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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 | in_recoord | stage | position | program | type |
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6078 |
1ieh ![]() ![]() |
4969 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 1HT ASP 1 -9.660 -10.701 9.293 2 2H ASP 1 2HT ASP 1 -10.955 -10.120 10.213 3 3H ASP 1 3HT ASP 1 -9.817 -9.042 9.579 4 HA ASP 1 HA ASP 1 -11.893 -10.575 8.149 5 1HB ASP 1 2HB ASP 1 -11.430 -7.790 7.437 6 2HB ASP 1 1HB ASP 1 -12.914 -8.578 7.965 7 H VAL 2 H VAL 2 -9.331 -8.207 7.401 8 HA VAL 2 HA VAL 2 -8.721 -9.778 4.981 9 HB VAL 2 HB VAL 2 -8.057 -6.879 5.058 10 1HG1 VAL 2 1HG1 VAL 2 -7.777 -7.169 2.868 11 2HG1 VAL 2 2HG1 VAL 2 -9.340 -7.967 2.695 12 3HG1 VAL 2 3HG1 VAL 2 -7.924 -8.899 3.182 13 1HG2 VAL 2 1HG2 VAL 2 -10.196 -6.097 4.604 14 2HG2 VAL 2 2HG2 VAL 2 -10.474 -7.263 5.896 15 3HG2 VAL 2 3HG2 VAL 2 -10.812 -7.705 4.224 16 H GLN 3 H GLN 3 -6.801 -10.714 5.096 17 HA GLN 3 HA GLN 3 -4.632 -9.307 6.508 18 1HB GLN 3 2HB GLN 3 -5.507 -11.446 7.590 19 2HB GLN 3 1HB GLN 3 -4.815 -12.302 6.217 20 1HG GLN 3 2HG GLN 3 -2.847 -10.540 7.268 21 2HG GLN 3 1HG GLN 3 -3.543 -11.470 8.596 22 1HE2 GLN 3 1HE2 GLN 3 -0.927 -11.489 6.993 23 2HE2 GLN 3 2HE2 GLN 3 -0.689 -13.163 6.638 24 H LEU 4 H LEU 4 -2.688 -9.119 5.487 25 HA LEU 4 HA LEU 4 -2.448 -10.384 2.839 26 1HB LEU 4 2HB LEU 4 -1.084 -7.821 3.051 27 2HB LEU 4 1HB LEU 4 -2.148 -8.425 1.796 28 HG LEU 4 HG LEU 4 -3.187 -7.318 4.401 29 1HD1 LEU 4 1HD1 LEU 4 -2.151 -5.920 2.040 30 2HD1 LEU 4 2HD1 LEU 4 -2.381 -5.350 3.693 31 3HD1 LEU 4 3HD1 LEU 4 -3.749 -5.403 2.578 32 1HD2 LEU 4 1HD2 LEU 4 -5.276 -7.170 3.290 33 2HD2 LEU 4 2HD2 LEU 4 -4.649 -8.791 2.981 34 3HD2 LEU 4 3HD2 LEU 4 -4.547 -7.553 1.729 35 H GLN 5 H GLN 5 -0.147 -10.373 2.029 36 HA GLN 5 HA GLN 5 1.798 -10.554 4.225 37 1HB GLN 5 2HB GLN 5 1.225 -12.820 3.930 38 2HB GLN 5 1HB GLN 5 1.131 -12.659 2.182 39 1HG GLN 5 2HG GLN 5 3.773 -12.004 3.037 40 2HG GLN 5 1HG GLN 5 3.298 -13.549 3.741 41 1HE2 GLN 5 1HE2 GLN 5 4.565 -14.848 2.511 42 2HE2 GLN 5 2HE2 GLN 5 4.378 -15.041 0.804 43 H ALA 6 H ALA 6 3.761 -9.710 3.774 44 HA ALA 6 HA ALA 6 4.293 -8.964 0.976 45 1HB ALA 6 1HB ALA 6 5.684 -7.083 2.208 46 2HB ALA 6 2HB ALA 6 4.487 -7.375 3.470 47 3HB ALA 6 3HB ALA 6 3.967 -6.893 1.854 48 H SER 7 H SER 7 6.439 -8.967 0.259 49 HA SER 7 HA SER 7 8.651 -9.686 1.863 50 1HB SER 7 2HB SER 7 7.045 -11.876 0.755 51 2HB SER 7 1HB SER 7 8.752 -11.965 0.320 52 HG SER 7 HG SER 7 8.303 -11.341 2.954 53 H GLY 8 H GLY 8 10.448 -10.680 0.240 54 1HA GLY 8 2HA GLY 8 11.294 -10.593 -2.020 55 2HA GLY 8 1HA GLY 8 10.233 -9.225 -2.314 56 H GLY 9 H GLY 9 11.690 -8.998 0.715 57 1HA GLY 9 2HA GLY 9 13.144 -6.677 0.031 58 2HA GLY 9 1HA GLY 9 13.264 -7.549 1.552 59 H GLY 10 H GLY 10 15.282 -6.282 -0.308 60 1HA GLY 10 2HA GLY 10 17.121 -8.574 -0.300 61 2HA GLY 10 1HA GLY 10 16.938 -7.644 -1.778 62 H LEU 11 H LEU 11 19.363 -7.601 -1.232 63 HA LEU 11 HA LEU 11 19.950 -5.302 0.511 64 1HB LEU 11 2HB LEU 11 21.281 -7.854 0.032 65 2HB LEU 11 1HB LEU 11 22.370 -6.489 -0.124 66 HG LEU 11 HG LEU 11 22.439 -7.393 2.131 67 1HD1 LEU 11 1HD1 LEU 11 21.008 -4.745 2.159 68 2HD1 LEU 11 2HD1 LEU 11 22.704 -4.947 1.725 69 3HD1 LEU 11 3HD1 LEU 11 22.155 -5.360 3.349 70 1HD2 LEU 11 1HD2 LEU 11 19.585 -6.565 2.529 71 2HD2 LEU 11 2HD2 LEU 11 20.593 -7.600 3.541 72 3HD2 LEU 11 3HD2 LEU 11 20.003 -8.189 1.988 73 H VAL 12 H VAL 12 20.151 -3.466 -0.613 74 HA VAL 12 HA VAL 12 21.470 -3.597 -3.250 75 HB VAL 12 HB VAL 12 20.208 -1.703 -3.983 76 1HG1 VAL 12 1HG1 VAL 12 17.811 -2.816 -3.034 77 2HG1 VAL 12 2HG1 VAL 12 18.969 -4.142 -3.146 78 3HG1 VAL 12 3HG1 VAL 12 18.629 -3.144 -4.561 79 1HG2 VAL 12 1HG2 VAL 12 18.746 -1.599 -1.360 80 2HG2 VAL 12 2HG2 VAL 12 18.759 -0.411 -2.664 81 3HG2 VAL 12 3HG2 VAL 12 20.195 -0.638 -1.663 82 H GLN 13 H GLN 13 22.154 -1.172 -3.828 83 HA GLN 13 HA GLN 13 23.824 -0.235 -1.588 84 1HB GLN 13 2HB GLN 13 24.372 -0.525 -4.520 85 2HB GLN 13 1HB GLN 13 25.211 0.721 -3.608 86 1HG GLN 13 2HG GLN 13 26.564 -0.748 -2.614 87 2HG GLN 13 1HG GLN 13 25.262 -1.904 -2.335 88 1HE2 GLN 13 1HE2 GLN 13 24.592 -3.215 -4.172 89 2HE2 GLN 13 2HE2 GLN 13 25.772 -3.676 -5.347 90 HA PRO 14 HA PRO 14 21.936 3.751 -1.625 91 1HB PRO 14 2HB PRO 14 24.669 4.885 -2.016 92 2HB PRO 14 1HB PRO 14 23.447 5.286 -0.804 93 1HG PRO 14 2HG PRO 14 25.556 3.809 -0.149 94 2HG PRO 14 1HG PRO 14 23.950 3.437 0.507 95 1HD PRO 14 2HD PRO 14 25.484 2.055 -1.648 96 2HD PRO 14 1HD PRO 14 24.404 1.374 -0.415 97 H GLY 15 H GLY 15 20.906 3.495 -3.676 98 1HA GLY 15 2HA GLY 15 20.597 5.116 -5.533 99 2HA GLY 15 1HA GLY 15 22.306 4.894 -5.873 100 H GLY 16 H GLY 16 20.671 2.045 -4.931 101 1HA GLY 16 2HA GLY 16 20.898 1.030 -7.659 102 2HA GLY 16 1HA GLY 16 20.670 0.066 -6.208 103 H SER 17 H SER 17 18.895 -1.099 -6.718 104 HA SER 17 HA SER 17 16.362 0.243 -6.710 105 1HB SER 17 2HB SER 17 15.561 -0.442 -8.868 106 2HB SER 17 1HB SER 17 17.087 0.404 -9.118 107 HG SER 17 HG SER 17 17.981 -1.391 -9.792 108 H LEU 18 H LEU 18 14.884 -1.012 -5.754 109 HA LEU 18 HA LEU 18 15.317 -3.926 -5.730 110 1HB LEU 18 2HB LEU 18 15.780 -2.382 -3.557 111 2HB LEU 18 1HB LEU 18 14.074 -2.721 -3.334 112 HG LEU 18 HG LEU 18 16.121 -4.895 -3.755 113 1HD1 LEU 18 1HD1 LEU 18 16.339 -3.308 -1.660 114 2HD1 LEU 18 2HD1 LEU 18 16.530 -5.055 -1.516 115 3HD1 LEU 18 3HD1 LEU 18 15.003 -4.296 -1.066 116 1HD2 LEU 18 1HD2 LEU 18 13.419 -5.048 -2.446 117 2HD2 LEU 18 2HD2 LEU 18 14.443 -6.371 -3.005 118 3HD2 LEU 18 3HD2 LEU 18 13.657 -5.310 -4.174 119 H ARG 19 H ARG 19 13.566 -5.129 -6.184 120 HA ARG 19 HA ARG 19 11.003 -3.719 -6.480 121 1HB ARG 19 2HB ARG 19 11.890 -4.769 -8.521 122 2HB ARG 19 1HB ARG 19 11.920 -6.327 -7.707 123 1HG ARG 19 2HG ARG 19 9.511 -6.316 -7.512 124 2HG ARG 19 1HG ARG 19 9.438 -4.701 -8.221 125 1HD ARG 19 2HD ARG 19 10.733 -5.845 -10.190 126 2HD ARG 19 1HD ARG 19 10.048 -7.321 -9.513 127 HE ARG 19 HE ARG 19 7.872 -5.816 -9.715 128 1HH1 ARG 19 1HH1 ARG 19 10.468 -6.324 -11.985 129 2HH1 ARG 19 2HH1 ARG 19 9.464 -6.100 -13.379 130 1HH2 ARG 19 1HH2 ARG 19 6.545 -5.521 -11.544 131 2HH2 ARG 19 2HH2 ARG 19 7.234 -5.643 -13.129 132 H VAL 20 H VAL 20 9.866 -3.913 -4.652 133 HA VAL 20 HA VAL 20 9.744 -6.554 -3.357 134 HB VAL 20 HB VAL 20 9.364 -5.549 -1.310 135 1HG1 VAL 20 1HG1 VAL 20 11.484 -4.868 -1.338 136 2HG1 VAL 20 2HG1 VAL 20 10.836 -3.249 -1.598 137 3HG1 VAL 20 3HG1 VAL 20 11.347 -4.226 -2.974 138 1HG2 VAL 20 1HG2 VAL 20 8.605 -3.227 -0.997 139 2HG2 VAL 20 2HG2 VAL 20 7.454 -4.181 -1.931 140 3HG2 VAL 20 3HG2 VAL 20 8.516 -3.034 -2.748 141 H SER 21 H SER 21 7.668 -7.350 -2.634 142 HA SER 21 HA SER 21 5.330 -6.033 -3.805 143 1HB SER 21 2HB SER 21 4.569 -8.039 -4.924 144 2HB SER 21 1HB SER 21 6.197 -7.659 -5.484 145 HG SER 21 HG SER 21 6.961 -9.226 -3.963 146 H CYS 22 H CYS 22 3.270 -7.072 -3.142 147 HA CYS 22 HA CYS 22 3.398 -8.602 -0.666 148 1HB CYS 22 2HB CYS 22 3.392 -6.193 -0.018 149 2HB CYS 22 1HB CYS 22 1.855 -6.010 -0.857 150 H ALA 23 H ALA 23 2.188 -10.311 -1.100 151 HA ALA 23 HA ALA 23 -0.041 -10.125 -2.937 152 1HB ALA 23 1HB ALA 23 1.058 -12.092 -3.329 153 2HB ALA 23 2HB ALA 23 -0.189 -12.651 -2.214 154 3HB ALA 23 3HB ALA 23 1.445 -12.344 -1.626 155 H ALA 24 H ALA 24 -1.910 -9.355 -2.192 156 HA ALA 24 HA ALA 24 -2.688 -9.802 0.580 157 1HB ALA 24 1HB ALA 24 -3.858 -8.106 -1.615 158 2HB ALA 24 2HB ALA 24 -3.018 -7.571 -0.159 159 3HB ALA 24 3HB ALA 24 -4.620 -8.302 -0.036 160 H SER 25 H SER 25 -5.083 -10.327 0.931 161 HA SER 25 HA SER 25 -6.313 -12.004 -1.068 162 1HB SER 25 2HB SER 25 -4.636 -13.161 0.989 163 2HB SER 25 1HB SER 25 -6.299 -13.730 1.142 164 HG SER 25 HG SER 25 -5.341 -15.084 -0.293 165 H GLY 26 H GLY 26 -8.292 -11.134 -0.975 166 1HA GLY 26 2HA GLY 26 -10.215 -11.678 0.812 167 2HA GLY 26 1HA GLY 26 -9.427 -10.300 1.563 168 H PHE 27 H PHE 27 -8.822 -9.186 -1.176 169 HA PHE 27 HA PHE 27 -11.452 -8.580 -2.232 170 1HB PHE 27 2HB PHE 27 -11.271 -6.167 -1.913 171 2HB PHE 27 1HB PHE 27 -11.239 -6.996 -0.363 172 HD1 PHE 27 1HD PHE 27 -9.669 -6.361 1.186 173 HD2 PHE 27 2HD PHE 27 -8.886 -5.666 -2.937 174 HE1 PHE 27 1HE PHE 27 -7.605 -5.162 1.781 175 HE2 PHE 27 2HE PHE 27 -6.820 -4.476 -2.352 176 HZ PHE 27 HZ PHE 27 -6.177 -4.222 0.003 177 H THR 28 H THR 28 -10.846 -6.360 -3.738 178 HA THR 28 HA THR 28 -8.698 -7.354 -5.490 179 HB THR 28 HB THR 28 -10.813 -5.580 -6.600 180 HG1 THR 28 1HG THR 28 -11.716 -7.467 -5.263 181 1HG2 THR 28 1HG2 THR 28 -8.794 -6.501 -7.847 182 2HG2 THR 28 2HG2 THR 28 -10.366 -6.742 -8.610 183 3HG2 THR 28 3HG2 THR 28 -9.585 -8.073 -7.757 184 H PHE 29 H PHE 29 -7.256 -5.904 -6.363 185 HA PHE 29 HA PHE 29 -6.742 -3.567 -4.840 186 1HB PHE 29 2HB PHE 29 -5.493 -4.840 -7.242 187 2HB PHE 29 1HB PHE 29 -5.008 -3.217 -6.762 188 HD1 PHE 29 1HD PHE 29 -5.523 -6.595 -5.276 189 HD2 PHE 29 2HD PHE 29 -3.260 -2.994 -5.297 190 HE1 PHE 29 1HE PHE 29 -3.994 -7.552 -3.603 191 HE2 PHE 29 2HE PHE 29 -1.726 -3.943 -3.628 192 HZ PHE 29 HZ PHE 29 -2.092 -6.227 -2.778 193 H SER 30 H SER 30 -8.036 -4.097 -8.093 194 HA SER 30 HA SER 30 -8.162 -1.285 -8.677 195 1HB SER 30 2HB SER 30 -9.760 -2.340 -10.558 196 2HB SER 30 1HB SER 30 -8.002 -2.403 -10.668 197 HG SER 30 HG SER 30 -9.776 -4.426 -10.424 198 H SER 31 H SER 31 -9.532 -2.188 -6.255 199 HA SER 31 HA SER 31 -12.081 -0.897 -6.758 200 1HB SER 31 2HB SER 31 -12.706 -3.202 -7.114 201 2HB SER 31 1HB SER 31 -11.882 -3.701 -5.637 202 HG SER 31 HG SER 31 -13.996 -1.825 -5.618 203 H TYR 32 H TYR 32 -9.757 -2.280 -4.509 204 HA TYR 32 HA TYR 32 -10.822 -0.538 -2.389 205 1HB TYR 32 2HB TYR 32 -9.323 -3.143 -2.302 206 2HB TYR 32 1HB TYR 32 -9.340 -2.066 -0.910 207 HD1 TYR 32 1HD TYR 32 -11.569 -3.929 -3.227 208 HD2 TYR 32 2HD TYR 32 -11.146 -2.097 0.588 209 HE1 TYR 32 1HE TYR 32 -13.730 -4.877 -2.540 210 HE2 TYR 32 2HE TYR 32 -13.305 -3.042 1.289 211 HH TYR 32 HH TYR 32 -15.088 -5.278 -0.771 212 H HIS 33 H HIS 33 -9.306 0.576 -1.037 213 HA HIS 33 HA HIS 33 -7.041 1.572 -2.554 214 1HB HIS 33 2HB HIS 33 -7.703 2.492 0.220 215 2HB HIS 33 1HB HIS 33 -7.044 3.410 -1.131 216 HD1 HIS 33 1HD HIS 33 -10.324 1.763 -0.136 217 HD2 HIS 33 2HD HIS 33 -8.888 4.917 -2.428 218 HE1 HIS 33 1HE HIS 33 -12.365 2.987 -0.947 219 HE2 HIS 33 2HE HIS 33 -11.473 4.897 -2.329 220 H MET 34 H MET 34 -4.939 1.182 -2.126 221 HA MET 34 HA MET 34 -4.261 -0.257 0.343 222 1HB MET 34 2HB MET 34 -3.866 -1.140 -2.455 223 2HB MET 34 1HB MET 34 -2.510 -1.391 -1.364 224 1HG MET 34 2HG MET 34 -5.221 -2.239 -0.493 225 2HG MET 34 1HG MET 34 -4.362 -3.216 -1.683 226 1HE MET 34 1HE MET 34 -3.032 -5.628 0.199 227 2HE MET 34 2HE MET 34 -1.661 -4.739 -0.466 228 3HE MET 34 3HE MET 34 -3.180 -4.818 -1.361 229 H ALA 35 H ALA 35 -1.845 -0.258 0.729 230 HA ALA 35 HA ALA 35 -0.369 1.869 -0.553 231 1HB ALA 35 1HB ALA 35 -1.438 2.137 2.230 232 2HB ALA 35 2HB ALA 35 -1.497 3.291 0.895 233 3HB ALA 35 3HB ALA 35 0.028 2.976 1.722 234 H TRP 36 H TRP 36 1.803 2.146 0.371 235 HA TRP 36 HA TRP 36 2.852 -0.384 1.450 236 1HB TRP 36 2HB TRP 36 3.748 1.409 -0.718 237 2HB TRP 36 1HB TRP 36 5.024 0.861 0.361 238 HD1 TRP 36 HD TRP 36 3.236 -0.140 -2.680 239 HE1 TRP 36 1HE TRP 36 3.722 -2.601 -3.258 240 HE3 TRP 36 3HE TRP 36 5.326 -1.623 1.746 241 HZ2 TRP 36 2HZ TRP 36 4.833 -4.867 -2.007 242 HZ3 TRP 36 3HZ TRP 36 6.072 -3.956 1.972 243 HH2 TRP 36 HH TRP 36 5.829 -5.545 0.133 244 H VAL 37 H VAL 37 3.400 -0.180 3.528 245 HA VAL 37 HA VAL 37 4.353 2.420 4.514 246 HB VAL 37 HB VAL 37 3.941 1.375 6.802 247 1HG1 VAL 37 1HG1 VAL 37 1.265 1.425 5.973 248 2HG1 VAL 37 2HG1 VAL 37 2.131 2.539 4.915 249 3HG1 VAL 37 3HG1 VAL 37 2.208 2.745 6.664 250 1HG2 VAL 37 1HG2 VAL 37 2.920 -0.621 7.061 251 2HG2 VAL 37 2HG2 VAL 37 3.703 -0.953 5.514 252 3HG2 VAL 37 3HG2 VAL 37 2.006 -0.476 5.559 253 H ARG 38 H ARG 38 6.036 2.288 6.281 254 HA ARG 38 HA ARG 38 7.842 0.007 6.032 255 1HB ARG 38 2HB ARG 38 9.094 1.132 4.536 256 2HB ARG 38 1HB ARG 38 8.311 2.663 4.894 257 1HG ARG 38 2HG ARG 38 9.764 2.581 7.057 258 2HG ARG 38 1HG ARG 38 10.734 1.439 6.124 259 1HD ARG 38 2HD ARG 38 11.761 3.412 5.569 260 2HD ARG 38 1HD ARG 38 10.567 3.293 4.276 261 HE ARG 38 HE ARG 38 9.506 4.715 6.483 262 1HH1 ARG 38 1HH1 ARG 38 11.724 5.045 3.812 263 2HH1 ARG 38 2HH1 ARG 38 11.542 6.764 3.710 264 1HH2 ARG 38 1HH2 ARG 38 9.265 6.974 6.355 265 2HH2 ARG 38 2HH2 ARG 38 10.146 7.861 5.156 266 H GLN 39 H GLN 39 9.358 -0.188 7.750 267 HA GLN 39 HA GLN 39 9.094 1.694 9.968 268 1HB GLN 39 2HB GLN 39 7.423 0.051 10.500 269 2HB GLN 39 1HB GLN 39 8.539 -1.266 10.158 270 1HG GLN 39 2HG GLN 39 9.676 -1.005 12.131 271 2HG GLN 39 1HG GLN 39 9.241 0.698 12.291 272 1HE2 GLN 39 1HE2 GLN 39 6.462 0.394 11.856 273 2HE2 GLN 39 2HE2 GLN 39 5.796 -0.408 13.234 274 H ALA 40 H ALA 40 11.158 2.335 10.137 275 HA ALA 40 HA ALA 40 13.391 0.587 9.688 276 1HB ALA 40 1HB ALA 40 14.137 2.935 11.145 277 2HB ALA 40 2HB ALA 40 12.967 3.377 9.902 278 3HB ALA 40 3HB ALA 40 14.451 2.536 9.456 279 HA PRO 41 HA PRO 41 14.603 -1.256 13.558 280 1HB PRO 41 2HB PRO 41 16.265 1.192 14.074 281 2HB PRO 41 1HB PRO 41 16.660 -0.507 14.362 282 1HG PRO 41 2HG PRO 41 17.531 0.830 12.180 283 2HG PRO 41 1HG PRO 41 17.169 -0.904 12.157 284 1HD PRO 41 2HD PRO 41 15.756 1.290 10.844 285 2HD PRO 41 1HD PRO 41 15.580 -0.459 10.602 286 H GLY 42 H GLY 42 12.517 -1.011 14.442 287 1HA GLY 42 2HA GLY 42 11.359 -0.467 16.429 288 2HA GLY 42 1HA GLY 42 12.367 0.966 16.596 289 H LYS 43 H LYS 43 11.835 2.841 15.491 290 HA LYS 43 HA LYS 43 10.307 4.433 14.881 291 1HB LYS 43 2HB LYS 43 11.125 2.916 12.768 292 2HB LYS 43 1HB LYS 43 9.377 2.818 12.606 293 1HG LYS 43 2HG LYS 43 9.283 4.863 11.760 294 2HG LYS 43 1HG LYS 43 10.175 5.527 13.129 295 1HD LYS 43 2HD LYS 43 12.235 5.243 12.082 296 2HD LYS 43 1HD LYS 43 11.599 4.053 10.945 297 1HE LYS 43 2HE LYS 43 10.367 5.768 9.776 298 2HE LYS 43 1HE LYS 43 10.846 6.973 10.969 299 1HZ LYS 43 1HZ LYS 43 13.222 6.298 10.256 300 2HZ LYS 43 2HZ LYS 43 12.328 7.339 9.268 301 3HZ LYS 43 3HZ LYS 43 12.464 5.703 8.865 302 H GLY 44 H GLY 44 7.949 4.059 13.272 303 1HA GLY 44 2HA GLY 44 6.130 2.482 14.924 304 2HA GLY 44 1HA GLY 44 5.873 4.223 14.901 305 H LEU 45 H LEU 45 7.076 2.476 12.151 306 HA LEU 45 HA LEU 45 6.260 2.039 10.087 307 1HB LEU 45 2HB LEU 45 4.356 1.043 11.642 308 2HB LEU 45 1HB LEU 45 3.431 2.359 10.948 309 HG LEU 45 HG LEU 45 3.501 1.450 8.796 310 1HD1 LEU 45 1HD1 LEU 45 5.954 1.038 8.802 311 2HD1 LEU 45 2HD1 LEU 45 5.011 -0.236 8.030 312 3HD1 LEU 45 3HD1 LEU 45 5.651 -0.475 9.655 313 1HD2 LEU 45 1HD2 LEU 45 3.342 -0.790 10.798 314 2HD2 LEU 45 2HD2 LEU 45 2.916 -0.971 9.096 315 3HD2 LEU 45 3HD2 LEU 45 2.017 0.152 10.117 316 H GLU 46 H GLU 46 5.742 3.165 8.277 317 HA GLU 46 HA GLU 46 4.440 5.767 8.545 318 1HB GLU 46 2HB GLU 46 6.691 6.466 8.721 319 2HB GLU 46 1HB GLU 46 7.232 5.304 7.519 320 1HG GLU 46 2HG GLU 46 7.299 7.202 6.275 321 2HG GLU 46 1HG GLU 46 5.641 6.689 5.942 322 H TRP 47 H TRP 47 3.153 6.236 6.853 323 HA TRP 47 HA TRP 47 2.850 4.254 4.794 324 1HB TRP 47 2HB TRP 47 0.786 5.169 5.403 325 2HB TRP 47 1HB TRP 47 1.428 6.812 5.479 326 HD1 TRP 47 HD TRP 47 0.689 4.120 2.794 327 HE1 TRP 47 1HE TRP 47 0.022 5.319 0.630 328 HE3 TRP 47 3HE TRP 47 1.313 8.948 4.327 329 HZ2 TRP 47 2HZ TRP 47 -0.217 7.983 -0.310 330 HZ3 TRP 47 3HZ TRP 47 0.856 10.765 2.737 331 HH2 TRP 47 HH TRP 47 0.104 10.290 0.464 332 H VAL 48 H VAL 48 4.303 4.183 3.206 333 HA VAL 48 HA VAL 48 5.745 6.527 2.367 334 HB VAL 48 HB VAL 48 5.828 3.639 1.564 335 1HG1 VAL 48 1HG1 VAL 48 6.853 4.009 -0.379 336 2HG1 VAL 48 2HG1 VAL 48 7.920 5.216 0.340 337 3HG1 VAL 48 3HG1 VAL 48 6.325 5.688 -0.245 338 1HG2 VAL 48 1HG2 VAL 48 7.361 5.437 3.268 339 2HG2 VAL 48 2HG2 VAL 48 8.364 4.492 2.167 340 3HG2 VAL 48 3HG2 VAL 48 7.261 3.677 3.276 341 H SER 49 H SER 49 3.551 4.236 0.691 342 HA SER 49 HA SER 49 2.725 6.479 -1.022 343 1HB SER 49 2HB SER 49 3.239 3.863 -2.365 344 2HB SER 49 1HB SER 49 3.277 5.497 -3.032 345 HG SER 49 HG SER 49 5.253 4.057 -1.733 346 H THR 50 H THR 50 0.734 6.233 -2.107 347 HA THR 50 HA THR 50 -0.912 3.927 -1.373 348 HB THR 50 HB THR 50 -1.205 6.397 -0.077 349 HG1 THR 50 1HG THR 50 -2.046 4.790 1.032 350 1HG2 THR 50 1HG2 THR 50 -2.352 7.436 -1.877 351 2HG2 THR 50 2HG2 THR 50 -3.568 6.979 -0.683 352 3HG2 THR 50 3HG2 THR 50 -3.356 6.010 -2.144 353 H ILE 51 H ILE 51 -2.226 3.249 -2.979 354 HA ILE 51 HA ILE 51 -2.348 4.939 -5.393 355 HB ILE 51 HB ILE 51 -1.063 2.861 -5.696 356 1HG1 ILE 51 2HG1 ILE 51 -3.309 2.126 -7.371 357 2HG1 ILE 51 1HG1 ILE 51 -3.108 3.876 -7.317 358 1HG2 ILE 51 1HG2 ILE 51 -1.994 1.318 -4.213 359 2HG2 ILE 51 2HG2 ILE 51 -2.467 0.720 -5.804 360 3HG2 ILE 51 3HG2 ILE 51 -3.631 1.595 -4.808 361 1HD1 ILE 51 1HD1 ILE 51 -0.557 3.119 -7.699 362 2HD1 ILE 51 2HD1 ILE 51 -1.685 3.488 -9.003 363 3HD1 ILE 51 3HD1 ILE 51 -1.406 1.813 -8.526 364 H ASN 52 H ASN 52 -4.271 5.226 -6.450 365 HA ASN 52 HA ASN 52 -6.668 4.329 -5.000 366 1HB ASN 52 2HB ASN 52 -6.735 6.664 -5.009 367 2HB ASN 52 1HB ASN 52 -6.061 6.776 -6.631 368 1HD2 ASN 52 1HD2 ASN 52 -8.921 6.192 -4.746 369 2HD2 ASN 52 2HD2 ASN 52 -10.054 6.370 -6.039 370 HA PRO 53 HA PRO 53 -7.589 1.849 -8.579 371 1HB PRO 53 2HB PRO 53 -10.036 1.000 -7.866 372 2HB PRO 53 1HB PRO 53 -8.579 0.434 -7.042 373 1HG PRO 53 2HG PRO 53 -10.539 2.529 -6.195 374 2HG PRO 53 1HG PRO 53 -9.771 1.260 -5.226 375 1HD PRO 53 2HD PRO 53 -8.921 3.863 -5.274 376 2HD PRO 53 1HD PRO 53 -7.862 2.486 -4.913 377 H GLY 54 H GLY 54 -8.455 2.246 -10.539 378 1HA GLY 54 2HA GLY 54 -10.324 2.924 -11.914 379 2HA GLY 54 1HA GLY 54 -10.709 4.139 -10.705 380 H ASP 55 H ASP 55 -9.822 6.133 -10.851 381 HA ASP 55 HA ASP 55 -8.815 7.026 -13.295 382 1HB ASP 55 2HB ASP 55 -9.430 8.168 -10.712 383 2HB ASP 55 1HB ASP 55 -7.959 8.879 -11.371 384 H GLY 56 H GLY 56 -7.024 6.920 -10.201 385 1HA GLY 56 2HA GLY 56 -4.855 5.602 -10.428 386 2HA GLY 56 1HA GLY 56 -4.548 6.679 -11.782 387 H SER 57 H SER 57 -6.206 8.323 -9.375 388 HA SER 57 HA SER 57 -4.226 10.169 -8.844 389 1HB SER 57 2HB SER 57 -6.654 9.325 -7.273 390 2HB SER 57 1HB SER 57 -5.585 10.600 -6.690 391 HG SER 57 HG SER 57 -7.275 11.477 -7.915 392 H THR 58 H THR 58 -2.286 9.851 -7.989 393 HA THR 58 HA THR 58 -1.989 7.805 -5.900 394 HB THR 58 HB THR 58 0.566 8.606 -6.716 395 HG1 THR 58 1HG THR 58 0.389 8.271 -9.011 396 1HG2 THR 58 1HG2 THR 58 -1.070 6.206 -7.545 397 2HG2 THR 58 2HG2 THR 58 -0.114 6.350 -6.068 398 3HG2 THR 58 3HG2 THR 58 0.688 6.340 -7.638 399 H TYR 59 H TYR 59 -0.928 8.221 -4.011 400 HA TYR 59 HA TYR 59 -0.091 10.981 -3.470 401 1HB TYR 59 2HB TYR 59 -1.664 9.378 -1.455 402 2HB TYR 59 1HB TYR 59 -1.288 11.097 -1.425 403 HD1 TYR 59 1HD TYR 59 -3.451 8.515 -2.872 404 HD2 TYR 59 2HD TYR 59 -2.594 12.678 -2.709 405 HE1 TYR 59 1HE TYR 59 -5.615 8.996 -3.939 406 HE2 TYR 59 2HE TYR 59 -4.755 13.174 -3.773 407 HH TYR 59 HH TYR 59 -7.070 10.595 -4.515 408 H TYR 60 H TYR 60 1.676 11.161 -2.122 409 HA TYR 60 HA TYR 60 2.760 8.649 -1.035 410 1HB TYR 60 2HB TYR 60 4.227 10.786 -2.583 411 2HB TYR 60 1HB TYR 60 5.050 9.575 -1.609 412 HD1 TYR 60 1HD TYR 60 2.463 9.750 -4.312 413 HD2 TYR 60 2HD TYR 60 5.800 7.678 -2.678 414 HE1 TYR 60 1HE TYR 60 2.430 8.203 -6.223 415 HE2 TYR 60 2HE TYR 60 5.773 6.126 -4.583 416 HH TYR 60 HH TYR 60 3.364 6.434 -7.177 417 H ALA 61 H ALA 61 4.642 9.159 0.514 418 HA ALA 61 HA ALA 61 3.606 10.855 2.577 419 1HB ALA 61 1HB ALA 61 5.270 8.623 2.482 420 2HB ALA 61 2HB ALA 61 4.805 9.540 3.915 421 3HB ALA 61 3HB ALA 61 6.299 9.932 3.066 422 H ASP 62 H ASP 62 4.778 11.909 -0.072 423 HA ASP 62 HA ASP 62 5.667 13.893 -0.724 424 1HB ASP 62 2HB ASP 62 4.966 14.457 1.849 425 2HB ASP 62 1HB ASP 62 6.702 14.754 1.895 426 H SER 63 H SER 63 7.660 12.575 1.932 427 HA SER 63 HA SER 63 10.092 13.256 0.557 428 1HB SER 63 2HB SER 63 9.619 13.086 3.135 429 2HB SER 63 1HB SER 63 10.022 11.386 2.895 430 HG SER 63 HG SER 63 11.967 12.206 3.227 431 H VAL 64 H VAL 64 8.051 11.179 -0.476 432 HA VAL 64 HA VAL 64 10.088 9.271 -1.329 433 HB VAL 64 HB VAL 64 8.392 7.391 -1.023 434 1HG1 VAL 64 1HG1 VAL 64 8.928 7.364 1.555 435 2HG1 VAL 64 2HG1 VAL 64 9.965 8.723 1.121 436 3HG1 VAL 64 3HG1 VAL 64 10.204 7.152 0.355 437 1HG2 VAL 64 1HG2 VAL 64 7.152 8.403 1.299 438 2HG2 VAL 64 2HG2 VAL 64 6.394 7.891 -0.209 439 3HG2 VAL 64 3HG2 VAL 64 6.876 9.574 0.010 440 H LYS 65 H LYS 65 7.741 11.381 -2.140 441 HA LYS 65 HA LYS 65 6.169 10.106 -4.055 442 1HB LYS 65 2HB LYS 65 5.855 12.447 -3.230 443 2HB LYS 65 1HB LYS 65 7.220 12.936 -4.225 444 1HG LYS 65 2HG LYS 65 5.546 13.452 -5.657 445 2HG LYS 65 1HG LYS 65 5.767 11.762 -6.112 446 1HD LYS 65 2HD LYS 65 3.716 11.220 -5.418 447 2HD LYS 65 1HD LYS 65 3.954 12.039 -3.872 448 1HE LYS 65 2HE LYS 65 2.288 13.347 -4.690 449 2HE LYS 65 1HE LYS 65 3.658 14.186 -5.418 450 1HZ LYS 65 1HZ LYS 65 1.554 12.672 -6.673 451 2HZ LYS 65 2HZ LYS 65 3.097 12.274 -7.239 452 3HZ LYS 65 3HZ LYS 65 2.555 13.875 -7.319 453 H GLY 66 H GLY 66 9.386 11.536 -4.329 454 1HA GLY 66 2HA GLY 66 9.594 10.460 -7.068 455 2HA GLY 66 1HA GLY 66 10.583 11.760 -6.416 456 H ARG 67 H ARG 67 9.942 9.085 -4.377 457 HA ARG 67 HA ARG 67 12.707 8.147 -4.751 458 1HB ARG 67 2HB ARG 67 12.166 9.182 -2.550 459 2HB ARG 67 1HB ARG 67 10.969 7.920 -2.290 460 1HG ARG 67 2HG ARG 67 12.576 6.753 -1.310 461 2HG ARG 67 1HG ARG 67 13.287 6.539 -2.912 462 1HD ARG 67 2HD ARG 67 14.981 7.394 -1.464 463 2HD ARG 67 1HD ARG 67 14.512 8.681 -2.576 464 HE ARG 67 HE ARG 67 13.810 9.905 -0.783 465 1HH1 ARG 67 1HH1 ARG 67 14.016 6.562 0.166 466 2HH1 ARG 67 2HH1 ARG 67 13.664 6.879 1.832 467 1HH2 ARG 67 1HH2 ARG 67 13.344 10.335 1.406 468 2HH2 ARG 67 2HH2 ARG 67 13.282 9.025 2.538 469 H PHE 68 H PHE 68 9.622 6.883 -3.486 470 HA PHE 68 HA PHE 68 10.289 4.279 -4.669 471 1HB PHE 68 2HB PHE 68 8.352 5.037 -2.476 472 2HB PHE 68 1HB PHE 68 8.503 3.411 -3.132 473 HD1 PHE 68 1HD PHE 68 9.609 5.657 -0.653 474 HD2 PHE 68 2HD PHE 68 10.887 2.365 -3.030 475 HE1 PHE 68 1HE PHE 68 11.398 5.183 0.970 476 HE2 PHE 68 2HE PHE 68 12.678 1.891 -1.410 477 HZ PHE 68 HZ PHE 68 12.932 3.299 0.591 478 H THR 69 H THR 69 8.617 3.061 -5.722 479 HA THR 69 HA THR 69 6.500 4.745 -6.905 480 HB THR 69 HB THR 69 8.148 2.585 -8.234 481 HG1 THR 69 1HG THR 69 7.802 5.375 -8.686 482 1HG2 THR 69 1HG2 THR 69 5.616 3.939 -9.150 483 2HG2 THR 69 2HG2 THR 69 5.942 2.211 -9.021 484 3HG2 THR 69 3HG2 THR 69 6.743 3.169 -10.266 485 H ILE 70 H ILE 70 4.560 4.110 -6.310 486 HA ILE 70 HA ILE 70 4.149 1.346 -5.442 487 HB ILE 70 HB ILE 70 3.525 3.134 -3.875 488 1HG1 ILE 70 2HG1 ILE 70 1.489 1.236 -4.959 489 2HG1 ILE 70 1HG1 ILE 70 2.279 1.262 -3.387 490 1HG2 ILE 70 1HG2 ILE 70 2.904 4.762 -5.692 491 2HG2 ILE 70 2HG2 ILE 70 1.820 4.715 -4.302 492 3HG2 ILE 70 3HG2 ILE 70 1.358 3.920 -5.806 493 1HD1 ILE 70 1HD1 ILE 70 0.205 3.267 -4.204 494 2HD1 ILE 70 2HD1 ILE 70 0.846 2.958 -2.590 495 3HD1 ILE 70 3HD1 ILE 70 -0.172 1.754 -3.381 496 H SER 71 H SER 71 3.282 -0.025 -6.801 497 HA SER 71 HA SER 71 1.121 0.812 -8.575 498 1HB SER 71 2HB SER 71 3.772 -0.283 -9.444 499 2HB SER 71 1HB SER 71 2.325 -0.700 -10.364 500 HG SER 71 HG SER 71 1.980 1.467 -10.763 501 H ARG 72 H ARG 72 0.053 -1.114 -9.595 502 HA ARG 72 HA ARG 72 0.488 -3.689 -8.395 503 1HB ARG 72 2HB ARG 72 -2.033 -3.598 -7.565 504 2HB ARG 72 1HB ARG 72 -0.698 -3.109 -6.531 505 1HG ARG 72 2HG ARG 72 -1.664 -1.138 -6.273 506 2HG ARG 72 1HG ARG 72 -1.449 -0.829 -7.997 507 1HD ARG 72 2HD ARG 72 -3.703 -2.583 -7.395 508 2HD ARG 72 1HD ARG 72 -3.852 -0.979 -6.681 509 HE ARG 72 HE ARG 72 -3.398 -1.431 -9.560 510 1HH1 ARG 72 1HH1 ARG 72 -4.943 0.249 -6.928 511 2HH1 ARG 72 2HH1 ARG 72 -5.820 1.327 -7.961 512 1HH2 ARG 72 1HH2 ARG 72 -4.547 -0.019 -10.928 513 2HH2 ARG 72 2HH2 ARG 72 -5.595 1.174 -10.236 514 H ASP 73 H ASP 73 -1.334 -5.235 -9.037 515 HA ASP 73 HA ASP 73 -2.046 -4.659 -11.824 516 1HB ASP 73 2HB ASP 73 -0.722 -6.769 -10.990 517 2HB ASP 73 1HB ASP 73 -2.325 -7.368 -10.577 518 H ASN 74 H ASN 74 -4.123 -4.728 -12.563 519 HA ASN 74 HA ASN 74 -6.208 -4.410 -10.614 520 1HB ASN 74 2HB ASN 74 -6.303 -4.474 -13.638 521 2HB ASN 74 1HB ASN 74 -7.667 -4.066 -12.602 522 1HD2 ASN 74 1HD2 ASN 74 -7.729 -2.042 -13.697 523 2HD2 ASN 74 2HD2 ASN 74 -6.638 -0.776 -13.260 524 H ALA 75 H ALA 75 -4.758 -7.098 -11.689 525 HA ALA 75 HA ALA 75 -6.937 -8.789 -10.910 526 1HB ALA 75 1HB ALA 75 -7.029 -8.123 -13.530 527 2HB ALA 75 2HB ALA 75 -7.635 -9.643 -12.872 528 3HB ALA 75 3HB ALA 75 -6.029 -9.574 -13.594 529 H LYS 76 H LYS 76 -5.001 -8.985 -9.425 530 HA LYS 76 HA LYS 76 -3.703 -11.463 -9.937 531 1HB LYS 76 2HB LYS 76 -2.340 -9.652 -11.220 532 2HB LYS 76 1HB LYS 76 -1.768 -9.192 -9.623 533 1HG LYS 76 2HG LYS 76 -1.218 -11.732 -9.400 534 2HG LYS 76 1HG LYS 76 -1.275 -11.695 -11.163 535 1HD LYS 76 2HD LYS 76 0.531 -10.246 -11.318 536 2HD LYS 76 1HD LYS 76 0.333 -9.664 -9.663 537 1HE LYS 76 2HE LYS 76 1.305 -12.397 -10.492 538 2HE LYS 76 1HE LYS 76 2.298 -11.090 -9.850 539 1HZ LYS 76 1HZ LYS 76 0.332 -11.398 -7.990 540 2HZ LYS 76 2HZ LYS 76 1.909 -11.995 -7.872 541 3HZ LYS 76 3HZ LYS 76 0.673 -12.989 -8.458 542 H ASN 77 H ASN 77 -4.525 -8.804 -7.995 543 HA ASN 77 HA ASN 77 -4.553 -8.431 -5.756 544 1HB ASN 77 2HB ASN 77 -4.948 -11.263 -6.118 545 2HB ASN 77 1HB ASN 77 -4.072 -10.964 -4.619 546 1HD2 ASN 77 1HD2 ASN 77 -5.051 -8.830 -3.532 547 2HD2 ASN 77 2HD2 ASN 77 -6.757 -8.926 -3.279 548 H THR 78 H THR 78 -2.369 -7.440 -6.372 549 HA THR 78 HA THR 78 -0.473 -8.237 -4.358 550 HB THR 78 HB THR 78 1.177 -8.005 -6.638 551 HG1 THR 78 1HG THR 78 -0.378 -8.699 -8.029 552 1HG2 THR 78 1HG2 THR 78 0.948 -10.718 -5.781 553 2HG2 THR 78 2HG2 THR 78 0.834 -9.664 -4.372 554 3HG2 THR 78 3HG2 THR 78 2.231 -9.557 -5.442 555 H LEU 79 H LEU 79 1.044 -6.648 -3.870 556 HA LEU 79 HA LEU 79 0.689 -4.069 -5.256 557 1HB LEU 79 2HB LEU 79 -0.306 -4.267 -2.916 558 2HB LEU 79 1HB LEU 79 1.340 -4.386 -2.331 559 HG LEU 79 HG LEU 79 1.843 -2.156 -3.101 560 1HD1 LEU 79 1HD1 LEU 79 -0.988 -1.880 -4.064 561 2HD1 LEU 79 2HD1 LEU 79 0.347 -2.312 -5.132 562 3HD1 LEU 79 3HD1 LEU 79 0.360 -0.763 -4.285 563 1HD2 LEU 79 1HD2 LEU 79 1.022 -1.439 -1.173 564 2HD2 LEU 79 2HD2 LEU 79 -0.130 -2.774 -1.151 565 3HD2 LEU 79 3HD2 LEU 79 -0.563 -1.248 -1.923 566 H TYR 80 H TYR 80 2.487 -3.571 -6.324 567 HA TYR 80 HA TYR 80 5.068 -4.491 -5.265 568 1HB TYR 80 2HB TYR 80 4.315 -3.561 -8.041 569 2HB TYR 80 1HB TYR 80 5.925 -4.075 -7.551 570 HD1 TYR 80 1HD TYR 80 6.538 -6.307 -7.770 571 HD2 TYR 80 2HD TYR 80 2.408 -5.290 -7.734 572 HE1 TYR 80 1HE TYR 80 5.968 -8.631 -8.326 573 HE2 TYR 80 2HE TYR 80 1.824 -7.610 -8.286 574 HH TYR 80 HH TYR 80 3.444 -10.072 -7.844 575 H LEU 81 H LEU 81 6.903 -3.079 -5.382 576 HA LEU 81 HA LEU 81 6.409 -0.242 -5.717 577 1HB LEU 81 2HB LEU 81 5.862 -0.641 -3.353 578 2HB LEU 81 1HB LEU 81 7.441 -1.362 -3.108 579 HG LEU 81 HG LEU 81 8.301 0.981 -3.967 580 1HD1 LEU 81 1HD1 LEU 81 5.478 1.407 -3.731 581 2HD1 LEU 81 2HD1 LEU 81 6.736 2.515 -4.281 582 3HD1 LEU 81 3HD1 LEU 81 6.338 2.414 -2.565 583 1HD2 LEU 81 1HD2 LEU 81 7.364 0.147 -1.269 584 2HD2 LEU 81 2HD2 LEU 81 7.967 1.787 -1.509 585 3HD2 LEU 81 3HD2 LEU 81 9.004 0.405 -1.865 586 H GLN 82 H GLN 82 8.200 0.873 -6.355 587 HA GLN 82 HA GLN 82 10.619 -0.737 -6.772 588 1HB GLN 82 2HB GLN 82 9.163 0.818 -8.541 589 2HB GLN 82 1HB GLN 82 10.528 1.846 -8.128 590 1HG GLN 82 2HG GLN 82 10.988 0.522 -10.110 591 2HG GLN 82 1HG GLN 82 12.073 0.088 -8.790 592 1HE2 GLN 82 1HE2 GLN 82 12.510 -1.930 -9.661 593 2HE2 GLN 82 2HE2 GLN 82 11.354 -3.213 -9.650 594 H MET 83 H MET 83 12.243 -0.396 -5.463 595 HA MET 83 HA MET 83 12.393 2.078 -3.928 596 1HB MET 83 2HB MET 83 14.173 -0.324 -3.595 597 2HB MET 83 1HB MET 83 13.781 0.916 -2.413 598 1HG MET 83 2HG MET 83 11.390 0.063 -2.549 599 2HG MET 83 1HG MET 83 12.056 -1.329 -3.403 600 1HE MET 83 1HE MET 83 10.357 -1.621 -0.694 601 2HE MET 83 2HE MET 83 10.911 -0.027 -0.181 602 3HE MET 83 3HE MET 83 11.269 -1.444 0.804 603 H ASN 84 H ASN 84 13.220 3.543 -5.392 604 HA ASN 84 HA ASN 84 15.954 2.996 -6.351 605 1HB ASN 84 2HB ASN 84 14.910 5.179 -7.794 606 2HB ASN 84 1HB ASN 84 15.231 3.556 -8.393 607 1HD2 ASN 84 1HD2 ASN 84 13.495 1.967 -8.106 608 2HD2 ASN 84 2HD2 ASN 84 11.859 2.506 -8.239 609 H SER 85 H SER 85 17.337 4.944 -6.557 610 HA SER 85 HA SER 85 18.447 6.663 -5.559 611 1HB SER 85 2HB SER 85 15.717 7.542 -5.960 612 2HB SER 85 1HB SER 85 16.430 8.329 -4.552 613 HG SER 85 HG SER 85 18.270 8.764 -6.012 614 H LEU 86 H LEU 86 18.518 4.612 -3.942 615 HA LEU 86 HA LEU 86 17.314 4.926 -1.405 616 1HB LEU 86 2HB LEU 86 19.831 3.442 -2.164 617 2HB LEU 86 1HB LEU 86 18.979 3.272 -0.642 618 HG LEU 86 HG LEU 86 18.278 1.410 -1.827 619 1HD1 LEU 86 1HD1 LEU 86 16.047 2.891 -2.963 620 2HD1 LEU 86 2HD1 LEU 86 16.404 3.348 -1.298 621 3HD1 LEU 86 3HD1 LEU 86 16.069 1.663 -1.697 622 1HD2 LEU 86 1HD2 LEU 86 19.038 1.458 -3.952 623 2HD2 LEU 86 2HD2 LEU 86 18.614 3.155 -4.184 624 3HD2 LEU 86 3HD2 LEU 86 17.368 1.912 -4.294 625 H LYS 87 H LYS 87 18.460 5.350 0.629 626 HA LYS 87 HA LYS 87 20.915 6.831 0.594 627 1HB LYS 87 2HB LYS 87 19.943 8.932 1.505 628 2HB LYS 87 1HB LYS 87 19.479 8.618 -0.162 629 1HG LYS 87 2HG LYS 87 17.459 7.433 1.280 630 2HG LYS 87 1HG LYS 87 17.833 8.882 2.216 631 1HD LYS 87 2HD LYS 87 17.784 9.493 -0.594 632 2HD LYS 87 1HD LYS 87 16.281 8.701 -0.114 633 1HE LYS 87 2HE LYS 87 15.642 10.754 0.521 634 2HE LYS 87 1HE LYS 87 16.656 10.459 1.933 635 1HZ LYS 87 1HZ LYS 87 18.275 11.837 1.175 636 2HZ LYS 87 2HZ LYS 87 16.949 12.590 0.441 637 3HZ LYS 87 3HZ LYS 87 17.936 11.552 -0.460 638 H SER 88 H SER 88 20.263 4.530 1.900 639 HA SER 88 HA SER 88 20.358 3.513 3.929 640 1HB SER 88 2HB SER 88 21.051 6.246 5.027 641 2HB SER 88 1HB SER 88 21.395 4.684 5.771 642 HG SER 88 HG SER 88 23.235 4.962 4.762 643 H GLU 89 H GLU 89 17.992 5.379 3.011 644 HA GLU 89 HA GLU 89 16.585 5.528 5.577 645 1HB GLU 89 2HB GLU 89 16.421 7.570 4.381 646 2HB GLU 89 1HB GLU 89 16.063 6.745 2.870 647 1HG GLU 89 2HG GLU 89 14.012 7.594 3.490 648 2HG GLU 89 1HG GLU 89 13.937 5.931 4.074 649 H ASP 90 H ASP 90 16.344 4.149 2.340 650 HA ASP 90 HA ASP 90 13.856 2.901 2.580 651 1HB ASP 90 2HB ASP 90 14.896 3.060 0.424 652 2HB ASP 90 1HB ASP 90 16.310 2.168 0.975 653 H THR 91 H THR 91 16.925 2.130 3.951 654 HA THR 91 HA THR 91 16.660 -0.622 4.390 655 HB THR 91 HB THR 91 18.078 1.392 6.148 656 HG1 THR 91 1HG THR 91 19.517 1.453 4.603 657 1HG2 THR 91 1HG2 THR 91 19.532 -0.655 6.614 658 2HG2 THR 91 2HG2 THR 91 18.211 -1.607 5.937 659 3HG2 THR 91 3HG2 THR 91 17.941 -0.618 7.373 660 H ALA 92 H ALA 92 14.667 -1.252 5.101 661 HA ALA 92 HA ALA 92 14.162 -1.231 7.873 662 1HB ALA 92 1HB ALA 92 13.363 0.930 7.864 663 2HB ALA 92 2HB ALA 92 11.882 0.015 7.579 664 3HB ALA 92 3HB ALA 92 12.710 0.796 6.231 665 H VAL 93 H VAL 93 11.393 -1.586 7.887 666 HA VAL 93 HA VAL 93 11.109 -3.955 6.152 667 HB VAL 93 HB VAL 93 9.609 -3.513 8.732 668 1HG1 VAL 93 1HG1 VAL 93 8.494 -5.134 7.500 669 2HG1 VAL 93 2HG1 VAL 93 9.578 -6.097 8.505 670 3HG1 VAL 93 3HG1 VAL 93 9.985 -5.784 6.816 671 1HG2 VAL 93 1HG2 VAL 93 11.822 -3.593 9.490 672 2HG2 VAL 93 2HG2 VAL 93 12.297 -4.767 8.262 673 3HG2 VAL 93 3HG2 VAL 93 11.273 -5.265 9.608 674 H TYR 94 H TYR 94 9.540 -3.906 4.673 675 HA TYR 94 HA TYR 94 7.549 -1.756 4.901 676 1HB TYR 94 2HB TYR 94 8.675 -3.188 2.499 677 2HB TYR 94 1HB TYR 94 7.277 -2.121 2.407 678 HD1 TYR 94 1HD TYR 94 10.752 -2.082 3.794 679 HD2 TYR 94 2HD TYR 94 7.676 0.067 1.789 680 HE1 TYR 94 1HE TYR 94 12.253 -0.147 3.578 681 HE2 TYR 94 2HE TYR 94 9.171 2.010 1.567 682 HH TYR 94 HH TYR 94 12.159 2.224 3.245 683 H TYR 95 H TYR 95 5.397 -2.096 4.501 684 HA TYR 95 HA TYR 95 4.453 -4.847 4.163 685 1HB TYR 95 2HB TYR 95 3.047 -3.123 6.164 686 2HB TYR 95 1HB TYR 95 3.107 -4.876 6.050 687 HD1 TYR 95 1HD TYR 95 4.997 -1.880 7.112 688 HD2 TYR 95 2HD TYR 95 4.737 -6.125 7.236 689 HE1 TYR 95 1HE TYR 95 6.705 -1.928 8.879 690 HE2 TYR 95 2HE TYR 95 6.443 -6.183 9.004 691 HH TYR 95 HH TYR 95 7.802 -4.995 10.293 692 H CYS 96 H CYS 96 2.075 -4.875 3.683 693 HA CYS 96 HA CYS 96 1.257 -2.412 2.302 694 1HB CYS 96 2HB CYS 96 0.400 -3.635 0.487 695 2HB CYS 96 1HB CYS 96 1.940 -4.414 0.829 696 H ALA 97 H ALA 97 -0.810 -1.730 2.632 697 HA ALA 97 HA ALA 97 -2.705 -3.461 4.005 698 1HB ALA 97 1HB ALA 97 -2.250 -2.674 6.025 699 2HB ALA 97 2HB ALA 97 -2.875 -1.116 5.487 700 3HB ALA 97 3HB ALA 97 -1.147 -1.460 5.375 701 H LYS 98 H LYS 98 -4.819 -2.402 4.323 702 HA LYS 98 HA LYS 98 -5.507 -0.891 1.936 703 1HB LYS 98 2HB LYS 98 -6.932 -2.739 2.388 704 2HB LYS 98 1HB LYS 98 -7.129 -2.267 4.069 705 1HG LYS 98 2HG LYS 98 -8.203 -0.124 3.053 706 2HG LYS 98 1HG LYS 98 -8.404 -1.138 1.623 707 1HD LYS 98 2HD LYS 98 -9.417 -1.749 4.400 708 2HD LYS 98 1HD LYS 98 -10.395 -1.218 3.030 709 1HE LYS 98 2HE LYS 98 -9.881 -3.248 1.827 710 2HE LYS 98 1HE LYS 98 -8.767 -3.756 3.098 711 1HZ LYS 98 1HZ LYS 98 -10.616 -4.913 3.695 712 2HZ LYS 98 2HZ LYS 98 -11.694 -3.768 3.074 713 3HZ LYS 98 3HZ LYS 98 -10.922 -3.487 4.552 714 H TYR 99 H TYR 99 -6.495 1.115 1.913 715 HA TYR 99 HA TYR 99 -5.930 2.797 4.213 716 1HB TYR 99 2HB TYR 99 -5.867 3.184 1.452 717 2HB TYR 99 1HB TYR 99 -7.255 4.122 1.990 718 HD1 TYR 99 1HD TYR 99 -6.934 6.261 2.841 719 HD2 TYR 99 2HD TYR 99 -3.645 3.565 2.742 720 HE1 TYR 99 1HE TYR 99 -5.434 8.075 3.550 721 HE2 TYR 99 2HE TYR 99 -2.135 5.371 3.453 722 HH TYR 99 HH TYR 99 -2.070 7.851 3.383 723 H SER 100 H SER 100 -7.405 3.544 5.613 724 HA SER 100 HA SER 100 -10.229 3.564 4.874 725 1HB SER 100 2HB SER 100 -9.034 1.942 7.103 726 2HB SER 100 1HB SER 100 -10.684 2.552 7.231 727 HG SER 100 HG SER 100 -11.286 1.029 5.930 728 H GLY 101 H GLY 101 -9.026 5.849 4.934 729 1HA GLY 101 2HA GLY 101 -10.181 7.682 6.331 730 2HA GLY 101 1HA GLY 101 -9.265 6.967 7.648 731 H GLY 102 H GLY 102 -6.961 7.125 7.623 732 1HA GLY 102 2HA GLY 102 -5.680 8.735 5.594 733 2HA GLY 102 1HA GLY 102 -5.876 9.558 7.135 734 H ALA 103 H ALA 103 -5.537 6.266 7.630 735 HA ALA 103 HA ALA 103 -2.616 6.348 7.738 736 1HB ALA 103 1HB ALA 103 -2.701 5.399 10.069 737 2HB ALA 103 2HB ALA 103 -4.402 5.863 10.111 738 3HB ALA 103 3HB ALA 103 -3.155 7.097 9.924 739 H LEU 104 H LEU 104 -1.637 4.236 8.002 740 HA LEU 104 HA LEU 104 -3.329 2.141 6.858 741 1HB LEU 104 2HB LEU 104 -0.471 2.824 6.730 742 2HB LEU 104 1HB LEU 104 -0.796 1.110 6.879 743 HG LEU 104 HG LEU 104 -1.261 2.935 4.595 744 1HD1 LEU 104 1HD1 LEU 104 0.016 0.418 5.169 745 2HD1 LEU 104 2HD1 LEU 104 0.216 1.493 3.786 746 3HD1 LEU 104 3HD1 LEU 104 -1.064 0.280 3.782 747 1HD2 LEU 104 1HD2 LEU 104 -3.543 2.403 4.991 748 2HD2 LEU 104 2HD2 LEU 104 -3.157 0.709 5.302 749 3HD2 LEU 104 3HD2 LEU 104 -2.985 1.370 3.676 750 H ASP 105 H ASP 105 -3.395 0.044 7.698 751 HA ASP 105 HA ASP 105 -2.939 -0.084 10.586 752 1HB ASP 105 2HB ASP 105 -4.932 -1.137 8.763 753 2HB ASP 105 1HB ASP 105 -4.249 -2.419 9.759 754 H ALA 106 H ALA 106 -2.014 -1.565 7.573 755 HA ALA 106 HA ALA 106 -0.356 -2.998 6.988 756 1HB ALA 106 1HB ALA 106 1.644 -2.874 8.106 757 2HB ALA 106 2HB ALA 106 0.878 -2.822 9.695 758 3HB ALA 106 3HB ALA 106 0.850 -1.398 8.654 759 H TRP 107 H TRP 107 -0.962 -5.023 6.690 760 HA TRP 107 HA TRP 107 -1.261 -6.758 9.047 761 1HB TRP 107 2HB TRP 107 -2.836 -7.159 6.510 762 2HB TRP 107 1HB TRP 107 -3.108 -7.891 8.087 763 HD1 TRP 107 HD TRP 107 -3.404 -5.506 9.985 764 HE1 TRP 107 1HE TRP 107 -5.307 -3.790 9.715 765 HE3 TRP 107 3HE TRP 107 -4.506 -6.305 5.072 766 HZ2 TRP 107 2HZ TRP 107 -7.048 -2.895 7.672 767 HZ3 TRP 107 3HZ TRP 107 -6.298 -4.983 4.028 768 HH2 TRP 107 HH TRP 107 -7.542 -3.317 5.301 769 H GLY 108 H GLY 108 0.639 -6.071 6.573 770 1HA GLY 108 2HA GLY 108 1.034 -8.578 5.292 771 2HA GLY 108 1HA GLY 108 2.145 -7.217 5.264 772 H GLN 109 H GLN 109 3.333 -9.556 5.306 773 HA GLN 109 HA GLN 109 3.766 -10.574 7.955 774 1HB GLN 109 2HB GLN 109 4.860 -11.154 5.239 775 2HB GLN 109 1HB GLN 109 5.764 -11.705 6.643 776 1HG GLN 109 2HG GLN 109 2.849 -12.311 6.367 777 2HG GLN 109 1HG GLN 109 4.062 -13.292 5.546 778 1HE2 GLN 109 1HE2 GLN 109 4.026 -15.138 6.655 779 2HE2 GLN 109 2HE2 GLN 109 4.287 -15.283 8.356 780 H GLY 110 H GLY 110 5.849 -8.852 5.616 781 1HA GLY 110 2HA GLY 110 6.991 -6.863 6.716 782 2HA GLY 110 1HA GLY 110 7.530 -8.042 7.902 783 H THR 111 H THR 111 8.026 -6.707 4.756 784 HA THR 111 HA THR 111 10.034 -8.675 4.036 785 HB THR 111 HB THR 111 8.766 -7.843 2.190 786 HG1 THR 111 1HG THR 111 11.053 -8.093 1.844 787 1HG2 THR 111 1HG2 THR 111 8.872 -5.370 3.598 788 2HG2 THR 111 2HG2 THR 111 7.924 -5.783 2.169 789 3HG2 THR 111 3HG2 THR 111 9.548 -5.122 1.988 790 H GLN 112 H GLN 112 12.076 -8.561 4.638 791 HA GLN 112 HA GLN 112 13.070 -6.207 5.989 792 1HB GLN 112 2HB GLN 112 13.616 -8.293 7.004 793 2HB GLN 112 1HB GLN 112 14.223 -8.949 5.490 794 1HG GLN 112 2HG GLN 112 16.128 -8.473 6.746 795 2HG GLN 112 1HG GLN 112 16.004 -7.140 5.599 796 1HE2 GLN 112 1HE2 GLN 112 16.181 -5.173 6.392 797 2HE2 GLN 112 2HE2 GLN 112 15.958 -4.718 8.043 798 H VAL 113 H VAL 113 13.593 -4.584 4.666 799 HA VAL 113 HA VAL 113 15.317 -5.152 2.346 800 HB VAL 113 HB VAL 113 13.612 -2.720 2.915 801 1HG1 VAL 113 1HG1 VAL 113 14.709 -3.112 0.223 802 2HG1 VAL 113 2HG1 VAL 113 15.909 -2.743 1.461 803 3HG1 VAL 113 3HG1 VAL 113 14.560 -1.642 1.186 804 1HG2 VAL 113 1HG2 VAL 113 13.217 -4.535 0.585 805 2HG2 VAL 113 2HG2 VAL 113 12.052 -3.519 1.435 806 3HG2 VAL 113 3HG2 VAL 113 12.605 -5.025 2.165 807 H THR 114 H THR 114 17.386 -4.471 2.383 808 HA THR 114 HA THR 114 18.126 -2.359 4.292 809 HB THR 114 HB THR 114 19.763 -4.868 3.929 810 HG1 THR 114 1HG THR 114 18.450 -5.761 5.313 811 1HG2 THR 114 1HG2 THR 114 21.206 -4.031 5.495 812 2HG2 THR 114 2HG2 THR 114 19.959 -3.069 6.289 813 3HG2 THR 114 3HG2 THR 114 20.666 -2.518 4.770 814 H VAL 115 H VAL 115 19.987 -1.174 3.795 815 HA VAL 115 HA VAL 115 21.027 -1.523 1.059 816 HB VAL 115 HB VAL 115 20.597 1.142 2.418 817 1HG1 VAL 115 1HG1 VAL 115 21.031 2.067 0.204 818 2HG1 VAL 115 2HG1 VAL 115 21.277 0.442 -0.436 819 3HG1 VAL 115 3HG1 VAL 115 22.395 1.096 0.761 820 1HG2 VAL 115 1HG2 VAL 115 18.746 1.441 0.779 821 2HG2 VAL 115 2HG2 VAL 115 18.428 0.204 1.995 822 3HG2 VAL 115 3HG2 VAL 115 18.899 -0.266 0.362 823 H SER 116 H SER 116 23.181 -1.654 0.918 824 HA SER 116 HA SER 116 24.850 -0.429 2.977 825 1HB SER 116 2HB SER 116 24.256 -3.088 3.179 826 2HB SER 116 1HB SER 116 25.739 -3.136 2.227 827 HG SER 116 HG SER 116 26.713 -2.850 4.059 828 H SER 117 H SER 117 27.296 -1.115 2.295 829 HA SER 117 HA SER 117 27.527 -0.657 -0.603 830 1HB SER 117 2HB SER 117 29.530 0.599 1.218 831 2HB SER 117 1HB SER 117 28.943 1.142 -0.354 832 HG SER 117 HG SER 117 27.384 1.164 2.016 833 H GLN 118 H GLN 118 29.253 -1.614 -1.632 834 HA GLN 118 HA GLN 118 30.798 -3.228 -2.037 835 1HB GLN 118 2HB GLN 118 31.712 -2.201 0.642 836 2HB GLN 118 1HB GLN 118 32.597 -3.451 -0.222 837 1HG GLN 118 2HG GLN 118 31.991 -0.699 -1.280 838 2HG GLN 118 1HG GLN 118 33.528 -1.215 -0.586 839 1HE2 GLN 118 1HE2 GLN 118 31.321 -1.605 -3.270 840 2HE2 GLN 118 2HE2 GLN 118 32.470 -2.283 -4.369 841 H SER 119 H SER 119 28.551 -4.428 -1.509 842 HA SER 119 HA SER 119 29.283 -6.639 0.290 843 1HB SER 119 2HB SER 119 27.430 -5.034 1.137 844 2HB SER 119 1HB SER 119 26.419 -5.797 -0.090 845 HG SER 119 HG SER 119 27.823 -7.176 1.956 846 H GLU 120 H GLU 120 29.982 -6.848 -2.268 847 HA GLU 120 HA GLU 120 27.860 -8.226 -3.725 848 1HB GLU 120 2HB GLU 120 30.458 -6.995 -4.428 849 2HB GLU 120 1HB GLU 120 30.016 -8.427 -5.347 850 1HG GLU 120 2HG GLU 120 27.773 -7.250 -5.730 851 2HG GLU 120 1HG GLU 120 28.603 -5.795 -5.180 852 H GLN 121 H GLN 121 29.677 -9.133 -1.303 853 HA GLN 121 HA GLN 121 31.082 -11.414 -2.222 854 1HB GLN 121 2HB GLN 121 30.588 -10.109 0.277 855 2HB GLN 121 1HB GLN 121 30.264 -11.827 0.464 856 1HG GLN 121 2HG GLN 121 32.424 -12.264 0.561 857 2HG GLN 121 1HG GLN 121 32.688 -11.490 -1.000 858 1HE2 GLN 121 1HE2 GLN 121 33.214 -11.328 2.325 859 2HE2 GLN 121 2HE2 GLN 121 33.901 -9.744 2.394 860 H LYS 122 H LYS 122 30.552 -13.629 -1.995 861 HA LYS 122 HA LYS 122 27.863 -14.411 -1.319 862 1HB LYS 122 2HB LYS 122 27.303 -15.360 -3.496 863 2HB LYS 122 1HB LYS 122 27.558 -13.625 -3.625 864 1HG LYS 122 2HG LYS 122 29.987 -14.321 -4.279 865 2HG LYS 122 1HG LYS 122 29.226 -15.868 -4.656 866 1HD LYS 122 2HD LYS 122 27.635 -13.746 -5.728 867 2HD LYS 122 1HD LYS 122 29.310 -13.537 -6.244 868 1HE LYS 122 2HE LYS 122 28.252 -14.889 -7.880 869 2HE LYS 122 1HE LYS 122 29.290 -15.953 -6.933 870 1HZ LYS 122 1HZ LYS 122 27.522 -17.205 -6.547 871 2HZ LYS 122 2HZ LYS 122 26.507 -16.115 -7.348 872 3HZ LYS 122 3HZ LYS 122 26.806 -15.931 -5.693 873 H LEU 123 H LEU 123 31.132 -15.025 -1.866 874 HA LEU 123 HA LEU 123 32.494 -16.789 -1.436 875 1HB LEU 123 2HB LEU 123 30.199 -17.170 0.270 876 2HB LEU 123 1HB LEU 123 30.848 -18.719 -0.232 877 HG LEU 123 HG LEU 123 31.793 -17.996 1.905 878 1HD1 LEU 123 1HD1 LEU 123 33.694 -18.080 -0.426 879 2HD1 LEU 123 2HD1 LEU 123 33.184 -19.416 0.607 880 3HD1 LEU 123 3HD1 LEU 123 34.212 -18.139 1.259 881 1HD2 LEU 123 1HD2 LEU 123 33.095 -16.043 2.161 882 2HD2 LEU 123 2HD2 LEU 123 31.618 -15.535 1.343 883 3HD2 LEU 123 3HD2 LEU 123 33.111 -15.733 0.426 884 H ILE 124 H ILE 124 33.140 -17.866 -3.170 885 