65 -4.658 1.330 -6.274 476 HA ILE 65 HA ILE 65 -6.374 -0.862 -7.299 477 HB ILE 65 HB ILE 65 -3.906 -1.542 -7.118 478 1HG1 ILE 65 1HG1 ILE 65 -5.894 -2.990 -5.319 479 2HG1 ILE 65 2HG1 ILE 65 -5.864 -3.115 -7.095 480 1HG2 ILE 65 1HG2 ILE 65 -4.488 -1.596 -4.144 481 2HG2 ILE 65 2HG2 ILE 65 -2.926 -1.777 -4.978 482 3HG2 ILE 65 3HG2 ILE 65 -3.715 -0.184 -4.905 483 1HD1 ILE 65 1HD1 ILE 65 -3.224 -3.588 -6.452 484 2HD1 ILE 65 2HD1 ILE 65 -4.073 -4.334 -5.077 485 3HD1 ILE 65 3HD1 ILE 65 -4.440 -4.855 -6.739 486 H THR 66 H THR 66 -8.132 -1.157 -6.045 487 HA THR 66 HA THR 66 -8.153 0.234 -3.418 488 HB THR 66 HB THR 66 -10.346 -0.635 -5.333 489 HG1 THR 66 1HG THR 66 -10.268 1.385 -5.856 490 1HG2 THR 66 1HG2 THR 66 -11.392 0.942 -3.218 491 2HG2 THR 66 2HG2 THR 66 -11.726 -0.774 -3.555 492 3HG2 THR 66 3HG2 THR 66 -10.407 -0.325 -2.448 493 H LEU 67 H LEU 67 -8.033 -0.960 -1.619 494 HA LEU 67 HA LEU 67 -8.440 -3.880 -1.853 495 1HB LEU 67 1HB LEU 67 -7.375 -2.294 0.509 496 2HB LEU 67 2HB LEU 67 -7.193 -4.036 0.187 497 HG LEU 67 HG LEU 67 -6.193 -2.046 -1.847 498 1HD1 LEU 67 1HD1 LEU 67 -5.385 -1.877 0.804 499 2HD1 LEU 67 2HD1 LEU 67 -4.180 -2.977 0.095 500 3HD1 LEU 67 3HD1 LEU 67 -4.425 -1.357 -0.602 501 1HD2 LEU 67 1HD2 LEU 67 -6.325 -4.684 -1.977 502 2HD2 LEU 67 2HD2 LEU 67 -4.873 -3.836 -2.562 503 3HD2 LEU 67 3HD2 LEU 67 -4.868 -4.606 -0.957 504 H GLN 68 H GLN 68 -10.253 -4.831 -1.139 505 HA GLN 68 HA GLN 68 -12.274 -3.194 0.196 506 1HB GLN 68 1HB GLN 68 -12.235 -6.102 -0.704 507 2HB GLN 68 2HB GLN 68 -13.657 -5.251 -0.055 508 1HG GLN 68 1HG GLN 68 -12.108 -4.113 -2.390 509 2HG GLN 68 2HG GLN 68 -13.334 -5.373 -2.647 510 1HE2 GLN 68 1HE2 GLN 68 -12.750 -2.061 -1.487 511 2HE2 GLN 68 2HE2 GLN 68 -14.414 -1.525 -1.589 512 H LYS 69 H LYS 69 -13.571 -4.710 1.939 513 HA LYS 69 HA LYS 69 -12.095 -4.574 4.302 514 1HB LYS 69 1HB LYS 69 -14.312 -6.586 3.832 515 2HB LYS 69 2HB LYS 69 -13.922 -5.689 5.319 516 1HG LYS 69 1HG LYS 69 -15.187 -4.661 2.763 517 2HG LYS 69 2HG LYS 69 -15.794 -4.538 4.431 518 1HD LYS 69 1HD LYS 69 -13.664 -3.148 4.908 519 2HD LYS 69 2HD LYS 69 -13.499 -3.030 3.140 520 1HE LYS 69 1HE LYS 69 -14.755 -1.110 4.195 521 2HE LYS 69 2HE LYS 69 -15.662 -1.976 2.936 522 1HZ LYS 69 1HZ LYS 69 -17.071 -2.808 4.435 523 2HZ LYS 69 2HZ LYS 69 -15.967 -2.881 5.658 524 3HZ LYS 69 3HZ LYS 69 -16.668 -1.441 5.265 525 H TRP 70 H TRP 70 -10.616 -5.839 5.300 526 HA TRP 70 HA TRP 70 -9.044 -7.496 5.514 527 1HB TRP 70 1HB TRP 70 -11.323 -9.303 4.669 528 2HB TRP 70 2HB TRP 70 -9.922 -9.733 5.660 529 HD1 TRP 70 HD TRP 70 -13.435 -8.781 5.935 530 HE1 TRP 70 1HE TRP 70 -14.089 -8.170 8.320 531 HE3 TRP 70 3HE TRP 70 -8.757 -8.312 7.960 532 HZ2 TRP 70 2HZ TRP 70 -12.752 -7.550 10.811 533 HZ3 TRP 70 3HZ TRP 70 -8.488 -7.711 10.338 534 HH2 TRP 70 HH TRP 70 -10.470 -7.328 11.774 535 H GLY 71 H GLY 71 -9.295 -6.197 2.877 536 1HA GLY 71 1HA GLY 71 -8.946 -8.265 0.870 537 2HA GLY 71 2HA GLY 71 -8.691 -6.517 0.667 538 H SER 72 H SER 72 -6.969 -8.614 -0.351 539 HA SER 72 HA SER 72 -4.485 -7.836 1.074 540 1HB SER 72 1HB SER 72 -3.984 -10.427 0.219 541 2HB SER 72 2HB SER 72 -4.345 -9.937 1.892 542 HG SER 72 HG SER 72 -5.836 -11.455 1.401 543 H TRP 73 H TRP 73 -2.548 -8.076 -0.286 544 HA TRP 73 HA TRP 73 -3.153 -8.248 -3.187 545 1HB TRP 73 1HB TRP 73 -3.138 -5.855 -2.302 546 2HB TRP 73 2HB TRP 73 -1.418 -6.091 -1.963 547 HD1 TRP 73 HD TRP 73 -3.041 -7.462 -5.136 548 HE1 TRP 73 1HE TRP 73 -2.085 -6.282 -7.181 549 HE3 TRP 73 3HE TRP 73 -0.263 -3.871 -2.771 550 HZ2 TRP 73 2HZ TRP 73 -0.327 -4.051 -7.735 551 HZ3 TRP 73 3HZ TRP 73 1.037 -2.240 -4.089 552 HH2 TRP 73 HH TRP 73 1.016 -2.315 -6.565 553 H ASN 74 H ASN 74 -1.295 -8.761 -4.498 554 HA ASN 74 HA ASN 74 1.314 -9.141 -3.543 555 1HB ASN 74 1HB ASN 74 1.354 -11.595 -3.204 556 2HB ASN 74 2HB ASN 74 0.361 -10.767 -1.985 557 1HD2 ASN 74 1HD2 ASN 74 0.338 -13.593 -3.185 558 2HD2 ASN 74 2HD2 ASN 74 -1.325 -13.833 -3.677 559 HA PRO 75 HA PRO 75 0.459 -9.688 -8.053 560 1HB PRO 75 1HB PRO 75 2.118 -7.713 -8.932 561 2HB PRO 75 2HB PRO 75 0.488 -7.355 -8.272 562 1HG PRO 75 1HG PRO 75 3.130 -7.278 -6.786 563 2HG PRO 75 2HG PRO 75 1.887 -5.987 -6.865 564 1HD PRO 75 1HD PRO 75 1.980 -7.745 -4.785 565 2HD PRO 75 2HD PRO 75 0.408 -7.234 -5.471 566 H GLY 76 H GLY 76 3.719 -8.558 -6.972 567 1HA GLY 76 1HA GLY 76 5.110 -10.899 -6.809 568 2HA GLY 76 2HA GLY 76 5.005 -10.630 -8.564 569 H HIS 77 H HIS 77 5.756 -8.819 -5.532 570 HA HIS 77 HA HIS 77 7.418 -7.319 -5.056 571 1HB HIS 77 1HB HIS 77 8.896 -9.126 -5.837 572 2HB HIS 77 2HB HIS 77 8.727 -8.551 -7.506 573 HD1 HIS 77 1HD HIS 77 9.332 -5.559 -7.349 574 HD2 HIS 77 2HD HIS 77 11.257 -8.483 -4.993 575 HE1 HIS 77 1HE HIS 77 11.568 -4.539 -6.595 576 HE2 HIS 77 2HE HIS 77 12.727 -6.325 -5.166 577 H ILE 78 H ILE 78 6.559 -5.319 -5.323 578 HA ILE 78 HA ILE 78 6.237 -4.271 -8.070 579 HB ILE 78 HB ILE 78 5.396 -3.120 -5.381 580 1HG1 ILE 78 1HG1 ILE 78 4.401 -5.388 -6.526 581 2HG1 ILE 78 2HG1 ILE 78 3.416 -4.256 -5.568 582 1HG2 ILE 78 1HG2 ILE 78 3.845 -1.801 -6.942 583 2HG2 ILE 78 2HG2 ILE 78 5.567 -1.352 -6.986 584 3HG2 ILE 78 3HG2 ILE 78 4.877 -2.363 -8.279 585 1HD1 ILE 78 1HD1 ILE 78 2.610 -4.967 -7.976 586 2HD1 ILE 78 2HD1 ILE 78 2.468 -3.267 -7.467 587 3HD1 ILE 78 3HD1 ILE 78 3.809 -3.771 -8.523 588 H HIS 79 H HIS 79 7.170 -2.269 -8.713 589 HA HIS 79 HA HIS 79 9.857 -1.901 -8.078 590 1HB HIS 79 1HB HIS 79 9.116 -0.906 -10.054 591 2HB HIS 79 2HB HIS 79 7.716 -0.152 -9.269 592 HD1 HIS 79 1HD HIS 79 11.519 0.201 -8.494 593 HD2 HIS 79 2HD HIS 79 8.040 2.415 -9.387 594 HE1 HIS 79 1HE HIS 79 12.179 2.682 -8.382 595 HE2 HIS 79 2HE HIS 79 10.058 4.017 -8.925 596 H GLU 80 H GLU 80 7.416 0.604 -7.246 597 HA GLU 80 HA GLU 80 8.185 0.585 -4.443 598 1HB GLU 80 1HB GLU 80 10.104 1.774 -5.463 599 2HB GLU 80 2HB GLU 80 8.980 2.937 -6.204 600 1HG GLU 80 1HG GLU 80 8.473 2.599 -3.342 601 2HG GLU 80 2HG GLU 80 10.140 3.126 -3.658 602 H ILE 81 H ILE 81 6.803 1.899 -3.161 603 HA ILE 81 HA ILE 81 4.226 2.406 -4.429 604 HB ILE 81 HB ILE 81 5.271 2.654 -1.586 605 1HG1 ILE 81 1HG1 ILE 81 4.924 0.368 -2.677 606 2HG1 ILE 81 2HG1 ILE 81 3.989 0.661 -1.191 607 1HG2 ILE 81 1HG2 ILE 81 2.535 3.226 -2.786 608 2HG2 ILE 81 2HG2 ILE 81 2.779 2.881 -1.057 609 3HG2 ILE 81 3HG2 ILE 81 3.543 4.309 -1.796 610 1HD1 ILE 81 1HD1 ILE 81 2.574 1.592 -3.584 611 2HD1 ILE 81 2HD1 ILE 81 2.954 -0.145 -3.665 612 3HD1 ILE 81 3HD1 ILE 81 2.020 0.499 -2.293 613 H LEU 82 H LEU 82 3.288 4.376 -4.840 614 HA LEU 82 HA LEU 82 5.118 6.682 -4.817 615 1HB LEU 82 1HB LEU 82 2.311 6.354 -5.947 616 2HB LEU 82 2HB LEU 82 3.409 7.725 -6.234 617 HG LEU 82 HG LEU 82 3.501 4.936 -7.320 618 1HD1 LEU 82 1HD1 LEU 82 4.718 6.437 -9.139 619 2HD1 LEU 82 2HD1 LEU 82 2.949 6.508 -8.950 620 3HD1 LEU 82 3HD1 LEU 82 3.973 7.771 -8.226 621 1HD2 LEU 82 1HD2 LEU 82 5.950 6.581 -6.564 622 2HD2 LEU 82 2HD2 LEU 82 5.552 4.928 -6.035 623 3HD2 LEU 82 3HD2 LEU 82 5.983 5.239 -7.734 624 H SER 83 H SER 83 1.632 6.198 -4.001 625 HA SER 83 HA SER 83 2.075 7.670 -1.481 626 1HB SER 83 1HB SER 83 1.478 9.303 -3.356 627 2HB SER 83 2HB SER 83 -0.106 8.495 -3.423 628 HG SER 83 HG SER 83 0.824 9.233 -0.913 629 H ILE 84 H ILE 84 -0.047 7.678 -0.180 630 HA ILE 84 HA ILE 84 -1.629 5.230 -0.776 631 HB ILE 84 HB ILE 84 -0.182 6.003 1.769 632 1HG1 ILE 84 1HG1 ILE 84 -0.466 3.407 0.194 633 2HG1 ILE 84 2HG1 ILE 84 0.937 4.502 0.137 634 1HG2 ILE 84 1HG2 ILE 84 -2.829 4.731 1.434 635 2HG2 ILE 84 2HG2 ILE 84 -1.681 3.762 2.390 636 3HG2 ILE 84 3HG2 ILE 84 -2.074 5.425 2.889 637 1HD1 ILE 84 1HD1 ILE 84 1.003 4.209 2.722 638 2HD1 ILE 84 2HD1 ILE 84 -0.052 2.803 2.444 639 3HD1 ILE 84 3HD1 ILE 84 1.571 2.856 1.715 640 H ARG 85 H ARG 85 -3.783 5.534 -0.627 641 HA ARG 85 HA ARG 85 -4.712 7.993 0.784 642 1HB ARG 85 1HB ARG 85 -5.033 8.476 -1.499 643 2HB ARG 85 2HB ARG 85 -5.490 6.800 -1.885 644 1HG ARG 85 1HG ARG 85 -7.582 7.041 -0.641 645 2HG ARG 85 2HG ARG 85 -7.114 8.676 -0.115 646 1HD ARG 85 1HD ARG 85 -6.973 9.320 -2.562 647 2HD ARG 85 2HD ARG 85 -7.681 7.738 -2.953 648 HE ARG 85 HE ARG 85 -9.271 9.157 -1.008 649 1HH1 ARG 85 1HH1 ARG 85 -11.611 10.202 -3.431 650 2HH1 ARG 85 2HH1 ARG 85 -11.295 10.014 -1.721 651 1HH2 ARG 85 1HH2 ARG 85 -9.998 9.592 -4.984 652 2HH2 ARG 85 2HH2 ARG 85 -8.466 8.943 -4.444 653 H ILE 86 H ILE 86 -6.228 7.683 2.319 654 HA ILE 86 HA ILE 86 -7.473 4.977 2.456 655 HB ILE 86 HB ILE 86 -6.913 6.942 4.711 656 1HG1 ILE 86 1HG1 ILE 86 -5.500 4.306 4.296 657 2HG1 ILE 86 2HG1 ILE 86 -4.936 5.754 3.428 658 1HG2 ILE 86 1HG2 ILE 86 -7.252 4.131 5.395 659 2HG2 ILE 86 2HG2 ILE 86 -8.139 5.551 5.999 660 3HG2 ILE 86 3HG2 ILE 86 -8.671 4.739 4.507 661 1HD1 ILE 86 1HD1 ILE 86 -4.782 6.966 5.602 662 2HD1 ILE 86 2HD1 ILE 86 -5.276 5.478 6.445 663 3HD1 ILE 86 3HD1 ILE 86 -3.732 5.529 5.560 664 H TYR 87 H TYR 87 -9.672 4.830 2.554 665 HA TYR 87 HA TYR 87 -11.171 