HA ILE 124 HA ILE 124 31.347 -19.906 -4.296 886 HB ILE 124 HB ILE 124 31.183 -18.267 -5.946 887 1HG1 ILE 124 2HG1 ILE 124 32.700 -19.051 -7.834 888 2HG1 ILE 124 1HG1 ILE 124 33.452 -20.129 -6.661 889 1HG2 ILE 124 1HG2 ILE 124 32.768 -16.710 -6.554 890 2HG2 ILE 124 2HG2 ILE 124 34.117 -17.747 -6.096 891 3HG2 ILE 124 3HG2 ILE 124 33.147 -16.961 -4.851 892 1HD1 ILE 124 1HD1 ILE 124 30.905 -20.356 -8.062 893 2HD1 ILE 124 2HD1 ILE 124 30.806 -20.693 -6.334 894 3HD1 ILE 124 3HD1 ILE 124 31.929 -21.601 -7.347 895 H SER 125 H SER 125 34.713 -18.729 -4.533 896 HA SER 125 HA SER 125 36.704 -19.826 -4.631 897 1HB SER 125 2HB SER 125 35.644 -22.090 -3.008 898 2HB SER 125 1HB SER 125 37.141 -21.176 -2.823 899 HG SER 125 HG SER 125 34.730 -20.786 -1.650 900 H GLU 126 H GLU 126 35.072 -20.338 -6.819 901 HA GLU 126 HA GLU 126 36.246 -22.751 -7.801 902 1HB GLU 126 2HB GLU 126 33.705 -22.984 -6.572 903 2HB GLU 126 1HB GLU 126 33.447 -23.127 -8.305 904 1HG GLU 126 2HG GLU 126 35.293 -24.852 -8.304 905 2HG GLU 126 1HG GLU 126 35.188 -24.823 -6.544 906 H GLU 127 H GLU 127 35.652 -19.767 -8.302 907 HA GLU 127 HA GLU 127 35.450 -18.385 -10.092 908 1HB GLU 127 2HB GLU 127 37.090 -20.049 -11.041 909 2HB GLU 127 1HB GLU 127 35.726 -20.859 -11.799 910 1HG GLU 127 2HG GLU 127 35.624 -19.373 -13.450 911 2HG GLU 127 1HG GLU 127 35.783 -18.007 -12.348 912 H ASP 128 H ASP 128 33.496 -17.510 -10.260 913 HA ASP 128 HA ASP 128 31.115 -19.003 -10.649 914 1HB ASP 128 2HB ASP 128 30.061 -16.743 -10.938 915 2HB ASP 128 1HB ASP 128 30.991 -16.926 -9.455 916 H LEU 129 H LEU 129 33.348 -17.423 -12.807 917 HA LEU 129 HA LEU 129 33.463 -17.253 -15.074 918 1HB LEU 129 2HB LEU 129 31.676 -19.678 -14.874 919 2HB LEU 129 1HB LEU 129 32.398 -19.115 -16.369 920 HG LEU 129 HG LEU 129 34.136 -19.771 -14.018 921 1HD1 LEU 129 1HD1 LEU 129 34.328 -22.056 -14.784 922 2HD1 LEU 129 2HD1 LEU 129 33.148 -21.755 -16.060 923 3HD1 LEU 129 3HD1 LEU 129 32.651 -21.702 -14.369 924 1HD2 LEU 129 1HD2 LEU 129 34.773 -20.270 -16.887 925 2HD2 LEU 129 2HD2 LEU 129 35.845 -19.855 -15.549 926 3HD2 LEU 129 3HD2 LEU 129 34.818 -18.617 -16.271 927 H ASN 130 H ASN 130 31.211 -18.130 -16.877 928 HA ASN 130 HA ASN 130 29.056 -16.316 -16.207 929 1HB ASN 130 2HB ASN 130 31.058 -15.092 -17.436 930 2HB ASN 130 1HB ASN 130 30.323 -15.813 -18.865 931 1HD2 ASN 130 1HD2 ASN 130 28.258 -15.172 -19.492 932 2HD2 ASN 130 2HD2 ASN 130 27.537 -13.716 -18.905 933 H HIS 131 H HIS 131 30.446 -17.980 -19.045 934 HA HIS 131 HA HIS 131 28.250 -19.809 -19.196 935 1HB HIS 131 2HB HIS 131 27.633 -19.013 -21.566 936 2HB HIS 131 1HB HIS 131 27.001 -18.095 -20.204 937 HD1 HIS 131 1HD HIS 131 30.548 -17.483 -20.980 938 HD2 HIS 131 2HD HIS 131 26.860 -15.883 -22.030 939 HE1 HIS 131 1HE HIS 131 31.056 -15.253 -22.026 940 HE2 HIS 131 2HE HIS 131 28.803 -14.263 -22.566 941 H HIS 132 H HIS 132 31.181 -19.790 -19.118 942 HA HIS 132 HA HIS 132 31.988 -20.732 -21.744 943 1HB HIS 132 2HB HIS 132 33.322 -19.639 -19.471 944 2HB HIS 132 1HB HIS 132 33.996 -21.235 -19.785 945 HD1 HIS 132 1HD HIS 132 35.632 -21.422 -21.669 946 HD2 HIS 132 2HD HIS 132 33.523 -17.843 -21.749 947 HE1 HIS 132 1HE HIS 132 36.713 -20.045 -23.474 948 HE2 HIS 132 2HE HIS 132 35.419 -17.884 -23.508 949 H HIS 133 H HIS 133 30.152 -22.093 -19.560 950 HA HIS 133 HA HIS 133 30.861 -24.768 -20.316 951 1HB HIS 133 2HB HIS 133 31.825 -23.715 -17.807 952 2HB HIS 133 1HB HIS 133 30.707 -25.045 -17.523 953 HD1 HIS 133 1HD HIS 133 31.960 -26.115 -20.527 954 HD2 HIS 133 2HD HIS 133 33.724 -25.708 -16.787 955 HE1 HIS 133 1HE HIS 133 33.955 -27.645 -20.555 956 HE2 HIS 133 2HE HIS 133 34.962 -27.441 -18.255 957 H HIS 134 H HIS 134 29.090 -26.028 -20.370 958 HA HIS 134 HA HIS 134 26.734 -25.198 -18.820 959 1HB HIS 134 2HB HIS 134 25.810 -26.313 -21.256 960 2HB HIS 134 1HB HIS 134 25.612 -24.663 -20.677 961 HD1 HIS 134 1HD HIS 134 26.926 -22.856 -21.850 962 HD2 HIS 134 2HD HIS 134 28.058 -26.684 -23.004 963 HE1 HIS 134 1HE HIS 134 28.465 -22.540 -23.814 964 HE2 HIS 134 2HE HIS 134 29.224 -24.863 -24.421 965 H HIS 135 H HIS 135 28.810 -27.361 -18.615 966 HA HIS 135 HA HIS 135 28.947 -29.572 -18.094 967 1HB HIS 135 2HB HIS 135 26.900 -28.613 -16.676 968 2HB HIS 135 1HB HIS 135 26.007 -29.766 -17.662 969 HD1 HIS 135 1HD HIS 135 28.644 -29.583 -14.999 970 HD2 HIS 135 2HD HIS 135 26.421 -32.444 -17.034 971 HE1 HIS 135 1HE HIS 135 29.028 -31.738 -13.761 972 HE2 HIS 135 2HE HIS 135 27.586 -33.430 -14.945 Start of MODEL 2 1 1H ASP 1 1HT ASP 1 -9.544 -10.433 9.905 2 2H ASP 1 2HT ASP 1 -10.397 -9.002 10.198 3 3H ASP 1 3HT ASP 1 -8.821 -8.937 9.586 4 HA ASP 1 HA ASP 1 -11.032 -10.249 8.130 5 1HB ASP 1 2HB ASP 1 -10.552 -7.426 8.615 6 2HB ASP 1 1HB ASP 1 -10.473 -7.802 6.893 7 H VAL 2 H VAL 2 -10.068 -8.751 5.768 8 HA VAL 2 HA VAL 2 -8.405 -10.613 4.612 9 HB VAL 2 HB VAL 2 -9.354 -9.228 3.043 10 1HG1 VAL 2 1HG1 VAL 2 -8.620 -6.936 4.843 11 2HG1 VAL 2 2HG1 VAL 2 -10.228 -7.505 4.393 12 3HG1 VAL 2 3HG1 VAL 2 -9.209 -6.701 3.198 13 1HG2 VAL 2 1HG2 VAL 2 -6.816 -7.669 3.188 14 2HG2 VAL 2 2HG2 VAL 2 -7.655 -8.322 1.781 15 3HG2 VAL 2 3HG2 VAL 2 -6.763 -9.400 2.854 16 H GLN 3 H GLN 3 -6.360 -11.152 4.858 17 HA GLN 3 HA GLN 3 -4.508 -9.219 6.092 18 1HB GLN 3 2HB GLN 3 -5.209 -11.795 6.945 19 2HB GLN 3 1HB GLN 3 -3.615 -11.971 6.226 20 1HG GLN 3 2HG GLN 3 -3.652 -9.648 7.887 21 2HG GLN 3 1HG GLN 3 -4.271 -11.031 8.790 22 1HE2 GLN 3 1HE2 GLN 3 -1.758 -10.642 6.315 23 2HE2 GLN 3 2HE2 GLN 3 -0.495 -11.379 7.235 24 H LEU 4 H LEU 4 -2.532 -8.872 5.115 25 HA LEU 4 HA LEU 4 -2.109 -10.297 2.568 26 1HB LEU 4 2HB LEU 4 -0.711 -7.780 2.700 27 2HB LEU 4 1HB LEU 4 -1.843 -8.365 1.497 28 HG LEU 4 HG LEU 4 -2.728 -7.127 4.100 29 1HD1 LEU 4 1HD1 LEU 4 -3.164 -5.098 2.706 30 2HD1 LEU 4 2HD1 LEU 4 -2.187 -5.839 1.438 31 3HD1 LEU 4 3HD1 LEU 4 -1.460 -5.447 2.994 32 1HD2 LEU 4 1HD2 LEU 4 -4.855 -7.025 3.155 33 2HD2 LEU 4 2HD2 LEU 4 -4.260 -8.609 2.660 34 3HD2 LEU 4 3HD2 LEU 4 -4.244 -7.266 1.518 35 H GLN 5 H GLN 5 0.117 -10.530 1.874 36 HA GLN 5 HA GLN 5 2.032 -10.576 4.109 37 1HB GLN 5 2HB GLN 5 2.098 -12.646 1.941 38 2HB GLN 5 1HB GLN 5 2.783 -12.717 3.558 39 1HG GLN 5 2HG GLN 5 0.343 -12.664 4.365 40 2HG GLN 5 1HG GLN 5 -0.058 -13.085 2.700 41 1HE2 GLN 5 1HE2 GLN 5 1.763 -14.850 1.954 42 2HE2 GLN 5 2HE2 GLN 5 1.753 -16.248 2.968 43 H ALA 6 H ALA 6 3.570 -9.147 3.683 44 HA ALA 6 HA ALA 6 4.293 -8.578 0.908 45 1HB ALA 6 1HB ALA 6 5.594 -6.683 1.975 46 2HB ALA 6 2HB ALA 6 4.811 -7.133 3.491 47 3HB ALA 6 3HB ALA 6 3.836 -6.610 2.117 48 H SER 7 H SER 7 6.263 -8.966 0.047 49 HA SER 7 HA SER 7 8.551 -9.637 1.632 50 1HB SER 7 2HB SER 7 7.000 -11.757 1.443 51 2HB SER 7 1HB SER 7 7.693 -11.866 -0.175 52 HG SER 7 HG SER 7 8.762 -12.742 2.022 53 H GLY 8 H GLY 8 10.230 -10.763 -0.062 54 1HA GLY 8 2HA GLY 8 11.075 -10.700 -2.299 55 2HA GLY 8 1HA GLY 8 10.007 -9.343 -2.627 56 H GLY 9 H GLY 9 11.304 -8.805 0.351 57 1HA GLY 9 2HA GLY 9 12.857 -6.611 -0.471 58 2HA GLY 9 1HA GLY 9 12.883 -7.333 1.132 59 H GLY 10 H GLY 10 15.113 -6.247 -0.367 60 1HA GLY 10 2HA GLY 10 16.859 -8.569 -0.144 61 2HA GLY 10 1HA GLY 10 16.776 -7.831 -1.735 62 H LEU 11 H LEU 11 19.160 -7.773 -1.083 63 HA LEU 11 HA LEU 11 19.789 -5.368 0.484 64 1HB LEU 11 2HB LEU 11 21.034 -7.943 0.157 65 2HB LEU 11 1HB LEU 11 22.155 -6.681 -0.315 66 HG LEU 11 HG LEU 11 22.541 -7.183 1.985 67 1HD1 LEU 11 1HD1 LEU 11 22.318 -5.051 2.985 68 2HD1 LEU 11 2HD1 LEU 11 20.918 -4.652 1.988 69 3HD1 LEU 11 3HD1 LEU 11 22.516 -4.775 1.254 70 1HD2 LEU 11 1HD2 LEU 11 19.574 -6.799 2.338 71 2HD2 LEU 11 2HD2 LEU 11 20.722 -6.900 3.673 72 3HD2 LEU 11 3HD2 LEU 11 20.507 -8.274 2.589 73 H VAL 12 H VAL 12 20.374 -3.552 -0.544 74 HA VAL 12 HA VAL 12 21.363 -3.789 -3.311 75 HB VAL 12 HB VAL 12 20.173 -1.877 -4.010 76 1HG1 VAL 12 1HG1 VAL 12 18.076 -3.102 -2.289 77 2HG1 VAL 12 2HG1 VAL 12 18.898 -4.099 -3.491 78 3HG1 VAL 12 3HG1 VAL 12 18.020 -2.654 -3.994 79 1HG2 VAL 12 1HG2 VAL 12 19.756 -0.157 -2.671 80 2HG2 VAL 12 2HG2 VAL 12 20.336 -1.102 -1.299 81 3HG2 VAL 12 3HG2 VAL 12 18.627 -1.134 -1.730 82 H GLN 13 H GLN 13 22.100 -1.332 -3.909 83 HA GLN 13 HA GLN 13 24.037 -0.561 -1.830 84 1HB GLN 13 2HB GLN 13 24.689 0.053 -4.650 85 2HB GLN 13 1HB GLN 13 25.739 -0.475 -3.344 86 1HG GLN 13 2HG GLN 13 25.814 -2.283 -4.745 87 2HG GLN 13 1HG GLN 13 24.513 -2.752 -3.651 88 1HE2 GLN 13 1HE2 GLN 13 24.408 -0.420 -6.292 89 2HE2 GLN 13 2HE2 GLN 13 23.242 -1.271 -7.240 90 HA PRO 14 HA PRO 14 22.334 3.509 -1.730 91 1HB PRO 14 2HB PRO 14 25.154 4.423 -2.129 92 2HB PRO 14 1HB PRO 14 23.965 4.938 -0.926 93 1HG PRO 14 2HG PRO 14 25.922 3.282 -0.241 94 2HG PRO 14 1HG PRO 14 24.281 3.046 0.389 95 1HD PRO 14 2HD PRO 14 25.732 1.536 -1.735 96 2HD PRO 14 1HD PRO 14 24.560 0.955 -0.535 97 H GLY 15 H GLY 15 21.264 3.369 -3.749 98 1HA GLY 15 2HA GLY 15 20.992 4.979 -5.599 99 2HA GLY 15 1HA GLY 15 22.696 4.726 -5.950 100 H GLY 16 H GLY 16 20.788 1.988 -5.031 101 1HA GLY 16 2HA GLY 16 21.121 0.898 -7.723 102 2HA GLY 16 1HA GLY 16 20.738 -0.018 -6.276 103 H SER 17 H SER 17 18.885 -1.032 -6.752 104 HA SER 17 HA SER 17 16.470 0.461 -6.919 105 1HB SER 17 2HB SER 17 16.063 -0.984 -9.233 106 2HB SER 17 1HB SER 17 16.418 0.742 -9.157 107 HG SER 17 HG SER 17 17.890 -0.213 -10.532 108 H LEU 18 H LEU 18 14.885 -0.710 -6.031 109 HA LEU 18 HA LEU 18 15.128 -3.647 -6.055 110 1HB LEU 18 2HB LEU 18 15.268 -1.916 -3.806 111 2HB LEU 18 1HB LEU 18 13.747 -2.780 -3.709 112 HG LEU 18 HG LEU 18 16.521 -3.958 -3.778 113 1HD1 LEU 18 1HD1 LEU 18 16.328 -4.116 -1.573 114 2HD1 LEU 18 2HD1 LEU 18 14.736 -4.863 -1.708 115 3HD1 LEU 18 3HD1 LEU 18 14.886 -3.106 -1.690 116 1HD2 LEU 18 1HD2 LEU 18 15.456 -6.156 -3.676 117 2HD2 LEU 18 2HD2 LEU 18 15.071 -5.323 -5.181 118 3HD2 LEU 18 3HD2 LEU 18 13.876 -5.404 -3.885 119 H ARG 19 H ARG 19 13.105 -4.792 -5.742 120 HA ARG 19 HA ARG 19 10.666 -3.258 -6.167 121 1HB ARG 19 2HB ARG 19 11.649 -3.910 -8.416 122 2HB ARG 19 1HB ARG 19 11.348 -5.583 -7.965 123 1HG ARG 19 2HG ARG 19 8.970 -4.067 -7.541 124 2HG ARG 19 1HG ARG 19 9.579 -3.755 -9.170 125 1HD ARG 19 2HD ARG 19 9.838 -6.526 -8.705 126 2HD ARG 19 1HD ARG 19 8.228 -6.064 -8.158 127 HE ARG 19 HE ARG 19 7.630 -5.698 -10.337 128 1HH1 ARG 19 1HH1 ARG 19 11.105 -5.872 -10.127 129 2HH1 ARG 19 2HH1 ARG 19 11.337 -5.864 -11.843 130 1HH2 ARG 19 1HH2 ARG 19 7.926 -5.686 -12.596 131 2HH2 ARG 19 2HH2 ARG 19 9.530 -5.758 -13.248 132 H VAL 20 H VAL 20 9.615 -3.887 -4.379 133 HA VAL 20 HA VAL 20 9.536 -6.761 -3.757 134 HB VAL 20 HB VAL 20 9.099 -6.230 -1.485 135 1HG1 VAL 20 1HG1 VAL 20 11.437 -5.896 -2.366 136 2HG1 VAL 20 2HG1 VAL 20 11.066 -5.091 -0.841 137 3HG1 VAL 20 3HG1 VAL 20 11.107 -4.164 -2.341 138 1HG2 VAL 20 1HG2 VAL 20 8.988 -3.292 -2.099 139 2HG2 VAL 20 2HG2 VAL 20 8.489 -4.132 -0.631 140 3HG2 VAL 20 3HG2 VAL 20 7.538 -4.296 -2.107 141 H SER 21 H SER 21 7.504 -7.693 -3.088 142 HA SER 21 HA SER 21 5.136 -6.185 -3.966 143 1HB SER 21 2HB SER 21 4.279 -8.292 -5.017 144 2HB SER 21 1HB SER 21 5.701 -7.621 -5.815 145 HG SER 21 HG SER 21 6.246 -9.691 -5.580 146 H CYS 22 H CYS 22 3.077 -7.211 -3.272 147 HA CYS 22 HA CYS 22 3.327 -8.761 -0.793 148 1HB CYS 22 2HB CYS 22 3.086 -6.530 0.015 149 2HB CYS 22 1HB CYS 22 1.827 -6.168 -1.159 150 H ALA 23 H ALA 23 2.192 -10.558 -1.035 151 HA ALA 23 HA ALA 23 0.017 -10.659 -2.955 152 1HB ALA 23 1HB ALA 23 1.347 -12.812 -1.319 153 2HB ALA 23 2HB ALA 23 1.578 -12.473 -3.035 154 3HB ALA 23 3HB ALA 23 0.033 -13.098 -2.459 155 H ALA 24 H ALA 24 -1.973 -10.145 -2.348 156 HA ALA 24 HA ALA 24 -2.810 -10.735 0.415 157 1HB ALA 24 1HB ALA 24 -2.807 -8.346 -0.121 158 2HB ALA 24 2HB ALA 24 -4.442 -8.936 0.186 159 3HB ALA 24 3HB ALA 24 -3.905 -8.648 -1.470 160 H SER 25 H SER 25 -5.271 -11.045 0.576 161 HA SER 25 HA SER 25 -6.720 -12.039 -1.639 162 1HB SER 25 2HB SER 25 -4.998 -13.873 -1.329 163 2HB SER 25 1HB SER 25 -5.750 -14.207 0.231 164 HG SER 25 HG SER 25 -7.474 -15.009 -0.747 165 H GLY 26 H GLY 26 -8.663 -11.321 -1.030 166 1HA GLY 26 2HA GLY 26 -10.457 -12.312 0.588 167 2HA GLY 26 1HA GLY 26 -9.437 -11.541 1.791 168 H PHE 27 H PHE 27 -9.574 -9.876 -1.191 169 HA PHE 27 HA PHE 27 -11.949 -8.385 -0.724 170 1HB PHE 27 2HB PHE 27 -11.146 -6.372 0.151 171 2HB PHE 27 1HB PHE 27 -10.311 -7.593 1.099 172 HD1 PHE 27 1HD PHE 27 -8.086 -8.390 -0.595 173 HD2 PHE 27 2HD PHE 27 -9.792 -4.538 0.014 174 HE1 PHE 27 1HE PHE 27 -5.936 -7.347 -1.177 175 HE2 PHE 27 2HE PHE 27 -7.647 -3.490 -0.566 176 HZ PHE 27 HZ PHE 27 -5.714 -4.894 -1.164 177 H THR 28 H THR 28 -9.224 -9.205 -2.514 178 HA THR 28 HA THR 28 -8.630 -8.885 -4.685 179 HB THR 28 HB THR 28 -11.303 -7.500 -4.972 180 HG1 THR 28 1HG THR 28 -10.894 -10.093 -5.905 181 1HG2 THR 28 1HG2 THR 28 -11.071 -8.009 -7.348 182 2HG2 THR 28 2HG2 THR 28 -9.490 -8.733 -7.050 183 3HG2 THR 28 3HG2 THR 28 -9.731 -7.004 -6.795 184 H PHE 29 H PHE 29 -7.510 -7.398 -5.905 185 HA PHE 29 HA PHE 29 -7.122 -4.805 -4.648 186 1HB PHE 29 2HB PHE 29 -5.574 -6.557 -6.445 187 2HB PHE 29 1HB PHE 29 -5.405 -4.835 -6.766 188 HD1 PHE 29 1HD PHE 29 -5.003 -7.445 -4.185 189 HD2 PHE 29 2HD PHE 29 -4.127 -3.451 -5.356 190 HE1 PHE 29 1HE PHE 29 -3.377 -7.267 -2.346 191 HE2 PHE 29 2HE PHE 29 -2.500 -3.265 -3.522 192 HZ PHE 29 HZ PHE 29 -2.122 -5.175 -2.014 193 H SER 30 H SER 30 -6.541 -3.027 -6.423 194 HA SER 30 HA SER 30 -7.382 -1.504 -7.883 195 1HB SER 30 2HB SER 30 -7.729 -2.263 -10.015 196 2HB SER 30 1HB SER 30 -7.032 -3.728 -9.326 197 HG SER 30 HG SER 30 -9.015 -4.054 -10.512 198 H SER 31 H SER 31 -9.144 -2.815 -5.683 199 HA SER 31 HA SER 31 -11.714 -1.767 -6.676 200 1HB SER 31 2HB SER 31 -11.241 -3.841 -4.520 201 2HB SER 31 1HB SER 31 -12.816 -3.244 -5.043 202 HG SER 31 HG SER 31 -10.935 -4.715 -6.573 203 H TYR 32 H TYR 32 -9.280 -1.612 -4.231 204 HA TYR 32 HA TYR 32 -10.729 0.609 -2.961 205 1HB TYR 32 2HB TYR 32 -9.106 -1.501 -1.520 206 2HB TYR 32 1HB TYR 32 -9.846 -0.089 -0.773 207 HD1 TYR 32 1HD TYR 32 -12.371 0.111 -0.799 208 HD2 TYR 32 2HD TYR 32 -10.342 -3.484 -1.831 209 HE1 TYR 32 1HE TYR 32 -14.441 -1.159 -0.418 210 HE2 TYR 32 2HE TYR 32 -12.406 -4.765 -1.450 211 HH TYR 32 HH TYR 32 -15.196 -3.360 0.029 212 H HIS 33 H HIS 33 -9.004 1.665 -1.326 213 HA HIS 33 HA HIS 33 -6.753 2.420 -3.040 214 1HB HIS 33 2HB HIS 33 -7.032 3.944 -0.575 215 2HB HIS 33 1HB HIS 33 -7.009 4.509 -2.241 216 HD1 HIS 33 1HD HIS 33 -9.406 3.209 0.371 217 HD2 HIS 33 2HD HIS 33 -9.460 5.209 -3.271 218 HE1 HIS 33 1HE HIS 33 -11.787 3.948 0.046 219 HE2 HIS 33 2HE HIS 33 -11.770 5.256 -2.107 220 H MET 34 H MET 34 -5.301 0.750 -2.662 221 HA MET 34 HA MET 34 -4.614 0.009 0.046 222 1HB MET 34 2HB MET 34 -3.750 -0.899 -2.675 223 2HB MET 34 1HB MET 34 -2.807 -1.342 -1.257 224 1HG MET 34 2HG MET 34 -5.751 -1.832 -1.311 225 2HG MET 34 1HG MET 34 -4.651 -2.936 -2.133 226 1HE MET 34 1HE MET 34 -2.375 -3.463 -0.938 227 2HE MET 34 2HE MET 34 -2.356 -4.166 0.678 228 3HE MET 34 3HE MET 34 -2.116 -2.433 0.469 229 H ALA 35 H ALA 35 -2.003 -0.295 0.256 230 HA ALA 35 HA ALA 35 -0.505 1.933 -0.749 231 1HB ALA 35 1HB ALA 35 -0.963 3.455 0.782 232 2HB ALA 35 2HB ALA 35 -0.362 2.371 2.037 233 3HB ALA 35 3HB ALA 35 -2.066 2.337 1.584 234 H TRP 36 H TRP 36 1.669 1.990 -0.083 235 HA TRP 36 HA TRP 36 2.649 -0.557 1.010 236 1HB TRP 36 2HB TRP 36 3.572 1.241 -1.127 237 2HB TRP 36 1HB TRP 36 4.850 0.691 -0.048 238 HD1 TRP 36 HD TRP 36 2.897 -0.377 -3.010 239 HE1 TRP 36 1HE TRP 36 3.385 -2.847 -3.567 240 HE3 TRP 36 3HE TRP 36 5.341 -1.703 1.278 241 HZ2 TRP 36 2HZ TRP 36 4.645 -5.060 -2.342 242 HZ3 TRP 36 3HZ TRP 36 6.155 -4.013 1.509 243 HH2 TRP 36 HH TRP 36 5.813 -5.656 -0.266 244 H VAL 37 H VAL 37 3.270 -0.475 3.032 245 HA VAL 37 HA VAL 37 4.067 2.060 4.266 246 HB VAL 37 HB VAL 37 3.782 -0.229 6.063 247 1HG1 VAL 37 1HG1 VAL 37 2.789 1.256 7.423 248 2HG1 VAL 37 2HG1 VAL 37 1.961 2.090 6.109 249 3HG1 VAL 37 3HG1 VAL 37 3.678 2.377 6.395 250 1HG2 VAL 37 1HG2 VAL 37 1.374 -0.499 5.812 251 2HG2 VAL 37 2HG2 VAL 37 2.201 -0.952 4.320 252 3HG2 VAL 37 3HG2 VAL 37 1.382 0.612 4.439 253 H ARG 38 H ARG 38 5.769 1.923 5.986 254 HA ARG 38 HA ARG 38 7.717 -0.188 5.785 255 1HB ARG 38 2HB ARG 38 8.741 0.784 4.008 256 2HB ARG 38 1HB ARG 38 8.044 2.363 4.335 257 1HG ARG 38 2HG ARG 38 9.763 2.158 6.405 258 2HG ARG 38 1HG ARG 38 10.615 1.216 5.179 259 1HD ARG 38 2HD ARG 38 11.359 3.461 4.969 260 2HD ARG 38 1HD ARG 38 10.282 3.147 3.610 261 HE ARG 38 HE ARG 38 8.775 4.250 5.699 262 1HH1 ARG 38 1HH1 ARG 38 11.286 5.151 3.451 263 2HH1 ARG 38 2HH1 ARG 38 10.845 6.826 3.432 264 1HH2 ARG 38 1HH2 ARG 38 8.193 6.453 5.677 265 2HH2 ARG 38 2HH2 ARG 38 9.086 7.566 4.698 266 H GLN 39 H GLN 39 8.764 -0.409 7.672 267 HA GLN 39 HA GLN 39 8.685 1.853 9.557 268 1HB GLN 39 2HB GLN 39 7.287 0.193 10.470 269 2HB GLN 39 1HB GLN 39 8.379 -1.105 10.005 270 1HG GLN 39 2HG GLN 39 10.003 -0.301 11.672 271 2HG GLN 39 1HG GLN 39 8.855 0.945 12.161 272 1HE2 GLN 39 1HE2 GLN 39 6.848 0.268 13.089 273 2HE2 GLN 39 2HE2 GLN 39 6.746 -1.234 13.936 274 H ALA 40 H ALA 40 10.607 2.720 9.887 275 HA ALA 40 HA ALA 40 13.038 1.346 9.210 276 1HB ALA 40 1HB ALA 40 13.847 3.601 10.509 277 2HB ALA 40 2HB ALA 40 12.254 4.076 9.923 278 3HB ALA 40 3HB ALA 40 13.476 3.504 8.787 279 HA PRO 41 HA PRO 41 14.248 -0.577 12.987 280 1HB PRO 41 2HB PRO 41 16.757 1.030 12.793 281 2HB PRO 41 1HB PRO 41 16.550 -0.709 13.033 282 1HG PRO 41 2HG PRO 41 17.270 0.249 10.659 283 2HG PRO 41 1HG PRO 41 16.131 -1.103 10.785 284 1HD PRO 41 2HD PRO 41 15.612 1.757 10.131 285 2HD PRO 41 1HD PRO 41 14.800 0.297 9.534 286 H GLY 42 H GLY 42 14.612 2.898 12.659 287 1HA GLY 42 2HA GLY 42 14.162 3.154 15.570 288 2HA GLY 42 1HA GLY 42 15.190 4.259 14.669 289 H LYS 43 H LYS 43 12.033 2.931 13.779 290 HA LYS 43 HA LYS 43 10.807 5.564 14.124 291 1HB LYS 43 2HB LYS 43 11.741 4.868 11.673 292 2HB LYS 43 1HB LYS 43 10.116 4.202 11.593 293 1HG LYS 43 2HG LYS 43 9.246 6.209 11.245 294 2HG LYS 43 1HG LYS 43 10.053 6.864 12.672 295 1HD LYS 43 2HD LYS 43 11.986 6.465 10.608 296 2HD LYS 43 1HD LYS 43 10.624 7.375 9.951 297 1HE LYS 43 2HE LYS 43 10.955 8.632 12.314 298 2HE LYS 43 1HE LYS 43 12.616 8.136 11.987 299 1HZ LYS 43 1HZ LYS 43 11.087 9.416 9.837 300 2HZ LYS 43 2HZ LYS 43 12.748 9.464 10.153 301 3HZ LYS 43 3HZ LYS 43 11.685 10.389 11.086 302 H GLY 44 H GLY 44 8.363 5.158 13.078 303 1HA GLY 44 2HA GLY 44 7.380 2.686 14.360 304 2HA GLY 44 1HA GLY 44 6.607 4.237 14.652 305 H LEU 45 H LEU 45 7.766 2.533 11.746 306 HA LEU 45 HA LEU 45 6.762 1.997 9.786 307 1HB LEU 45 2HB LEU 45 5.186 0.711 10.972 308 2HB LEU 45 1HB LEU 45 4.342 2.123 11.566 309 HG LEU 45 HG LEU 45 4.364 1.456 8.618 310 1HD1 LEU 45 1HD1 LEU 45 3.343 -0.220 10.630 311 2HD1 LEU 45 2HD1 LEU 45 3.051 -0.303 8.892 312 3HD1 LEU 45 3HD1 LEU 45 1.958 0.617 9.927 313 1HD2 LEU 45 1HD2 LEU 45 2.745 3.167 10.475 314 2HD2 LEU 45 2HD2 LEU 45 2.022 2.544 8.991 315 3HD2 LEU 45 3HD2 LEU 45 3.457 3.568 8.911 316 H GLU 46 H GLU 46 5.721 2.894 7.995 317 HA GLU 46 HA GLU 46 4.579 5.552 8.217 318 1HB GLU 46 2HB GLU 46 7.086 5.844 8.017 319 2HB GLU 46 1HB GLU 46 6.962 5.119 6.420 320 1HG GLU 46 2HG GLU 46 6.714 7.218 5.712 321 2HG GLU 46 1HG GLU 46 5.050 7.031 6.273 322 H TRP 47 H TRP 47 2.861 5.566 6.960 323 HA TRP 47 HA TRP 47 2.063 3.547 5.265 324 1HB TRP 47 2HB TRP 47 0.263 4.862 5.650 325 2HB TRP 47 1HB TRP 47 1.233 6.326 5.784 326 HD1 TRP 47 HD TRP 47 0.145 3.975 2.903 327 HE1 TRP 47 1HE TRP 47 -0.481 5.441 0.889 328 HE3 TRP 47 3HE TRP 47 1.099 8.558 4.923 329 HZ2 TRP 47 2HZ TRP 47 -0.576 8.196 0.244 330 HZ3 TRP 47 3HZ TRP 47 0.719 10.564 3.548 331 HH2 TRP 47 HH TRP 47 -0.102 10.385 1.255 332 H VAL 48 H VAL 48 4.276 6.123 4.640 333 HA VAL 48 HA VAL 48 5.591 6.658 2.881 334 HB VAL 48 HB VAL 48 5.081 3.753 2.355 335 1HG1 VAL 48 1HG1 VAL 48 5.814 5.607 0.328 336 2HG1 VAL 48 2HG1 VAL 48 5.729 3.848 0.228 337 3HG1 VAL 48 3HG1 VAL 48 7.230 4.633 0.721 338 1HG2 VAL 48 1HG2 VAL 48 7.150 5.418 3.594 339 2HG2 VAL 48 2HG2 VAL 48 7.766 4.131 2.555 340 3HG2 VAL 48 3HG2 VAL 48 6.702 3.741 3.908 341 H SER 49 H SER 49 3.340 4.498 1.075 342 HA SER 49 HA SER 49 2.345 6.890 -0.321 343 1HB SER 49 2HB SER 49 2.825 5.902 -2.525 344 2HB SER 49 1HB SER 49 4.297 6.178 -1.589 345 HG SER 49 HG SER 49 4.623 4.155 -2.124 346 H THR 50 H THR 50 0.455 6.626 -1.560 347 HA THR 50 HA THR 50 -1.026 4.109 -1.193 348 HB THR 50 HB THR 50 -1.748 6.768 -0.160 349 HG1 THR 50 1HG THR 50 -2.748 4.146 0.332 350 1HG2 THR 50 1HG2 THR 50 -4.157 6.514 -0.556 351 2HG2 THR 50 2HG2 THR 50 -3.836 5.133 -1.606 352 3HG2 THR 50 3HG2 THR 50 -3.274 6.740 -2.065 353 H ILE 51 H ILE 51 -2.411 3.559 -2.871 354 HA ILE 51 HA ILE 51 -2.413 5.365 -5.205 355 HB ILE 51 HB ILE 51 -0.978 3.361 -5.556 356 1HG1 ILE 51 2HG1 ILE 51 -3.245 2.893 -7.406 357 2HG1 ILE 51 1HG1 ILE 51 -2.668 4.557 -7.302 358 1HG2 ILE 51 1HG2 ILE 51 -1.636 1.337 -4.939 359 2HG2 ILE 51 2HG2 ILE 51 -3.030 1.433 -6.015 360 3HG2 ILE 51 3HG2 ILE 51 -3.153 2.025 -4.358 361 1HD1 ILE 51 1HD1 ILE 51 -1.439 3.660 -9.044 362 2HD1 ILE 51 2HD1 ILE 51 -1.217 2.114 -8.225 363 3HD1 ILE 51 3HD1 ILE 51 -0.336 3.538 -7.672 364 H ASN 52 H ASN 52 -4.296 5.395 -6.489 365 HA ASN 52 HA ASN 52 -6.703 4.572 -5.038 366 1HB ASN 52 2HB ASN 52 -7.377 6.072 -7.352 367 2HB ASN 52 1HB ASN 52 -7.481 6.570 -5.666 368 1HD2 ASN 52 1HD2 ASN 52 -5.830 7.796 -4.771 369 2HD2 ASN 52 2HD2 ASN 52 -4.662 8.614 -5.747 370 HA PRO 53 HA PRO 53 -7.719 1.313 -7.824 371 1HB PRO 53 2HB PRO 53 -10.432 1.549 -7.991 372 2HB PRO 53 1HB PRO 53 -9.597 0.880 -6.585 373 1HG PRO 53 2HG PRO 53 -10.675 3.642 -7.011 374 2HG PRO 53 1HG PRO 53 -10.785 2.608 -5.573 375 1HD PRO 53 2HD PRO 53 -8.994 4.609 -5.751 376 2HD PRO 53 1HD PRO 53 -8.622 3.093 -4.906 377 H GLY 54 H GLY 54 -7.701 1.049 -9.975 378 1HA GLY 54 2HA GLY 54 -8.423 1.421 -12.191 379 2HA GLY 54 1HA GLY 54 -9.101 2.962 -11.688 380 H ASP 55 H ASP 55 -5.915 2.249 -10.620 381 HA ASP 55 HA ASP 55 -3.924 3.287 -11.007 382 1HB ASP 55 2HB ASP 55 -4.914 2.338 -13.605 383 2HB ASP 55 1HB ASP 55 -3.716 3.623 -13.726 384 H GLY 56 H GLY 56 -4.931 5.216 -9.993 385 1HA GLY 56 2HA GLY 56 -5.337 7.395 -11.937 386 2HA GLY 56 1HA GLY 56 -6.007 7.369 -10.314 387 H SER 57 H SER 57 -5.136 9.275 -9.613 388 HA SER 57 HA SER 57 -2.455 10.063 -10.005 389 1HB SER 57 2HB SER 57 -4.211 10.943 -7.710 390 2HB SER 57 1HB SER 57 -2.907 11.843 -8.485 391 HG SER 57 HG SER 57 -5.034 11.018 -10.086 392 H THR 58 H THR 58 -1.509 10.789 -7.496 393 HA THR 58 HA THR 58 -1.416 8.464 -5.796 394 HB THR 58 HB THR 58 1.326 8.947 -6.311 395 HG1 THR 58 1HG THR 58 0.923 9.664 -8.366 396 1HG2 THR 58 1HG2 THR 58 -0.351 6.587 -7.157 397 2HG2 THR 58 2HG2 THR 58 0.228 6.855 -5.512 398 3HG2 THR 58 3HG2 THR 58 1.380 6.602 -6.823 399 H TYR 59 H TYR 59 -0.718 8.907 -3.769 400 HA TYR 59 HA TYR 59 0.427 11.565 -3.248 401 1HB TYR 59 2HB TYR 59 -1.388 10.512 -1.169 402 2HB TYR 59 1HB TYR 59 -1.187 12.157 -1.762 403 HD1 TYR 59 1HD TYR 59 -2.211 12.706 -4.061 404 HD2 TYR 59 2HD TYR 59 -3.256 9.263 -1.790 405 HE1 TYR 59 1HE TYR 59 -4.298 12.501 -5.342 406 HE2 TYR 59 2HE TYR 59 -5.346 9.050 -3.066 407 HH TYR 59 HH TYR 59 -5.916 10.463 -5.915 408 H TYR 60 H TYR 60 2.125 11.556 -1.896 409 HA TYR 60 HA TYR 60 2.726 9.033 -0.496 410 1HB TYR 60 2HB TYR 60 4.561 11.045 -1.796 411 2HB TYR 60 1HB TYR 60 5.140 9.809 -0.686 412 HD1 TYR 60 1HD TYR 60 2.799 9.864 -3.615 413 HD2 TYR 60 2HD TYR 60 6.177 8.066 -1.757 414 HE1 TYR 60 1HE TYR 60 2.977 8.281 -5.487 415 HE2 TYR 60 2HE TYR 60 6.365 6.478 -3.623 416 HH TYR 60 HH TYR 60 5.640 6.499 -6.138 417 H ALA 61 H ALA 61 4.543 9.552 1.239 418 HA ALA 61 HA ALA 61 3.271 11.255 3.180 419 1HB ALA 61 1HB ALA 61 5.125 10.471 4.664 420 2HB ALA 61 2HB ALA 61 5.759 9.554 3.299 421 3HB ALA 61 3HB ALA 61 4.167 9.173 3.955 422 H ASP 62 H ASP 62 4.854 12.185 0.657 423 HA ASP 62 HA ASP 62 5.929 14.096 0.064 424 1HB ASP 62 2HB ASP 62 4.735 14.786 2.447 425 2HB ASP 62 1HB ASP 62 6.426 15.183 2.728 426 H SER 63 H SER 63 7.179 11.850 2.245 427 HA SER 63 HA SER 63 9.908 12.887 1.890 428 1HB SER 63 2HB SER 63 10.273 10.998 3.751 429 2HB SER 63 1HB SER 63 9.798 12.644 4.166 430 HG SER 63 HG SER 63 7.692 11.971 4.377 431 H VAL 64 H VAL 64 7.833 10.832 0.503 432 HA VAL 64 HA VAL 64 9.994 9.076 -0.422 433 HB VAL 64 HB VAL 64 7.993 7.333 -0.620 434 1HG1 VAL 64 1HG1 VAL 64 9.707 6.400 0.489 435 2HG1 VAL 64 2HG1 VAL 64 8.750 6.776 1.923 436 3HG1 VAL 64 3HG1 VAL 64 10.041 7.865 1.413 437 1HG2 VAL 64 1HG2 VAL 64 7.300 8.738 1.948 438 2HG2 VAL 64 2HG2 VAL 64 6.449 7.404 1.169 439 3HG2 VAL 64 3HG2 VAL 64 6.427 9.010 0.440 440 H LYS 65 H LYS 65 7.713 11.306 -1.199 441 HA LYS 65 HA LYS 65 6.320 10.447 -3.394 442 1HB LYS 65 2HB LYS 65 6.214 12.732 -2.399 443 2HB LYS 65 1HB LYS 65 7.734 13.111 -3.195 444 1HG LYS 65 2HG LYS 65 5.950 14.020 -4.492 445 2HG LYS 65 1HG LYS 65 6.645 12.663 -5.378 446 1HD LYS 65 2HD LYS 65 4.738 11.477 -5.283 447 2HD LYS 65 1HD LYS 65 4.433 11.924 -3.604 448 1HE LYS 65 2HE LYS 65 2.857 12.742 -5.558 449 2HE LYS 65 1HE LYS 65 3.217 13.773 -4.174 450 1HZ LYS 65 1HZ LYS 65 4.521 15.142 -5.416 451 2HZ LYS 65 2HZ LYS 65 3.461 14.633 -6.631 452 3HZ LYS 65 3HZ LYS 65 4.993 13.929 -6.497 453 H GLY 66 H GLY 66 9.569 11.921 -3.525 454 1HA GLY 66 2HA GLY 66 9.931 10.749 -6.196 455 2HA GLY 66 1HA GLY 66 10.917 12.026 -5.490 456 H ARG 67 H ARG 67 9.968 9.023 -3.930 457 HA ARG 67 HA ARG 67 12.792 8.183 -3.933 458 1HB ARG 67 2HB ARG 67 11.988 9.010 -1.728 459 2HB ARG 67 1HB ARG 67 10.767 7.749 -1.733 460 1HG ARG 67 2HG ARG 67 12.343 6.715 -0.482 461 2HG ARG 67 1HG ARG 67 12.894 6.212 -2.083 462 1HD ARG 67 2HD ARG 67 14.787 6.986 -0.817 463 2HD ARG 67 1HD ARG 67 14.447 8.140 -2.108 464 HE ARG 67 HE ARG 67 13.934 8.545 0.754 465 1HH1 ARG 67 1HH1 ARG 67 14.094 9.779 -2.500 466 2HH1 ARG 67 2HH1 ARG 67 14.009 11.439 -2.013 467 1HH2 ARG 67 1HH2 ARG 67 13.821 10.728 1.407 468 2HH2 ARG 67 2HH2 ARG 67 13.855 11.978 0.209 469 H PHE 68 H PHE 68 9.614 6.789 -3.102 470 HA PHE 68 HA PHE 68 10.400 4.363 -4.572 471 1HB PHE 68 2HB PHE 68 8.294 4.648 -2.423 472 2HB PHE 68 1HB PHE 68 8.825 3.148 -3.169 473 HD1 PHE 68 1HD PHE 68 8.771 4.019 -0.190 474 HD2 PHE 68 2HD PHE 68 11.823 3.901 -3.153 475 HE1 PHE 68 1HE PHE 68 10.469 3.748 1.572 476 HE2 PHE 68 2HE PHE 68 13.523 3.626 -1.396 477 HZ PHE 68 HZ PHE 68 12.843 3.549 0.966 478 H THR 69 H THR 69 8.584 3.128 -5.535 479 HA THR 69 HA THR 69 6.511 4.913 -6.636 480 HB THR 69 HB THR 69 8.067 2.768 -8.097 481 HG1 THR 69 1HG THR 69 8.094 5.544 -8.033 482 1HG2 THR 69 1HG2 THR 69 6.519 3.951 -9.992 483 2HG2 THR 69 2HG2 THR 69 5.416 3.938 -8.616 484 3HG2 THR 69 3HG2 THR 69 6.121 2.429 -9.194 485 H ILE 70 H ILE 70 4.581 4.284 -5.996 486 HA ILE 70 HA ILE 70 4.157 1.483 -5.256 487 HB ILE 70 HB ILE 70 3.661 3.111 -3.528 488 1HG1 ILE 70 2HG1 ILE 70 1.690 1.269 -4.626 489 2HG1 ILE 70 1HG1 ILE 70 2.186 1.519 -2.958 490 1HG2 ILE 70 1HG2 ILE 70 3.183 5.035 -4.917 491 2HG2 ILE 70 2HG2 ILE 70 1.861 4.756 -3.783 492 3HG2 ILE 70 3HG2 ILE 70 1.685 4.289 -5.474 493 1HD1 ILE 70 1HD1 ILE 70 0.597 3.260 -2.667 494 2HD1 ILE 70 2HD1 ILE 70 -0.232 1.888 -3.402 495 3HD1 ILE 70 3HD1 ILE 70 0.217 3.279 -4.390 496 H SER 71 H SER 71 3.365 0.271 -6.824 497 HA SER 71 HA SER 71 1.025 1.210 -8.308 498 1HB SER 71 2HB SER 71 2.297 1.529 -10.146 499 2HB SER 71 1HB SER 71 3.674 0.681 -9.443 500 HG SER 71 HG SER 71 1.412 -0.487 -10.696 501 H ARG 72 H ARG 72 -0.048 -0.620 -9.484 502 HA ARG 72 HA ARG 72 0.533 -3.277 -8.468 503 1HB ARG 72 2HB ARG 72 -1.979 -3.452 -7.802 504 2HB ARG 72 1HB ARG 72 -0.834 -2.732 -6.677 505 1HG ARG 72 2HG ARG 72 -1.521 -0.504 -7.391 506 2HG ARG 72 1HG ARG 72 -2.657 -1.218 -8.537 507 1HD ARG 72 2HD ARG 72 -3.401 -2.462 -6.256 508 2HD ARG 72 1HD ARG 72 -2.844 -0.917 -5.614 509 HE ARG 72 HE ARG 72 -4.581 -0.573 -7.846 510 1HH1 ARG 72 1HH1 ARG 72 -4.526 -1.267 -4.430 511 2HH1 ARG 72 2HH1 ARG 72 -6.112 -0.631 -4.146 512 1HH2 ARG 72 1HH2 ARG 72 -6.664 0.267 -7.481 513 2HH2 ARG 72 2HH2 ARG 72 -7.328 0.241 -5.881 514 H ASP 73 H ASP 73 -1.254 -4.840 -9.298 515 HA ASP 73 HA ASP 73 -1.467 -4.378 -12.152 516 1HB ASP 73 2HB ASP 73 -0.940 -6.616 -10.681 517 2HB ASP 73 1HB ASP 73 -2.654 -6.831 -11.024 518 H ASN 74 H ASN 74 -3.626 -5.381 -13.115 519 HA ASN 74 HA ASN 74 -5.863 -4.100 -11.685 520 1HB ASN 74 2HB ASN 74 -6.733 -4.046 -14.234 521 2HB ASN 74 1HB ASN 74 -5.814 -2.733 -13.504 522 1HD2 ASN 74 1HD2 ASN 74 -5.524 -5.652 -15.450 523 2HD2 ASN 74 2HD2 ASN 74 -4.105 -5.158 -16.304 524 H ALA 75 H ALA 75 -5.206 -6.768 -11.222 525 HA ALA 75 HA ALA 75 -7.686 -8.032 -11.793 526 1HB ALA 75 1HB ALA 75 -6.402 -8.269 -13.972 527 2HB ALA 75 2HB ALA 75 -7.054 -9.749 -13.269 528 3HB ALA 75 3HB ALA 75 -5.338 -9.374 -13.102 529 H LYS 76 H LYS 76 -4.309 -9.081 -11.282 530 HA LYS 76 HA LYS 76 -5.038 -11.065 -9.383 531 1HB LYS 76 2HB LYS 76 -2.568 -10.054 -10.591 532 2HB LYS 76 1HB LYS 76 -2.368 -10.604 -8.934 533 1HG LYS 76 2HG LYS 76 -3.587 -12.724 -9.693 534 2HG LYS 76 1HG LYS 76 -3.255 -12.160 -11.332 535 1HD LYS 76 2HD LYS 76 -0.829 -11.987 -10.644 536 2HD LYS 76 1HD LYS 76 -1.273 -12.852 -9.172 537 1HE LYS 76 2HE LYS 76 -0.370 -14.175 -11.219 538 2HE LYS 76 1HE LYS 76 -1.738 -14.811 -10.305 539 1HZ LYS 76 1HZ LYS 76 -3.233 -14.129 -11.959 540 2HZ LYS 76 2HZ LYS 76 -1.944 -14.826 -12.803 541 3HZ LYS 76 3HZ LYS 76 -2.091 -13.143 -12.726 542 H ASN 77 H ASN 77 -4.163 -11.146 -7.163 543 HA ASN 77 HA ASN 77 -4.737 -8.637 -5.774 544 1HB ASN 77 2HB ASN 77 -5.059 -11.478 -5.193 545 2HB ASN 77 1HB ASN 77 -4.325 -10.601 -3.855 546 1HD2 ASN 77 1HD2 ASN 77 -7.056 -11.818 -4.463 547 2HD2 ASN 77 2HD2 ASN 77 -8.162 -10.578 -3.993 548 H THR 78 H THR 78 -2.773 -7.506 -6.052 549 HA THR 78 HA THR 78 -0.726 -8.215 -4.165 550 HB THR 78 HB THR 78 0.943 -7.859 -6.312 551 HG1 THR 78 1HG THR 78 -0.154 -9.856 -7.538 552 1HG2 THR 78 1HG2 THR 78 1.579 -9.437 -4.748 553 2HG2 THR 78 2HG2 THR 78 1.135 -10.461 -6.113 554 3HG2 THR 78 3HG2 THR 78 0.013 -10.246 -4.770 555 H LEU 79 H LEU 79 1.028 -6.667 -4.086 556 HA LEU 79 HA LEU 79 0.479 -4.067 -5.312 557 1HB LEU 79 2HB LEU 79 -0.482 -4.326 -2.915 558 2HB LEU 79 1HB LEU 79 1.192 -4.248 -2.398 559 HG LEU 79 HG LEU 79 1.416 -2.025 -3.400 560 1HD1 LEU 79 1HD1 LEU 79 -1.463 -1.662 -3.827 561 2HD1 LEU 79 2HD1 LEU 79 -0.666 -2.714 -4.997 562 3HD1 LEU 79 3HD1 LEU 79 -0.089 -1.064 -4.757 563 1HD2 LEU 79 1HD2 LEU 79 -1.074 -1.812 -1.794 564 2HD2 LEU 79 2HD2 LEU 79 0.438 -0.915 -1.663 565 3HD2 LEU 79 3HD2 LEU 79 0.336 -2.567 -1.054 566 H TYR 80 H TYR 80 2.299 -3.230 -6.143 567 HA TYR 80 HA TYR 80 4.864 -4.317 -5.180 568 1HB TYR 80 2HB TYR 80 4.230 -3.255 -7.939 569 2HB TYR 80 1HB TYR 80 5.749 -3.977 -7.423 570 HD1 TYR 80 1HD TYR 80 2.122 -4.756 -7.814 571 HD2 TYR 80 2HD TYR 80 6.100 -6.261 -7.702 572 HE1 TYR 80 1HE TYR 80 1.300 -6.967 -8.509 573 HE2 TYR 80 2HE TYR 80 5.289 -8.475 -8.397 574 HH TYR 80 HH TYR 80 2.451 -9.040 -9.785 575 H LEU 81 H LEU 81 6.680 -2.962 -5.122 576 HA LEU 81 HA LEU 81 6.318 -0.110 -5.507 577 1HB LEU 81 2HB LEU 81 5.663 -0.495 -3.150 578 2HB LEU 81 1HB LEU 81 7.233 -1.221 -2.850 579 HG LEU 81 HG LEU 81 8.020 1.166 -3.834 580 1HD1 LEU 81 1HD1 LEU 81 6.114 2.416 -2.139 581 2HD1 LEU 81 2HD1 LEU 81 5.251 1.499 -3.377 582 3HD1 LEU 81 3HD1 LEU 81 6.442 2.712 -3.848 583 1HD2 LEU 81 1HD2 LEU 81 7.867 -0.098 -1.294 584 2HD2 LEU 81 2HD2 LEU 81 7.505 1.617 -1.093 585 3HD2 LEU 81 3HD2 LEU 81 9.014 1.118 -1.857 586 H GLN 82 H GLN 82 8.137 0.838 -6.239 587 HA GLN 82 HA GLN 82 10.534 -0.851 -6.383 588 1HB GLN 82 2HB GLN 82 9.238 1.016 -8.222 589 2HB GLN 82 1HB GLN 82 10.969 1.285 -8.076 590 1HG GLN 82 2HG GLN 82 10.292 -1.524 -8.376 591 2HG GLN 82 1HG GLN 82 9.732 -0.535 -9.724 592 1HE2 GLN 82 1HE2 GLN 82 12.207 -2.370 -8.700 593 2HE2 GLN 82 2HE2 GLN 82 13.507 -1.657 -9.587 594 H MET 83 H MET 83 12.142 -0.392 -5.067 595 HA MET 83 HA MET 83 12.238 2.142 -3.675 596 1HB MET 83 2HB MET 83 13.745 -0.446 -3.462 597 2HB MET 83 1HB MET 83 14.347 1.000 -2.662 598 1HG MET 83 2HG MET 83 13.120 -0.064 -1.014 599 2HG MET 83 1HG MET 83 12.009 1.159 -1.627 600 1HE MET 83 1HE MET 83 11.948 -2.636 -0.570 601 2HE MET 83 2HE MET 83 10.221 -2.279 -0.508 602 3HE MET 83 3HE MET 83 11.383 -1.132 0.158 603 H ASN 84 H ASN 84 12.936 3.762 -4.965 604 HA ASN 84 HA ASN 84 15.506 3.363 -6.354 605 1HB ASN 84 2HB ASN 84 13.668 5.595 -7.106 606 2HB ASN 84 1HB ASN 84 14.814 4.703 -8.102 607 1HD2 ASN 84 1HD2 ASN 84 14.230 2.658 -8.896 608 2HD2 ASN 84 2HD2 ASN 84 12.574 2.177 -9.008 609 H SER 85 H SER 85 16.842 5.344 -6.561 610 HA SER 85 HA SER 85 18.088 6.969 -5.567 611 1HB SER 85 2HB SER 85 15.318 7.815 -5.409 612 2HB SER 85 1HB SER 85 16.258 8.468 -4.069 613 HG SER 85 HG SER 85 16.405 9.009 -6.773 614 H LEU 86 H LEU 86 17.895 4.522 -4.167 615 HA LEU 86 HA LEU 86 17.322 4.801 -1.436 616 1HB LEU 86 2HB LEU 86 19.417 2.983 -2.616 617 2HB LEU 86 1HB LEU 86 18.545 2.764 -1.109 618 HG LEU 86 HG LEU 86 16.581 2.929 -3.119 619 1HD1 LEU 86 1HD1 LEU 86 17.399 0.862 -4.437 620 2HD1 LEU 86 2HD1 LEU 86 19.008 1.400 -3.956 621 3HD1 LEU 86 3HD1 LEU 86 17.971 2.463 -4.906 622 1HD2 LEU 86 1HD2 LEU 86 16.696 0.304 -2.539 623 2HD2 LEU 86 2HD2 LEU 86 15.979 1.510 -1.470 624 3HD2 LEU 86 3HD2 LEU 86 17.632 0.958 -1.196 625 H LYS 87 H LYS 87 18.557 5.288 0.332 626 HA LYS 87 HA LYS 87 21.271 6.309 -0.125 627 1HB LYS 87 2HB LYS 87 20.398 8.036 1.774 628 2HB LYS 87 1HB LYS 87 20.399 8.390 0.051 629 1HG LYS 87 2HG LYS 87 18.169 8.421 -0.064 630 2HG LYS 87 1HG LYS 87 18.002 6.991 0.957 631 1HD LYS 87 2HD LYS 87 18.433 8.400 2.941 632 2HD LYS 87 1HD LYS 87 18.501 9.818 1.891 633 1HE LYS 87 2HE LYS 87 16.172 9.216 1.129 634 2HE LYS 87 1HE LYS 87 16.142 8.027 2.430 635 1HZ LYS 87 1HZ LYS 87 15.283 10.507 2.729 636 2HZ LYS 87 2HZ LYS 87 16.901 10.739 3.166 637 3HZ LYS 87 3HZ LYS 87 15.953 9.616 4.002 638 H SER 88 H SER 88 18.877 5.766 2.460 639 HA SER 88 HA SER 88 20.393 3.785 3.776 640 1HB SER 88 2HB SER 88 21.928 5.434 4.489 641 2HB SER 88 1HB SER 88 20.649 6.607 4.806 642 HG SER 88 HG SER 88 20.692 4.186 6.225 643 H GLU 89 H GLU 89 17.822 6.033 3.584 644 HA GLU 89 HA GLU 89 16.435 5.269 5.959 645 1HB GLU 89 2HB GLU 89 15.908 7.404 5.111 646 2HB GLU 89 1HB GLU 89 15.674 6.792 3.479 647 1HG GLU 89 2HG GLU 89 13.552 6.130 3.875 648 2HG GLU 89 1HG GLU 89 13.875 5.723 5.560 649 H ASP 90 H ASP 90 16.306 4.302 2.570 650 HA ASP 90 HA ASP 90 14.008 2.775 2.528 651 1HB ASP 90 2HB ASP 90 16.212 1.476 1.111 652 2HB ASP 90 1HB ASP 90 14.715 2.158 0.481 653 H THR 91 H THR 91 17.096 2.076 3.977 654 HA THR 91 HA THR 91 16.868 -0.700 4.316 655 HB THR 91 HB THR 91 18.225 1.249 6.191 656 HG1 THR 91 1HG THR 91 19.506 1.568 4.542 657 1HG2 THR 91 1HG2 THR 91 19.758 -0.805 6.459 658 2HG2 THR 91 2HG2 THR 91 18.412 -1.718 5.780 659 3HG2 THR 91 3HG2 THR 91 18.198 -0.819 7.282 660 H ALA 92 H ALA 92 14.767 -1.232 4.926 661 HA ALA 92 HA ALA 92 14.253 -1.316 7.713 662 1HB ALA 92 1HB ALA 92 13.630 0.975 7.542 663 2HB ALA 92 2HB ALA 92 12.133 0.043 7.637 664 3HB ALA 92 3HB ALA 92 12.683 0.672 6.083 665 H VAL 93 H VAL 93 11.606 -1.712 7.853 666 HA VAL 93 HA VAL 93 11.203 -4.040 6.119 667 HB VAL 93 HB VAL 93 9.519 -3.284 8.506 668 1HG1 VAL 93 1HG1 VAL 93 9.821 -5.655 6.740 669 2HG1 VAL 93 2HG1 VAL 93 8.367 -4.951 7.450 670 3HG1 VAL 93 3HG1 VAL 93 9.446 -5.933 8.441 671 1HG2 VAL 93 1HG2 VAL 93 10.909 -4.803 9.842 672 2HG2 VAL 93 2HG2 VAL 93 11.833 -3.420 9.255 673 3HG2 VAL 93 3HG2 VAL 93 12.008 -4.992 8.475 674 H TYR 94 H TYR 94 9.215 -4.320 4.968 675 HA TYR 94 HA TYR 94 7.677 -1.831 4.685 676 1HB TYR 94 2HB TYR 94 8.681 -3.667 2.524 677 2HB TYR 94 1HB TYR 94 7.382 -2.509 2.248 678 HD1 TYR 94 1HD TYR 94 10.867 -2.676 3.572 679 HD2 TYR 94 2HD TYR 94 7.925 -0.357 1.556 680 HE1 TYR 94 1HE TYR 94 12.529 -0.905 3.202 681 HE2 TYR 94 2HE TYR 94 9.582 1.422 1.175 682 HH TYR 94 HH TYR 94 11.876 2.111 2.506 683 H TYR 95 H TYR 95 5.625 -1.950 4.979 684 HA TYR 95 HA TYR 95 4.299 -4.569 5.087 685 1HB TYR 95 2HB TYR 95 3.312 -1.975 6.290 686 2HB TYR 95 1HB TYR 95 2.737 -3.606 6.627 687 HD1 TYR 95 1HD TYR 95 4.867 -5.212 7.366 688 HD2 TYR 95 2HD TYR 95 4.479 -1.024 7.991 689 HE1 TYR 95 1HE TYR 95 6.430 -5.359 9.259 690 HE2 TYR 95 2HE TYR 95 6.042 -1.156 9.886 691 HH TYR 95 HH TYR 95 7.550 -4.238 10.816 692 H CYS 96 H CYS 96 1.925 -4.479 4.573 693 HA CYS 96 HA CYS 96 1.258 -2.534 2.491 694 1HB CYS 96 2HB CYS 96 0.189 -4.541 1.235 695 2HB CYS 96 1HB CYS 96 1.922 -4.281 1.082 696 H ALA 97 H ALA 97 -0.890 -1.925 2.512 697 HA ALA 97 HA ALA 97 -2.884 -3.517 3.833 698 1HB ALA 97 1HB ALA 97 -3.218 -1.362 5.430 699 2HB ALA 97 2HB ALA 97 -1.459 -1.435 5.321 700 3HB ALA 97 3HB ALA 97 -2.369 -2.835 5.897 701 H LYS 98 H LYS 98 -4.978 -2.391 4.034 702 HA LYS 98 HA LYS 98 -5.417 -0.716 1.686 703 1HB LYS 98 2HB LYS 98 -7.021 -2.327 1.559 704 2HB LYS 98 1HB LYS 98 -7.047 -2.587 3.295 705 1HG LYS 98 2HG LYS 98 -8.221 -0.258 3.346 706 2HG LYS 98 1HG LYS 98 -8.565 -0.617 1.651 707 1HD LYS 98 2HD LYS 98 -9.145 -2.629 3.790 708 2HD LYS 98 1HD LYS 98 -10.280 -1.318 3.458 709 1HE LYS 98 2HE LYS 98 -10.648 -2.058 1.257 710 2HE LYS 98 1HE LYS 98 -9.230 -3.106 1.286 711 1HZ LYS 98 1HZ LYS 98 -11.767 -3.910 1.738 712 2HZ LYS 98 2HZ LYS 98 -11.177 -3.728 3.313 713 3HZ LYS 98 3HZ LYS 98 -10.383 -4.752 2.225 714 H TYR 99 H TYR 99 -6.317 1.301 1.753 715 HA TYR 99 HA TYR 99 -6.054 2.732 4.255 716 1HB TYR 99 2HB TYR 99 -5.769 3.390 1.527 717 2HB TYR 99 1HB TYR 99 -7.133 4.335 2.116 718 HD1 TYR 99 1HD TYR 99 -3.596 3.488 2.949 719 HD2 TYR 99 2HD TYR 99 -6.747 6.333 3.242 720 HE1 TYR 99 1HE TYR 99 -2.037 5.103 3.941 721 HE2 TYR 99 2HE TYR 99 -5.195 7.957 4.241 722 HH TYR 99 HH TYR 99 -3.149 8.225 5.158 723 H SER 100 H SER 100 -7.668 3.326 5.557 724 HA SER 100 HA SER 100 -10.343 3.751 4.616 725 1HB SER 100 2HB SER 100 -9.598 1.186 5.909 726 2HB SER 100 1HB SER 100 -11.086 1.946 6.475 727 HG SER 100 HG SER 100 -10.601 0.633 4.161 728 H GLY 101 H GLY 101 -11.317 5.222 5.874 729 1HA GLY 101 2HA GLY 101 -11.903 6.367 7.816 730 2HA GLY 101 1HA GLY 101 -10.768 5.371 8.715 731 H GLY 102 H GLY 102 -8.899 6.258 6.303 732 1HA GLY 102 2HA GLY 102 -7.745 8.290 5.789 733 2HA GLY 102 1HA GLY 102 -8.285 8.945 7.328 734 H ALA 103 H ALA 103 -7.263 5.766 7.672 735 HA ALA 103 HA ALA 103 -4.461 6.431 8.097 736 1HB ALA 103 1HB ALA 103 -6.103 5.302 10.356 737 2HB ALA 103 2HB ALA 103 -5.670 7.005 10.209 738 3HB ALA 103 3HB ALA 103 -4.408 5.787 10.395 739 H LEU 104 H LEU 104 -3.118 4.725 7.825 740 HA LEU 104 HA LEU 104 -4.250 2.298 6.772 741 1HB LEU 104 2HB LEU 104 -2.109 3.579 6.027 742 2HB LEU 104 1HB LEU 104 -1.330 2.699 7.327 743 HG LEU 104 HG LEU 104 -1.816 0.586 6.279 744 1HD1 LEU 104 1HD1 LEU 104 -2.815 1.132 3.768 745 2HD1 LEU 104 2HD1 LEU 104 -3.781 2.156 4.832 746 3HD1 LEU 104 3HD1 LEU 104 -3.704 0.417 5.113 747 1HD2 LEU 104 1HD2 LEU 104 -0.669 0.931 4.061 748 2HD2 LEU 104 2HD2 LEU 104 0.183 1.553 5.477 749 3HD2 LEU 104 3HD2 LEU 104 -0.692 2.659 4.416 750 H ASP 105 H ASP 105 -3.696 0.152 7.529 751 HA ASP 105 HA ASP 105 -3.414 0.073 10.460 752 1HB ASP 105 2HB ASP 105 -5.326 -1.099 8.692 753 2HB ASP 105 1HB ASP 105 -4.422 -2.394 9.469 754 H ALA 106 H ALA 106 -2.317 -1.329 7.444 755 HA ALA 106 HA ALA 106 -0.451 -2.505 6.891 756 1HB ALA 106 1HB ALA 106 0.687 -0.869 8.361 757 2HB ALA 106 2HB ALA 106 1.478 -2.444 8.313 758 3HB ALA 106 3HB ALA 106 0.491 -1.994 9.705 759 H TRP 107 H TRP 107 -1.343 -4.499 6.552 760 HA TRP 107 HA TRP 107 -1.329 -6.359 8.836 761 1HB TRP 107 2HB TRP 107 -2.823 -6.919 6.295 762 2HB TRP 107 1HB TRP 107 -3.100 -7.570 7.904 763 HD1 TRP 107 HD TRP 107 -3.636 -5.129 9.647 764 HE1 TRP 107 1HE TRP 107 -5.641 -3.571 9.228 765 HE3 TRP 107 3HE TRP 107 -4.489 -6.225 4.736 766 HZ2 TRP 107 2HZ TRP 107 -7.355 -2.894 7.089 767 HZ3 TRP 107 3HZ TRP 107 -6.331 -5.083 3.573 768 HH2 TRP 107 HH TRP 107 -7.731 -3.454 4.726 769 H GLY 108 H GLY 108 0.484 -5.459 6.346 770 1HA GLY 108 2HA GLY 108 1.067 -7.803 4.920 771 2HA GLY 108 1HA GLY 108 2.157 -6.438 5.114 772 H GLN 109 H GLN 109 2.821 -9.246 5.041 773 HA GLN 109 HA GLN 109 3.335 -10.255 7.629 774 1HB GLN 109 2HB GLN 109 3.600 -11.190 5.032 775 2HB GLN 109 1HB GLN 109 5.260 -11.095 5.606 776 1HG GLN 109 2HG GLN 109 3.012 -12.561 6.970 777 2HG GLN 109 1HG GLN 109 4.281 -13.296 5.991 778 1HE2 GLN 109 1HE2 GLN 109 3.381 -12.183 9.066 779 2HE2 GLN 109 2HE2 GLN 109 4.890 -12.442 9.866 780 H GLY 110 H GLY 110 5.009 -7.998 5.583 781 1HA GLY 110 2HA GLY 110 6.583 -6.433 6.380 782 2HA GLY 110 1HA GLY 110 6.896 -7.481 7.755 783 H THR 111 H THR 111 8.042 -6.398 4.801 784 HA THR 111 HA THR 111 9.800 -8.724 4.446 785 HB THR 111 HB THR 111 8.890 -8.267 2.359 786 HG1 THR 111 1HG THR 111 10.622 -7.305 1.166 787 1HG2 THR 111 1HG2 THR 111 9.420 -5.415 2.100 788 2HG2 THR 111 2HG2 THR 111 8.285 -5.782 3.400 789 3HG2 THR 111 3HG2 THR 111 7.949 -6.325 1.756 790 H GLN 112 H GLN 112 11.938 -8.615 4.820 791 HA GLN 112 HA GLN 112 12.976 -6.231 6.083 792 1HB GLN 112 2HB GLN 112 13.511 -8.321 7.123 793 2HB GLN 112 1HB GLN 112 14.142 -8.973 5.618 794 1HG GLN 112 2HG GLN 112 16.107 -8.446 6.588 795 2HG GLN 112 1HG GLN 112 15.766 -6.879 5.858 796 1HE2 GLN 112 1HE2 GLN 112 15.049 -5.182 7.165 797 2HE2 GLN 112 2HE2 GLN 112 15.262 -5.201 8.879 798 H VAL 113 H VAL 113 13.618 -4.636 4.801 799 HA VAL 113 HA VAL 113 15.254 -5.282 2.431 800 HB VAL 113 HB VAL 113 13.634 -2.785 2.972 801 1HG1 VAL 113 1HG1 VAL 113 14.180 -2.289 0.567 802 2HG1 VAL 113 2HG1 VAL 113 15.376 -3.584 0.650 803 3HG1 VAL 113 3HG1 VAL 113 15.535 -2.168 1.690 804 1HG2 VAL 113 1HG2 VAL 113 13.137 -5.215 1.293 805 2HG2 VAL 113 2HG2 VAL 113 12.413 -3.661 0.876 806 3HG2 VAL 113 3HG2 VAL 113 12.059 -4.409 2.433 807 H THR 114 H THR 114 17.287 -4.397 2.250 808 HA THR 114 HA THR 114 18.088 -2.373 4.215 809 HB THR 114 HB THR 114 19.630 -4.938 3.810 810 HG1 THR 114 1HG THR 114 17.733 -4.112 5.679 811 1HG2 THR 114 1HG2 THR 114 20.624 -2.489 4.517 812 2HG2 THR 114 2HG2 THR 114 21.339 -4.039 4.965 813 3HG2 THR 114 3HG2 THR 114 20.262 -3.207 6.087 814 H VAL 115 H VAL 115 20.016 -1.242 3.726 815 HA VAL 115 HA VAL 115 20.935 -1.477 0.934 816 HB VAL 115 HB VAL 115 20.729 1.145 2.407 817 1HG1 VAL 115 1HG1 VAL 115 21.399 0.282 -0.357 818 2HG1 VAL 115 2HG1 VAL 115 22.111 1.554 0.637 819 3HG1 VAL 115 3HG1 VAL 115 20.552 1.814 -0.145 820 1HG2 VAL 115 1HG2 VAL 115 18.681 -0.161 0.624 821 2HG2 VAL 115 2HG2 VAL 115 18.665 1.546 1.066 822 3HG2 VAL 115 3HG2 VAL 115 18.490 0.308 2.313 823 H SER 116 H SER 116 23.053 -1.867 0.805 824 HA SER 116 HA SER 116 24.943 -0.499 2.477 825 1HB SER 116 2HB SER 116 23.980 -3.007 3.366 826 2HB SER 116 1HB SER 116 25.620 -3.275 2.778 827 HG SER 116 HG SER 116 25.675 -1.044 4.164 828 H SER 117 H SER 117 26.301 -3.426 1.661 829 HA SER 117 HA SER 117 27.652 -4.182 0.004 830 1HB SER 117 2HB SER 117 25.879 -4.013 -1.577 831 2HB SER 117 1HB SER 117 26.019 -2.257 -1.651 832 HG SER 117 HG SER 117 27.011 -3.232 -3.447 833 H GLN 118 H GLN 118 27.595 -0.937 0.979 834 HA GLN 118 HA GLN 118 30.410 -0.676 0.696 835 1HB GLN 118 2HB GLN 118 30.378 1.323 -0.794 836 2HB GLN 118 1HB GLN 118 29.933 -0.172 -1.605 837 1HG GLN 118 2HG GLN 118 27.496 0.636 -0.964 838 2HG GLN 118 1HG GLN 118 28.287 2.211 -0.973 839 1HE2 GLN 118 1HE2 GLN 118 28.328 -0.743 -2.945 840 2HE2 GLN 118 2HE2 GLN 118 28.189 0.065 -4.465 841 H SER 119 H SER 119 31.157 1.534 1.402 842 HA SER 119 HA SER 119 29.858 2.233 3.814 843 1HB SER 119 2HB SER 119 32.319 2.470 3.361 844 2HB SER 119 1HB SER 119 31.942 3.860 2.344 845 HG SER 119 HG SER 119 30.694 4.222 4.636 846 H GLU 120 H GLU 120 28.965 4.295 4.404 847 HA GLU 120 HA GLU 120 27.302 5.391 2.278 848 1HB GLU 120 2HB GLU 120 26.290 6.657 4.304 849 2HB GLU 120 1HB GLU 120 25.992 4.932 4.145 850 1HG GLU 120 2HG GLU 120 27.952 4.579 5.694 851 2HG GLU 120 1HG GLU 120 27.908 6.315 5.995 852 H GLN 121 H GLN 121 28.524 6.798 1.096 853 HA GLN 121 HA GLN 121 29.916 8.943 2.548 854 1HB GLN 121 2HB GLN 121 30.813 7.334 0.497 855 2HB GLN 121 1HB GLN 121 30.346 8.805 -0.345 856 1HG GLN 121 2HG GLN 121 31.931 10.083 0.718 857 2HG GLN 121 1HG GLN 121 32.027 9.001 2.106 858 1HE2 GLN 121 1HE2 GLN 121 33.270 9.786 -0.980 859 2HE2 GLN 121 2HE2 GLN 121 34.475 8.551 -1.062 860 H LYS 122 H LYS 122 30.052 10.963 0.866 861 HA LYS 122 HA LYS 122 27.288 11.847 0.663 862 1HB LYS 122 2HB LYS 122 29.289 13.173 1.681 863 2HB LYS 122 1HB LYS 122 29.664 13.555 0.006 864 1HG LYS 122 2HG LYS 122 28.381 15.355 0.620 865 2HG LYS 122 1HG LYS 122 27.172 14.294 -0.101 866 1HD LYS 122 2HD LYS 122 26.084 14.044 1.839 867 2HD LYS 122 1HD LYS 122 27.581 13.790 2.740 868 1HE LYS 122 2HE LYS 122 27.959 16.247 2.684 869 2HE LYS 122 1HE LYS 122 26.380 16.433 1.924 870 1HZ LYS 122 1HZ LYS 122 25.303 15.650 3.848 871 2HZ LYS 122 2HZ LYS 122 26.460 16.752 4.401 872 3HZ LYS 122 3HZ LYS 122 26.743 15.091 4.540 873 H LEU 123 H LEU 123 27.705 9.946 -1.196 874 HA LEU 123 HA LEU 123 28.684 10.757 -3.689 875 1HB LEU 123 2HB LEU 123 27.136 8.563 -2.618 876 2HB LEU 123 1HB LEU 123 26.534 9.035 -4.195 877 HG LEU 123 HG LEU 123 29.289 8.935 -4.542 878 1HD1 LEU 123 1HD1 LEU 123 28.464 6.451 -3.066 879 2HD1 LEU 123 2HD1 LEU 123 29.322 7.781 -2.289 880 3HD1 LEU 123 3HD1 LEU 123 30.073 6.910 -3.626 881 1HD2 LEU 123 1HD2 LEU 123 27.830 8.220 -6.238 882 2HD2 LEU 123 2HD2 LEU 123 27.051 7.038 -5.187 883 3HD2 LEU 123 3HD2 LEU 123 28.703 6.771 -5.742 884 H ILE 124 H ILE 124 27.789 11.778 -5.432 885 HA ILE 124 HA ILE 124 25.559 13.516 -4.897 886 HB ILE 124 HB ILE 124 26.001 14.525 -7.027 887 1HG1 ILE 124 2HG1 ILE 124 28.071 12.416 -7.616 888 2HG1 ILE 124 1HG1 ILE 124 26.403 12.243 -8.150 889 1HG2 ILE 124 1HG2 ILE 124 28.743 14.423 -6.690 890 2HG2 ILE 124 2HG2 ILE 124 28.105 14.039 -5.092 891 3HG2 ILE 124 3HG2 ILE 124 27.630 15.536 -5.894 892 1HD1 ILE 124 1HD1 ILE 124 27.811 14.767 -8.807 893 2HD1 ILE 124 2HD1 ILE 124 26.591 13.877 -9.718 894 3HD1 ILE 124 3HD1 ILE 124 28.259 13.305 -9.687 895 H SER 125 H SER 125 25.488 10.406 -5.486 896 HA SER 125 HA SER 125 24.015 8.920 -6.368 897 1HB SER 125 2HB SER 125 21.792 9.444 -6.130 898 2HB SER 125 1HB SER 125 22.496 10.771 -5.205 899 HG SER 125 HG SER 125 21.626 12.073 -6.587 900 H GLU 126 H GLU 126 22.283 8.754 -8.325 901 HA GLU 126 HA GLU 126 22.099 8.515 -10.577 902 1HB GLU 126 2HB GLU 126 21.637 10.992 -10.260 903 2HB GLU 126 1HB GLU 126 23.297 11.277 -10.767 904 1HG GLU 126 2HG GLU 126 21.690 11.568 -12.592 905 2HG GLU 126 1HG GLU 126 22.856 10.287 -12.918 906 H GLU 127 H GLU 127 24.769 10.696 -11.127 907 HA GLU 127 HA GLU 127 26.404 8.397 -11.981 908 1HB GLU 127 2HB GLU 127 25.767 9.686 -13.904 909 2HB GLU 127 1HB GLU 127 26.226 11.190 -13.116 910 1HG GLU 127 2HG GLU 127 28.211 11.020 -14.071 911 2HG GLU 127 1HG GLU 127 28.521 9.594 -13.080 912 H ASP 128 H ASP 128 28.313 8.126 -11.020 913 HA ASP 128 HA ASP 128 29.447 10.392 -9.516 914 1HB ASP 128 2HB ASP 128 30.423 8.505 -8.028 915 2HB ASP 128 1HB ASP 128 28.735 8.956 -7.816 916 H LEU 129 H LEU 129 30.013 9.621 -12.239 917 HA LEU 129 HA LEU 129 32.894 9.336 -11.996 918 1HB LEU 129 2HB LEU 129 31.107 7.314 -13.259 919 2HB LEU 129 1HB LEU 129 32.651 7.646 -14.023 920 HG LEU 129 HG LEU 129 33.096 7.252 -11.231 921 1HD1 LEU 129 1HD1 LEU 129 31.942 5.433 -10.633 922 2HD1 LEU 129 2HD1 LEU 129 32.093 4.694 -12.227 923 3HD1 LEU 129 3HD1 LEU 129 30.836 5.894 -11.926 924 1HD2 LEU 129 1HD2 LEU 129 34.912 6.725 -12.477 925 2HD2 LEU 129 2HD2 LEU 129 33.950 6.113 -13.822 926 3HD2 LEU 129 3HD2 LEU 129 34.202 5.113 -12.392 927 H ASN 130 H ASN 130 33.506 9.003 -14.676 928 HA ASN 130 HA ASN 130 32.448 11.500 -15.814 929 1HB ASN 130 2HB ASN 130 35.072 10.083 -16.319 930 2HB ASN 130 1HB ASN 130 34.544 11.538 -17.157 931 1HD2 ASN 130 1HD2 ASN 130 33.623 13.185 -15.377 932 2HD2 ASN 130 2HD2 ASN 130 34.770 13.534 -14.134 933 H HIS 131 H HIS 131 33.094 11.318 -18.406 934 HA HIS 131 HA HIS 131 31.296 9.220 -19.346 935 1HB HIS 131 2HB HIS 131 31.617 10.558 -21.564 936 2HB HIS 131 1HB HIS 131 30.625 11.237 -20.278 937 HD1 HIS 131 1HD HIS 131 31.973 13.018 -18.689 938 HD2 HIS 131 2HD HIS 131 33.575 12.217 -22.439 939 HE1 HIS 131 1HE HIS 131 33.546 14.920 -19.168 940 HE2 HIS 131 2HE HIS 131 34.560 14.377 -21.409 941 H HIS 132 H HIS 132 32.036 7.408 -20.206 942 HA HIS 132 HA HIS 132 34.442 7.412 -21.831 943 1HB HIS 132 2HB HIS 132 34.499 6.568 -19.108 944 2HB HIS 132 1HB HIS 132 34.685 5.142 -20.123 945 HD1 HIS 132 1HD HIS 132 36.162 8.661 -20.209 946 HD2 HIS 132 2HD HIS 132 37.305 4.678 -20.525 947 HE1 HIS 132 1HE HIS 132 38.649 8.702 -20.580 948 HE2 HIS 132 2HE HIS 132 39.308 6.285 -20.841 949 H HIS 133 H HIS 133 34.341 5.967 -23.457 950 HA HIS 133 HA HIS 133 33.497 4.421 -24.891 951 1HB HIS 133 2HB HIS 133 33.778 3.137 -22.453 952 2HB HIS 133 1HB HIS 133 32.131 2.744 -22.933 953 HD1 HIS 133 1HD HIS 133 34.193 0.519 -22.818 954 HD2 HIS 133 2HD HIS 133 33.418 2.738 -26.245 955 HE1 HIS 133 1HE HIS 133 34.943 -0.923 -24.737 956 HE2 HIS 133 2HE HIS 133 34.425 0.422 -26.804 957 H HIS 134 H HIS 134 31.327 3.046 -25.284 958 HA HIS 134 HA HIS 134 29.170 3.193 -25.982 959 1HB HIS 134 2HB HIS 134 29.176 3.522 -23.230 960 2HB HIS 134 1HB HIS 134 28.173 4.852 -23.800 961 HD1 HIS 134 1HD HIS 134 25.806 4.293 -24.327 962 HD2 HIS 134 2HD HIS 134 28.218 0.913 -24.188 963 HE1 HIS 134 1HE HIS 134 24.239 2.340 -24.561 964 HE2 HIS 134 2HE HIS 134 25.713 0.303 -24.404 965 H HIS 135 H HIS 135 29.659 4.530 -27.767 966 HA HIS 135 HA HIS 135 29.661 7.373 -27.581 967 1HB HIS 135 2HB HIS 135 30.626 5.740 -29.427 968 2HB HIS 135 1HB HIS 135 29.038 5.978 -30.149 969 HD1 HIS 135 1HD HIS 135 32.097 7.107 -30.904 970 HD2 HIS 135 2HD HIS 135 28.713 9.189 -29.687 971 HE1 HIS 135 1HE HIS 135 32.429 9.465 -31.717 972 HE2 HIS 135 2HE HIS 135 30.338 10.690 -31.027 Start of MODEL 3 1 1H ASP 1 1HT ASP 1 -10.079 -8.007 11.019 2 2H ASP 1 2HT ASP 1 -9.346 -9.461 10.562 3 3H ASP 1 3HT ASP 1 -11.024 -9.389 10.769 4 HA ASP 1 HA ASP 1 -11.384 -8.630 8.733 5 1HB ASP 1 2HB ASP 1 -9.368 -6.714 9.682 6 2HB ASP 1 1HB ASP 1 -9.397 -6.907 7.931 7 H VAL 2 H VAL 2 -9.615 -8.042 6.625 8 HA VAL 2 HA VAL 2 -8.639 -10.697 6.058 9 HB VAL 2 HB VAL 2 -8.707 -10.136 3.868 10 1HG1 VAL 2 1HG1 VAL 2 -10.023 -7.575 4.144 11 2HG1 VAL 2 2HG1 VAL 2 -10.637 -8.755 5.305 12 3HG1 VAL 2 3HG1 VAL 2 -10.663 -9.120 3.579 13 1HG2 VAL 2 1HG2 VAL 2 -8.153 -7.578 3.258 14 2HG2 VAL 2 2HG2 VAL 2 -6.923 -8.833 3.397 15 3HG2 VAL 2 3HG2 VAL 2 -7.224 -7.741 4.748 16 H GLN 3 H GLN 3 -6.483 -11.182 5.368 17 HA GLN 3 HA GLN 3 -4.455 -9.306 6.372 18 1HB GLN 3 2HB GLN 3 -5.011 -11.574 7.692 19 2HB GLN 3 1HB GLN 3 -3.854 -12.206 6.527 20 1HG GLN 3 2HG GLN 3 -2.416 -10.167 7.288 21 2HG GLN 3 1HG GLN 3 -3.453 -10.223 8.712 22 1HE2 GLN 3 1HE2 GLN 3 -0.608 -11.259 7.464 23 2HE2 GLN 3 2HE2 GLN 3 -0.347 -12.658 8.445 24 H LEU 4 H LEU 4 -2.345 -9.526 5.387 25 HA LEU 4 HA LEU 4 -2.408 -10.815 2.745 26 1HB LEU 4 2HB LEU 4 -0.893 -8.332 2.795 27 2HB LEU 4 1HB LEU 4 -2.093 -8.891 1.643 28 HG LEU 4 HG LEU 4 -2.912 -7.780 4.311 29 1HD1 LEU 4 1HD1 LEU 4 -2.048 -5.817 3.738 30 2HD1 LEU 4 2HD1 LEU 4 -3.317 -5.753 2.512 31 3HD1 LEU 4 3HD1 LEU 4 -1.715 -6.351 2.088 32 1HD2 LEU 4 1HD2 LEU 4 -4.611 -7.181 2.083 33 2HD2 LEU 4 2HD2 LEU 4 -4.970 -8.091 3.550 34 3HD2 LEU 4 3HD2 LEU 4 -4.287 -8.913 2.146 35 H GLN 5 H GLN 5 -0.095 -10.660 1.736 36 HA GLN 5 HA GLN 5 1.939 -11.106 3.808 37 1HB GLN 5 2HB GLN 5 2.317 -12.897 1.566 38 2HB GLN 5 1HB GLN 5 2.252 -13.259 3.285 39 1HG GLN 5 2HG GLN 5 0.094 -13.897 3.209 40 2HG GLN 5 1HG GLN 5 -0.332 -12.700 1.989 41 1HE2 GLN 5 1HE2 GLN 5 -0.951 -15.569 2.184 42 2HE2 GLN 5 2HE2 GLN 5 -0.381 -16.267 0.710 43 H ALA 6 H ALA 6 3.575 -9.774 3.451 44 HA ALA 6 HA ALA 6 4.154 -8.960 0.682 45 1HB ALA 6 1HB ALA 6 4.168 -7.519 3.252 46 2HB ALA 6 2HB ALA 6 3.806 -6.941 1.625 47 3HB ALA 6 3HB ALA 6 5.483 -7.132 2.141 48 H SER 7 H SER 7 6.174 -9.159 -0.155 49 HA SER 7 HA SER 7 8.498 -9.667 1.395 50 1HB SER 7 2HB SER 7 7.170 -11.894 1.431 51 2HB SER 7 1HB SER 7 7.667 -12.044 -0.254 52 HG SER 7 HG SER 7 9.068 -12.987 1.476 53 H GLY 8 H GLY 8 10.266 -10.675 -0.240 54 1HA GLY 8 2HA GLY 8 10.983 -10.694 -2.557 55 2HA GLY 8 1HA GLY 8 9.884 -9.354 -2.851 56 H GLY 9 H GLY 9 11.078 -8.523 -0.007 57 1HA GLY 9 2HA GLY 9 12.774 -6.504 -1.028 58 2HA GLY 9 1HA GLY 9 12.591 -6.934 0.666 59 H GLY 10 H GLY 10 15.015 -6.152 -0.074 60 1HA GLY 10 2HA GLY 10 16.633 -8.416 0.525 61 2HA GLY 10 1HA GLY 10 16.790 -7.977 -1.168 62 H LEU 11 H LEU 11 19.069 -7.804 -0.198 63 HA LEU 11 HA LEU 11 19.533 -5.204 1.065 64 1HB LEU 11 2HB LEU 11 20.688 -7.703 1.419 65 2HB LEU 11 1HB LEU 11 21.890 -6.817 0.503 66 HG LEU 11 HG LEU 11 21.014 -5.099 2.575 67 1HD1 LEU 11 1HD1 LEU 11 21.579 -7.911 3.488 68 2HD1 LEU 11 2HD1 LEU 11 20.149 -6.933 3.821 69 3HD1 LEU 11 3HD1 LEU 11 21.702 -6.497 4.536 70 1HD2 LEU 11 1HD2 LEU 11 23.298 -5.053 3.148 71 2HD2 LEU 11 2HD2 LEU 11 23.258 -5.332 1.407 72 3HD2 LEU 11 3HD2 LEU 11 23.575 -6.672 2.508 73 H VAL 12 H VAL 12 19.951 -3.519 -0.187 74 HA VAL 12 HA VAL 12 21.277 -3.976 -2.780 75 HB VAL 12 HB VAL 12 20.116 -2.108 -3.711 76 1HG1 VAL 12 1HG1 VAL 12 18.755 -3.961 -3.952 77 2HG1 VAL 12 2HG1 VAL 12 17.672 -2.793 -3.195 78 3HG1 VAL 12 3HG1 VAL 12 18.415 -4.066 -2.225 79 1HG2 VAL 12 1HG2 VAL 12 18.543 -1.607 -1.227 80 2HG2 VAL 12 2HG2 VAL 12 18.914 -0.519 -2.565 81 3HG2 VAL 12 3HG2 VAL 12 20.156 -0.910 -1.377 82 H GLN 13 H GLN 13 22.026 -1.542 -3.519 83 HA GLN 13 HA GLN 13 23.770 -0.598 -1.339 84 1HB GLN 13 2HB GLN 13 24.321 -0.635 -4.313 85 2HB GLN 13 1HB GLN 13 25.392 0.038 -3.092 86 1HG GLN 13 2HG GLN 13 26.281 -1.944 -2.676 87 2HG GLN 13 1HG GLN 13 24.694 -2.674 -2.439 88 1HE2 GLN 13 1HE2 GLN 13 23.646 -3.633 -4.196 89 2HE2 GLN 13 2HE2 GLN 13 24.503 -4.095 -5.624 90 HA PRO 14 HA PRO 14 21.966 3.422 -1.463 91 1HB PRO 14 2HB PRO 14 24.758 4.426 -1.792 92 2HB PRO 14 1HB PRO 14 23.512 4.926 -0.644 93 1HG PRO 14 2HG PRO 14 25.519 3.366 0.138 94 2HG PRO 14 1HG PRO 14 23.873 3.106 0.748 95 1HD PRO 14 2HD PRO 14 25.418 1.549 -1.269 96 2HD PRO 14 1HD PRO 14 24.216 0.991 -0.090 97 H GLY 15 H GLY 15 20.976 3.189 -3.520 98 1HA GLY 15 2HA GLY 15 20.760 4.773 -5.411 99 2HA GLY 15 1HA GLY 15 22.469 4.499 -5.710 100 H GLY 16 H GLY 16 20.641 1.746 -4.763 101 1HA GLY 16 2HA GLY 16 20.978 0.624 -7.435 102 2HA GLY 16 1HA GLY 16 20.576 -0.266 -5.976 103 H SER 17 H SER 17 18.772 -1.327 -6.620 104 HA SER 17 HA SER 17 16.324 0.115 -6.712 105 1HB SER 17 2HB SER 17 15.832 -0.994 -9.097 106 2HB SER 17 1HB SER 17 16.507 0.627 -8.939 107 HG SER 17 HG SER 17 17.939 -1.780 -9.394 108 H LEU 18 H LEU 18 14.820 -1.163 -5.847 109 HA LEU 18 HA LEU 18 15.055 -4.072 -6.232 110 1HB LEU 18 2HB LEU 18 15.650 -2.799 -3.866 111 2HB LEU 18 1HB LEU 18 13.981 -3.281 -3.630 112 HG LEU 18 HG LEU 18 16.246 -5.142 -4.358 113 1HD1 LEU 18 1HD1 LEU 18 16.188 -5.911 -2.124 114 2HD1 LEU 18 2HD1 LEU 18 14.733 -4.979 -1.765 115 3HD1 LEU 18 3HD1 LEU 18 16.266 -4.151 -2.039 116 1HD2 LEU 18 1HD2 LEU 18 14.334 -6.125 -5.254 117 2HD2 LEU 18 2HD2 LEU 18 13.304 -5.547 -3.944 118 3HD2 LEU 18 3HD2 LEU 18 14.457 -6.850 -3.652 119 H ARG 19 H ARG 19 13.211 -5.086 -6.730 120 HA ARG 19 HA ARG 19 10.726 -3.514 -6.681 121 1HB ARG 19 2HB ARG 19 11.534 -4.378 -8.884 122 2HB ARG 19 1HB ARG 19 11.344 -6.013 -8.268 123 1HG ARG 19 2HG ARG 19 8.963 -5.704 -8.046 124 2HG ARG 19 1HG ARG 19 9.112 -4.007 -8.513 125 1HD ARG 19 2HD ARG 19 9.303 -6.467 -10.177 126 2HD ARG 19 1HD ARG 19 8.483 -4.943 -10.510 127 HE ARG 19 HE ARG 19 11.420 -5.155 -10.572 128 1HH1 ARG 19 1HH1 ARG 19 8.390 -4.283 -12.053 129 2HH1 ARG 19 2HH1 ARG 19 9.131 -3.529 -13.426 130 1HH2 ARG 19 1HH2 ARG 19 12.403 -4.166 -12.374 131 2HH2 ARG 19 2HH2 ARG 19 11.412 -3.464 -13.609 132 H VAL 20 H VAL 20 9.627 -3.915 -4.849 133 HA VAL 20 HA VAL 20 9.533 -6.689 -3.872 134 HB VAL 20 HB VAL 20 9.130 -5.903 -1.708 135 1HG1 VAL 20 1HG1 VAL 20 11.416 -5.445 -2.511 136 2HG1 VAL 20 2HG1 VAL 20 10.899 -4.328 -1.248 137 3HG1 VAL 20 3HG1 VAL 20 10.917 -3.807 -2.932 138 1HG2 VAL 20 1HG2 VAL 20 8.220 -3.377 -3.042 139 2HG2 VAL 20 2HG2 VAL 20 8.701 -3.376 -1.346 140 3HG2 VAL 20 3HG2 VAL 20 7.365 -4.395 -1.884 141 H SER 21 H SER 21 7.540 -7.648 -3.281 142 HA SER 21 HA SER 21 5.142 -6.300 -4.337 143 1HB SER 21 2HB SER 21 4.495 -8.122 -5.598 144 2HB SER 21 1HB SER 21 6.248 -8.228 -5.760 145 HG SER 21 HG SER 21 6.074 -9.658 -3.828 146 H CYS 22 H CYS 22 3.084 -7.334 -3.581 147 HA CYS 22 HA CYS 22 3.256 -8.762 -1.053 148 1HB CYS 22 2HB CYS 22 3.400 -6.414 -0.366 149 2HB CYS 22 1HB CYS 22 1.939 -6.052 -1.274 150 H ALA 23 H ALA 23 1.887 -10.390 -1.287 151 HA ALA 23 HA ALA 23 -0.415 -10.138 -3.031 152 1HB ALA 23 1HB ALA 23 0.496 -12.216 -3.355 153 2HB ALA 23 2HB ALA 23 -0.727 -12.597 -2.142 154 3HB ALA 23 3HB ALA 23 0.959 -12.397 -1.662 155 H ALA 24 H ALA 24 -2.446 -11.434 -2.044 156 HA ALA 24 HA ALA 24 -2.954 -10.957 0.730 157 1HB ALA 24 1HB ALA 24 -3.190 -8.677 0.079 158 2HB ALA 24 2HB ALA 24 -4.811 -9.321 0.352 159 3HB ALA 24 3HB ALA 24 -4.209 -9.114 -1.294 160 H SER 25 H SER 25 -4.932 -11.825 1.445 161 HA SER 25 HA SER 25 -6.478 -13.302 -0.575 162 1HB SER 25 2HB SER 25 -6.132 -14.591 2.077 163 2HB SER 25 1HB SER 25 -6.238 -15.318 0.475 164 HG SER 25 HG SER 25 -4.070 -14.878 1.896 165 H GLY 26 H GLY 26 -8.633 -13.127 -0.380 166 1HA GLY 26 2HA GLY 26 -10.475 -13.183 1.371 167 2HA GLY 26 1HA GLY 26 -9.656 -11.779 2.038 168 H PHE 27 H PHE 27 -9.004 -10.643 -0.566 169 HA PHE 27 HA PHE 27 -11.572 -10.156 -1.828 170 1HB PHE 27 2HB PHE 27 -11.642 -7.807 -1.423 171 2HB PHE 27 1HB PHE 27 -11.407 -8.579 0.140 172 HD1 PHE 27 1HD PHE 27 -9.315 -8.348 1.340 173 HD2 PHE 27 2HD PHE 27 -9.890 -6.487 -2.444 174 HE1 PHE 27 1HE PHE 27 -7.337 -6.938 1.735 175 HE2 PHE 27 2HE PHE 27 -7.916 -5.076 -2.055 176 HZ PHE 27 HZ PHE 27 -6.637 -5.301 0.036 177 H THR 28 H THR 28 -11.101 -8.098 -3.420 178 HA THR 28 HA THR 28 -9.217 -9.122 -5.304 179 HB THR 28 HB THR 28 -10.405 -6.382 -5.558 180 HG1 THR 28 1HG THR 28 -12.032 -8.324 -6.545 181 1HG2 THR 28 1HG2 THR 28 -8.866 -7.749 -7.239 182 2HG2 THR 28 2HG2 THR 28 -10.162 -6.697 -7.807 183 3HG2 THR 28 3HG2 THR 28 -10.422 -8.438 -7.704 184 H PHE 29 H PHE 29 -9.013 -5.781 -5.492 185 HA PHE 29 HA PHE 29 -7.021 -5.144 -3.631 186 1HB PHE 29 2HB PHE 29 -6.016 -6.852 -5.559 187 2HB PHE 29 1HB PHE 29 -5.560 -5.261 -6.159 188 HD1 PHE 29 1HD PHE 29 -5.508 -7.273 -3.021 189 HD2 PHE 29 2HD PHE 29 -3.607 -4.310 -5.412 190 HE1 PHE 29 1HE PHE 29 -3.617 -7.223 -1.449 191 HE2 PHE 29 2HE PHE 29 -1.712 -4.258 -3.844 192 HZ PHE 29 HZ PHE 29 -1.715 -5.717 -1.860 193 H SER 30 H SER 30 -7.695 -4.644 -7.091 194 HA SER 30 HA SER 30 -6.987 -1.956 -7.210 195 1HB SER 30 2HB SER 30 -8.614 -3.795 -8.867 196 2HB SER 30 1HB SER 30 -8.890 -2.071 -9.117 197 HG SER 30 HG SER 30 -6.463 -3.507 -9.372 198 H SER 31 H SER 31 -10.237 -3.359 -6.782 199 HA SER 31 HA SER 31 -11.721 -1.055 -6.615 200 1HB SER 31 2HB SER 31 -12.489 -3.511 -6.527 201 2HB SER 31 1HB SER 31 -12.260 -3.381 -4.784 202 HG SER 31 HG SER 31 -13.621 -1.264 -5.460 203 H TYR 32 H TYR 32 -9.431 -2.234 -4.310 204 HA TYR 32 HA TYR 32 -10.390 -0.293 -2.317 205 1HB TYR 32 2HB TYR 32 -8.776 -2.815 -2.098 206 2HB TYR 32 1HB TYR 32 -8.709 -1.597 -0.828 207 HD1 TYR 32 1HD TYR 32 -10.671 -1.143 0.563 208 HD2 TYR 32 2HD TYR 32 -10.761 -4.143 -2.454 209 HE1 TYR 32 1HE TYR 32 -12.716 -2.076 1.559 210 HE2 TYR 32 2HE TYR 32 -12.806 -5.084 -1.466 211 HH TYR 32 HH TYR 32 -14.580 -3.451 0.997 212 H HIS 33 H HIS 33 -8.709 0.839 -1.059 213 HA HIS 33 HA HIS 33 -6.598 1.801 -2.845 214 1HB HIS 33 2HB HIS 33 -7.498 2.970 -0.203 215 2HB HIS 33 1HB HIS 33 -6.455 3.735 -1.397 216 HD1 HIS 33 1HD HIS 33 -9.822 2.054 -1.939 217 HD2 HIS 33 2HD HIS 33 -7.995 5.765 -2.326 218 HE1 HIS 33 1HE HIS 33 -11.536 3.537 -3.031 219 HE2 HIS 33 2HE HIS 33 -10.400 5.772 -3.276 220 H MET 34 H MET 34 -4.830 0.554 -2.663 221 HA MET 34 HA MET 34 -4.014 -0.440 -0.049 222 1HB MET 34 2HB MET 34 -3.377 -1.118 -2.869 223 2HB MET 34 1HB MET 34 -2.127 -1.417 -1.670 224 1HG MET 34 2HG MET 34 -4.881 -2.383 -1.122 225 2HG MET 34 1HG MET 34 -3.893 -3.251 -2.297 226 1HE MET 34 1HE MET 34 -5.305 -4.020 0.258 227 2HE MET 34 2HE MET 34 -4.306 -4.455 1.643 228 3HE MET 34 3HE MET 34 -4.280 -5.453 0.188 229 H ALA 35 H ALA 35 -1.752 -0.263 0.633 230 HA ALA 35 HA ALA 35 -0.239 1.957 -0.488 231 1HB ALA 35 1HB ALA 35 -0.245 3.337 1.371 232 2HB ALA 35 2HB ALA 35 -0.802 2.057 2.447 233 3HB ALA 35 3HB ALA 35 -1.918 2.786 1.293 234 H TRP 36 H TRP 36 1.943 1.959 0.029 235 HA TRP 36 HA TRP 36 2.916 -0.508 1.304 236 1HB TRP 36 2HB TRP 36 3.987 1.259 -0.855 237 2HB TRP 36 1HB TRP 36 5.132 0.376 0.151 238 HD1 TRP 36 HD TRP 36 2.574 -0.104 -2.589 239 HE1 TRP 36 1HE TRP 36 2.643 -2.534 -3.425 240 HE3 TRP 36 3HE TRP 36 5.737 -2.046 0.917 241 HZ2 TRP 36 2HZ TRP 36 3.932 -4.950 -2.711 242 HZ3 TRP 36 3HZ TRP 36 6.350 -4.424 0.765 243 HH2 TRP 36 HH TRP 36 5.465 -5.844 -1.013 244 H VAL 37 H VAL 37 3.315 -0.192 3.390 245 HA VAL 37 HA VAL 37 4.538 2.328 4.272 246 HB VAL 37 HB VAL 37 3.761 1.864 6.468 247 1HG1 VAL 37 1HG1 VAL 37 1.278 0.899 5.658 248 2HG1 VAL 37 2HG1 VAL 37 1.925 1.739 4.246 249 3HG1 VAL 37 3HG1 VAL 37 1.776 2.587 5.786 250 1HG2 VAL 37 1HG2 VAL 37 4.053 -0.837 5.714 251 2HG2 VAL 37 2HG2 VAL 37 2.368 -0.611 6.186 252 3HG2 VAL 37 3HG2 VAL 37 3.664 -0.184 7.306 253 H ARG 38 H ARG 38 6.147 2.131 6.093 254 HA ARG 38 HA ARG 38 7.638 -0.368 6.129 255 1HB ARG 38 2HB ARG 38 9.479 0.306 5.035 256 2HB ARG 38 1HB ARG 38 8.433 1.536 4.346 257 1HG ARG 38 2HG ARG 38 9.552 2.331 6.908 258 2HG ARG 38 1HG ARG 38 10.783 1.965 5.698 259 1HD ARG 38 2HD ARG 38 9.985 3.588 4.218 260 2HD ARG 38 1HD ARG 38 8.433 3.706 5.047 261 HE ARG 38 HE ARG 38 9.624 4.827 6.871 262 1HH1 ARG 38 1HH1 ARG 38 11.173 4.635 3.759 263 2HH1 ARG 38 2HH1 ARG 38 12.191 6.007 4.037 264 1HH2 ARG 38 1HH2 ARG 38 10.965 6.634 7.249 265 2HH2 ARG 38 2HH2 ARG 38 12.076 7.143 6.022 266 H GLN 39 H GLN 39 9.059 -0.581 7.906 267 HA GLN 39 HA GLN 39 8.747 1.474 9.988 268 1HB GLN 39 2HB GLN 39 7.332 -0.593 10.335 269 2HB GLN 39 1HB GLN 39 8.830 -1.501 10.496 270 1HG GLN 39 2HG GLN 39 9.342 -0.559 12.523 271 2HG GLN 39 1HG GLN 39 8.408 0.901 12.205 272 1HE2 GLN 39 1HE2 GLN 39 6.235 0.936 12.657 273 2HE2 GLN 39 2HE2 GLN 39 5.440 -0.307 13.556 274 H ALA 40 H ALA 40 10.664 2.342 10.387 275 HA ALA 40 HA ALA 40 13.101 0.799 9.957 276 1HB ALA 40 1HB ALA 40 13.035 3.038 9.032 277 2HB ALA 40 2HB ALA 40 14.253 2.952 10.304 278 3HB ALA 40 3HB ALA 40 12.695 3.713 10.625 279 HA PRO 41 HA PRO 41 14.008 -0.328 14.120 280 1HB PRO 41 2HB PRO 41 16.596 1.116 13.757 281 2HB PRO 41 1HB PRO 41 16.297 -0.526 14.338 282 1HG PRO 41 2HG PRO 41 17.190 -0.110 11.868 283 2HG PRO 41 1HG PRO 41 15.986 -1.370 12.200 284 1HD PRO 41 2HD PRO 41 15.633 1.304 10.930 285 2HD PRO 41 1HD PRO 41 14.788 -0.223 10.606 286 H GLY 42 H GLY 42 12.567 0.968 15.265 287 1HA GLY 42 2HA GLY 42 12.337 2.417 17.108 288 2HA GLY 42 1HA GLY 42 13.798 3.255 16.604 289 H LYS 43 H LYS 43 11.035 2.509 14.546 290 HA LYS 43 HA LYS 43 10.493 5.402 14.359 291 1HB LYS 43 2HB LYS 43 11.374 3.732 12.335 292 2HB LYS 43 1HB LYS 43 9.640 3.819 12.059 293 1HG LYS 43 2HG LYS 43 9.935 6.359 12.257 294 2HG LYS 43 1HG LYS 43 11.655 6.031 12.045 295 1HD LYS 43 2HD LYS 43 10.935 6.424 9.873 296 2HD LYS 43 1HD LYS 43 10.898 4.663 9.984 297 1HE LYS 43 2HE LYS 43 8.884 5.569 8.905 298 2HE LYS 43 1HE LYS 43 8.511 4.711 10.399 299 1HZ LYS 43 1HZ LYS 43 7.262 6.729 10.333 300 2HZ LYS 43 2HZ LYS 43 8.645 7.652 10.025 301 3HZ LYS 43 3HZ LYS 43 8.452 6.896 11.525 302 H GLY 44 H GLY 44 8.201 5.547 13.050 303 1HA GLY 44 2HA GLY 44 6.324 3.964 14.697 304 2HA GLY 44 1HA GLY 44 6.040 5.633 14.228 305 H LEU 45 H LEU 45 7.452 3.604 11.854 306 HA LEU 45 HA LEU 45 6.713 2.712 9.903 307 1HB LEU 45 2HB LEU 45 5.267 1.373 11.416 308 2HB LEU 45 1HB LEU 45 4.015 2.587 11.245 309 HG LEU 45 HG LEU 45 4.214 2.074 8.699 310 1HD1 LEU 45 1HD1 LEU 45 5.012 -0.065 8.113 311 2HD1 LEU 45 2HD1 LEU 45 5.221 -0.531 9.801 312 3HD1 LEU 45 3HD1 LEU 45 6.280 0.684 9.084 313 1HD2 LEU 45 1HD2 LEU 45 2.352 0.788 8.902 314 2HD2 LEU 45 2HD2 LEU 45 2.439 1.396 10.555 315 3HD2 LEU 45 3HD2 LEU 45 3.047 -0.215 10.175 316 H GLU 46 H GLU 46 6.450 3.764 8.071 317 HA GLU 46 HA GLU 46 4.629 6.081 8.009 318 1HB GLU 46 2HB GLU 46 6.935 6.769 7.743 319 2HB GLU 46 1HB GLU 46 7.187 5.560 6.490 320 1HG GLU 46 2HG GLU 46 6.963 7.639 5.400 321 2HG GLU 46 1HG GLU 46 5.462 6.753 5.128 322 H TRP 47 H TRP 47 3.142 6.234 6.358 323 HA TRP 47 HA TRP 47 2.428 3.853 5.015 324 1HB TRP 47 2HB TRP 47 0.478 4.919 4.806 325 2HB TRP 47 1HB TRP 47 1.218 6.352 5.503 326 HD1 TRP 47 HD TRP 47 0.886 4.754 1.965 327 HE1 TRP 47 1HE TRP 47 0.614 6.668 0.270 328 HE3 TRP 47 3HE TRP 47 1.242 8.728 5.154 329 HZ2 TRP 47 2HZ TRP 47 0.540 9.486 0.281 330 HZ3 TRP 47 3HZ TRP 47 1.055 11.004 4.234 331 HH2 TRP 47 HH TRP 47 0.711 11.373 1.845 332 H VAL 48 H VAL 48 4.514 6.460 4.179 333 HA VAL 48 HA VAL 48 5.823 6.898 2.386 334 HB VAL 48 HB VAL 48 5.538 3.919 2.163 335 1HG1 VAL 48 1HG1 VAL 48 6.194 3.951 0.029 336 2HG1 VAL 48 2HG1 VAL 48 7.715 4.659 0.577 337 3HG1 VAL 48 3HG1 VAL 48 6.391 5.705 0.062 338 1HG2 VAL 48 1HG2 VAL 48 7.500 3.822 3.284 339 2HG2 VAL 48 2HG2 VAL 48 6.998 5.417 3.846 340 3HG2 VAL 48 3HG2 VAL 48 8.141 5.272 2.508 341 H SER 49 H SER 49 3.888 4.337 0.796 342 HA SER 49 HA SER 49 2.965 6.432 -1.078 343 1HB SER 49 2HB SER 49 3.665 3.601 -1.846 344 2HB SER 49 1HB SER 49 3.269 4.935 -2.929 345 HG SER 49 HG SER 49 5.615 4.306 -2.399 346 H THR 50 H THR 50 0.968 6.277 -1.988 347 HA THR 50 HA THR 50 -0.802 4.080 -1.227 348 HB THR 50 HB THR 50 -1.126 6.925 -0.374 349 HG1 THR 50 1HG THR 50 -1.710 5.948 1.490 350 1HG2 THR 50 1HG2 THR 50 -3.026 6.401 -1.975 351 2HG2 THR 50 2HG2 THR 50 -3.490 6.873 -0.340 352 3HG2 THR 50 3HG2 THR 50 -3.536 5.175 -0.814 353 H ILE 51 H ILE 51 -2.173 3.534 -2.842 354 HA ILE 51 HA ILE 51 -2.277 5.339 -5.171 355 HB ILE 51 HB ILE 51 -1.025 3.292 -5.636 356 1HG1 ILE 51 2HG1 ILE 51 -3.535 2.775 -7.124 357 2HG1 ILE 51 1HG1 ILE 51 -2.903 4.417 -7.213 358 1HG2 ILE 51 1HG2 ILE 51 -2.199 1.113 -5.661 359 2HG2 ILE 51 2HG2 ILE 51 -3.577 1.880 -4.871 360 3HG2 ILE 51 3HG2 ILE 51 -2.022 1.790 -4.042 361 1HD1 ILE 51 1HD1 ILE 51 -2.050 3.204 -9.063 362 2HD1 ILE 51 2HD1 ILE 51 -1.523 1.876 -8.028 363 3HD1 ILE 51 3HD1 ILE 51 -0.720 3.446 -7.930 364 H ASN 52 H ASN 52 -4.215 5.728 -6.161 365 HA ASN 52 HA ASN 52 -6.601 4.669 -4.796 366 1HB ASN 52 2HB ASN 52 -6.526 6.996 -4.370 367 2HB ASN 52 1HB ASN 52 -6.050 7.365 -6.025 368 1HD2 ASN 52 1HD2 ASN 52 -7.577 7.862 -7.449 369 2HD2 ASN 52 2HD2 ASN 52 -9.278 7.717 -7.181 370 HA PRO 53 HA PRO 53 -7.536 2.867 -8.765 371 1HB PRO 53 2HB PRO 53 -9.975 1.888 -8.174 372 2HB PRO 53 1HB PRO 53 -8.492 1.166 -7.537 373 1HG PRO 53 2HG PRO 53 -10.403 3.053 -6.210 374 2HG PRO 53 1HG PRO 53 -9.633 1.598 -5.552 375 1HD PRO 53 2HD PRO 53 -8.730 4.114 -5.045 376 2HD PRO 53 1HD PRO 53 -7.665 2.695 -5.096 377 H GLY 54 H GLY 54 -9.480 2.846 -10.300 378 1HA GLY 54 2HA GLY 54 -11.144 3.935 -11.478 379 2HA GLY 54 1HA GLY 54 -11.311 5.057 -10.137 380 H ASP 55 H ASP 55 -9.446 6.646 -9.918 381 HA ASP 55 HA ASP 55 -9.163 7.993 -12.431 382 1HB ASP 55 2HB ASP 55 -8.154 8.617 -9.653 383 2HB ASP 55 1HB ASP 55 -7.852 9.655 -11.044 384 H GLY 56 H GLY 56 -6.566 7.412 -10.060 385 1HA GLY 56 2HA GLY 56 -4.808 5.768 -10.952 386 2HA GLY 56 1HA GLY 56 -4.775 6.858 -12.331 387 H SER 57 H SER 57 -5.389 8.856 -9.875 388 HA SER 57 HA SER 57 -2.862 10.056 -9.845 389 1HB SER 57 2HB SER 57 -4.942 10.336 -7.670 390 2HB SER 57 1HB SER 57 -3.725 11.517 -8.155 391 HG SER 57 HG SER 57 -5.391 12.233 -9.270 392 H THR 58 H THR 58 -1.905 10.573 -7.464 393 HA THR 58 HA THR 58 -1.691 8.124 -5.905 394 HB THR 58 HB THR 58 0.973 8.905 -6.147 395 HG1 THR 58 1HG THR 58 0.079 8.455 -8.774 396 1HG2 THR 58 1HG2 THR 58 0.902 6.721 -7.684 397 2HG2 THR 58 2HG2 THR 58 -0.712 6.610 -6.977 398 3HG2 THR 58 3HG2 THR 58 0.711 6.658 -5.932 399 H TYR 59 H TYR 59 -0.567 8.394 -3.893 400 HA TYR 59 HA TYR 59 -0.178 11.168 -3.026 401 1HB TYR 59 2HB TYR 59 -1.582 9.195 -1.241 402 2HB TYR 59 1HB TYR 59 -1.523 10.948 -1.110 403 HD1 TYR 59 1HD TYR 59 -3.121 8.108 -2.788 404 HD2 TYR 59 2HD TYR 59 -3.019 12.344 -2.408 405 HE1 TYR 59 1HE TYR 59 -5.284 8.258 -3.948 406 HE2 TYR 59 2HE TYR 59 -5.183 12.506 -3.567 407 HH TYR 59 HH TYR 59 -6.641 9.776 -5.130 408 H TYR 60 H TYR 60 1.762 11.378 -2.122 409 HA TYR 60 HA TYR 60 2.958 9.022 -0.813 410 1HB TYR 60 2HB TYR 60 4.265 11.146 -2.512 411 2HB TYR 60 1HB TYR 60 5.181 10.071 -1.464 412 HD1 TYR 60 1HD TYR 60 5.979 8.079 -2.332 413 HD2 TYR 60 2HD TYR 60 2.655 9.953 -4.213 414 HE1 TYR 60 1HE TYR 60 6.055 6.400 -4.127 415 HE2 TYR 60 2HE TYR 60 2.723 8.277 -6.012 416 HH TYR 60 HH TYR 60 5.299 6.308 -6.596 417 H ALA 61 H ALA 61 4.588 9.558 0.844 418 HA ALA 61 HA ALA 61 3.548 11.475 2.688 419 1HB ALA 61 1HB ALA 61 6.113 10.565 3.514 420 2HB ALA 61 2HB ALA 61 5.244 9.206 2.801 421 3HB ALA 61 3HB ALA 61 4.528 10.107 4.137 422 H ASP 62 H ASP 62 5.110 12.106 0.011 423 HA ASP 62 HA ASP 62 6.162 13.957 -0.781 424 1HB ASP 62 2HB ASP 62 6.277 14.868 2.101 425 2HB ASP 62 1HB ASP 62 6.682 15.852 0.697 426 H SER 63 H SER 63 7.589 12.609 2.172 427 HA SER 63 HA SER 63 10.269 13.240 1.319 428 1HB SER 63 2HB SER 63 9.460 13.104 3.745 429 2HB SER 63 1HB SER 63 9.505 11.353 3.547 430 HG SER 63 HG SER 63 11.795 12.408 2.651 431 H VAL 64 H VAL 64 8.189 11.187 0.075 432 HA VAL 64 HA VAL 64 10.227 9.131 -0.461 433 HB VAL 64 HB VAL 64 8.167 7.607 -0.869 434 1HG1 VAL 64 1HG1 VAL 64 8.079 7.494 1.865 435 2HG1 VAL 64 2HG1 VAL 64 9.623 8.293 1.567 436 3HG1 VAL 64 3HG1 VAL 64 9.293 6.718 0.848 437 1HG2 VAL 64 1HG2 VAL 64 6.173 8.501 -0.476 438 2HG2 VAL 64 2HG2 VAL 64 6.914 9.985 0.123 439 3HG2 VAL 64 3HG2 VAL 64 6.610 8.644 1.227 440 H LYS 65 H LYS 65 8.269 11.535 -1.719 441 HA LYS 65 HA LYS 65 7.473 10.474 -4.193 442 1HB LYS 65 2HB LYS 65 7.963 13.232 -3.148 443 2HB LYS 65 1HB LYS 65 7.761 13.012 -4.881 444 1HG LYS 65 2HG LYS 65 5.778 12.042 -2.840 445 2HG LYS 65 1HG LYS 65 5.683 13.615 -3.633 446 1HD LYS 65 2HD LYS 65 5.946 11.172 -5.322 447 2HD LYS 65 1HD LYS 65 4.381 11.526 -4.583 448 1HE LYS 65 2HE LYS 65 5.346 13.944 -5.671 449 2HE LYS 65 1HE LYS 65 5.598 12.701 -6.894 450 1HZ LYS 65 1HZ LYS 65 3.422 13.734 -7.100 451 2HZ LYS 65 2HZ LYS 65 3.025 13.272 -5.523 452 3HZ LYS 65 3HZ LYS 65 3.270 12.095 -6.712 453 H GLY 66 H GLY 66 8.576 9.956 -5.980 454 1HA GLY 66 2HA GLY 66 10.268 10.066 -7.591 455 2HA GLY 66 1HA GLY 66 11.118 11.226 -6.577 456 H ARG 67 H ARG 67 10.683 9.325 -4.270 457 HA ARG 67 HA ARG 67 13.174 7.916 -4.543 458 1HB ARG 67 2HB ARG 67 12.388 9.014 -2.429 459 2HB ARG 67 1HB ARG 67 11.150 7.775 -2.302 460 1HG ARG 67 2HG ARG 67 12.685 6.783 -0.996 461 2HG ARG 67 1HG ARG 67 13.320 6.220 -2.546 462 1HD ARG 67 2HD ARG 67 15.092 7.145 -1.137 463 2HD ARG 67 1HD ARG 67 14.873 8.090 -2.610 464 HE ARG 67 HE ARG 67 13.490 9.011 -0.217 465 1HH1 ARG 67 1HH1 ARG 67 16.182 9.352 -2.404 466 2HH1 ARG 67 2HH1 ARG 67 16.542 10.972 -1.911 467 1HH2 ARG 67 1HH2 ARG 67 13.952 11.144 0.432 468 2HH2 ARG 67 2HH2 ARG 67 15.274 11.990 -0.298 469 H PHE 68 H PHE 68 9.911 6.843 -3.611 470 HA PHE 68 HA PHE 68 10.506 4.232 -4.833 471 1HB PHE 68 2HB PHE 68 8.528 4.909 -2.647 472 2HB PHE 68 1HB PHE 68 8.802 3.305 -3.313 473 HD1 PHE 68 1HD PHE 68 8.945 3.905 -0.436 474 HD2 PHE 68 2HD PHE 68 11.956 4.069 -3.438 475 HE1 PHE 68 1HE PHE 68 10.665 3.494 1.271 476 HE2 PHE 68 2HE PHE 68 13.681 3.655 -1.733 477 HZ PHE 68 HZ PHE 68 13.031 3.365 0.623 478 H THR 69 H THR 69 8.856 3.164 -5.992 479 HA THR 69 HA THR 69 6.739 4.944 -7.011 480 HB THR 69 HB THR 69 8.306 2.820 -8.490 481 HG1 THR 69 1HG THR 69 9.408 4.538 -9.034 482 1HG2 THR 69 1HG2 THR 69 6.004 4.442 -9.572 483 2HG2 THR 69 2HG2 THR 69 5.842 2.779 -9.004 484 3HG2 THR 69 3HG2 THR 69 6.881 3.145 -10.382 485 H ILE 70 H ILE 70 4.804 4.321 -6.412 486 HA ILE 70 HA ILE 70 4.370 1.527 -5.668 487 HB ILE 70 HB ILE 70 3.860 3.532 -4.134 488 1HG1 ILE 70 2HG1 ILE 70 2.757 0.967 -4.379 489 2HG1 ILE 70 1HG1 ILE 70 2.795 1.983 -2.942 490 1HG2 ILE 70 1HG2 ILE 70 1.452 3.680 -5.933 491 2HG2 ILE 70 2HG2 ILE 70 2.675 4.927 -5.687 492 3HG2 ILE 70 3HG2 ILE 70 1.598 4.475 -4.365 493 1HD1 ILE 70 1HD1 ILE 70 0.574 1.373 -3.143 494 2HD1 ILE 70 2HD1 ILE 70 0.573 1.577 -4.897 495 3HD1 ILE 70 3HD1 ILE 70 0.623 2.990 -3.843 496 H SER 71 H SER 71 3.288 0.222 -6.953 497 HA SER 71 HA SER 71 1.344 1.330 -8.851 498 1HB SER 71 2HB SER 71 3.039 1.000 -10.373 499 2HB SER 71 1HB SER 71 3.769 -0.304 -9.438 500 HG SER 71 HG SER 71 2.260 -1.708 -10.211 501 H ARG 72 H ARG 72 -0.045 -0.396 -9.814 502 HA ARG 72 HA ARG 72 -0.353 -2.783 -8.159 503 1HB ARG 72 2HB ARG 72 -1.808 -0.544 -7.555 504 2HB ARG 72 1HB ARG 72 -2.894 -1.385 -8.652 505 1HG ARG 72 2HG ARG 72 -2.703 -3.396 -7.228 506 2HG ARG 72 1HG ARG 72 -1.720 -2.460 -6.099 507 1HD ARG 72 2HD ARG 72 -4.230 -2.682 -5.612 508 2HD ARG 72 1HD ARG 72 -3.501 -1.082 -5.500 509 HE ARG 72 HE ARG 72 -4.880 -1.910 -7.959 510 1HH1 ARG 72 1HH1 ARG 72 -4.600 0.210 -5.205 511 2HH1 ARG 72 2HH1 ARG 72 -5.738 1.363 -5.817 512 1HH2 ARG 72 1HH2 ARG 72 -6.376 -0.395 -8.769 513 2HH2 ARG 72 2HH2 ARG 72 -6.747 1.020 -7.841 514 H ASP 73 H ASP 73 -1.990 -4.278 -9.060 515 HA ASP 73 HA ASP 73 -2.128 -4.029 -11.992 516 1HB ASP 73 2HB ASP 73 -0.727 -5.912 -10.883 517 2HB ASP 73 1HB ASP 73 -2.284 -6.651 -10.527 518 H ASN 74 H ASN 74 -4.073 -4.078 -12.941 519 HA ASN 74 HA ASN 74 -6.425 -4.260 -11.247 520 1HB ASN 74 2HB ASN 74 -6.029 -3.460 -14.132 521 2HB ASN 74 1HB ASN 74 -7.613 -3.557 -13.370 522 1HD2 ASN 74 1HD2 ASN 74 -4.484 -1.969 -13.237 523 2HD2 ASN 74 2HD2 ASN 74 -5.039 -0.531 -12.457 524 H ALA 75 H ALA 75 -4.923 -6.700 -11.800 525 HA ALA 75 HA ALA 75 -7.153 -8.294 -12.772 526 1HB ALA 75 1HB ALA 75 -5.223 -9.602 -14.105 527 2HB ALA 75 2HB ALA 75 -4.625 -7.948 -14.249 528 3HB ALA 75 3HB ALA 75 -6.238 -8.356 -14.833 529 H LYS 76 H LYS 76 -5.339 -7.793 -10.307 530 HA LYS 76 HA LYS 76 -5.496 -10.430 -9.289 531 1HB LYS 76 2HB LYS 76 -2.929 -10.540 -8.851 532 2HB LYS 76 1HB LYS 76 -3.570 -11.081 -10.395 533 1HG LYS 76 2HG LYS 76 -2.615 -9.384 -11.547 534 2HG LYS 76 1HG LYS 76 -2.769 -8.242 -10.211 535 1HD LYS 76 2HD LYS 76 -0.617 -8.564 -9.754 536 2HD LYS 76 1HD LYS 76 -0.994 -10.237 -9.337 537 1HE LYS 76 2HE LYS 76 -0.898 -10.048 -12.163 538 2HE LYS 76 1HE LYS 76 0.534 -9.242 -11.524 539 1HZ LYS 76 1HZ LYS 76 -0.305 -12.050 -11.189 540 2HZ LYS 76 2HZ LYS 76 0.764 -11.334 -10.092 541 3HZ LYS 76 3HZ LYS 76 1.180 -11.443 -11.728 542 H ASN 77 H ASN 77 -4.468 -10.594 -7.086 543 HA ASN 77 HA ASN 77 -4.821 -8.032 -5.701 544 1HB ASN 77 2HB ASN 77 -4.686 -9.833 -3.694 545 2HB ASN 77 1HB ASN 77 -6.182 -9.420 -4.523 546 1HD2 ASN 77 1HD2 ASN 77 -7.314 -11.218 -4.681 547 2HD2 ASN 77 2HD2 ASN 77 -6.728 -12.735 -5.261 548 H THR 78 H THR 78 -2.653 -7.319 -6.357 549 HA THR 78 HA THR 78 -0.688 -8.105 -4.372 550 HB THR 78 HB THR 78 0.438 -8.018 -7.110 551 HG1 THR 78 1HG THR 78 -0.049 -10.356 -7.240 552 1HG2 THR 78 1HG2 THR 78 2.195 -8.891 -6.046 553 2HG2 THR 78 2HG2 THR 78 1.220 -10.219 -5.416 554 3HG2 THR 78 3HG2 THR 78 1.305 -8.693 -4.536 555 H LEU 79 H LEU 79 0.791 -6.544 -3.895 556 HA LEU 79 HA LEU 79 0.437 -3.950 -5.238 557 1HB LEU 79 2HB LEU 79 0.324 -4.672 -2.513 558 2HB LEU 79 1HB LEU 79 1.816 -3.776 -2.712 559 HG LEU 79 HG LEU 79 -0.982 -2.843 -3.233 560 1HD1 LEU 79 1HD1 LEU 79 -0.095 -0.947 -1.732 561 2HD1 LEU 79 2HD1 LEU 79 1.167 -2.105 -1.307 562 3HD1 LEU 79 3HD1 LEU 79 -0.524 -2.492 -0.997 563 1HD2 LEU 79 1HD2 LEU 79 1.423 -1.175 -3.826 564 2HD2 LEU 79 2HD2 LEU 79 -0.260 -0.888 -4.266 565 3HD2 LEU 79 3HD2 LEU 79 0.650 -2.172 -5.059 566 H TYR 80 H TYR 80 2.256 -2.759 -5.842 567 HA TYR 80 HA TYR 80 4.848 -4.107 -5.534 568 1HB TYR 80 2HB TYR 80 3.779 -2.885 -8.086 569 2HB TYR 80 1HB TYR 80 5.406 -3.520 -7.866 570 HD1 TYR 80 1HD TYR 80 5.857 -5.793 -8.185 571 HD2 TYR 80 2HD TYR 80 1.824 -4.487 -7.842 572 HE1 TYR 80 1HE TYR 80 5.087 -8.030 -8.837 573 HE2 TYR 80 2HE TYR 80 1.034 -6.718 -8.489 574 HH TYR 80 HH TYR 80 1.681 -8.903 -8.744 575 H LEU 81 H LEU 81 6.662 -2.794 -5.523 576 HA LEU 81 HA LEU 81 6.388 0.059 -5.780 577 1HB LEU 81 2HB LEU 81 5.668 -0.269 -3.469 578 2HB LEU 81 1HB LEU 81 7.141 -1.146 -3.115 579 HG LEU 81 HG LEU 81 8.263 1.125 -3.945 580 1HD1 LEU 81 1HD1 LEU 81 5.473 1.765 -3.746 581 2HD1 LEU 81 2HD1 LEU 81 6.817 2.775 -4.276 582 3HD1 LEU 81 3HD1 LEU 81 6.395 2.697 -2.563 583 1HD2 LEU 81 1HD2 LEU 81 7.712 -0.077 -1.468 584 2HD2 LEU 81 2HD2 LEU 81 7.350 1.641 -1.287 585 3HD2 LEU 81 3HD2 LEU 81 8.946 1.130 -1.839 586 H GLN 82 H GLN 82 8.245 0.984 -6.435 587 HA GLN 82 HA GLN 82 10.574 -0.785 -6.667 588 1HB GLN 82 2HB GLN 82 9.742 0.046 -8.786 589 2HB GLN 82 1HB GLN 82 9.803 1.703 -8.201 590 1HG GLN 82 2HG GLN 82 11.659 1.190 -9.700 591 2HG GLN 82 1HG GLN 82 12.215 1.610 -8.081 592 1HE2 GLN 82 1HE2 GLN 82 11.718 -1.003 -10.351 593 2HE2 GLN 82 2HE2 GLN 82 12.802 -2.119 -9.602 594 H MET 83 H MET 83 12.075 -0.499 -5.195 595 HA MET 83 HA MET 83 12.342 2.021 -3.794 596 1HB MET 83 2HB MET 83 14.133 -0.342 -3.371 597 2HB MET 83 1HB MET 83 13.601 0.863 -2.209 598 1HG MET 83 2HG MET 83 11.402 -0.669 -3.325 599 2HG MET 83 1HG MET 83 12.593 -1.676 -2.504 600 1HE MET 83 1HE MET 83 10.289 -2.220 -0.660 601 2HE MET 83 2HE MET 83 11.111 -1.698 0.811 602 3HE MET 83 3HE MET 83 12.028 -2.461 -0.488 603 H ASN 84 H ASN 84 13.261 3.482 -5.160 604 HA ASN 84 HA ASN 84 15.954 2.834 -6.164 605 1HB ASN 84 2HB ASN 84 13.721 3.655 -7.637 606 2HB ASN 84 1HB ASN 84 14.729 5.093 -7.504 607 1HD2 ASN 84 1HD2 ASN 84 14.056 2.796 -9.554 608 2HD2 ASN 84 2HD2 ASN 84 15.594 2.513 -10.286 609 H SER 85 H SER 85 17.342 4.827 -6.447 610 HA SER 85 HA SER 85 18.495 6.524 -5.463 611 1HB SER 85 2HB SER 85 15.704 7.383 -5.587 612 2HB SER 85 1HB SER 85 16.609 8.192 -4.308 613 HG SER 85 HG SER 85 16.666 9.172 -6.479 614 H LEU 86 H LEU 86 18.343 4.271 -3.915 615 HA LEU 86 HA LEU 86 17.403 4.618 -1.300 616 1HB LEU 86 2HB LEU 86 19.780 2.984 -2.194 617 2HB LEU 86 1HB LEU 86 18.899 2.790 -0.694 618 HG LEU 86 HG LEU 86 18.081 1.052 -1.986 619 1HD1 LEU 86 1HD1 LEU 86 16.142 2.034 -1.165 620 2HD1 LEU 86 2HD1 LEU 86 15.806 1.833 -2.885 621 3HD1 LEU 86 3HD1 LEU 86 16.262 3.415 -2.254 622 1HD2 LEU 86 1HD2 LEU 86 18.640 2.863 -4.227 623 2HD2 LEU 86 2HD2 LEU 86 17.236 1.817 -4.438 624 3HD2 LEU 86 3HD2 LEU 86 18.818 1.113 -4.103 625 H LYS 87 H LYS 87 18.414 5.263 0.610 626 HA LYS 87 HA LYS 87 21.098 6.306 0.587 627 1HB LYS 87 2HB LYS 87 20.239 8.586 1.434 628 2HB LYS 87 1HB LYS 87 20.211 8.275 -0.295 629 1HG LYS 87 2HG LYS 87 18.091 8.932 -0.234 630 2HG LYS 87 1HG LYS 87 17.744 7.386 0.542 631 1HD LYS 87 2HD LYS 87 17.179 8.408 2.435 632 2HD LYS 87 1HD LYS 87 18.726 9.257 2.484 633 1HE LYS 87 2HE LYS 87 16.884 10.340 0.504 634 2HE LYS 87 1HE LYS 87 16.251 10.414 2.148 635 1HZ LYS 87 1HZ LYS 87 17.855 11.862 2.800 636 2HZ LYS 87 2HZ LYS 87 17.779 12.298 1.167 637 3HZ LYS 87 3HZ LYS 87 19.011 11.275 1.713 638 H SER 88 H SER 88 20.249 4.270 2.074 639 HA SER 88 HA SER 88 20.233 3.459 4.194 640 1HB SER 88 2HB SER 88 20.749 6.236 5.240 641 2HB SER 88 1HB SER 88 21.256 4.691 5.924 642 HG SER 88 HG SER 88 22.312 6.114 3.748 643 H GLU 89 H GLU 89 17.988 5.429 2.981 644 HA GLU 89 HA GLU 89 16.383 5.728 5.401 645 1HB GLU 89 2HB GLU 89 16.210 7.655 4.104 646 2HB GLU 89 1HB GLU 89 16.200 6.759 2.592 647 1HG GLU 89 2HG GLU 89 14.007 7.007 2.544 648 2HG GLU 89 1HG GLU 89 13.903 5.939 3.942 649 H ASP 90 H ASP 90 16.469 3.969 2.372 650 HA ASP 90 HA ASP 90 13.930 2.736 2.576 651 1HB ASP 90 2HB ASP 90 14.906 2.744 0.432 652 2HB ASP 90 1HB ASP 90 16.441 2.126 1.032 653 H THR 91 H THR 91 16.904 2.197 4.177 654 HA THR 91 HA THR 91 16.778 -0.554 4.708 655 HB THR 91 HB THR 91 17.862 1.446 6.676 656 HG1 THR 91 1HG THR 91 19.850 1.090 5.286 657 1HG2 THR 91 1HG2 THR 91 18.480 -0.468 7.657 658 2HG2 THR 91 2HG2 THR 91 19.645 -0.638 6.344 659 3HG2 THR 91 3HG2 THR 91 18.069 -1.423 6.233 660 H ALA 92 H ALA 92 14.760 -1.272 5.295 661 HA ALA 92 HA ALA 92 14.074 -1.234 8.014 662 1HB ALA 92 1HB ALA 92 13.381 1.082 7.514 663 2HB ALA 92 2HB ALA 92 12.032 0.063 8.020 664 3HB ALA 92 3HB ALA 92 12.245 0.460 6.316 665 H VAL 93 H VAL 93 11.375 -1.729 7.968 666 HA VAL 93 HA VAL 93 11.211 -4.094 6.213 667 HB VAL 93 HB VAL 93 9.645 -3.627 8.758 668 1HG1 VAL 93 1HG1 VAL 93 9.988 -5.962 6.895 669 2HG1 VAL 93 2HG1 VAL 93 8.497 -5.178 7.413 670 3HG1 VAL 93 3HG1 VAL 93 9.418 -6.161 8.552 671 1HG2 VAL 93 1HG2 VAL 93 11.790 -3.834 9.595 672 2HG2 VAL 93 2HG2 VAL 93 12.308 -4.906 8.293 673 3HG2 VAL 93 3HG2 VAL 93 11.246 -5.512 9.565 674 H TYR 94 H TYR 94 9.717 -4.053 4.637 675 HA TYR 94 HA TYR 94 7.697 -1.930 4.773 676 1HB TYR 94 2HB TYR 94 8.872 -3.414 2.427 677 2HB TYR 94 1HB TYR 94 7.504 -2.313 2.289 678 HD1 TYR 94 1HD TYR 94 10.981 -2.393 3.655 679 HD2 TYR 94 2HD TYR 94 7.929 -0.094 1.782 680 HE1 TYR 94 1HE TYR 94 12.531 -0.496 3.472 681 HE2 TYR 94 2HE TYR 94 9.474 1.813 1.597 682 HH TYR 94 HH TYR 94 11.982 2.312 3.256 683 H TYR 95 H TYR 95 5.586 -2.259 4.501 684 HA TYR 95 HA TYR 95 4.587 -4.982 4.092 685 1HB TYR 95 2HB TYR 95 3.121 -3.258 6.030 686 2HB TYR 95 1HB TYR 95 3.262 -5.009 5.972 687 HD1 TYR 95 1HD TYR 95 4.865 -1.897 7.121 688 HD2 TYR 95 2HD TYR 95 5.028 -6.150 7.125 689 HE1 TYR 95 1HE TYR 95 6.513 -1.826 8.938 690 HE2 TYR 95 2HE TYR 95 6.681 -6.088 8.944 691 HH TYR 95 HH TYR 95 7.321 -3.310 10.752 692 H CYS 96 H CYS 96 2.210 -4.941 3.587 693 HA CYS 96 HA CYS 96 1.395 -2.442 2.279 694 1HB CYS 96 2HB CYS 96 0.940 -3.450 0.272 695 2HB CYS 96 1HB CYS 96 2.260 -4.492 0.791 696 H ALA 97 H ALA 97 -0.803 -1.968 2.449 697 HA ALA 97 HA ALA 97 -2.573 -3.962 3.602 698 1HB ALA 97 1HB ALA 97 -1.692 -3.230 5.630 699 2HB ALA 97 2HB ALA 97 -3.207 -2.343 5.465 700 3HB ALA 97 3HB ALA 97 -1.673 -1.542 5.120 701 H LYS 98 H LYS 98 -4.779 -3.164 3.934 702 HA LYS 98 HA LYS 98 -5.611 -1.566 1.665 703 1HB LYS 98 2HB LYS 98 -6.926 -3.491 1.935 704 2HB LYS 98 1HB LYS 98 -7.008 -3.308 3.678 705 1HG LYS 98 2HG LYS 98 -8.233 -1.024 2.647 706 2HG LYS 98 1HG LYS 98 -8.811 -2.361 1.652 707 1HD LYS 98 2HD LYS 98 -10.338 -2.443 3.357 708 2HD LYS 98 1HD LYS 98 -9.103 -3.529 4.000 709 1HE LYS 98 2HE LYS 98 -8.698 -2.181 5.726 710 2HE LYS 98 1HE LYS 98 -8.554 -0.772 4.675 711 1HZ LYS 98 1HZ LYS 98 -10.392 -0.153 5.794 712 2HZ LYS 98 2HZ LYS 98 -10.845 -1.735 6.183 713 3HZ LYS 98 3HZ LYS 98 -11.180 -1.115 4.647 714 H TYR 99 