7.288 2.024 666 1HB TYR 87 1HB TYR 87 -11.873 4.343 2.142 667 2HB TYR 87 2HB TYR 87 -13.084 5.610 1.881 668 HD1 TYR 87 1HD TYR 87 -13.695 5.995 -0.309 669 HD2 TYR 87 2HD TYR 87 -9.695 4.674 0.531 670 HE1 TYR 87 1HE TYR 87 -13.190 5.980 -2.737 671 HE2 TYR 87 2HE TYR 87 -9.190 4.659 -1.897 672 HH TYR 87 HH TYR 87 -10.761 6.190 -4.173 Start of MODEL 29 1 H MET 1 H MET 1 -3.316 14.042 9.650 2 HA MET 1 HA MET 1 -3.701 12.466 7.574 3 1HB MET 1 1HB MET 1 -1.289 13.920 8.520 4 2HB MET 1 2HB MET 1 -1.009 12.727 7.229 5 1HG MET 1 1HG MET 1 -1.670 14.371 5.831 6 2HG MET 1 2HG MET 1 -3.306 13.939 6.357 7 1HE MET 1 1HE MET 1 -4.873 15.737 6.643 8 2HE MET 1 2HE MET 1 -4.396 17.451 6.689 9 3HE MET 1 3HE MET 1 -3.875 16.418 5.336 10 H ILE 2 H ILE 2 -2.520 10.670 6.499 11 HA ILE 2 HA ILE 2 -2.534 8.334 8.050 12 HB ILE 2 HB ILE 2 -2.714 8.383 5.591 13 1HG1 ILE 2 1HG1 ILE 2 -0.261 6.848 6.552 14 2HG1 ILE 2 2HG1 ILE 2 -1.947 6.320 6.771 15 1HG2 ILE 2 1HG2 ILE 2 -1.060 9.176 4.199 16 2HG2 ILE 2 2HG2 ILE 2 -0.687 10.168 5.629 17 3HG2 ILE 2 3HG2 ILE 2 0.249 8.690 5.302 18 1HD1 ILE 2 1HD1 ILE 2 -1.990 5.475 4.682 19 2HD1 ILE 2 2HD1 ILE 2 -1.522 7.054 4.006 20 3HD1 ILE 2 3HD1 ILE 2 -0.269 5.895 4.510 21 H ASN 3 H ASN 3 -0.953 7.106 9.071 22 HA ASN 3 HA ASN 3 1.783 8.237 9.172 23 1HB ASN 3 1HB ASN 3 -0.205 8.319 11.301 24 2HB ASN 3 2HB ASN 3 1.226 7.385 11.788 25 1HD2 ASN 3 1HD2 ASN 3 0.746 9.709 13.133 26 2HD2 ASN 3 2HD2 ASN 3 1.887 10.948 12.656 27 H ARG 4 H ARG 4 3.398 6.702 9.705 28 HA ARG 4 HA ARG 4 2.724 4.000 8.917 29 1HB ARG 4 1HB ARG 4 4.949 5.507 8.690 30 2HB ARG 4 2HB ARG 4 5.351 4.636 10.190 31 1HG ARG 4 1HG ARG 4 4.171 2.899 8.123 32 2HG ARG 4 2HG ARG 4 5.699 3.656 7.612 33 1HD ARG 4 1HD ARG 4 5.453 2.404 10.352 34 2HD ARG 4 2HD ARG 4 5.770 1.388 8.929 35 HE ARG 4 HE ARG 4 7.606 3.498 8.804 36 1HH1 ARG 4 1HH1 ARG 4 10.100 2.042 10.829 37 2HH1 ARG 4 2HH1 ARG 4 9.755 3.257 9.619 38 1HH2 ARG 4 1HH2 ARG 4 8.400 0.673 11.618 39 2HH2 ARG 4 2HH2 ARG 4 6.773 0.856 11.001 40 H THR 5 H THR 5 1.675 2.665 10.278 41 HA THR 5 HA THR 5 2.472 2.749 13.150 42 HB THR 5 HB THR 5 0.106 3.393 12.643 43 HG1 THR 5 1HG THR 5 -0.227 2.494 14.491 44 1HG2 THR 5 1HG2 THR 5 0.254 0.745 11.246 45 2HG2 THR 5 2HG2 THR 5 -1.260 1.139 12.094 46 3HG2 THR 5 3HG2 THR 5 -0.653 2.213 10.810 47 H ASP 6 H ASP 6 2.664 0.724 14.259 48 HA ASP 6 HA ASP 6 3.607 -1.417 12.467 49 1HB ASP 6 1HB ASP 6 4.527 -0.358 14.859 50 2HB ASP 6 2HB ASP 6 3.730 -1.862 15.371 51 H CYS 7 H CYS 7 0.741 -0.836 12.605 52 HA CYS 7 HA CYS 7 -1.272 -1.879 12.989 53 1HB CYS 7 1HB CYS 7 -0.817 -4.547 12.869 54 2HB CYS 7 2HB CYS 7 -0.898 -3.489 11.451 55 H ASN 8 H ASN 8 -1.586 -1.197 15.161 56 HA ASN 8 HA ASN 8 -0.700 -3.084 17.263 57 1HB ASN 8 1HB ASN 8 -2.083 -0.387 17.494 58 2HB ASN 8 2HB ASN 8 -1.341 -1.321 18.811 59 1HD2 ASN 8 1HD2 ASN 8 -0.663 0.406 15.748 60 2HD2 ASN 8 2HD2 ASN 8 1.009 0.772 16.112 61 H GLU 9 H GLU 9 -3.251 -2.738 15.152 62 HA GLU 9 HA GLU 9 -4.964 -4.392 16.857 63 1HB GLU 9 1HB GLU 9 -5.657 -2.137 17.515 64 2HB GLU 9 2HB GLU 9 -5.868 -1.682 15.807 65 1HG GLU 9 1HG GLU 9 -7.419 -3.860 15.800 66 2HG GLU 9 2HG GLU 9 -7.540 -3.484 17.533 67 H ASN 10 H ASN 10 -5.855 -5.947 15.628 68 HA ASN 10 HA ASN 10 -5.292 -6.327 12.945 69 1HB ASN 10 1HB ASN 10 -7.387 -7.311 14.840 70 2HB ASN 10 2HB ASN 10 -7.627 -7.636 13.110 71 1HD2 ASN 10 1HD2 ASN 10 -6.587 -9.341 12.205 72 2HD2 ASN 10 2HD2 ASN 10 -5.285 -10.235 12.959 73 H SER 11 H SER 11 -6.943 -6.425 11.107 74 HA SER 11 HA SER 11 -8.415 -5.373 9.697 75 1HB SER 11 1HB SER 11 -10.299 -5.177 10.935 76 2HB SER 11 2HB SER 11 -9.402 -4.659 12.383 77 HG SER 11 HG SER 11 -9.458 -2.605 11.703 78 H TYR 12 H TYR 12 -6.266 -4.507 8.948 79 HA TYR 12 HA TYR 12 -6.476 -1.636 8.654 80 1HB TYR 12 1HB TYR 12 -4.551 -2.853 10.578 81 2HB TYR 12 2HB TYR 12 -3.926 -1.579 9.518 82 HD1 TYR 12 1HD TYR 12 -6.618 -0.041 9.339 83 HD2 TYR 12 2HD TYR 12 -4.347 -1.613 12.629 84 HE1 TYR 12 1HE TYR 12 -7.593 1.680 10.834 85 HE2 TYR 12 2HE TYR 12 -5.322 0.108 14.124 86 HH TYR 12 HH TYR 12 -7.867 2.334 13.052 87 H LEU 13 H LEU 13 -4.487 -0.828 7.348 88 HA LEU 13 HA LEU 13 -4.026 -2.837 5.239 89 1HB LEU 13 1HB LEU 13 -4.761 -0.803 4.328 90 2HB LEU 13 2HB LEU 13 -3.791 0.167 5.461 91 HG LEU 13 HG LEU 13 -1.793 -1.195 4.264 92 1HD1 LEU 13 1HD1 LEU 13 -2.858 -0.793 1.704 93 2HD1 LEU 13 2HD1 LEU 13 -2.561 -2.363 2.486 94 3HD1 LEU 13 3HD1 LEU 13 -4.167 -1.604 2.596 95 1HD2 LEU 13 1HD2 LEU 13 -2.929 1.415 4.142 96 2HD2 LEU 13 2HD2 LEU 13 -1.268 0.930 3.726 97 3HD2 LEU 13 3HD2 LEU 13 -2.530 0.951 2.471 98 H GLU 14 H GLU 14 -2.086 -3.775 4.835 99 HA GLU 14 HA GLU 14 0.324 -2.622 6.108 100 1HB GLU 14 1HB GLU 14 -0.468 -5.548 6.362 101 2HB GLU 14 2HB GLU 14 0.963 -4.756 7.063 102 1HG GLU 14 1HG GLU 14 -0.388 -4.583 8.901 103 2HG GLU 14 2HG GLU 14 -0.983 -3.143 8.048 104 H ILE 15 H ILE 15 1.856 -2.438 4.595 105 HA ILE 15 HA ILE 15 1.725 -4.287 2.263 106 HB ILE 15 HB ILE 15 3.066 -1.565 2.437 107 1HG1 ILE 15 1HG1 ILE 15 0.458 -2.103 1.014 108 2HG1 ILE 15 2HG1 ILE 15 0.452 -1.747 2.758 109 1HG2 ILE 15 1HG2 ILE 15 3.357 -3.632 0.617 110 2HG2 ILE 15 2HG2 ILE 15 2.086 -2.638 -0.134 111 3HG2 ILE 15 3HG2 ILE 15 3.659 -1.912 0.271 112 1HD1 ILE 15 1HD1 ILE 15 0.318 0.208 0.932 113 2HD1 ILE 15 2HD1 ILE 15 1.208 0.421 2.459 114 3HD1 ILE 15 3HD1 ILE 15 2.088 0.021 0.965 115 H HIS 16 H HIS 16 3.282 -5.785 2.143 116 HA HIS 16 HA HIS 16 5.837 -5.233 3.579 117 1HB HIS 16 1HB HIS 16 5.990 -7.691 3.864 118 2HB HIS 16 2HB HIS 16 4.577 -6.993 4.678 119 HD1 HIS 16 1HD HIS 16 5.482 -9.624 2.186 120 HD2 HIS 16 2HD HIS 16 2.141 -7.290 3.277 121 HE1 HIS 16 1HE HIS 16 3.421 -10.769 1.164 122 HE2 HIS 16 2HE HIS 16 1.399 -9.343 1.833 123 H ASN 17 H ASN 17 7.168 -4.528 1.966 124 HA ASN 17 HA ASN 17 7.179 -6.063 -0.575 125 1HB ASN 17 1HB ASN 17 8.539 -4.131 -1.393 126 2HB ASN 17 2HB ASN 17 6.918 -3.667 -0.832 127 1HD2 ASN 17 1HD2 ASN 17 6.671 -2.470 1.102 128 2HD2 ASN 17 2HD2 ASN 17 8.026 -1.678 1.878 129 H ASN 18 H ASN 18 9.717 -5.669 -1.473 130 HA ASN 18 HA ASN 18 11.815 -6.576 -1.359 131 1HB ASN 18 1HB ASN 18 11.353 -5.432 1.371 132 2HB ASN 18 2HB ASN 18 12.768 -6.480 1.135 133 1HD2 ASN 18 1HD2 ASN 18 12.158 -3.386 1.428 134 2HD2 ASN 18 2HD2 ASN 18 13.185 -2.682 0.198 135 H GLU 19 H GLU 19 9.241 -8.168 -0.632 136 HA GLU 19 HA GLU 19 8.820 -10.395 -0.281 137 1HB GLU 19 1HB GLU 19 11.839 -10.646 0.015 138 2HB GLU 19 2HB GLU 19 10.688 -11.984 -0.219 139 1HG GLU 19 1HG GLU 19 10.062 -11.148 -2.404 140 2HG GLU 19 2HG GLU 19 11.006 -9.663 -2.160 141 H GLY 20 H GLY 20 7.892 -9.297 1.713 142 1HA GLY 20 1HA GLY 20 7.591 -9.205 3.993 143 2HA GLY 20 2HA GLY 20 8.261 -10.852 3.981 144 H ARG 21 H ARG 21 9.945 -7.851 3.017 145 HA ARG 21 HA ARG 21 11.988 -8.444 5.077 146 1HB ARG 21 1HB ARG 21 12.361 -7.985 2.489 147 2HB ARG 21 2HB ARG 21 12.261 -6.284 3.004 148 1HG ARG 21 1HG ARG 21 14.040 -8.289 4.430 149 2HG ARG 21 2HG ARG 21 14.603 -7.376 3.009 150 1HD ARG 21 1HD ARG 21 13.581 -5.327 4.404 151 2HD ARG 21 2HD ARG 21 13.931 -6.410 5.768 152 HE ARG 21 HE ARG 21 15.839 -4.922 4.210 153 1HH1 ARG 21 1HH1 ARG 21 18.590 -6.694 5.527 154 2HH1 ARG 21 2HH1 ARG 21 18.080 -5.265 4.656 155 1HH2 ARG 21 1HH2 ARG 21 17.016 -8.244 6.235 156 2HH2 ARG 21 2HH2 ARG 21 15.319 -7.985 5.898 157 H ASP 22 H ASP 22 10.058 -5.692 3.770 158 HA ASP 22 HA ASP 22 10.203 -4.479 6.485 159 1HB ASP 22 1HB ASP 22 10.567 -3.126 3.788 160 2HB ASP 22 2HB ASP 22 10.302 -2.253 5.313 161 H THR 23 H THR 23 8.189 -4.455 7.289 162 HA THR 23 HA THR 23 5.927 -4.238 5.379 163 HB THR 23 HB THR 23 6.040 -5.087 8.300 164 HG1 THR 23 1HG THR 23 6.884 -6.659 7.005 165 1HG2 THR 23 1HG2 THR 23 3.705 -5.535 6.451 166 2HG2 THR 23 2HG2 THR 23 3.734 -5.397 8.225 167 3HG2 THR 23 3HG2 THR 23 3.901 -3.940 7.216 168 H LEU 24 H LEU 24 4.227 -2.732 5.757 169 HA LEU 24 HA LEU 24 4.835 -0.585 7.713 170 1HB LEU 24 1HB LEU 24 3.909 0.061 4.909 171 2HB LEU 24 2HB LEU 24 4.676 1.126 6.111 172 HG LEU 24 HG LEU 24 6.471 -1.045 5.659 173 1HD1 LEU 24 1HD1 LEU 24 5.503 -1.609 3.566 174 2HD1 LEU 24 2HD1 LEU 24 5.185 0.094 3.159 175 3HD1 LEU 24 3HD1 LEU 24 6.853 -0.527 3.148 176 1HD2 LEU 24 1HD2 LEU 24 7.514 0.946 6.158 177 2HD2 LEU 24 2HD2 LEU 24 7.627 1.037 4.383 178 3HD2 LEU 24 3HD2 LEU 24 6.337 1.915 5.240 179 H CYS 25 H CYS 25 3.123 -0.641 9.048 180 HA CYS 25 HA CYS 25 0.468 -1.318 7.934 181 1HB CYS 25 1HB CYS 25 1.093 -0.793 10.833 182 2HB CYS 25 2HB CYS 25 -0.165 -1.822 10.129 183 H PHE 26 H PHE 26 -0.852 0.282 7.315 184 HA PHE 26 HA PHE 26 -0.437 2.966 8.536 185 1HB PHE 26 1HB PHE 26 -1.669 2.094 5.903 186 2HB PHE 26 2HB PHE 26 -1.670 3.761 6.503 187 HD1 PHE 26 1HD PHE 26 0.307 1.098 4.964 188 HD2 PHE 26 2HD PHE 26 0.451 5.027 6.695 189 HE1 PHE 26 1HE PHE 26 2.543 1.462 3.953 190 HE2 PHE 26 2HE PHE 26 2.686 5.390 5.684 191 HZ PHE 26 HZ PHE 26 3.732 3.608 4.313 192 H ALA 