H TYR 99 -6.733 0.372 1.776 715 HA TYR 99 HA TYR 99 -6.315 1.888 4.220 716 1HB TYR 99 2HB TYR 99 -6.354 2.513 1.450 717 2HB TYR 99 1HB TYR 99 -7.652 3.426 2.212 718 HD1 TYR 99 1HD TYR 99 -7.163 5.136 3.876 719 HD2 TYR 99 2HD TYR 99 -4.033 2.943 2.007 720 HE1 TYR 99 1HE TYR 99 -5.529 6.779 4.699 721 HE2 TYR 99 2HE TYR 99 -2.392 4.581 2.823 722 HH TYR 99 HH TYR 99 -2.336 6.923 3.563 723 H SER 100 H SER 100 -7.938 3.005 5.329 724 HA SER 100 HA SER 100 -10.675 2.027 4.839 725 1HB SER 100 2HB SER 100 -10.095 2.856 7.590 726 2HB SER 100 1HB SER 100 -10.899 1.403 6.998 727 HG SER 100 HG SER 100 -8.933 0.895 8.023 728 H GLY 101 H GLY 101 -8.701 4.669 6.134 729 1HA GLY 101 2HA GLY 101 -10.703 6.571 5.183 730 2HA GLY 101 1HA GLY 101 -10.336 6.599 6.901 731 H GLY 102 H GLY 102 -8.102 7.037 7.534 732 1HA GLY 102 2HA GLY 102 -6.589 8.503 5.471 733 2HA GLY 102 1HA GLY 102 -6.919 9.244 7.030 734 H ALA 103 H ALA 103 -6.500 6.001 7.536 735 HA ALA 103 HA ALA 103 -3.585 6.206 7.838 736 1HB ALA 103 1HB ALA 103 -4.135 4.843 10.067 737 2HB ALA 103 2HB ALA 103 -5.598 5.824 9.974 738 3HB ALA 103 3HB ALA 103 -4.016 6.602 10.030 739 H LEU 104 H LEU 104 -2.513 4.116 8.070 740 HA LEU 104 HA LEU 104 -4.070 1.975 6.782 741 1HB LEU 104 2HB LEU 104 -1.992 3.009 5.637 742 2HB LEU 104 1HB LEU 104 -1.070 2.080 6.808 743 HG LEU 104 HG LEU 104 -2.217 0.015 5.973 744 1HD1 LEU 104 1HD1 LEU 104 -3.146 0.356 3.589 745 2HD1 LEU 104 2HD1 LEU 104 -3.391 2.024 4.107 746 3HD1 LEU 104 3HD1 LEU 104 -4.181 0.705 4.974 747 1HD2 LEU 104 1HD2 LEU 104 -0.214 -0.044 4.985 748 2HD2 LEU 104 2HD2 LEU 104 -0.293 1.652 4.502 749 3HD2 LEU 104 3HD2 LEU 104 -1.100 0.420 3.533 750 H ASP 105 H ASP 105 -3.556 -0.223 7.346 751 HA ASP 105 HA ASP 105 -2.983 -0.479 10.205 752 1HB ASP 105 2HB ASP 105 -4.959 -1.581 8.567 753 2HB ASP 105 1HB ASP 105 -3.851 -2.912 8.883 754 H ALA 106 H ALA 106 -1.550 -0.882 7.215 755 HA ALA 106 HA ALA 106 0.526 -1.541 6.610 756 1HB ALA 106 1HB ALA 106 0.964 -2.591 9.382 757 2HB ALA 106 2HB ALA 106 1.138 -0.892 8.941 758 3HB ALA 106 3HB ALA 106 2.176 -2.109 8.194 759 H TRP 107 H TRP 107 -0.793 -4.032 8.802 760 HA TRP 107 HA TRP 107 -0.824 -6.314 8.619 761 1HB TRP 107 2HB TRP 107 -1.683 -5.549 5.818 762 2HB TRP 107 1HB TRP 107 -1.948 -7.117 6.572 763 HD1 TRP 107 HD TRP 107 -2.631 -5.134 9.377 764 HE1 TRP 107 1HE TRP 107 -5.109 -4.456 9.567 765 HE3 TRP 107 3HE TRP 107 -4.090 -6.078 4.583 766 HZ2 TRP 107 2HZ TRP 107 -7.382 -4.325 7.887 767 HZ3 TRP 107 3HZ TRP 107 -6.426 -5.645 3.946 768 HH2 TRP 107 HH TRP 107 -8.038 -4.789 5.567 769 H GLY 108 H GLY 108 -0.435 -7.816 6.099 770 1HA GLY 108 2HA GLY 108 1.239 -8.741 4.826 771 2HA GLY 108 1HA GLY 108 2.212 -7.318 5.156 772 H GLN 109 H GLN 109 3.472 -9.682 5.038 773 HA GLN 109 HA GLN 109 3.700 -10.842 7.677 774 1HB GLN 109 2HB GLN 109 4.881 -11.413 4.991 775 2HB GLN 109 1HB GLN 109 5.664 -12.065 6.424 776 1HG GLN 109 2HG GLN 109 3.328 -12.954 7.030 777 2HG GLN 109 1HG GLN 109 2.940 -12.645 5.338 778 1HE2 GLN 109 1HE2 GLN 109 2.631 -14.835 4.936 779 2HE2 GLN 109 2HE2 GLN 109 3.953 -15.940 4.814 780 H GLY 110 H GLY 110 5.609 -8.750 5.561 781 1HA GLY 110 2HA GLY 110 6.914 -6.995 6.668 782 2HA GLY 110 1HA GLY 110 7.340 -8.185 7.887 783 H THR 111 H THR 111 8.003 -6.962 4.702 784 HA THR 111 HA THR 111 10.040 -8.969 4.192 785 HB THR 111 HB THR 111 8.774 -8.164 2.275 786 HG1 THR 111 1HG THR 111 10.945 -8.732 1.890 787 1HG2 THR 111 1HG2 THR 111 9.287 -5.781 1.483 788 2HG2 THR 111 2HG2 THR 111 9.790 -5.474 3.145 789 3HG2 THR 111 3HG2 THR 111 8.133 -5.969 2.803 790 H GLN 112 H GLN 112 12.116 -8.781 4.724 791 HA GLN 112 HA GLN 112 12.998 -6.401 6.106 792 1HB GLN 112 2HB GLN 112 13.487 -8.804 6.811 793 2HB GLN 112 1HB GLN 112 14.666 -8.835 5.508 794 1HG GLN 112 2HG GLN 112 15.748 -8.340 7.605 795 2HG GLN 112 1HG GLN 112 15.836 -6.945 6.531 796 1HE2 GLN 112 1HE2 GLN 112 15.672 -5.150 7.654 797 2HE2 GLN 112 2HE2 GLN 112 14.587 -4.861 8.967 798 H VAL 113 H VAL 113 13.643 -4.734 4.942 799 HA VAL 113 HA VAL 113 15.323 -5.215 2.569 800 HB VAL 113 HB VAL 113 13.702 -2.746 3.221 801 1HG1 VAL 113 1HG1 VAL 113 14.464 -1.791 1.291 802 2HG1 VAL 113 2HG1 VAL 113 14.775 -3.343 0.513 803 3HG1 VAL 113 3HG1 VAL 113 15.886 -2.731 1.738 804 1HG2 VAL 113 1HG2 VAL 113 12.445 -3.598 1.104 805 2HG2 VAL 113 2HG2 VAL 113 12.067 -4.284 2.684 806 3HG2 VAL 113 3HG2 VAL 113 13.110 -5.164 1.567 807 H THR 114 H THR 114 17.364 -4.418 2.545 808 HA THR 114 HA THR 114 18.114 -2.426 4.566 809 HB THR 114 HB THR 114 19.900 -4.794 4.084 810 HG1 THR 114 1HG THR 114 18.931 -5.835 5.800 811 1HG2 THR 114 1HG2 THR 114 20.207 -2.400 5.456 812 2HG2 THR 114 2HG2 THR 114 21.214 -3.839 5.622 813 3HG2 THR 114 3HG2 THR 114 19.858 -3.580 6.720 814 H VAL 115 H VAL 115 20.065 -1.295 4.128 815 HA VAL 115 HA VAL 115 20.988 -1.479 1.335 816 HB VAL 115 HB VAL 115 20.859 1.128 2.831 817 1HG1 VAL 115 1HG1 VAL 115 20.495 1.213 -0.027 818 2HG1 VAL 115 2HG1 VAL 115 21.970 0.344 0.397 819 3HG1 VAL 115 3HG1 VAL 115 21.720 1.992 0.973 820 1HG2 VAL 115 1HG2 VAL 115 18.785 1.218 1.024 821 2HG2 VAL 115 2HG2 VAL 115 18.630 1.023 2.770 822 3HG2 VAL 115 3HG2 VAL 115 18.641 -0.396 1.722 823 H SER 116 H SER 116 23.170 -1.258 0.987 824 HA SER 116 HA SER 116 24.943 -0.340 3.061 825 1HB SER 116 2HB SER 116 26.116 -2.383 3.471 826 2HB SER 116 1HB SER 116 24.402 -2.729 3.699 827 HG SER 116 HG SER 116 25.005 -3.139 1.143 828 H SER 117 H SER 117 27.090 -0.047 2.352 829 HA SER 117 HA SER 117 27.427 -0.260 -0.567 830 1HB SER 117 2HB SER 117 27.589 1.997 -0.424 831 2HB SER 117 1HB SER 117 27.894 1.961 1.312 832 HG SER 117 HG SER 117 29.757 1.516 -0.780 833 H GLN 118 H GLN 118 28.750 -1.898 -1.002 834 HA GLN 118 HA GLN 118 31.368 -1.973 0.252 835 1HB GLN 118 2HB GLN 118 30.911 -4.610 0.391 836 2HB GLN 118 1HB GLN 118 30.620 -3.521 1.741 837 1HG GLN 118 2HG GLN 118 28.479 -4.064 1.771 838 2HG GLN 118 1HG GLN 118 28.299 -3.602 0.080 839 1HE2 GLN 118 1HE2 GLN 118 26.771 -5.597 0.954 840 2HE2 GLN 118 2HE2 GLN 118 27.320 -7.120 0.354 841 H SER 119 H SER 119 31.363 -1.169 -2.135 842 HA SER 119 HA SER 119 31.316 -3.322 -4.082 843 1HB SER 119 2HB SER 119 30.812 -0.609 -4.244 844 2HB SER 119 1HB SER 119 32.406 -0.758 -4.983 845 HG SER 119 HG SER 119 29.948 -1.695 -5.846 846 H GLU 120 H GLU 120 33.086 -4.285 -2.580 847 HA GLU 120 HA GLU 120 35.234 -4.978 -2.321 848 1HB GLU 120 2HB GLU 120 35.282 -3.868 -5.110 849 2HB GLU 120 1HB GLU 120 36.758 -4.474 -4.370 850 1HG GLU 120 2HG GLU 120 36.199 -6.550 -4.866 851 2HG GLU 120 1HG GLU 120 34.677 -6.385 -3.990 852 H GLN 121 H GLN 121 34.376 -2.180 -1.584 853 HA GLN 121 HA GLN 121 37.072 -1.175 -1.043 854 1HB GLN 121 2HB GLN 121 35.852 -0.032 -3.059 855 2HB GLN 121 1HB GLN 121 34.931 0.779 -1.800 856 1HG GLN 121 2HG GLN 121 36.935 1.732 -0.876 857 2HG GLN 121 1HG GLN 121 37.933 0.816 -2.006 858 1HE2 GLN 121 1HE2 GLN 121 34.937 2.623 -2.514 859 2HE2 GLN 121 2HE2 GLN 121 35.585 3.715 -3.684 860 H LYS 122 H LYS 122 37.310 -0.764 1.048 861 HA LYS 122 HA LYS 122 35.013 -0.778 2.798 862 1HB LYS 122 2HB LYS 122 37.898 -1.137 3.060 863 2HB LYS 122 1HB LYS 122 37.211 -0.175 4.363 864 1HG LYS 122 2HG LYS 122 37.041 -2.295 5.215 865 2HG LYS 122 1HG LYS 122 35.451 -2.087 4.478 866 1HD LYS 122 2HD LYS 122 35.883 -3.574 2.801 867 2HD LYS 122 1HD LYS 122 37.612 -3.222 2.790 868 1HE LYS 122 2HE LYS 122 37.970 -5.046 4.000 869 2HE LYS 122 1HE LYS 122 37.014 -4.348 5.306 870 1HZ LYS 122 1HZ LYS 122 35.693 -5.719 3.054 871 2HZ LYS 122 2HZ LYS 122 35.120 -5.458 4.623 872 3HZ LYS 122 3HZ LYS 122 36.326 -6.610 4.347 873 H LEU 123 H LEU 123 35.175 0.859 4.723 874 HA LEU 123 HA LEU 123 35.579 3.554 3.602 875 1HB LEU 123 2HB LEU 123 33.647 3.583 5.717 876 2HB LEU 123 1HB LEU 123 33.472 4.105 4.053 877 HG LEU 123 HG LEU 123 33.324 1.198 4.385 878 1HD1 LEU 123 1HD1 LEU 123 31.231 2.960 5.650 879 2HD1 LEU 123 2HD1 LEU 123 32.274 1.806 6.482 880 3HD1 LEU 123 3HD1 LEU 123 31.060 1.233 5.338 881 1HD2 LEU 123 1HD2 LEU 123 31.130 2.825 3.250 882 2HD2 LEU 123 2HD2 LEU 123 31.894 1.358 2.636 883 3HD2 LEU 123 3HD2 LEU 123 32.694 2.918 2.441 884 H ILE 124 H ILE 124 37.740 3.140 4.601 885 HA ILE 124 HA ILE 124 39.298 3.504 6.221 886 HB ILE 124 HB ILE 124 37.169 5.207 7.517 887 1HG1 ILE 124 2HG1 ILE 124 39.256 6.274 5.646 888 2HG1 ILE 124 1HG1 ILE 124 37.777 5.579 4.990 889 1HG2 ILE 124 1HG2 ILE 124 38.726 5.799 8.982 890 2HG2 ILE 124 2HG2 ILE 124 39.850 6.212 7.687 891 3HG2 ILE 124 3HG2 ILE 124 39.782 4.560 8.303 892 1HD1 ILE 124 1HD1 ILE 124 37.851 8.097 5.361 893 2HD1 ILE 124 2HD1 ILE 124 37.711 7.723 7.079 894 3HD1 ILE 124 3HD1 ILE 124 36.440 7.225 5.962 895 H SER 125 H SER 125 39.295 1.352 6.981 896 HA SER 125 HA SER 125 37.643 0.752 9.312 897 1HB SER 125 2HB SER 125 37.815 -0.946 7.526 898 2HB SER 125 1HB SER 125 39.558 -1.027 7.782 899 HG SER 125 HG SER 125 38.636 -2.672 8.952 900 H GLU 126 H GLU 126 41.046 0.978 8.365 901 HA GLU 126 HA GLU 126 41.738 1.438 11.172 902 1HB GLU 126 2HB GLU 126 42.256 -0.986 9.894 903 2HB GLU 126 1HB GLU 126 43.788 -0.124 9.828 904 1HG GLU 126 2HG GLU 126 43.082 0.306 12.401 905 2HG GLU 126 1HG GLU 126 42.359 -1.278 12.118 906 H GLU 127 H GLU 127 41.608 3.593 9.869 907 HA GLU 127 HA GLU 127 44.347 4.221 9.000 908 1HB GLU 127 2HB GLU 127 41.818 5.260 7.709 909 2HB GLU 127 1HB GLU 127 43.458 5.727 7.280 910 1HG GLU 127 2HG GLU 127 42.881 2.842 7.198 911 2HG GLU 127 1HG GLU 127 42.052 3.834 6.000 912 H ASP 128 H ASP 128 41.248 5.539 10.123 913 HA ASP 128 HA ASP 128 42.505 7.987 11.024 914 1HB ASP 128 2HB ASP 128 39.776 7.025 10.597 915 2HB ASP 128 1HB ASP 128 39.948 7.981 12.066 916 H LEU 129 H LEU 129 42.892 5.127 12.195 917 HA LEU 129 HA LEU 129 42.675 5.987 14.998 918 1HB LEU 129 2HB LEU 129 41.597 3.591 13.699 919 2HB LEU 129 1HB LEU 129 42.532 3.247 15.140 920 HG LEU 129 HG LEU 129 40.259 3.422 15.806 921 1HD1 LEU 129 1HD1 LEU 129 40.739 4.599 17.628 922 2HD1 LEU 129 2HD1 LEU 129 40.819 6.104 16.713 923 3HD1 LEU 129 3HD1 LEU 129 42.243 5.072 16.839 924 1HD2 LEU 129 1HD2 LEU 129 38.808 4.606 14.624 925 2HD2 LEU 129 2HD2 LEU 129 40.124 5.365 13.729 926 3HD2 LEU 129 3HD2 LEU 129 39.542 6.093 15.227 927 H ASN 130 H ASN 130 43.831 2.998 15.227 928 HA ASN 130 HA ASN 130 45.861 2.075 15.603 929 1HB ASN 130 2HB ASN 130 46.015 3.285 13.034 930 2HB ASN 130 1HB ASN 130 47.556 3.553 13.843 931 1HD2 ASN 130 1HD2 ASN 130 47.601 2.034 11.668 932 2HD2 ASN 130 2HD2 ASN 130 47.818 0.367 12.067 933 H HIS 131 H HIS 131 47.602 4.907 14.594 934 HA HIS 131 HA HIS 131 47.999 5.685 17.402 935 1HB HIS 131 2HB HIS 131 49.951 4.588 15.565 936 2HB HIS 131 1HB HIS 131 50.426 6.197 16.098 937 HD1 HIS 131 1HD HIS 131 52.142 3.889 16.973 938 HD2 HIS 131 2HD HIS 131 48.878 5.218 19.175 939 HE1 HIS 131 1HE HIS 131 52.557 3.109 19.326 940 HE2 HIS 131 2HE HIS 131 50.619 4.010 20.659 941 H HIS 132 H HIS 132 49.197 7.852 17.514 942 HA HIS 132 HA HIS 132 47.694 9.740 15.953 943 1HB HIS 132 2HB HIS 132 49.871 10.166 18.012 944 2HB HIS 132 1HB HIS 132 48.880 11.440 17.310 945 HD1 HIS 132 1HD HIS 132 48.066 8.112 18.990 946 HD2 HIS 132 2HD HIS 132 46.967 12.118 19.079 947 HE1 HIS 132 1HE HIS 132 46.264 8.277 20.738 948 HE2 HIS 132 2HE HIS 132 45.578 10.701 20.737 949 H HIS 133 H HIS 133 50.756 8.234 15.723 950 HA HIS 133 HA HIS 133 51.978 10.299 14.113 951 1HB HIS 133 2HB HIS 133 52.852 7.925 15.483 952 2HB HIS 133 1HB HIS 133 53.398 7.877 13.810 953 HD1 HIS 133 1HD HIS 133 55.086 9.700 13.062 954 HD2 HIS 133 2HD HIS 133 54.064 9.860 17.086 955 HE1 HIS 133 1HE HIS 133 56.776 11.229 14.124 956 HE2 HIS 133 2HE HIS 133 56.188 11.244 16.574 957 H HIS 134 H HIS 134 51.565 10.582 12.033 958 HA HIS 134 HA HIS 134 50.177 8.545 10.515 959 1HB HIS 134 2HB HIS 134 49.659 11.031 10.410 960 2HB HIS 134 1HB HIS 134 51.159 11.215 9.505 961 HD1 HIS 134 1HD HIS 134 51.222 9.568 7.260 962 HD2 HIS 134 2HD HIS 134 47.517 10.610 8.825 963 HE1 HIS 134 1HE HIS 134 49.574 9.166 5.405 964 HE2 HIS 134 2HE HIS 134 47.327 9.710 6.408 965 H HIS 135 H HIS 135 53.382 9.905 10.743 966 HA HIS 135 HA HIS 135 54.286 8.585 8.322 967 1HB HIS 135 2HB HIS 135 55.099 10.863 9.588 968 2HB HIS 135 1HB HIS 135 56.311 9.711 10.141 969 HD1 HIS 135 1HD HIS 135 56.312 12.175 7.854 970 HD2 HIS 135 2HD HIS 135 56.844 8.080 7.384 971 HE1 HIS 135 1HE HIS 135 57.569 11.904 5.694 972 HE2 HIS 135 2HE HIS 135 57.944 9.423 5.467 Start of MODEL 4 1 1H ASP 1 1HT ASP 1 -10.880 -11.394 8.485 2 2H ASP 1 2HT ASP 1 -11.212 -9.736 8.495 3 3H ASP 1 3HT ASP 1 -9.764 -10.303 7.831 4 HA ASP 1 HA ASP 1 -11.909 -11.599 6.564 5 1HB ASP 1 2HB ASP 1 -12.559 -8.999 7.431 6 2HB ASP 1 1HB ASP 1 -12.202 -8.852 5.713 7 H VAL 2 H VAL 2 -9.447 -9.067 6.486 8 HA VAL 2 HA VAL 2 -8.528 -10.151 3.906 9 HB VAL 2 HB VAL 2 -7.867 -7.327 4.470 10 1HG1 VAL 2 1HG1 VAL 2 -7.328 -8.771 2.407 11 2HG1 VAL 2 2HG1 VAL 2 -7.893 -7.119 2.157 12 3HG1 VAL 2 3HG1 VAL 2 -9.005 -8.471 1.949 13 1HG2 VAL 2 1HG2 VAL 2 -10.571 -7.793 3.314 14 2HG2 VAL 2 2HG2 VAL 2 -9.929 -6.379 4.151 15 3HG2 VAL 2 3HG2 VAL 2 -10.388 -7.814 5.068 16 H GLN 3 H GLN 3 -6.594 -11.042 4.082 17 HA GLN 3 HA GLN 3 -4.686 -9.916 6.027 18 1HB GLN 3 2HB GLN 3 -5.757 -12.516 5.972 19 2HB GLN 3 1HB GLN 3 -4.111 -12.667 5.373 20 1HG GLN 3 2HG GLN 3 -4.288 -10.971 7.721 21 2HG GLN 3 1HG GLN 3 -4.894 -12.601 8.010 22 1HE2 GLN 3 1HE2 GLN 3 -2.158 -10.907 6.524 23 2HE2 GLN 3 2HE2 GLN 3 -0.958 -12.044 7.025 24 H LEU 4 H LEU 4 -2.658 -9.476 5.312 25 HA LEU 4 HA LEU 4 -2.143 -10.040 2.467 26 1HB LEU 4 2HB LEU 4 -0.630 -7.958 3.964 27 2HB LEU 4 1HB LEU 4 -1.054 -8.025 2.264 28 HG LEU 4 HG LEU 4 -3.430 -7.805 3.903 29 1HD1 LEU 4 1HD1 LEU 4 -1.637 -5.424 4.063 30 2HD1 LEU 4 2HD1 LEU 4 -1.629 -6.650 5.326 31 3HD1 LEU 4 3HD1 LEU 4 -3.113 -5.765 4.959 32 1HD2 LEU 4 1HD2 LEU 4 -3.801 -7.149 1.767 33 2HD2 LEU 4 2HD2 LEU 4 -2.162 -6.530 1.561 34 3HD2 LEU 4 3HD2 LEU 4 -3.357 -5.581 2.441 35 H GLN 5 H GLN 5 0.173 -10.182 1.864 36 HA GLN 5 HA GLN 5 1.928 -11.286 3.919 37 1HB GLN 5 2HB GLN 5 1.380 -12.758 1.335 38 2HB GLN 5 1HB GLN 5 2.415 -13.287 2.654 39 1HG GLN 5 2HG GLN 5 0.280 -13.218 4.080 40 2HG GLN 5 1HG GLN 5 -0.572 -13.169 2.536 41 1HE2 GLN 5 1HE2 GLN 5 -0.223 -14.926 1.053 42 2HE2 GLN 5 2HE2 GLN 5 0.165 -16.497 1.659 43 H ALA 6 H ALA 6 3.170 -9.409 3.617 44 HA ALA 6 HA ALA 6 4.176 -8.758 0.988 45 1HB ALA 6 1HB ALA 6 3.560 -7.139 2.919 46 2HB ALA 6 2HB ALA 6 4.955 -6.788 1.897 47 3HB ALA 6 3HB ALA 6 5.188 -7.495 3.496 48 H SER 7 H SER 7 6.180 -9.073 0.199 49 HA SER 7 HA SER 7 8.427 -9.833 1.760 50 1HB SER 7 2HB SER 7 7.968 -12.042 1.919 51 2HB SER 7 1HB SER 7 6.718 -11.963 0.680 52 HG SER 7 HG SER 7 8.115 -12.620 -0.747 53 H GLY 8 H GLY 8 10.320 -10.406 0.332 54 1HA GLY 8 2HA GLY 8 11.168 -10.445 -1.974 55 2HA GLY 8 1HA GLY 8 9.998 -9.187 -2.341 56 H GLY 9 H GLY 9 11.797 -9.129 0.637 57 1HA GLY 9 2HA GLY 9 12.961 -6.585 -0.123 58 2HA GLY 9 1HA GLY 9 13.030 -7.335 1.464 59 H GLY 10 H GLY 10 14.905 -6.303 -0.927 60 1HA GLY 10 2HA GLY 10 16.892 -8.456 -0.538 61 2HA GLY 10 1HA GLY 10 16.771 -7.506 -2.010 62 H LEU 11 H LEU 11 19.155 -7.404 -1.325 63 HA LEU 11 HA LEU 11 19.550 -5.060 0.415 64 1HB LEU 11 2HB LEU 11 20.881 -7.627 0.277 65 2HB LEU 11 1HB LEU 11 22.022 -6.313 0.064 66 HG LEU 11 HG LEU 11 20.672 -5.403 2.217 67 1HD1 LEU 11 1HD1 LEU 11 19.251 -7.106 2.766 68 2HD1 LEU 11 2HD1 LEU 11 20.675 -7.588 3.688 69 3HD1 LEU 11 3HD1 LEU 11 20.326 -8.355 2.139 70 1HD2 LEU 11 1HD2 LEU 11 22.697 -5.542 3.142 71 2HD2 LEU 11 2HD2 LEU 11 23.210 -6.308 1.640 72 3HD2 LEU 11 3HD2 LEU 11 22.725 -7.300 3.016 73 H VAL 12 H VAL 12 20.220 -3.266 -0.561 74 HA VAL 12 HA VAL 12 21.712 -3.511 -3.091 75 HB VAL 12 HB VAL 12 20.528 -1.672 -4.068 76 1HG1 VAL 12 1HG1 VAL 12 18.188 -3.136 -3.032 77 2HG1 VAL 12 2HG1 VAL 12 19.461 -4.115 -3.760 78 3HG1 VAL 12 3HG1 VAL 12 18.694 -2.828 -4.692 79 1HG2 VAL 12 1HG2 VAL 12 20.193 -0.390 -1.983 80 2HG2 VAL 12 2HG2 VAL 12 18.899 -1.502 -1.535 81 3HG2 VAL 12 3HG2 VAL 12 18.732 -0.487 -2.967 82 H GLN 13 H GLN 13 22.316 -1.013 -3.671 83 HA GLN 13 HA GLN 13 23.761 -0.012 -1.307 84 1HB GLN 13 2HB GLN 13 24.839 0.926 -3.823 85 2HB GLN 13 1HB GLN 13 25.648 0.074 -2.514 86 1HG GLN 13 2HG GLN 13 25.904 -1.586 -3.968 87 2HG GLN 13 1HG GLN 13 24.192 -1.915 -3.713 88 1HE2 GLN 13 1HE2 GLN 13 22.679 -0.829 -5.168 89 2HE2 GLN 13 2HE2 GLN 13 23.156 -0.548 -6.804 90 HA PRO 14 HA PRO 14 21.696 3.874 -1.470 91 1HB PRO 14 2HB PRO 14 24.394 5.137 -1.693 92 2HB PRO 14 1HB PRO 14 23.076 5.489 -0.569 93 1HG PRO 14 2HG PRO 14 25.181 4.113 0.262 94 2HG PRO 14 1HG PRO 14 23.546 3.637 0.766 95 1HD PRO 14 2HD PRO 14 25.330 2.400 -1.290 96 2HD PRO 14 1HD PRO 14 24.235 1.621 -0.130 97 H GLY 15 H GLY 15 20.771 3.630 -3.545 98 1HA GLY 15 2HA GLY 15 20.518 5.247 -5.421 99 2HA GLY 15 1HA GLY 15 22.239 5.030 -5.696 100 H GLY 16 H GLY 16 20.697 2.148 -4.785 101 1HA GLY 16 2HA GLY 16 21.007 1.112 -7.486 102 2HA GLY 16 1HA GLY 16 20.699 0.171 -6.035 103 H SER 17 H SER 17 18.924 -0.979 -6.523 104 HA SER 17 HA SER 17 16.411 0.366 -6.697 105 1HB SER 17 2HB SER 17 15.835 0.114 -8.885 106 2HB SER 17 1HB SER 17 17.581 0.155 -9.127 107 HG SER 17 HG SER 17 16.637 -1.635 -10.173 108 H LEU 18 H LEU 18 14.826 -0.888 -5.902 109 HA LEU 18 HA LEU 18 15.242 -3.795 -5.806 110 1HB LEU 18 2HB LEU 18 15.263 -1.979 -3.580 111 2HB LEU 18 1HB LEU 18 13.889 -3.058 -3.442 112 HG LEU 18 HG LEU 18 16.701 -4.049 -3.877 113 1HD1 LEU 18 1HD1 LEU 18 15.794 -2.741 -1.607 114 2HD1 LEU 18 2HD1 LEU 18 17.195 -3.804 -1.727 115 3HD1 LEU 18 3HD1 LEU 18 15.635 -4.455 -1.222 116 1HD2 LEU 18 1HD2 LEU 18 14.799 -5.552 -4.451 117 2HD2 LEU 18 2HD2 LEU 18 14.272 -5.445 -2.771 118 3HD2 LEU 18 3HD2 LEU 18 15.835 -6.161 -3.161 119 H ARG 19 H ARG 19 13.368 -5.041 -5.826 120 HA ARG 19 HA ARG 19 10.861 -3.562 -6.281 121 1HB ARG 19 2HB ARG 19 11.717 -4.403 -8.409 122 2HB ARG 19 1HB ARG 19 11.834 -6.025 -7.741 123 1HG ARG 19 2HG ARG 19 9.661 -6.443 -8.064 124 2HG ARG 19 1HG ARG 19 9.171 -4.837 -7.520 125 1HD ARG 19 2HD ARG 19 8.642 -5.287 -9.904 126 2HD ARG 19 1HD ARG 19 9.689 -3.889 -9.662 127 HE ARG 19 HE ARG 19 11.448 -5.055 -10.645 128 1HH1 ARG 19 1HH1 ARG 19 8.617 -7.067 -10.346 129 2HH1 ARG 19 2HH1 ARG 19 9.214 -8.285 -11.422 130 1HH2 ARG 19 1HH2 ARG 19 12.239 -6.657 -12.062 131 2HH2 ARG 19 2HH2 ARG 19 11.271 -8.053 -12.396 132 H VAL 20 H VAL 20 9.607 -3.944 -4.572 133 HA VAL 20 HA VAL 20 9.575 -6.668 -3.446 134 HB VAL 20 HB VAL 20 8.881 -5.778 -1.359 135 1HG1 VAL 20 1HG1 VAL 20 10.678 -4.174 -0.819 136 2HG1 VAL 20 2HG1 VAL 20 11.007 -4.001 -2.543 137 3HG1 VAL 20 3HG1 VAL 20 11.248 -5.559 -1.751 138 1HG2 VAL 20 1HG2 VAL 20 7.728 -3.882 -1.066 139 2HG2 VAL 20 2HG2 VAL 20 7.598 -3.834 -2.823 140 3HG2 VAL 20 3HG2 VAL 20 8.880 -2.937 -2.008 141 H SER 21 H SER 21 7.482 -7.484 -2.684 142 HA SER 21 HA SER 21 5.163 -6.263 -3.994 143 1HB SER 21 2HB SER 21 4.467 -8.329 -5.012 144 2HB SER 21 1HB SER 21 6.125 -8.005 -5.513 145 HG SER 21 HG SER 21 6.733 -9.432 -3.719 146 H CYS 22 H CYS 22 3.098 -7.286 -3.310 147 HA CYS 22 HA CYS 22 3.189 -8.602 -0.706 148 1HB CYS 22 2HB CYS 22 2.952 -6.521 0.220 149 2HB CYS 22 1HB CYS 22 2.220 -5.842 -1.228 150 H ALA 23 H ALA 23 2.040 -10.378 -1.038 151 HA ALA 23 HA ALA 23 -0.139 -10.396 -2.944 152 1HB ALA 23 1HB ALA 23 0.823 -12.675 -1.231 153 2HB ALA 23 2HB ALA 23 1.537 -12.243 -2.784 154 3HB ALA 23 3HB ALA 23 -0.145 -12.768 -2.703 155 H ALA 24 H ALA 24 -2.254 -10.383 -2.486 156 HA ALA 24 HA ALA 24 -3.109 -10.821 0.288 157 1HB ALA 24 1HB ALA 24 -2.959 -8.424 0.033 158 2HB ALA 24 2HB ALA 24 -4.655 -8.902 0.116 159 3HB ALA 24 3HB ALA 24 -3.931 -8.488 -1.438 160 H SER 25 H SER 25 -5.590 -10.966 0.376 161 HA SER 25 HA SER 25 -7.034 -11.694 -1.950 162 1HB SER 25 2HB SER 25 -5.329 -13.706 -1.103 163 2HB SER 25 1HB SER 25 -6.872 -14.148 -0.372 164 HG SER 25 HG SER 25 -7.644 -14.596 -2.281 165 H GLY 26 H GLY 26 -9.191 -11.709 -1.546 166 1HA GLY 26 2HA GLY 26 -10.933 -12.455 0.105 167 2HA GLY 26 1HA GLY 26 -9.984 -11.580 1.297 168 H PHE 27 H PHE 27 -9.796 -9.861 -1.515 169 HA PHE 27 HA PHE 27 -12.332 -8.514 -1.386 170 1HB PHE 27 2HB PHE 27 -11.559 -6.370 -0.628 171 2HB PHE 27 1HB PHE 27 -11.095 -7.570 0.568 172 HD1 PHE 27 1HD PHE 27 -9.970 -4.759 0.158 173 HD2 PHE 27 2HD PHE 27 -8.684 -8.589 -1.185 174 HE1 PHE 27 1HE PHE 27 -7.652 -3.946 0.061 175 HE2 PHE 27 2HE PHE 27 -6.366 -7.780 -1.285 176 HZ PHE 27 HZ PHE 27 -5.846 -5.456 -0.657 177 H THR 28 H THR 28 -9.411 -9.281 -2.854 178 HA THR 28 HA THR 28 -8.601 -9.032 -4.957 179 HB THR 28 HB THR 28 -11.267 -7.765 -5.613 180 HG1 THR 28 1HG THR 28 -10.480 -10.392 -5.185 181 1HG2 THR 28 1HG2 THR 28 -9.649 -7.314 -7.337 182 2HG2 THR 28 2HG2 THR 28 -10.737 -8.578 -7.911 183 3HG2 THR 28 3HG2 THR 28 -9.120 -8.996 -7.342 184 H PHE 29 H PHE 29 -7.374 -7.580 -6.078 185 HA PHE 29 HA PHE 29 -7.152 -4.938 -4.923 186 1HB PHE 29 2HB PHE 29 -5.487 -6.695 -6.597 187 2HB PHE 29 1HB PHE 29 -5.361 -4.986 -6.996 188 HD1 PHE 29 1HD PHE 29 -5.287 -7.263 -4.050 189 HD2 PHE 29 2HD PHE 29 -3.852 -3.684 -5.846 190 HE1 PHE 29 1HE PHE 29 -3.728 -6.952 -2.172 191 HE2 PHE 29 2HE PHE 29 -2.291 -3.364 -3.972 192 HZ PHE 29 HZ PHE 29 -2.225 -5.000 -2.133 193 H SER 30 H SER 30 -6.414 -3.272 -6.852 194 HA SER 30 HA SER 30 -7.242 -1.788 -8.365 195 1HB SER 30 2HB SER 30 -6.667 -3.672 -9.883 196 2HB SER 30 1HB SER 30 -8.314 -4.280 -9.712 197 HG SER 30 HG SER 30 -7.476 -1.830 -10.867 198 H SER 31 H SER 31 -8.949 -2.643 -6.087 199 HA SER 31 HA SER 31 -11.420 -1.441 -7.055 200 1HB SER 31 2HB SER 31 -11.181 -4.245 -6.439 201 2HB SER 31 1HB SER 31 -12.270 -3.472 -5.287 202 HG SER 31 HG SER 31 -12.706 -4.104 -7.858 203 H TYR 32 H TYR 32 -9.271 -2.369 -4.497 204 HA TYR 32 HA TYR 32 -10.658 -0.529 -2.660 205 1HB TYR 32 2HB TYR 32 -9.122 -3.064 -2.155 206 2HB TYR 32 1HB TYR 32 -9.292 -1.853 -0.890 207 HD1 TYR 32 1HD TYR 32 -11.141 -4.205 -3.055 208 HD2 TYR 32 2HD TYR 32 -11.341 -1.588 0.294 209 HE1 TYR 32 1HE TYR 32 -13.331 -5.150 -2.455 210 HE2 TYR 32 2HE TYR 32 -13.532 -2.525 0.902 211 HH TYR 32 HH TYR 32 -14.847 -4.516 0.551 212 H HIS 33 H HIS 33 -9.210 0.609 -1.130 213 HA HIS 33 HA HIS 33 -6.934 1.693 -2.562 214 1HB HIS 33 2HB HIS 33 -7.992 2.440 0.174 215 2HB HIS 33 1HB HIS 33 -6.867 3.373 -0.806 216 HD1 HIS 33 1HD HIS 33 -7.850 4.709 -2.790 217 HD2 HIS 33 2HD HIS 33 -10.686 2.653 -0.556 218 HE1 HIS 33 1HE HIS 33 -10.075 5.633 -3.513 219 HE2 HIS 33 2HE HIS 33 -11.769 4.439 -2.080 220 H MET 34 H MET 34 -4.800 1.483 -1.983 221 HA MET 34 HA MET 34 -4.177 -0.068 0.421 222 1HB MET 34 2HB MET 34 -2.848 -0.672 -2.212 223 2HB MET 34 1HB MET 34 -2.723 -1.571 -0.708 224 1HG MET 34 2HG MET 34 -5.348 -1.273 -2.104 225 2HG MET 34 1HG MET 34 -4.190 -2.508 -2.595 226 1HE MET 34 1HE MET 34 -3.815 -4.654 0.610 227 2HE MET 34 2HE MET 34 -3.059 -3.066 0.740 228 3HE MET 34 3HE MET 34 -2.979 -3.958 -0.778 229 H ALA 35 H ALA 35 -1.656 -0.163 0.648 230 HA ALA 35 HA ALA 35 -0.227 2.096 -0.387 231 1HB ALA 35 1HB ALA 35 0.093 3.211 1.804 232 2HB ALA 35 2HB ALA 35 -1.141 2.150 2.483 233 3HB ALA 35 3HB ALA 35 -1.564 3.292 1.207 234 H TRP 36 H TRP 36 1.964 2.112 0.147 235 HA TRP 36 HA TRP 36 2.965 -0.383 1.340 236 1HB TRP 36 2HB TRP 36 3.857 1.343 -0.888 237 2HB TRP 36 1HB TRP 36 5.142 0.747 0.156 238 HD1 TRP 36 HD TRP 36 3.187 -0.207 -2.798 239 HE1 TRP 36 1HE TRP 36 3.522 -2.700 -3.349 240 HE3 TRP 36 3HE TRP 36 5.397 -1.719 1.559 241 HZ2 TRP 36 2HZ TRP 36 4.579 -5.001 -2.106 242 HZ3 TRP 36 3HZ TRP 36 6.039 -4.084 1.797 243 HH2 TRP 36 HH TRP 36 5.637 -5.690 0.000 244 H VAL 37 H VAL 37 3.375 -0.059 3.453 245 HA VAL 37 HA VAL 37 4.506 2.511 4.289 246 HB VAL 37 HB VAL 37 3.788 2.066 6.491 247 1HG1 VAL 37 1HG1 VAL 37 1.378 0.861 5.640 248 2HG1 VAL 37 2HG1 VAL 37 1.962 1.878 4.320 249 3HG1 VAL 37 3HG1 VAL 37 1.711 2.571 5.922 250 1HG2 VAL 37 1HG2 VAL 37 4.349 -0.586 5.930 251 2HG2 VAL 37 2HG2 VAL 37 2.604 -0.562 6.191 252 3HG2 VAL 37 3HG2 VAL 37 3.692 0.053 7.437 253 H ARG 38 H ARG 38 6.118 2.454 6.058 254 HA ARG 38 HA ARG 38 7.875 0.115 5.982 255 1HB ARG 38 2HB ARG 38 8.938 1.366 4.341 256 2HB ARG 38 1HB ARG 38 8.530 2.897 5.097 257 1HG ARG 38 2HG ARG 38 10.140 1.934 6.985 258 2HG ARG 38 1HG ARG 38 10.805 1.077 5.591 259 1HD ARG 38 2HD ARG 38 12.002 3.131 5.826 260 2HD ARG 38 1HD ARG 38 10.957 3.269 4.411 261 HE ARG 38 HE ARG 38 9.631 4.286 6.684 262 1HH1 ARG 38 1HH1 ARG 38 12.240 5.044 4.502 263 2HH1 ARG 38 2HH1 ARG 38 12.070 6.757 4.688 264 1HH2 ARG 38 1HH2 ARG 38 9.395 6.540 6.932 265 2HH2 ARG 38 2HH2 ARG 38 10.452 7.609 6.071 266 H GLN 39 H GLN 39 9.297 -0.061 7.762 267 HA GLN 39 HA GLN 39 8.837 1.808 9.976 268 1HB GLN 39 2HB GLN 39 7.462 -0.350 10.131 269 2HB GLN 39 1HB GLN 39 8.995 -1.170 10.397 270 1HG GLN 39 2HG GLN 39 9.310 -0.206 12.460 271 2HG GLN 39 1HG GLN 39 8.279 1.175 12.089 272 1HE2 GLN 39 1HE2 GLN 39 6.597 1.171 13.388 273 2HE2 GLN 39 2HE2 GLN 39 5.650 -0.205 13.830 274 H ALA 40 H ALA 40 10.732 2.670 10.454 275 HA ALA 40 HA ALA 40 13.183 1.125 10.034 276 1HB ALA 40 1HB ALA 40 12.476 3.879 9.736 277 2HB ALA 40 2HB ALA 40 13.966 3.057 9.270 278 3HB ALA 40 3HB ALA 40 13.803 3.737 10.890 279 HA PRO 41 HA PRO 41 14.056 0.333 14.278 280 1HB PRO 41 2HB PRO 41 16.660 1.247 14.495 281 2HB PRO 41 1HB PRO 41 16.194 -0.339 13.873 282 1HG PRO 41 2HG PRO 41 16.893 2.156 12.383 283 2HG PRO 41 1HG PRO 41 17.317 0.473 12.017 284 1HD PRO 41 2HD PRO 41 15.369 1.736 10.686 285 2HD PRO 41 1HD PRO 41 15.232 0.015 11.107 286 H GLY 42 H GLY 42 12.607 1.868 15.177 287 1HA GLY 42 2HA GLY 42 12.632 3.407 17.041 288 2HA GLY 42 1HA GLY 42 13.976 4.240 16.273 289 H LYS 43 H LYS 43 11.094 3.182 14.570 290 HA LYS 43 HA LYS 43 10.186 5.973 14.407 291 1HB LYS 43 2HB LYS 43 11.464 4.769 12.337 292 2HB LYS 43 1HB LYS 43 9.799 4.328 11.985 293 1HG LYS 43 2HG LYS 43 9.136 6.602 11.848 294 2HG LYS 43 1HG LYS 43 10.678 7.155 12.501 295 1HD LYS 43 2HD LYS 43 11.734 6.023 10.457 296 2HD LYS 43 1HD LYS 43 10.097 5.981 9.798 297 1HE LYS 43 2HE LYS 43 11.708 8.401 10.587 298 2HE LYS 43 1HE LYS 43 11.160 7.950 8.971 299 1HZ LYS 43 1HZ LYS 43 8.875 8.076 10.474 300 2HZ LYS 43 2HZ LYS 43 9.410 9.234 9.364 301 3HZ LYS 43 3HZ LYS 43 9.786 9.400 11.005 302 H GLY 44 H GLY 44 7.925 6.209 13.778 303 1HA GLY 44 2HA GLY 44 6.331 3.996 14.864 304 2HA GLY 44 1HA GLY 44 5.805 5.666 14.716 305 H LEU 45 H LEU 45 7.287 3.572 12.275 306 HA LEU 45 HA LEU 45 6.591 2.863 10.232 307 1HB LEU 45 2HB LEU 45 4.726 1.934 11.759 308 2HB LEU 45 1HB LEU 45 3.746 3.236 11.111 309 HG LEU 45 HG LEU 45 4.265 2.310 8.802 310 1HD1 LEU 45 1HD1 LEU 45 5.475 0.198 10.532 311 2HD1 LEU 45 2HD1 LEU 45 6.092 0.921 9.046 312 3HD1 LEU 45 3HD1 LEU 45 4.755 -0.228 8.979 313 1HD2 LEU 45 1HD2 LEU 45 2.431 0.880 8.866 314 2HD2 LEU 45 2HD2 LEU 45 2.161 1.947 10.243 315 3HD2 LEU 45 3HD2 LEU 45 2.798 0.322 10.498 316 H GLU 46 H GLU 46 5.537 3.529 8.242 317 HA GLU 46 HA GLU 46 4.410 6.191 8.112 318 1HB GLU 46 2HB GLU 46 6.484 7.106 7.867 319 2HB GLU 46 1HB GLU 46 7.206 5.590 7.348 320 1HG GLU 46 2HG GLU 46 6.674 5.932 5.144 321 2HG GLU 46 1HG GLU 46 5.339 7.022 5.522 322 H TRP 47 H TRP 47 2.941 6.278 6.513 323 HA TRP 47 HA TRP 47 2.268 3.985 5.061 324 1HB TRP 47 2HB TRP 47 0.359 5.114 4.885 325 2HB TRP 47 1HB TRP 47 1.149 6.549 5.524 326 HD1 TRP 47 HD TRP 47 0.693 4.828 2.072 327 HE1 TRP 47 1HE TRP 47 0.477 6.670 0.296 328 HE3 TRP 47 3HE TRP 47 1.323 8.911 5.073 329 HZ2 TRP 47 2HZ TRP 47 0.541 9.497 0.186 330 HZ3 TRP 47 3HZ TRP 47 1.226 11.151 4.057 331 HH2 TRP 47 HH TRP 47 0.843 11.436 1.663 332 H VAL 48 H VAL 48 4.421 6.586 4.235 333 HA VAL 48 HA VAL 48 5.733 6.997 2.434 334 HB VAL 48 HB VAL 48 5.538 4.022 2.434 335 1HG1 VAL 48 1HG1 VAL 48 7.471 4.493 0.535 336 2HG1 VAL 48 2HG1 VAL 48 6.173 5.583 0.055 337 3HG1 VAL 48 3HG1 VAL 48 5.855 3.856 0.222 338 1HG2 VAL 48 1HG2 VAL 48 8.179 5.071 2.246 339 2HG2 VAL 48 2HG2 VAL 48 7.406 4.252 3.606 340 3HG2 VAL 48 3HG2 VAL 48 7.282 6.004 3.444 341 H SER 49 H SER 49 3.796 4.414 0.857 342 HA SER 49 HA SER 49 2.858 6.497 -1.022 343 1HB SER 49 2HB SER 49 3.530 3.668 -1.823 344 2HB SER 49 1HB SER 49 3.198 5.041 -2.877 345 HG SER 49 HG SER 49 5.462 4.516 -2.611 346 H THR 50 H THR 50 0.852 6.301 -1.941 347 HA THR 50 HA THR 50 -0.881 4.095 -1.097 348 HB THR 50 HB THR 50 -1.248 6.968 -0.383 349 HG1 THR 50 1HG THR 50 -2.616 5.193 1.093 350 1HG2 THR 50 1HG2 THR 50 -3.109 6.390 -2.005 351 2HG2 THR 50 2HG2 THR 50 -3.617 6.909 -0.399 352 3HG2 THR 50 3HG2 THR 50 -3.645 5.197 -0.822 353 H ILE 51 H ILE 51 -2.088 3.366 -2.757 354 HA ILE 51 HA ILE 51 -2.410 5.152 -5.085 355 HB ILE 51 HB ILE 51 -0.828 3.330 -5.557 356 1HG1 ILE 51 2HG1 ILE 51 -3.176 2.514 -7.166 357 2HG1 ILE 51 1HG1 ILE 51 -2.821 4.240 -7.148 358 1HG2 ILE 51 1HG2 ILE 51 -3.013 1.705 -4.436 359 2HG2 ILE 51 2HG2 ILE 51 -1.271 1.431 -4.425 360 3HG2 ILE 51 3HG2 ILE 51 -2.217 1.040 -5.862 361 1HD1 ILE 51 1HD1 ILE 51 -1.216 3.944 -8.633 362 2HD1 ILE 51 2HD1 ILE 51 -1.616 2.228 -8.698 363 3HD1 ILE 51 3HD1 ILE 51 -0.397 2.805 -7.563 364 H ASN 52 H ASN 52 -4.355 5.204 -6.125 365 HA ASN 52 HA ASN 52 -6.600 4.035 -4.660 366 1HB ASN 52 2HB ASN 52 -7.989 5.634 -5.912 367 2HB ASN 52 1HB ASN 52 -6.677 6.451 -5.072 368 1HD2 ASN 52 1HD2 ASN 52 -8.120 7.509 -7.233 369 2HD2 ASN 52 2HD2 ASN 52 -7.032 7.716 -8.558 370 HA PRO 53 HA PRO 53 -7.502 0.846 -7.568 371 1HB PRO 53 2HB PRO 53 -10.317 1.820 -7.454 372 2HB PRO 53 1HB PRO 53 -9.677 0.193 -7.194 373 1HG PRO 53 2HG PRO 53 -10.457 1.675 -5.132 374 2HG PRO 53 1HG PRO 53 -9.005 0.662 -5.021 375 1HD PRO 53 2HD PRO 53 -9.232 3.620 -5.385 376 2HD PRO 53 1HD PRO 53 -8.052 2.685 -4.443 377 H GLY 54 H GLY 54 -9.977 3.267 -8.360 378 1HA GLY 54 2HA GLY 54 -9.193 3.099 -11.166 379 2HA GLY 54 1HA GLY 54 -10.647 3.860 -10.535 380 H ASP 55 H ASP 55 -9.759 5.428 -12.259 381 HA ASP 55 HA ASP 55 -8.980 7.511 -12.719 382 1HB ASP 55 2HB ASP 55 -8.903 7.562 -9.713 383 2HB ASP 55 1HB ASP 55 -8.310 8.927 -10.656 384 H GLY 56 H GLY 56 -6.878 6.965 -9.906 385 1HA GLY 56 2HA GLY 56 -4.640 5.906 -10.476 386 2HA GLY 56 1HA GLY 56 -4.581 7.109 -11.755 387 H SER 57 H SER 57 -6.117 8.516 -9.204 388 HA SER 57 HA SER 57 -4.169 10.405 -8.664 389 1HB SER 57 2HB SER 57 -6.702 10.338 -8.035 390 2HB SER 57 1HB SER 57 -6.133 9.590 -6.543 391 HG SER 57 HG SER 57 -5.279 12.096 -7.569 392 H THR 58 H THR 58 -2.244 10.212 -7.746 393 HA THR 58 HA THR 58 -1.809 8.032 -5.823 394 HB THR 58 HB THR 58 0.686 9.062 -6.436 395 HG1 THR 58 1HG THR 58 -0.084 10.241 -8.187 396 1HG2 THR 58 1HG2 THR 58 -0.183 6.663 -6.242 397 2HG2 THR 58 2HG2 THR 58 1.089 6.967 -7.427 398 3HG2 THR 58 3HG2 THR 58 -0.588 6.800 -7.954 399 H TYR 59 H TYR 59 -0.668 8.398 -3.906 400 HA TYR 59 HA TYR 59 -0.194 11.178 -3.123 401 1HB TYR 59 2HB TYR 59 -1.605 9.326 -1.221 402 2HB TYR 59 1HB TYR 59 -1.491 11.081 -1.169 403 HD1 TYR 59 1HD TYR 59 -2.896 12.458 -2.654 404 HD2 TYR 59 2HD TYR 59 -3.310 8.227 -2.499 405 HE1 TYR 59 1HE TYR 59 -5.087 12.639 -3.758 406 HE2 TYR 59 2HE TYR 59 -5.501 8.395 -3.605 407 HH TYR 59 HH TYR 59 -7.279 10.044 -3.928 408 H TYR 60 H TYR 60 1.734 11.377 -2.200 409 HA TYR 60 HA TYR 60 2.889 9.033 -0.839 410 1HB TYR 60 2HB TYR 60 4.317 11.025 -2.611 411 2HB TYR 60 1HB TYR 60 5.122 9.799 -1.638 412 HD1 TYR 60 1HD TYR 60 2.697 10.239 -4.420 413 HD2 TYR 60 2HD TYR 60 5.442 7.636 -2.478 414 HE1 TYR 60 1HE TYR 60 2.489 8.642 -6.278 415 HE2 TYR 60 2HE TYR 60 5.241 6.032 -4.330 416 HH TYR 60 HH TYR 60 2.946 5.819 -6.339 417 H ALA 61 H ALA 61 4.654 9.639 0.701 418 HA ALA 61 HA ALA 61 3.728 11.760 2.410 419 1HB ALA 61 1HB ALA 61 5.395 9.416 2.673 420 2HB ALA 61 2HB ALA 61 4.504 10.306 3.907 421 3HB ALA 61 3HB ALA 61 6.130 10.816 3.451 422 H ASP 62 H ASP 62 5.218 12.097 -0.304 423 HA ASP 62 HA ASP 62 6.395 13.799 -1.245 424 1HB ASP 62 2HB ASP 62 5.781 14.847 1.321 425 2HB ASP 62 1HB ASP 62 7.470 15.217 0.988 426 H SER 63 H SER 63 7.899 12.594 1.744 427 HA SER 63 HA SER 63 10.552 12.826 0.649 428 1HB SER 63 2HB SER 63 9.642 11.420 3.170 429 2HB SER 63 1HB SER 63 11.294 11.882 2.765 430 HG SER 63 HG SER 63 10.876 13.770 3.558 431 H VAL 64 H VAL 64 8.294 10.936 -0.372 432 HA VAL 64 HA VAL 64 10.087 8.662 -0.801 433 HB VAL 64 HB VAL 64 8.101 7.126 -0.616 434 1HG1 VAL 64 1HG1 VAL 64 9.117 8.572 1.823 435 2HG1 VAL 64 2HG1 VAL 64 9.757 7.095 1.103 436 3HG1 VAL 64 3HG1 VAL 64 8.177 7.082 1.886 437 1HG2 VAL 64 1HG2 VAL 64 6.806 9.638 -0.128 438 2HG2 VAL 64 2HG2 VAL 64 6.575 8.555 1.244 439 3HG2 VAL 64 3HG2 VAL 64 6.097 8.043 -0.374 440 H LYS 65 H LYS 65 8.765 11.064 -2.273 441 HA LYS 65 HA LYS 65 7.201 9.827 -4.338 442 1HB LYS 65 2HB LYS 65 8.226 12.570 -3.787 443 2HB LYS 65 1HB LYS 65 7.759 12.180 -5.437 444 1HG LYS 65 2HG LYS 65 5.882 11.559 -3.208 445 2HG LYS 65 1HG LYS 65 6.039 13.222 -3.775 446 1HD LYS 65 2HD LYS 65 5.513 10.918 -5.639 447 2HD LYS 65 1HD LYS 65 4.215 11.817 -4.851 448 1HE LYS 65 2HE LYS 65 6.199 12.758 -6.889 449 2HE LYS 65 1HE LYS 65 4.439 12.864 -6.922 450 1HZ LYS 65 1HZ LYS 65 4.792 14.369 -4.869 451 2HZ LYS 65 2HZ LYS 65 5.057 15.005 -6.414 452 3HZ LYS 65 3HZ LYS 65 6.370 14.533 -5.459 453 H GLY 66 H GLY 66 10.292 11.606 -4.526 454 1HA GLY 66 2HA GLY 66 10.925 10.351 -7.043 455 2HA GLY 66 1HA GLY 66 11.929 11.492 -6.161 456 H ARG 67 H ARG 67 10.643 8.512 -4.802 457 HA ARG 67 HA ARG 67 13.237 7.207 -5.068 458 1HB ARG 67 2HB ARG 67 12.622 6.635 -2.446 459 2HB ARG 67 1HB ARG 67 13.849 7.767 -2.988 460 1HG ARG 67 2HG ARG 67 11.123 8.842 -2.802 461 2HG ARG 67 1HG ARG 67 11.883 8.376 -1.274 462 1HD ARG 67 2HD ARG 67 13.819 9.769 -2.797 463 2HD ARG 67 1HD ARG 67 12.326 10.705 -2.870 464 HE ARG 67 HE ARG 67 13.344 9.803 -0.270 465 1HH1 ARG 67 1HH1 ARG 67 12.602 12.383 -2.494 466 2HH1 ARG 67 2HH1 ARG 67 12.727 13.625 -1.294 467 1HH2 ARG 67 1HH2 ARG 67 13.510 11.436 1.314 468 2HH2 ARG 67 2HH2 ARG 67 13.242 13.088 0.869 469 H PHE 68 H PHE 68 10.072 6.872 -3.449 470 HA PHE 68 HA PHE 68 10.077 4.051 -4.256 471 1HB PHE 68 2HB PHE 68 8.462 5.447 -2.119 472 2HB PHE 68 1HB PHE 68 8.372 3.731 -2.499 473 HD1 PHE 68 1HD PHE 68 9.040 5.002 0.186 474 HD2 PHE 68 2HD PHE 68 11.482 3.591 -3.001 475 HE1 PHE 68 1HE PHE 68 10.863 4.559 1.779 476 HE2 PHE 68 2HE PHE 68 13.305 3.146 -1.414 477 HZ PHE 68 HZ PHE 68 12.995 3.631 0.977 478 H THR 69 H THR 69 8.774 3.367 -5.788 479 HA THR 69 HA THR 69 6.563 5.108 -6.644 480 HB THR 69 HB THR 69 8.166 3.027 -8.125 481 HG1 THR 69 1HG THR 69 8.675 4.753 -9.415 482 1HG2 THR 69 1HG2 THR 69 6.651 3.139 -9.979 483 2HG2 THR 69 2HG2 THR 69 5.667 4.360 -9.174 484 3HG2 THR 69 3HG2 THR 69 5.706 2.710 -8.552 485 H ILE 70 H ILE 70 4.513 4.416 -6.553 486 HA ILE 70 HA ILE 70 4.076 1.744 -5.431 487 HB ILE 70 HB ILE 70 3.220 4.059 -4.420 488 1HG1 ILE 70 2HG1 ILE 70 1.980 1.330 -4.378 489 2HG1 ILE 70 1HG1 ILE 70 2.908 2.159 -3.131 490 1HG2 ILE 70 1HG2 ILE 70 0.834 3.213 -6.047 491 2HG2 ILE 70 2HG2 ILE 70 1.896 4.549 -6.490 492 3HG2 ILE 70 3HG2 ILE 70 0.981 4.612 -4.984 493 1HD1 ILE 70 1HD1 ILE 70 0.909 3.754 -2.995 494 2HD1 ILE 70 2HD1 ILE 70 0.762 2.144 -2.289 495 3HD1 ILE 70 3HD1 ILE 70 0.033 2.490 -3.859 496 H SER 71 H SER 71 3.139 0.216 -6.602 497 HA SER 71 HA SER 71 1.269 0.826 -8.710 498 1HB SER 71 2HB SER 71 2.716 -0.561 -10.365 499 2HB SER 71 1HB SER 71 3.124 1.134 -10.103 500 HG SER 71 HG SER 71 4.779 -0.774 -9.911 501 H ARG 72 H ARG 72 -0.144 -0.782 -8.967 502 HA ARG 72 HA ARG 72 0.501 -3.382 -7.734 503 1HB ARG 72 2HB ARG 72 -2.024 -3.546 -7.390 504 2HB ARG 72 1HB ARG 72 -1.152 -2.415 -6.363 505 1HG ARG 72 2HG ARG 72 -2.070 -0.577 -7.367 506 2HG ARG 72 1HG ARG 72 -2.338 -1.411 -8.898 507 1HD ARG 72 2HD ARG 72 -3.913 -2.795 -7.087 508 2HD ARG 72 1HD ARG 72 -4.098 -1.109 -6.610 509 HE ARG 72 HE ARG 72 -5.207 -2.352 -8.901 510 1HH1 ARG 72 1HH1 ARG 72 -3.796 0.645 -7.816 511 2HH1 ARG 72 2HH1 ARG 72 -4.641 1.611 -8.979 512 1HH2 ARG 72 1HH2 ARG 72 -6.320 -1.088 -10.433 513 2HH2 ARG 72 2HH2 ARG 72 -6.076 0.626 -10.465 514 H ASP 73 H ASP 73 -1.358 -5.019 -8.554 515 HA ASP 73 HA ASP 73 -1.107 -4.998 -11.480 516 1HB ASP 73 2HB ASP 73 -0.215 -6.923 -9.955 517 2HB ASP 73 1HB ASP 73 -1.905 -7.416 -9.892 518 H ASN 74 H ASN 74 -2.852 -4.821 -12.731 519 HA ASN 74 HA ASN 74 -5.426 -4.395 -11.544 520 1HB ASN 74 2HB ASN 74 -6.021 -4.448 -14.150 521 2HB ASN 74 1HB ASN 74 -5.261 -3.054 -13.390 522 1HD2 ASN 74 1HD2 ASN 74 -4.632 -5.977 -15.237 523 2HD2 ASN 74 2HD2 ASN 74 -3.167 -5.422 -15.965 524 H ALA 75 H ALA 75 -7.233 -5.675 -11.624 525 HA ALA 75 HA ALA 75 -8.452 -7.598 -11.649 526 1HB ALA 75 1HB ALA 75 -8.172 -7.281 -14.100 527 2HB ALA 75 2HB ALA 75 -8.368 -8.966 -13.618 528 3HB ALA 75 3HB ALA 75 -6.769 -8.348 -14.033 529 H LYS 76 H LYS 76 -5.961 -7.468 -10.124 530 HA LYS 76 HA LYS 76 -5.581 -10.351 -9.764 531 1HB LYS 76 2HB LYS 76 -3.647 -8.652 -10.893 532 2HB LYS 76 1HB LYS 76 -3.115 -8.950 -9.242 533 1HG LYS 76 2HG LYS 76 -4.005 -11.295 -10.810 534 2HG LYS 76 1HG LYS 76 -2.480 -10.540 -11.277 535 1HD LYS 76 2HD LYS 76 -1.753 -10.717 -8.893 536 2HD LYS 76 1HD LYS 76 -3.219 -11.643 -8.569 537 1HE LYS 76 2HE LYS 76 -2.494 -13.259 -10.327 538 2HE LYS 76 1HE LYS 76 -0.971 -12.378 -10.438 539 1HZ LYS 76 1HZ LYS 76 -0.208 -13.422 -8.653 540 2HZ LYS 76 2HZ LYS 76 -1.567 -14.427 -8.706 541 3HZ LYS 76 3HZ LYS 76 -1.581 -13.037 -7.742 542 H ASN 77 H ASN 77 -3.524 -9.956 -7.762 543 HA ASN 77 HA ASN 77 -4.768 -8.328 -5.701 544 1HB ASN 77 2HB ASN 77 -4.847 -11.294 -5.768 545 2HB ASN 77 1HB ASN 77 -4.447 -10.553 -4.221 546 1HD2 ASN 77 1HD2 ASN 77 -6.016 -9.648 -3.034 547 2HD2 ASN 77 2HD2 ASN 77 -7.675 -9.552 -3.510 548 H THR 78 H THR 78 -2.633 -7.303 -6.255 549 HA THR 78 HA THR 78 -0.686 -8.113 -4.292 550 HB THR 78 HB THR 78 0.607 -7.826 -6.930 551 HG1 THR 78 1HG THR 78 -0.968 -9.241 -7.597 552 1HG2 THR 78 1HG2 THR 78 2.133 -9.434 -6.027 553 2HG2 THR 78 2HG2 THR 78 1.011 -9.851 -4.732 554 3HG2 THR 78 3HG2 THR 78 1.778 -8.264 -4.758 555 H LEU 79 H LEU 79 0.846 -6.534 -3.826 556 HA LEU 79 HA LEU 79 0.503 -3.940 -5.178 557 1HB LEU 79 2HB LEU 79 -0.581 -4.088 -2.894 558 2HB LEU 79 1HB LEU 79 1.025 -4.303 -2.227 559 HG LEU 79 HG LEU 79 1.658 -2.079 -3.163 560 1HD1 LEU 79 1HD1 LEU 79 -0.038 -0.568 -3.947 561 2HD1 LEU 79 2HD1 LEU 79 -1.290 -1.788 -3.706 562 3HD1 LEU 79 3HD1 LEU 79 -0.055 -2.023 -4.944 563 1HD2 LEU 79 1HD2 LEU 79 1.017 -1.067 -1.259 564 2HD2 LEU 79 2HD2 LEU 79 0.406 -2.668 -0.842 565 3HD2 LEU 79 3HD2 LEU 79 -0.686 -1.453 -1.505 566 H TYR 80 H TYR 80 2.364 -3.147 -5.968 567 HA TYR 80 HA TYR 80 4.876 -4.302 -4.952 568 1HB TYR 80 2HB TYR 80 4.216 -3.213 -7.693 569 2HB TYR 80 1HB TYR 80 5.821 -3.731 -7.189 570 HD1 TYR 80 1HD TYR 80 2.324 -4.987 -7.508 571 HD2 TYR 80 2HD TYR 80 6.471 -5.935 -7.519 572 HE1 TYR 80 1HE TYR 80 1.790 -7.284 -8.199 573 HE2 TYR 80 2HE TYR 80 5.950 -8.235 -8.210 574 HH TYR 80 HH TYR 80 2.591 -9.307 -8.649 575 H LEU 81 H LEU 81 6.740 -2.992 -4.860 576 HA LEU 81 HA LEU 81 6.309 -0.091 -4.884 577 1HB LEU 81 2HB LEU 81 6.152 -1.136 -2.532 578 2HB LEU 81 1HB LEU 81 7.873 -1.424 -2.684 579 HG LEU 81 HG LEU 81 7.242 0.632 -1.395 580 1HD1 LEU 81 1HD1 LEU 81 8.761 1.776 -3.596 581 2HD1 LEU 81 2HD1 LEU 81 9.360 0.208 -3.054 582 3HD1 LEU 81 3HD1 LEU 81 9.207 1.539 -1.906 583 1HD2 LEU 81 1HD2 LEU 81 5.444 1.126 -3.315 584 2HD2 LEU 81 2HD2 LEU 81 6.774 2.138 -3.878 585 3HD2 LEU 81 3HD2 LEU 81 6.111 2.373 -2.259 586 H GLN 82 H GLN 82 8.055 1.086 -5.526 587 HA GLN 82 HA GLN 82 10.363 -0.468 -6.488 588 1HB GLN 82 2HB GLN 82 9.010 0.710 -8.217 589 2HB GLN 82 1HB GLN 82 9.399 2.236 -7.438 590 1HG GLN 82 2HG GLN 82 10.936 2.166 -9.139 591 2HG GLN 82 1HG GLN 82 11.858 1.497 -7.794 592 1HE2 GLN 82 1HE2 GLN 82 12.369 -0.682 -7.781 593 2HE2 GLN 82 2HE2 GLN 82 12.226 -1.676 -9.188 594 H MET 83 H MET 83 11.887 -0.375 -4.966 595 HA MET 83 HA MET 83 12.323 2.065 -3.454 596 1HB MET 83 2HB MET 83 14.202 -0.159 -3.060 597 2HB MET 83 1HB MET 83 13.277 0.761 -1.880 598 1HG MET 83 2HG MET 83 11.258 -0.563 -2.671 599 2HG MET 83 1HG MET 83 12.412 -1.621 -3.479 600 1HE MET 83 1HE MET 83 10.895 -0.310 -0.282 601 2HE MET 83 2HE MET 83 11.159 -1.656 0.827 602 3HE MET 83 3HE MET 83 10.197 -1.892 -0.631 603 H ASN 84 H ASN 84 13.092 3.413 -5.124 604 HA ASN 84 HA ASN 84 15.817 2.772 -6.047 605 1HB ASN 84 2HB ASN 84 13.581 4.290 -7.371 606 2HB ASN 84 1HB ASN 84 15.256 4.528 -7.859 607 1HD2 ASN 84 1HD2 ASN 84 15.015 3.677 -9.883 608 2HD2 ASN 84 2HD2 ASN 84 14.720 2.001 -10.177 609 H SER 85 H SER 85 17.125 4.825 -6.514 610 HA SER 85 HA SER 85 18.227 6.620 -5.646 611 1HB SER 85 2HB SER 85 15.467 7.362 -5.894 612 2HB SER 85 1HB SER 85 16.140 8.134 -4.459 613 HG SER 85 HG SER 85 16.428 9.363 -6.399 614 H LEU 86 H LEU 86 17.614 4.279 -3.944 615 HA LEU 86 HA LEU 86 16.979 4.931 -1.326 616 1HB LEU 86 2HB LEU 86 19.099 2.908 -1.957 617 2HB LEU 86 1HB LEU 86 17.870 2.861 -0.707 618 HG LEU 86 HG LEU 86 16.311 2.848 -2.928 619 1HD1 LEU 86 1HD1 LEU 86 17.881 2.677 -4.614 620 2HD1 LEU 86 2HD1 LEU 86 17.466 0.989 -4.319 621 3HD1 LEU 86 3HD1 LEU 86 18.955 1.660 -3.654 622 1HD2 LEU 86 1HD2 LEU 86 15.805 1.281 -1.331 623 2HD2 LEU 86 2HD2 LEU 86 17.467 0.704 -1.210 624 3HD2 LEU 86 3HD2 LEU 86 16.476 0.254 -2.599 625 H LYS 87 H LYS 87 18.205 5.428 0.510 626 HA LYS 87 HA LYS 87 21.012 6.014 0.306 627 1HB LYS 87 2HB LYS 87 20.269 8.464 1.236 628 2HB LYS 87 1HB LYS 87 20.726 