27 H ALA 27 -2.273 4.184 9.199 193 HA ALA 27 HA ALA 27 -4.832 2.705 9.359 194 1HB ALA 27 1HB ALA 27 -3.420 2.309 11.447 195 2HB ALA 27 2HB ALA 27 -3.578 4.052 11.775 196 3HB ALA 27 3HB ALA 27 -5.028 3.021 11.722 197 H ASN 28 H ASN 28 -6.525 4.279 10.435 198 HA ASN 28 HA ASN 28 -7.658 6.269 10.331 199 1HB ASN 28 1HB ASN 28 -4.809 7.252 10.089 200 2HB ASN 28 2HB ASN 28 -6.183 8.372 9.960 201 1HD2 ASN 28 1HD2 ASN 28 -3.954 7.153 12.082 202 2HD2 ASN 28 2HD2 ASN 28 -4.839 7.317 13.583 203 H ALA 29 H ALA 29 -8.765 7.419 8.752 204 HA ALA 29 HA ALA 29 -8.492 6.495 6.073 205 1HB ALA 29 1HB ALA 29 -10.403 7.734 5.668 206 2HB ALA 29 2HB ALA 29 -10.505 7.575 7.438 207 3HB ALA 29 3HB ALA 29 -9.885 9.078 6.714 208 H GLY 30 H GLY 30 -6.545 8.600 7.801 209 1HA GLY 30 1HA GLY 30 -6.041 10.807 6.231 210 2HA GLY 30 2HA GLY 30 -4.776 9.901 7.091 211 H THR 31 H THR 31 -4.439 11.261 4.562 212 HA THR 31 HA THR 31 -3.653 8.912 2.934 213 HB THR 31 HB THR 31 -5.262 11.312 1.995 214 HG1 THR 31 1HG THR 31 -6.741 9.857 2.234 215 1HG2 THR 31 1HG2 THR 31 -3.420 10.932 0.422 216 2HG2 THR 31 2HG2 THR 31 -3.773 9.187 0.395 217 3HG2 THR 31 3HG2 THR 31 -4.942 10.342 -0.288 218 H MET 32 H MET 32 -1.523 9.041 2.583 219 HA MET 32 HA MET 32 -0.351 11.700 2.016 220 1HB MET 32 1HB MET 32 1.328 11.514 3.655 221 2HB MET 32 2HB MET 32 -0.143 10.986 4.508 222 1HG MET 32 1HG MET 32 0.424 8.631 3.997 223 2HG MET 32 2HG MET 32 1.903 9.169 3.183 224 1HE MET 32 1HE MET 32 1.613 6.968 5.729 225 2HE MET 32 2HE MET 32 2.967 7.285 4.617 226 3HE MET 32 3HE MET 32 3.225 7.358 6.377 227 HA PRO 33 HA PRO 33 1.875 9.486 -1.048 228 1HB PRO 33 1HB PRO 33 4.176 10.929 -1.266 229 2HB PRO 33 2HB PRO 33 2.578 11.628 -1.686 230 1HG PRO 33 1HG PRO 33 4.066 11.890 0.943 231 2HG PRO 33 2HG PRO 33 3.384 13.213 -0.058 232 1HD PRO 33 1HD PRO 33 2.003 12.166 2.046 233 2HD PRO 33 2HD PRO 33 1.156 12.599 0.529 234 H VAL 34 H VAL 34 3.068 7.640 -1.064 235 HA VAL 34 HA VAL 34 5.167 7.316 1.014 236 HB VAL 34 HB VAL 34 4.352 5.142 1.609 237 1HG1 VAL 34 1HG1 VAL 34 1.996 5.681 2.362 238 2HG1 VAL 34 2HG1 VAL 34 3.199 6.925 2.778 239 3HG1 VAL 34 3HG1 VAL 34 2.095 7.177 1.405 240 1HG2 VAL 34 1HG2 VAL 34 1.962 4.641 0.399 241 2HG2 VAL 34 2HG2 VAL 34 2.811 5.483 -0.919 242 3HG2 VAL 34 3HG2 VAL 34 3.516 4.015 -0.201 243 H ALA 35 H ALA 35 6.690 5.546 0.484 244 HA ALA 35 HA ALA 35 6.767 4.973 -2.437 245 1HB ALA 35 1HB ALA 35 9.036 5.896 -0.632 246 2HB ALA 35 2HB ALA 35 9.250 5.281 -2.289 247 3HB ALA 35 3HB ALA 35 8.334 6.781 -2.008 248 H ILE 36 H ILE 36 6.485 2.829 -2.618 249 HA ILE 36 HA ILE 36 8.075 1.088 -0.804 250 HB ILE 36 HB ILE 36 5.144 0.887 -1.556 251 1HG1 ILE 36 1HG1 ILE 36 5.976 0.223 1.165 252 2HG1 ILE 36 2HG1 ILE 36 6.536 1.846 0.693 253 1HG2 ILE 36 1HG2 ILE 36 7.105 -1.245 -0.659 254 2HG2 ILE 36 2HG2 ILE 36 5.368 -1.370 -0.292 255 3HG2 ILE 36 3HG2 ILE 36 5.918 -1.313 -1.984 256 1HD1 ILE 36 1HD1 ILE 36 3.766 0.820 1.087 257 2HD1 ILE 36 2HD1 ILE 36 4.422 2.458 1.326 258 3HD1 ILE 36 3HD1 ILE 36 4.001 1.897 -0.310 259 H TYR 37 H TYR 37 9.552 0.123 -2.069 260 HA TYR 37 HA TYR 37 8.798 -0.510 -4.869 261 1HB TYR 37 1HB TYR 37 11.506 -0.494 -3.496 262 2HB TYR 37 2HB TYR 37 11.209 -0.742 -5.225 263 HD1 TYR 37 1HD TYR 37 10.756 1.751 -2.469 264 HD2 TYR 37 2HD TYR 37 11.139 1.081 -6.695 265 HE1 TYR 37 1HE TYR 37 10.897 4.199 -2.845 266 HE2 TYR 37 2HE TYR 37 11.280 3.529 -7.070 267 HH TYR 37 HH TYR 37 12.003 5.747 -4.886 268 H GLY 38 H GLY 38 8.616 -2.584 -5.577 269 1HA GLY 38 1HA GLY 38 8.772 -4.892 -5.565 270 2HA GLY 38 2HA GLY 38 9.829 -4.796 -4.139 271 H VAL 39 H VAL 39 6.396 -4.249 -5.107 272 HA VAL 39 HA VAL 39 5.478 -4.742 -2.383 273 HB VAL 39 HB VAL 39 3.910 -4.460 -4.975 274 1HG1 VAL 39 1HG1 VAL 39 3.245 -4.719 -2.076 275 2HG1 VAL 39 2HG1 VAL 39 2.338 -3.488 -2.986 276 3HG1 VAL 39 3HG1 VAL 39 2.300 -5.189 -3.509 277 1HG2 VAL 39 1HG2 VAL 39 5.581 -2.570 -3.859 278 2HG2 VAL 39 2HG2 VAL 39 4.136 -2.199 -4.830 279 3HG2 VAL 39 3HG2 VAL 39 4.035 -2.211 -3.053 280 H ASN 40 H ASN 40 5.037 -6.689 -1.537 281 HA ASN 40 HA ASN 40 4.873 -8.992 -3.404 282 1HB ASN 40 1HB ASN 40 5.151 -9.133 -0.398 283 2HB ASN 40 2HB ASN 40 5.623 -10.333 -1.620 284 1HD2 ASN 40 1HD2 ASN 40 7.374 -9.643 -3.182 285 2HD2 ASN 40 2HD2 ASN 40 8.675 -8.657 -2.550 286 H TRP 41 H TRP 41 3.285 -7.544 -0.515 287 HA TRP 41 HA TRP 41 0.681 -8.330 -1.518 288 1HB TRP 41 1HB TRP 41 1.175 -10.460 -0.640 289 2HB TRP 41 2HB TRP 41 1.989 -9.785 0.779 290 HD1 TRP 41 HD TRP 41 -0.053 -7.994 2.088 291 HE1 TRP 41 1HE TRP 41 -2.260 -8.833 3.042 292 HE3 TRP 41 3HE TRP 41 -0.503 -12.323 -0.606 293 HZ2 TRP 41 2HZ TRP 41 -4.016 -11.106 2.687 294 HZ3 TRP 41 3HZ TRP 41 -2.453 -13.797 -0.270 295 HH2 TRP 41 HH TRP 41 -4.214 -13.205 1.368 296 H VAL 42 H VAL 42 -1.029 -7.325 -0.348 297 HA VAL 42 HA VAL 42 -0.123 -5.413 1.749 298 HB VAL 42 HB VAL 42 -1.881 -4.915 -0.678 299 1HG1 VAL 42 1HG1 VAL 42 -3.104 -3.750 0.911 300 2HG1 VAL 42 2HG1 VAL 42 -1.703 -3.538 1.988 301 3HG1 VAL 42 3HG1 VAL 42 -1.865 -2.530 0.530 302 1HG2 VAL 42 1HG2 VAL 42 -0.123 -2.847 -0.481 303 2HG2 VAL 42 2HG2 VAL 42 0.844 -4.146 0.260 304 3HG2 VAL 42 3HG2 VAL 42 0.219 -4.336 -1.395 305 H GLU 43 H GLU 43 -1.629 -4.977 3.392 306 HA GLU 43 HA GLU 43 -3.857 -6.943 3.502 307 1HB GLU 43 1HB GLU 43 -2.148 -5.559 5.573 308 2HB GLU 43 2HB GLU 43 -3.737 -6.230 6.009 309 1HG GLU 43 1HG GLU 43 -3.001 -8.416 4.968 310 2HG GLU 43 2HG GLU 43 -1.377 -7.716 4.791 311 H SER 44 H SER 44 -5.908 -6.240 4.408 312 HA SER 44 HA SER 44 -6.401 -3.372 4.630 313 1HB SER 44 1HB SER 44 -7.975 -4.864 2.525 314 2HB SER 44 2HB SER 44 -7.797 -3.109 2.761 315 HG SER 44 HG SER 44 -5.522 -3.466 2.256 316 H GLY 45 H GLY 45 -6.962 -4.103 6.776 317 1HA GLY 45 1HA GLY 45 -8.716 -6.110 7.494 318 2HA GLY 45 2HA GLY 45 -8.598 -4.549 8.337 319 H ASN 46 H ASN 46 -10.953 -4.954 8.735 320 HA ASN 46 HA ASN 46 -12.813 -4.937 6.556 321 1HB ASN 46 1HB ASN 46 -13.246 -5.738 8.904 322 2HB ASN 46 2HB ASN 46 -13.243 -4.039 9.427 323 1HD2 ASN 46 1HD2 ASN 46 -15.370 -6.315 9.151 324 2HD2 ASN 46 2HD2 ASN 46 -16.707 -5.513 8.355 325 H ASN 47 H ASN 47 -11.129 -3.042 5.722 326 HA ASN 47 HA ASN 47 -12.807 -0.640 5.811 327 1HB ASN 47 1HB ASN 47 -11.170 0.838 6.630 328 2HB ASN 47 2HB ASN 47 -11.070 -0.557 7.726 329 1HD2 ASN 47 1HD2 ASN 47 -9.570 -2.407 6.584 330 2HD2 ASN 47 2HD2 ASN 47 -7.989 -1.807 6.131 331 H VAL 48 H VAL 48 -12.458 0.740 4.020 332 HA VAL 48 HA VAL 48 -11.122 -0.622 1.777 333 HB VAL 48 HB VAL 48 -12.750 1.945 1.786 334 1HG1 VAL 48 1HG1 VAL 48 -11.957 1.927 -0.347 335 2HG1 VAL 48 2HG1 VAL 48 -11.434 0.230 -0.235 336 3HG1 VAL 48 3HG1 VAL 48 -13.133 0.615 -0.601 337 1HG2 VAL 48 1HG2 VAL 48 -14.502 0.181 0.858 338 2HG2 VAL 48 2HG2 VAL 48 -13.536 -0.964 1.820 339 3HG2 VAL 48 3HG2 VAL 48 -14.315 0.427 2.611 340 H VAL 49 H VAL 49 -9.173 -0.046 1.005 341 HA VAL 49 HA VAL 49 -8.168 2.677 1.626 342 HB VAL 49 HB VAL 49 -6.455 0.187 1.889 343 1HG1 VAL 49 1HG1 VAL 49 -6.199 3.140 2.497 344 2HG1 VAL 49 2HG1 VAL 49 -5.218 1.949 3.384 345 3HG1 VAL 49 3HG1 VAL 49 -5.079 2.076 1.614 346 1HG2 VAL 49 1HG2 VAL 49 -6.789 0.274 4.280 347 2HG2 VAL 49 2HG2 VAL 49 -7.763 1.758 4.145 348 3HG2 VAL 49 3HG2 VAL 49 -8.399 0.216 3.524 349 H THR 50 H THR 50 -7.197 3.641 -0.088 350 HA THR 50 HA THR 50 -6.949 2.009 -2.547 351 HB THR 50 HB THR 50 -7.322 4.927 -1.918 352 HG1 THR 50 1HG THR 50 -8.985 3.320 -2.515 353 1HG2 THR 50 1HG2 THR 50 -6.913 4.801 -4.676 354 2HG2 THR 50 2HG2 THR 50 -5.789 5.498 -3.485 355 3HG2 THR 50 3HG2 THR 50 -5.590 3.810 -4.014 356 H LEU 51 H LEU 51 -5.017 1.516 -3.436 357 HA LEU 51 HA LEU 51 -2.611 2.695 -2.137 358 1HB LEU 51 1HB LEU 51 -3.224 0.001 -3.361 359 2HB LEU 51 2HB LEU 51 -1.545 0.579 -3.232 360 HG LEU 51 HG LEU 51 -3.533 0.002 -1.022 361 1HD1 LEU 51 1HD1 LEU 51 -2.197 -1.821 -0.942 362 2HD1 LEU 51 2HD1 LEU 51 -1.023 -1.093 -2.064 363 3HD1 LEU 51 3HD1 LEU 51 -0.924 -0.743 -0.322 364 1HD2 LEU 51 1HD2 LEU 51 -1.098 1.826 -0.950 365 2HD2 LEU 51 2HD2 LEU 51 -2.770 2.225 -0.490 366 3HD2 LEU 51 3HD2 LEU 51 -1.817 1.100 0.507 367 H GLN 52 H GLN 52 -1.365 4.013 -3.326 368 HA GLN 52 HA GLN 52 -1.772 3.976 -6.278 369 1HB GLN 52 1HB GLN 52 -1.224 6.172 -4.280 370 2HB GLN 52 2HB GLN 52 -0.760 6.371 -5.987 371 1HG GLN 52 1HG GLN 52 -3.329 5.338 -6.163 372 2HG GLN 52 2HG GLN 52 -3.431 6.397 -4.740 373 1HE2 GLN 52 1HE2 GLN 52 -2.048 6.377 -8.079 374 2HE2 GLN 52 2HE2 GLN 52 -2.462 8.038 -8.443 375 H PHE 53 H PHE 53 -0.163 2.825 -7.196 376 HA PHE 53 HA PHE 53 2.610 3.520 -6.389 377 1HB PHE 53 1HB PHE 53 3.247 1.171 -6.521 378 2HB PHE 53 2HB PHE 53 1.993 1.405 -5.292 379 HD1 PHE 53 1HD PHE 53 -0.323 0.635 -5.698 380 HD2 PHE 53 2HD PHE 53 2.844 -0.146 -8.494 381 HE1 PHE 53 1HE PHE 53 -1.713 -1.107 -6.787 382 HE2 PHE 53 2HE PHE 53 1.453 -1.887 -9.583 383 HZ PHE 53 HZ PHE 53 -0.825 -2.368 -8.729 384 H GLN 54 H GLN 54 4.193 3.135 -8.081 385 HA GLN 54 HA GLN 54 2.945 3.360 -10.764 386 1HB GLN 54 1HB GLN 54 4.718 5.008 -9.580 387 2HB GLN 54 2HB GLN 54 5.857 3.856 -10.318 388 1HG GLN 54 1HG GLN 54 5.030 4.271 -12.506 389 2HG GLN 54 2HG GLN 54 3.560 5.058 -11.890 390 1HE2 GLN 54 1HE2 GLN 54 6.924 5.447 -12.751 391 2HE2 GLN 54 2HE2 GLN 54 7.030 7.170 -12.456 392 H ARG 55 H ARG 55 2.823 1.494 -11.862 393 HA ARG 55 HA ARG 55 4.125 -0.891 -11.232 394 1HB ARG 55 1HB ARG 55 2.219 -0.165 -12.998 395 2HB ARG 55 2HB ARG 55 3.598 -0.314 -14.114 396 1HG ARG 55 1HG ARG 55 2.801 -2.506 -14.096 397 2HG ARG 55 2HG ARG 55 4.018 -2.577 -12.799 398 1HD ARG 55 1HD ARG 55 2.448 -2.966 -11.224 399 2HD ARG 55 2HD ARG 55 1.427 -1.637 -11.815 400 HE ARG 55 HE ARG 55 0.189 -3.152 -13.074 401 1HH1 ARG 55 1HH1 ARG 55 0.624 -6.644 -13.320 402 2HH1 ARG 55 2HH1 ARG 55 -0.437 -5.297 -13.666 403 1HH2 ARG 55 1HH2 ARG 55 2.658 -6.278 -12.265 404 2HH2 ARG 55 2HH2 ARG 55 3.132 -4.655 -11.817 405 H ASN 56 H ASN 56 5.039 1.515 -13.766 406 HA ASN 56 HA ASN 56 7.789 0.367 -13.657 407 1HB ASN 56 1HB ASN 56 6.145 1.540 -15.910 408 2HB ASN 56 2HB ASN 56 7.918 1.460 -15.998 409 1HD2 ASN 56 1HD2 ASN 56 8.881 -0.765 -15.438 410 2HD2 ASN 56 2HD2 ASN 56 8.045 -2.158 -16.090 411 H LEU 57 H LEU 57 9.543 1.791 -13.559 412 HA LEU 57 HA LEU 57 8.897 4.397 -12.393 413 1HB LEU 57 1HB LEU 57 10.639 3.039 -11.366 414 2HB LEU 57 2HB LEU 57 11.520 2.943 -12.910 415 HG LEU 57 HG LEU 57 11.789 5.411 -12.899 416 1HD1 LEU 57 1HD1 LEU 57 10.649 6.755 -11.476 417 2HD1 LEU 57 2HD1 LEU 57 9.666 5.323 -11.088 418 3HD1 LEU 57 3HD1 LEU 57 11.065 5.744 -10.071 419 1HD2 LEU 57 1HD2 LEU 57 12.684 4.486 -10.171 420 2HD2 LEU 57 2HD2 LEU 57 13.313 3.662 -11.618 421 3HD2 LEU 57 3HD2 LEU 57 13.580 5.408 -11.402 422 H SER 58 H SER 58 11.025 3.233 -15.073 423 HA SER 58 HA SER 58 11.683 5.660 -16.201 424 1HB SER 58 1HB SER 58 12.336 3.256 -16.883 425 2HB SER 58 2HB SER 58 10.866 3.280 -17.886 426 HG SER 58 HG SER 58 12.903 4.026 -18.879 427 H ASP 59 H ASP 59 8.658 3.787 -16.641 428 HA ASP 59 HA ASP 59 7.554 6.070 -18.191 429 1HB ASP 59 1HB ASP 59 7.436 3.868 -19.270 430 2HB ASP 59 2HB ASP 59 6.597 3.202 -17.852 431 HA PRO 60 HA PRO 60 5.189 7.231 -14.655 432 1HB PRO 60 1HB PRO 60 3.384 8.879 -15.859 433 2HB PRO 60 2HB PRO 60 5.128 9.290 -15.772 434 1HG PRO 60 1HG PRO 60 3.665 7.965 -18.073 435 2HG PRO 60 2HG PRO 60 4.724 9.411 -18.145 436 1HD PRO 60 1HD PRO 60 5.678 6.921 -18.709 437 2HD PRO 60 2HD PRO 60 6.672 8.084 -17.780 438 H ARG 61 H ARG 61 4.678 4.616 -15.651 439 HA ARG 61 HA ARG 61 1.874 4.334 -16.309 440 1HB ARG 61 1HB ARG 61 3.296 2.624 -17.112 441 2HB ARG 61 2HB ARG 61 4.115 2.446 -15.542 442 1HG ARG 61 1HG ARG 61 2.510 1.053 -14.735 443 2HG ARG 61 2HG ARG 61 1.191 2.035 -15.416 444 1HD ARG 61 1HD ARG 61 1.023 0.077 -16.678 445 2HD ARG 61 2HD ARG 61 2.047 1.092 -17.717 446 HE ARG 61 HE ARG 61 3.770 -0.350 -16.021 447 1HH1 ARG 61 1HH1 ARG 61 4.101 -3.182 -18.098 448 2HH1 ARG 61 2HH1 ARG 61 4.791 -2.285 -16.765 449 1HH2 ARG 61 1HH2 ARG 61 2.159 -2.429 -19.121 450 2HH2 ARG 61 2HH2 ARG 61 1.385 -0.964 -18.559 451 H LEU 62 H LEU 62 0.896 5.591 -14.587 452 HA LEU 62 HA LEU 62 1.239 4.738 -11.834 453 1HB LEU 62 1HB LEU 62 0.072 6.939 -13.269 454 2HB LEU 62 2HB LEU 62 -1.161 6.244 -12.190 455 HG LEU 62 HG LEU 62 0.426 8.057 -11.213 456 1HD1 LEU 62 1HD1 LEU 62 0.724 5.733 -9.435 457 2HD1 LEU 62 2HD1 LEU 62 -0.214 7.227 -9.204 458 3HD1 LEU 62 3HD1 LEU 62 -0.914 5.870 -10.119 459 1HD2 LEU 62 1HD2 LEU 62 2.305 5.794 -10.654 460 2HD2 LEU 62 2HD2 LEU 62 2.397 6.543 -12.266 461 3HD2 LEU 62 3HD2 LEU 62 2.634 7.536 -10.808 462 H GLU 63 H GLU 63 -0.031 3.378 -10.638 463 HA GLU 63 HA GLU 63 -2.425 2.234 -11.980 464 1HB GLU 63 1HB GLU 63 -0.304 0.645 -10.486 465 2HB GLU 63 2HB GLU 63 -1.764 -0.002 -11.272 466 1HG GLU 63 1HG GLU 63 0.340 1.590 -12.777 467 2HG GLU 63 2HG GLU 63 0.419 -0.177 -12.607 468 H THR 64 H THR 64 -4.168 1.941 -10.654 469 HA THR 64 HA THR 64 -3.726 2.578 -7.774 470 HB THR 64 HB THR 64 -6.253 3.233 -7.992 471 HG1 THR 64 1HG THR 64 -5.396 3.671 -10.652 472 1HG2 THR 64 1HG2 THR 64 -5.008 5.365 -9.415 473 2HG2 THR 64 2HG2 THR 64 -5.256 5.227 -7.658 474 3HG2 THR 64 3HG2 THR 64 -3.751 4.626 -8.394 475 H ILE 65 H ILE 65 -4.696 1.279 -6.234 476 HA ILE 65 HA ILE 65 -6.329 -0.994 -7.217 477 HB ILE 65 HB ILE 65 -3.877 -1.632 -6.992 478 1HG1 ILE 65 1HG1 ILE 65 -5.773 -2.995 -5.036 479 2HG1 ILE 65 2HG1 ILE 65 -5.829 -3.225 -6.800 480 1HG2 ILE 65 1HG2 ILE 65 -2.851 -1.684 -4.864 481 2HG2 ILE 65 2HG2 ILE 65 -3.684 -0.111 -4.885 482 3HG2 ILE 65 3HG2 ILE 65 -4.401 -1.486 -4.012 483 1HD1 ILE 65 1HD1 ILE 65 -3.670 -4.032 -4.839 484 2HD1 ILE 65 2HD1 ILE 65 -4.475 -5.012 -6.088 485 3HD1 ILE 65 3HD1 ILE 65 -3.279 -3.780 -6.557 486 H THR 66 H THR 66 -8.147 -1.174 -6.043 487 HA THR 66 HA THR 66 -8.217 0.214 -3.418 488 HB THR 66 HB THR 66 -10.378 -0.630 -5.381 489 HG1 THR 66 1HG THR 66 -9.354 1.833 -4.419 490 1HG2 THR 66 1HG2 THR 66 -10.546 -0.428 -2.547 491 2HG2 THR 66 2HG2 THR 66 -11.290 1.049 -3.205 492 3HG2 THR 66 3HG2 THR 66 -11.889 -0.550 -3.709 493 H LEU 67 H LEU 67 -8.154 -0.983 -1.618 494 HA LEU 67 HA LEU 67 -8.627 -3.893 -1.858 495 1HB LEU 67 1HB LEU 67 -7.580 -2.338 0.531 496 2HB LEU 67 2HB LEU 67 -7.421 -4.079 0.200 497 HG LEU 67 HG LEU 67 -6.367 -2.189 -1.872 498 1HD1 LEU 67 1HD1 LEU 67 -5.702 -1.623 0.713 499 2HD1 LEU 67 2HD1 LEU 67 -4.485 -2.867 0.336 500 3HD1 LEU 67 3HD1 LEU 67 -4.593 -1.396 -0.661 501 1HD2 LEU 67 1HD2 LEU 67 -5.019 -4.616 -0.673 502 2HD2 LEU 67 2HD2 LEU 67 -6.380 -4.813 -1.803 503 3HD2 LEU 67 3HD2 LEU 67 -4.903 -3.970 -2.327 504 H GLN 68 H GLN 68 -10.461 -4.815 -1.150 505 HA GLN 68 HA GLN 68 -12.488 -3.127 0.105 506 1HB GLN 68 1HB GLN 68 -12.452 -6.050 -0.740 507 2HB GLN 68 2HB GLN 68 -13.879 -5.192 -0.111 508 1HG GLN 68 1HG GLN 68 -12.295 -4.160 -2.484 509 2HG GLN 68 2HG GLN 68 -13.621 -5.328 -2.676 510 1HE2 GLN 68 1HE2 GLN 68 -12.750 -2.035 -1.665 511 2HE2 GLN 68 2HE2 GLN 68 -14.371 -1.377 -1.728 512 H LYS 69 H LYS 69 -13.837 -4.557 1.866 513 HA LYS 69 HA LYS 69 -12.371 -4.403 4.244 514 1HB LYS 69 1HB LYS 69 -14.673 -6.327 3.840 515 2HB LYS 69 2HB LYS 69 -14.265 -5.360 5.278 516 1HG LYS 69 1HG LYS 69 -14.562 -3.453 3.255 517 2HG LYS 69 2HG LYS 69 -15.856 -4.629 2.922 518 1HD LYS 69 1HD LYS 69 -16.184 -4.468 5.572 519 2HD LYS 69 2HD LYS 69 -15.431 -2.874 5.324 520 1HE LYS 69 1HE LYS 69 -17.530 -2.182 4.810 521 2HE LYS 69 2HE LYS 69 -17.240 -2.976 3.247 522 1HZ LYS 69 1HZ LYS 69 -18.160 -4.679 5.360 523 2HZ LYS 69 2HZ LYS 69 -19.248 -3.553 4.842 524 3HZ LYS 69 3HZ LYS 69 -18.599 -4.626 3.771 525 H TRP 70 H TRP 70 -10.899 -5.676 5.222 526 HA TRP 70 HA TRP 70 -9.485 -7.439 5.581 527 1HB TRP 70 1HB TRP 70 -11.811 -9.099 4.568 528 2HB TRP 70 2HB TRP 70 -10.462 -9.663 5.563 529 HD1 TRP 70 HD TRP 70 -13.919 -8.537 5.821 530 HE1 TRP 70 1HE TRP 70 -14.590 -8.001 8.219 531 HE3 TRP 70 3HE TRP 70 -9.267 -8.402 7.951 532 HZ2 TRP 70 2HZ TRP 70 -13.276 -7.563 10.760 533 HZ3 TRP 70 3HZ TRP 70 -9.017 -7.922 10.358 534 HH2 TRP 70 HH TRP 70 -11.006 -7.501 11.774 535 H GLY 71 H GLY 71 -9.617 -6.100 2.907 536 1HA GLY 71 1HA GLY 71 -9.045 -8.236 0.990 537 2HA GLY 71 2HA GLY 71 -8.991 -6.483 0.697 538 H SER 72 H SER 72 -7.009 -8.553 -0.045 539 HA SER 72 HA SER 72 -4.676 -7.299 1.288 540 1HB SER 72 1HB SER 72 -4.279 -10.141 0.683 541 2HB SER 72 2HB SER 72 -3.909 -9.229 2.167 542 HG SER 72 HG SER 72 -6.200 -9.334 2.612 543 H TRP 73 H TRP 73 -2.674 -7.548 0.016 544 HA TRP 73 HA TRP 73 -3.272 -7.988 -2.873 545 1HB TRP 73 1HB TRP 73 -2.954 -5.579 -2.074 546 2HB TRP 73 2HB TRP 73 -1.271 -6.017 -1.750 547 HD1 TRP 73 HD TRP 73 -2.905 -7.474 -4.831 548 HE1 TRP 73 1HE TRP 73 -1.917 -6.439 -6.938 549 HE3 TRP 73 3HE TRP 73 -0.150 -3.735 -2.679 550 HZ2 TRP 73 2HZ TRP 73 -0.146 -4.254 -7.619 551 HZ3 TRP 73 3HZ TRP 73 1.172 -2.200 -4.087 552 HH2 TRP 73 HH TRP 73 1.186 -2.445 -6.552 553 H ASN 74 H ASN 74 -1.659 -8.992 -4.111 554 HA ASN 74 HA ASN 74 0.888 -9.705 -2.903 555 1HB ASN 74 1HB ASN 74 0.462 -12.170 -3.116 556 2HB ASN 74 2HB ASN 74 -0.464 -11.385 -1.819 557 1HD2 ASN 74 1HD2 ASN 74 -1.519 -13.699 -2.451 558 2HD2 ASN 74 2HD2 ASN 74 -2.910 -13.556 -3.505 559 HA PRO 75 HA PRO 75 0.656 -9.370 -7.529 560 1HB PRO 75 1HB PRO 75 2.568 -7.451 -7.823 561 2HB PRO 75 2HB PRO 75 0.887 -7.046 -7.343 562 1HG PRO 75 1HG PRO 75 3.272 -7.459 -5.517 563 2HG PRO 75 2HG PRO 75 2.154 -6.058 -5.545 564 1HD PRO 75 1HD PRO 75 1.802 -8.122 -3.800 565 2HD PRO 75 2HD PRO 75 0.394 -7.359 -4.599 566 H GLY 76 H GLY 76 3.918 -8.384 -6.628 567 1HA GLY 76 1HA GLY 76 5.221 -10.794 -6.215 568 2HA GLY 76 2HA GLY 76 5.066 -10.656 -7.981 569 H HIS 77 H HIS 77 5.898 -8.543 -5.169 570 HA HIS 77 HA HIS 77 7.661 -7.117 -4.845 571 1HB HIS 77 1HB HIS 77 9.069 -9.005 -5.520 572 2HB HIS 77 2HB HIS 77 8.829 -8.595 -7.229 573 HD1 HIS 77 1HD HIS 77 9.456 -5.560 -7.292 574 HD2 HIS 77 2HD HIS 77 11.536 -8.406 -4.974 575 HE1 HIS 77 1HE HIS 77 11.767 -4.553 -6.793 576 HE2 HIS 77 2HE HIS 77 13.021 -6.291 -5.385 577 H ILE 78 H ILE 78 6.552 -5.219 -5.283 578 HA ILE 78 HA ILE 78 6.328 -4.333 -8.083 579 HB ILE 78 HB ILE 78 5.410 -3.070 -5.470 580 1HG1 ILE 78 1HG1 ILE 78 4.449 -5.352 -6.698 581 2HG1 ILE 78 2HG1 ILE 78 3.486 -4.269 -5.664 582 1HG2 ILE 78 1HG2 ILE 78 4.803 -2.415 -8.385 583 2HG2 ILE 78 2HG2 ILE 78 4.019 -1.661 -6.976 584 3HG2 ILE 78 3HG2 ILE 78 5.759 -1.417 -7.264 585 1HD1 ILE 78 1HD1 ILE 78 2.770 -2.985 -7.632 586 2HD1 ILE 78 2HD1 ILE 78 3.791 -3.993 -8.685 587 3HD1 ILE 78 3HD1 ILE 78 2.384 -4.707 -7.860 588 H HIS 79 H HIS 79 7.214 -2.331 -8.825 589 HA HIS 79 HA HIS 79 9.888 -1.885 -8.260 590 1HB HIS 79 1HB HIS 79 9.052 -0.926 -10.222 591 2HB HIS 79 2HB HIS 79 7.684 -0.167 -9.387 592 HD1 HIS 79 1HD HIS 79 11.482 0.212 -8.633 593 HD2 HIS 79 2HD HIS 79 8.030 2.392 -9.699 594 HE1 HIS 79 1HE HIS 79 12.150 2.693 -8.630 595 HE2 HIS 79 2HE HIS 79 10.046 4.007 -9.278 596 H GLU 80 H GLU 80 7.464 0.620 -7.392 597 HA GLU 80 HA GLU 80 8.294 0.629 -4.606 598 1HB GLU 80 1HB GLU 80 10.183 1.807 -5.751 599 2HB GLU 80 2HB GLU 80 9.016 3.003 -6.367 600 1HG GLU 80 1HG GLU 80 8.555 2.682 -3.556 601 2HG GLU 80 2HG GLU 80 10.300 2.914 -3.798 602 H ILE 81 H ILE 81 6.931 1.933 -3.307 603 HA ILE 81 HA ILE 81 4.334 2.450 -4.533 604 HB ILE 81 HB ILE 81 5.374 2.803 -1.694 605 1HG1 ILE 81 1HG1 ILE 81 5.316 0.457 -2.673 606 2HG1 ILE 81 2HG1 ILE 81 4.281 0.697 -1.245 607 1HG2 ILE 81 1HG2 ILE 81 3.321 3.582 -1.099 608 2HG2 ILE 81 2HG2 ILE 81 3.149 3.988 -2.824 609 3HG2 ILE 81 3HG2 ILE 81 2.479 2.463 -2.198 610 1HD1 ILE 81 1HD1 ILE 81 2.806 1.404 -3.631 611 2HD1 ILE 81 2HD1 ILE 81 3.502 -0.223 -3.825 612 3HD1 ILE 81 3HD1 ILE 81 2.451 0.136 -2.433 613 H LEU 82 H LEU 82 3.390 4.426 -4.909 614 HA LEU 82 HA LEU 82 5.229 6.726 -4.909 615 1HB LEU 82 1HB LEU 82 2.389 6.502 -5.973 616 2HB LEU 82 2HB LEU 82 3.590 7.760 -6.355 617 HG LEU 82 HG LEU 82 3.389 4.942 -7.334 618 1HD1 LEU 82 1HD1 LEU 82 4.329 7.637 -8.374 619 2HD1 LEU 82 2HD1 LEU 82 4.587 6.130 -9.285 620 3HD1 LEU 82 3HD1 LEU 82 2.933 6.671 -8.911 621 1HD2 LEU 82 1HD2 LEU 82 5.967 6.302 -6.501 622 2HD2 LEU 82 2HD2 LEU 82 5.443 4.626 -6.205 623 3HD2 LEU 82 3HD2 LEU 82 5.937 5.129 -7.840 624 H SER 83 H SER 83 1.761 6.216 -4.030 625 HA SER 83 HA SER 83 2.236 7.706 -1.527 626 1HB SER 83 1HB SER 83 1.541 9.268 -3.485 627 2HB SER 83 2HB SER 83 -0.056 8.496 -3.335 628 HG SER 83 HG SER 83 -0.280 9.303 -1.346 629 H ILE 84 H ILE 84 0.122 7.706 -0.196 630 HA ILE 84 HA ILE 84 -1.433 5.231 -0.743 631 HB ILE 84 HB ILE 84 0.080 6.022 1.753 632 1HG1 ILE 84 1HG1 ILE 84 -0.284 3.398 0.243 633 2HG1 ILE 84 2HG1 ILE 84 1.116 4.486 0.087 634 1HG2 ILE 84 1HG2 ILE 84 -1.240 4.390 3.010 635 2HG2 ILE 84 2HG2 ILE 84 -2.325 5.631 2.340 636 3HG2 ILE 84 3HG2 ILE 84 -2.221 4.031 1.569 637 1HD1 ILE 84 1HD1 ILE 84 1.798 2.844 1.669 638 2HD1 ILE 84 2HD1 ILE 84 1.353 4.261 2.650 639 3HD1 ILE 84 3HD1 ILE 84 0.230 2.887 2.510 640 H ARG 85 H ARG 85 -3.582 5.542 -0.600 641 HA ARG 85 HA ARG 85 -4.516 7.957 0.879 642 1HB ARG 85 1HB ARG 85 -4.774 8.463 -1.436 643 2HB ARG 85 2HB ARG 85 -5.368 6.826 -1.805 644 1HG ARG 85 1HG ARG 85 -7.393 7.235 -0.473 645 2HG ARG 85 2HG ARG 85 -6.793 8.850 -0.025 646 1HD ARG 85 1HD ARG 85 -6.654 9.317 -2.553 647 2HD ARG 85 2HD ARG 85 -7.624 7.844 -2.766 648 HE ARG 85 HE ARG 85 -9.491 8.992 -2.029 649 1HH1 ARG 85 1HH1 ARG 85 -9.721 12.221 -0.629 650 2HH1 ARG 85 2HH1 ARG 85 -10.617 10.858 -1.261 651 1HH2 ARG 85 1HH2 ARG 85 -7.403 12.156 -0.561 652 2HH2 ARG 85 2HH2 ARG 85 -6.550 10.743 -1.142 653 H ILE 86 H ILE 86 -6.022 7.584 2.409 654 HA ILE 86 HA ILE 86 -7.248 4.868 2.461 655 HB ILE 86 HB ILE 86 -6.834 6.790 4.779 656 1HG1 ILE 86 1HG1 ILE 86 -5.136 4.450 3.812 657 2HG1 ILE 86 2HG1 ILE 86 -4.650 6.162 3.870 658 1HG2 ILE 86 1HG2 ILE 86 -8.471 4.572 4.516 659 2HG2 ILE 86 2HG2 ILE 86 -6.987 3.872 5.206 660 3HG2 ILE 86 3HG2 ILE 86 -7.826 5.192 6.055 661 1HD1 ILE 86 1HD1 ILE 86 -3.898 4.622 5.825 662 2HD1 ILE 86 2HD1 ILE 86 -4.622 6.195 6.239 663 3HD1 ILE 86 3HD1 ILE 86 -5.594 4.708 6.358 664 H TYR 87 H TYR 87 -9.441 4.685 2.478 665 HA TYR 87 HA TYR 87 -10.971 7.135 1.996 666 1HB TYR 87 1HB TYR 87 -11.554 4.170 1.922 667 2HB TYR 87 2HB TYR 87 -12.848 5.374 1.796 668 HD1 TYR 87 1HD TYR 87 -13.603 5.491 -0.389 669 HD2 TYR 87 2HD TYR 87 -9.382 5.185 0.348 670 HE1 TYR 87 1HE TYR 87 -13.163 5.712 -2.819 671 HE2 TYR 87 2HE TYR 87 -8.942 5.406 -2.083 672 HH TYR 87 HH TYR 87 -11.477 5.316 -4.488 Start of MODEL 30 1 H MET 1 H MET 1 -4.226 12.416 10.934 2 HA MET 1 HA MET 1 -4.648 12.355 8.428 3 1HB MET 1 1HB MET 1 -2.758 12.906 7.004 4 2HB MET 1 2HB MET 1 -3.102 14.294 8.063 5 1HG MET 1 1HG MET 1 -1.370 12.909 9.630 6 2HG MET 1 2HG MET 1 -0.775 12.437 8.029 7 1HE MET 1 1HE MET 1 1.496 14.545 7.019 8 2HE MET 1 2HE MET 1 1.940 14.393 8.736 9 3HE MET 1 3HE MET 1 1.155 13.034 7.896 10 H ILE 2 H ILE 2 -2.743 10.942 6.979 11 HA ILE 2 HA ILE 2 -2.862 8.387 8.241 12 HB ILE 2 HB ILE 2 -2.850 8.684 5.804 13 1HG1 ILE 2 1HG1 ILE 2 -0.335 7.270 6.788 14 2HG1 ILE 2 2HG1 ILE 2 -1.973 6.574 6.812 15 1HG2 ILE 2 1HG2 ILE 2 -1.359 10.020 4.759 16 2HG2 ILE 2 2HG2 ILE 2 -0.770 10.499 6.369 17 3HG2 ILE 2 3HG2 ILE 2 0.012 9.159 5.498 18 1HD1 ILE 2 1HD1 ILE 2 -0.183 6.336 4.719 19 2HD1 ILE 2 2HD1 ILE 2 -1.947 6.145 4.578 20 3HD1 ILE 2 3HD1 ILE 2 -1.188 7.709 4.196 21 H ASN 3 H ASN 3 -1.337 7.189 9.339 22 HA ASN 3 HA ASN 3 1.331 8.411 9.746 23 1HB ASN 3 1HB ASN 3 -0.167 9.150 11.600 24 2HB ASN 3 2HB ASN 3 -0.477 7.445 11.993 25 1HD2 ASN 3 1HD2 ASN 3 0.419 8.055 14.139 26 2HD2 ASN 3 2HD2 ASN 3 2.156 8.037 14.356 27 H ARG 4 H ARG 4 2.973 6.921 10.057 28 HA ARG 4 HA ARG 4 2.344 4.195 9.255 29 1HB ARG 4 1HB ARG 4 4.368 5.494 8.500 30 2HB ARG 4 2HB ARG 4 4.991 5.386 10.164 31 1HG ARG 4 1HG ARG 4 4.511 2.806 9.866 32 2HG ARG 4 2HG ARG 4 4.581 3.194 8.130 33 1HD ARG 4 1HD ARG 4 6.825 3.392 8.185 34 2HD ARG 4 2HD ARG 4 6.754 4.481 9.587 35 HE ARG 4 HE ARG 4 6.258 1.965 10.635 36 1HH1 ARG 4 1HH1 ARG 4 9.585 0.828 10.920 37 2HH1 ARG 4 2HH1 ARG 4 7.939 0.619 11.474 38 1HH2 ARG 4 1HH2 ARG 4 10.081 2.455 9.342 39 2HH2 ARG 4 2HH2 ARG 4 8.808 3.473 8.706 40 H THR 5 H THR 5 1.565 2.758 10.684 41 HA THR 5 HA THR 5 2.601 2.908 13.476 42 HB THR 5 HB THR 5 0.270 3.325 13.555 43 HG1 THR 5 1HG THR 5 0.474 0.507 13.793 44 1HG2 THR 5 1HG2 THR 5 -0.037 1.013 11.591 45 2HG2 THR 5 2HG2 THR 5 -1.373 1.944 12.308 46 3HG2 THR 5 3HG2 THR 5 -0.224 2.741 11.207 47 H ASP 6 H ASP 6 3.137 0.942 14.528 48 HA ASP 6 HA ASP 6 4.058 -1.127 12.653 49 1HB ASP 6 1HB ASP 6 5.519 -0.199 14.463 50 2HB ASP 6 2HB ASP 6 4.406 -0.889 15.664 51 H CYS 7 H CYS 7 1.276 -1.000 12.724 52 HA CYS 7 HA CYS 7 -0.574 -2.310 13.040 53 1HB CYS 7 1HB CYS 7 1.704 -4.254 13.324 54 2HB CYS 7 2HB CYS 7 0.044 -4.794 13.620 55 H ASN 8 H ASN 8 -1.611 -1.434 14.789 56 HA ASN 8 HA ASN 8 -0.672 -2.202 17.490 57 1HB ASN 8 1HB ASN 8 -2.472 -0.511 18.157 58 2HB ASN 8 2HB ASN 8 -1.061 0.131 17.289 59 1HD2 ASN 8 1HD2 ASN 8 -1.394 1.322 15.480 60 2HD2 ASN 8 2HD2 ASN 8 -2.913 1.428 14.615 61 H GLU 9 H GLU 9 -1.857 -4.208 15.740 62 HA GLU 9 HA GLU 9 -3.422 -5.874 15.839 63 1HB GLU 9 1HB GLU 9 -3.751 -4.750 18.646 64 2HB GLU 9 2HB GLU 9 -4.484 -6.270 18.081 65 1HG GLU 9 1HG GLU 9 -2.185 -7.074 17.457 66 2HG GLU 9 2HG GLU 9 -1.515 -5.603 18.194 67 H ASN 10 H ASN 10 -4.885 -5.250 14.283 68 HA ASN 10 HA ASN 10 -7.521 -4.707 15.004 69 1HB ASN 10 1HB ASN 10 -6.038 -2.428 15.457 70 2HB ASN 10 2HB ASN 10 -6.644 -2.157 13.809 71 1HD2 ASN 10 1HD2 ASN 10 -7.847 -0.360 14.907 72 2HD2 ASN 10 2HD2 ASN 10 -9.390 -0.735 15.643 73 H SER 11 H SER 11 -8.530 -3.288 12.885 74 HA SER 11 HA SER 11 -7.568 -4.911 10.585 75 1HB SER 11 1HB SER 11 -9.738 -5.247 10.052 76 2HB SER 11 2HB SER 11 -10.097 -4.668 11.697 77 HG SER 11 HG SER 11 -10.940 -2.963 10.846 78 H TYR 12 H TYR 12 -6.101 -3.721 9.471 79 HA TYR 12 HA TYR 12 -7.036 -1.145 8.390 80 1HB TYR 12 1HB TYR 12 -4.429 -0.540 8.961 81 2HB TYR 12 2HB TYR 12 -5.826 -0.016 9.915 82 HD1 TYR 12 1HD TYR 12 -5.402 -0.135 12.182 83 HD2 TYR 12 2HD TYR 12 -3.914 -3.245 9.619 84 HE1 TYR 12 1HE TYR 12 -4.502 -1.333 14.158 85 HE2 TYR 12 2HE TYR 12 -3.015 -4.443 11.596 86 HH TYR 12 HH TYR 12 -3.369 -3.161 14.917 87 H LEU 13 H LEU 13 -4.875 -0.335 6.999 88 HA LEU 13 HA LEU 13 -4.513 -2.564 5.102 89 1HB LEU 13 1HB LEU 13 -5.140 -0.694 3.899 90 2HB LEU 13 2HB LEU 13 -4.333 0.431 5.018 91 HG LEU 13 HG LEU 13 -2.197 -1.022 4.076 92 1HD1 LEU 13 1HD1 LEU 13 -3.082 -0.534 1.440 93 2HD1 LEU 13 2HD1 LEU 13 -2.790 -2.119 2.195 94 3HD1 LEU 13 3HD1 LEU 13 -4.420 -1.404 2.230 95 1HD2 LEU 13 1HD2 LEU 13 -1.549 1.068 3.511 96 2HD2 LEU 13 2HD2 LEU 13 -2.832 1.199 2.283 97 3HD2 LEU 13 3HD2 LEU 13 -3.178 1.611 3.979 98 H GLU 14 H GLU 14 -2.560 -3.496 4.625 99 HA GLU 