8.125 -0.427 629 1HG LYS 87 2HG LYS 87 18.725 9.381 -0.501 630 2HG LYS 87 1HG LYS 87 18.295 7.718 -0.906 631 1HD LYS 87 2HD LYS 87 17.463 7.344 1.330 632 2HD LYS 87 1HD LYS 87 18.016 8.941 1.838 633 1HE LYS 87 2HE LYS 87 16.420 9.408 -0.396 634 2HE LYS 87 1HE LYS 87 15.563 8.169 0.521 635 1HZ LYS 87 1HZ LYS 87 14.952 10.445 1.166 636 2HZ LYS 87 2HZ LYS 87 16.545 10.729 1.659 637 3HZ LYS 87 3HZ LYS 87 15.610 9.567 2.454 638 H SER 88 H SER 88 20.286 4.231 1.946 639 HA SER 88 HA SER 88 20.312 3.531 4.104 640 1HB SER 88 2HB SER 88 22.069 5.502 4.116 641 2HB SER 88 1HB SER 88 20.856 6.285 5.126 642 HG SER 88 HG SER 88 22.367 5.080 6.359 643 H GLU 89 H GLU 89 18.033 5.516 2.912 644 HA GLU 89 HA GLU 89 16.560 5.815 5.426 645 1HB GLU 89 2HB GLU 89 16.058 7.790 4.483 646 2HB GLU 89 1HB GLU 89 16.660 7.274 2.917 647 1HG GLU 89 2HG GLU 89 14.607 6.804 2.135 648 2HG GLU 89 1HG GLU 89 14.041 6.169 3.679 649 H ASP 90 H ASP 90 16.692 3.957 2.540 650 HA ASP 90 HA ASP 90 14.006 2.928 2.716 651 1HB ASP 90 2HB ASP 90 14.810 2.958 0.521 652 2HB ASP 90 1HB ASP 90 16.398 2.361 0.993 653 H THR 91 H THR 91 17.074 2.179 4.065 654 HA THR 91 HA THR 91 16.864 -0.574 4.491 655 HB THR 91 HB THR 91 18.169 1.416 6.352 656 HG1 THR 91 1HG THR 91 19.890 1.378 5.009 657 1HG2 THR 91 1HG2 THR 91 17.891 -1.384 6.494 658 2HG2 THR 91 2HG2 THR 91 18.904 -0.346 7.496 659 3HG2 THR 91 3HG2 THR 91 19.561 -1.066 6.027 660 H ALA 92 H ALA 92 14.769 -1.137 5.099 661 HA ALA 92 HA ALA 92 14.242 -1.316 7.846 662 1HB ALA 92 1HB ALA 92 13.408 0.715 8.269 663 2HB ALA 92 2HB ALA 92 11.992 0.185 7.362 664 3HB ALA 92 3HB ALA 92 13.261 1.106 6.556 665 H VAL 93 H VAL 93 11.737 -1.867 8.155 666 HA VAL 93 HA VAL 93 11.200 -3.959 6.199 667 HB VAL 93 HB VAL 93 9.616 -3.348 8.697 668 1HG1 VAL 93 1HG1 VAL 93 9.728 -5.612 6.750 669 2HG1 VAL 93 2HG1 VAL 93 8.326 -4.789 7.434 670 3HG1 VAL 93 3HG1 VAL 93 9.259 -5.914 8.423 671 1HG2 VAL 93 1HG2 VAL 93 11.217 -5.602 9.134 672 2HG2 VAL 93 2HG2 VAL 93 11.360 -4.020 9.901 673 3HG2 VAL 93 3HG2 VAL 93 12.289 -4.382 8.446 674 H TYR 94 H TYR 94 9.297 -4.109 4.977 675 HA TYR 94 HA TYR 94 7.651 -1.668 4.938 676 1HB TYR 94 2HB TYR 94 8.759 -3.227 2.604 677 2HB TYR 94 1HB TYR 94 7.446 -2.066 2.439 678 HD1 TYR 94 1HD TYR 94 7.981 0.120 1.906 679 HD2 TYR 94 2HD TYR 94 10.907 -2.288 3.839 680 HE1 TYR 94 1HE TYR 94 9.618 1.946 1.698 681 HE2 TYR 94 2HE TYR 94 12.547 -0.470 3.636 682 HH TYR 94 HH TYR 94 11.850 2.586 3.121 683 H TYR 95 H TYR 95 5.539 -1.953 5.083 684 HA TYR 95 HA TYR 95 4.444 -4.643 4.593 685 1HB TYR 95 2HB TYR 95 3.133 -2.753 6.512 686 2HB TYR 95 1HB TYR 95 3.063 -4.510 6.457 687 HD1 TYR 95 1HD TYR 95 4.785 -5.855 7.498 688 HD2 TYR 95 2HD TYR 95 4.980 -1.606 7.606 689 HE1 TYR 95 1HE TYR 95 6.478 -5.983 9.277 690 HE2 TYR 95 2HE TYR 95 6.680 -1.725 9.380 691 HH TYR 95 HH TYR 95 7.721 -4.839 10.725 692 H CYS 96 H CYS 96 2.664 -4.788 3.332 693 HA CYS 96 HA CYS 96 1.576 -2.289 2.248 694 1HB CYS 96 2HB CYS 96 1.839 -3.298 0.258 695 2HB CYS 96 1HB CYS 96 2.351 -4.787 1.042 696 H ALA 97 H ALA 97 -0.620 -1.914 2.363 697 HA ALA 97 HA ALA 97 -2.454 -3.930 3.273 698 1HB ALA 97 1HB ALA 97 -1.264 -2.037 5.180 699 2HB ALA 97 2HB ALA 97 -1.985 -3.629 5.443 700 3HB ALA 97 3HB ALA 97 -3.020 -2.214 5.265 701 H LYS 98 H LYS 98 -4.653 -3.039 3.692 702 HA LYS 98 HA LYS 98 -5.306 -1.187 1.568 703 1HB LYS 98 2HB LYS 98 -6.812 -2.951 1.624 704 2HB LYS 98 1HB LYS 98 -6.858 -2.993 3.379 705 1HG LYS 98 2HG LYS 98 -7.976 -0.622 3.051 706 2HG LYS 98 1HG LYS 98 -8.388 -1.309 1.478 707 1HD LYS 98 2HD LYS 98 -9.436 -3.220 2.585 708 2HD LYS 98 1HD LYS 98 -9.008 -2.548 4.160 709 1HE LYS 98 2HE LYS 98 -10.356 -0.526 2.714 710 2HE LYS 98 1HE LYS 98 -11.294 -2.009 2.537 711 1HZ LYS 98 1HZ LYS 98 -10.385 -0.874 5.128 712 2HZ LYS 98 2HZ LYS 98 -11.366 -2.237 4.921 713 3HZ LYS 98 3HZ LYS 98 -11.944 -0.708 4.491 714 H TYR 99 H TYR 99 -6.110 0.843 1.764 715 HA TYR 99 HA TYR 99 -5.650 2.196 4.275 716 1HB TYR 99 2HB TYR 99 -5.534 2.913 1.577 717 2HB TYR 99 1HB TYR 99 -6.902 3.815 2.217 718 HD1 TYR 99 1HD TYR 99 -6.503 5.873 3.179 719 HD2 TYR 99 2HD TYR 99 -3.350 3.020 3.066 720 HE1 TYR 99 1HE TYR 99 -4.965 7.546 4.115 721 HE2 TYR 99 2HE TYR 99 -1.803 4.685 4.005 722 HH TYR 99 HH TYR 99 -2.195 6.905 5.539 723 H SER 100 H SER 100 -7.158 3.268 5.519 724 HA SER 100 HA SER 100 -9.991 2.843 4.860 725 1HB SER 100 2HB SER 100 -8.645 1.461 6.860 726 2HB SER 100 1HB SER 100 -9.465 2.759 7.726 727 HG SER 100 HG SER 100 -10.824 0.964 7.538 728 H GLY 101 H GLY 101 -7.530 4.746 6.462 729 1HA GLY 101 2HA GLY 101 -9.330 7.052 6.377 730 2HA GLY 101 1HA GLY 101 -8.643 6.622 7.937 731 H GLY 102 H GLY 102 -6.489 7.046 8.362 732 1HA GLY 102 2HA GLY 102 -5.008 8.457 6.234 733 2HA GLY 102 1HA GLY 102 -5.124 9.127 7.856 734 H ALA 103 H ALA 103 -5.001 6.111 8.689 735 HA ALA 103 HA ALA 103 -2.077 5.846 8.440 736 1HB ALA 103 1HB ALA 103 -1.855 6.031 10.640 737 2HB ALA 103 2HB ALA 103 -2.923 4.646 10.866 738 3HB ALA 103 3HB ALA 103 -3.594 6.275 10.805 739 H LEU 104 H LEU 104 -1.401 3.926 7.695 740 HA LEU 104 HA LEU 104 -3.320 1.921 7.011 741 1HB LEU 104 2HB LEU 104 -1.114 2.588 5.792 742 2HB LEU 104 1HB LEU 104 -0.362 1.461 6.907 743 HG LEU 104 HG LEU 104 -1.692 -0.368 6.055 744 1HD1 LEU 104 1HD1 LEU 104 -3.652 1.269 5.550 745 2HD1 LEU 104 2HD1 LEU 104 -3.440 -0.185 4.573 746 3HD1 LEU 104 3HD1 LEU 104 -2.896 1.379 3.961 747 1HD2 LEU 104 1HD2 LEU 104 -0.205 1.317 4.097 748 2HD2 LEU 104 2HD2 LEU 104 -1.057 -0.120 3.529 749 3HD2 LEU 104 3HD2 LEU 104 0.199 -0.268 4.759 750 H ASP 105 H ASP 105 -3.437 -0.214 7.736 751 HA ASP 105 HA ASP 105 -2.732 -0.531 10.540 752 1HB ASP 105 2HB ASP 105 -4.912 -1.322 8.967 753 2HB ASP 105 1HB ASP 105 -4.068 -2.815 9.364 754 H ALA 106 H ALA 106 -1.991 -1.933 7.413 755 HA ALA 106 HA ALA 106 -0.337 -3.317 6.700 756 1HB ALA 106 1HB ALA 106 1.205 -1.846 7.731 757 2HB ALA 106 2HB ALA 106 1.708 -3.489 8.136 758 3HB ALA 106 3HB ALA 106 0.864 -2.504 9.332 759 H TRP 107 H TRP 107 -1.613 -5.174 6.636 760 HA TRP 107 HA TRP 107 -1.507 -6.941 8.960 761 1HB TRP 107 2HB TRP 107 -3.054 -7.585 6.472 762 2HB TRP 107 1HB TRP 107 -3.365 -8.092 8.128 763 HD1 TRP 107 HD TRP 107 -3.623 -5.465 9.658 764 HE1 TRP 107 1HE TRP 107 -5.497 -3.774 9.167 765 HE3 TRP 107 3HE TRP 107 -4.767 -6.909 4.906 766 HZ2 TRP 107 2HZ TRP 107 -7.227 -3.133 7.028 767 HZ3 TRP 107 3HZ TRP 107 -6.531 -5.703 3.699 768 HH2 TRP 107 HH TRP 107 -7.731 -3.859 4.738 769 H GLY 108 H GLY 108 -0.090 -6.418 5.970 770 1HA GLY 108 2HA GLY 108 0.582 -8.928 5.017 771 2HA GLY 108 1HA GLY 108 1.596 -7.506 4.844 772 H GLN 109 H GLN 109 2.849 -9.856 4.995 773 HA GLN 109 HA GLN 109 3.505 -10.662 7.653 774 1HB GLN 109 2HB GLN 109 3.845 -11.744 5.146 775 2HB GLN 109 1HB GLN 109 5.484 -11.282 5.584 776 1HG GLN 109 2HG GLN 109 4.157 -12.600 7.777 777 2HG GLN 109 1HG GLN 109 4.133 -13.593 6.320 778 1HE2 GLN 109 1HE2 GLN 109 6.482 -12.982 5.132 779 2HE2 GLN 109 2HE2 GLN 109 7.806 -13.458 6.133 780 H GLY 110 H GLY 110 4.952 -8.470 5.304 781 1HA GLY 110 2HA GLY 110 6.227 -6.578 5.994 782 2HA GLY 110 1HA GLY 110 6.690 -7.456 7.443 783 H THR 111 H THR 111 7.643 -6.484 4.381 784 HA THR 111 HA THR 111 9.604 -8.603 4.015 785 HB THR 111 HB THR 111 8.546 -7.845 1.996 786 HG1 THR 111 1HG THR 111 11.005 -8.102 2.181 787 1HG2 THR 111 1HG2 THR 111 9.595 -5.077 2.583 788 2HG2 THR 111 2HG2 THR 111 7.927 -5.580 2.854 789 3HG2 THR 111 3HG2 THR 111 8.593 -5.570 1.220 790 H GLN 112 H GLN 112 11.688 -8.465 4.588 791 HA GLN 112 HA GLN 112 12.582 -6.055 5.945 792 1HB GLN 112 2HB GLN 112 12.930 -8.272 6.985 793 2HB GLN 112 1HB GLN 112 13.959 -8.728 5.635 794 1HG GLN 112 2HG GLN 112 15.570 -8.084 7.074 795 2HG GLN 112 1HG GLN 112 15.226 -6.509 6.362 796 1HE2 GLN 112 1HE2 GLN 112 15.323 -5.029 7.885 797 2HE2 GLN 112 2HE2 GLN 112 14.641 -5.146 9.468 798 H VAL 113 H VAL 113 13.307 -4.504 4.621 799 HA VAL 113 HA VAL 113 15.109 -5.264 2.418 800 HB VAL 113 HB VAL 113 13.543 -2.708 2.809 801 1HG1 VAL 113 1HG1 VAL 113 15.301 -1.936 1.583 802 2HG1 VAL 113 2HG1 VAL 113 14.304 -2.567 0.272 803 3HG1 VAL 113 3HG1 VAL 113 15.655 -3.517 0.887 804 1HG2 VAL 113 1HG2 VAL 113 12.584 -5.120 1.974 805 2HG2 VAL 113 2HG2 VAL 113 13.043 -4.367 0.446 806 3HG2 VAL 113 3HG2 VAL 113 11.908 -3.554 1.524 807 H THR 114 H THR 114 17.162 -4.448 2.308 808 HA THR 114 HA THR 114 17.953 -2.471 4.329 809 HB THR 114 HB THR 114 19.623 -4.924 3.793 810 HG1 THR 114 1HG THR 114 17.498 -5.294 4.876 811 1HG2 THR 114 1HG2 THR 114 20.168 -2.471 5.037 812 2HG2 THR 114 2HG2 THR 114 21.155 -3.933 5.076 813 3HG2 THR 114 3HG2 THR 114 19.966 -3.636 6.346 814 H VAL 115 H VAL 115 19.824 -1.284 3.876 815 HA VAL 115 HA VAL 115 20.810 -1.457 1.104 816 HB VAL 115 HB VAL 115 20.517 1.149 2.579 817 1HG1 VAL 115 1HG1 VAL 115 21.897 1.612 0.837 818 2HG1 VAL 115 2HG1 VAL 115 20.352 1.795 0.007 819 3HG1 VAL 115 3HG1 VAL 115 21.269 0.298 -0.157 820 1HG2 VAL 115 1HG2 VAL 115 18.519 -0.125 0.715 821 2HG2 VAL 115 2HG2 VAL 115 18.458 1.544 1.281 822 3HG2 VAL 115 3HG2 VAL 115 18.289 0.216 2.430 823 H SER 116 H SER 116 22.853 -2.134 1.265 824 HA SER 116 HA SER 116 24.557 -0.902 3.324 825 1HB SER 116 2HB SER 116 24.251 -3.232 3.866 826 2HB SER 116 1HB SER 116 24.651 -3.718 2.219 827 HG SER 116 HG SER 116 26.661 -3.712 2.791 828 H SER 117 H SER 117 26.034 -3.033 1.073 829 HA SER 117 HA SER 117 26.597 -1.232 -1.024 830 1HB SER 117 2HB SER 117 29.061 -0.913 -0.443 831 2HB SER 117 1HB SER 117 27.915 0.045 0.494 832 HG SER 117 HG SER 117 29.739 -1.468 1.476 833 H GLN 118 H GLN 118 25.808 -3.645 -1.392 834 HA GLN 118 HA GLN 118 26.231 -5.609 -2.451 835 1HB GLN 118 2HB GLN 118 29.039 -4.540 -2.780 836 2HB GLN 118 1HB GLN 118 28.326 -5.877 -3.671 837 1HG GLN 118 2HG GLN 118 26.800 -3.390 -3.830 838 2HG GLN 118 1HG GLN 118 28.422 -3.292 -4.512 839 1HE2 GLN 118 1HE2 GLN 118 28.780 -4.117 -6.470 840 2HE2 GLN 118 2HE2 GLN 118 27.644 -5.046 -7.380 841 H SER 119 H SER 119 27.296 -7.689 -2.196 842 HA SER 119 HA SER 119 29.038 -7.991 0.114 843 1HB SER 119 2HB SER 119 27.619 -9.249 1.432 844 2HB SER 119 1HB SER 119 26.467 -8.124 0.713 845 HG SER 119 HG SER 119 26.143 -10.598 0.666 846 H GLU 120 H GLU 120 27.478 -9.271 -2.718 847 HA GLU 120 HA GLU 120 28.024 -10.915 -4.185 848 1HB GLU 120 2HB GLU 120 30.728 -10.734 -2.841 849 2HB GLU 120 1HB GLU 120 30.401 -11.563 -4.357 850 1HG GLU 120 2HG GLU 120 29.610 -9.357 -5.268 851 2HG GLU 120 1HG GLU 120 30.247 -8.615 -3.800 852 H GLN 121 H GLN 121 30.256 -12.104 -1.726 853 HA GLN 121 HA GLN 121 29.336 -14.744 -1.850 854 1HB GLN 121 2HB GLN 121 30.582 -13.767 0.676 855 2HB GLN 121 1HB GLN 121 30.905 -15.232 -0.238 856 1HG GLN 121 2HG GLN 121 32.642 -14.287 -1.220 857 2HG GLN 121 1HG GLN 121 31.638 -12.964 -1.810 858 1HE2 GLN 121 1HE2 GLN 121 30.892 -11.771 0.544 859 2HE2 GLN 121 2HE2 GLN 121 32.281 -11.104 1.323 860 H LYS 122 H LYS 122 27.869 -15.909 -0.698 861 HA LYS 122 HA LYS 122 26.261 -14.434 1.282 862 1HB LYS 122 2HB LYS 122 25.388 -15.384 -1.175 863 2HB LYS 122 1HB LYS 122 24.845 -16.610 -0.039 864 1HG LYS 122 2HG LYS 122 23.086 -15.045 -0.269 865 2HG LYS 122 1HG LYS 122 23.815 -14.766 1.313 866 1HD LYS 122 2HD LYS 122 25.108 -12.900 0.373 867 2HD LYS 122 1HD LYS 122 24.347 -13.174 -1.194 868 1HE LYS 122 2HE LYS 122 22.909 -12.444 1.354 869 2HE LYS 122 1HE LYS 122 23.287 -11.334 0.037 870 1HZ LYS 122 1HZ LYS 122 21.240 -11.897 -0.649 871 2HZ LYS 122 2HZ LYS 122 21.210 -13.345 0.224 872 3HZ LYS 122 3HZ LYS 122 22.001 -13.275 -1.270 873 H LEU 123 H LEU 123 26.472 -15.255 3.237 874 HA LEU 123 HA LEU 123 26.833 -16.690 4.962 875 1HB LEU 123 2HB LEU 123 24.673 -17.565 3.937 876 2HB LEU 123 1HB LEU 123 25.649 -18.817 3.191 877 HG LEU 123 HG LEU 123 26.224 -18.714 6.001 878 1HD1 LEU 123 1HD1 LEU 123 23.912 -17.717 6.041 879 2HD1 LEU 123 2HD1 LEU 123 24.120 -19.205 6.964 880 3HD1 LEU 123 3HD1 LEU 123 23.329 -19.247 5.387 881 1HD2 LEU 123 1HD2 LEU 123 26.319 -20.921 5.688 882 2HD2 LEU 123 2HD2 LEU 123 26.056 -20.573 3.980 883 3HD2 LEU 123 3HD2 LEU 123 24.691 -20.983 5.017 884 H ILE 124 H ILE 124 29.150 -16.456 4.487 885 HA ILE 124 HA ILE 124 30.469 -18.943 4.529 886 HB ILE 124 HB ILE 124 29.971 -18.919 2.111 887 1HG1 ILE 124 2HG1 ILE 124 32.922 -18.462 2.332 888 2HG1 ILE 124 1HG1 ILE 124 32.188 -19.775 3.247 889 1HG2 ILE 124 1HG2 ILE 124 30.458 -16.234 2.253 890 2HG2 ILE 124 2HG2 ILE 124 30.329 -17.170 0.764 891 3HG2 ILE 124 3HG2 ILE 124 31.914 -16.837 1.461 892 1HD1 ILE 124 1HD1 ILE 124 31.465 -19.630 0.398 893 2HD1 ILE 124 2HD1 ILE 124 31.828 -21.024 1.415 894 3HD1 ILE 124 3HD1 ILE 124 33.141 -20.044 0.762 895 H SER 125 H SER 125 32.656 -18.759 5.059 896 HA SER 125 HA SER 125 33.557 -16.009 5.615 897 1HB SER 125 2HB SER 125 33.153 -17.966 7.457 898 2HB SER 125 1HB SER 125 34.853 -18.234 7.070 899 HG SER 125 HG SER 125 34.400 -16.690 8.801 900 H GLU 126 H GLU 126 35.174 -19.176 5.426 901 HA GLU 126 HA GLU 126 37.495 -18.050 4.204 902 1HB GLU 126 2HB GLU 126 38.096 -20.527 3.890 903 2HB GLU 126 1HB GLU 126 37.919 -19.933 5.536 904 1HG GLU 126 2HG GLU 126 35.383 -20.848 4.692 905 2HG GLU 126 1HG GLU 126 36.569 -22.077 4.252 906 H GLU 127 H GLU 127 38.334 -19.538 2.201 907 HA GLU 127 HA GLU 127 38.240 -19.750 -0.062 908 1HB GLU 127 2HB GLU 127 36.330 -21.379 0.952 909 2HB GLU 127 1HB GLU 127 35.344 -20.359 -0.088 910 1HG GLU 127 2HG GLU 127 37.521 -21.018 -1.664 911 2HG GLU 127 1HG GLU 127 37.167 -22.498 -0.774 912 H ASP 128 H ASP 128 36.153 -19.290 -1.893 913 HA ASP 128 HA ASP 128 35.194 -17.637 -3.120 914 1HB ASP 128 2HB ASP 128 34.389 -17.135 -0.422 915 2HB ASP 128 1HB ASP 128 34.684 -15.590 -1.214 916 H LEU 129 H LEU 129 36.482 -16.579 -4.457 917 HA LEU 129 HA LEU 129 38.040 -15.151 -5.292 918 1HB LEU 129 2HB LEU 129 36.815 -13.732 -3.037 919 2HB LEU 129 1HB LEU 129 38.417 -13.150 -3.444 920 HG LEU 129 HG LEU 129 37.278 -13.240 -5.908 921 1HD1 LEU 129 1HD1 LEU 129 35.080 -12.164 -4.185 922 2HD1 LEU 129 2HD1 LEU 129 35.110 -13.862 -4.661 923 3HD1 LEU 129 3HD1 LEU 129 35.046 -12.602 -5.893 924 1HD2 LEU 129 1HD2 LEU 129 37.180 -10.862 -5.780 925 2HD2 LEU 129 2HD2 LEU 129 38.535 -11.391 -4.781 926 3HD2 LEU 129 3HD2 LEU 129 37.018 -10.906 -4.025 927 H ASN 130 H ASN 130 39.820 -13.493 -3.513 928 HA ASN 130 HA ASN 130 41.894 -13.627 -2.594 929 1HB ASN 130 2HB ASN 130 40.376 -15.072 -0.949 930 2HB ASN 130 1HB ASN 130 41.413 -16.370 -1.532 931 1HD2 ASN 130 1HD2 ASN 130 41.207 -15.222 1.125 932 2HD2 ASN 130 2HD2 ASN 130 42.785 -14.647 1.528 933 H HIS 131 H HIS 131 41.069 -15.127 -5.186 934 HA HIS 131 HA HIS 131 42.144 -16.195 -6.875 935 1HB HIS 131 2HB HIS 131 44.204 -14.891 -5.402 936 2HB HIS 131 1HB HIS 131 44.807 -16.472 -5.888 937 HD1 HIS 131 1HD HIS 131 45.568 -13.512 -7.029 938 HD2 HIS 131 2HD HIS 131 43.322 -16.473 -8.889 939 HE1 HIS 131 1HE HIS 131 45.727 -13.030 -9.491 940 HE2 HIS 131 2HE HIS 131 44.286 -14.781 -10.590 941 H HIS 132 H HIS 132 41.990 -18.277 -7.353 942 HA HIS 132 HA HIS 132 41.795 -20.284 -5.400 943 1HB HIS 132 2HB HIS 132 41.256 -20.080 -8.117 944 2HB HIS 132 1HB HIS 132 42.525 -21.297 -8.033 945 HD1 HIS 132 1HD HIS 132 38.941 -20.844 -7.607 946 HD2 HIS 132 2HD HIS 132 41.817 -23.534 -6.281 947 HE1 HIS 132 1HE HIS 132 37.662 -22.856 -6.809 948 HE2 HIS 132 2HE HIS 132 39.419 -24.451 -5.962 949 H HIS 133 H HIS 133 44.354 -19.773 -7.834 950 HA HIS 133 HA HIS 133 46.183 -21.279 -6.083 951 1HB HIS 133 2HB HIS 133 45.572 -21.650 -8.805 952 2HB HIS 133 1HB HIS 133 47.187 -20.950 -8.767 953 HD1 HIS 133 1HD HIS 133 49.037 -22.329 -7.496 954 HD2 HIS 133 2HD HIS 133 45.405 -24.286 -7.991 955 HE1 HIS 133 1HE HIS 133 49.510 -24.752 -7.020 956 HE2 HIS 133 2HE HIS 133 47.304 -25.923 -7.354 957 H HIS 134 H HIS 134 48.081 -20.378 -5.465 958 HA HIS 134 HA HIS 134 48.402 -17.531 -5.975 959 1HB HIS 134 2HB HIS 134 49.552 -19.463 -3.986 960 2HB HIS 134 1HB HIS 134 50.332 -17.907 -4.258 961 HD1 HIS 134 1HD HIS 134 48.675 -15.768 -3.885 962 HD2 HIS 134 2HD HIS 134 47.513 -19.382 -2.196 963 HE1 HIS 134 1HE HIS 134 46.962 -15.176 -2.142 964 HE2 HIS 134 2HE HIS 134 46.224 -17.384 -1.178 965 H HIS 135 H HIS 135 50.331 -20.504 -6.219 966 HA HIS 135 HA HIS 135 52.158 -21.051 -7.452 967 1HB HIS 135 2HB HIS 135 50.434 -19.537 -9.161 968 2HB HIS 135 1HB HIS 135 52.104 -19.140 -9.554 969 HD1 HIS 135 1HD HIS 135 52.037 -20.382 -11.796 970 HD2 HIS 135 2HD HIS 135 51.184 -22.797 -8.524 971 HE1 HIS 135 1HE HIS 135 52.110 -22.741 -12.664 972 HE2 HIS 135 2HE HIS 135 51.681 -24.188 -10.647 Start of MODEL 5 1 1H ASP 1 1HT ASP 1 -12.078 -10.057 10.138 2 2H ASP 1 2HT ASP 1 -10.675 -9.321 10.730 3 3H ASP 1 3HT ASP 1 -10.561 -10.710 9.773 4 HA ASP 1 HA ASP 1 -12.014 -8.874 8.297 5 1HB ASP 1 2HB ASP 1 -10.008 -7.668 10.059 6 2HB ASP 1 1HB ASP 1 -9.755 -7.283 8.360 7 H VAL 2 H VAL 2 -9.854 -7.845 6.752 8 HA VAL 2 HA VAL 2 -8.973 -10.331 5.509 9 HB VAL 2 HB VAL 2 -9.191 -9.288 3.549 10 1HG1 VAL 2 1HG1 VAL 2 -10.009 -6.753 4.930 11 2HG1 VAL 2 2HG1 VAL 2 -11.027 -8.194 4.945 12 3HG1 VAL 2 3HG1 VAL 2 -10.602 -7.429 3.413 13 1HG2 VAL 2 1HG2 VAL 2 -7.496 -7.085 4.707 14 2HG2 VAL 2 2HG2 VAL 2 -8.084 -7.090 3.044 15 3HG2 VAL 2 3HG2 VAL 2 -7.003 -8.367 3.600 16 H GLN 3 H GLN 3 -6.884 -10.948 5.290 17 HA GLN 3 HA GLN 3 -4.833 -9.198 6.472 18 1HB GLN 3 2HB GLN 3 -5.656 -11.551 7.584 19 2HB GLN 3 1HB GLN 3 -4.314 -12.094 6.585 20 1HG GLN 3 2HG GLN 3 -3.491 -9.749 7.944 21 2HG GLN 3 1HG GLN 3 -4.243 -10.827 9.120 22 1HE2 GLN 3 1HE2 GLN 3 -1.395 -10.006 7.800 23 2HE2 GLN 3 2HE2 GLN 3 -0.525 -11.486 7.991 24 H LEU 4 H LEU 4 -2.893 -9.052 5.407 25 HA LEU 4 HA LEU 4 -2.784 -10.422 2.800 26 1HB LEU 4 2HB LEU 4 -1.115 -8.041 3.077 27 2HB LEU 4 1HB LEU 4 -2.220 -8.497 1.795 28 HG LEU 4 HG LEU 4 -3.047 -7.233 4.411 29 1HD1 LEU 4 1HD1 LEU 4 -2.576 -6.079 1.680 30 2HD1 LEU 4 2HD1 LEU 4 -1.888 -5.572 3.222 31 3HD1 LEU 4 3HD1 LEU 4 -3.595 -5.289 2.884 32 1HD2 LEU 4 1HD2 LEU 4 -4.555 -8.720 2.609 33 2HD2 LEU 4 2HD2 LEU 4 -4.905 -7.038 2.209 34 3HD2 LEU 4 3HD2 LEU 4 -5.163 -7.625 3.852 35 H GLN 5 H GLN 5 -0.378 -10.301 1.933 36 HA GLN 5 HA GLN 5 1.526 -10.956 4.053 37 1HB GLN 5 2HB GLN 5 0.655 -13.115 3.557 38 2HB GLN 5 1HB GLN 5 0.695 -12.811 1.826 39 1HG GLN 5 2HG GLN 5 2.865 -13.360 1.642 40 2HG GLN 5 1HG GLN 5 3.291 -12.641 3.193 41 1HE2 GLN 5 1HE2 GLN 5 0.756 -15.007 2.724 42 2HE2 GLN 5 2HE2 GLN 5 1.524 -16.288 3.592 43 H ALA 6 H ALA 6 3.342 -9.883 3.690 44 HA ALA 6 HA ALA 6 3.942 -8.985 0.965 45 1HB ALA 6 1HB ALA 6 4.166 -7.780 3.564 46 2HB ALA 6 2HB ALA 6 4.295 -7.038 1.970 47 3HB ALA 6 3HB ALA 6 5.720 -7.751 2.730 48 H SER 7 H SER 7 5.697 -9.645 -0.122 49 HA SER 7 HA SER 7 7.759 -11.163 1.322 50 1HB SER 7 2HB SER 7 6.434 -12.869 0.321 51 2HB SER 7 1HB SER 7 6.308 -11.980 -1.196 52 HG SER 7 HG SER 7 7.991 -13.085 -1.771 53 H GLY 8 H GLY 8 9.790 -11.381 0.108 54 1HA GLY 8 2HA GLY 8 10.982 -10.569 -1.954 55 2HA GLY 8 1HA GLY 8 10.250 -9.011 -1.597 56 H GLY 9 H GLY 9 11.579 -7.618 -0.664 57 1HA GLY 9 2HA GLY 9 13.164 -6.754 0.765 58 2HA GLY 9 1HA GLY 9 13.129 -8.283 1.632 59 H GLY 10 H GLY 10 14.804 -6.322 -0.618 60 1HA GLY 10 2HA GLY 10 16.770 -8.490 -1.026 61 2HA GLY 10 1HA GLY 10 16.463 -7.227 -2.205 62 H LEU 11 H LEU 11 18.925 -7.306 -1.862 63 HA LEU 11 HA LEU 11 19.645 -5.353 0.227 64 1HB LEU 11 2HB LEU 11 20.681 -7.922 -0.207 65 2HB LEU 11 1HB LEU 11 21.896 -6.828 -0.838 66 HG LEU 11 HG LEU 11 22.511 -7.245 1.394 67 1HD1 LEU 11 1HD1 LEU 11 22.704 -4.907 0.818 68 2HD1 LEU 11 2HD1 LEU 11 22.246 -5.068 2.514 69 3HD1 LEU 11 3HD1 LEU 11 21.035 -4.619 1.313 70 1HD2 LEU 11 1HD2 LEU 11 20.195 -8.131 1.979 71 2HD2 LEU 11 2HD2 LEU 11 19.791 -6.464 2.390 72 3HD2 LEU 11 3HD2 LEU 11 21.087 -7.296 3.251 73 H VAL 12 H VAL 12 19.794 -3.421 -0.765 74 HA VAL 12 HA VAL 12 21.312 -3.312 -3.297 75 HB VAL 12 HB VAL 12 19.950 -1.616 -4.161 76 1HG1 VAL 12 1HG1 VAL 12 17.933 -2.675 -4.472 77 2HG1 VAL 12 2HG1 VAL 12 17.828 -3.203 -2.791 78 3HG1 VAL 12 3HG1 VAL 12 18.945 -4.001 -3.899 79 1HG2 VAL 12 1HG2 VAL 12 18.420 -1.390 -1.582 80 2HG2 VAL 12 2HG2 VAL 12 18.385 -0.308 -2.976 81 3HG2 VAL 12 3HG2 VAL 12 19.819 -0.382 -1.952 82 H GLN 13 H GLN 13 22.286 -1.209 -3.743 83 HA GLN 13 HA GLN 13 23.363 -0.027 -1.271 84 1HB GLN 13 2HB GLN 13 25.364 0.457 -2.430 85 2HB GLN 13 1HB GLN 13 24.936 -1.176 -2.919 86 1HG GLN 13 2HG GLN 13 24.092 1.160 -4.577 87 2HG GLN 13 1HG GLN 13 25.735 0.531 -4.690 88 1HE2 GLN 13 1HE2 GLN 13 25.384 -2.137 -4.479 89 2HE2 GLN 13 2HE2 GLN 13 24.444 -2.730 -5.801 90 HA PRO 14 HA PRO 14 21.546 3.923 -1.991 91 1HB PRO 14 2HB PRO 14 24.295 5.079 -1.942 92 2HB PRO 14 1HB PRO 14 22.864 5.542 -1.014 93 1HG PRO 14 2HG PRO 14 24.815 4.165 0.142 94 2HG PRO 14 1HG PRO 14 23.118 3.792 0.497 95 1HD PRO 14 2HD PRO 14 25.057 2.325 -1.239 96 2HD PRO 14 1HD PRO 14 23.792 1.687 -0.167 97 H GLY 15 H GLY 15 20.928 3.490 -4.171 98 1HA GLY 15 2HA GLY 15 21.176 5.142 -6.133 99 2HA GLY 15 1HA GLY 15 22.792 4.465 -6.236 100 H GLY 16 H GLY 16 21.138 1.902 -5.271 101 1HA GLY 16 2HA GLY 16 20.942 0.826 -7.949 102 2HA GLY 16 1HA GLY 16 20.740 -0.060 -6.448 103 H SER 17 H SER 17 18.819 -1.009 -6.534 104 HA SER 17 HA SER 17 16.428 0.469 -6.378 105 1HB SER 17 2HB SER 17 17.289 0.161 -9.017 106 2HB SER 17 1HB SER 17 16.056 -1.082 -8.808 107 HG SER 17 HG SER 17 15.649 1.597 -8.000 108 H LEU 18 H LEU 18 14.628 -0.834 -5.889 109 HA LEU 18 HA LEU 18 15.104 -3.730 -5.769 110 1HB LEU 18 2HB LEU 18 15.348 -2.135 -3.553 111 2HB LEU 18 1HB LEU 18 13.672 -2.639 -3.452 112 HG LEU 18 HG LEU 18 15.924 -4.613 -3.775 113 1HD1 LEU 18 1HD1 LEU 18 16.000 -3.063 -1.689 114 2HD1 LEU 18 2HD1 LEU 18 16.181 -4.806 -1.491 115 3HD1 LEU 18 3HD1 LEU 18 14.632 -4.036 -1.147 116 1HD2 LEU 18 1HD2 LEU 18 14.158 -5.948 -4.104 117 2HD2 LEU 18 2HD2 LEU 18 13.019 -4.744 -3.501 118 3HD2 LEU 18 3HD2 LEU 18 13.886 -5.781 -2.369 119 H ARG 19 H ARG 19 13.232 -5.017 -5.774 120 HA ARG 19 HA ARG 19 10.709 -3.597 -6.294 121 1HB ARG 19 2HB ARG 19 11.748 -4.430 -8.412 122 2HB ARG 19 1HB ARG 19 11.643 -6.064 -7.771 123 1HG ARG 19 2HG ARG 19 9.216 -5.891 -7.680 124 2HG ARG 19 1HG ARG 19 9.306 -4.233 -8.278 125 1HD ARG 19 2HD ARG 19 10.419 -6.582 -9.793 126 2HD ARG 19 1HD ARG 19 8.760 -6.019 -9.988 127 HE ARG 19 HE ARG 19 11.122 -4.345 -10.559 128 1HH1 ARG 19 1HH1 ARG 19 7.893 -5.443 -11.278 129 2HH1 ARG 19 2HH1 ARG 19 7.713 -4.414 -12.660 130 1HH2 ARG 19 1HH2 ARG 19 10.892 -2.989 -12.377 131 2HH2 ARG 19 2HH2 ARG 19 9.417 -3.020 -13.285 132 H VAL 20 H VAL 20 9.561 -4.039 -4.505 133 HA VAL 20 HA VAL 20 9.569 -6.806 -3.507 134 HB VAL 20 HB VAL 20 8.796 -5.983 -1.394 135 1HG1 VAL 20 1HG1 VAL 20 10.627 -4.105 -1.047 136 2HG1 VAL 20 2HG1 VAL 20 11.140 -4.657 -2.641 137 3HG1 VAL 20 3HG1 VAL 20 11.062 -5.794 -1.297 138 1HG2 VAL 20 1HG2 VAL 20 7.573 -3.989 -2.794 139 2HG2 VAL 20 2HG2 VAL 20 8.907 -3.124 -2.030 140 3HG2 VAL 20 3HG2 VAL 20 7.757 -4.023 -1.041 141 H SER 21 H SER 21 7.479 -7.649 -2.688 142 HA SER 21 HA SER 21 5.138 -6.501 -4.027 143 1HB SER 21 2HB SER 21 4.493 -8.609 -5.003 144 2HB SER 21 1HB SER 21 6.144 -8.254 -5.508 145 HG SER 21 HG SER 21 5.405 -10.453 -4.484 146 H CYS 22 H CYS 22 3.090 -7.560 -3.316 147 HA CYS 22 HA CYS 22 3.165 -8.979 -0.802 148 1HB CYS 22 2HB CYS 22 3.414 -6.578 -0.159 149 2HB CYS 22 1HB CYS 22 1.860 -6.258 -0.918 150 H ALA 23 H ALA 23 1.863 -10.593 -1.392 151 HA ALA 23 HA ALA 23 -0.487 -10.101 -3.004 152 1HB ALA 23 1HB ALA 23 0.246 -12.728 -1.750 153 2HB ALA 23 2HB ALA 23 1.048 -12.129 -3.202 154 3HB ALA 23 3HB ALA 23 -0.690 -12.427 -3.214 155 H ALA 24 H ALA 24 -2.178 -9.219 -2.000 156 HA ALA 24 HA ALA 24 -2.749 -9.806 0.779 157 1HB ALA 24 1HB ALA 24 -3.917 -7.925 -1.242 158 2HB ALA 24 2HB ALA 24 -3.071 -7.556 0.261 159 3HB ALA 24 3HB ALA 24 -4.706 -8.217 0.309 160 H SER 25 H SER 25 -4.600 -10.804 1.564 161 HA SER 25 HA SER 25 -6.174 -12.309 -0.421 162 1HB SER 25 2HB SER 25 -4.488 -13.628 1.026 163 2HB SER 25 1HB SER 25 -5.616 -13.342 2.352 164 HG SER 25 HG SER 25 -5.917 -14.906 0.053 165 H GLY 26 H GLY 26 -8.265 -11.828 -0.403 166 1HA GLY 26 2HA GLY 26 -10.137 -11.907 1.446 167 2HA GLY 26 1HA GLY 26 -9.366 -10.394 1.897 168 H PHE 27 H PHE 27 -8.836 -9.229 -0.508 169 HA PHE 27 HA PHE 27 -11.428 -9.114 -1.885 170 1HB PHE 27 2HB PHE 27 -11.413 -6.703 -1.874 171 2HB PHE 27 1HB PHE 27 -11.242 -7.266 -0.216 172 HD1 PHE 27 1HD PHE 27 -9.581 -5.624 -3.023 173 HD2 PHE 27 2HD PHE 27 -9.187 -6.917 1.012 174 HE1 PHE 27 1HE PHE 27 -7.564 -4.242 -2.783 175 HE2 PHE 27 2HE PHE 27 -7.167 -5.534 1.260 176 HZ PHE 27 HZ PHE 27 -6.354 -4.198 -0.643 177 H THR 28 H THR 28 -10.939 -7.229 -3.762 178 HA THR 28 HA THR 28 -8.598 -8.285 -5.211 179 HB THR 28 HB THR 28 -11.114 -7.260 -6.523 180 HG1 THR 28 1HG THR 28 -10.551 -9.995 -6.479 181 1HG2 THR 28 1HG2 THR 28 -9.327 -7.204 -8.057 182 2HG2 THR 28 2HG2 THR 28 -10.175 -8.712 -8.403 183 3HG2 THR 28 3HG2 THR 28 -8.673 -8.736 -7.477 184 H PHE 29 H PHE 29 -7.298 -6.874 -6.313 185 HA PHE 29 HA PHE 29 -7.333 -4.148 -5.440 186 1HB PHE 29 2HB PHE 29 -5.532 -5.790 -7.189 187 2HB PHE 29 1HB PHE 29 -5.359 -4.040 -7.147 188 HD1 PHE 29 1HD PHE 29 -6.003 -6.613 -4.518 189 HD2 PHE 29 2HD PHE 29 -3.525 -3.448 -5.913 190 HE1 PHE 29 1HE PHE 29 -4.626 -6.801 -2.487 191 HE2 PHE 29 2HE PHE 29 -2.144 -3.630 -3.887 192 HZ PHE 29 HZ PHE 29 -2.693 -5.308 -2.171 193 H SER 30 H SER 30 -6.458 -2.677 -7.533 194 HA SER 30 HA SER 30 -7.191 -1.356 -9.229 195 1HB SER 30 2HB SER 30 -6.867 -3.656 -10.384 196 2HB SER 30 1HB SER 30 -8.629 -3.732 -10.389 197 HG SER 30 HG SER 30 -7.319 -2.678 -12.235 198 H SER 31 H SER 31 -8.989 -2.056 -6.857 199 HA SER 31 HA SER 31 -11.287 -0.577 -7.824 200 1HB SER 31 2HB SER 31 -12.015 -2.856 -8.246 201 2HB SER 31 1HB SER 31 -11.566 -3.338 -6.611 202 HG SER 31 HG SER 31 -13.892 -2.586 -7.300 203 H TYR 32 H TYR 32 -9.257 -1.776 -5.329 204 HA TYR 32 HA TYR 32 -10.702 -0.204 -3.306 205 1HB TYR 32 2HB TYR 32 -8.985 -2.636 -3.182 206 2HB TYR 32 1HB TYR 32 -8.948 -1.537 -1.807 207 HD1 TYR 32 1HD TYR 32 -10.624 -1.639 -0.173 208 HD2 TYR 32 2HD TYR 32 -11.272 -3.507 -3.941 209 HE1 TYR 32 1HE TYR 32 -12.687 -2.660 0.693 210 HE2 TYR 32 2HE TYR 32 -13.336 -4.532 -3.085 211 HH TYR 32 HH TYR 32 -14.332 -4.120 0.289 212 H HIS 33 H HIS 33 -8.951 0.491 -1.517 213 HA HIS 33 HA HIS 33 -6.856 1.967 -2.972 214 1HB HIS 33 2HB HIS 33 -7.989 2.946 -0.376 215 2HB HIS 33 1HB HIS 33 -7.218 3.860 -1.667 216 HD1 HIS 33 1HD HIS 33 -8.706 4.775 -3.509 217 HD2 HIS 33 2HD HIS 33 -10.729 2.316 -0.838 218 HE1 HIS 33 1HE HIS 33 -11.147 5.072 -4.037 219 HE2 HIS 33 2HE HIS 33 -12.355 3.620 -2.370 220 H MET 34 H MET 34 -5.029 0.836 -2.586 221 HA MET 34 HA MET 34 -4.480 0.031 0.188 222 1HB MET 34 2HB MET 34 -3.409 -1.023 -2.426 223 2HB MET 34 1HB MET 34 -2.709 -1.439 -0.868 224 1HG MET 34 2HG MET 34 -5.623 -1.833 -1.187 225 2HG MET 34 1HG MET 34 -4.558 -2.925 -2.068 226 1HE MET 34 1HE MET 34 -2.431 -3.655 -1.006 227 2HE MET 34 2HE MET 34 -2.710 -4.916 0.196 228 3HE MET 34 3HE MET 34 -2.040 -3.361 0.689 229 H ALA 35 H ALA 35 -1.910 -0.132 0.450 230 HA ALA 35 HA ALA 35 -0.447 2.013 -0.768 231 1HB ALA 35 1HB ALA 35 -0.199 3.429 1.140 232 2HB ALA 35 2HB ALA 35 -1.123 2.318 2.151 233 3HB ALA 35 3HB ALA 35 -1.924 3.203 0.851 234 H TRP 36 H TRP 36 1.744 2.187 0.035 235 HA TRP 36 HA TRP 36 2.685 -0.334 1.209 236 1HB TRP 36 2HB TRP 36 3.755 1.499 -0.848 237 2HB TRP 36 1HB TRP 36 4.944 0.855 0.280 238 HD1 TRP 36 HD TRP 36 3.193 0.010 -2.855 239 HE1 TRP 36 1HE TRP 36 3.609 -2.441 -3.499 240 HE3 TRP 36 3HE TRP 36 5.183 -1.663 1.550 241 HZ2 TRP 36 2HZ TRP 36 4.637 -4.779 -2.303 242 HZ3 TRP 36 3HZ TRP 36 5.853 -4.025 1.715 243 HH2 TRP 36 HH TRP 36 5.586 -5.550 -0.175 244 H VAL 37 H VAL 37 3.939 -0.344 3.009 245 HA VAL 37 HA VAL 37 4.488 2.248 4.293 246 HB VAL 37 HB VAL 37 4.057 1.019 6.492 247 1HG1 VAL 37 1HG1 VAL 37 1.891 1.737 4.545 248 2HG1 VAL 37 2HG1 VAL 37 2.537 2.692 5.881 249 3HG1 VAL 37 3HG1 VAL 37 1.538 1.276 6.211 250 1HG2 VAL 37 1HG2 VAL 37 2.867 -0.968 6.540 251 2HG2 VAL 37 2HG2 VAL 37 4.005 -1.233 5.219 252 3HG2 VAL 37 3HG2 VAL 37 2.332 -0.803 4.867 253 H ARG 38 H ARG 38 6.143 2.070 6.068 254 HA ARG 38 HA ARG 38 8.091 -0.083 5.678 255 1HB ARG 38 2HB ARG 38 8.988 1.433 4.159 256 2HB ARG 38 1HB ARG 38 8.479 2.827 5.097 257 1HG ARG 38 2HG ARG 38 10.204 2.047 6.822 258 2HG ARG 38 1HG ARG 38 10.840 1.043 5.516 259 1HD ARG 38 2HD ARG 38 12.087 2.913 5.167 260 2HD ARG 38 1HD ARG 38 10.681 3.331 4.189 261 HE ARG 38 HE ARG 38 10.407 4.222 6.883 262 1HH1 ARG 38 1HH1 ARG 38 11.907 4.976 3.829 263 2HH1 ARG 38 2HH1 ARG 38 12.003 6.674 4.150 264 1HH2 ARG 38 1HH2 ARG 38 10.530 6.457 7.313 265 2HH2 ARG 38 2HH2 ARG 38 11.221 7.516 6.130 266 H GLN 39 H GLN 39 9.532 -0.392 7.462 267 HA GLN 39 HA GLN 39 9.177 1.348 9.782 268 1HB GLN 39 2HB GLN 39 7.426 -0.279 10.072 269 2HB GLN 39 1HB GLN 39 8.552 -1.604 9.804 270 1HG GLN 39 2HG GLN 39 9.684 -1.134 11.862 271 2HG GLN 39 1HG GLN 39 8.738 0.335 12.099 272 1HE2 GLN 39 1HE2 GLN 39 6.219 -0.513 11.500 273 2HE2 GLN 39 2HE2 GLN 39 5.708 -1.702 12.645 274 H ALA 40 H ALA 40 11.069 1.805 10.597 275 HA ALA 40 HA ALA 40 12.879 0.225 11.753 276 1HB ALA 40 1HB ALA 40 14.135 0.714 9.094 277 2HB ALA 40 2HB ALA 40 13.247 -0.771 9.444 278 3HB ALA 40 3HB ALA 40 14.662 -0.344 10.401 279 HA PRO 41 HA PRO 41 15.139 4.413 10.739 280 1HB PRO 41 2HB PRO 41 13.049 5.874 9.241 281 2HB PRO 41 1HB PRO 41 14.783 5.763 8.924 282 1HG PRO 41 2HG PRO 41 13.013 4.510 7.361 283 2HG PRO 41 1HG PRO 41 14.577 3.772 7.756 284 1HD PRO 41 2HD PRO 41 11.872 3.215 8.923 285 2HD PRO 41 1HD PRO 41 13.151 2.079 8.450 286 H GLY 42 H GLY 42 11.776 5.460 10.395 287 1HA GLY 42 2HA GLY 42 11.904 6.748 13.014 288 2HA GLY 42 1HA GLY 42 10.617 6.928 11.822 289 H LYS 43 H LYS 43 11.191 3.808 11.757 290 HA LYS 43 HA LYS 43 9.977 1.994 12.329 291 1HB LYS 43 2HB LYS 43 10.317 1.263 14.506 292 2HB LYS 43 1HB LYS 43 11.644 2.377 14.222 293 1HG LYS 43 2HG LYS 43 10.547 4.092 15.506 294 2HG LYS 43 1HG LYS 43 9.106 3.086 15.682 295 1HD LYS 43 2HD LYS 43 11.837 2.329 16.712 296 2HD LYS 43 1HD LYS 43 10.594 3.113 17.687 297 1HE LYS 43 2HE LYS 43 9.519 0.819 16.316 298 2HE LYS 43 1HE LYS 43 10.942 0.370 17.256 299 1HZ LYS 43 1HZ LYS 43 9.217 0.155 18.759 300 2HZ LYS 43 2HZ LYS 43 8.396 1.523 18.196 301 3HZ LYS 43 3HZ LYS 43 9.804 1.702 19.116 302 H GLY 44 H GLY 44 8.212 1.368 14.348 303 1HA GLY 44 2HA GLY 44 5.964 1.492 14.834 304 2HA GLY 44 1HA GLY 44 6.156 3.243 14.780 305 H LEU 45 H LEU 45 7.132 1.552 12.011 306 HA LEU 45 HA LEU 45 6.353 1.339 9.907 307 1HB LEU 45 2HB LEU 45 4.159 0.684 11.480 308 2HB LEU 45 1HB LEU 45 3.532 1.869 10.356 309 HG LEU 45 HG LEU 45 3.276 0.259 8.848 310 1HD1 LEU 45 1HD1 LEU 45 6.033 0.736 8.715 311 2HD1 LEU 45 2HD1 LEU 45 4.998 0.021 7.484 312 3HD1 LEU 45 3HD1 LEU 45 5.830 -1.009 8.644 313 1HD2 LEU 45 1HD2 LEU 45 4.543 -1.396 10.988 314 2HD2 LEU 45 2HD2 LEU 45 4.125 -2.106 9.429 315 3HD2 LEU 45 3HD2 LEU 45 2.870 -1.377 10.431 316 H GLU 46 H GLU 46 5.418 2.564 8.130 317 HA GLU 46 HA GLU 46 4.555 5.263 8.585 318 1HB GLU 46 2HB GLU 46 6.572 6.241 8.601 319 2HB GLU 46 1HB GLU 46 7.370 4.713 8.271 320 1HG GLU 46 2HG GLU 46 7.602 5.154 6.067 321 2HG GLU 46 1HG GLU 46 6.077 6.034 5.966 322 H TRP 47 H TRP 47 3.201 5.773 6.995 323 HA TRP 47 HA TRP 47 2.924 4.047 4.729 324 1HB TRP 47 2HB TRP 47 0.870 4.913 5.410 325 2HB TRP 47 1HB TRP 47 1.529 6.523 5.693 326 HD1 TRP 47 HD TRP 47 0.788 4.203 2.676 327 HE1 TRP 47 1HE TRP 47 0.112 5.680 0.687 328 HE3 TRP 47 3HE TRP 47 1.401 8.799 4.831 329 HZ2 TRP 47 2HZ TRP 47 -0.138 8.429 0.104 330 HZ3 TRP 47 3HZ TRP 47 0.923 10.804 3.487 331 HH2 TRP 47 HH TRP 47 0.169 10.621 1.172 332 H VAL 48 H VAL 48 4.354 4.131 3.097 333 HA VAL 48 HA VAL 48 5.743 6.599 2.503 334 HB VAL 48 HB VAL 48 6.696 5.164 0.573 335 1HG1 VAL 48 1HG1 VAL 48 8.484 5.063 1.890 336 2HG1 VAL 48 2HG1 VAL 48 7.711 3.870 2.936 337 3HG1 VAL 48 3HG1 VAL 48 7.451 5.592 3.218 338 1HG2 VAL 48 1HG2 VAL 48 6.758 2.718 1.269 339 2HG2 VAL 48 2HG2 VAL 48 5.299 3.309 0.475 340 3HG2 VAL 48 3HG2 VAL 48 5.323 3.086 2.227 341 H SER 49 H SER 49 3.806 4.308 0.587 342 HA SER 49 HA SER 49 2.899 6.618 -1.020 343 1HB SER 49 2HB SER 49 3.191 4.019 -2.414 344 2HB SER 49 1HB SER 49 3.482 5.660 -3.000 345 HG SER 49 HG SER 49 5.426 4.488 -2.770 346 H THR 50 H THR 50 0.910 6.390 -2.136 347 HA THR 50 HA THR 50 -0.851 4.192 -1.322 348 HB THR 50 HB THR 50 -1.205 7.045 -0.593 349 HG1 THR 50 1HG THR 50 -2.072 6.114 1.194 350 1HG2 THR 50 1HG2 THR 50 -2.991 7.119 -2.089 351 2HG2 THR 50 2HG2 THR 50 -3.760 6.604 -0.587 352 3HG2 THR 50 3HG2 THR 50 -3.396 5.420 -1.842 353 H ILE 51 H ILE 51 -2.143 3.502 -2.962 354 HA ILE 51 HA ILE 51 -2.245 5.202 -5.374 355 HB ILE 51 HB ILE 51 -0.811 3.159 -5.593 356 1HG1 ILE 51 2HG1 ILE 51 -2.973 2.639 -7.518 357 2HG1 ILE 51 1HG1 ILE 51 -2.508 4.335 -7.395 358 1HG2 ILE 51 1HG2 ILE 51 -1.652 1.342 -4.582 359 2HG2 ILE 51 2HG2 ILE 51 -2.517 1.117 -6.102 360 3HG2 ILE 51 3HG2 ILE 51 -3.319 1.899 -4.740 361 1HD1 ILE 51 1HD1 ILE 51 -0.351 2.318 -7.658 362 2HD1 ILE 51 2HD1 ILE 51 -0.438 3.972 -8.260 363 3HD1 ILE 51 3HD1 ILE 51 -1.331 2.689 -9.077 364 H ASN 52 H ASN 52 -4.134 5.183 -6.617 365 HA ASN 52 HA ASN 52 -6.529 4.398 -5.122 366 1HB ASN 52 2HB ASN 52 -6.429 6.153 -7.576 367 2HB ASN 52 1HB ASN 52 -7.720 6.029 -6.384 368 1HD2 ASN 52 1HD2 ASN 52 -6.318 8.385 -7.284 369 2HD2 ASN 52 2HD2 ASN 52 -5.580 9.084 -5.888 370 HA PRO 53 HA PRO 53 -7.830 1.082 -7.698 371 1HB PRO 53 2HB PRO 53 -10.296 2.644 -8.315 372 2HB PRO 53 1HB PRO 53 -10.131 0.988 -7.721 373 1HG PRO 53 2HG PRO 53 -10.857 2.949 -6.077 374 2HG PRO 53 1HG PRO 53 -9.757 1.667 -5.536 375 1HD PRO 53 2HD PRO 53 -9.159 4.495 -6.267 376 2HD PRO 53 1HD PRO 53 -8.407 3.463 -5.034 377 H GLY 54 H GLY 54 -9.687 3.490 -9.471 378 1HA GLY 54 2HA GLY 54 -7.965 2.957 -11.812 379 2HA GLY 54 1HA GLY 54 -9.693 3.254 -11.905 380 H ASP 55 H ASP 55 -8.601 5.333 -9.623 381 HA ASP 55 HA ASP 55 -8.980 7.625 -11.196 382 1HB ASP 55 2HB ASP 55 -8.761 7.114 -8.500 383 2HB ASP 55 1HB ASP 55 -7.295 8.031 -8.832 384 H GLY 56 H GLY 56 -5.952 6.343 -9.803 385 1HA GLY 56 2HA GLY 56 -3.968 6.148 -11.164 386 2HA GLY 56 1HA GLY 56 -4.524 7.533 -12.090 387 H SER 57 H SER 57 -5.303 8.879 -9.507 388 HA SER 57 HA SER 57 -2.975 10.411 -9.163 389 1HB SER 57 2HB SER 57 -4.587 10.647 -6.827 390 2HB SER 57 1HB SER 57 -4.476 11.760 -8.192 391 HG SER 57 HG SER 57 -6.519 11.201 -8.365 392 H THR 58 H THR 58 -1.465 10.505 -7.492 393 HA THR 58 HA THR 58 -1.423 8.211 -5.651 394 HB THR 58 HB THR 58 1.263 8.916 -6.279 395 HG1 THR 58 1HG THR 58 0.403 9.661 -8.290 396 1HG2 THR 58 1HG2 THR 58 0.407 6.741 -5.447 397 2HG2 THR 58 2HG2 THR 58 1.450 6.583 -6.860 398 3HG2 THR 58 3HG2 THR 58 -0.301 6.449 -7.036 399 H TYR 59 H TYR 59 -0.500 8.557 -3.652 400 HA TYR 59 HA TYR 59 0.381 11.293 -3.038 401 1HB TYR 59 2HB TYR 59 -1.355 9.681 -1.170 402 2HB TYR 59 1HB TYR 59 -0.941 11.387 -1.061 403 HD1 TYR 59 1HD TYR 59 -3.125 8.916 -2.616 404 HD2 TYR 59 2HD TYR 59 -2.043 13.029 -2.511 405 HE1 TYR 59 1HE TYR 59 -5.194 9.484 -3.816 406 HE2 TYR 59 2HE TYR 59 -4.110 13.609 -3.711 407 HH TYR 59 HH TYR 59 -6.147 11.205 -5.133 408 H TYR 60 H TYR 60 2.048 11.460 -1.590 409 HA TYR 60 HA TYR 60 3.075 8.948 -0.448 410 1HB TYR 60 2HB TYR 60 4.566 11.120 -1.908 411 2HB TYR 60 1HB TYR 60 5.385 10.052 -0.773 412 HD1 TYR 60 1HD TYR 60 6.459 8.235 -1.682 413 HD2 TYR 60 2HD TYR 60 3.007 9.753 -3.651 414 HE1 TYR 60 1HE TYR 60 6.742 6.560 -3.461 415 HE2 TYR 60 2HE TYR 60 3.280 8.083 -5.434 416 HH TYR 60 HH TYR 60 5.460 6.719 -6.361 417 H ALA 61 H ALA 61 4.729 9.408 1.311 418 HA ALA 61 HA ALA 61 3.492 11.076 3.279 419 1HB ALA 61 1HB ALA 61 4.546 9.724 4.689 420 2HB ALA 61 2HB ALA 61 6.118 10.202 4.050 421 3HB ALA 61 3HB ALA 61 5.226 8.880 3.297 422 H ASP 62 H ASP 62 5.045 12.114 0.759 423 HA ASP 62 HA ASP 62 6.013 14.098 0.220 424 1HB ASP 62 2HB ASP 62 4.768 14.828 2.423 425 2HB ASP 62 1HB ASP 62 6.402 14.884 3.078 426 H SER 63 H SER 63 7.427 12.157 2.760 427 HA SER 63 HA SER 63 10.103 13.124 2.093 428 1HB SER 63 2HB SER 63 9.212 11.199 4.257 429 2HB SER 63 1HB SER 63 10.846 11.829 4.046 430 HG SER 63 HG SER 63 10.242 13.505 5.138 431 H VAL 64 H VAL 64 8.129 11.129 0.661 432 HA VAL 64 HA VAL 64 10.265 9.283 -0.133 433 HB VAL 64 HB VAL 64 8.428 7.489 -0.324 434 1HG1 VAL 64 1HG1 VAL 64 10.256 8.144 1.685 435 2HG1 VAL 64 2HG1 VAL 64 9.498 6.578 1.394 436 3HG1 VAL 64 3HG1 VAL 64 8.763 7.718 2.524 437 1HG2 VAL 64 1HG2 VAL 64 7.090 8.664 2.005 438 2HG2 VAL 64 2HG2 VAL 64 6.421 7.783 0.632 439 3HG2 VAL 64 3HG2 VAL 64 6.790 9.501 0.481 440 H LYS 65 H LYS 65 7.992 11.518 -1.017 441 HA LYS 65 HA LYS 65 6.854 10.470 -3.355 442 1HB LYS 65 2HB LYS 65 6.174 12.608 -2.250 443 2HB LYS 65 1HB LYS 65 7.644 13.349 -2.867 444 1HG LYS 65 2HG LYS 65 6.022 14.001 -4.389 445 2HG LYS 65 1HG LYS 65 6.798 12.628 -5.181 446 1HD LYS 65 2HD LYS 65 4.872 11.509 -5.246 447 2HD LYS 65 1HD LYS 65 4.633 11.729 -3.512 448 1HE LYS 65 2HE LYS 65 2.827 12.668 -5.013 449 2HE LYS 65 1HE LYS 65 3.508 13.780 -3.826 450 1HZ LYS 65 1HZ LYS 65 4.681 14.921 -5.453 451 2HZ LYS 65 2HZ LYS 65 3.204 14.599 -6.211 452 3HZ LYS 65 3HZ LYS 65 4.564 13.664 -6.581 453 H GLY 66 H GLY 66 7.752 9.863 -5.210 454 1HA GLY 66 2HA GLY 66 9.157 10.005 -7.077 455 2HA GLY 66 1HA GLY 66 10.073 11.269 -6.263 456 H ARG 67 H ARG 67 10.176 9.549 -3.819 457 HA ARG 67 HA ARG 67 12.687 8.327 -4.301 458 1HB ARG 67 2HB ARG 67 11.578 9.243 -2.086 459 2HB ARG 67 1HB ARG 67 10.990 7.592 -1.947 460 1HG ARG 67 2HG ARG 67 13.021 7.835 -0.692 461 2HG ARG 67 1HG ARG 67 13.312 6.783 -2.081 462 1HD ARG 67 2HD ARG 67 15.151 8.182 -2.136 463 2HD ARG 67 1HD ARG 67 14.043 8.967 -3.262 464 HE ARG 67 HE ARG 67 13.647 10.018 -0.684 465 1HH1 ARG 67 1HH1 ARG 67 16.006 10.032 -3.254 466 2HH1 ARG 67 2HH1 ARG 67 16.623 11.600 -2.850 467 1HH2 ARG 67 1HH2 ARG 67 14.454 12.076 -0.149 468 2HH2 ARG 67 2HH2 ARG 67 15.740 12.762 -1.084 469 H PHE 68 H PHE 68 9.515 6.970 -3.462 470 HA PHE 68 HA PHE 68 10.380 4.412 -4.645 471 1HB PHE 68 2HB PHE 68 8.347 4.966 -2.478 472 2HB PHE 68 1HB PHE 68 8.629 3.382 -3.189 473 HD1 PHE 68 1HD PHE 68 8.791 3.815 -0.305 474 HD2 PHE 68 2HD PHE 68 11.778 4.267 -3.310 475 HE1 PHE 68 1HE PHE 68 10.544 3.398 1.371 476 HE2 PHE 68 2HE PHE 68 13.531 3.847 -1.636 477 HZ PHE 68 HZ PHE 68 12.914 3.413 0.706 478 H THR 69 H THR 69 8.578 3.101 -5.561 479 HA THR 69 HA THR 69 6.527 4.798 -6.825 480 HB THR 69 HB THR 69 8.188 2.627 -8.116 481 HG1 THR 69 1HG THR 69 9.204 4.345 -8.804 482 1HG2 THR 69 1HG2 THR 69 5.759 4.008 -9.271 483 2HG2 THR 69 2HG2 THR 69 5.797 2.339 -8.703 484 3HG2 THR 69 3HG2 THR 69 6.780 2.824 -10.085 485 H ILE 70 H ILE 70 4.570 4.177 -6.322 486 HA ILE 70 HA ILE 70 4.140 1.448 -5.358 487 HB ILE 70 HB ILE 70 3.541 3.363 -3.891 488 1HG1 ILE 70 2HG1 ILE 70 1.687 1.198 -4.701 489 2HG1 ILE 70 1HG1 ILE 70 2.422 1.536 -3.139 490 1HG2 ILE 70 1HG2 ILE 70 1.123 3.884 -5.542 491 2HG2 ILE 70 2HG2 ILE 70 2.645 4.662 -5.976 492 3HG2 ILE 70 3HG2 ILE 70 1.944 4.924 -4.378 493 1HD1 ILE 70 1HD1 ILE 70 0.800 3.223 -2.670 494 2HD1 ILE 70 2HD1 ILE 70 -0.030 1.740 -3.147 495 3HD1 ILE 70 3HD1 ILE 70 0.120 3.077 -4.290 496 H SER 71 H SER 71 3.268 0.044 -6.674 497 HA SER 71 HA SER 71 1.061 0.775 -8.405 498 1HB SER 71 2HB SER 71 3.149 1.173 -9.752 499 2HB SER 71 1HB SER 71 3.518 -0.543 -9.581 500 HG SER 71 HG SER 71 2.423 -0.448 -11.448 501 H ARG 72 H ARG 72 -0.006 -1.122 -9.317 502 HA ARG 72 HA ARG 72 0.726 -3.675 -8.100 503 1HB ARG 72 2HB ARG 72 -1.442 -4.058 -7.149 504 2HB ARG 72 1HB ARG 72 -0.848 -2.518 -6.545 505 1HG ARG 72 2HG ARG 72 -2.469 -2.321 -8.978 506 2HG ARG 72 1HG ARG 72 -3.325 -2.938 -7.563 507 1HD ARG 72 2HD ARG 72 -3.476 -0.886 -6.737 508 2HD ARG 72 1HD ARG 72 -1.720 -0.741 -6.745 509 HE ARG 72 HE ARG 72 -1.843 0.456 -8.723 510 1HH1 ARG 72 1HH1 ARG 72 -4.977 -0.794 -7.856 511 2HH1 ARG 72 2HH1 ARG 72 -5.827 0.177 -9.012 512 1HH2 ARG 72 1HH2 ARG 72 -2.954 1.738 -10.248 513 2HH2 ARG 72 2HH2 ARG 72 -4.677 1.615 -10.371 514 H ASP 73 H ASP 73 -0.753 -5.458 -8.910 515 HA ASP 73 HA ASP 73 -1.072 -5.106 -11.794 516 1HB ASP 73 2HB ASP 73 -0.171 -7.235 -10.110 517 2HB ASP 73 1HB ASP 73 -1.575 -7.793 -11.014 518 H ASN 74 H ASN 74 -2.974 -5.531 -12.885 519 HA ASN 74 HA ASN 74 -5.387 -5.434 -11.238 520 1HB ASN 74 2HB ASN 74 -6.243 -5.217 -13.838 521 2HB ASN 74 1HB ASN 74 -5.864 -3.862 -12.780 522 1HD2 ASN 74 1HD2 ASN 74 -3.911 -2.777 -13.029 523 2HD2 ASN 74 2HD2 ASN 74 -2.957 -2.925 -14.461 524 H ALA 75 H ALA 75 -3.582 -7.834 -12.176 525 HA ALA 75 HA ALA 75 -5.818 -9.531 -13.076 526 1HB ALA 75 1HB ALA 75 -3.638 -11.011 -13.679 527 2HB ALA 75 2HB ALA 75 -2.998 -9.383 -13.900 528 3HB ALA 75 3HB ALA 75 -4.421 -9.901 -14.803 529 H LYS 76 H LYS 76 -4.190 -8.742 -10.391 530 HA LYS 76 HA LYS 76 -4.939 -11.128 -9.009 531 1HB LYS 76 2HB LYS 76 -2.541 -11.483 -8.132 532 2HB LYS 76 1HB LYS 76 -2.942 -12.110 -9.725 533 1HG LYS 76 2HG LYS 76 -1.939 -10.065 -10.718 534 2HG LYS 76 1HG LYS 76 -1.420 -9.591 -9.100 535 1HD LYS 76 2HD LYS 76 0.382 -10.878 -9.279 536 2HD LYS 76 1HD LYS 76 -0.633 -12.293 -9.563 537 1HE LYS 76 2HE LYS 76 -0.793 -11.380 -11.984 538 2HE LYS 76 1HE LYS 76 0.634 -10.441 -11.545 539 1HZ LYS 76 1HZ LYS 76 1.207 -12.971 -10.700 540 2HZ LYS 