14 HA GLU 14 -0.150 -2.363 5.937 100 1HB GLU 14 1HB GLU 14 -0.848 -5.318 5.994 101 2HB GLU 14 2HB GLU 14 0.472 -4.486 6.851 102 1HG GLU 14 1HG GLU 14 -0.924 -4.238 8.600 103 2HG GLU 14 2HG GLU 14 -1.873 -3.115 7.602 104 H ILE 15 H ILE 15 1.767 -2.700 4.812 105 HA ILE 15 HA ILE 15 1.548 -4.222 2.266 106 HB ILE 15 HB ILE 15 2.911 -1.521 2.544 107 1HG1 ILE 15 1HG1 ILE 15 0.269 -2.053 1.152 108 2HG1 ILE 15 2HG1 ILE 15 0.338 -1.561 2.861 109 1HG2 ILE 15 1HG2 ILE 15 2.089 -2.146 -0.105 110 2HG2 ILE 15 2HG2 ILE 15 3.750 -2.096 0.532 111 3HG2 ILE 15 3HG2 ILE 15 2.836 -3.623 0.551 112 1HD1 ILE 15 1HD1 ILE 15 1.138 0.554 2.363 113 2HD1 ILE 15 2HD1 ILE 15 1.950 0.012 0.875 114 3HD1 ILE 15 3HD1 ILE 15 0.186 0.246 0.891 115 H HIS 16 H HIS 16 3.100 -5.727 2.164 116 HA HIS 16 HA HIS 16 5.627 -5.203 3.659 117 1HB HIS 16 1HB HIS 16 5.748 -7.598 4.084 118 2HB HIS 16 2HB HIS 16 4.222 -6.944 4.709 119 HD1 HIS 16 1HD HIS 16 5.558 -9.407 2.148 120 HD2 HIS 16 2HD HIS 16 1.939 -7.593 3.337 121 HE1 HIS 16 1HE HIS 16 3.666 -10.746 1.038 122 HE2 HIS 16 2HE HIS 16 1.474 -9.634 1.767 123 H ASN 17 H ASN 17 6.992 -4.539 2.058 124 HA ASN 17 HA ASN 17 7.018 -6.108 -0.462 125 1HB ASN 17 1HB ASN 17 8.470 -4.192 -1.243 126 2HB ASN 17 2HB ASN 17 6.802 -3.746 -0.822 127 1HD2 ASN 17 1HD2 ASN 17 8.809 -1.806 -0.916 128 2HD2 ASN 17 2HD2 ASN 17 9.149 -1.244 0.707 129 H ASN 18 H ASN 18 9.536 -5.848 -1.357 130 HA ASN 18 HA ASN 18 11.624 -6.770 -1.197 131 1HB ASN 18 1HB ASN 18 11.178 -5.533 1.497 132 2HB ASN 18 2HB ASN 18 12.582 -6.601 1.286 133 1HD2 ASN 18 1HD2 ASN 18 12.113 -3.525 1.565 134 2HD2 ASN 18 2HD2 ASN 18 13.099 -2.855 0.284 135 H GLU 19 H GLU 19 9.155 -8.398 -0.726 136 HA GLU 19 HA GLU 19 8.699 -10.597 -0.281 137 1HB GLU 19 1HB GLU 19 11.706 -10.664 0.157 138 2HB GLU 19 2HB GLU 19 10.669 -12.110 0.216 139 1HG GLU 19 1HG GLU 19 9.868 -11.601 -2.085 140 2HG GLU 19 2HG GLU 19 10.963 -10.202 -2.141 141 H GLY 20 H GLY 20 7.611 -9.341 1.578 142 1HA GLY 20 1HA GLY 20 7.133 -9.116 3.823 143 2HA GLY 20 2HA GLY 20 7.642 -10.817 3.907 144 H ARG 21 H ARG 21 9.627 -7.943 3.103 145 HA ARG 21 HA ARG 21 11.461 -8.709 5.295 146 1HB ARG 21 1HB ARG 21 12.293 -8.390 2.939 147 2HB ARG 21 2HB ARG 21 11.834 -6.675 3.064 148 1HG ARG 21 1HG ARG 21 13.299 -7.271 5.420 149 2HG ARG 21 2HG ARG 21 14.204 -8.009 4.076 150 1HD ARG 21 1HD ARG 21 13.226 -5.403 3.283 151 2HD ARG 21 2HD ARG 21 14.114 -5.265 4.815 152 HE ARG 21 HE ARG 21 15.203 -5.955 2.191 153 1HH1 ARG 21 1HH1 ARG 21 18.435 -6.282 3.564 154 2HH1 ARG 21 2HH1 ARG 21 17.502 -6.164 2.089 155 1HH2 ARG 21 1HH2 ARG 21 17.365 -6.228 5.622 156 2HH2 ARG 21 2HH2 ARG 21 15.624 -6.070 5.699 157 H ASP 22 H ASP 22 9.801 -5.811 3.935 158 HA ASP 22 HA ASP 22 9.878 -4.654 6.681 159 1HB ASP 22 1HB ASP 22 10.322 -3.274 4.008 160 2HB ASP 22 2HB ASP 22 10.080 -2.423 5.549 161 H THR 23 H THR 23 7.847 -4.604 7.440 162 HA THR 23 HA THR 23 5.635 -4.281 5.486 163 HB THR 23 HB THR 23 5.652 -5.189 8.392 164 HG1 THR 23 1HG THR 23 6.545 -6.588 6.705 165 1HG2 THR 23 1HG2 THR 23 3.322 -5.793 6.695 166 2HG2 THR 23 2HG2 THR 23 3.385 -5.128 8.345 167 3HG2 THR 23 3HG2 THR 23 3.567 -4.047 6.943 168 H LEU 24 H LEU 24 3.999 -2.714 5.820 169 HA LEU 24 HA LEU 24 4.635 -0.622 7.833 170 1HB LEU 24 1HB LEU 24 3.720 0.067 5.034 171 2HB LEU 24 2HB LEU 24 4.498 1.110 6.248 172 HG LEU 24 HG LEU 24 6.232 -1.124 5.738 173 1HD1 LEU 24 1HD1 LEU 24 5.985 0.383 3.187 174 2HD1 LEU 24 2HD1 LEU 24 6.356 -1.335 3.466 175 3HD1 LEU 24 3HD1 LEU 24 4.669 -0.769 3.517 176 1HD2 LEU 24 1HD2 LEU 24 7.802 0.554 5.626 177 2HD2 LEU 24 2HD2 LEU 24 6.787 1.578 4.582 178 3HD2 LEU 24 3HD2 LEU 24 6.473 1.505 6.332 179 H CYS 25 H CYS 25 2.920 -0.466 9.142 180 HA CYS 25 HA CYS 25 0.259 -1.216 8.093 181 1HB CYS 25 1HB CYS 25 0.913 -0.464 10.938 182 2HB CYS 25 2HB CYS 25 -0.375 -1.517 10.330 183 H PHE 26 H PHE 26 -1.018 0.348 7.311 184 HA PHE 26 HA PHE 26 -0.622 3.108 8.357 185 1HB PHE 26 1HB PHE 26 -1.712 2.047 5.733 186 2HB PHE 26 2HB PHE 26 -1.809 3.748 6.222 187 HD1 PHE 26 1HD PHE 26 0.197 1.225 4.651 188 HD2 PHE 26 2HD PHE 26 0.401 4.962 6.759 189 HE1 PHE 26 1HE PHE 26 2.470 1.615 3.739 190 HE2 PHE 26 2HE PHE 26 2.674 5.352 5.847 191 HZ PHE 26 HZ PHE 26 3.708 3.679 4.337 192 H ALA 27 H ALA 27 -2.285 4.150 9.347 193 HA ALA 27 HA ALA 27 -4.955 2.840 9.266 194 1HB ALA 27 1HB ALA 27 -3.360 3.769 11.675 195 2HB ALA 27 2HB ALA 27 -5.122 3.523 11.725 196 3HB ALA 27 3HB ALA 27 -4.042 2.155 11.362 197 H ASN 28 H ASN 28 -6.623 4.434 10.320 198 HA ASN 28 HA ASN 28 -7.633 6.498 10.334 199 1HB ASN 28 1HB ASN 28 -4.862 7.579 9.702 200 2HB ASN 28 2HB ASN 28 -6.265 8.529 10.235 201 1HD2 ASN 28 1HD2 ASN 28 -3.427 7.532 11.350 202 2HD2 ASN 28 2HD2 ASN 28 -3.813 7.150 13.014 203 H ALA 29 H ALA 29 -8.781 7.639 8.797 204 HA ALA 29 HA ALA 29 -8.613 6.733 6.104 205 1HB ALA 29 1HB ALA 29 -10.731 7.469 6.475 206 2HB ALA 29 2HB ALA 29 -10.211 8.659 7.693 207 3HB ALA 29 3HB ALA 29 -10.078 9.043 5.960 208 H GLY 30 H GLY 30 -6.603 8.832 7.792 209 1HA GLY 30 1HA GLY 30 -6.121 11.019 6.179 210 2HA GLY 30 2HA GLY 30 -4.849 10.129 7.046 211 H THR 31 H THR 31 -4.418 11.416 4.545 212 HA THR 31 HA THR 31 -3.702 9.042 2.933 213 HB THR 31 HB THR 31 -5.272 11.454 1.958 214 HG1 THR 31 1HG THR 31 -6.817 10.044 1.834 215 1HG2 THR 31 1HG2 THR 31 -3.953 9.241 0.328 216 2HG2 THR 31 2HG2 THR 31 -4.924 10.591 -0.305 217 3HG2 THR 31 3HG2 THR 31 -3.344 10.909 0.450 218 H MET 32 H MET 32 -1.571 9.133 2.580 219 HA MET 32 HA MET 32 -0.357 11.767 1.984 220 1HB MET 32 1HB MET 32 1.341 11.546 3.612 221 2HB MET 32 2HB MET 32 -0.151 11.104 4.477 222 1HG MET 32 1HG MET 32 0.323 8.704 3.964 223 2HG MET 32 2HG MET 32 1.859 9.194 3.230 224 1HE MET 32 1HE MET 32 2.795 7.316 6.582 225 2HE MET 32 2HE MET 32 1.318 7.016 5.636 226 3HE MET 32 3HE MET 32 2.870 7.281 4.804 227 HA PRO 33 HA PRO 33 1.794 9.474 -1.077 228 1HB PRO 33 1HB PRO 33 4.076 10.931 -1.384 229 2HB PRO 33 2HB PRO 33 2.464 11.603 -1.790 230 1HG PRO 33 1HG PRO 33 4.002 11.954 0.799 231 2HG PRO 33 2HG PRO 33 3.288 13.241 -0.226 232 1HD PRO 33 1HD PRO 33 1.959 12.243 1.935 233 2HD PRO 33 2HD PRO 33 1.078 12.624 0.425 234 H VAL 34 H VAL 34 2.917 7.598 -0.992 235 HA VAL 34 HA VAL 34 5.091 7.365 1.026 236 HB VAL 34 HB VAL 34 4.298 5.207 1.702 237 1HG1 VAL 34 1HG1 VAL 34 2.083 5.751 2.624 238 2HG1 VAL 34 2HG1 VAL 34 3.150 7.173 2.716 239 3HG1 VAL 34 3HG1 VAL 34 1.902 7.077 1.450 240 1HG2 VAL 34 1HG2 VAL 34 2.150 4.300 0.673 241 2HG2 VAL 34 2HG2 VAL 34 2.321 5.547 -0.586 242 3HG2 VAL 34 3HG2 VAL 34 3.568 4.291 -0.403 243 H ALA 35 H ALA 35 6.623 5.602 0.522 244 HA ALA 35 HA ALA 35 6.654 4.947 -2.384 245 1HB ALA 35 1HB ALA 35 9.314 5.095 -1.669 246 2HB ALA 35 2HB ALA 35 8.406 6.378 -2.505 247 3HB ALA 35 3HB ALA 35 8.601 6.434 -0.736 248 H ILE 36 H ILE 36 6.364 2.800 -2.515 249 HA ILE 36 HA ILE 36 7.961 1.095 -0.672 250 HB ILE 36 HB ILE 36 5.025 0.908 -1.398 251 1HG1 ILE 36 1HG1 ILE 36 5.896 0.225 1.310 252 2HG1 ILE 36 2HG1 ILE 36 6.451 1.848 0.833 253 1HG2 ILE 36 1HG2 ILE 36 5.404 -1.323 -1.686 254 2HG2 ILE 36 2HG2 ILE 36 7.013 -1.244 -0.928 255 3HG2 ILE 36 3HG2 ILE 36 5.555 -1.343 0.088 256 1HD1 ILE 36 1HD1 ILE 36 3.674 0.811 1.223 257 2HD1 ILE 36 2HD1 ILE 36 4.342 2.429 1.543 258 3HD1 ILE 36 3HD1 ILE 36 3.919 1.954 -0.119 259 H TYR 37 H TYR 37 9.444 0.129 -1.933 260 HA TYR 37 HA TYR 37 8.662 -0.596 -4.705 261 1HB TYR 37 1HB TYR 37 11.412 -0.553 -3.423 262 2HB TYR 37 2HB TYR 37 11.033 -0.712 -5.147 263 HD1 TYR 37 1HD TYR 37 10.862 1.624 -2.244 264 HD2 TYR 37 2HD TYR 37 10.731 1.193 -6.516 265 HE1 TYR 37 1HE TYR 37 10.977 4.088 -2.496 266 HE2 TYR 37 2HE TYR 37 10.846 3.657 -6.768 267 HH TYR 37 HH TYR 37 11.211 5.837 -3.970 268 H GLY 38 H GLY 38 8.668 -2.703 -5.406 269 1HA GLY 38 1HA GLY 38 8.908 -5.001 -5.314 270 2HA GLY 38 2HA GLY 38 9.875 -4.823 -3.833 271 H VAL 39 H VAL 39 6.479 -4.258 -4.933 272 HA VAL 39 HA VAL 39 5.466 -4.858 -2.265 273 HB VAL 39 HB VAL 39 3.971 -4.452 -4.884 274 1HG1 VAL 39 1HG1 VAL 39 2.164 -4.881 -3.607 275 2HG1 VAL 39 2HG1 VAL 39 3.193 -5.095 -2.170 276 3HG1 VAL 39 3HG1 VAL 39 2.586 -3.477 -2.598 277 1HG2 VAL 39 1HG2 VAL 39 4.265 -2.206 -4.681 278 2HG2 VAL 39 2HG2 VAL 39 4.094 -2.254 -2.910 279 3HG2 VAL 39 3HG2 VAL 39 5.662 -2.634 -3.664 280 H ASN 40 H ASN 40 5.033 -6.846 -1.523 281 HA ASN 40 HA ASN 40 4.826 -9.045 -3.509 282 1HB ASN 40 1HB ASN 40 5.147 -9.359 -0.521 283 2HB ASN 40 2HB ASN 40 5.595 -10.488 -1.818 284 1HD2 ASN 40 1HD2 ASN 40 7.450 -9.998 -3.165 285 2HD2 ASN 40 2HD2 ASN 40 8.720 -8.951 -2.568 286 H TRP 41 H TRP 41 3.262 -7.621 -0.610 287 HA TRP 41 HA TRP 41 0.657 -8.436 -1.587 288 1HB TRP 41 1HB TRP 41 1.105 -10.544 -0.681 289 2HB TRP 41 2HB TRP 41 2.010 -9.875 0.684 290 HD1 TRP 41 HD TRP 41 0.107 -8.044 2.110 291 HE1 TRP 41 1HE TRP 41 -2.071 -8.814 3.182 292 HE3 TRP 41 3HE TRP 41 -0.641 -12.337 -0.575 293 HZ2 TRP 41 2HZ TRP 41 -3.922 -11.023 2.915 294 HZ3 TRP 41 3HZ TRP 41 -2.620 -13.746 -0.138 295 HH2 TRP 41 HH TRP 41 -4.265 -13.105 1.599 296 H VAL 42 H VAL 42 -1.072 -7.508 -0.318 297 HA VAL 42 HA VAL 42 -0.199 -5.600 1.776 298 HB VAL 42 HB VAL 42 -1.589 -4.975 -0.832 299 1HG1 VAL 42 1HG1 VAL 42 -3.171 -3.959 0.519 300 2HG1 VAL 42 2HG1 VAL 42 -2.044 -3.778 1.884 301 3HG1 VAL 42 3HG1 VAL 42 -1.941 -2.673 0.493 302 1HG2 VAL 42 1HG2 VAL 42 -0.040 -2.870 -0.306 303 2HG2 VAL 42 2HG2 VAL 42 0.789 -4.035 0.755 304 3HG2 VAL 42 3HG2 VAL 42 0.647 -4.363 -0.989 305 H GLU 43 H GLU 43 -1.658 -5.374 3.430 306 HA GLU 43 HA GLU 43 -4.007 -7.160 3.304 307 1HB GLU 43 1HB GLU 43 -2.637 -5.681 5.582 308 2HB GLU 43 2HB GLU 43 -4.080 -6.707 5.770 309 1HG GLU 43 1HG GLU 43 -2.888 -8.657 5.003 310 2HG GLU 43 2HG GLU 43 -1.489 -7.678 4.508 311 H SER 44 H SER 44 -6.082 -6.382 4.210 312 HA SER 44 HA SER 44 -6.494 -3.481 4.212 313 1HB SER 44 1HB SER 44 -8.043 -5.212 2.257 314 2HB SER 44 2HB SER 44 -8.058 -3.438 2.403 315 HG SER 44 HG SER 44 -5.725 -3.622 1.927 316 H GLY 45 H GLY 45 -6.980 -4.040 6.445 317 1HA GLY 45 1HA GLY 45 -8.759 -5.899 7.406 318 2HA GLY 45 2HA GLY 45 -8.600 -4.260 8.077 319 H ASN 46 H ASN 46 -10.996 -4.857 8.519 320 HA ASN 46 HA ASN 46 -12.846 -4.864 6.337 321 1HB ASN 46 1HB ASN 46 -13.298 -5.705 8.648 322 2HB ASN 46 2HB ASN 46 -13.278 -4.025 9.227 323 1HD2 ASN 46 1HD2 ASN 46 -15.543 -5.612 9.591 324 2HD2 ASN 46 2HD2 ASN 46 -16.834 -5.029 8.562 325 H ASN 47 H ASN 47 -11.205 -2.918 5.526 326 HA ASN 47 HA ASN 47 -12.950 -0.564 5.613 327 1HB ASN 47 1HB ASN 47 -11.366 0.954 6.459 328 2HB ASN 47 2HB ASN 47 -11.234 -0.446 7.545 329 1HD2 ASN 47 1HD2 ASN 47 -9.678 -2.245 6.363 330 2HD2 ASN 47 2HD2 ASN 47 -8.108 -1.592 5.944 331 H VAL 48 H VAL 48 -12.651 0.812 3.821 332 HA VAL 48 HA VAL 48 -11.233 -0.488 1.592 333 HB VAL 48 HB VAL 48 -12.935 2.028 1.561 334 1HG1 VAL 48 1HG1 VAL 48 -13.069 0.236 -0.728 335 2HG1 VAL 48 2HG1 VAL 48 -12.595 1.950 -0.669 336 3HG1 VAL 48 3HG1 VAL 48 -11.381 0.681 -0.381 337 1HG2 VAL 48 1HG2 VAL 48 -14.536 0.579 2.360 338 2HG2 VAL 48 2HG2 VAL 48 -14.598 0.106 0.645 339 3HG2 VAL 48 3HG2 VAL 48 -13.658 -0.866 1.803 340 H VAL 49 H VAL 49 -9.277 0.137 0.896 341 HA VAL 49 HA VAL 49 -8.395 2.909 1.495 342 HB VAL 49 HB VAL 49 -6.574 0.507 1.817 343 1HG1 VAL 49 1HG1 VAL 49 -6.516 3.439 2.625 344 2HG1 VAL 49 2HG1 VAL 49 -5.377 2.233 3.269 345 3HG1 VAL 49 3HG1 VAL 49 -5.405 2.588 1.525 346 1HG2 VAL 49 1HG2 VAL 49 -8.440 1.834 3.807 347 2HG2 VAL 49 2HG2 VAL 49 -8.217 0.099 3.480 348 3HG2 VAL 49 3HG2 VAL 49 -6.950 1.014 4.332 349 H THR 50 H THR 50 -7.432 3.889 -0.212 350 HA THR 50 HA THR 50 -7.108 2.264 -2.658 351 HB THR 50 HB THR 50 -7.431 5.190 -2.020 352 HG1 THR 50 1HG THR 50 -8.586 3.284 -3.771 353 1HG2 THR 50 1HG2 THR 50 -5.998 5.802 -3.650 354 2HG2 THR 50 2HG2 THR 50 -5.629 4.098 -4.008 355 3HG2 THR 50 3HG2 THR 50 -6.997 4.901 -4.816 356 H LEU 51 H LEU 51 -5.167 1.691 -3.453 357 HA LEU 51 HA LEU 51 -2.770 2.864 -2.133 358 1HB LEU 51 1HB LEU 51 -3.408 0.160 -3.314 359 2HB LEU 51 2HB LEU 51 -1.721 0.711 -3.185 360 HG LEU 51 HG LEU 51 -3.740 0.255 -0.969 361 1HD1 LEU 51 1HD1 LEU 51 -1.245 -0.961 -1.966 362 2HD1 LEU 51 2HD1 LEU 51 -1.226 -0.648 -0.214 363 3HD1 LEU 51 3HD1 LEU 51 -2.512 -1.653 -0.924 364 1HD2 LEU 51 1HD2 LEU 51 -1.935 1.279 0.527 365 2HD2 LEU 51 2HD2 LEU 51 -1.219 1.956 -0.956 366 3HD2 LEU 51 3HD2 LEU 51 -2.862 2.432 -0.464 367 H GLN 52 H GLN 52 -1.491 4.155 -3.317 368 HA GLN 52 HA GLN 52 -1.834 4.074 -6.276 369 1HB GLN 52 1HB GLN 52 -1.291 6.290 -4.299 370 2HB GLN 52 2HB GLN 52 -0.782 6.455 -5.996 371 1HG GLN 52 1HG GLN 52 -3.361 5.470 -6.232 372 2HG GLN 52 2HG GLN 52 -3.485 6.535 -4.814 373 1HE2 GLN 52 1HE2 GLN 52 -1.922 6.515 -8.076 374 2HE2 GLN 52 2HE2 GLN 52 -2.337 8.169 -8.470 375 H PHE 53 H PHE 53 -0.228 2.885 -7.148 376 HA PHE 53 HA PHE 53 2.541 3.541 -6.293 377 1HB PHE 53 1HB PHE 53 3.145 1.194 -6.349 378 2HB PHE 53 2HB PHE 53 1.827 1.442 -5.192 379 HD1 PHE 53 1HD PHE 53 -0.533 0.831 -5.870 380 HD2 PHE 53 2HD PHE 53 2.910 -0.285 -8.182 381 HE1 PHE 53 1HE PHE 53 -1.871 -0.911 -7.021 382 HE2 PHE 53 2HE PHE 53 1.572 -2.028 -9.333 383 HZ PHE 53 HZ PHE 53 -0.818 -2.341 -8.753 384 H GLN 54 H GLN 54 4.148 3.122 -7.948 385 HA GLN 54 HA GLN 54 2.958 3.324 -10.659 386 1HB GLN 54 1HB GLN 54 4.712 4.978 -9.475 387 2HB GLN 54 2HB GLN 54 5.866 3.797 -10.137 388 1HG GLN 54 1HG GLN 54 5.126 4.157 -12.365 389 2HG GLN 54 2HG GLN 54 3.640 4.970 -11.827 390 1HE2 GLN 54 1HE2 GLN 54 6.997 5.331 -12.653 391 2HE2 GLN 54 2HE2 GLN 54 7.118 7.055 -12.370 392 H ARG 55 H ARG 55 2.840 1.449 -11.740 393 HA ARG 55 HA ARG 55 4.118 -0.939 -11.045 394 1HB ARG 55 1HB ARG 55 2.354 -0.014 -13.043 395 2HB ARG 55 2HB ARG 55 3.732 -0.724 -13.918 396 1HG ARG 55 1HG ARG 55 2.342 -2.120 -11.599 397 2HG ARG 55 2HG ARG 55 1.868 -2.356 -13.299 398 1HD ARG 55 1HD ARG 55 3.949 -3.321 -13.868 399 2HD ARG 55 2HD ARG 55 4.746 -2.679 -12.416 400 HE ARG 55 HE ARG 55 2.751 -4.357 -11.456 401 1HH1 ARG 55 1HH1 ARG 55 4.482 -7.420 -11.708 402 2HH1 ARG 55 2HH1 ARG 55 3.154 -6.575 -10.946 403 1HH2 ARG 55 1HH2 ARG 55 5.839 -6.315 -13.233 404 2HH2 ARG 55 2HH2 ARG 55 5.534 -4.636 -13.619 405 H ASN 56 H ASN 56 5.037 1.369 -13.671 406 HA ASN 56 HA ASN 56 7.781 0.212 -13.532 407 1HB ASN 56 1HB ASN 56 6.355 1.633 -15.813 408 2HB ASN 56 2HB ASN 56 8.018 1.008 -15.858 409 1HD2 ASN 56 1HD2 ASN 56 5.894 0.214 -17.642 410 2HD2 ASN 56 2HD2 ASN 56 5.583 -1.486 -17.367 411 H LEU 57 H LEU 57 9.536 1.583 -13.323 412 HA LEU 57 HA LEU 57 8.914 4.232 -12.245 413 1HB LEU 57 1HB LEU 57 10.561 2.885 -11.091 414 2HB LEU 57 2HB LEU 57 11.494 2.659 -12.590 415 HG LEU 57 HG LEU 57 12.051 5.009 -12.684 416 1HD1 LEU 57 1HD1 LEU 57 9.707 5.205 -10.937 417 2HD1 LEU 57 2HD1 LEU 57 11.087 6.135 -10.304 418 3HD1 LEU 57 3HD1 LEU 57 10.476 6.455 -11.945 419 1HD2 LEU 57 1HD2 LEU 57 12.709 3.317 -10.462 420 2HD2 LEU 57 2HD2 LEU 57 13.687 4.617 -11.185 421 3HD2 LEU 57 3HD2 LEU 57 12.560 4.984 -9.857 422 H SER 58 H SER 58 10.951 2.875 -14.898 423 HA SER 58 HA SER 58 11.853 5.234 -16.026 424 1HB SER 58 1HB SER 58 12.183 2.704 -16.675 425 2HB SER 58 2HB SER 58 10.833 3.016 -17.792 426 HG SER 58 HG SER 58 12.433 5.061 -18.026 427 H ASP 59 H ASP 59 8.709 3.584 -16.602 428 HA ASP 59 HA ASP 59 7.803 6.007 -18.064 429 1HB ASP 59 1HB ASP 59 7.672 3.609 -19.036 430 2HB ASP 59 2HB ASP 59 6.348 3.362 -17.876 431 HA PRO 60 HA PRO 60 5.323 7.152 -14.613 432 1HB PRO 60 1HB PRO 60 3.544 8.811 -15.840 433 2HB PRO 60 2HB PRO 60 5.288 9.214 -15.724 434 1HG PRO 60 1HG PRO 60 3.857 7.902 -18.052 435 2HG PRO 60 2HG PRO 60 4.922 9.344 -18.103 436 1HD PRO 60 1HD PRO 60 5.876 6.852 -18.659 437 2HD PRO 60 2HD PRO 60 6.859 8.009 -17.711 438 H ARG 61 H ARG 61 4.819 4.542 -15.631 439 HA ARG 61 HA ARG 61 2.023 4.274 -16.330 440 1HB ARG 61 1HB ARG 61 3.470 2.569 -17.119 441 2HB ARG 61 2HB ARG 61 4.236 2.365 -15.525 442 1HG ARG 61 1HG ARG 61 2.613 0.949 -14.813 443 2HG ARG 61 2HG ARG 61 1.316 1.984 -15.457 444 1HD ARG 61 1HD ARG 61 1.181 0.812 -17.399 445 2HD ARG 61 2HD ARG 61 2.946 0.655 -17.535 446 HE ARG 61 HE ARG 61 2.196 -1.023 -15.432 447 1HH1 ARG 61 1HH1 ARG 61 1.379 -3.861 -17.360 448 2HH1 ARG 61 2HH1 ARG 61 1.811 -3.276 -15.769 449 1HH2 ARG 61 1HH2 ARG 61 1.192 -2.374 -19.132 450 2HH2 ARG 61 2HH2 ARG 61 1.483 -0.668 -18.877 451 H LEU 62 H LEU 62 1.031 5.531 -14.613 452 HA LEU 62 HA LEU 62 1.326 4.647 -11.862 453 1HB LEU 62 1HB LEU 62 0.270 6.900 -13.263 454 2HB LEU 62 2HB LEU 62 -1.051 6.203 -12.295 455 HG LEU 62 HG LEU 62 0.422 7.924 -11.100 456 1HD1 LEU 62 1HD1 LEU 62 -0.900 5.712 -10.182 457 2HD1 LEU 62 2HD1 LEU 62 0.743 5.388 -9.579 458 3HD1 LEU 62 3HD1 LEU 62 -0.091 6.893 -9.125 459 1HD2 LEU 62 1HD2 LEU 62 2.649 7.544 -10.774 460 2HD2 LEU 62 2HD2 LEU 62 2.417 5.792 -10.558 461 3HD2 LEU 62 3HD2 LEU 62 2.484 6.486 -12.196 462 H GLU 63 H GLU 63 -0.045 3.361 -10.667 463 HA GLU 63 HA GLU 63 -2.417 2.252 -12.068 464 1HB GLU 63 1HB GLU 63 -0.245 0.659 -10.650 465 2HB GLU 63 2HB GLU 63 -1.791 -0.007 -11.229 466 1HG GLU 63 1HG GLU 63 -1.185 0.870 -13.535 467 2HG GLU 63 2HG GLU 63 0.430 1.240 -12.892 468 H THR 64 H THR 64 -4.185 2.000 -10.771 469 HA THR 64 HA THR 64 -3.771 2.607 -7.881 470 HB THR 64 HB THR 64 -6.291 3.280 -8.129 471 HG1 THR 64 1HG THR 64 -6.774 3.963 -10.216 472 1HG2 THR 64 1HG2 THR 64 -5.557 5.458 -8.175 473 2HG2 THR 64 2HG2 THR 64 -3.968 4.674 -8.012 474 3HG2 THR 64 3HG2 THR 64 -4.543 5.196 -9.614 475 H ILE 65 H ILE 65 -4.779 1.318 -6.354 476 HA ILE 65 HA ILE 65 -6.412 -0.945 -7.362 477 HB ILE 65 HB ILE 65 -3.971 -1.605 -7.106 478 1HG1 ILE 65 1HG1 ILE 65 -5.899 -2.943 -5.164 479 2HG1 ILE 65 2HG1 ILE 65 -5.937 -3.180 -6.927 480 1HG2 ILE 65 1HG2 ILE 65 -4.061 -0.086 -4.839 481 2HG2 ILE 65 2HG2 ILE 65 -4.342 -1.704 -4.153 482 3HG2 ILE 65 3HG2 ILE 65 -2.874 -1.386 -5.108 483 1HD1 ILE 65 1HD1 ILE 65 -3.295 -3.628 -6.445 484 2HD1 ILE 65 2HD1 ILE 65 -3.990 -4.184 -4.904 485 3HD1 ILE 65 3HD1 ILE 65 -4.523 -4.916 -6.437 486 H THR 66 H THR 66 -8.223 -1.190 -6.180 487 HA THR 66 HA THR 66 -8.349 0.256 -3.588 488 HB THR 66 HB THR 66 -10.643 -0.851 -5.243 489 HG1 THR 66 1HG THR 66 -9.289 1.635 -5.324 490 1HG2 THR 66 1HG2 THR 66 -11.868 -0.111 -3.503 491 2HG2 THR 66 2HG2 THR 66 -10.383 0.404 -2.666 492 3HG2 THR 66 3HG2 THR 66 -11.225 1.529 -3.759 493 H LEU 67 H LEU 67 -8.235 -0.903 -1.768 494 HA LEU 67 HA LEU 67 -8.660 -3.827 -1.942 495 1HB LEU 67 1HB LEU 67 -7.597 -2.203 0.394 496 2HB LEU 67 2HB LEU 67 -7.424 -3.951 0.104 497 HG LEU 67 HG LEU 67 -6.390 -1.975 -1.934 498 1HD1 LEU 67 1HD1 LEU 67 -4.428 -1.555 -0.769 499 2HD1 LEU 67 2HD1 LEU 67 -5.582 -1.612 0.585 500 3HD1 LEU 67 3HD1 LEU 67 -4.572 -3.031 0.216 501 1HD2 LEU 67 1HD2 LEU 67 -4.960 -3.796 -2.544 502 2HD2 LEU 67 2HD2 LEU 67 -5.309 -4.669 -1.032 503 3HD2 LEU 67 3HD2 LEU 67 -6.568 -4.511 -2.280 504 H GLN 68 H GLN 68 -10.464 -4.764 -1.179 505 HA GLN 68 HA GLN 68 -12.503 -3.080 0.062 506 1HB GLN 68 1HB GLN 68 -12.418 -6.021 -0.713 507 2HB GLN 68 2HB GLN 68 -13.851 -5.188 -0.066 508 1HG GLN 68 1HG GLN 68 -12.372 -4.090 -2.466 509 2HG GLN 68 2HG GLN 68 -13.576 -5.383 -2.657 510 1HE2 GLN 68 1HE2 GLN 68 -13.026 -1.993 -1.901 511 2HE2 GLN 68 2HE2 GLN 68 -14.707 -1.507 -1.876 512 H LYS 69 H LYS 69 -13.797 -4.473 1.887 513 HA LYS 69 HA LYS 69 -12.242 -4.257 4.223 514 1HB LYS 69 1HB LYS 69 -14.705 -5.992 3.808 515 2HB LYS 69 2HB LYS 69 -14.124 -5.295 5.339 516 1HG LYS 69 1HG LYS 69 -14.926 -3.207 4.844 517 2HG LYS 69 2HG LYS 69 -14.542 -3.359 3.113 518 1HD LYS 69 1HD LYS 69 -16.780 -4.953 4.403 519 2HD LYS 69 2HD LYS 69 -17.043 -3.314 3.762 520 1HE LYS 69 1HE LYS 69 -17.239 -4.173 1.694 521 2HE LYS 69 2HE LYS 69 -15.564 -4.758 1.797 522 1HZ LYS 69 1HZ LYS 69 -17.348 -6.397 3.233 523 2HZ LYS 69 2HZ LYS 69 -17.799 -6.272 1.652 524 3HZ LYS 69 3HZ LYS 69 -16.283 -6.796 2.039 525 H TRP 70 H TRP 70 -10.535 -5.446 4.826 526 HA TRP 70 HA TRP 70 -9.284 -7.301 5.340 527 1HB TRP 70 1HB TRP 70 -11.684 -8.896 4.397 528 2HB TRP 70 2HB TRP 70 -10.321 -9.504 5.346 529 HD1 TRP 70 HD TRP 70 -13.738 -8.385 5.746 530 HE1 TRP 70 1HE TRP 70 -14.308 -7.796 8.157 531 HE3 TRP 70 3HE TRP 70 -8.997 -8.127 7.658 532 HZ2 TRP 70 2HZ TRP 70 -12.888 -7.272 10.624 533 HZ3 TRP 70 3HZ TRP 70 -8.646 -7.581 10.039 534 HH2 TRP 70 HH TRP 70 -10.576 -7.152 11.532 535 H GLY 71 H GLY 71 -9.566 -5.997 2.609 536 1HA GLY 71 1HA GLY 71 -9.156 -8.075 0.653 537 2HA GLY 71 2HA GLY 71 -8.841 -6.337 0.448 538 H SER 72 H SER 72 -7.161 -8.510 -0.500 539 HA SER 72 HA SER 72 -4.693 -7.791 0.982 540 1HB SER 72 1HB SER 72 -4.260 -10.410 0.162 541 2HB SER 72 2HB SER 72 -4.633 -9.886 1.822 542 HG SER 72 HG SER 72 -6.928 -9.957 0.663 543 H TRP 73 H TRP 73 -2.730 -8.094 -0.322 544 HA TRP 73 HA TRP 73 -3.259 -8.292 -3.236 545 1HB TRP 73 1HB TRP 73 -3.203 -5.888 -2.374 546 2HB TRP 73 2HB TRP 73 -1.497 -6.166 -2.000 547 HD1 TRP 73 HD TRP 73 -3.047 -7.571 -5.184 548 HE1 TRP 73 1HE TRP 73 -2.040 -6.429 -7.225 549 HE3 TRP 73 3HE TRP 73 -0.337 -3.932 -2.816 550 HZ2 TRP 73 2HZ TRP 73 -0.271 -4.206 -7.775 551 HZ3 TRP 73 3HZ TRP 73 0.995 -2.323 -4.130 552 HH2 TRP 73 HH TRP 73 1.039 -2.446 -6.604 553 H ASN 74 H ASN 74 -1.527 -9.107 -4.449 554 HA ASN 74 HA ASN 74 1.075 -9.538 -3.281 555 1HB ASN 74 1HB ASN 74 -0.315 -11.267 -2.100 556 2HB ASN 74 2HB ASN 74 -0.686 -11.983 -3.683 557 1HD2 ASN 74 1HD2 ASN 74 0.469 -13.703 -2.028 558 2HD2 ASN 74 2HD2 ASN 74 2.168 -13.931 -2.382 559 HA PRO 75 HA PRO 75 0.704 -9.509 -7.895 560 1HB PRO 75 1HB PRO 75 2.499 -7.511 -8.351 561 2HB PRO 75 2HB PRO 75 0.816 -7.169 -7.833 562 1HG PRO 75 1HG PRO 75 3.276 -7.364 -6.072 563 2HG PRO 75 2HG PRO 75 2.084 -6.025 -6.132 564 1HD PRO 75 1HD PRO 75 1.898 -8.012 -4.275 565 2HD PRO 75 2HD PRO 75 0.427 -7.366 -5.062 566 H GLY 76 H GLY 76 3.907 -8.479 -6.633 567 1HA GLY 76 1HA GLY 76 5.295 -10.795 -6.367 568 2HA GLY 76 2HA GLY 76 5.191 -10.631 -8.134 569 H HIS 77 H HIS 77 6.046 -8.759 -5.176 570 HA HIS 77 HA HIS 77 7.696 -7.220 -4.796 571 1HB HIS 77 1HB HIS 77 9.329 -8.806 -5.333 572 2HB HIS 77 2HB HIS 77 8.852 -8.866 -7.040 573 HD1 HIS 77 1HD HIS 77 9.346 -5.393 -5.642 574 HD2 HIS 77 2HD HIS 77 11.516 -8.412 -7.638 575 HE1 HIS 77 1HE HIS 77 11.483 -4.287 -6.544 576 HE2 HIS 77 2HE HIS 77 12.792 -6.130 -7.755 577 H ILE 78 H ILE 78 6.648 -5.295 -5.163 578 HA ILE 78 HA ILE 78 6.364 -4.333 -7.931 579 HB ILE 78 HB ILE 78 5.553 -3.076 -5.281 580 1HG1 ILE 78 1HG1 ILE 78 4.556 -5.395 -6.258 581 2HG1 ILE 78 2HG1 ILE 78 3.547 -4.192 -5.420 582 1HG2 ILE 78 1HG2 ILE 78 5.771 -1.436 -7.084 583 2HG2 ILE 78 2HG2 ILE 78 4.835 -2.479 -8.182 584 3HG2 ILE 78 3HG2 ILE 78 4.045 -1.738 -6.770 585 1HD1 ILE 78 1HD1 ILE 78 3.971 -4.348 -8.435 586 2HD1 ILE 78 2HD1 ILE 78 2.522 -4.909 -7.567 587 3HD1 ILE 78 3HD1 ILE 78 2.936 -3.178 -7.584 588 H HIS 79 H HIS 79 7.146 -2.189 -8.543 589 HA HIS 79 HA HIS 79 9.891 -1.831 -8.004 590 1HB HIS 79 1HB HIS 79 9.102 -0.922 -10.007 591 2HB HIS 79 2HB HIS 79 7.713 -0.145 -9.225 592 HD1 HIS 79 1HD HIS 79 11.523 0.251 -8.512 593 HD2 HIS 79 2HD HIS 79 8.030 2.416 -9.467 594 HE1 HIS 79 1HE HIS 79 12.177 2.737 -8.511 595 HE2 HIS 79 2HE HIS 79 10.047 4.041 -9.092 596 H GLU 80 H GLU 80 7.416 0.661 -7.231 597 HA GLU 80 HA GLU 80 8.220 0.755 -4.439 598 1HB GLU 80 1HB GLU 80 10.095 1.943 -5.598 599 2HB GLU 80 2HB GLU 80 8.911 3.101 -6.248 600 1HG GLU 80 1HG GLU 80 8.204 3.216 -3.656 601 2HG GLU 80 2HG GLU 80 9.904 2.743 -3.444 602 H ILE 81 H ILE 81 6.806 2.035 -3.183 603 HA ILE 81 HA ILE 81 4.220 2.489 -4.453 604 HB ILE 81 HB ILE 81 5.244 2.829 -1.610 605 1HG1 ILE 81 1HG1 ILE 81 5.024 0.500 -2.693 606 2HG1 ILE 81 2HG1 ILE 81 4.138 0.762 -1.172 607 1HG2 ILE 81 1HG2 ILE 81 2.887 3.117 -0.989 608 2HG2 ILE 81 2HG2 ILE 81 3.362 4.380 -2.150 609 3HG2 ILE 81 3HG2 ILE 81 2.400 2.986 -2.696 610 1HD1 ILE 81 1HD1 ILE 81 2.634 1.521 -3.610 611 2HD1 ILE 81 2HD1 ILE 81 3.014 -0.214 -3.490 612 3HD1 ILE 81 3HD1 ILE 81 2.106 0.590 -2.187 613 H LEU 82 H LEU 82 3.254 4.438 -4.889 614 HA LEU 82 HA LEU 82 5.045 6.770 -4.904 615 1HB LEU 82 1HB LEU 82 2.200 6.531 -5.944 616 2HB LEU 82 2HB LEU 82 3.424 7.745 -6.386 617 HG LEU 82 HG LEU 82 3.127 4.917 -7.281 618 1HD1 LEU 82 1HD1 LEU 82 4.457 6.038 -9.226 619 2HD1 LEU 82 2HD1 LEU 82 2.779 6.559 -8.941 620 3HD1 LEU 82 3HD1 LEU 82 4.133 7.561 -8.364 621 1HD2 LEU 82 1HD2 LEU 82 5.706 5.027 -7.778 622 2HD2 LEU 82 2HD2 LEU 82 5.741 6.152 -6.398 623 3HD2 LEU 82 3HD2 LEU 82 5.152 4.487 -6.176 624 H SER 83 H SER 83 1.574 6.258 -4.040 625 HA SER 83 HA SER 83 2.032 7.752 -1.537 626 1HB SER 83 1HB SER 83 1.366 9.314 -3.506 627 2HB SER 83 2HB SER 83 -0.237 8.551 -3.369 628 HG SER 83 HG SER 83 0.994 10.361 -1.734 629 H ILE 84 H ILE 84 -0.096 7.767 -0.228 630 HA ILE 84 HA ILE 84 -1.660 5.300 -0.787 631 HB ILE 84 HB ILE 84 -0.228 6.104 1.762 632 1HG1 ILE 84 1HG1 ILE 84 -0.368 3.556 0.094 633 2HG1 ILE 84 2HG1 ILE 84 1.007 4.682 0.183 634 1HG2 ILE 84 1HG2 ILE 84 -1.506 4.334 2.899 635 2HG2 ILE 84 2HG2 ILE 84 -2.609 5.582 2.271 636 3HG2 ILE 84 3HG2 ILE 84 -2.438 4.032 1.413 637 1HD1 ILE 84 1HD1 ILE 84 1.553 2.922 1.694 638 2HD1 ILE 84 2HD1 ILE 84 0.976 4.253 2.726 639 3HD1 ILE 84 3HD1 ILE 84 -0.096 2.879 2.363 640 H ARG 85 H ARG 85 -3.809 5.624 -0.664 641 HA ARG 85 HA ARG 85 -4.743 8.044 0.806 642 1HB ARG 85 1HB ARG 85 -4.989 8.581 -1.492 643 2HB ARG 85 2HB ARG 85 -5.537 6.938 -1.902 644 1HG ARG 85 1HG ARG 85 -7.660 7.269 -0.944 645 2HG ARG 85 2HG ARG 85 -7.100 8.625 0.064 646 1HD ARG 85 1HD ARG 85 -6.963 10.094 -1.816 647 2HD ARG 85 2HD ARG 85 -7.120 8.752 -2.969 648 HE ARG 85 HE ARG 85 -9.446 8.688 -1.434 649 1HH1 ARG 85 1HH1 ARG 85 -11.300 11.075 -3.253 650 2HH1 ARG 85 2HH1 ARG 85 -11.384 9.740 -2.126 651 1HH2 ARG 85 1HH2 ARG 85 -9.242 11.790 -4.053 652 2HH2 ARG 85 2HH2 ARG 85 -7.775 10.994 -3.530 653 H ILE 86 H ILE 86 -6.284 7.685 2.306 654 HA ILE 86 HA ILE 86 -7.547 4.984 2.320 655 HB ILE 86 HB ILE 86 -7.042 6.856 4.665 656 1HG1 ILE 86 1HG1 ILE 86 -5.563 4.275 4.125 657 2HG1 ILE 86 2HG1 ILE 86 -5.008 5.795 3.383 658 1HG2 ILE 86 1HG2 ILE 86 -7.295 4.090 5.356 659 2HG2 ILE 86 2HG2 ILE 86 -8.391 5.430 5.770 660 3HG2 ILE 86 3HG2 ILE 86 -8.650 4.498 4.276 661 1HD1 ILE 86 1HD1 ILE 86 -5.507 5.411 6.365 662 2HD1 ILE 86 2HD1 ILE 86 -3.908 5.314 5.588 663 3HD1 ILE 86 3HD1 ILE 86 -4.812 6.847 5.577 664 H TYR 87 H TYR 87 -9.748 4.844 2.385 665 HA TYR 87 HA TYR 87 -11.226 7.326 1.912 666 1HB TYR 87 1HB TYR 87 -11.836 4.374 1.831 667 2HB TYR 87 2HB TYR 87 -13.147 5.565 1.808 668 HD1 TYR 87 1HD TYR 87 -13.621 6.866 -0.146 669 HD2 TYR 87 2HD TYR 87 -10.169 4.313 -0.018 670 HE1 TYR 87 1HE TYR 87 -13.319 7.152 -2.590 671 HE2 TYR 87 2HE TYR 87 -9.867 4.599 -2.462 672 HH TYR 87 HH TYR 87 -12.229 6.238 -4.489
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