76 2HZ LYS 76 1.790 -12.238 -12.107 541 3HZ LYS 76 3HZ LYS 76 0.414 -13.220 -12.174 542 H ASN 77 H ASN 77 -4.618 -10.963 -6.696 543 HA ASN 77 HA ASN 77 -4.835 -8.220 -5.796 544 1HB ASN 77 2HB ASN 77 -5.197 -9.394 -3.537 545 2HB ASN 77 1HB ASN 77 -6.411 -9.649 -4.786 546 1HD2 ASN 77 1HD2 ASN 77 -6.963 -11.531 -3.520 547 2HD2 ASN 77 2HD2 ASN 77 -6.070 -12.993 -3.742 548 H THR 78 H THR 78 -2.562 -7.746 -6.391 549 HA THR 78 HA THR 78 -0.807 -8.324 -4.112 550 HB THR 78 HB THR 78 0.527 -8.188 -6.751 551 HG1 THR 78 1HG THR 78 -0.491 -10.692 -5.971 552 1HG2 THR 78 1HG2 THR 78 1.512 -10.330 -5.353 553 2HG2 THR 78 2HG2 THR 78 1.000 -9.241 -4.064 554 3HG2 THR 78 3HG2 THR 78 2.149 -8.686 -5.280 555 H LEU 79 H LEU 79 0.830 -6.778 -3.735 556 HA LEU 79 HA LEU 79 0.480 -4.218 -5.146 557 1HB LEU 79 2HB LEU 79 -0.493 -4.333 -2.790 558 2HB LEU 79 1HB LEU 79 1.157 -4.468 -2.220 559 HG LEU 79 HG LEU 79 1.672 -2.270 -3.233 560 1HD1 LEU 79 1HD1 LEU 79 -1.223 -1.717 -3.595 561 2HD1 LEU 79 2HD1 LEU 79 -0.370 -2.587 -4.870 562 3HD1 LEU 79 3HD1 LEU 79 0.179 -0.984 -4.375 563 1HD2 LEU 79 1HD2 LEU 79 -0.665 -2.281 -1.330 564 2HD2 LEU 79 2HD2 LEU 79 0.423 -0.922 -1.616 565 3HD2 LEU 79 3HD2 LEU 79 1.038 -2.408 -0.892 566 H TYR 80 H TYR 80 2.284 -3.487 -6.047 567 HA TYR 80 HA TYR 80 4.862 -4.558 -5.102 568 1HB TYR 80 2HB TYR 80 4.054 -3.640 -7.868 569 2HB TYR 80 1HB TYR 80 5.681 -4.130 -7.413 570 HD1 TYR 80 1HD TYR 80 2.177 -5.385 -7.582 571 HD2 TYR 80 2HD TYR 80 6.317 -6.365 -7.581 572 HE1 TYR 80 1HE TYR 80 1.619 -7.715 -8.138 573 HE2 TYR 80 2HE TYR 80 5.774 -8.695 -8.134 574 HH TYR 80 HH TYR 80 4.076 -10.039 -8.985 575 H LEU 81 H LEU 81 6.741 -3.139 -5.429 576 HA LEU 81 HA LEU 81 6.288 -0.325 -5.784 577 1HB LEU 81 2HB LEU 81 5.674 -0.608 -3.412 578 2HB LEU 81 1HB LEU 81 7.254 -1.300 -3.095 579 HG LEU 81 HG LEU 81 7.756 1.174 -4.328 580 1HD1 LEU 81 1HD1 LEU 81 6.171 1.943 -1.994 581 2HD1 LEU 81 2HD1 LEU 81 5.214 1.371 -3.365 582 3HD1 LEU 81 3HD1 LEU 81 6.334 2.720 -3.571 583 1HD2 LEU 81 1HD2 LEU 81 8.947 1.643 -2.405 584 2HD2 LEU 81 2HD2 LEU 81 8.922 -0.121 -2.438 585 3HD2 LEU 81 3HD2 LEU 81 7.827 0.758 -1.371 586 H GLN 82 H GLN 82 8.057 0.689 -6.508 587 HA GLN 82 HA GLN 82 10.522 -0.897 -6.679 588 1HB GLN 82 2HB GLN 82 9.195 0.129 -8.730 589 2HB GLN 82 1HB GLN 82 10.088 1.580 -8.294 590 1HG GLN 82 2HG GLN 82 11.725 0.801 -9.567 591 2HG GLN 82 1HG GLN 82 12.021 -0.384 -8.295 592 1HE2 GLN 82 1HE2 GLN 82 12.446 -2.234 -9.277 593 2HE2 GLN 82 2HE2 GLN 82 11.501 -2.955 -10.530 594 H MET 83 H MET 83 11.932 -0.394 -5.145 595 HA MET 83 HA MET 83 11.967 2.226 -3.928 596 1HB MET 83 2HB MET 83 13.589 -0.275 -3.454 597 2HB MET 83 1HB MET 83 13.829 1.217 -2.555 598 1HG MET 83 2HG MET 83 12.075 0.836 -1.241 599 2HG MET 83 1HG MET 83 11.057 0.337 -2.591 600 1HE MET 83 1HE MET 83 9.910 -1.535 -0.859 601 2HE MET 83 2HE MET 83 10.981 -0.806 0.337 602 3HE MET 83 3HE MET 83 10.934 -2.558 0.148 603 H ASN 84 H ASN 84 12.799 3.751 -5.221 604 HA ASN 84 HA ASN 84 15.320 3.208 -6.625 605 1HB ASN 84 2HB ASN 84 13.419 5.545 -6.923 606 2HB ASN 84 1HB ASN 84 14.833 5.225 -7.923 607 1HD2 ASN 84 1HD2 ASN 84 14.827 3.277 -9.205 608 2HD2 ASN 84 2HD2 ASN 84 13.328 2.649 -9.792 609 H SER 85 H SER 85 16.866 5.067 -6.725 610 HA SER 85 HA SER 85 18.271 6.571 -5.773 611 1HB SER 85 2HB SER 85 16.005 7.738 -5.253 612 2HB SER 85 1HB SER 85 16.273 7.166 -3.606 613 HG SER 85 HG SER 85 18.102 8.382 -3.478 614 H LEU 86 H LEU 86 16.498 5.416 -2.924 615 HA LEU 86 HA LEU 86 17.145 4.325 -1.044 616 1HB LEU 86 2HB LEU 86 19.355 3.219 -2.777 617 2HB LEU 86 1HB LEU 86 18.825 2.569 -1.240 618 HG LEU 86 HG LEU 86 17.724 1.131 -2.607 619 1HD1 LEU 86 1HD1 LEU 86 15.803 3.450 -2.723 620 2HD1 LEU 86 2HD1 LEU 86 15.983 2.337 -1.368 621 3HD1 LEU 86 3HD1 LEU 86 15.403 1.744 -2.923 622 1HD2 LEU 86 1HD2 LEU 86 16.991 3.077 -4.726 623 2HD2 LEU 86 2HD2 LEU 86 17.400 1.366 -4.849 624 3HD2 LEU 86 3HD2 LEU 86 18.674 2.561 -4.609 625 H LYS 87 H LYS 87 18.656 4.359 0.698 626 HA LYS 87 HA LYS 87 21.188 5.606 0.536 627 1HB LYS 87 2HB LYS 87 20.384 7.625 2.012 628 2HB LYS 87 1HB LYS 87 20.296 7.713 0.258 629 1HG LYS 87 2HG LYS 87 18.036 7.696 0.230 630 2HG LYS 87 1HG LYS 87 17.915 6.650 1.646 631 1HD LYS 87 2HD LYS 87 17.505 8.426 2.916 632 2HD LYS 87 1HD LYS 87 19.074 9.102 2.476 633 1HE LYS 87 2HE LYS 87 16.867 9.373 0.513 634 2HE LYS 87 1HE LYS 87 16.774 10.355 1.974 635 1HZ LYS 87 1HZ LYS 87 18.919 11.291 1.479 636 2HZ LYS 87 2HZ LYS 87 17.910 11.485 0.135 637 3HZ LYS 87 3HZ LYS 87 19.101 10.285 0.129 638 H SER 88 H SER 88 18.535 5.808 2.900 639 HA SER 88 HA SER 88 19.861 3.895 4.642 640 1HB SER 88 2HB SER 88 19.254 6.708 5.588 641 2HB SER 88 1HB SER 88 19.940 5.402 6.555 642 HG SER 88 HG SER 88 21.839 5.706 5.651 643 H GLU 89 H GLU 89 17.259 6.237 4.238 644 HA GLU 89 HA GLU 89 15.484 5.227 6.130 645 1HB GLU 89 2HB GLU 89 13.870 6.605 5.144 646 2HB GLU 89 1HB GLU 89 15.389 7.418 4.819 647 1HG GLU 89 2HG GLU 89 15.388 6.414 2.554 648 2HG GLU 89 1HG GLU 89 13.792 5.745 2.893 649 H ASP 90 H ASP 90 16.206 4.150 2.884 650 HA ASP 90 HA ASP 90 13.916 2.575 2.445 651 1HB ASP 90 2HB ASP 90 15.498 3.181 0.656 652 2HB ASP 90 1HB ASP 90 16.721 2.148 1.391 653 H THR 91 H THR 91 16.805 2.027 4.306 654 HA THR 91 HA THR 91 16.609 -0.792 4.521 655 HB THR 91 HB THR 91 17.816 0.992 6.629 656 HG1 THR 91 1HG THR 91 19.766 0.739 5.266 657 1HG2 THR 91 1HG2 THR 91 18.321 -1.017 7.477 658 2HG2 THR 91 2HG2 THR 91 19.467 -1.169 6.144 659 3HG2 THR 91 3HG2 THR 91 17.847 -1.849 5.996 660 H ALA 92 H ALA 92 14.464 -1.317 5.000 661 HA ALA 92 HA ALA 92 13.824 -1.504 7.752 662 1HB ALA 92 1HB ALA 92 13.170 0.958 6.780 663 2HB ALA 92 2HB ALA 92 12.383 0.173 8.157 664 3HB ALA 92 3HB ALA 92 11.668 0.065 6.543 665 H VAL 93 H VAL 93 11.521 -2.341 8.047 666 HA VAL 93 HA VAL 93 11.053 -4.365 6.013 667 HB VAL 93 HB VAL 93 9.458 -4.017 8.547 668 1HG1 VAL 93 1HG1 VAL 93 9.576 -6.639 8.168 669 2HG1 VAL 93 2HG1 VAL 93 9.846 -6.137 6.499 670 3HG1 VAL 93 3HG1 VAL 93 8.381 -5.635 7.346 671 1HG2 VAL 93 1HG2 VAL 93 11.152 -5.913 9.293 672 2HG2 VAL 93 2HG2 VAL 93 11.494 -4.203 9.560 673 3HG2 VAL 93 3HG2 VAL 93 12.224 -5.044 8.193 674 H TYR 94 H TYR 94 9.537 -4.186 4.493 675 HA TYR 94 HA TYR 94 7.591 -2.010 4.758 676 1HB TYR 94 2HB TYR 94 8.681 -3.437 2.333 677 2HB TYR 94 1HB TYR 94 7.340 -2.300 2.261 678 HD1 TYR 94 1HD TYR 94 7.854 -0.124 1.688 679 HD2 TYR 94 2HD TYR 94 10.802 -2.463 3.672 680 HE1 TYR 94 1HE TYR 94 9.444 1.746 1.521 681 HE2 TYR 94 2HE TYR 94 12.397 -0.599 3.510 682 HH TYR 94 HH TYR 94 12.664 1.551 2.982 683 H TYR 95 H TYR 95 5.427 -2.303 4.233 684 HA TYR 95 HA TYR 95 4.455 -5.040 3.899 685 1HB TYR 95 2HB TYR 95 3.094 -3.294 5.920 686 2HB TYR 95 1HB TYR 95 3.043 -5.042 5.755 687 HD1 TYR 95 1HD TYR 95 4.546 -6.421 6.948 688 HD2 TYR 95 2HD TYR 95 5.141 -2.205 6.903 689 HE1 TYR 95 1HE TYR 95 6.215 -6.642 8.739 690 HE2 TYR 95 2HE TYR 95 6.813 -2.421 8.689 691 HH TYR 95 HH TYR 95 7.945 -3.806 10.000 692 H CYS 96 H CYS 96 2.139 -5.090 3.337 693 HA CYS 96 HA CYS 96 1.317 -2.636 1.947 694 1HB CYS 96 2HB CYS 96 0.294 -3.939 0.252 695 2HB CYS 96 1HB CYS 96 1.864 -4.686 0.517 696 H ALA 97 H ALA 97 -0.777 -1.934 2.262 697 HA ALA 97 HA ALA 97 -2.594 -3.531 3.866 698 1HB ALA 97 1HB ALA 97 -2.071 -2.619 5.814 699 2HB ALA 97 2HB ALA 97 -2.577 -1.050 5.184 700 3HB ALA 97 3HB ALA 97 -0.891 -1.558 5.040 701 H LYS 98 H LYS 98 -4.664 -2.414 4.268 702 HA LYS 98 HA LYS 98 -5.471 -0.964 1.873 703 1HB LYS 98 2HB LYS 98 -7.062 -2.573 2.162 704 2HB LYS 98 1HB LYS 98 -6.808 -2.663 3.897 705 1HG LYS 98 2HG LYS 98 -7.966 -0.151 3.403 706 2HG LYS 98 1HG LYS 98 -8.863 -1.323 2.434 707 1HD LYS 98 2HD LYS 98 -8.914 -2.746 4.570 708 2HD LYS 98 1HD LYS 98 -8.447 -1.263 5.406 709 1HE LYS 98 2HE LYS 98 -10.788 -1.315 5.536 710 2HE LYS 98 1HE LYS 98 -10.431 -0.175 4.239 711 1HZ LYS 98 1HZ LYS 98 -12.201 -2.083 3.959 712 2HZ LYS 98 2HZ LYS 98 -10.837 -2.975 3.508 713 3HZ LYS 98 3HZ LYS 98 -11.244 -1.568 2.663 714 H TYR 99 H TYR 99 -6.689 0.997 1.992 715 HA TYR 99 HA TYR 99 -5.776 2.729 4.118 716 1HB TYR 99 2HB TYR 99 -6.300 3.097 1.423 717 2HB TYR 99 1HB TYR 99 -7.646 3.913 2.215 718 HD1 TYR 99 1HD TYR 99 -3.984 3.593 2.914 719 HD2 TYR 99 2HD TYR 99 -7.311 6.188 2.369 720 HE1 TYR 99 1HE TYR 99 -2.536 5.526 3.355 721 HE2 TYR 99 2HE TYR 99 -5.871 8.133 2.806 722 HH TYR 99 HH TYR 99 -2.387 7.771 3.285 723 H SER 100 H SER 100 -6.853 2.927 5.940 724 HA SER 100 HA SER 100 -9.724 2.379 6.005 725 1HB SER 100 2HB SER 100 -8.952 2.859 8.610 726 2HB SER 100 1HB SER 100 -9.049 1.271 7.850 727 HG SER 100 HG SER 100 -6.737 2.909 7.781 728 H GLY 101 H GLY 101 -7.494 4.779 7.429 729 1HA GLY 101 2HA GLY 101 -9.584 6.816 6.995 730 2HA GLY 101 1HA GLY 101 -8.740 6.703 8.532 731 H GLY 102 H GLY 102 -6.428 7.109 8.550 732 1HA GLY 102 2HA GLY 102 -5.249 8.351 6.212 733 2HA GLY 102 1HA GLY 102 -5.605 9.461 7.528 734 H ALA 103 H ALA 103 -4.882 6.371 8.660 735 HA ALA 103 HA ALA 103 -2.039 7.046 9.014 736 1HB ALA 103 1HB ALA 103 -2.072 6.647 11.293 737 2HB ALA 103 2HB ALA 103 -3.567 5.715 11.213 738 3HB ALA 103 3HB ALA 103 -3.612 7.470 11.038 739 H LEU 104 H LEU 104 -4.336 4.829 8.028 740 HA LEU 104 HA LEU 104 -4.262 2.679 7.305 741 1HB LEU 104 2HB LEU 104 -1.995 3.715 6.412 742 2HB LEU 104 1HB LEU 104 -1.293 2.586 7.554 743 HG LEU 104 HG LEU 104 -2.843 0.848 6.330 744 1HD1 LEU 104 1HD1 LEU 104 -2.284 2.431 3.916 745 2HD1 LEU 104 2HD1 LEU 104 -3.615 3.002 4.923 746 3HD1 LEU 104 3HD1 LEU 104 -3.633 1.356 4.287 747 1HD2 LEU 104 1HD2 LEU 104 -0.914 0.819 4.493 748 2HD2 LEU 104 2HD2 LEU 104 -0.655 0.291 6.157 749 3HD2 LEU 104 3HD2 LEU 104 -0.168 1.912 5.660 750 H ASP 105 H ASP 105 -3.404 0.428 7.880 751 HA ASP 105 HA ASP 105 -3.119 0.255 10.809 752 1HB ASP 105 2HB ASP 105 -5.157 -0.764 9.216 753 2HB ASP 105 1HB ASP 105 -4.127 -2.159 9.528 754 H ALA 106 H ALA 106 -2.083 -0.967 7.702 755 HA ALA 106 HA ALA 106 -0.234 -2.084 7.022 756 1HB ALA 106 1HB ALA 106 0.685 -1.208 9.732 757 2HB ALA 106 2HB ALA 106 1.161 -0.599 8.146 758 3HB ALA 106 3HB ALA 106 1.700 -2.194 8.679 759 H TRP 107 H TRP 107 -0.331 -4.151 6.633 760 HA TRP 107 HA TRP 107 -0.397 -6.043 8.879 761 1HB TRP 107 2HB TRP 107 -1.902 -6.464 6.292 762 2HB TRP 107 1HB TRP 107 -1.987 -7.442 7.753 763 HD1 TRP 107 HD TRP 107 -2.657 -5.453 9.968 764 HE1 TRP 107 1HE TRP 107 -4.840 -4.088 9.974 765 HE3 TRP 107 3HE TRP 107 -3.776 -5.715 4.999 766 HZ2 TRP 107 2HZ TRP 107 -6.783 -3.237 8.105 767 HZ3 TRP 107 3HZ TRP 107 -5.815 -4.606 4.181 768 HH2 TRP 107 HH TRP 107 -7.286 -3.394 5.704 769 H GLY 108 H GLY 108 -0.628 -8.007 6.425 770 1HA GLY 108 2HA GLY 108 0.807 -9.141 5.020 771 2HA GLY 108 1HA GLY 108 1.901 -7.773 5.117 772 H GLN 109 H GLN 109 3.162 -10.022 5.012 773 HA GLN 109 HA GLN 109 3.552 -11.258 7.583 774 1HB GLN 109 2HB GLN 109 4.025 -11.994 4.938 775 2HB GLN 109 1HB GLN 109 5.631 -11.791 5.624 776 1HG GLN 109 2HG GLN 109 3.640 -13.350 7.175 777 2HG GLN 109 1HG GLN 109 4.339 -14.087 5.735 778 1HE2 GLN 109 1HE2 GLN 109 5.326 -12.294 8.632 779 2HE2 GLN 109 2HE2 GLN 109 6.756 -13.218 8.926 780 H GLY 110 H GLY 110 5.566 -9.266 5.411 781 1HA GLY 110 2HA GLY 110 6.719 -7.381 6.622 782 2HA GLY 110 1HA GLY 110 7.241 -8.616 7.756 783 H THR 111 H THR 111 7.838 -7.073 4.737 784 HA THR 111 HA THR 111 9.947 -8.999 4.077 785 HB THR 111 HB THR 111 8.484 -8.351 2.227 786 HG1 THR 111 1HG THR 111 11.170 -8.100 2.265 787 1HG2 THR 111 1HG2 THR 111 9.558 -5.555 2.619 788 2HG2 THR 111 2HG2 THR 111 7.917 -6.079 3.000 789 3HG2 THR 111 3HG2 THR 111 8.481 -6.092 1.330 790 H GLN 112 H GLN 112 11.960 -8.642 4.719 791 HA GLN 112 HA GLN 112 12.685 -6.083 5.847 792 1HB GLN 112 2HB GLN 112 13.346 -8.172 6.959 793 2HB GLN 112 1HB GLN 112 14.308 -8.612 5.555 794 1HG GLN 112 2HG GLN 112 15.995 -7.691 6.688 795 2HG GLN 112 1HG GLN 112 15.316 -6.163 6.132 796 1HE2 GLN 112 1HE2 GLN 112 15.760 -4.862 7.806 797 2HE2 GLN 112 2HE2 GLN 112 15.199 -5.107 9.421 798 H VAL 113 H VAL 113 13.454 -4.496 4.680 799 HA VAL 113 HA VAL 113 14.993 -5.101 2.242 800 HB VAL 113 HB VAL 113 13.509 -2.576 2.998 801 1HG1 VAL 113 1HG1 VAL 113 15.417 -3.210 0.815 802 2HG1 VAL 113 2HG1 VAL 113 15.143 -1.697 1.678 803 3HG1 VAL 113 3HG1 VAL 113 14.018 -2.211 0.422 804 1HG2 VAL 113 1HG2 VAL 113 11.796 -3.213 1.632 805 2HG2 VAL 113 2HG2 VAL 113 12.327 -4.801 2.188 806 3HG2 VAL 113 3HG2 VAL 113 12.834 -4.205 0.606 807 H THR 114 H THR 114 17.134 -4.851 2.438 808 HA THR 114 HA THR 114 18.107 -2.884 4.410 809 HB THR 114 HB THR 114 20.149 -4.773 3.718 810 HG1 THR 114 1HG THR 114 18.291 -6.145 3.309 811 1HG2 THR 114 1HG2 THR 114 20.202 -5.120 6.128 812 2HG2 THR 114 2HG2 THR 114 18.639 -4.321 6.295 813 3HG2 THR 114 3HG2 THR 114 20.047 -3.402 5.762 814 H VAL 115 H VAL 115 19.895 -1.630 3.932 815 HA VAL 115 HA VAL 115 20.757 -1.592 1.118 816 HB VAL 115 HB VAL 115 20.151 0.828 2.827 817 1HG1 VAL 115 1HG1 VAL 115 22.080 0.729 0.963 818 2HG1 VAL 115 2HG1 VAL 115 21.111 2.168 1.281 819 3HG1 VAL 115 3HG1 VAL 115 20.695 1.103 -0.062 820 1HG2 VAL 115 1HG2 VAL 115 18.674 0.942 0.476 821 2HG2 VAL 115 2HG2 VAL 115 18.067 0.566 2.089 822 3HG2 VAL 115 3HG2 VAL 115 18.544 -0.737 1.001 823 H SER 116 H SER 116 22.910 -1.455 0.806 824 HA SER 116 HA SER 116 24.653 -0.401 2.865 825 1HB SER 116 2HB SER 116 24.189 -2.912 3.320 826 2HB SER 116 1HB SER 116 25.225 -3.199 1.922 827 HG SER 116 HG SER 116 25.935 -1.738 4.251 828 H SER 117 H SER 117 26.410 0.538 2.016 829 HA SER 117 HA SER 117 26.802 0.318 -0.874 830 1HB SER 117 2HB SER 117 26.534 2.563 0.293 831 2HB SER 117 1HB SER 117 28.129 2.287 0.994 832 HG SER 117 HG SER 117 28.848 3.094 -0.800 833 H GLN 118 H GLN 118 27.697 -1.737 1.051 834 HA GLN 118 HA GLN 118 29.467 -3.121 1.383 835 1HB GLN 118 2HB GLN 118 30.580 -1.604 -0.982 836 2HB GLN 118 1HB GLN 118 31.290 -3.067 -0.314 837 1HG GLN 118 2HG GLN 118 29.261 -4.306 -0.845 838 2HG GLN 118 1HG GLN 118 28.532 -2.839 -1.496 839 1HE2 GLN 118 1HE2 GLN 118 29.402 -1.938 -3.412 840 2HE2 GLN 118 2HE2 GLN 118 30.293 -2.912 -4.525 841 H SER 119 H SER 119 32.062 -3.020 1.561 842 HA SER 119 HA SER 119 32.557 -0.851 3.460 843 1HB SER 119 2HB SER 119 33.080 -2.841 4.530 844 2HB SER 119 1HB SER 119 33.700 -3.590 3.060 845 HG SER 119 HG SER 119 35.589 -3.001 3.735 846 H GLU 120 H GLU 120 33.256 0.899 2.362 847 HA GLU 120 HA GLU 120 35.868 0.744 1.125 848 1HB GLU 120 2HB GLU 120 34.897 2.145 -0.860 849 2HB GLU 120 1HB GLU 120 34.800 0.390 -0.893 850 1HG GLU 120 2HG GLU 120 32.472 1.025 0.348 851 2HG GLU 120 1HG GLU 120 32.675 2.399 -0.739 852 H GLN 121 H GLN 121 36.463 3.071 0.303 853 HA GLN 121 HA GLN 121 35.287 5.102 2.060 854 1HB GLN 121 2HB GLN 121 37.235 4.251 3.249 855 2HB GLN 121 1HB GLN 121 38.242 4.505 1.829 856 1HG GLN 121 2HG GLN 121 37.519 6.976 2.053 857 2HG GLN 121 1HG GLN 121 37.067 6.521 3.695 858 1HE2 GLN 121 1HE2 GLN 121 39.750 5.196 1.866 859 2HE2 GLN 121 2HE2 GLN 121 40.999 5.837 2.872 860 H LYS 122 H LYS 122 35.369 7.195 1.290 861 HA LYS 122 HA LYS 122 35.763 7.445 -1.560 862 1HB LYS 122 2HB LYS 122 33.923 8.510 0.036 863 2HB LYS 122 1HB LYS 122 35.116 9.799 0.148 864 1HG LYS 122 2HG LYS 122 34.315 10.628 -1.739 865 2HG LYS 122 1HG LYS 122 34.908 9.192 -2.576 866 1HD LYS 122 2HD LYS 122 32.629 8.209 -1.547 867 2HD LYS 122 1HD LYS 122 32.168 9.904 -1.724 868 1HE LYS 122 2HE LYS 122 31.693 8.359 -3.693 869 2HE LYS 122 1HE LYS 122 32.527 9.873 -4.042 870 1HZ LYS 122 1HZ LYS 122 33.351 7.435 -4.839 871 2HZ LYS 122 2HZ LYS 122 34.289 7.671 -3.452 872 3HZ LYS 122 3HZ LYS 122 34.348 8.797 -4.714 873 H LEU 123 H LEU 123 37.032 9.085 1.338 874 HA LEU 123 HA LEU 123 38.927 10.657 -0.038 875 1HB LEU 123 2HB LEU 123 38.007 10.540 2.525 876 2HB LEU 123 1HB LEU 123 39.612 9.861 2.711 877 HG LEU 123 HG LEU 123 40.343 11.992 1.353 878 1HD1 LEU 123 1HD1 LEU 123 37.671 12.772 2.497 879 2HD1 LEU 123 2HD1 LEU 123 38.205 12.880 0.819 880 3HD1 LEU 123 3HD1 LEU 123 38.915 13.936 2.041 881 1HD2 LEU 123 1HD2 LEU 123 40.350 13.240 3.621 882 2HD2 LEU 123 2HD2 LEU 123 41.249 11.730 3.468 883 3HD2 LEU 123 3HD2 LEU 123 39.672 11.741 4.258 884 H ILE 124 H ILE 124 41.278 10.467 0.084 885 HA ILE 124 HA ILE 124 42.116 7.786 -0.595 886 HB ILE 124 HB ILE 124 42.913 9.657 -1.942 887 1HG1 ILE 124 2HG1 ILE 124 45.465 8.913 -0.692 888 2HG1 ILE 124 1HG1 ILE 124 44.413 7.544 -1.039 889 1HG2 ILE 124 1HG2 ILE 124 44.105 11.460 -1.160 890 2HG2 ILE 124 2HG2 ILE 124 44.677 10.599 0.269 891 3HG2 ILE 124 3HG2 ILE 124 43.008 11.165 0.189 892 1HD1 ILE 124 1HD1 ILE 124 45.028 9.613 -3.114 893 2HD1 ILE 124 2HD1 ILE 124 44.432 7.967 -3.331 894 3HD1 ILE 124 3HD1 ILE 124 46.097 8.242 -2.818 895 H SER 125 H SER 125 43.429 6.464 0.553 896 HA SER 125 HA SER 125 44.969 7.343 2.794 897 1HB SER 125 2HB SER 125 42.467 7.138 3.569 898 2HB SER 125 1HB SER 125 42.813 5.409 3.566 899 HG SER 125 HG SER 125 44.820 6.672 4.776 900 H GLU 126 H GLU 126 46.498 5.857 3.391 901 HA GLU 126 HA GLU 126 47.912 4.096 3.136 902 1HB GLU 126 2HB GLU 126 45.476 2.407 2.598 903 2HB GLU 126 1HB GLU 126 46.989 1.921 3.348 904 1HG GLU 126 2HG GLU 126 45.201 3.963 4.614 905 2HG GLU 126 1HG GLU 126 44.945 2.235 4.844 906 H GLU 127 H GLU 127 47.077 5.629 0.748 907 HA GLU 127 HA GLU 127 47.810 3.623 -1.279 908 1HB GLU 127 2HB GLU 127 45.855 5.907 -1.585 909 2HB GLU 127 1HB GLU 127 46.447 4.921 -2.915 910 1HG GLU 127 2HG GLU 127 45.488 2.929 -1.793 911 2HG GLU 127 1HG GLU 127 44.794 4.001 -0.577 912 H ASP 128 H ASP 128 49.051 5.979 0.403 913 HA ASP 128 HA ASP 128 50.817 6.832 -1.744 914 1HB ASP 128 2HB ASP 128 50.618 9.242 -0.757 915 2HB ASP 128 1HB ASP 128 49.423 8.681 -1.922 916 H LEU 129 H LEU 129 52.369 5.574 -0.667 917 HA LEU 129 HA LEU 129 53.436 6.842 1.761 918 1HB LEU 129 2HB LEU 129 52.225 4.407 1.806 919 2HB LEU 129 1HB LEU 129 53.887 3.941 1.498 920 HG LEU 129 HG LEU 129 53.311 3.902 3.895 921 1HD1 LEU 129 1HD1 LEU 129 55.469 4.272 4.214 922 2HD1 LEU 129 2HD1 LEU 129 55.188 6.012 4.153 923 3HD1 LEU 129 3HD1 LEU 129 55.555 5.127 2.674 924 1HD2 LEU 129 1HD2 LEU 129 52.924 6.868 3.522 925 2HD2 LEU 129 2HD2 LEU 129 53.017 6.048 5.080 926 3HD2 LEU 129 3HD2 LEU 129 51.692 5.691 3.973 927 H ASN 130 H ASN 130 54.663 3.979 0.123 928 HA ASN 130 HA ASN 130 56.648 5.431 -1.369 929 1HB ASN 130 2HB ASN 130 57.406 5.230 1.137 930 2HB ASN 130 1HB ASN 130 57.777 3.568 0.689 931 1HD2 ASN 130 1HD2 ASN 130 59.928 4.525 1.385 932 2HD2 ASN 130 2HD2 ASN 130 60.909 5.189 0.128 933 H HIS 131 H HIS 131 57.327 4.274 -3.079 934 HA HIS 131 HA HIS 131 57.532 1.436 -3.094 935 1HB HIS 131 2HB HIS 131 55.774 1.169 -4.951 936 2HB HIS 131 1HB HIS 131 55.194 1.308 -3.295 937 HD1 HIS 131 1HD HIS 131 56.251 4.316 -5.278 938 HD2 HIS 131 2HD HIS 131 52.764 2.441 -4.016 939 HE1 HIS 131 1HE HIS 131 54.395 5.938 -5.779 940 HE2 HIS 131 2HE HIS 131 52.310 4.826 -4.905 941 H HIS 132 H HIS 132 58.732 4.152 -3.934 942 HA HIS 132 HA HIS 132 59.640 3.231 -6.577 943 1HB HIS 132 2HB HIS 132 58.128 5.519 -6.138 944 2HB HIS 132 1HB HIS 132 59.777 6.123 -6.249 945 HD1 HIS 132 1HD HIS 132 61.096 5.130 -8.493 946 HD2 HIS 132 2HD HIS 132 56.942 5.258 -8.551 947 HE1 HIS 132 1HE HIS 132 60.453 5.007 -10.921 948 HE2 HIS 132 2HE HIS 132 57.934 5.005 -10.926 949 H HIS 133 H HIS 133 60.561 6.025 -4.594 950 HA HIS 133 HA HIS 133 63.029 4.799 -3.757 951 1HB HIS 133 2HB HIS 133 64.526 6.324 -4.898 952 2HB HIS 133 1HB HIS 133 63.535 5.489 -6.090 953 HD1 HIS 133 1HD HIS 133 61.012 7.419 -5.618 954 HD2 HIS 133 2HD HIS 133 64.907 8.568 -6.494 955 HE1 HIS 133 1HE HIS 133 60.823 9.704 -6.649 956 HE2 HIS 133 2HE HIS 133 63.199 10.419 -7.081 957 H HIS 134 H HIS 134 60.567 7.018 -3.454 958 HA HIS 134 HA HIS 134 60.029 8.593 -1.909 959 1HB HIS 134 2HB HIS 134 60.908 6.787 -0.370 960 2HB HIS 134 1HB HIS 134 62.438 7.656 -0.346 961 HD1 HIS 134 1HD HIS 134 62.636 9.573 1.263 962 HD2 HIS 134 2HD HIS 134 58.718 8.265 0.813 963 HE1 HIS 134 1HE HIS 134 61.311 10.804 3.010 964 HE2 HIS 134 2HE HIS 134 58.950 9.963 2.750 965 H HIS 135 H HIS 135 63.453 8.783 -1.100 966 HA HIS 135 HA HIS 135 63.625 11.337 -2.546 967 1HB HIS 135 2HB HIS 135 63.874 10.857 0.339 968 2HB HIS 135 1HB HIS 135 65.216 11.765 -0.348 969 HD1 HIS 135 1HD HIS 135 64.860 14.204 -0.438 970 HD2 HIS 135 2HD HIS 135 61.264 12.120 -0.446 971 HE1 HIS 135 1HE HIS 135 63.063 15.963 -0.390 972 HE2 HIS 135 2HE HIS 135 60.897 14.680 -0.491 Start of MODEL 6 1 1H ASP 1 1HT ASP 1 -10.422 -8.619 9.713 2 2H ASP 1 2HT ASP 1 -10.971 -7.394 8.684 3 3H ASP 1 3HT ASP 1 -9.458 -8.104 8.421 4 HA ASP 1 HA ASP 1 -11.238 -10.199 8.431 5 1HB ASP 1 2HB ASP 1 -12.435 -7.691 7.517 6 2HB ASP 1 1HB ASP 1 -12.504 -8.964 6.301 7 H VAL 2 H VAL 2 -9.140 -7.947 6.921 8 HA VAL 2 HA VAL 2 -8.523 -9.919 4.818 9 HB VAL 2 HB VAL 2 -7.493 -7.754 3.692 10 1HG1 VAL 2 1HG1 VAL 2 -10.238 -8.887 3.625 11 2HG1 VAL 2 2HG1 VAL 2 -8.997 -8.848 2.372 12 3HG1 VAL 2 3HG1 VAL 2 -9.932 -7.396 2.733 13 1HG2 VAL 2 1HG2 VAL 2 -9.822 -6.594 5.212 14 2HG2 VAL 2 2HG2 VAL 2 -8.756 -5.760 4.080 15 3HG2 VAL 2 3HG2 VAL 2 -8.130 -6.320 5.631 16 H GLN 3 H GLN 3 -6.530 -10.716 4.802 17 HA GLN 3 HA GLN 3 -4.408 -9.258 6.231 18 1HB GLN 3 2HB GLN 3 -5.349 -11.310 7.443 19 2HB GLN 3 1HB GLN 3 -4.603 -12.264 6.168 20 1HG GLN 3 2HG GLN 3 -2.640 -10.478 7.116 21 2HG GLN 3 1HG GLN 3 -3.427 -11.188 8.525 22 1HE2 GLN 3 1HE2 GLN 3 -0.816 -11.518 6.784 23 2HE2 GLN 3 2HE2 GLN 3 -0.610 -13.232 6.777 24 H LEU 4 H LEU 4 -2.607 -8.927 5.070 25 HA LEU 4 HA LEU 4 -2.328 -10.437 2.555 26 1HB LEU 4 2HB LEU 4 -0.755 -8.018 2.651 27 2HB LEU 4 1HB LEU 4 -1.930 -8.540 1.462 28 HG LEU 4 HG LEU 4 -2.672 -7.194 4.059 29 1HD1 LEU 4 1HD1 LEU 4 -1.440 -5.576 2.882 30 2HD1 LEU 4 2HD1 LEU 4 -3.130 -5.231 2.519 31 3HD1 LEU 4 3HD1 LEU 4 -2.126 -6.063 1.332 32 1HD2 LEU 4 1HD2 LEU 4 -4.829 -7.242 3.366 33 2HD2 LEU 4 2HD2 LEU 4 -4.269 -8.684 2.519 34 3HD2 LEU 4 3HD2 LEU 4 -4.400 -7.150 1.659 35 H GLN 5 H GLN 5 0.147 -10.014 1.775 36 HA GLN 5 HA GLN 5 1.998 -10.516 3.965 37 1HB GLN 5 2HB GLN 5 1.031 -12.730 3.232 38 2HB GLN 5 1HB GLN 5 1.783 -12.459 1.666 39 1HG GLN 5 2HG GLN 5 3.952 -12.579 2.573 40 2HG GLN 5 1HG GLN 5 3.348 -12.464 4.225 41 1HE2 GLN 5 1HE2 GLN 5 4.423 -14.524 1.853 42 2HE2 GLN 5 2HE2 GLN 5 3.852 -16.018 2.508 43 H ALA 6 H ALA 6 3.542 -9.068 3.601 44 HA ALA 6 HA ALA 6 4.230 -8.328 0.865 45 1HB ALA 6 1HB ALA 6 3.829 -6.750 2.958 46 2HB ALA 6 2HB ALA 6 4.962 -6.335 1.672 47 3HB ALA 6 3HB ALA 6 5.557 -7.035 3.178 48 H SER 7 H SER 7 5.817 -9.351 -0.135 49 HA SER 7 HA SER 7 8.263 -9.988 1.328 50 1HB SER 7 2HB SER 7 6.936 -12.058 1.375 51 2HB SER 7 1HB SER 7 6.781 -12.003 -0.382 52 HG SER 7 HG SER 7 9.346 -11.927 0.730 53 H GLY 8 H GLY 8 10.125 -10.020 0.059 54 1HA GLY 8 2HA GLY 8 10.801 -10.228 -2.425 55 2HA GLY 8 1HA GLY 8 9.768 -8.818 -2.603 56 H GLY 9 H GLY 9 10.995 -8.388 0.343 57 1HA GLY 9 2HA GLY 9 12.690 -6.276 -0.366 58 2HA GLY 9 1HA GLY 9 12.630 -7.037 1.217 59 H GLY 10 H GLY 10 14.828 -6.063 -0.682 60 1HA GLY 10 2HA GLY 10 16.500 -8.472 -0.372 61 2HA GLY 10 1HA GLY 10 16.519 -7.567 -1.875 62 H LEU 11 H LEU 11 18.869 -7.719 -1.151 63 HA LEU 11 HA LEU 11 19.569 -5.469 0.614 64 1HB LEU 11 2HB LEU 11 20.538 -8.129 0.429 65 2HB LEU 11 1HB LEU 11 21.827 -7.075 -0.116 66 HG LEU 11 HG LEU 11 22.072 -7.529 2.245 67 1HD1 LEU 11 1HD1 LEU 11 21.177 -4.714 1.663 68 2HD1 LEU 11 2HD1 LEU 11 22.810 -5.364 1.528 69 3HD1 LEU 11 3HD1 LEU 11 22.052 -5.207 3.112 70 1HD2 LEU 11 1HD2 LEU 11 19.299 -6.376 2.517 71 2HD2 LEU 11 2HD2 LEU 11 20.375 -6.760 3.861 72 3HD2 LEU 11 3HD2 LEU 11 19.781 -8.047 2.812 73 H VAL 12 H VAL 12 19.910 -3.659 -0.562 74 HA VAL 12 HA VAL 12 21.478 -3.940 -3.047 75 HB VAL 12 HB VAL 12 20.266 -2.269 -4.127 76 1HG1 VAL 12 1HG1 VAL 12 18.814 -4.389 -2.881 77 2HG1 VAL 12 2HG1 VAL 12 18.570 -3.653 -4.465 78 3HG1 VAL 12 3HG1 VAL 12 17.768 -2.979 -3.046 79 1HG2 VAL 12 1HG2 VAL 12 19.897 -1.226 -1.480 80 2HG2 VAL 12 2HG2 VAL 12 18.352 -1.273 -2.330 81 3HG2 VAL 12 3HG2 VAL 12 19.721 -0.413 -3.034 82 H GLN 13 H GLN 13 22.167 -1.489 -3.664 83 HA GLN 13 HA GLN 13 23.777 -0.586 -1.378 84 1HB GLN 13 2HB GLN 13 24.147 -0.227 -4.360 85 2HB GLN 13 1HB GLN 13 25.175 0.524 -3.146 86 1HG GLN 13 2HG GLN 13 26.454 -1.282 -3.429 87 2HG GLN 13 1HG GLN 13 25.280 -2.070 -2.376 88 1HE2 GLN 13 1HE2 GLN 13 23.554 -3.263 -3.382 89 2HE2 GLN 13 2HE2 GLN 13 23.803 -3.994 -4.927 90 HA PRO 14 HA PRO 14 21.740 3.330 -1.208 91 1HB PRO 14 2HB PRO 14 24.247 4.851 -1.340 92 2HB PRO 14 1HB PRO 14 23.114 4.674 0.001 93 1HG PRO 14 2HG PRO 14 25.543 3.528 0.049 94 2HG PRO 14 1HG PRO 14 24.125 2.748 0.778 95 1HD PRO 14 2HD PRO 14 25.422 2.213 -1.875 96 2HD PRO 14 1HD PRO 14 24.834 1.059 -0.658 97 H GLY 15 H GLY 15 22.378 2.306 -3.951 98 1HA GLY 15 2HA GLY 15 21.536 4.586 -5.410 99 2HA GLY 15 1HA GLY 15 23.244 4.279 -5.695 100 H GLY 16 H GLY 16 20.897 1.738 -5.082 101 1HA GLY 16 2HA GLY 16 21.313 0.818 -7.857 102 2HA GLY 16 1HA GLY 16 21.053 -0.250 -6.486 103 H SER 17 H SER 17 19.199 -1.270 -6.918 104 HA SER 17 HA SER 17 16.756 0.259 -6.944 105 1HB SER 17 2HB SER 17 17.593 0.085 -9.381 106 2HB SER 17 1HB SER 17 17.162 -1.621 -9.262 107 HG SER 17 HG SER 17 15.063 -1.094 -9.053 108 H LEU 18 H LEU 18 14.948 -0.962 -6.363 109 HA LEU 18 HA LEU 18 15.327 -3.829 -5.946 110 1HB LEU 18 2HB LEU 18 15.955 -2.406 -3.879 111 2HB LEU 18 1HB LEU 18 14.231 -2.140 -3.720 112 HG LEU 18 HG LEU 18 13.809 -4.423 -3.265 113 1HD1 LEU 18 1HD1 LEU 18 14.925 -5.957 -4.431 114 2HD1 LEU 18 2HD1 LEU 18 16.227 -5.775 -3.256 115 3HD1 LEU 18 3HD1 LEU 18 16.256 -4.846 -4.755 116 1HD2 LEU 18 1HD2 LEU 18 15.804 -2.981 -1.779 117 2HD2 LEU 18 2HD2 LEU 18 16.064 -4.720 -1.643 118 3HD2 LEU 18 3HD2 LEU 18 14.506 -4.023 -1.197 119 H ARG 19 H ARG 19 13.406 -5.025 -5.790 120 HA ARG 19 HA ARG 19 10.930 -3.544 -6.373 121 1HB ARG 19 2HB ARG 19 11.825 -4.512 -8.453 122 2HB ARG 19 1HB ARG 19 11.836 -6.103 -7.705 123 1HG ARG 19 2HG ARG 19 9.460 -6.165 -7.607 124 2HG ARG 19 1HG ARG 19 9.339 -4.465 -8.070 125 1HD ARG 19 2HD ARG 19 10.774 -6.299 -9.910 126 2HD ARG 19 1HD ARG 19 9.020 -6.443 -9.818 127 HE ARG 19 HE ARG 19 10.515 -4.075 -10.703 128 1HH1 ARG 19 1HH1 ARG 19 7.517 -5.815 -10.361 129 2HH1 ARG 19 2HH1 ARG 19 6.635 -4.758 -11.411 130 1HH2 ARG 19 1HH2 ARG 19 9.366 -2.681 -12.092 131 2HH2 ARG 19 2HH2 ARG 19 7.686 -2.975 -12.398 132 H VAL 20 H VAL 20 9.710 -3.833 -4.617 133 HA VAL 20 HA VAL 20 9.677 -6.489 -3.353 134 HB VAL 20 HB VAL 20 8.766 -5.422 -1.378 135 1HG1 VAL 20 1HG1 VAL 20 10.697 -4.341 -0.653 136 2HG1 VAL 20 2HG1 VAL 20 11.042 -3.690 -2.255 137 3HG1 VAL 20 3HG1 VAL 20 11.256 -5.412 -1.938 138 1HG2 VAL 20 1HG2 VAL 20 7.585 -3.614 -2.857 139 2HG2 VAL 20 2HG2 VAL 20 9.075 -2.709 -2.590 140 3HG2 VAL 20 3HG2 VAL 20 8.094 -3.216 -1.216 141 H SER 21 H SER 21 7.733 -7.544 -2.885 142 HA SER 21 HA SER 21 5.336 -6.476 -4.223 143 1HB SER 21 2HB SER 21 4.859 -8.527 -5.255 144 2HB SER 21 1HB SER 21 6.603 -8.362 -5.459 145 HG SER 21 HG SER 21 6.217 -10.411 -4.706 146 H CYS 22 H CYS 22 3.302 -7.616 -3.519 147 HA CYS 22 HA CYS 22 3.397 -8.757 -0.841 148 1HB CYS 22 2HB CYS 22 3.188 -6.506 -0.179 149 2HB CYS 22 1HB CYS 22 2.110 -6.124 -1.515 150 H ALA 23 H ALA 23 2.381 -10.629 -1.281 151 HA ALA 23 HA ALA 23 0.097 -10.682 -3.059 152 1HB ALA 23 1HB ALA 23 1.487 -12.538 -3.346 153 2HB ALA 23 2HB ALA 23 0.119 -13.161 -2.424 154 3HB ALA 23 3HB ALA 23 1.642 -12.804 -1.609 155 H ALA 24 H ALA 24 -1.659 -9.755 -2.152 156 HA ALA 24 HA ALA 24 -2.362 -10.263 0.611 157 1HB ALA 24 1HB ALA 24 -4.049 -8.626 0.341 158 2HB ALA 24 2HB ALA 24 -3.993 -8.753 -1.417 159 3HB ALA 24 3HB ALA 24 -2.639 -8.035 -0.540 160 H SER 25 H SER 25 -4.847 -10.646 0.956 161 HA SER 25 HA SER 25 -6.131 -12.394 -0.916 162 1HB SER 25 2HB SER 25 -4.518 -13.519 1.284 163 2HB SER 25 1HB SER 25 -6.152 -14.170 1.153 164 HG SER 25 HG SER 25 -4.310 -15.134 -0.147 165 H GLY 26 H GLY 26 -8.038 -11.359 -0.756 166 1HA GLY 26 2HA GLY 26 -9.893 -11.862 1.178 167 2HA GLY 26 1HA GLY 26 -9.072 -10.421 1.759 168 H PHE 27 H PHE 27 -8.584 -9.243 -0.787 169 HA PHE 27 HA PHE 27 -11.260 -8.816 -1.887 170 1HB PHE 27 2HB PHE 27 -11.130 -6.430 -1.691 171 2HB PHE 27 1HB PHE 27 -10.812 -7.109 -0.100 172 HD1 PHE 27 1HD PHE 27 -8.668 -6.891 0.944 173 HD2 PHE 27 2HD PHE 27 -9.345 -5.379 -2.977 174 HE1 PHE 27 1HE PHE 27 -6.579 -5.599 1.084 175 HE2 PHE 27 2HE PHE 27 -7.256 -4.090 -2.845 176 HZ PHE 27 HZ PHE 27 -5.870 -4.201 -0.817 177 H THR 28 H THR 28 -10.853 -6.932 -3.728 178 HA THR 28 HA THR 28 -9.055 -8.255 -5.573 179 HB THR 28 HB THR 28 -10.741 -5.821 -6.146 180 HG1 THR 28 1HG THR 28 -12.347 -7.283 -6.794 181 1HG2 THR 28 1HG2 THR 28 -10.141 -6.078 -8.297 182 2HG2 THR 28 2HG2 THR 28 -10.281 -7.835 -8.222 183 3HG2 THR 28 3HG2 THR 28 -8.808 -7.041 -7.657 184 H PHE 29 H PHE 29 -9.399 -4.907 -6.186 185 HA PHE 29 HA PHE 29 -7.166 -3.894 -4.793 186 1HB PHE 29 2HB PHE 29 -6.585 -5.393 -7.202 187 2HB PHE 29 1HB PHE 29 -6.077 -3.719 -7.369 188 HD1 PHE 29 1HD PHE 29 -3.879 -5.140 -7.624 189 HD2 PHE 29 2HD PHE 29 -5.960 -4.540 -3.963 190 HE1 PHE 29 1HE PHE 29 -1.826 -5.652 -6.372 191 HE2 PHE 29 2HE PHE 29 -3.913 -5.053 -2.709 192 HZ PHE 29 HZ PHE 29 -1.839 -5.607 -3.912 193 H SER 30 H SER 30 -8.433 -3.602 -8.118 194 HA SER 30 HA SER 30 -8.279 -0.799 -8.203 195 1HB SER 30 2HB SER 30 -8.425 -2.194 -10.223 196 2HB SER 30 1HB SER 30 -10.077 -2.641 -9.798 197 HG SER 30 HG SER 30 -9.635 -0.779 -11.332 198 H SER 31 H SER 31 -10.374 -2.759 -6.462 199 HA SER 31 HA SER 31 -12.539 -0.789 -6.471 200 1HB SER 31 2HB SER 31 -12.385 -3.652 -6.045 201 2HB SER 31 1HB SER 31 -13.217 -2.857 -4.707 202 HG SER 31 HG SER 31 -14.771 -3.221 -6.197 203 H TYR 32 H TYR 32 -9.821 -1.754 -4.659 204 HA TYR 32 HA TYR 32 -10.770 -0.220 -2.328 205 1HB TYR 32 2HB TYR 32 -8.990 -2.633 -2.532 206 2HB TYR 32 1HB TYR 32 -8.887 -1.563 -1.139 207 HD1 TYR 32 1HD TYR 32 -10.226 -2.008 0.695 208 HD2 TYR 32 2HD TYR 32 -11.413 -3.476 -3.116 209 HE1 TYR 32 1HE TYR 32 -12.096 -3.210 1.748 210 HE2 TYR 32 2HE TYR 32 -13.288 -4.679 -2.078 211 HH TYR 32 HH TYR 32 -14.267 -5.267 -0.164 212 H HIS 33 H HIS 33 -8.898 0.717 -1.042 213 HA HIS 33 HA HIS 33 -6.961 1.932 -2.903 214 1HB HIS 33 2HB HIS 33 -8.422 2.993 -0.511 215 2HB HIS 33 1HB HIS 33 -6.841 3.656 -0.909 216 HD1 HIS 33 1HD HIS 33 -10.312 3.302 -2.350 217 HD2 HIS 33 2HD HIS 33 -6.821 5.464 -2.977 218 HE1 HIS 33 1HE HIS 33 -10.905 5.054 -4.052 219 HE2 HIS 33 2HE HIS 33 -8.800 6.408 -4.348 220 H MET 34 H MET 34 -5.271 0.492 -2.705 221 HA MET 34 HA MET 34 -4.428 -0.362 -0.069 222 1HB MET 34 2HB MET 34 -3.947 -1.225 -2.822 223 2HB MET 34 1HB MET 34 -2.521 -1.310 -1.794 224 1HG MET 34 2HG MET 34 -5.063 -2.388 -0.722 225 2HG MET 34 1HG MET 34 -4.246 -3.303 -1.990 226 1HE MET 34 1HE MET 34 -2.458 -4.666 -1.820 227 2HE MET 34 2HE MET 34 -3.310 -5.551 -0.554 228 3HE MET 34 3HE MET 34 -1.600 -5.162 -0.362 229 H ALA 35 H ALA 35 -2.077 -0.335 0.460 230 HA ALA 35 HA ALA 35 -0.515 1.835 -0.617 231 1HB ALA 35 1HB ALA 35 -0.889 3.419 0.906 232 2HB ALA 35 2HB ALA 35 -0.826 2.267 2.241 233 3HB ALA 35 3HB ALA 35 -2.327 2.496 1.341 234 H TRP 36 H TRP 36 1.619 1.949 0.248 235 HA TRP 36 HA TRP 36 2.463 -0.534 1.558 236 1HB TRP 36 2HB TRP 36 3.770 1.275 -0.429 237 2HB TRP 36 1HB TRP 36 4.786 0.340 0.670 238 HD1 TRP 36 HD TRP 36 2.107 -0.187 -2.055 239 HE1 TRP 36 1HE TRP 36 2.404 -2.545 -3.045 240 HE3 TRP 36 3HE TRP 36 5.794 -1.903 1.043 241 HZ2 TRP 36 2HZ TRP 36 4.011 -4.822 -2.584 242 HZ3 TRP 36 3HZ TRP 36 6.658 -4.180 0.700 243 HH2 TRP 36 HH TRP 36 5.782 -5.610 -1.076 244 H VAL 37 H VAL 37 3.908 -0.485 3.255 245 HA VAL 37 HA VAL 37 4.152 2.082 4.678 246 HB VAL 37 HB VAL 37 4.042 -0.482 6.208 247 1HG1 VAL 37 1HG1 VAL 37 4.430 1.621 7.339 248 2HG1 VAL 37 2HG1 VAL 37 2.920 0.854 7.831 249 3HG1 VAL 37 3HG1 VAL 37 2.890 2.230 6.724 250 1HG2 VAL 37 1HG2 VAL 37 2.209 -0.797 4.674 251 2HG2 VAL 37 2HG2 VAL 37 1.631 0.845 4.973 252 3HG2 VAL 37 3HG2 VAL 37 1.568 -0.363 6.259 253 H ARG 38 H ARG 38 5.915 2.074 6.349 254 HA ARG 38 HA ARG 38 8.074 0.195 6.014 255 1HB ARG 38 2HB ARG 38 8.528 1.613 4.109 256 2HB ARG 38 1HB ARG 38 8.393 3.057 5.104 257 1HG ARG 38 2HG ARG 38 10.338 1.866 6.448 258 2HG ARG 38 1HG ARG 38 10.612 1.105 4.879 259 1HD ARG 38 2HD ARG 38 11.927 3.188 5.247 260 2HD ARG 38 1HD ARG 38 10.889 3.233 3.823 261 HE ARG 38 HE ARG 38 9.703 4.355 6.200 262 1HH1 ARG 38 1HH1 ARG 38 11.629 4.971 3.362 263 2HH1 ARG 38 2HH1 ARG 38 11.289 6.669 3.343 264 1HH2 ARG 38 1HH2 ARG 38 9.253 6.588 6.184 265 2HH2 ARG 38 2HH2 ARG 38 9.940 7.588 4.949 266 H GLN 39 H GLN 39 9.365 0.106 7.786 267 HA GLN 39 HA GLN 39 9.054 2.216 9.814 268 1HB GLN 39 2HB GLN 39 7.785 0.461 10.711 269 2HB GLN 39 1HB GLN 39 8.902 -0.768 10.133 270 1HG GLN 39 2HG GLN 39 10.571 0.102 11.778 271 2HG GLN 39 1HG GLN 39 9.301 1.140 12.425 272 1HE2 GLN 39 1HE2 GLN 39 8.336 0.362 14.143 273 2HE2 GLN 39 2HE2 GLN 39 8.108 -1.307 14.524 274 H ALA 40 H ALA 40 10.929 3.194 10.099 275 HA ALA 40 HA ALA 40 13.431 1.965 9.401 276 1HB ALA 40 1HB ALA 40 14.242 4.062 9.409 277 2HB ALA 40 2HB ALA 40 13.534 4.433 10.981 278 3HB ALA 40 3HB ALA 40 12.550 4.546 9.522 279 HA PRO 41 HA PRO 41 14.922 0.205 13.164 280 1HB PRO 41 2HB PRO 41 17.097 1.891 13.762 281 2HB PRO 41 1HB PRO 41 17.150 0.400 12.819 282 1HG PRO 41 2HG PRO 41 17.012 3.227 11.894 283 2HG PRO 41 1HG PRO 41 17.838 1.840 11.161 284 1HD PRO 41 2HD PRO 41 15.561 2.783 10.135 285 2HD PRO 41 1HD PRO 41 15.886 1.036 10.184 286 H GLY 42 H GLY 42 14.175 3.576 13.026 287 1HA GLY 42 2HA GLY 42 13.483 3.499 15.884 288 2HA GLY 42 1HA GLY 42 14.435 4.841 15.265 289 H LYS 43 H LYS 43 11.376 3.117 14.671 290 HA LYS 43 HA LYS 43 9.855 5.524 14.752 291 1HB LYS 43 2HB LYS 43 11.018 4.892 12.253 292 2HB LYS 43 1HB LYS 43 9.308 4.504 12.121 293 1HG LYS 43 2HG LYS 43 8.681 6.659 12.183 294 2HG LYS 43 1HG LYS 43 9.901 7.090 13.383 295 1HD LYS 43 2HD LYS 43 11.469 7.590 11.808 296 2HD LYS 43 1HD LYS 43 10.857 6.395 10.662 297 1HE LYS 43 2HE LYS 43 9.166 7.812 9.906 298 2HE LYS 43 1HE LYS 43 9.264 8.843 11.331 299 1HZ LYS 43 1HZ LYS 43 11.389 8.629 9.268 300 2HZ LYS 43 2HZ LYS 43 11.352 9.703 10.573 301 3HZ LYS 43 3HZ LYS 43 10.227 9.858 9.322 302 H GLY 44 H GLY 44 7.524 5.100 14.145 303 1HA GLY 44 2HA GLY 44 6.847 2.330 14.907 304 2HA GLY 44 1HA GLY 44 5.856 3.736 15.265 305 H LEU 45 H LEU 45 7.395 2.536 12.301 306 HA LEU 45 HA LEU 45 6.595 2.015 10.252 307 1HB LEU 45 2HB LEU 45 4.817 0.823 11.927 308 2HB LEU 45 1HB LEU 45 3.754 1.885 11.029 309 HG LEU 45 HG LEU 45 3.860 0.611 9.145 310 1HD1 LEU 45 1HD1 LEU 45 5.729 -0.047 8.070 311 2HD1 LEU 45 2HD1 LEU 45 6.566 -0.509 9.550 312 3HD1 LEU 45 3HD1 LEU 45 6.425 1.192 9.109 313 1HD2 LEU 45 1HD2 LEU 45 3.887 -0.926 11.432 314 2HD2 LEU 45 2HD2 LEU 45 5.093 -1.694 10.401 315 3HD2 LEU 45 3HD2 LEU 45 3.445 -1.467 9.812 316 H GLU 46 H GLU 46 5.645 2.959 8.454 317 HA GLU 46 HA GLU 46 3.987 5.309 8.769 318 1HB GLU 46 2HB GLU 46 5.691 6.772 8.715 319 2HB GLU 46 1HB GLU 46 6.856 5.502 8.360 320 1HG GLU 46 2HG GLU 46 6.755 5.843 6.105 321 2HG GLU 46 1HG GLU 46 5.091 6.429 6.156 322 H TRP 47 H TRP 47 2.676 5.574 7.059 323 HA TRP 47 HA TRP 47 2.720 3.613 4.975 324 1HB TRP 47 2HB TRP 47 0.536 4.233 5.310 325 2HB TRP 47 1HB TRP 47 0.962 5.883 5.758 326 HD1 TRP 47 HD TRP 47 0.630 3.694 2.590 327 HE1 TRP 47 1HE TRP 47 0.052 5.242 0.618 328 HE3 TRP 47 3HE TRP 47 0.908 8.198 4.979 329 HZ2 TRP 47 2HZ TRP 47 -0.243 8.012 0.137 330 HZ3 TRP 47 3HZ TRP 47 0.476 10.252 3.693 331 HH2 TRP 47 HH TRP 47 -0.088 10.158 1.321 332 H VAL 48 H VAL 48 4.207 3.724 3.395 333 HA VAL 48 HA VAL 48 5.501 6.202 2.748 334 HB VAL 48 HB VAL 48 6.492 4.689 0.852 335 1HG1 VAL 48 1HG1 VAL 48 7.445 5.557 3.152 336 2HG1 VAL 48 2HG1 VAL 48 8.315 4.353 2.201 337 3HG1 VAL 48 3HG1 VAL 48 7.332 3.849 3.578 338 1HG2 VAL 48 1HG2 VAL 48 6.168 2.426 2.655 339 2HG2 VAL 48 2HG2 VAL 48 6.131 2.497 0.892 340 3HG2 VAL 48 3HG2 VAL 48 4.691 2.903 1.823 341 H SER 49 H SER 49 3.624 3.881 0.784 342 HA SER 49 HA SER 49 2.857 6.182 -0.909 343 1HB SER 49 2HB SER 49 3.267 3.522 -2.187 344 2HB SER 49 1HB SER 49 3.455 5.139 -2.865 345 HG SER 49 HG SER 49 5.269 3.563 -1.523 346 H THR 50 H THR 50 0.947 6.022 -2.119 347 HA THR 50 HA THR 50 -0.918 3.865 -1.449 348 HB THR 50 HB THR 50 -1.286 6.752 -0.789 349 HG1 THR 50 1HG THR 50 -2.674 4.603 0.374 350 1HG2 THR 50 1HG2 THR 50 -3.549 4.980 -1.721 351 2HG2 THR 50 2HG2 THR 50 -2.988 6.460 -2.501 352 3HG2 THR 50 3HG2 THR 50 -3.741 6.535 -0.908 353 H ILE 51 H ILE 51 -2.340 3.375 -3.121 354 HA ILE 51 HA ILE 51 -1.959 4.966 -5.573 355 HB ILE 51 HB ILE 51 -0.939 2.755 -5.754 356 1HG1 ILE 51 2HG1 ILE 51 -3.079 2.173 -7.580 357 2HG1 ILE 51 1HG1 ILE 51 -2.818 3.914 -7.523 358 1HG2 ILE 51 1HG2 ILE 51 -2.012 0.759 -5.386 359 2HG2 ILE 51 2HG2 ILE 51 -3.612 1.439 -5.680 360 3HG2 ILE 51 3HG2 ILE 51 -2.776 1.774 -4.163 361 1HD1 ILE 51 1HD1 ILE 51 -0.934 1.754 -8.358 362 2HD1 ILE 51 2HD1 ILE 51 -0.332 3.326 -7.830 363 3HD1 ILE 51 3HD1 ILE 51 -1.414 3.217 -9.219 364 H ASN 52 H ASN 52 -3.697 5.538 -6.780 365 HA ASN 52 HA ASN 52 -6.339 4.960 -5.621 366 1HB ASN 52 2HB ASN 52 -5.935 7.302 -5.506 367 2HB ASN 52 1HB ASN 52 -5.295 7.348 -7.145 368 1HD2 ASN 52 1HD2 ASN 52 -8.088 7.473 -5.173 369 2HD2 ASN 52 2HD2 ASN 52 -9.242 7.727 -6.431 370 HA PRO 53 HA PRO 53 -7.095 2.785 -9.439 371 1HB PRO 53 2HB PRO 53 -9.625 2.031 -8.951 372 2HB PRO 53 1HB PRO 53 -8.256 1.313 -8.092 373 1HG PRO 53 2HG PRO 53 -10.155 3.441 -7.187 374 2HG PRO 53 1HG PRO 53 -9.516 2.055 -6.286 375 1HD PRO 53 2HD PRO 53 -8.533 4.604 -6.067 376 2HD PRO 53 1HD PRO 53 -7.574 3.144 -5.752 377 H GLY 54 H GLY 54 -8.250 3.044 -11.370 378 1HA GLY 54 2HA GLY 54 -9.783 4.036 -12.834 379 2HA GLY 54 1HA GLY 54 -10.262 5.138 -11.553 380 H ASP 55 H ASP 55 -9.152 7.066 -11.265 381 HA ASP 55 HA ASP 55 -8.138 8.307 -13.541 382 1HB ASP 55 2HB ASP 55 -8.575 9.003 -10.775 383 2HB ASP 55 1HB ASP 55 -7.054 9.686 -11.343 384 H GLY 56 H GLY 56 -6.414 6.868 -10.793 385 1HA GLY 56 2HA GLY 56 -4.344 5.694 -11.151 386 2HA GLY 56 1HA GLY 56 -4.000 6.794 -12.478 387 H SER 57 H SER 57 -5.305 8.543 -9.980 388 HA SER 57 HA SER 57 -3.022 10.046 -9.474 389 1HB SER 57 2HB SER 57 -5.732 9.926 -8.477 390 2HB SER 57 1HB SER 57 -4.605 10.240 -7.158 391 HG SER 57 HG SER 57 -4.899 12.217 -7.924 392 H THR 58 H THR 58 -1.787 10.259 -7.476 393 HA THR 58 HA THR 58 -1.659 7.854 -5.822 394 HB THR 58 HB THR 58 1.012 8.367 -6.180 395 HG1 THR 58 1HG THR 58 1.231 8.384 -8.509 396 1HG2 THR 58 1HG2 THR 58 -0.701 6.383 -7.678 397 2HG2 THR 58 2HG2 THR 58 -0.033 6.162 -6.061 398 3HG2 THR 58 3HG2 THR 58 1.045 6.272 -7.452 399 H TYR 59 H TYR 59 -0.932 8.182 -3.771 400 HA TYR 59 HA TYR 59 -0.066 10.906 -3.066 401 1HB TYR 59 2HB TYR 59 -1.749 9.261 -1.200 402 2HB TYR 59 1HB TYR 59 -1.501 11.003 -1.221 403 HD1 TYR 59 1HD TYR 59 -2.757 12.419 -2.762 404 HD2 TYR 59 2HD TYR 59 -3.383 8.214 -2.645 405 HE1 TYR 59 1HE TYR 59 -4.847 12.702 -4.028 406 HE2 TYR 59 2HE TYR 59 -5.474 8.484 -3.911 407 HH TYR 59 HH TYR 59 -6.792 9.904 -5.015 408 H TYR 60 H TYR 60 1.628 11.044 -1.678 409 HA TYR 60 HA TYR 60 2.626 8.534 -0.500 410 1HB TYR 60 2HB TYR 60 4.147 10.680 -1.976 411 2HB TYR 60 1HB TYR 60 4.946 9.552 -0.887 412 HD1 TYR 60 1HD TYR 60 2.507 9.425 -3.727 413 HD2 TYR 60 2HD TYR 60 5.931 7.718 -1.866 414 HE1 TYR 60 1HE TYR 60 2.692 7.803 -5.565 415 HE2 TYR 60 2HE TYR 60 6.122 6.092 -3.699 416 HH TYR 60 HH TYR 60 3.658 5.796 -6.158 417 H ALA 61 H ALA 61 4.384 9.052 1.194 418 HA ALA 61 HA ALA 61 3.192 10.748 3.172 419 1HB ALA 61 1HB ALA 61 4.268 9.384 4.557 420 2HB ALA 61 2HB ALA 61 5.823 9.929 3.929 421 3HB ALA 61 3HB ALA 61 4.991 8.574 3.167 422 H ASP 62 H ASP 62 4.515 11.802 0.598 423 HA ASP 62 HA ASP 62 5.397 13.806 -0.006 424 1HB ASP 62 2HB ASP 62 4.929 14.185 2.819 425 2HB ASP 62 1HB ASP 62 6.397 15.015 2.313 426 H SER 63 H SER 63 7.251 12.343 2.672 427 HA SER 63 HA SER 63 9.749 13.122 1.442 428 1HB SER 63 2HB SER 63 8.947 11.815 4.000 429 2HB SER 63 1HB SER 63 10.589 11.549 3.414 430 HG SER 63 HG SER 63 9.443 14.127 3.651 431 H VAL 64 H VAL 64 7.732 11.018 0.343 432 HA VAL 64 HA VAL 64 9.822 9.122 -0.441 433 HB VAL 64 HB VAL 64 7.979 7.308 -0.343 434 1HG1 VAL 64 1HG1 VAL 64 10.088 7.762 1.178 435 2HG1 VAL 64 2HG1 VAL 64 8.910 6.513 1.585 436 3HG1 VAL 64 3HG1 VAL 64 8.849 8.079 2.392 437 1HG2 VAL 64 1HG2 VAL 64 6.220 9.040 0.241 438 2HG2 VAL 64 2HG2 VAL 64 6.928 9.065 1.855 439 3HG2 VAL 64 3HG2 VAL 64 6.239 7.572 1.217 440 H LYS 65 H LYS 65 7.583 11.297 -1.401 441 HA LYS 65 HA LYS 65 6.127 10.135 -3.450 442 1HB LYS 65 2HB LYS 65 6.019 12.537 -2.598 443 2HB LYS 65 1HB LYS 65 7.370 12.872 -3.672 444 1HG LYS 65 2HG LYS 65 5.462 13.510 -4.867 445 2HG LYS 65 1HG LYS 65 5.922 11.946 -5.542 446 1HD LYS 65 2HD LYS 65 3.811 11.310 -5.174 447 2HD LYS 65 1HD LYS 65 4.224 11.292 -3.458 448 1HE LYS 65 2HE LYS 65 2.313 12.626 -3.562 449 2HE LYS 65 1HE LYS 65 3.640 13.785 -3.484 450 1HZ LYS 65 1HZ LYS 65 1.673 13.496 -5.478 451 2HZ LYS 65 2HZ LYS 65 3.192 13.228 -6.171 452 3HZ LYS 65 3HZ LYS 65 2.881 14.674 -5.349 453 H GLY 66 H GLY 66 9.350 11.639 -3.666 454 1HA GLY 66 2HA GLY 66 9.702 10.391 -6.304 455 2HA GLY 66 1HA GLY 66 10.690 11.685 -5.640 456 H ARG 67 H ARG 67 9.812 8.934 -3.723 457 HA ARG 67 HA ARG 67 12.616 8.034 -3.769 458 1HB ARG 67 2HB ARG 67 11.034 8.801 -1.629 459 2HB ARG 67 1HB ARG 67 10.966 7.043 -1.573 460 1HG ARG 67 2HG ARG 67 12.915 7.059 -0.533 461 2HG ARG 67 1HG ARG 67 13.657 7.702 -2.002 462 1HD ARG 67 2HD ARG 67 14.006 9.663 -1.023 463 2HD ARG 67 1HD ARG 67 12.296 9.797 -0.613 464 HE ARG 67 HE ARG 67 13.573 8.052 1.193 465 1HH1 ARG 67 1HH1 ARG 67 13.384 11.433 0.368 466 2HH1 ARG 67 2HH1 ARG 67 13.741 11.976 1.974 467 1HH2 ARG 67 1HH2 ARG 67 14.043 8.759 3.306 468 2HH2 ARG 67 2HH2 ARG 67 14.116 10.455 3.644 469 H PHE 68 H PHE 68 9.350 6.770 -3.192 470 HA PHE 68 HA PHE 68 10.180 4.240 -4.449 471 1HB PHE 68 2HB PHE 68 8.108 4.749 -2.310 472 2HB PHE 68 1HB PHE 68 8.420 3.182 -3.053 473 HD1 PHE 68 1HD PHE 68 9.413 5.545 -0.542 474 HD2 PHE 68 2HD PHE 68 10.658 2.117 -2.731 475 HE1 PHE 68 1HE PHE 68 11.155 5.107 1.140 476 HE2 PHE 68 2HE PHE 68 12.399 1.674 -1.054 477 HZ PHE 68 HZ PHE 68 12.646 3.167 0.880 478 H THR 69 H THR 69 8.382 3.005 -5.435 479 HA THR 69 HA THR 69 6.346 4.767 -6.628 480 HB THR 69 HB THR 69 8.068 2.712 -8.020 481 HG1 THR 69 1HG THR 69 8.959 4.464 -8.783 482 1HG2 THR 69 1HG2 THR 69 6.643 2.632 -9.862 483 2HG2 THR 69 2HG2 THR 69 5.760 4.075 -9.367 484 3HG2 THR 69 3HG2 THR 69 5.518 2.556 -8.506 485 H ILE 70 H ILE 70 4.352 4.072 -6.346 486 HA ILE 70 HA ILE 70 3.956 1.317 -5.433 487 HB ILE 70 HB ILE 70 3.178 3.409 -4.094 488 1HG1 ILE 70 2HG1 ILE 70 1.577 0.915 -4.604 489 2HG1 ILE 70 1HG1 ILE 70 2.641 1.286 -3.253 490 1HG2 ILE 70 1HG2 ILE 70 0.772 3.134 -5.876 491 2HG2 ILE 70 2HG2 ILE 70 2.000 4.380 -6.100 492 3HG2 ILE 70 3HG2 ILE 70 1.062 4.325 -4.607 493 1HD1 ILE 70 1HD1 ILE 70 0.499 1.413 -2.366 494 2HD1 ILE 70 2HD1 ILE 70 -0.132 2.276 -3.769 495 3HD1 ILE 70 3HD1 ILE 70 0.958 3.093 -2.647 496 H SER 71 H SER 71 2.841 -0.107 -6.603 497 HA SER 71 HA SER 71 0.971 0.725 -8.645 498 1HB SER 71 2HB SER 71 2.383 -0.941 -10.226 499 2HB SER 71 1HB SER 71 2.629 0.806 -10.210 500 HG SER 71 HG SER 71 4.622 -0.007 -9.914 501 H ARG 72 H ARG 72 -0.011 -1.204 -9.740 502 HA ARG 72 HA ARG 72 0.268 -3.764 -8.458 503 1HB ARG 72 2HB ARG 72 -2.143 -3.800 -7.699 504 2HB ARG 72 1HB ARG 72 -1.057 -2.803 -6.741 505 1HG ARG 72 2HG ARG 72 -1.859 -0.818 -7.991 506 2HG ARG 72 1HG ARG 72 -3.030 -1.856 -8.807 507 1HD ARG 72 2HD ARG 72 -3.852 -2.506 -6.502 508 2HD ARG 72 1HD ARG 72 -2.866 -1.183 -5.879 509 HE ARG 72 HE ARG 72 -4.516 -0.221 -7.942 510 1HH1 ARG 72 1HH1 ARG 72 -4.714 -1.379 -4.659 511 2HH1 ARG 72 2HH1 ARG 72 -6.128 -0.452 -4.282 512 1HH2 ARG 72 1HH2 ARG 72 -6.378 1.000 -7.453 513 2HH2 ARG 72 2HH2 ARG 72 -7.074 0.899 -5.871 514 H ASP 73 H ASP 73 -1.042 -5.412 -9.444 515 HA ASP 73 HA ASP 73 -1.809 -4.704 -12.184 516 1HB ASP 73 2HB ASP 73 -0.113 -6.487 -11.881 517 2HB ASP 73 1HB ASP 73 -1.294 -7.433 -10.983 518 H ASN 74 H ASN 74 -3.867 -4.724 -12.813 519 HA ASN 74 HA ASN 74 -5.986 -5.025 -11.010 520 1HB ASN 74 2HB ASN 74 -5.979 -5.075 -14.034 521 2HB ASN 74 1HB ASN 74 -7.439 -4.997 -13.053 522 1HD2 ASN 74 1HD2 ASN 74 -6.344 -3.110 -15.006 523 2HD2 ASN 74 2HD2 ASN 74 -6.175 -1.609 -14.168 524 H ALA 75 H ALA 75 -7.631 -6.600 -10.864 525 HA ALA 75 HA ALA 75 -8.418 -8.716 -10.612 526 1HB ALA 75 1HB ALA 75 -8.463 -8.438 -13.144 527 2HB ALA 75 2HB ALA 75 -8.511 -10.085 -12.517 528 3HB ALA 75 3HB ALA 75 -7.006 -9.432 -13.165 529 H LYS 76 H LYS 76 -5.567 -7.964 -9.804 530 HA LYS 76 HA LYS 76 -4.748 -10.699 -9.148 531 1HB LYS 76 2HB LYS 76 -3.439 -9.411 -11.105 532 2HB LYS 76 1HB LYS 76 -2.568 -8.764 -9.721 533 1HG LYS 76 2HG LYS 76 -2.231 -11.164 -8.985 534 2HG LYS 76 1HG LYS 76 -2.818 -11.629 -10.583 535 1HD LYS 76 2HD LYS 76 -1.026 -10.075 -11.513 536 2HD LYS 76 1HD LYS 76 -0.355 -10.054 -9.882 537 1HE LYS 76 2HE LYS 76 0.801 -11.857 -10.539 538 2HE LYS 76 1HE LYS 76 -0.716 -12.725 -10.310 539 1HZ LYS 76 1HZ LYS 76 -0.332 -11.426 -12.889 540 2HZ LYS 76 2HZ LYS 76 -1.048 -12.914 -12.522 541 3HZ LYS 76 3HZ LYS 76 0.637 -12.778 -12.575 542 H ASN 77 H ASN 77 -4.657 -10.872 -7.019 543 HA ASN 77 HA ASN 77 -4.576 -8.555 -5.320 544 1HB ASN 77 2HB ASN 77 -5.621 -11.078 -5.064 545 2HB ASN 77 1HB ASN 77 -4.187 -11.180 -4.051 546 1HD2 ASN 77 1HD2 ASN 77 -4.838 -8.045 -3.901 547 2HD2 ASN 77 2HD2 ASN 77 -5.913 -7.999 -2.551 548 H THR 78 H THR 78 -2.392 -7.912 -6.246 549 HA THR 78 HA THR 78 -0.372 -8.697 -4.333 550 HB THR 78 HB THR 78 0.467 -8.964 -7.195 551 HG1 THR 78 1HG THR 78 -0.158 -11.278 -5.756 552 1HG2 THR 78 1HG2 THR 78 1.471 -10.169 -4.614 553 2HG2 THR 78 2HG2 THR 78 2.188 -8.797 -5.459 554 3HG2 THR 78 3HG2 THR 78 2.194 -10.395 -6.206 555 H LEU 79 H LEU 79 0.514 -6.896 -3.679 556 HA LEU 79 HA LEU 79 0.450 -4.487 -5.282 557 1HB LEU 79 2HB LEU 79 0.555 -5.133 -2.492 558 2HB LEU 79 1HB LEU 79 1.906 -4.086 -2.879 559 HG LEU 79 HG LEU 79 -1.000 -3.477 -3.379 560 1HD1 LEU 79 1HD1 LEU 79 0.318 -1.607 -1.692 561 2HD1 LEU 79 2HD1 LEU 79 0.554 -3.233 -1.052 562 3HD1 LEU 79 3HD1 LEU 79 -1.076 -2.628 -1.342 563 1HD2 LEU 79 1HD2 LEU 79 -0.442 -1.719 -4.620 564 2HD2 LEU 79 2HD2 LEU 79 1.129 -2.501 -4.794 565 3HD2 LEU 79 3HD2 LEU 79 0.886 -1.279 -3.547 566 H TYR 80 H TYR 80 2.235 -3.366 -6.031 567 HA TYR 80 HA TYR 80 4.854 -4.647 -5.689 568 1HB TYR 80 2HB TYR 80 3.640 -3.725 -8.298 569 2HB TYR 80 1HB TYR 80 5.336 -4.157 -8.094 570 HD1 TYR 80 1HD TYR 80 1.893 -5.478 -7.836 571 HD2 TYR 80 2HD TYR 80 6.026 -6.395 -8.200 572 HE1 TYR 80 1HE TYR 80 1.322 -7.824 -8.235 573 HE2 TYR 80 2HE TYR 80 5.476 -8.755 -8.611 574 HH TYR 80 HH TYR 80 3.073 -9.937 -9.621 575 H LEU 81 H LEU 81 6.441 -3.297 -5.216 576 HA LEU 81 HA LEU 81 6.039 -0.439 -5.755 577 1HB LEU 81 2HB LEU 81 5.682 -0.998 -3.347 578 2HB LEU 81 1HB LEU 81 7.335 -1.577 -3.283 579 HG LEU 81 HG LEU 81 7.004 1.177 -4.292 580 1HD1 LEU 81 1HD1 LEU 81 6.321 0.408 -1.475 581 2HD1 LEU 81 2HD1 LEU 81 5.395 1.406 -2.599 582 3HD1 LEU 81 3HD1 LEU 81 6.903 2.016 -1.912 583 1HD2 LEU 81 1HD2 LEU 81 9.199 0.717 -4.035 584 2HD2 LEU 81 2HD2 LEU 81 8.926 -0.423 -2.717 585 3HD2 LEU 81 3HD2 LEU 81 8.869 1.314 -2.409 586 H GLN 82 H GLN 82 7.739 0.636 -6.564 587 HA GLN 82 HA GLN 82 10.164 -0.931 -7.077 588 1HB GLN 82 2HB GLN 82 8.748 0.168 -8.963 589 2HB GLN 82 1HB GLN 82 9.489 1.669 -8.426 590 1HG GLN 82 2HG GLN 82 10.785 0.886 -10.228 591 2HG GLN 82 1HG GLN 82 11.720 0.568 -8.768 592 1HE2 GLN 82 1HE2 GLN 82 12.920 -1.051 -9.738 593 2HE2 GLN 82 2HE2 GLN 82 12.253 -2.599 -10.119 594 H MET 83 H MET 83 11.552 -0.594 -5.460 595 HA MET 83 HA MET 83 11.707 1.971 -4.140 596 1HB MET 83 2HB MET 83 13.829 0.024 -3.567 597 2HB MET 83 1HB MET 83 12.763 0.889 -2.471 598 1HG MET 83 2HG MET 83 10.982 -0.700 -2.919 599 2HG MET 83 1HG MET 83 12.023 -1.558 -4.056 600 1HE MET 83 1HE MET 83 11.116 -0.480 -0.758 601 2HE MET 83 2HE MET 83 12.480 -0.851 0.296 602 3HE MET 83 3HE MET 83 11.191 -2.035 0.072 603 H ASN 84 H ASN 84 12.578 3.526 -5.338 604 HA ASN 84 HA ASN 84 15.170 2.991 -6.640 605 1HB ASN 84 2HB ASN 84 14.192 5.454 -7.571 606 2HB ASN 84 1HB ASN 84 14.257 3.932 -8.452 607 1HD2 ASN 84 1HD2 ASN 84 12.411 2.640 -8.568 608 2HD2 ASN 84 2HD2 ASN 84 10.836 3.274 -8.243 609 H SER 85 H SER 85 16.710 4.814 -6.660 610 HA SER 85 HA SER 85 18.077 6.220 -5.501 611 1HB SER 85 2HB SER 85 15.416 7.400 -5.502 612 2HB SER 85 1HB SER 85 16.362 7.920 -4.107 613 HG SER 85 HG SER 85 18.037 8.483 -5.614 614 H LEU 86 H LEU 86 17.663 3.825 -4.215 615 HA LEU 86 HA LEU 86 16.800 3.994 -1.557 616 1HB LEU 86 2HB LEU 86 18.858 2.186 -2.816 617 2HB LEU 86 1HB LEU 86 18.212 1.970 -1.199 618 HG LEU 86 HG LEU 86 15.954 2.130 -2.819 619 1HD1 LEU 86 1HD1 LEU 86 16.549 1.551 -4.874 620 2HD1 LEU 86 2HD1 LEU 86 16.996 -0.029 -4.232 621 3HD1 LEU 86 3HD1 LEU 86 18.210 1.243 -4.372 622 1HD2 LEU 86 1HD2 LEU 86 15.471 0.113 -1.889 623 2HD2 LEU 86 2HD2 LEU 86 16.804 0.582 -0.833 624 3HD2 LEU 86 3HD2 LEU 86 17.088 -0.532 -2.171 625 H LYS 87 H LYS 87 17.683 4.718 0.249 626 HA LYS 87 HA LYS 87 20.526 5.461 0.266 627 1HB LYS 87 2HB LYS 87 19.935 7.515 1.521 628 2HB LYS 87 1HB LYS 87 19.274 7.507 -0.109 629 1HG LYS 87 2HG LYS 87 17.107 6.729 0.855 630 2HG LYS 87 1HG LYS 87 17.801 6.978 2.459 631 1HD LYS 87 2HD LYS 87 16.687 8.972 2.094 632 2HD LYS 87 1HD LYS 87 18.328 9.364 1.572 633 1HE LYS 87 2HE LYS 87 17.656 8.870 -0.758 634 2HE LYS 87 1HE LYS 87 16.007 8.599 -0.198 635 1HZ LYS 87 1HZ LYS 87 15.710 10.759 -0.557 636 2HZ LYS 87 2HZ LYS 87 17.366 11.061 -0.721 637 3HZ LYS 87 3HZ LYS 87 16.659 11.043 0.816 638 H SER 88 H SER 88 20.649 6.445 2.847 639 HA SER 88 HA SER 88 20.798 4.090 4.376 640 1HB SER 88 2HB SER 88 22.007 6.384 4.683 641 2HB SER 88 1HB SER 88 20.591 6.805 5.648 642 HG SER 88 HG SER 88 22.100 4.452 6.096 643 H GLU 89 H GLU 89 18.191 6.114 3.620 644 HA GLU 89 HA GLU 89 16.619 5.556 5.973 645 1HB GLU 89 2HB GLU 89 16.214 7.661 4.979 646 2HB GLU 89 1HB GLU 89 16.076 6.967 3.371 647 1HG GLU 89 2HG GLU 89 13.891 7.482 3.956 648 2HG GLU 89 1HG GLU 89 14.018 5.750 4.260 649 H ASP 90 H ASP 90 16.770 4.446 2.620 650 HA ASP 90 HA ASP 90 14.467 2.926 2.481 651 1HB ASP 90 2HB ASP 90 16.783 3.255 0.924 652 2HB ASP 90 1HB ASP 90 16.647 1.524 1.212 653 H THR 91 H THR 91 17.429 2.290 4.188 654 HA THR 91 HA THR 91 17.132 -0.489 4.577 655 HB THR 91 HB THR 91 18.509 1.561 6.326 656 HG1 THR 91 1HG THR 91 19.476 1.426 4.300 657 1HG2 THR 91 1HG2 THR 91 18.540 -0.139 7.812 658 2HG2 THR 91 2HG2 THR 91 19.812 -0.778 6.770 659 3HG2 THR 91 3HG2 THR 91 18.153 -1.349 6.590 660 H ALA 92 H ALA 92 14.988 -0.935 5.108 661 HA ALA 92 HA ALA 92 14.355 -0.871 7.877 662 1HB ALA 92 1HB ALA 92 13.814 1.453 7.384 663 2HB ALA 92 2HB ALA 92 12.354 0.541 7.765 664 3HB ALA 92 3HB ALA 92 12.732 0.938 6.089 665 H VAL 93 H VAL 93 11.843 -1.437 8.088 666 HA VAL 93 HA VAL 93 11.447 -3.745 6.327 667 HB VAL 93 HB VAL 93 9.991 -3.065 8.890 668 1HG1 VAL 93 1HG1 VAL 93 10.062 -5.500 7.127 669 2HG1 VAL 93 2HG1 VAL 93 8.663 -4.545 7.621 670 3HG1 VAL 93 3HG1 VAL 93 9.504 -5.553 8.800 671 1HG2 VAL 93 1HG2 VAL 93 11.428 -4.846 9.887 672 2HG2 VAL 93 2HG2 VAL 93 12.310 -3.393 9.418 673 3HG2 VAL 93 3HG2 VAL 93 12.386 -4.835 8.407 674 H TYR 94 H TYR 94 9.500 -4.074 5.191 675 HA TYR 94 HA TYR 94 7.761 -1.703 5.051 676 1HB TYR 94 2HB TYR 94 8.706 -3.478 2.800 677 2HB TYR 94 1HB TYR 94 7.443 -2.262 2.627 678 HD1 TYR 94 1HD TYR 94 8.040 -0.106 1.987 679 HD2 TYR 94 2HD TYR 94 10.978 -2.608 3.778 680 HE1 TYR 94 1HE TYR 94 9.746 1.622 1.592 681 HE2 TYR 94 2HE TYR 94 12.689 -0.889 3.391 682 HH TYR 94 HH TYR 94 13.072 1.022 1.899 683 H TYR 95 H TYR 95 5.580 -1.982 4.702 684 HA TYR 95 HA TYR 95 4.508 -4.713 4.907 685 1HB TYR 95 2HB TYR 95 3.489 -2.351 6.505 686 2HB TYR 95 1HB TYR 95 2.934 -4.020 6.612 687 HD1 TYR 95 1HD TYR 95 5.674 -1.721 7.348 688 HD2 TYR 95 2HD TYR 95 4.152 -5.638 7.946 689 HE1 TYR 95 1HE TYR 95 7.313 -2.069 9.132 690 HE2 TYR 95 2HE TYR 95 5.793 -6.010 9.740 691 HH TYR 95 HH TYR 95 7.622 -5.200 10.762 692 H CYS 96 H CYS 96 2.094 -4.724 4.471 693 HA CYS 96 HA CYS 96 1.280 -2.552 2.688 694 1HB CYS 96 2HB CYS 96 0.326 -4.349 1.134 695 2HB CYS 96 1HB CYS 96 2.071 -4.123 1.103 696 H ALA 97 H ALA 97 -0.888 -2.110 2.681 697 HA ALA 97 HA ALA 97 -2.829 -3.895 3.788 698 1HB ALA 97 1HB ALA 97 -2.472 -3.393 5.934 699 2HB ALA 97 2HB ALA 97 -3.299 -1.881 5.560 700 3HB ALA 97 3HB ALA 97 -1.535 -1.951 5.542 701 H LYS 98 H LYS 98 -4.975 -2.863 4.003 702 HA LYS 98 HA LYS 98 -5.431 -1.108 1.742 703 1HB LYS 98 2HB LYS 98 -7.082 -2.679 1.667 704 2HB LYS 98 1HB LYS 98 -7.052 -2.948 3.402 705 1HG LYS 98 2HG LYS 98 -8.090 -0.396 3.148 706 2HG LYS 98 1HG LYS 98 -8.811 -1.292 1.809 707 1HD LYS 98 2HD LYS 98 -10.184 -2.358 3.199 708 2HD LYS 98 1HD LYS 98 -8.825 -2.894 4.191 709 1HE LYS 98 2HE LYS 98 -9.584 -1.558 5.798 710 2HE LYS 98 1HE LYS 98 -9.117 -0.192 4.786 711 1HZ LYS 98 1HZ LYS 98 -11.768 -1.369 5.213 712 2HZ LYS 98 2HZ LYS 98 -11.440 -0.655 3.714 713 3HZ LYS 98 3HZ LYS 98 -11.312 0.259 5.132 714 H TYR 99 H TYR 99 -6.579 0.876 1.883 715 HA TYR 99 HA TYR 99 -5.942 2.373 4.274 716 1HB TYR 99 2HB TYR 99 -6.249 2.978 1.524 717 2HB TYR 99 1HB TYR 99 -7.464 3.909 2.392 718 HD1 TYR 99 1HD TYR 99 -3.835 3.047 2.672 719 HD2 TYR 99 2HD TYR 99 -6.861 5.997 3.153 720 HE1 TYR 99 1HE TYR 99 -2.120 4.696 3.298 721 HE2 TYR 99 2HE TYR 99 -5.157 7.654 3.779 722 HH TYR 99 HH TYR 99 -2.551 7.898 3.268 723 H SER 100 H SER 100 -7.267 2.374 5.943 724 HA SER 100 HA SER 100 -10.108 1.873 5.599 725 1HB SER 100 2HB SER 100 -8.178 1.782 7.834 726 2HB SER 100 1HB SER 100 -9.804 2.312 8.266 727 HG SER 100 HG SER 100 -8.950 -0.148 7.211 728 H GLY 101 H GLY 101 -8.437 4.478 5.034 729 1HA GLY 101 2HA GLY 101 -9.878 6.498 4.728 730 2HA GLY 101 1HA GLY 101 -10.305 6.297 6.420 731 H GLY 102 H GLY 102 -8.196 6.068 7.842 732 1HA GLY 102 2HA GLY 102 -6.317 8.169 6.970 733 2HA GLY 102 1HA GLY 102 -7.004 8.170 8.588 734 H ALA 103 H ALA 103 -4.335 7.427 6.868 735 HA ALA 103 HA ALA 103 -2.392 6.346 7.350 736 1HB ALA 103 1HB ALA 103 -2.017 6.858 9.492 737 2HB ALA 103 2HB ALA 103 -2.584 5.226 9.845 738 3HB ALA 103 3HB ALA 103 -3.699 6.588 9.947 739 H LEU 104 H LEU 104 -1.469 4.179 7.613 740 HA LEU 104 HA LEU 104 -3.414 2.161 6.776 741 1HB LEU 104 2HB LEU 104 -1.163 2.818 5.556 742 2HB LEU 104 1HB LEU 104 -0.477 1.669 6.689 743 HG LEU 104 HG LEU 104 -1.944 -0.089 5.834 744 1HD1 LEU 104 1HD1 LEU 104 -3.130 0.531 3.620 745 2HD1 LEU 104 2HD1 LEU 104 -3.076 2.172 4.259 746 3HD1 LEU 104 3HD1 LEU 104 -3.906 0.902 5.159 747 1HD2 LEU 104 1HD2 LEU 104 -1.134 0.293 3.271 748 2HD2 LEU 104 2HD2 LEU 104 -0.126 -0.365 4.560 749 3HD2 LEU 104 3HD2 LEU 104 -0.028 1.348 4.151 750 H ASP 105 H ASP 105 -3.264 -0.013 7.567 751 HA ASP 105 HA ASP 105 -2.600 -0.074 10.416 752 1HB ASP 105 2HB ASP 105 -4.877 -0.807 9.222 753 2HB ASP 105 1HB ASP 105 -4.016 -2.337 9.098 754 H ALA 106 H ALA 106 -1.790 -1.559 7.371 755 HA ALA 106 HA ALA 106 -0.105 -2.934 6.717 756 1HB ALA 106 1HB ALA 106 1.480 -3.087 9.098 757 2HB ALA 106 2HB ALA 106 0.957 -1.425 8.825 758 3HB ALA 106 3HB ALA 106 1.837 -2.291 7.566 759 H TRP 107 H TRP 107 -0.774 -4.963 6.433 760 HA TRP 107 HA TRP 107 -0.879 -6.722 8.786 761 1HB TRP 107 2HB TRP 107 -2.602 -7.214 6.382 762 2HB TRP 107 1HB TRP 107 -2.795 -7.831 8.018 763 HD1 TRP 107 HD TRP 107 -3.044 -5.392 9.783 764 HE1 TRP 107 1HE TRP 107 -4.933 -3.666 9.502 765 HE3 TRP 107 3HE TRP 107 -4.266 -6.336 4.922 766 HZ2 TRP 107 2HZ TRP 107 -6.706 -2.815 7.471 767 HZ3 TRP 107 3HZ TRP 107 -6.068 -5.026 3.879 768 HH2 TRP 107 HH TRP 107 -7.258 -3.303 5.128 769 H GLY 108 H GLY 108 0.481 -6.076 5.839 770 1HA GLY 108 2HA GLY 108 0.982 -8.768 4.971 771 2HA GLY 108 1HA GLY 108 1.714 -7.311 4.315 772 H GLN 109 H GLN 109 2.918 -9.917 5.033 773 HA GLN 109 HA GLN 109 4.368 -9.880 7.381 774 1HB GLN 109 2HB GLN 109 4.857 -11.045 4.677 775 2HB GLN 109 1HB GLN 109 6.180 -11.039 5.836 776 1HG GLN 109 2HG GLN 109 3.615 -12.023 6.874 777 2HG GLN 109 1HG GLN 109 4.351 -13.010 5.612 778 1HE2 GLN 109 1HE2 GLN 109 4.234 -14.389 7.704 779 2HE2 GLN 109 2HE2 GLN 109 5.688 -14.421 8.636 780 H GLY 110 H GLY 110 6.046 -8.754 8.138 781 1HA GLY 110 2HA GLY 110 6.863 -6.390 6.781 782 2HA GLY 110 1HA GLY 110 7.515 -6.988 8.298 783 H THR 111 H THR 111 7.933 -6.743 4.903 784 HA THR 111 HA THR 111 10.004 -8.679 4.615 785 HB THR 111 HB THR 111 8.762 -7.983 2.660 786 HG1 THR 111 1HG THR 111 11.101 -6.821 1.885 787 1HG2 THR 111 1HG2 THR 111 9.701 -5.259 3.463 788 2HG2 THR 111 2HG2 THR 111 8.098 -5.787 2.948 789 3HG2 THR 111 3HG2 THR 111 9.392 -5.609 1.762 790 H GLN 112 H GLN 112 12.179 -8.476 4.773 791 HA GLN 112 HA GLN 112 13.165 -6.105 6.134 792 1HB GLN 112 2HB GLN 112 13.732 -8.293 7.050 793 2HB GLN 112 1HB GLN 112 14.501 -8.747 5.535 794 1HG GLN 112 2HG GLN 112 16.307 -8.164 6.822 795 2HG GLN 112 1HG GLN 112 15.982 -6.659 5.963 796 1HE2 GLN 112 1HE2 GLN 112 14.800 -5.004 7.089 797 2HE2 GLN 112 2HE2 GLN 112 14.909 -4.890 8.810 798 H VAL 113 H VAL 113 13.602 -4.473 4.778 799 HA VAL 113 HA VAL 113 15.220 -5.027 2.375 800 HB VAL 113 HB VAL 113 13.535 -2.609 3.058 801 1HG1 VAL 113 1HG1 VAL 113 15.580 -3.090 0.983 802 2HG1 VAL 113 2HG1 VAL 113 15.058 -1.583 1.738 803 3HG1 VAL 113 3HG1 VAL 113 14.092 -2.307 0.452 804 1HG2 VAL 113 1HG2 VAL 113 11.877 -3.450 1.783 805 2HG2 VAL 113 2HG2 VAL 113 12.636 -4.995 2.174 806 3HG2 VAL 113 3HG2 VAL 113 12.991 -4.199 0.639 807 H THR 114 H THR 114 17.309 -4.333 2.328 808 HA THR 114 HA THR 114 18.089 -2.272 4.282 809 HB THR 114 HB THR 114 19.949 -4.548 3.736 810 HG1 THR 114 1HG THR 114 19.023 -5.423 5.775 811 1HG2 THR 114 1HG2 THR 114 20.097 -2.192 5.199 812 2HG2 THR 114 2HG2 THR 114 21.199 -3.567 5.304 813 3HG2 THR 114 3HG2 THR 114 19.831 -3.447 6.411 814 H VAL 115 H VAL 115 20.181 -1.291 3.885 815 HA VAL 115 HA VAL 115 20.985 -1.271 1.054 816 HB VAL 115 HB VAL 115 20.899 1.230 2.718 817 1HG1 VAL 115 1HG1 VAL 115 21.167 2.383 0.712 818 2HG1 VAL 115 2HG1 VAL 115 20.673 0.997 -0.261 819 3HG1 VAL 115 3HG1 VAL 115 22.240 0.993 0.551 820 1HG2 VAL 115 1HG2 VAL 115 18.737 1.759 2.024 821 2HG2 VAL 115 2HG2 VAL 115 18.627 0.059 2.486 822 3HG2 VAL 115 3HG2 VAL 115 18.728 0.508 0.781 823 H SER 116 H SER 116 23.003 -2.070 1.093 824 HA SER 116 HA SER 116 24.905 -0.916 3.017 825 1HB SER 116 2HB SER 116 24.246 -3.286 3.586 826 2HB SER 116 1HB SER 116 24.991 -3.785 2.067 827 HG SER 116 HG SER 116 26.800 -3.788 3.115 828 H SER 117 H SER 117 27.046 -0.665 2.288 829 HA SER 117 HA SER 117 27.266 -0.151 -0.529 830 1HB SER 117 2HB SER 117 28.532 0.791 1.797 831 2HB SER 117 1HB SER 117 29.795 -0.016 0.866 832 HG SER 117 HG SER 117 28.079 2.068 0.000 833 H GLN 118 H GLN 118 27.664 -1.699 -1.953 834 HA GLN 118 HA GLN 118 29.107 -4.100 -1.142 835 1HB GLN 118 2HB GLN 118 27.373 -3.359 -3.466 836 2HB GLN 118 1HB GLN 118 28.495 -4.703 -3.627 837 1HG GLN 118 2HG GLN 118 26.978 -4.871 -1.172 838 2HG GLN 118 1HG GLN 118 25.930 -4.787 -2.587 839 1HE2 GLN 118 1HE2 GLN 118 26.372 -6.322 -4.326 840 2HE2 GLN 118 2HE2 GLN 118 26.960 -7.894 -3.918 841 H SER 119 H SER 119 30.220 -1.275 -1.822 842 HA SER 119 HA SER 119 31.900 -1.707 -4.100 843 1HB SER 119 2HB SER 119 33.045 0.346 -2.586 844 2HB SER 119 1HB SER 119 31.921 0.530 -3.931 845 HG SER 119 HG SER 119 31.359 1.513 -1.800 846 H GLU 120 H GLU 120 34.040 -2.262 -4.186 847 HA GLU 120 HA GLU 120 35.043 -3.913 -2.101 848 1HB GLU 120 2HB GLU 120 35.491 -4.145 -4.592 849 2HB GLU 120 1HB GLU 120 36.627 -2.814 -4.420 850 1HG GLU 120 2HG GLU 120 38.063 -4.065 -3.057 851 2HG GLU 120 1HG GLU 120 36.834 -5.292 -2.747 852 H GLN 121 H GLN 121 35.336 -0.564 -2.850 853 HA GLN 121 HA GLN 121 37.786 -0.049 -1.510 854 1HB GLN 121 2HB GLN 121 36.877 1.490 -3.174 855 2HB GLN 121 1HB GLN 121 35.480 1.798 -2.153 856 1HG GLN 121 2HG GLN 121 37.381 2.487 -0.432 857 2HG GLN 121 1HG GLN 121 38.257 2.794 -1.930 858 1HE2 GLN 121 1HE2 GLN 121 37.855 4.609 -3.024 859 2HE2 GLN 121 2HE2 GLN 121 36.615 5.748 -2.638 860 H LYS 122 H LYS 122 37.962 -0.685 0.562 861 HA LYS 122 HA LYS 122 35.811 0.020 2.437 862 1HB LYS 122 2HB LYS 122 38.082 -1.962 2.650 863 2HB LYS 122 1HB LYS 122 37.016 -1.560 3.989 864 1HG LYS 122 2HG LYS 122 35.258 -2.188 1.975 865 2HG LYS 122 1HG LYS 122 36.582 -3.325 1.720 866 1HD LYS 122 2HD LYS 122 35.926 -3.097 4.524 867 2HD LYS 122 1HD LYS 122 34.508 -3.544 3.573 868 1HE LYS 122 2HE LYS 122 37.176 -4.939 3.406 869 2HE LYS 122 1HE LYS 122 35.835 -5.482 4.414 870 1HZ LYS 122 1HZ LYS 122 36.190 -5.672 1.544 871 2HZ LYS 122 2HZ LYS 122 34.634 -5.237 2.045 872 3HZ LYS 122 3HZ LYS 122 35.328 -6.677 2.600 873 H LEU 123 H LEU 123 39.332 -0.364 2.789 874 HA LEU 123 HA LEU 123 40.907 0.890 3.840 875 1HB LEU 123 2HB LEU 123 39.445 2.624 2.143 876 2HB LEU 123 1HB LEU 123 39.767 3.504 3.626 877 HG LEU 123 HG LEU 123 42.216 2.733 3.297 878 1HD1 LEU 123 1HD1 LEU 123 41.399 1.175 1.390 879 2HD1 LEU 123 2HD1 LEU 123 42.917 2.054 1.205 880 3HD1 LEU 123 3HD1 LEU 123 41.456 2.640 0.410 881 1HD2 LEU 123 1HD2 LEU 123 42.672 4.670 1.878 882 2HD2 LEU 123 2HD2 LEU 123 41.460 5.046 3.103 883 3HD2 LEU 123 3HD2 LEU 123 40.966 4.752 1.436 884 H ILE 124 H ILE 124 40.575 0.160 5.930 885 HA ILE 124 HA ILE 124 39.065 2.000 7.668 886 HB ILE 124 HB ILE 124 37.840 -0.070 7.582 887 1HG1 ILE 124 2HG1 ILE 124 38.961 -0.726 10.148 888 2HG1 ILE 124 1HG1 ILE 124 38.936 1.024 9.947 889 1HG2 ILE 124 1HG2 ILE 124 38.965 -2.188 8.400 890 2HG2 ILE 124 2HG2 ILE 124 40.496 -1.350 8.148 891 3HG2 ILE 124 3HG2 ILE 124 39.410 -1.630 6.787 892 1HD1 ILE 124 1HD1 ILE 124 36.491 -0.507 9.252 893 2HD1 ILE 124 2HD1 ILE 124 36.662 1.122 9.906 894 3HD1 ILE 124 3HD1 ILE 124 36.891 -0.279 10.954 895 H SER 125 H SER 125 40.066 2.706 9.489 896 HA SER 125 HA SER 125 42.603 1.483 10.284 897 1HB SER 125 2HB SER 125 42.555 3.785 8.748 898 2HB SER 125 1HB SER 125 42.718 4.402 10.392 899 HG SER 125 HG SER 125 44.648 3.515 10.554 900 H GLU 126 H GLU 126 40.944 0.777 11.921 901 HA GLU 126 HA GLU 126 41.079 2.585 14.198 902 1HB GLU 126 2HB GLU 126 38.555 1.698 12.879 903 2HB GLU 126 1HB GLU 126 38.579 1.825 14.633 904 1HG GLU 126 2HG GLU 126 39.664 4.193 13.991 905 2HG GLU 126 1HG GLU 126 38.647 3.929 12.574 906 H GLU 127 H GLU 127 41.644 -0.335 12.957 907 HA GLU 127 HA GLU 127 42.073 -2.408 13.780 908 1HB GLU 127 2HB GLU 127 42.881 -0.569 15.747 909 2HB GLU 127 1HB GLU 127 42.035 -1.847 16.609 910 1HG GLU 127 2HG GLU 127 44.358 -2.208 14.729 911 2HG GLU 127 1HG GLU 127 44.409 -2.308 16.489 912 H ASP 128 H ASP 128 40.250 -3.545 13.327 913 HA ASP 128 HA ASP 128 38.117 -3.550 15.355 914 1HB ASP 128 2HB ASP 128 37.855 -3.127 12.686 915 2HB ASP 128 1HB ASP 128 37.617 -4.870 12.759 916 H LEU 129 H LEU 129 39.063 -5.013 16.770 917 HA LEU 129 HA LEU 129 39.473 -7.047 17.686 918 1HB LEU 129 2HB LEU 129 37.990 -8.021 15.245 919 2HB LEU 129 1HB LEU 129 38.443 -9.038 16.599 920 HG LEU 129 HG LEU 129 36.791 -6.604 17.116 921 1HD1 LEU 129 1HD1 LEU 129 35.910 -8.132 15.160 922 2HD1 LEU 129 2HD1 LEU 129 34.822 -7.507 16.398 923 3HD1 LEU 129 3HD1 LEU 129 35.414 -9.165 16.500 924 1HD2 LEU 129 1HD2 LEU 129 36.720 -7.488 19.147 925 2HD2 LEU 129 2HD2 LEU 129 37.754 -8.808 18.603 926 3HD2 LEU 129 3HD2 LEU 129 36.000 -8.962 18.501 927 H ASN 130 H ASN 130 39.639 -8.196 14.344 928 HA ASN 130 HA ASN 130 41.315 -9.124 13.125 929 1HB ASN 130 2HB ASN 130 42.260 -6.736 13.726 930 2HB ASN 130 1HB ASN 130 43.390 -7.662 14.709 931 1HD2 ASN 130 1HD2 ASN 130 42.269 -7.010 11.476 932 2HD2 ASN 130 2HD2 ASN 130 43.634 -7.679 10.655 933 H HIS 131 H HIS 131 40.617 -11.033 14.481 934 HA HIS 131 HA HIS 131 43.006 -12.218 15.669 935 1HB HIS 131 2HB HIS 131 40.973 -11.237 17.285 936 2HB HIS 131 1HB HIS 131 40.613 -12.957 17.167 937 HD1 HIS 131 1HD HIS 131 43.369 -14.189 17.267 938 HD2 HIS 131 2HD HIS 131 42.225 -11.000 19.674 939 HE1 HIS 131 1HE HIS 131 44.919 -14.251 19.246 940 HE2 HIS 131 2HE HIS 131 44.251 -12.273 20.658 941 H HIS 132 H HIS 132 43.173 -13.568 13.890 942 HA HIS 132 HA HIS 132 40.910 -15.280 13.210 943 1HB HIS 132 2HB HIS 132 43.636 -15.011 11.926 944 2HB HIS 132 1HB HIS 132 42.327 -16.024 11.325 945 HD1 HIS 132 1HD HIS 132 40.648 -14.936 9.820 946 HD2 HIS 132 2HD HIS 132 43.059 -12.172 11.775 947 HE1 HIS 132 1HE HIS 132 40.096 -12.711 8.784 948 HE2 HIS 132 2HE HIS 132 41.603 -11.061 9.947 949 H HIS 133 H HIS 133 44.323 -15.618 14.165 950 HA HIS 133 HA HIS 133 44.171 -18.447 14.474 951 1HB HIS 133 2HB HIS 133 46.364 -18.038 15.789 952 2HB HIS 133 1HB HIS 133 46.338 -17.666 14.068 953 HD1 HIS 133 1HD HIS 133 45.074 -15.470 16.891 954 HD2 HIS 133 2HD HIS 133 48.033 -15.534 13.974 955 HE1 HIS 133 1HE HIS 133 46.173 -13.211 16.999 956 HE2 HIS 133 2HE HIS 133 48.022 -13.307 15.289 957 H HIS 134 H HIS 134 45.065 -19.290 16.752 958 HA HIS 134 HA HIS 134 42.981 -18.568 18.653 959 1HB HIS 134 2HB HIS 134 44.923 -20.860 18.453 960 2HB HIS 134 1HB HIS 134 43.997 -20.570 19.922 961 HD1 HIS 134 1HD HIS 134 41.339 -20.717 19.652 962 HD2 HIS 134 2HD HIS 134 43.574 -22.179 16.469 963 HE1 HIS 134 1HE HIS 134 39.750 -22.126 18.304 964 HE2 HIS 134 2HE HIS 134 41.104 -22.929 16.337 965 H HIS 135 H HIS 135 44.093 -19.170 21.059 966 HA HIS 135 HA HIS 135 45.669 -16.813 21.568 967 1HB HIS 135 2HB HIS 135 44.758 -18.980 23.472 968 2HB HIS 135 1HB HIS 135 45.430 -17.418 23.930 969 HD1 HIS 135 1HD HIS 135 42.563 -18.450 21.630 970 HD2 HIS 135 2HD HIS 135 43.410 -15.837 24.749 971 HE1 HIS 135 1HE HIS 135 40.436 -17.168 22.030 972 HE2 HIS 135 2HE HIS 135 40.949 -15.649 23.974 Start of MODEL 7 1 1H ASP 1 1HT ASP 1 -10.333 -7.369 10.150 2 2H ASP 1 2HT ASP 1 -9.509 -8.803 9.798 3 3H ASP 1 3HT ASP 1 -10.947 -8.851 10.687 4 HA ASP 1 HA ASP 1 -12.146 -9.032 8.867 5 1HB ASP 1 2HB ASP 1 -10.666 -6.497 8.178 6 2HB ASP 1 1HB ASP 1 -11.861 -7.190 7.086 7 H VAL 2 H VAL 2 -9.321 -7.698 7.181 8 HA VAL 2 HA VAL 2 -8.967 -10.318 5.881 9 HB VAL 2 HB VAL 2 -8.913 -9.431 3.806 10 1HG1 VAL 2 1HG1 VAL 2 -10.791 -8.128 5.386 11 2HG1 VAL 2 2HG1 VAL 2 -10.785 -8.248 3.626 12 3HG1 VAL 2 3HG1 VAL 2 -10.056 -6.849 4.417 13 1HG2 VAL 2 1HG2 VAL 2 -6.955 -8.241 3.721 14 2HG2 VAL 2 2HG2 VAL 2 -7.398 -7.200 5.073 15 3HG2 VAL 2 3HG2 VAL 2 -8.124 -6.942 3.488 16 H GLN 3 H GLN 3 -6.847 -10.917 5.290 17 HA GLN 3 HA GLN 3 -4.692 -9.317 6.485 18 1HB GLN 3 2HB GLN 3 -5.415 -11.323 7.904 19 2HB GLN 3 1HB GLN 3 -4.731 -12.325 6.630 20 1HG GLN 3 2HG GLN 3 -2.788 -10.396 7.253 21 2HG GLN 3 1HG GLN 3 -3.415 -10.995 8.788 22 1HE2 GLN 3 1HE2 GLN 3 -0.921 -11.390 6.935 23 2HE2 GLN 3 2HE2 GLN 3 -0.657 -13.094 7.035 24 H LEU 4 H LEU 4 -2.787 -9.274 5.373 25 HA LEU 4 HA LEU 4 -2.702 -10.807 2.855 26 1HB LEU 4 2HB LEU 4 -1.198 -8.356 2.704 27 2HB LEU 4 1HB LEU 4 -2.469 -8.949 1.653 28 HG LEU 4 HG LEU 4 -3.135 -7.636 4.267 29 1HD1 LEU 4 1HD1 LEU 4 -3.524 -5.648 2.500 30 2HD1 LEU 4 2HD1 LEU 4 -2.074 -6.388 1.822 31 3HD1 LEU 4 3HD1 LEU 4 -2.072 -5.814 3.489 32 1HD2 LEU 4 1HD2 LEU 4 -4.561 -8.529 1.854 33 2HD2 LEU 4 2HD2 LEU 4 -5.047 -6.954 2.483 34 3HD2 LEU 4 3HD2 LEU 4 -5.122 -8.379 3.521 35 H GLN 5 H GLN 5 -0.265 -10.312 1.928 36 HA GLN 5 HA GLN 5 1.721 -10.583 4.019 37 1HB GLN 5 2HB GLN 5 1.025 -12.868 3.882 38 2HB GLN 5 1HB GLN 5 1.047 -12.833 2.125 39 1HG GLN 5 2HG GLN 5 3.622 -12.155 2.776 40 2HG GLN 5 1HG GLN 5 3.197 -13.335 4.015 41 1HE2 GLN 5 1HE2 GLN 5 1.713 -15.146 2.853 42 2HE2 GLN 5 2HE2 GLN 5 2.510 -15.892 1.515 43 H ALA 6 H ALA 6 3.754 -9.992 3.360 44 HA ALA 6 HA ALA 6 4.079 -9.374 0.501 45 1HB ALA 6 1HB ALA 6 4.834 -7.264 0.892 46 2HB ALA 6 2HB ALA 6 5.466 -7.667 2.488 47 3HB ALA 6 3HB ALA 6 3.733 -7.431 2.259 48 H SER 7 H SER 7 6.370 -9.102 -0.170 49 HA SER 7 HA SER 7 8.530 -10.077 1.335 50 1HB SER 7 2HB SER 7 7.257 -12.220 1.140 51 2HB SER 7 1HB SER 7 7.412 -12.107 -0.613 52 HG SER 7 HG SER 7 9.820 -11.792 0.504 53 H GLY 8 H GLY 8 10.441 -10.631 -0.129 54 1HA GLY 8 2HA GLY 8 11.280 -10.481 -2.444 55 2HA GLY 8 1HA GLY 8 10.226 -9.090 -2.642 56 H GLY 9 H GLY 9 11.714 -9.238 0.410 57 1HA GLY 9 2HA GLY 9 13.129 -6.822 0.005 58 2HA GLY 9 1HA GLY 9 13.263 -7.870 1.409 59 H GLY 10 H GLY 10 15.277 -6.373 -0.228 60 1HA GLY 10 2HA GLY 10 17.163 -8.595 -0.451 61 2HA GLY 10 1HA GLY 10 16.916 -7.606 -1.883 62 H LEU 11 H LEU 11 19.402 -7.662 -1.106 63 HA LEU 11 HA LEU 11 19.839 -5.272 0.553 64 1HB LEU 11 2HB LEU 11 21.324 -7.796 0.171 65 2HB LEU 11 1HB LEU 11 22.306 -6.348 0.297 66 HG LEU 11 HG LEU 11 20.582 -6.049 2.408 67 1HD1 LEU 11 1HD1 LEU 11 20.910 -8.934 1.809 68 2HD1 LEU 11 2HD1 LEU 11 19.566 -8.076 2.565 69 3HD1 LEU 11 3HD1 LEU 11 21.025 -8.422 3.493 70 1HD2 LEU 11 1HD2 LEU 11 23.335 -6.431 1.946 71 2HD2 LEU 11 2HD2 LEU 11 22.882 -7.503 3.271 72 3HD2 LEU 11 3HD2 LEU 11 22.552 -5.774 3.384 73 H VAL 12 H VAL 12 19.949 -3.533 -0.715 74 HA VAL 12 HA VAL 12 21.530 -3.714 -3.196 75 HB VAL 12 HB VAL 12 20.260 -1.971 -4.147 76 1HG1 VAL 12 1HG1 VAL 12 19.125 -4.244 -3.831 77 2HG1 VAL 12 2HG1 VAL 12 18.110 -2.874 -4.280 78 3HG1 VAL 12 3HG1 VAL 12 18.143 -3.437 -2.608 79 1HG2 VAL 12 1HG2 VAL 12 18.338 -1.251 -2.202 80 2HG2 VAL 12 2HG2 VAL 12 19.591 -0.241 -2.928 81 3HG2 VAL 12 3HG2 VAL 12 19.926 -1.130 -1.443 82 H GLN 13 H GLN 13 22.244 -1.286 -3.778 83 HA GLN 13 HA GLN 13 23.711 -0.305 -1.420 84 1HB GLN 13 2HB GLN 13 24.711 0.410 -4.109 85 2HB GLN 13 1HB GLN 13 25.597 -0.054 -2.663 86 1HG GLN 13 2HG GLN 13 25.989 -1.993 -3.657 87 2HG GLN 13 1HG GLN 13 24.286 -2.371 -3.408 88 1HE2 GLN 13 1HE2 GLN 13 25.681 0.025 -5.582 89 2HE2 GLN 13 2HE2 GLN 13 25.117 -0.704 -7.043 90 HA PRO 14 HA PRO 14 21.823 3.667 -1.706 91 1HB PRO 14 2HB PRO 14 24.529 4.899 -1.753 92 2HB PRO 14 1HB PRO 14 23.188 5.169 -0.633 93 1HG PRO 14 2HG PRO 14 25.311 3.761 0.128 94 2HG PRO 14 1HG PRO 14 23.676 3.272 0.617 95 1HD PRO 14 2HD PRO 14 25.434 2.136 -1.527 96 2HD PRO 14 1HD PRO 14 24.386 1.294 -0.365 97 H GLY 15 H GLY 15 21.177 3.202 -3.937 98 1HA GLY 15 2HA GLY 15 21.280 5.129 -5.735 99 2HA GLY 15 1HA GLY 15 22.846 4.385 -6.026 100 H GLY 16 H GLY 16 21.571 1.727 -5.255 101 1HA GLY 16 2HA GLY 16 20.939 0.901 -7.910 102 2HA GLY 16 1HA GLY 16 20.843 -0.092 -6.463 103 H SER 17 H SER 17 18.873 -1.016 -6.625 104 HA SER 17 HA SER 17 16.571 0.488 -6.022 105 1HB SER 17 2HB SER 17 15.364 0.556 -8.036 106 2HB SER 17 1HB SER 17 16.990 1.040 -8.514 107 HG SER 17 HG SER 17 15.540 -1.163 -9.230 108 H LEU 18 H LEU 18 15.007 -0.794 -5.225 109 HA LEU 18 HA LEU 18 15.235 -3.692 -5.711 110 1HB LEU 18 2HB LEU 18 15.880 -3.527 -3.492 111 2HB LEU 18 1HB LEU 18 14.832 -2.158 -3.179 112 HG LEU 18 HG LEU 18 13.228 -4.468 -3.802 113 1HD1 LEU 18 1HD1 LEU 18 14.985 -5.871 -3.052 114 2HD1 LEU 18 2HD1 LEU 18 13.827 -5.745 -1.727 115 3HD1 LEU 18 3HD1 LEU 18 15.329 -4.819 -1.680 116 1HD2 LEU 18 1HD2 LEU 18 12.646 -2.370 -2.527 117 2HD2 LEU 18 2HD2 LEU 18 13.545 -3.049 -1.172 118 3HD2 LEU 18 3HD2 LEU 18 12.126 -3.888 -1.797 119 H ARG 19 H ARG 19 13.326 -4.847 -5.946 120 HA ARG 19 HA ARG 19 10.882 -3.220 -6.162 121 1HB ARG 19 2HB ARG 19 11.710 -3.805 -8.388 122 2HB ARG 19 1HB ARG 19 11.750 -5.505 -7.942 123 1HG ARG 19 2HG ARG 19 9.152 -4.783 -7.400 124 2HG ARG 19 1HG ARG 19 9.534 -3.870 -8.862 125 1HD ARG 19 2HD ARG 19 9.750 -6.847 -8.451 126 2HD ARG 19 1HD ARG 19 8.631 -5.993 -9.512 127 HE ARG 19 HE ARG 19 11.311 -6.737 -10.107 128 1HH1 ARG 19 1HH1 ARG 19 8.923 -4.264 -10.677 129 2HH1 ARG 19 2HH1 ARG 19 9.596 -3.783 -12.198 130 1HH2 ARG 19 1HH2 ARG 19 12.202 -6.113 -12.111 131 2HH2 ARG 19 2HH2 ARG 19 11.459 -4.835 -13.014 132 H VAL 20 H VAL 20 9.654 -3.784 -4.459 133 HA VAL 20 HA VAL 20 9.568 -6.630 -3.747 134 HB VAL 20 HB VAL 20 9.863 -4.507 -2.064 135 1HG1 VAL 20 1HG1 VAL 20 7.875 -4.446 -0.656 136 2HG1 VAL 20 2HG1 VAL 20 7.019 -5.370 -1.890 137 3HG1 VAL 20 3HG1 VAL 20 7.619 -3.751 -2.257 138 1HG2 VAL 20 1HG2 VAL 20 10.601 -6.371 -1.109 139 2HG2 VAL 20 2HG2 VAL 20 9.335 -7.353 -1.848 140 3HG2 VAL 20 3HG2 VAL 20 8.988 -6.419 -0.392 141 H SER 21 H SER 21 7.484 -7.345 -2.837 142 HA SER 21 HA SER 21 5.144 -6.224 -4.194 143 1HB SER 21 2HB SER 21 4.567 -8.660 -4.909 144 2HB SER 21 1HB SER 21 5.708 -7.731 -5.881 145 HG SER 21 HG SER 21 6.731 -9.615 -5.558 146 H CYS 22 H CYS 22 3.098 -7.334 -3.549 147 HA CYS 22 HA CYS 22 3.226 -8.724 -0.994 148 1HB CYS 22 2HB CYS 22 3.088 -6.429 -0.279 149 2HB CYS 22 1HB CYS 22 1.776 -6.112 -1.408 150 H ALA 23 H ALA 23 2.078 -10.493 -1.294 151 HA ALA 23 HA ALA 23 -0.179 -10.463 -3.137 152 1HB ALA 23 1HB ALA 23 1.365 -12.276 -3.430 153 2HB ALA 23 2HB ALA 23 -0.149 -12.932 -2.809 154 3HB ALA 23 3HB ALA 23 1.230 -12.726 -1.730 155 H ALA 24 H ALA 24 -1.997 -9.697 -2.227 156 HA ALA 24 HA ALA 24 -2.631 -10.279 0.545 157 1HB ALA 24 1HB ALA 24 -3.168 -8.084 0.023 158 2HB ALA 24 2HB ALA 24 -4.729 -8.901 -0.079 159 3HB ALA 24 3HB ALA 24 -3.837 -8.515 -1.552 160 H SER 25 H SER 25 -4.973 -10.875 1.019 161 HA SER 25 HA SER 25 -6.204 -12.650 -0.918 162 1HB SER 25 2HB SER 25 -4.528 -14.075 0.252 163 2HB SER 25 1HB SER 25 -5.325 -13.707 1.781 164 HG SER 25 HG SER 25 -6.367 -15.484 1.233 165 H GLY 26 H GLY 26 -8.333 -12.403 -0.816 166 1HA GLY 26 2HA GLY 26 -10.214 -12.624 0.933 167 2HA GLY 26 1HA GLY 26 -9.475 -11.178 1.605 168 H PHE 27 H PHE 27 -9.136 -9.389 -0.113 169 HA PHE 27 HA PHE 27 -11.633 -9.185 -1.657 170 1HB PHE 27 2HB PHE 27 -11.628 -6.834 -1.307 171 2HB PHE 27 1HB PHE 27 -11.273 -7.561 0.253 172 HD1 PHE 27 1HD PHE 27 -9.724 -5.852 -2.649 173 HD2 PHE 27 2HD PHE 27 -9.322 -7.021 1.425 174 HE1 PHE 27 1HE PHE 27 -7.729 -4.433 -2.443 175 HE2 PHE 27 2HE PHE 27 -7.322 -5.602 1.637 176 HZ PHE 27 HZ PHE 27 -6.524 -4.310 -0.304 177 H THR 28 H THR 28 -11.288 -7.363 -3.462 178 HA THR 28 HA THR 28 -9.436 -8.511 -5.303 179 HB THR 28 HB THR 28 -10.800 -5.872 -5.755 180 HG1 THR 28 1HG THR 28 -11.965 -8.472 -5.846 181 1HG2 THR 28 1HG2 THR 28 -10.479 -8.135 -7.698 182 2HG2 THR 28 2HG2 THR 28 -9.149 -7.021 -7.383 183 3HG2 THR 28 3HG2 THR 28 -10.677 -6.413 -8.020 184 H PHE 29 H PHE 29 -9.336 -5.257 -5.953 185 HA PHE 29 HA PHE 29 -7.245 -4.385 -4.254 186 1HB PHE 29 2HB PHE 29 -6.411 -6.117 -6.307 187 2HB PHE 29 1HB PHE 29 -5.969 -4.498 -6.842 188 HD1 PHE 29 1HD PHE 29 -5.505 -7.022 -4.209 189 HD2 PHE 29 2HD PHE 29 -4.249 -3.267 -5.763 190 HE1 PHE 29 1HE PHE 29 -3.540 -7.073 -2.730 191 HE2 PHE 29 2HE PHE 29 -2.282 -3.311 -4.288 192 HZ PHE 29 HZ PHE 29 -1.926 -5.215 -2.767 193 H SER 30 H SER 30 -8.147 -4.082 -7.699 194 HA SER 30 HA SER 30 -7.805 -1.258 -7.737 195 1HB SER 30 2HB SER 30 -7.622 -2.197 -9.858 196 2HB SER 30 1HB SER 30 -8.994 -3.277 -9.611 197 HG SER 30 HG SER 30 -9.522 -1.566 -11.020 198 H SER 31 H SER 31 -10.301 -3.310 -6.646 199 HA SER 31 HA SER 31 -12.437 -1.389 -6.947 200 1HB SER 31 2HB SER 31 -13.308 -3.530 -7.029 201 2HB SER 31 1HB SER 31 -12.183 -4.148 -5.821 202 HG SER 31 HG SER 31 -14.421 -2.464 -5.361 203 H TYR 32 H TYR 32 -10.099 -2.300 -4.554 204 HA TYR 32 HA TYR 32 -11.346 -0.463 -2.616 205 1HB TYR 32 2HB TYR 32 -9.550 -2.857 -2.217 206 2HB TYR 32 1HB TYR 32 -9.861 -1.684 -0.942 207 HD1 TYR 32 1HD TYR 32 -11.636 -2.041 0.501 208 HD2 TYR 32 2HD TYR 32 -11.686 -3.905 -3.324 209 HE1 TYR 32 1HE TYR 32 -13.674 -3.264 1.130 210 HE2 TYR 32 2HE TYR 32 -13.726 -5.131 -2.706 211 HH TYR 32 HH TYR 32 -15.482 -5.141 -1.190 212 H HIS 33 H HIS 33 -9.234 0.007 -0.961 213 HA HIS 33 HA HIS 33 -7.376 1.481 -2.704 214 1HB HIS 33 2HB HIS 33 -8.077 2.053 0.185 215 2HB HIS 33 1HB HIS 33 -7.077 3.049 -0.868 216 HD1 HIS 33 1HD HIS 33 -10.657 1.750 -0.809 217 HD2 HIS 33 2HD HIS 33 -8.462 5.058 -2.032 218 HE1 HIS 33 1HE HIS 33 -12.349 3.395 -1.674 219 HE2 HIS 33 2HE HIS 33 -10.989 5.347 -2.503 220 H MET 34 H MET 34 -5.144 1.538 -2.134 221 HA MET 34 HA MET 34 -4.259 -0.345 -0.086 222 1HB MET 34 2HB MET 34 -3.985 -0.733 -2.993 223 2HB MET 34 1HB MET 34 -2.508 -0.981 -2.070 224 1HG MET 34 2HG MET 34 -5.025 -2.267 -1.139 225 2HG MET 34 1HG MET 34 -4.173 -2.949 -2.524 226 1HE MET 34 1HE MET 34 -4.557 -4.866 -0.957 227 2HE MET 34 2HE MET 34 -4.341 -4.609 0.776 228 3HE MET 34 3HE MET 34 -3.146 -5.533 -0.136 229 H ALA 35 H ALA 35 -1.894 -0.218 0.290 230 HA ALA 35 HA ALA 35 -0.459 2.054 -0.707 231 1HB ALA 35 1HB ALA 35 -0.336 3.346 1.292 232 2HB ALA 35 2HB ALA 35 -1.235 2.131 2.201 233 3HB ALA 35 3HB ALA 35 -2.042 3.068 0.941 234 H TRP 36 H TRP 36 1.711 2.166 0.059 235 HA TRP 36 HA TRP 36 2.643 -0.346 1.277 236 1HB TRP 36 2HB TRP 36 3.690 1.334 -0.938 237 2HB TRP 36 1HB TRP 36 4.877 0.580 0.125 238 HD1 TRP 36 HD TRP 36 2.484 -0.187 -2.669 239 HE1 TRP 36 1HE TRP 36 2.637 -2.683 -3.298 240 HE3 TRP 36 3HE TRP 36 5.391 -1.774 1.208 241 HZ2 TRP 36 2HZ TRP 36 3.900 -5.013 -2.272 242 HZ3 TRP 36 3HZ TRP 36 6.038 -4.142 1.313 243 HH2 TRP 36 HH TRP 36 5.316 -5.725 -0.397 244 H VAL 37 H VAL 37 3.242 -0.122 3.310 245 HA VAL 37 HA VAL 37 4.221 2.483 4.226 246 HB VAL 37 HB VAL 37 3.711 1.779 6.469 247 1HG1 VAL 37 1HG1 VAL 37 1.238 0.746 5.397 248 2HG1 VAL 37 2HG1 VAL 37 1.815 2.138 4.479 249 3HG1 VAL 37 3HG1 VAL 37 1.563 2.273 6.219 250 1HG2 VAL 37 1HG2 VAL 37 2.360 -0.690 6.078 251 2HG2 VAL 37 2HG2 VAL 37 3.768 -0.345 7.090 252 3HG2 VAL 37 3HG2 VAL 37 3.987 -0.832 5.407 253 H ARG 38 H ARG 38 5.919 2.479 5.882 254 HA ARG 38 HA ARG 38 7.829 0.272 5.653 255 1HB ARG 38 2HB ARG 38 8.664 1.743 4.014 256 2HB ARG 38 1HB ARG 38 8.311 3.165 4.982 257 1HG ARG 38 2HG ARG 38 10.073 1.929 6.594 258 2HG ARG 38 1HG ARG 38 10.644 1.376 5.018 259 1HD ARG 38 2HD ARG 38 11.797 3.403 5.571 260 2HD ARG 38 1HD ARG 38 10.665 3.742 4.261 261 HE ARG 38 HE ARG 38 9.273 4.353 6.523 262 1HH1 ARG 38 1HH1 ARG 38 12.345 5.344 5.200 263 2HH1 ARG 38 2HH1 ARG 38 12.289 6.919 5.917 264 1HH2 ARG 38 1HH2 ARG 38 9.197 6.427 7.471 265 2HH2 ARG 38 2HH2 ARG 38 10.502 7.534 7.207 266 H GLN 39 H GLN 39 9.228 0.057 7.427 267 HA GLN 39 HA GLN 39 8.799 1.879 9.678 268 1HB GLN 39 2HB GLN 39 7.358 -0.310 9.688 269 2HB GLN 39 1HB GLN 39 8.864 -1.074 10.183 270 1HG GLN 39 2HG GLN 39 8.951 0.147 12.179 271 2HG GLN 39 1HG GLN 39 7.765 1.320 11.618 272 1HE2 GLN 39 1HE2 GLN 39 7.269 0.383 14.000 273 2HE2 GLN 39 2HE2 GLN 39 6.010 -0.799 14.000 274 H ALA 40 H ALA 40 10.789 2.691 9.909 275 HA ALA 40 HA ALA 40 13.160 1.149 9.437 276 1HB ALA 40 1HB ALA 40 13.569 3.336 8.928 277 2HB ALA 40 2HB ALA 40 14.170 3.305 10.585 278 3HB ALA 40 3HB ALA 40 12.563 3.946 10.243 279 HA PRO 41 HA PRO 41 13.966 -0.698 13.347 280 1HB PRO 41 2HB PRO 41 16.607 0.110 13.743 281 2HB PRO 41 1HB PRO 41 16.090 -1.325 12.855 282 1HG PRO 41 2HG PRO 41 16.886 1.360 11.826 283 2HG PRO 41 1HG PRO 41 17.193 -0.245 11.138 284 1HD PRO 41 2HD PRO 41 15.310 1.366 10.126 285 2HD PRO 41 1HD PRO 41 15.068 -0.391 10.213 286 H GLY 42 H GLY 42 12.569 0.593 14.597 287 1HA GLY 42 2HA GLY 42 12.350 1.738 16.630 288 2HA GLY 42 1HA GLY 42 13.973 2.376 16.421 289 H LYS 43 H LYS 43 10.733 2.593 14.944 290 HA LYS 43 HA LYS 43 11.019 5.502 14.910 291 1HB LYS 43 2HB LYS 43 10.514 3.777 12.495 292 2HB LYS 43 1HB LYS 43 9.991 5.455 12.551 293 1HG LYS 43 2HG LYS 43 12.810 4.867 13.233 294 2HG LYS 43 1HG LYS 43 12.316 4.731 11.545 295 1HD LYS 43 2HD LYS 43 12.076 6.957 11.306 296 2HD LYS 43 1HD LYS 43 11.368 7.150 12.911 297 1HE LYS 43 2HE LYS 43 13.685 6.816 13.844 298 2HE LYS 43 1HE LYS 43 14.283 6.937 12.189 299 1HZ LYS 43 1HZ LYS 43 14.462 9.089 12.921 300 2HZ LYS 43 2HZ LYS 43 13.072 9.013 13.881 301 3HZ LYS 43 3HZ LYS 43 12.933 9.133 12.200 302 H GLY 44 H GLY 44 8.585 3.985 12.988 303 1HA GLY 44 2HA GLY 44 6.582 3.425 14.808 304 2HA GLY 44 1HA GLY 44 6.488 5.157 14.519 305 H LEU 45 H LEU 45 7.603 3.124 11.964 306 HA LEU 45 HA LEU 45 6.744 2.534 9.946 307 1HB LEU 45 2HB LEU 45 5.060 1.424 11.539 308 2HB LEU 45 1HB LEU 45 3.992 2.753 11.133 309 HG LEU 45 HG LEU 45 5.123 1.337 8.808 310 1HD1 LEU 45 1HD1 LEU 45 3.983 -0.663 9.015 311 2HD1 LEU 45 2HD1 LEU 45 2.940 -0.057 10.300 312 3HD1 LEU 45 3HD1 LEU 45 4.631 -0.425 10.637 313 1HD2 LEU 45 1HD2 LEU 45 2.860 1.599 7.998 314 2HD2 LEU 45 2HD2 LEU 45 3.440 3.122 8.673 315 3HD2 LEU 45 3HD2 LEU 45 2.322 2.117 9.595 316 H GLU 46 H GLU 46 5.421 3.317 8.118 317 HA GLU 46 HA GLU 46 4.212 5.918 8.273 318 1HB GLU 46 2HB GLU 46 6.431 6.751 8.213 319 2HB GLU 46 1HB GLU 46 6.931 5.560 7.022 320 1HG GLU 46 2HG GLU 46 6.477 6.964 5.382 321 2HG GLU 46 1HG GLU 46 4.807 7.105 5.930 322 H TRP 47 H TRP 47 2.618 5.956 6.806 323 HA TRP 47 HA TRP 47 2.028 3.849 5.130 324 1HB TRP 47 2HB TRP 47 0.110 4.973 5.053 325 2HB TRP 47 1HB TRP 47 0.897 6.400 5.717 326 HD1 TRP 47 HD TRP 47 0.317 4.759 2.231 327 HE1 TRP 47 1HE TRP 47 0.105 6.661 0.512 328 HE3 TRP 47 3HE TRP 47 1.185 8.769 5.299 329 HZ2 TRP 47 2HZ TRP 47 0.262 9.474 0.451 330 HZ3 TRP 47 3HZ TRP 47 1.129 11.029 4.328 331 HH2 TRP 47 HH TRP 47 0.676 11.371 1.952 332 H VAL 48 H VAL 48 4.228 6.441 4.566 333 HA VAL 48 HA VAL 48 5.581 6.989 2.832 334 HB VAL 48 HB VAL 48 5.280 4.037 2.543 335 1HG1 VAL 48 1HG1 VAL 48 7.254 5.193 0.710 336 2HG1 VAL 48 2HG1 VAL 48 5.580 5.460 0.230 337 3HG1 VAL 48 3HG1 VAL 48 6.169 3.820 0.489 338 1HG2 VAL 48 1HG2 VAL 48 6.875 5.534 4.059 339 2HG2 VAL 48 2HG2 VAL 48 7.885 5.441 2.614 340 3HG2 VAL 48 3HG2 VAL 48 7.364 3.962 3.428 341 H SER 49 H SER 49 3.563 4.635 1.018 342 HA SER 49 HA SER 49 2.648 6.907 -0.625 343 1HB SER 49 2HB SER 49 3.011 5.505 -2.656 344 2HB SER 49 1HB SER 49 4.501 5.928 -1.811 345 HG SER 49 HG SER 49 4.750 3.817 -2.061 346 H THR 50 H THR 50 0.717 6.699 -1.705 347 HA THR 50 HA THR 50 -0.936 4.337 -1.143 348 HB THR 50 HB THR 50 -1.485 7.150 -0.335 349 HG1 THR 50 1HG THR 50 -1.218 4.950 0.909 350 1HG2 THR 50 1HG2 THR 50 -3.179 6.674 -2.122 351 2HG2 THR 50 2HG2 THR 50 -3.862 6.972 -0.524 352 3HG2 THR 50 3HG2 THR 50 -3.748 5.323 -1.139 353 H ILE 51 H ILE 51 -2.446 3.853 -2.745 354 HA ILE 51 HA ILE 51 -2.314 5.540 -5.157 355 HB ILE 51 HB ILE 51 -1.030 3.482 -5.480 356 1HG1 ILE 51 2HG1 ILE 51 -3.450 2.968 -7.131 357 2HG1 ILE 51 1HG1 ILE 51 -2.753 4.588 -7.216 358 1HG2 ILE 51 1HG2 ILE 51 -2.257 1.310 -5.568 359 2HG2 ILE 51 2HG2 ILE 51 -3.627 2.117 -4.807 360 3HG2 ILE 51 3HG2 ILE 51 -2.090 1.992 -3.951 361 1HD1 ILE 51 1HD1 ILE 51 -1.883 3.150 -8.970 362 2HD1 ILE 51 2HD1 ILE 51 -1.289 2.016 -7.757 363 3HD1 ILE 51 3HD1 ILE 51 -0.606 3.640 -7.855 364 H ASN 52 H ASN 52 -4.183 5.817 -6.337 365 HA ASN 52 HA ASN 52 -6.642 5.337 -4.885 366 1HB ASN 52 2HB ASN 52 -5.769 7.369 -6.541 367 2HB ASN 52 1HB ASN 52 -6.897 6.487 -7.566 368 1HD2 ASN 52 1HD2 ASN 52 -8.543 7.908 -7.593 369 2HD2 ASN 52 2HD2 ASN 52 -9.440 8.386 -6.196 370 HA PRO 53 HA PRO 53 -7.953 1.615 -6.840 371 1HB PRO 53 2HB PRO 53 -10.612 2.357 -7.336 372 2HB PRO 53 1HB PRO 53 -10.001 1.574 -5.877 373 1HG PRO 53 2HG PRO 53 -10.571 4.453 -6.387 374 2HG PRO 53 1HG PRO 53 -10.771 3.511 -4.898 375 1HD PRO 53 2HD PRO 53 -8.735 5.220 -5.195 376 2HD PRO 53 1HD PRO 53 -8.521 3.674 -4.345 377 H GLY 54 H GLY 54 -7.415 1.068 -8.838 378 1HA GLY 54 2HA GLY 54 -7.849 0.888 -11.152 379 2HA GLY 54 1HA GLY 54 -8.692 2.428 -11.090 380 H ASP 55 H ASP 55 -5.637 2.248 -9.520 381 HA ASP 55 HA ASP 55 -3.670 3.328 -9.893 382 1HB ASP 55 2HB ASP 55 -3.487 1.468 -11.545 383 2HB ASP 55 1HB ASP 55 -4.157 2.539 -12.774 384 H GLY 56 H GLY 56 -5.212 5.244 -9.437 385 1HA GLY 56 2HA GLY 56 -5.302 7.050 -11.763 386 2HA GLY 56 1HA GLY 56 -6.291 7.210 -10.318 387 H SER 57 H SER 57 -5.660 8.632 -8.832 388 HA SER 57 HA SER 57 -3.216 10.102 -9.231 389 1HB SER 57 2HB SER 57 -5.579 10.354 -7.405 390 2HB SER 57 1HB SER 57 -4.097 11.228 -7.022 391 HG SER 57 HG SER 57 -4.536 11.639 -9.568 392 H THR 58 H THR 58 -1.613 10.440 -7.571 393 HA THR 58 HA THR 58 -1.373 8.174 -5.704 394 HB THR 58 HB THR 58 1.226 9.109 -6.336 395 HG1 THR 58 1HG THR 58 0.762 9.814 -8.326 396 1HG2 THR 58 1HG2 THR 58 1.178 6.722 -7.497 397 2HG2 THR 58 2HG2 THR 58 -0.345 6.603 -6.615 398 3HG2 THR 58 3HG2 THR 58 1.158 6.907 -5.743 399 H TYR 59 H TYR 59 -0.544 8.586 -3.691 400 HA TYR 59 HA TYR 59 0.162 11.368 -3.058 401 1HB TYR 59 2HB TYR 59 -1.425 9.747 -1.101 402 2HB TYR 59 1HB TYR 59 -1.285 11.496 -1.241 403 HD1 TYR 59 1HD TYR 59 -3.109 8.542 -2.282 404 HD2 TYR 59 2HD TYR 59 -2.543 12.693 -3.019 405 HE1 TYR 59 1HE TYR 59 -5.226 8.604 -3.529 406 HE2 TYR 59 2HE TYR 59 -4.660 12.766 -4.265 407 HH TYR 59 HH TYR 59 -6.560 9.832 -4.834 408 H TYR 60 H TYR 60 1.997 11.546 -1.935 409 HA TYR 60 HA TYR 60 3.011 9.142 -0.568 410 1HB TYR 60 2HB TYR 60 4.522 11.261 -2.102 411 2HB TYR 60 1HB TYR 60 5.307 10.091 -1.047 412 HD1 TYR 60 1HD TYR 60 6.154 8.184 -2.033 413 HD2 TYR 60 2HD TYR 60 2.853 10.135 -3.874 414 HE1 TYR 60 1HE TYR 60 6.236 6.565 -3.880 415 HE2 TYR 60 2HE TYR 60 2.925 8.520 -5.726 416 HH TYR 60 HH TYR 60 3.813 6.033 -5.967 417 H ALA 61 H ALA 61 4.620 9.662 1.182 418 HA ALA 61 HA ALA 61 3.430 11.565 2.976 419 1HB ALA 61 1HB ALA 61 4.965 9.218 3.227 420 2HB ALA 61 2HB ALA 61 4.231 10.180 4.511 421 3HB ALA 61 3HB ALA 61 5.884 10.514 3.993 422 H ASP 62 H ASP 62 5.149 12.278 0.480 423 HA ASP 62 HA ASP 62 6.357 14.100 -0.144 424 1HB ASP 62 2HB ASP 62 6.482 14.941 2.751 425 2HB ASP 62 1HB ASP 62 6.667 15.954 1.324 426 H SER 63 H SER 63 7.445 12.137 2.516 427 HA SER 63 HA SER 63 10.223 12.897 2.124 428 1HB SER 63 2HB SER 63 9.474 10.608 3.879 429 2HB SER 63 1HB SER 63 10.669 11.880 4.136 430 HG SER 63 HG SER 63 9.039 13.281 4.703 431 H VAL 64 H VAL 64 8.037 10.737 0.784 432 HA VAL 64 HA VAL 64 10.238 9.051 -0.201 433 HB VAL 64 HB VAL 64 8.665 7.179 -0.407 434 1HG1 VAL 64 1HG1 VAL 64 10.050 7.330 1.577 435 2HG1 VAL 64 2HG1 VAL 64 8.469 6.664 1.985 436 3HG1 VAL 64 3HG1 VAL 64 8.843 8.345 2.367 437 1HG2 VAL 64 1HG2 VAL 64 6.728 9.143 -0.111 438 2HG2 VAL 64 2HG2 VAL 64 6.638 8.201 1.377 439 3HG2 VAL 64 3HG2 VAL 64 6.468 7.400 -0.185 440 H LYS 65 H LYS 65 8.548 11.492 -1.169 441 HA LYS 65 HA LYS 65 7.394 10.462 -3.616 442 1HB LYS 65 2HB LYS 65 6.360 12.357 -2.376 443 2HB LYS 65 1HB LYS 65 7.777 13.332 -2.742 444 1HG LYS 65 2HG LYS 65 6.338 14.012 -4.383 445 2HG LYS 65 1HG LYS 65 7.203 12.719 -5.215 446 1HD LYS 65 2HD LYS 65 5.408 11.249 -5.066 447 2HD LYS 65 1HD LYS 65 4.673 12.128 -3.723 448 1HE LYS 65 2HE LYS 65 3.589 13.551 -5.086 449 2HE LYS 65 1HE LYS 65 4.950 13.677 -6.201 450 1HZ LYS 65 1HZ LYS 65 2.603 12.155 -6.468 451 2HZ LYS 65 2HZ LYS 65 3.921 11.098 -6.416 452 3HZ LYS 65 3HZ LYS 65 3.874 12.334 -7.570 453 H GLY 66 H GLY 66 8.497 10.146 -5.418 454 1HA GLY 66 2HA GLY 66 9.934 10.856 -7.173 455 2HA GLY 66 1HA GLY 66 10.785 11.879 -6.024 456 H ARG 67 H ARG 67 10.505 9.282 -4.253 457 HA ARG 67 HA ARG 67 13.009 8.096 -5.242 458 1HB ARG 67 2HB ARG 67 12.910 7.153 -2.751 459 2HB ARG 67 1HB ARG 67 13.593 8.731 -3.125 460 1HG ARG 67 2HG ARG 67 10.794 9.010 -2.712 461 2HG ARG 67 1HG ARG 67 11.488 8.091 -1.368 462 1HD ARG 67 2HD ARG 67 11.587 10.420 -0.815 463 2HD ARG 67 1HD ARG 67 13.227 9.866 -1.151 464 HE ARG 67 HE ARG 67 12.030 10.942 -3.485 465 1HH1 ARG 67 1HH1 ARG 67 13.467 11.875 -0.448 466 2HH1 ARG 67 2HH1 ARG 67 13.990 13.422 -1.025 467 1HH2 ARG 67 1HH2 ARG 67 12.714 12.978 -4.249 468 2HH2 ARG 67 2HH2 ARG 67 13.562 14.048 -3.184 469 H PHE 68 H PHE 68 9.938 7.246 -3.652 470 HA PHE 68 HA PHE 68 10.297 4.488 -4.598 471 1HB PHE 68 2HB PHE 68 8.551 5.656 -2.431 472 2HB PHE 68 1HB PHE 68 8.429 3.987 -2.973 473 HD1 PHE 68 1HD PHE 68 11.762 4.546 -3.326 474 HD2 PHE 68 2HD PHE 68 8.844 4.241 -0.244 475 HE1 PHE 68 1HE PHE 68 13.518 3.902 -1.730 476 HE2 PHE 68 2HE PHE 68 10.598 3.596 1.355 477 HZ PHE 68 HZ PHE 68 12.935 3.426 0.611 478 H THR 69 H THR 69 8.587 3.367 -5.580 479 HA THR 69 HA THR 69 6.512 5.080 -6.785 480 HB THR 69 HB THR 69 8.009 2.809 -8.114 481 HG1 THR 69 1HG THR 69 8.006 5.627 -8.428 482 1HG2 THR 69 1HG2 THR 69 5.528 2.986 -8.645 483 2HG2 THR 69 2HG2 THR 69 6.628 3.085 -10.018 484 3HG2 THR 69 3HG2 THR 69 5.896 4.551 -9.369 485 H ILE 70 H ILE 70 4.573 4.502 -6.179 486 HA ILE 70 HA ILE 70 4.121 1.760 -5.262 487 HB ILE 70 HB ILE 70 3.637 3.686 -3.727 488 1HG1 ILE 70 2HG1 ILE 70 2.058 1.353 -4.299 489 2HG1 ILE 70 1HG1 ILE 70 2.432 2.087 -2.744 490 1HG2 ILE 70 1HG2 ILE 70 1.227 4.176 -5.457 491 2HG2 ILE 70 2HG2 ILE 70 2.699 5.143 -5.545 492 3HG2 ILE 70 3HG2 ILE 70 1.764 5.095 -4.050 493 1HD1 ILE 70 1HD1 ILE 70 0.522 3.599 -3.025 494 2HD1 ILE 70 2HD1 ILE 70 0.052 1.898 -3.027 495 3HD1 ILE 70 3HD1 ILE 70 0.132 2.794 -4.545 496 H SER 71 H SER 71 3.110 0.414 -6.556 497 HA SER 71 HA SER 71 0.869 1.250 -8.179 498 1HB SER 71 2HB SER 71 3.533 0.886 -9.318 499 2HB SER 71 1HB SER 71 2.331 -0.165 -10.067 500 HG SER 71 HG SER 71 2.322 2.658 -9.878 501 H ARG 72 H ARG 72 -0.081 -0.668 -9.349 502 HA ARG 72 HA ARG 72 0.669 -3.275 -8.384 503 1HB ARG 72 2HB ARG 72 -1.261 -3.756 -7.090 504 2HB ARG 72 1HB ARG 72 -0.631 -2.229 -6.490 505 1HG ARG 72 2HG ARG 72 -2.415 -1.449 -8.432 506 2HG ARG 72 1HG ARG 72 -3.199 -2.847 -7.697 507 1HD ARG 72 2HD ARG 72 -3.512 -1.800 -5.722 508 2HD ARG 72 1HD ARG 72 -1.987 -0.922 -5.823 509 HE ARG 72 HE ARG 72 -3.081 0.811 -6.881 510 1HH1 ARG 72 1HH1 ARG 72 -5.174 -1.961 -6.648 511 2HH1 ARG 72 2HH1 ARG 72 -6.591 -1.091 -7.124 512 1HH2 ARG 72 1HH2 ARG 72 -4.941 1.965 -7.512 513 2HH2 ARG 72 2HH2 ARG 72 -6.461 1.141 -7.619 514 H ASP 73 H ASP 73 -1.323 -4.838 -8.930 515 HA ASP 73 HA ASP 73 -1.852 -4.376 -11.763 516 1HB ASP 73 2HB ASP 73 -2.775 -6.856 -11.401 517 2HB ASP 73 1HB ASP 73 -1.061 -6.524 -11.630 518 H ASN 74 H ASN 74 -4.075 -5.543 -12.411 519 HA ASN 74 HA ASN 74 -6.157 -4.464 -10.627 520 1HB ASN 74 2HB ASN 74 -7.437 -4.071 -12.851 521 2HB ASN 74 1HB ASN 74 -6.183 -2.926 -12.382 522 1HD2 ASN 74 1HD2 ASN 74 -5.719 -2.248 -14.428 523 2HD2 ASN 74 2HD2 ASN 74 -4.965 -3.252 -15.614 524 H ALA 75 H ALA 75 -4.938 -7.220 -11.362 525 HA ALA 75 HA ALA 75 -7.321 -8.711 -11.003 526 1HB ALA 75 1HB ALA 75 -6.122 -9.391 -13.637 527 2HB ALA 75 2HB ALA 75 -7.205 -8.001 -13.549 528 3HB ALA 75 3HB ALA 75 -7.777 -9.595 -13.059 529 H LYS 76 H LYS 76 -5.115 -8.745 -9.501 530 HA LYS 76 HA LYS 76 -4.212 -11.466 -9.766 531 1HB LYS 76 2HB LYS 76 -2.642 -9.454 -10.928 532 2HB LYS 76 1HB LYS 76 -1.837 -9.858 -9.416 533 1HG LYS 76 2HG LYS 76 -2.494 -12.315 -10.535 534 2HG LYS 76 1HG LYS 76 -1.955 -11.327 -11.895 535 1HD LYS 76 2HD LYS 76 0.112 -10.807 -10.734 536 2HD LYS 76 1HD LYS 76 -0.433 -11.707 -9.317 537 1HE LYS 76 2HE LYS 76 -0.227 -13.762 -10.392 538 2HE LYS 76 1HE LYS 76 -0.251 -13.032 -11.997 539 1HZ LYS 76 1HZ LYS 76 1.958 -13.601 -11.673 540 2HZ LYS 76 2HZ LYS 76 1.964 -13.131 -10.049 541 3HZ LYS 76 3HZ LYS 76 1.938 -11.958 -11.267 542 H ASN 77 H ASN 77 -4.929 -8.737 -7.970 543 HA ASN 77 HA ASN 77 -4.875 -8.217 -5.754 544 1HB ASN 77 2HB ASN 77 -5.435 -11.001 -5.976 545 2HB ASN 77 1HB ASN 77 -4.385 -10.776 -4.580 546 1HD2 ASN 77 1HD2 ASN 77 -5.209 -9.952 -2.758 547 2HD2 ASN 77 2HD2 ASN 77 -6.834 -9.394 -2.576 548 H THR 78 H THR 78 -2.737 -7.214 -6.276 549 HA THR 78 HA THR 78 -0.786 -8.076 -4.349 550 HB THR 78 HB THR 78 0.829 -7.785 -6.627 551 HG1 THR 78 1HG THR 78 -1.279 -9.669 -7.031 552 1HG2 THR 78 1HG2 THR 78 0.258 -9.781 -4.560 553 2HG2 THR 78 2HG2 THR 78 1.803 -9.229 -5.208 554 3HG2 THR 78 3HG2 THR 78 0.879 -10.464 -6.064 555 H LEU 79 H LEU 79 0.962 -6.600 -4.084 556 HA LEU 79 HA LEU 79 0.525 -3.961 -5.310 557 1HB LEU 79 2HB LEU 79 0.167 -4.627 -2.604 558 2HB LEU 79 1HB LEU 79 1.704 -3.787 -2.671 559 HG LEU 79 HG LEU 79 -0.986 -2.757 -3.498 560 1HD1 LEU 79 1HD1 LEU 79 0.467 -0.976 -1.835 561 2HD1 LEU 79 2HD1 LEU 79 0.491 -2.580 -1.100 562 3HD1 LEU 79 3HD1 LEU 79 -1.047 -1.816 -1.497 563 1HD2 LEU 79 1HD2 LEU 79 -0.119 -1.275 -4.884 564 2HD2 LEU 79 2HD2 LEU 79 1.410 -2.147 -4.764 565 3HD2 LEU 79 3HD2 LEU 79 1.083 -0.788 -3.688 566 H TYR 80 H TYR 80 2.277 -3.240 -6.349 567 HA TYR 80 HA TYR 80 4.895 -4.357 -5.585 568 1HB TYR 80 2HB TYR 80 3.964 -3.485 -8.326 569 2HB TYR 80 1HB TYR 80 5.574 -4.082 -7.937 570 HD1 TYR 80 1HD TYR 80 6.018 -6.403 -7.817 571 HD2 TYR 80 2HD TYR 80 2.005 -5.029 -8.135 572 HE1 TYR 80 1HE TYR 80 5.271 -8.704 -8.259 573 HE2 TYR 80 2HE TYR 80 1.246 -7.324 -8.572 574 HH TYR 80 HH TYR 80 3.459 -9.904 -9.200 575 H LEU 81 H LEU 81 6.385 -2.960 -4.920 576 HA LEU 81 HA LEU 81 6.128 -0.152 -5.761 577 1HB LEU 81 2HB LEU 81 5.447 -0.391 -3.406 578 2HB LEU 81 1HB LEU 81 7.003 -1.111 -3.034 579 HG LEU 81 HG LEU 81 7.388 1.429 -4.334 580 1HD1 LEU 81 1HD1 LEU 81 5.736 2.644 -3.507 581 2HD1 LEU 81 2HD1 LEU 81 6.456 2.395 -1.916 582 3HD1 LEU 81 3HD1 LEU 81 5.177 1.319 -2.485 583 1HD2 LEU 81 1HD2 LEU 81 9.144 0.556 -3.070 584 2HD2 LEU 81 2HD2 LEU 81 8.103 0.217 -1.689 585 3HD2 LEU 81 3HD2 LEU 81 8.517 1.884 -2.093 586 H GLN 82 H GLN 82 7.954 0.859 -6.391 587 HA GLN 82 HA GLN 82 10.375 -0.797 -6.514 588 1HB GLN 82 2HB GLN 82 9.286 0.109 -8.640 589 2HB GLN 82 1HB GLN 82 9.829 1.698 -8.119 590 1HG GLN 82 2HG GLN 82 11.572 1.142 -9.450 591 2HG GLN 82 1HG GLN 82 12.149 0.444 -7.938 592 1HE2 GLN 82 1HE2 GLN 82 12.978 -1.495 -8.168 593 2HE2 GLN 82 2HE2 GLN 82 12.487 -2.692 -9.313 594 H MET 83 H MET 83 11.640 -0.383 -4.822 595 HA MET 83 HA MET 83 11.756 2.253 -3.639 596 1HB MET 83 2HB MET 83 12.918 -0.426 -2.997 597 2HB MET 83 1HB MET 83 13.646 1.007 -2.284 598 1HG MET 83 2HG MET 83 11.673 1.566 -1.139 599 2HG MET 83 1HG MET 83 10.710 0.432 -2.084 600 1HE MET 83 1HE MET 83 10.197 -2.070 0.432 601 2HE MET 83 2HE MET 83 10.548 -2.377 -1.268 602 3HE MET 83 3HE MET 83 9.620 -0.952 -0.803 603 H ASN 84 H ASN 84 12.604 3.511 -5.310 604 HA ASN 84 HA ASN 84 15.377 2.926 -6.104 605 1HB ASN 84 2HB ASN 84 13.251 3.580 -7.681 606 2HB ASN 84 1HB ASN 84 13.981 5.162 -7.425 607 1HD2 ASN 84 1HD2 ASN 84 13.795 3.582 -9.856 608 2HD2 ASN 84 2HD2 ASN 84 15.417 3.340 -10.400 609 H SER 85 H SER 85 16.718 4.965 -6.498 610 HA SER 85 HA SER 85 17.907 6.656 -5.543 611 1HB SER 85 2HB SER 85 15.131 7.516 -5.695 612 2HB SER 85 1HB SER 85 15.999 8.327 -4.390 613 HG SER 85 HG SER 85 16.213 8.660 -7.076 614 H LEU 86 H LEU 86 18.063 4.566 -3.949 615 HA LEU 86 HA LEU 86 17.076 4.990 -1.311 616 1HB LEU 86 2HB LEU 86 19.404 3.254 -2.117 617 2HB LEU 86 1HB LEU 86 18.406 3.096 -0.682 618 HG LEU 86 HG LEU 86 16.597 2.907 -2.786 619 1HD1 LEU 86 1HD1 LEU 86 18.014 0.779 -3.778 620 2HD1 LEU 86 2HD1 LEU 86 19.241 2.040 -3.643 621 3HD1 LEU 86 3HD1 LEU 86 17.778 2.329 -4.586 622 1HD2 LEU 86 1HD2 LEU 86 17.229 1.536 -0.523 623 2HD2 LEU 86 2HD2 LEU 86 17.653 0.369 -1.775 624 3HD2 LEU 86 3HD2 LEU 86 16.020 1.031 -1.704 625 H LYS 87 H LYS 87 18.635 5.055 0.583 626 HA LYS 87 HA LYS 87 21.121 6.439 0.224 627 1HB LYS 87 2HB LYS 87 20.316 8.423 1.636 628 2HB LYS 87 1HB LYS 87 19.851 8.399 -0.059 629 1HG LYS 87 2HG LYS 87 17.793 7.065 1.269 630 2HG LYS 87 1HG LYS 87 18.198 8.438 2.299 631 1HD LYS 87 2HD LYS 87 17.906 9.964 0.443 632 2HD LYS 87 1HD LYS 87 17.622 8.615 -0.658 633 1HE LYS 87 2HE LYS 87 15.833 8.399 1.555 634 2HE LYS 87 1HE LYS 87 15.739 10.034 0.902 635 1HZ LYS 87 1HZ LYS 87 14.170 8.624 -0.217 636 2HZ LYS 87 2HZ LYS 87 15.375 7.506 -0.614 637 3HZ LYS 87 3HZ LYS 87 15.390 9.048 -1.309 638 H SER 88 H SER 88 18.483 5.832 2.517 639 HA SER 88 HA SER 88 19.999 4.175 4.211 640 1HB SER 88 2HB SER 88 20.528 6.915 4.607 641 2HB SER 88 1HB SER 88 19.461 6.437 5.928 642 HG SER 88 HG SER 88 21.941 5.266 5.199 643 H GLU 89 H GLU 89 17.435 6.608 4.151 644 HA GLU 89 HA GLU 89 15.816 5.525 6.152 645 1HB GLU 89 2HB GLU 89 14.226 7.071 5.502 646 2HB GLU 89 1HB GLU 89 15.701 7.802 4.899 647 1HG GLU 89 2HG GLU 89 15.227 7.077 2.668 648 2HG GLU 89 1HG GLU 89 13.843 6.136 3.219 649 H ASP 90 H ASP 90 16.471 4.396 3.008 650 HA ASP 90 HA ASP 90 14.017 2.993 2.563 651 1HB ASP 90 2HB ASP 90 16.632 2.223 1.300 652 2HB ASP 90 1HB ASP 90 15.011 2.155 0.617 653 H THR 91 H THR 91 17.081 2.280 4.086 654 HA THR 91 HA THR 91 16.846 -0.523 4.256 655 HB THR 91 HB THR 91 18.203 1.141 6.361 656 HG1 THR 91 1HG THR 91 20.041 0.803 4.690 657 1HG2 THR 91 1HG2 THR 91 18.394 -1.627 5.322 658 2HG2 THR 91 2HG2 THR 91 18.580 -1.018 6.966 659 3HG2 THR 91 3HG2 THR 91 19.898 -0.844 5.808 660 H ALA 92 H ALA 92 14.779 -1.124 4.916 661 HA ALA 92 HA ALA 92 14.349 -1.303 7.709 662 1HB ALA 92 1HB ALA 92 12.477 0.123 8.031 663 2HB ALA 92 2HB ALA 92 12.391 0.508 6.313 664 3HB ALA 92 3HB ALA 92 13.740 1.099 7.283 665 H VAL 93 H VAL 93 11.634 -1.634 7.843 666 HA VAL 93 HA VAL 93 11.216 -3.937 6.063 667 HB VAL 93 HB VAL 93 9.834 -3.353 8.689 668 1HG1 VAL 93 1HG1 VAL 93 9.383 -5.858 8.494 669 2HG1 VAL 93 2HG1 VAL 93 9.858 -5.693 6.803 670 3HG1 VAL 93 3HG1 VAL 93 8.473 -4.790 7.424 671 1HG2 VAL 93 1HG2 VAL 93 11.318 -4.872 9.751 672 2HG2 VAL 93 2HG2 VAL 93 12.327 -3.739 8.851 673 3HG2 VAL 93 3HG2 VAL 93 12.035 -5.358 8.213 674 H TYR 94 H TYR 94 9.636 -3.854 4.580 675 HA TYR 94 HA TYR 94 7.702 -1.647 4.774 676 1HB TYR 94 2HB TYR 94 8.752 -3.132 2.362 677 2HB TYR 94 1HB TYR 94 7.462 -1.934 2.297 678 HD1 TYR 94 1HD TYR 94 8.011 0.282 1.908 679 HD2 TYR 94 2HD TYR 94 10.982 -2.326 3.472 680 HE1 TYR 94 1HE TYR 94 9.677 2.082 1.732 681 HE2 TYR 94 2HE TYR 94 12.657 -0.534 3.300 682 HH TYR 94 HH TYR 94 12.877 1.637 1.775 683 H TYR 95 H TYR 95 5.563 -1.979 4.672 684 HA TYR 95 HA TYR 95 4.603 -4.743 4.326 685 1HB TYR 95 2HB TYR 95 3.180 -2.781 6.103 686 2HB TYR 95 1HB TYR 95 3.080 -4.536 6.093 687 HD1 TYR 95 1HD TYR 95 4.368 -5.804 7.568 688 HD2 TYR 95 2HD TYR 95 5.342 -1.710 6.950 689 HE1 TYR 95 1HE TYR 95 5.970 -5.912 9.431 690 HE2 TYR 95 2HE TYR 95 6.950 -1.807 8.808 691 HH TYR 95 HH TYR 95 8.345 -3.793 9.936 692 H CYS 96 H CYS 96 2.251 -4.817 3.755 693 HA CYS 96 HA CYS 96 1.409 -2.478 2.197 694 1HB CYS 96 2HB CYS 96 1.333 -3.612 0.261 695 2HB CYS 96 1HB CYS 96 2.300 -4.848 1.056 696 H ALA 97 H ALA 97 -0.784 -2.070 2.201 697 HA ALA 97 HA ALA 97 -2.658 -3.950 3.288 698 1HB ALA 97 1HB ALA 97 -1.397 -1.985 5.043 699 2HB ALA 97 2HB ALA 97 -2.283 -3.465 5.431 700 3HB ALA 97 3HB ALA 97 -3.164 -1.975 5.093 701 H LYS 98 H LYS 98 -4.839 -3.018 3.546 702 HA LYS 98 HA LYS 98 -5.386 -1.229 1.325 703 1HB LYS 98 2HB LYS 98 -6.919 -2.923 1.215 704 2HB LYS 98 1HB LYS 98 -6.931 -3.174 2.953 705 1HG LYS 98 2HG LYS 98 -8.067 -0.629 2.445 706 2HG LYS 98 1HG LYS 98 -8.809 -1.787 1.340 707 1HD LYS 98 2HD LYS 98 -8.654 -1.975 4.344 708 2HD LYS 98 1HD LYS 98 -10.098 -1.705 3.371 709 1HE LYS 98 2HE LYS 98 -8.402 -4.172 3.092 710 2HE LYS 98 1HE LYS 98 -9.715 -4.059 4.265 711 1HZ LYS 98 1HZ LYS 98 -10.113 -3.545 1.375 712 2HZ LYS 98 2HZ LYS 98 -11.294 -3.806 2.557 713 3HZ LYS 98 3HZ LYS 98 -10.299 -5.079 2.063 714 H TYR 99 H TYR 99 -6.308 0.783 1.482 715 HA TYR 99 HA TYR 99 -5.987 2.127 4.021 716 1HB TYR 99 2HB TYR 99 -5.887 2.871 1.287 717 2HB TYR 99 1HB TYR 99 -7.179 3.808 2.029 718 HD1 TYR 99 1HD TYR 99 -6.588 5.866 2.864 719 HD2 TYR 99 2HD TYR 99 -3.675 2.766 2.849 720 HE1 TYR 99 1HE TYR 99 -4.927 7.432 3.779 721 HE2 TYR 99 2HE TYR 99 -2.007 4.322 3.766 722 HH TYR 99 HH TYR 99 -1.900 7.197 3.624 723 H SER 100 H SER 100 -7.725 3.804 4.597 724 HA SER 100 HA SER 100 -10.448 2.990 4.031 725 1HB SER 100 2HB SER 100 -9.067 2.275 6.527 726 2HB SER 100 1HB SER 100 -10.613 3.089 6.767 727 HG SER 100 HG SER 100 -10.356 0.602 6.333 728 H GLY 101 H GLY 101 -8.355 4.988 6.097 729 1HA GLY 101 2HA GLY 101 -10.201 7.239 5.593 730 2HA GLY 101 1HA GLY 101 -9.490 6.965 7.175 731 H GLY 102 H GLY 102 -7.195 7.242 7.427 732 1HA GLY 102 2HA GLY 102 -5.883 8.721 5.249 733 2HA GLY 102 1HA GLY 102 -5.992 9.460 6.839 734 H ALA 103 H ALA 103 -5.719 6.350 7.595 735 HA ALA 103 HA ALA 103 -2.784 6.281 7.379 736 1HB ALA 103 1HB ALA 103 -4.130 6.834 9.722 737 2HB ALA 103 2HB ALA 103 -2.468 6.262 9.589 738 3HB ALA 103 3HB ALA 103 -3.778 5.111 9.848 739 H LEU 104 H LEU 104 -1.852 4.128 7.613 740 HA LEU 104 HA LEU 104 -3.680 2.097 6.565 741 1HB LEU 104 2HB LEU 104 -1.428 2.767 5.457 742 2HB LEU 104 1HB LEU 104 -0.700 1.776 6.708 743 HG LEU 104 HG LEU 104 -1.748 -0.199 5.900 744 1HD1 LEU 104 1HD1 LEU 104 -3.550 1.716 4.563 745 2HD1 LEU 104 2HD1 LEU 104 -3.898 0.159 5.316 746 3HD1 LEU 104 3HD1 LEU 104 -3.197 0.221 3.699 747 1HD2 LEU 104 1HD2 LEU 104 -0.296 1.508 4.033 748 2HD2 LEU 104 2HD2 LEU 104 -1.277 0.274 3.243 749 3HD2 LEU 104 3HD2 LEU 104 -0.063 -0.194 4.434 750 H ASP 105 H ASP 105 -3.611 -0.072 7.341 751 HA ASP 105 HA ASP 105 -3.125 -0.183 10.224 752 1HB ASP 105 2HB ASP 105 -5.302 -0.926 8.760 753 2HB ASP 105 1HB ASP 105 -4.459 -2.462 8.920 754 H ALA 106 H ALA 106 -2.255 -1.771 7.215 755 HA ALA 106 HA ALA 106 -0.541 -3.153 6.654 756 1HB ALA 106 1HB ALA 106 0.896 -1.652 7.861 757 2HB ALA 106 2HB ALA 106 1.403 -3.314 8.164 758 3HB ALA 106 3HB ALA 106 0.490 -2.433 9.390 759 H TRP 107 H TRP 107 -1.147 -5.190 6.376 760 HA TRP 107 HA TRP 107 -1.329 -6.930 8.736 761 1HB TRP 107 2HB TRP 107 -3.112 -7.437 6.387 762 2HB TRP 107 1HB TRP 107 -3.310 -7.944 8.061 763 HD1 TRP 107 HD TRP 107 -3.646 -5.557 9.745 764 HE1 TRP 107 1HE TRP 107 -5.408 -3.729 9.334 765 HE3 TRP 107 3HE TRP 107 -4.499 -6.376 4.786 766 HZ2 TRP 107 2HZ TRP 107 -6.955 -2.757 7.177 767 HZ3 TRP 107 3HZ TRP 107 -6.131 -4.957 3.615 768 HH2 TRP 107 HH TRP 107 -7.332 -3.188 4.788 769 H GLY 108 H GLY 108 0.240 -6.276 5.982 770 1HA GLY 108 2HA GLY 108 0.603 -9.051 5.126 771 2HA GLY 108 1HA GLY 108 1.185 -7.625 4.283 772 H GLN 109 H GLN 109 2.582 -10.106 5.064 773 HA GLN 109 HA GLN 109 4.278 -9.796 7.227 774 1HB GLN 109 2HB GLN 109 4.478 -11.235 4.621 775 2HB GLN 109 1HB GLN 109 5.929 -11.082 5.604 776 1HG GLN 109 2HG GLN 109 3.702 -11.922 7.215 777 2HG GLN 109 1HG GLN 109 3.915 -12.995 5.831 778 1HE2 GLN 109 1HE2 GLN 109 4.287 -14.096 8.201 779 2HE2 GLN 109 2HE2 GLN 109 5.962 -14.357 8.534 780 H GLY 110 H GLY 110 6.035 -8.613 7.647 781 1HA GLY 110 2HA GLY 110 6.604 -6.378 5.954 782 2HA GLY 110 1HA GLY 110 7.398 -6.762 7.471 783 H THR 111 H THR 111 7.813 -6.488 4.191 784 HA THR 111 HA THR 111 9.729 -8.554 3.747 785 HB THR 111 HB THR 111 8.593 -7.577 1.840 786 HG1 THR 111 1HG THR 111 10.929 -8.228 1.758 787 1HG2 THR 111 1HG2 THR 111 9.452 -5.193 1.168 788 2HG2 THR 111 2HG2 THR 111 9.722 -5.023 2.905 789 3HG2 THR 111 3HG2 THR 111 8.103 -5.367 2.294 790 H GLN 112 H GLN 112 11.838 -8.598 4.231 791 HA GLN 112 HA GLN 112 12.956 -6.410 5.749 792 1HB GLN 112 2HB GLN 112 13.249 -8.840 6.343 793 2HB GLN 112 1HB GLN 112 14.301 -8.989 4.942 794 1HG GLN 112 2HG GLN 112 15.643 -8.721 6.902 795 2HG GLN 112 1HG GLN 112 15.778 -7.267 5.916 796 1HE2 GLN 112 1HE2 GLN 112 15.214 -5.349 6.762 797 2HE2 GLN 112 2HE2 GLN 112 14.581 -5.126 8.354 798 H VAL 113 H VAL 113 13.415 -4.721 4.431 799 HA VAL 113 HA VAL 113 15.149 -5.214 2.106 800 HB VAL 113 HB VAL 113 13.600 -2.711 2.800 801 1HG1 VAL 113 1HG1 VAL 113 14.283 -1.812 0.762 802 2HG1 VAL 113 2HG1 VAL 113 14.800 -3.378 0.135 803 3HG1 VAL 113 3HG1 VAL 113 15.746 -2.573 1.387 804 1HG2 VAL 113 1HG2 VAL 113 12.132 -4.608 2.258 805 2HG2 VAL 113 2HG2 VAL 113 12.994 -4.828 0.735 806 3HG2 VAL 113 3HG2 VAL 113 12.072 -3.353 1.021 807 H THR 114 H THR 114 17.234 -4.722 2.233 808 HA THR 114 HA THR 114 18.102 -2.782 4.275 809 HB THR 114 HB THR 114 20.197 -4.642 3.616 810 HG1 THR 114 1HG THR 114 18.194 -5.969 3.312 811 1HG2 THR 114 1HG2 THR 114 19.082 -4.823 6.292 812 2HG2 THR 114 2HG2 THR 114 19.326 -3.153 5.782 813 3HG2 THR 114 3HG2 THR 114 20.678 -4.284 5.770 814 H VAL 115 H VAL 115 20.171 -1.743 3.840 815 HA VAL 115 HA VAL 115 20.853 -1.582 0.982 816 HB VAL 115 HB VAL 115 20.688 0.802 2.815 817 1HG1 VAL 115 1HG1 VAL 115 22.328 0.831 0.898 818 2HG1 VAL 115 2HG1 VAL 115 21.142 2.137 0.924 819 3HG1 VAL 115 3HG1 VAL 115 20.931 0.776 -0.179 820 1HG2 VAL 115 1HG2 VAL 115 18.788 1.318 1.014 821 2HG2 VAL 115 2HG2 VAL 115 18.458 0.474 2.530 822 3HG2 VAL 115 3HG2 VAL 115 18.675 -0.444 1.039 823 H SER 116 H SER 116 22.780 -2.563 1.044 824 HA SER 116 HA SER 116 24.823 -1.463 2.856 825 1HB SER 116 2HB SER 116 25.821 -3.618 3.091 826 2HB SER 116 1HB SER 116 24.095 -3.848 3.355 827 HG SER 116 HG SER 116 25.688 -4.612 1.179 828 H SER 117 H SER 117 27.077 -1.774 2.009 829 HA SER 117 HA SER 117 27.135 -0.943 -0.776 830 1HB SER 117 2HB SER 117 29.567 -0.495 -0.279 831 2HB SER 117 1HB SER 117 28.431 0.407 0.726 832 HG SER 117 HG SER 117 30.327 -0.817 1.718 833 H GLN 118 H GLN 118 27.470 -3.793 0.960 834 HA GLN 118 HA GLN 118 28.490 -5.814 0.599 835 1HB GLN 118 2HB GLN 118 27.811 -6.822 -1.526 836 2HB GLN 118 1HB GLN 118 26.498 -5.913 -0.794 837 1HG GLN 118 2HG GLN 118 27.536 -4.018 -2.386 838 2HG GLN 118 1HG GLN 118 27.949 -5.458 -3.313 839 1HE2 GLN 118 1HE2 GLN 118 25.145 -4.943 -1.249 840 2HE2 GLN 118 2HE2 GLN 118 23.965 -5.074 -2.504 841 H SER 119 H SER 119 29.464 -6.764 -2.014 842 HA SER 119 HA SER 119 31.895 -5.183 -2.391 843 1HB SER 119 2HB SER 119 32.808 -7.824 -2.411 844 2HB SER 119 1HB SER 119 33.119 -6.615 -1.167 845 HG SER 119 HG SER 119 32.201 -8.505 -0.284 846 H GLU 120 H GLU 120 29.537 -5.670 -4.027 847 HA GLU 120 HA GLU 120 30.297 -7.532 -6.087 848 1HB GLU 120 2HB GLU 120 28.088 -5.479 -5.923 849 2HB GLU 120 1HB GLU 120 28.310 -6.566 -7.287 850 1HG GLU 120 2HG GLU 120 28.267 -8.006 -4.784 851 2HG GLU 120 1HG GLU 120 26.813 -7.032 -5.001 852 H GLN 121 H GLN 121 30.122 -6.628 -8.447 853 HA GLN 121 HA GLN 121 31.261 -4.006 -8.826 854 1HB GLN 121 2HB GLN 121 33.053 -6.050 -8.366 855 2HB GLN 121 1HB GLN 121 32.983 -5.982 -10.121 856 1HG GLN 121 2HG GLN 121 33.403 -3.517 -8.478 857 2HG GLN 121 1HG GLN 121 34.743 -4.571 -8.924 858 1HE2 GLN 121 1HE2 GLN 121 35.377 -4.702 -11.070 859 2HE2 GLN 121 2HE2 GLN 121 34.871 -3.551 -12.256 860 H LYS 122 H LYS 122 30.159 -7.063 -10.106 861 HA LYS 122 HA LYS 122 29.664 -5.768 -12.707 862 1HB LYS 122 2HB LYS 122 31.101 -8.013 -12.313 863 2HB LYS 122 1HB LYS 122 29.500 -8.718 -12.490 864 1HG LYS 122 2HG LYS 122 29.398 -7.187 -14.613 865 2HG LYS 122 1HG LYS 122 31.156 -7.247 -14.476 866 1HD LYS 122 2HD LYS 122 31.236 -9.350 -15.230 867 2HD LYS 122 1HD LYS 122 29.928 -9.863 -14.161 868 1HE LYS 122 2HE LYS 122 28.482 -9.860 -15.849 869 2HE LYS 122 1HE LYS 122 28.883 -8.188 -16.239 870 1HZ LYS 122 1HZ LYS 122 30.976 -9.822 -17.124 871 2HZ LYS 122 2HZ LYS 122 29.905 -8.900 -18.053 872 3HZ LYS 122 3HZ LYS 122 29.528 -10.503 -17.672 873 H LEU 123 H LEU 123 27.694 -6.481 -13.845 874 HA LEU 123 HA LEU 123 25.590 -7.751 -12.398 875 1HB LEU 123 2HB LEU 123 25.930 -5.026 -11.882 876 2HB LEU 123 1HB LEU 123 24.592 -5.106 -13.013 877 HG LEU 123 HG LEU 123 24.689 -6.723 -10.473 878 1HD1 LEU 123 1HD1 LEU 123 23.446 -5.078 -9.363 879 2HD1 LEU 123 2HD1 LEU 123 23.123 -4.192 -10.854 880 3HD1 LEU 123 3HD1 LEU 123 24.745 -4.192 -10.162 881 1HD2 LEU 123 1HD2 LEU 123 22.086 -6.348 -11.092 882 2HD2 LEU 123 2HD2 LEU 123 23.032 -7.749 -11.599 883 3HD2 LEU 123 3HD2 LEU 123 22.800 -6.393 -12.703 884 H ILE 124 H ILE 124 26.080 -8.834 -14.513 885 HA ILE 124 HA ILE 124 25.540 -9.383 -16.656 886 HB ILE 124 HB ILE 124 23.033 -7.789 -16.118 887 1HG1 ILE 124 2HG1 ILE 124 23.595 -10.702 -15.518 888 2HG1 ILE 124 1HG1 ILE 124 23.547 -9.421 -14.311 889 1HG2 ILE 124 1HG2 ILE 124 22.241 -8.586 -18.040 890 2HG2 ILE 124 2HG2 ILE 124 22.763 -10.225 -17.655 891 3HG2 ILE 124 3HG2 ILE 124 23.887 -9.097 -18.414 892 1HD1 ILE 124 1HD1 ILE 124 21.139 -9.341 -15.827 893 2HD1 ILE 124 2HD1 ILE 124 21.364 -9.673 -14.110 894 3HD1 ILE 124 3HD1 ILE 124 21.424 -10.993 -15.278 895 H SER 125 H SER 125 23.586 -6.529 -17.065 896 HA SER 125 HA SER 125 23.719 -4.772 -18.496 897 1HB SER 125 2HB SER 125 25.466 -3.368 -18.107 898 2HB SER 125 1HB SER 125 25.850 -4.540 -16.848 899 HG SER 125 HG SER 125 27.379 -5.441 -18.149 900 H GLU 126 H GLU 126 24.378 -7.655 -19.410 901 HA GLU 126 HA GLU 126 24.764 -6.960 -22.169 902 1HB GLU 126 2HB GLU 126 27.010 -7.900 -20.562 903 2HB GLU 126 1HB GLU 126 26.708 -8.919 -21.963 904 1HG GLU 126 2HG GLU 126 26.544 -6.352 -22.970 905 2HG GLU 126 1HG GLU 126 27.867 -6.272 -21.807 906 H GLU 127 H GLU 127 22.995 -8.454 -20.181 907 HA GLU 127 HA GLU 127 21.649 -10.285 -20.144 908 1HB GLU 127 2HB GLU 127 22.360 -10.102 -23.058 909 2HB GLU 127 1HB GLU 127 21.315 -11.384 -22.461 910 1HG GLU 127 2HG GLU 127 19.807 -9.651 -21.533 911 2HG GLU 127 1HG GLU 127 20.820 -8.422 -22.287 912 H ASP 128 H ASP 128 24.526 -10.616 -19.607 913 HA ASP 128 HA ASP 128 26.005 -12.268 -19.117 914 1HB ASP 128 2HB ASP 128 23.450 -13.372 -18.732 915 2HB ASP 128 1HB ASP 128 24.368 -14.597 -19.603 916 H LEU 129 H LEU 129 26.754 -14.593 -20.011 917 HA LEU 129 HA LEU 129 26.994 -14.240 -22.924 918 1HB LEU 129 2HB LEU 129 28.886 -15.461 -20.917 919 2HB LEU 129 1HB LEU 129 29.105 -15.593 -22.653 920 HG LEU 129 HG LEU 129 28.858 -12.897 -21.366 921 1HD1 LEU 129 1HD1 LEU 129 30.603 -14.178 -20.151 922 2HD1 LEU 129 2HD1 LEU 129 31.232 -12.792 -21.041 923 3HD1 LEU 129 3HD1 LEU 129 31.437 -14.420 -21.686 924 1HD2 LEU 129 1HD2 LEU 129 30.214 -13.931 -23.852 925 2HD2 LEU 129 2HD2 LEU 129 30.264 -12.259 -23.291 926 3HD2 LEU 129 3HD2 LEU 129 28.730 -12.982 -23.775 927 H ASN 130 H ASN 130 25.796 -15.620 -24.037 928 HA ASN 130 HA ASN 130 25.297 -18.294 -22.920 929 1HB ASN 130 2HB ASN 130 23.728 -16.486 -24.708 930 2HB ASN 130 1HB ASN 130 23.509 -18.226 -24.867 931 1HD2 ASN 130 1HD2 ASN 130 22.134 -19.189 -23.550 932 2HD2 ASN 130 2HD2 ASN 130 21.457 -18.497 -22.119 933 H HIS 131 H HIS 131 25.566 -20.139 -24.179 934 HA HIS 131 HA HIS 131 27.236 -19.760 -26.576 935 1HB HIS 131 2HB HIS 131 27.703 -21.275 -24.213 936 2HB HIS 131 1HB HIS 131 27.487 -22.411 -25.542 937 HD1 HIS 131 1HD HIS 131 29.727 -19.635 -24.370 938 HD2 HIS 131 2HD HIS 131 29.549 -22.471 -27.403 939 HE1 HIS 131 1HE HIS 131 31.986 -19.583 -25.474 940 HE2 HIS 131 2HE HIS 131 31.837 -21.264 -27.344 941 H HIS 132 H HIS 132 27.189 -22.352 -27.535 942 HA HIS 132 HA HIS 132 24.350 -22.913 -28.033 943 1HB HIS 132 2HB HIS 132 26.460 -22.206 -30.014 944 2HB HIS 132 1HB HIS 132 25.282 -23.432 -30.472 945 HD1 HIS 132 1HD HIS 132 25.429 -19.819 -29.350 946 HD2 HIS 132 2HD HIS 132 22.863 -22.451 -31.288 947 HE1 HIS 132 1HE HIS 132 23.522 -18.408 -30.183 948 HE2 HIS 132 2HE HIS 132 21.933 -20.038 -31.263 949 H HIS 133 H HIS 133 23.907 -25.059 -28.798 950 HA HIS 133 HA HIS 133 25.955 -26.982 -27.940 951 1HB HIS 133 2HB HIS 133 23.824 -27.082 -26.716 952 2HB HIS 133 1HB HIS 133 22.965 -27.347 -28.229 953 HD1 HIS 133 1HD HIS 133 26.163 -29.096 -27.231 954 HD2 HIS 133 2HD HIS 133 22.125 -29.917 -27.767 955 HE1 HIS 133 1HE HIS 133 25.956 -31.597 -27.056 956 HE2 HIS 133 2HE HIS 133 23.492 -32.063 -27.305 957 H HIS 134 H HIS 134 23.254 -26.936 -30.276 958 HA HIS 134 HA HIS 134 25.059 -27.840 -32.378 959 1HB HIS 134 2HB HIS 134 23.211 -29.589 -31.002 960 2HB HIS 134 1HB HIS 134 22.793 -29.464 -32.707 961 HD1 HIS 134 1HD HIS 134 26.388 -29.160 -31.953 962 HD2 HIS 134 2HD HIS 134 23.701 -32.177 -32.921 963 HE1 HIS 134 1HE HIS 134 27.802 -31.133 -32.610 964 HE2 HIS 134 2HE HIS 134 26.154 -32.919 -33.274 965 H HIS 135 H HIS 135 23.540 -28.249 -34.448 966 HA HIS 135 HA HIS 135 21.771 -25.898 -34.617 967 1HB HIS 135 2HB HIS 135 22.404 -26.210 -37.180 968 2HB HIS 135 1HB HIS 135 23.423 -25.284 -36.084 969 HD1 HIS 135 1HD HIS 135 23.327 -29.060 -36.355 970 HD2 HIS 135 2HD HIS 135 25.874 -25.874 -37.139 971 HE1 HIS 135 1HE HIS 135 25.529 -30.099 -36.983 972 HE2 HIS 135 2HE HIS 135 27.053 -28.152 -37.467 Start of MODEL 8 1 1H ASP 1 1HT ASP 1 -10.798 -8.143 10.111 2 2H ASP 1 2HT ASP 1 -9.577 -7.618 9.065 3 3H ASP 1 3HT ASP 1 -9.498 -9.163 9.746 4 HA ASP 1 HA ASP 1 -11.488 -9.825 8.549 5 1HB ASP 1 2HB ASP 1 -11.539 -6.949 8.102 6 2HB ASP 1 1HB ASP 1 -11.734 -7.848 6.599 7 H VAL 2 H VAL 2 -9.766 -7.600 6.410 8 HA VAL 2 HA VAL 2 -8.835 -9.848 4.831 9 HB VAL 2 HB VAL 2 -8.070 -8.175 3.220 10 1HG1 VAL 2 1HG1 VAL 2 -10.262 -8.734 2.780 11 2HG1 VAL 2 2HG1 VAL 2 -10.365 -6.981 2.945 12 3HG1 VAL 2 3HG1 VAL 2 -10.856 -8.024 4.281 13 1HG2 VAL 2 1HG2 VAL 2 -7.329 -6.431 4.710 14 2HG2 VAL 2 2HG2 VAL 2 -8.978 -6.170 5.280 15 3HG2 VAL 2 3HG2 VAL 2 -8.547 -5.781 3.614 16 H GLN 3 H GLN 3 -6.799 -10.599 4.737 17 HA GLN 3 HA GLN 3 -4.708 -9.087 6.157 18 1HB GLN 3 2HB GLN 3 -5.733 -11.573 6.897 19 2HB GLN 3 1HB GLN 3 -4.216 -11.947 6.088 20 1HG GLN 3 2HG GLN 3 -3.911 -9.724 7.901 21 2HG GLN 3 1HG GLN 3 -4.560 -11.144 8.723 22 1HE2 GLN 3 1HE2 GLN 3 -1.841 -9.750 7.132 23 2HE2 GLN 3 2HE2 GLN 3 -0.716 -11.017 7.472 24 H LEU 4 H LEU 4 -2.659 -9.072 5.252 25 HA LEU 4 HA LEU 4 -2.397 -10.379 2.628 26 1HB LEU 4 2HB LEU 4 -0.986 -7.835 2.845 27 2HB LEU 4 1HB LEU 4 -2.003 -8.447 1.554 28 HG LEU 4 HG LEU 4 -3.158 -7.315 4.094 29 1HD1 LEU 4 1HD1 LEU 4 -1.623 -5.739 2.710 30 2HD1 LEU 4 2HD1 LEU 4 -3.211 -5.182 3.238 31 3HD1 LEU 4 3HD1 LEU 4 -2.974 -5.727 1.577 32 1HD2 LEU 4 1HD2 LEU 4 -5.161 -7.592 3.143 33 2HD2 LEU 4 2HD2 LEU 4 -4.330 -8.732 2.083 34 3HD2 LEU 4 3HD2 LEU 4 -4.591 -7.068 1.559 35 H GLN 5 H GLN 5 0.039 -10.079 1.884 36 HA GLN 5 HA GLN 5 1.877 -10.366 4.132 37 1HB GLN 5 2HB GLN 5 2.612 -12.431 2.366 38 2HB GLN 5 1HB GLN 5 1.999 -12.590 4.005 39 1HG GLN 5 2HG GLN 5 -0.201 -12.146 2.258 40 2HG GLN 5 1HG GLN 5 0.806 -13.430 1.590 41 1HE2 GLN 5 1HE2 GLN 5 -0.252 -15.239 2.057 42 2HE2 GLN 5 2HE2 GLN 5 -0.779 -15.714 3.632 43 H ALA 6 H ALA 6 3.624 -9.196 3.732 44 HA ALA 6 HA ALA 6 4.247 -8.492 0.955 45 1HB ALA 6 1HB ALA 6 4.407 -7.099 3.493 46 2HB ALA 6 2HB ALA 6 4.376 -6.458 1.850 47 3HB ALA 6 3HB ALA 6 5.901 -6.979 2.565 48 H SER 7 H SER 7 6.281 -8.743 0.071 49 HA SER 7 HA SER 7 8.528 -9.731 1.496 50 1HB SER 7 2HB SER 7 7.060 -11.783 1.410 51 2HB SER 7 1HB SER 7 7.215 -11.739 -0.346 52 HG SER 7 HG SER 7 9.609 -11.578 0.985 53 H GLY 8 H GLY 8 10.164 -10.706 -0.264 54 1HA GLY 8 2HA GLY 8 10.914 -10.551 -2.547 55 2HA GLY 8 1HA GLY 8 9.880 -9.145 -2.745 56 H GLY 9 H GLY 9 10.917 -8.268 0.022 57 1HA GLY 9 2HA GLY 9 12.717 -6.344 -0.787 58 2HA GLY 9 1HA GLY 9 12.592 -6.942 0.861 59 H GLY 10 H GLY 10 14.993 -6.070 -0.222 60 1HA GLY 10 2HA GLY 10 16.651 -8.341 0.281 61 2HA GLY 10 1HA GLY 10 16.647 -7.922 -1.425 62 H LEU 11 H LEU 11 19.015 -7.734 -0.702 63 HA LEU 11 HA LEU 11 19.589 -5.125 0.490 64 1HB LEU 11 2HB LEU 11 21.629 -7.178 -0.317 65 2HB LEU 11 1HB LEU 11 21.795 -5.879 0.849 66 HG LEU 11 HG LEU 11 20.043 -8.310 1.216 67 1HD1 LEU 11 1HD1 LEU 11 22.874 -7.805 1.767 68 2HD1 LEU 11 2HD1 LEU 11 21.996 -9.327 1.627 69 3HD1 LEU 11 3HD1 LEU 11 21.958 -8.423 3.141 70 1HD2 LEU 11 1HD2 LEU 11 20.304 -5.779 2.632 71 2HD2 LEU 11 2HD2 LEU 11 20.521 -7.187 3.673 72 3HD2 LEU 11 3HD2 LEU 11 19.041 -7.008 2.727 73 H VAL 12 H VAL 12 20.176 -3.429 -0.695 74 HA VAL 12 HA VAL 12 20.845 -3.878 -3.532 75 HB VAL 12 HB VAL 12 19.811 -1.880 -4.118 76 1HG1 VAL 12 1HG1 VAL 12 18.358 -3.491 -2.147 77 2HG1 VAL 12 2HG1 VAL 12 17.901 -3.006 -3.780 78 3HG1 VAL 12 3HG1 VAL 12 17.683 -1.887 -2.435 79 1HG2 VAL 12 1HG2 VAL 12 19.311 -0.049 -2.673 80 2HG2 VAL 12 2HG2 VAL 12 20.969 -0.545 -2.327 81 3HG2 VAL 12 3HG2 VAL 12 19.662 -1.009 -1.235 82 H GLN 13 H GLN 13 21.891 -1.595 -4.319 83 HA GLN 13 HA GLN 13 24.302 -1.283 -2.665 84 1HB GLN 13 2HB GLN 13 24.486 -0.208 -5.367 85 2HB GLN 13 1HB GLN 13 25.554 -1.326 -4.532 86 1HG GLN 13 2HG GLN 13 24.783 -3.026 -5.714 87 2HG GLN 13 1HG GLN 13 23.123 -2.661 -5.246 88 1HE2 GLN 13 1HE2 GLN 13 22.080 -2.915 -7.131 89 2HE2 GLN 13 2HE2 GLN 13 22.413 -2.015 -8.568 90 HA PRO 14 HA PRO 14 22.855 2.699 -1.294 91 1HB PRO 14 2HB PRO 14 25.758 3.220 -1.860 92 2HB PRO 14 1HB PRO 14 24.770 3.770 -0.500 93 1HG PRO 14 2HG PRO 14 26.379 1.647 -0.259 94 2HG PRO 14 1HG PRO 14 24.800 1.701 0.537 95 1HD PRO 14 2HD PRO 14 25.692 0.074 -1.751 96 2HD PRO 14 1HD PRO 14 24.318 -0.176 -0.656 97 H GLY 15 H GLY 15 21.560 3.232 -3.071 98 1HA GLY 15 2HA GLY 15 21.278 5.209 -4.472 99 2HA GLY 15 1HA GLY 15 22.902 4.924 -5.084 100 H GLY 16 H GLY 16 21.051 2.091 -4.641 101 1HA GLY 16 2HA GLY 16 20.793 1.833 -7.547 102 2HA GLY 16 1HA GLY 16 20.747 0.517 -6.386 103 H SER 17 H SER 17 18.840 -0.436 -6.679 104 HA SER 17 HA SER 17 16.441 1.002 -6.008 105 1HB SER 17 2HB SER 17 15.603 -0.211 -8.373 106 2HB SER 17 1HB SER 17 15.835 1.517 -8.112 107 HG SER 17 HG SER 17 17.076 0.987 -9.851 108 H LEU 18 H LEU 18 14.581 -0.426 -5.782 109 HA LEU 18 HA LEU 18 15.053 -3.283 -5.936 110 1HB LEU 18 2HB LEU 18 15.812 -2.103 -3.623 111 2HB LEU 18 1HB LEU 18 14.128 -2.431 -3.262 112 HG LEU 18 HG LEU 18 16.296 -4.417 -3.916 113 1HD1 LEU 18 1HD1 LEU 18 16.204 -5.025 -1.747 114 2HD1 LEU 18 2HD1 LEU 18 14.473 -4.710 -1.618 115 3HD1 LEU 18 3HD1 LEU 18 15.622 -3.374 -1.544 116 1HD2 LEU 18 1HD2 LEU 18 13.312 -4.815 -3.844 117 2HD2 LEU 18 2HD2 LEU 18 14.468 -6.133 -3.648 118 3HD2 LEU 18 3HD2 LEU 18 14.432 -5.209 -5.150 119 H ARG 19 H ARG 19 13.244 -4.236 -6.576 120 HA ARG 19 HA ARG 19 10.698 -2.829 -6.153 121 1HB ARG 19 2HB ARG 19 11.108 -3.190 -8.485 122 2HB ARG 19 1HB ARG 19 11.535 -4.873 -8.212 123 1HG ARG 19 2HG ARG 19 9.205 -5.309 -7.502 124 2HG ARG 19 1HG ARG 19 8.804 -3.640 -7.910 125 1HD ARG 19 2HD ARG 19 8.660 -4.110 -10.085 126 2HD ARG 19 1HD ARG 19 10.184 -4.995 -10.072 127 HE ARG 19 HE ARG 19 7.559 -6.151 -9.395 128 1HH1 ARG 19 1HH1 ARG 19 10.840 -6.459 -10.523 129 2HH1 ARG 19 2HH1 ARG 19 10.676 -8.131 -10.943 130 1HH2 ARG 19 1HH2 ARG 19 7.329 -8.350 -9.946 131 2HH2 ARG 19 2HH2 ARG 19 8.678 -9.207 -10.615 132 H VAL 20 H VAL 20 9.363 -3.609 -4.680 133 HA VAL 20 HA VAL 20 9.620 -6.448 -3.933 134 HB VAL 20 HB VAL 20 9.084 -5.942 -1.695 135 1HG1 VAL 20 1HG1 VAL 20 10.811 -3.622 -2.514 136 2HG1 VAL 20 2HG1 VAL 20 11.381 -5.291 -2.503 137 3HG1 VAL 20 3HG1 VAL 20 10.848 -4.530 -1.004 138 1HG2 VAL 20 1HG2 VAL 20 7.255 -4.424 -1.976 139 2HG2 VAL 20 2HG2 VAL 20 8.311 -3.196 -2.673 140 3HG2 VAL 20 3HG2 VAL 20 8.464 -3.629 -0.970 141 H SER 21 H SER 21 7.598 -7.444 -3.095 142 HA SER 21 HA SER 21 5.164 -6.218 -4.172 143 1HB SER 21 2HB SER 21 4.501 -8.197 -5.340 144 2HB SER 21 1HB SER 21 6.155 -7.843 -5.838 145 HG SER 21 HG SER 21 6.743 -9.686 -5.040 146 H CYS 22 H CYS 22 3.184 -7.237 -3.395 147 HA CYS 22 HA CYS 22 3.503 -8.697 -0.868 148 1HB CYS 22 2HB CYS 22 3.169 -6.314 -0.346 149 2HB CYS 22 1HB CYS 22 1.691 -6.313 -1.301 150 H ALA 23 H ALA 23 2.504 -10.574 -1.127 151 HA ALA 23 HA ALA 23 0.396 -10.873 -3.073 152 1HB ALA 23 1HB ALA 23 0.491 -13.301 -2.168 153 2HB ALA 23 2HB ALA 23 1.963 -12.755 -1.365 154 3HB ALA 23 3HB ALA 23 1.836 -12.676 -3.122 155 H ALA 24 H ALA 24 -1.372 -9.760 -2.272 156 HA ALA 24 HA ALA 24 -2.455 -10.519 0.332 157 1HB ALA 24 1HB ALA 24 -4.125 -8.734 -0.133 158 2HB ALA 24 2HB ALA 24 -3.304 -8.421 -1.661 159 3HB ALA 24 3HB ALA 24 -2.456 -8.162 -0.137 160 H SER 25 H SER 25 -5.002 -10.683 0.269 161 HA SER 25 HA SER 25 -6.327 -11.703 -1.966 162 1HB SER 25 2HB SER 25 -4.553 -13.604 -0.725 163 2HB SER 25 1HB SER 25 -6.223 -14.142 -0.551 164 HG SER 25 HG SER 25 -5.838 -14.852 -2.516 165 H GLY 26 H GLY 26 -8.338 -11.123 -1.443 166 1HA GLY 26 2HA GLY 26 -10.137 -12.175 0.109 167 2HA GLY 26 1HA GLY 26 -9.185 -11.393 1.357 168 H PHE 27 H PHE 27 -9.009 -9.396 -1.290 169 HA PHE 27 HA PHE 27 -11.587 -8.148 -0.945 170 1HB PHE 27 2HB PHE 27 -10.965 -6.193 0.132 171 2HB PHE 27 1HB PHE 27 -10.033 -7.412 0.983 172 HD1 PHE 27 1HD PHE 27 -7.751 -7.808 -0.876 173 HD2 PHE 27 2HD PHE 27 -9.759 -4.259 0.348 174 HE1 PHE 27 1HE PHE 27 -5.710 -6.503 -1.308 175 HE2 PHE 27 2HE PHE 27 -7.726 -2.952 -0.086 176 HZ PHE 27 HZ PHE 27 -5.702 -4.069 -0.923 177 H THR 28 H THR 28 -8.534 -8.366 -2.565 178 HA THR 28 HA THR 28 -7.860 -7.764 -4.656 179 HB THR 28 HB THR 28 -10.734 -7.120 -5.302 180 HG1 THR 28 1HG THR 28 -11.187 -9.153 -4.978 181 1HG2 THR 28 1HG2 THR 28 -9.920 -8.261 -7.488 182 2HG2 THR 28 2HG2 THR 28 -8.305 -7.920 -6.866 183 3HG2 THR 28 3HG2 THR 28 -9.437 -6.597 -7.159 184 H PHE 29 H PHE 29 -7.610 -5.919 -6.148 185 HA PHE 29 HA PHE 29 -8.011 -3.383 -4.717 186 1HB PHE 29 2HB PHE 29 -6.180 -3.573 -7.061 187 2HB PHE 29 1HB PHE 29 -6.043 -2.592 -5.608 188 HD1 PHE 29 1HD PHE 29 -5.898 -4.201 -3.391 189 HD2 PHE 29 2HD PHE 29 -4.547 -5.129 -7.317 190 HE1 PHE 29 1HE PHE 29 -4.297 -5.815 -2.453 191 HE2 PHE 29 2HE PHE 29 -2.944 -6.745 -6.386 192 HZ PHE 29 HZ PHE 29 -2.818 -7.091 -3.951 193 H SER 30 H SER 30 -7.460 -1.713 -6.930 194 HA SER 30 HA SER 30 -8.458 -0.593 -8.628 195 1HB SER 30 2HB SER 30 -8.555 -2.055 -10.335 196 2HB SER 30 1HB SER 30 -8.947 -3.395 -9.259 197 HG SER 30 HG SER 30 -10.543 -2.349 -10.969 198 H SER 31 H SER 31 -10.097 -1.950 -6.085 199 HA SER 31 HA SER 31 -12.404 -0.195 -6.529 200 1HB SER 31 2HB SER 31 -12.461 -3.078 -5.620 201 2HB SER 31 1HB SER 31 -13.801 -1.967 -5.333 202 HG SER 31 HG SER 31 -14.365 -2.713 -7.244 203 H TYR 32 H TYR 32 -10.116 -1.727 -4.429 204 HA TYR 32 HA TYR 32 -11.118 -0.189 -2.131 205 1HB TYR 32 2HB TYR 32 -9.562 -2.734 -2.394 206 2HB TYR 32 1HB TYR 32 -9.355 -1.752 -0.949 207 HD1 TYR 32 1HD TYR 32 -11.659 -1.006 0.176 208 HD2 TYR 32 2HD TYR 32 -11.158 -4.386 -2.357 209 HE1 TYR 32 1HE TYR 32 -13.663 -2.036 1.162 210 HE2 TYR 32 2HE TYR 32 -13.159 -5.424 -1.382 211 HH TYR 32 HH TYR 32 -14.399 -5.136 1.015 212 H HIS 33 H HIS 33 -9.258 0.503 -0.627 213 HA HIS 33 HA HIS 33 -7.254 1.855 -2.288 214 1HB HIS 33 2HB HIS 33 -8.790 2.612 0.060 215 2HB HIS 33 1HB HIS 33 -7.066 2.869 0.307 216 HD1 HIS 33 1HD HIS 33 -5.898 4.627 -1.212 217 HD2 HIS 33 2HD HIS 33 -10.004 4.325 -1.775 218 HE1 HIS 33 1HE HIS 33 -6.542 6.648 -2.563 219 HE2 HIS 33 2HE HIS 33 -9.027 6.427 -2.922 220 H MET 34 H MET 34 -5.130 1.420 -2.101 221 HA MET 34 HA MET 34 -4.269 -0.307 0.126 222 1HB MET 34 2HB MET 34 -3.998 -0.711 -2.782 223 2HB MET 34 1HB MET 34 -2.528 -0.979 -1.854 224 1HG MET 34 2HG MET 34 -5.138 -2.260 -1.124 225 2HG MET 34 1HG MET 34 -4.014 -2.986 -2.273 226 1HE MET 34 1HE MET 34 -1.887 -5.030 -0.328 227 2HE MET 34 2HE MET 34 -2.886 -4.691 -1.741 228 3HE MET 34 3HE MET 34 -3.619 -5.365 -0.285 229 H ALA 35 H ALA 35 -1.810 -0.285 0.350 230 HA ALA 35 HA ALA 35 -0.435 2.032 -0.627 231 1HB ALA 35 1HB ALA 35 -1.934 2.261 1.801 232 2HB ALA 35 2HB ALA 35 -0.995 3.485 0.947 233 3HB ALA 35 3HB ALA 35 -0.212 2.446 2.137 234 H TRP 36 H TRP 36 1.761 2.048 -0.170 235 HA TRP 36 HA TRP 36 2.808 -0.464 0.939 236 1HB TRP 36 2HB TRP 36 3.663 1.347 -1.246 237 2HB TRP 36 1HB TRP 36 4.956 0.676 -0.258 238 HD1 TRP 36 HD TRP 36 2.859 -0.128 -3.181 239 HE1 TRP 36 1HE TRP 36 3.126 -2.599 -3.842 240 HE3 TRP 36 3HE TRP 36 5.262 -1.818 1.001 241 HZ2 TRP 36 2HZ TRP 36 4.223 -4.958 -2.729 242 HZ3 TRP 36 3HZ TRP 36 5.885 -4.195 1.124 243 HH2 TRP 36 HH TRP 36 5.376 -5.732 -0.704 244 H VAL 37 H VAL 37 3.309 -0.229 3.020 245 HA VAL 37 HA VAL 37 4.330 2.351 3.965 246 HB VAL 37 HB VAL 37 3.570 1.805 6.111 247 1HG1 VAL 37 1HG1 VAL 37 1.600 0.468 4.266 248 2HG1 VAL 37 2HG1 VAL 37 1.756 2.210 4.482 249 3HG1 VAL 37 3HG1 VAL 37 1.251 1.195 5.833 250 1HG2 VAL 37 1HG2 VAL 37 4.150 -0.224 6.851 251 2HG2 VAL 37 2HG2 VAL 37 4.049 -0.943 5.243 252 3HG2 VAL 37 3HG2 VAL 37 2.590 -0.744 6.214 253 H ARG 38 H ARG 38 5.933 2.285 5.734 254 HA ARG 38 HA ARG 38 7.803 0.046 5.634 255 1HB ARG 38 2HB ARG 38 8.845 1.324 4.001 256 2HB ARG 38 1HB ARG 38 8.344 2.844 4.722 257 1HG ARG 38 2HG ARG 38 9.953 2.055 6.658 258 2HG ARG 38 1HG ARG 38 10.678 1.123 5.345 259 1HD ARG 38 2HD ARG 38 11.800 3.243 5.505 260 2HD ARG 38 1HD ARG 38 10.846 3.211 4.022 261 HE ARG 38 HE ARG 38 9.158 4.388 5.737 262 1HH1 ARG 38 1HH1 ARG 38 12.523 4.970 5.039 263 2HH1 ARG 38 2HH1 ARG 38 12.437 6.662 5.394 264 1HH2 ARG 38 1HH2 ARG 38 9.037 6.616 6.209 265 2HH2 ARG 38 2HH2 ARG 38 10.456 7.599 6.061 266 H GLN 39 H GLN 39 9.133 -0.116 7.467 267 HA GLN 39 HA GLN 39 8.662 1.823 9.614 268 1HB GLN 39 2HB GLN 39 7.113 0.024 10.044 269 2HB GLN 39 1HB GLN 39 8.379 -1.176 9.819 270 1HG GLN 39 2HG GLN 39 9.372 -0.701 11.854 271 2HG GLN 39 1HG GLN 39 8.631 0.896 11.957 272 1HE2 GLN 39 1HE2 GLN 39 6.844 1.115 13.124 273 2HE2 GLN 39 2HE2 GLN 39 5.890 -0.181 13.753 274 H ALA 40 H ALA 40 10.592 2.609 10.131 275 HA ALA 40 HA ALA 40 13.017 1.142 9.642 276 1HB ALA 40 1HB ALA 40 12.636 3.686 9.452 277 2HB ALA 40 2HB ALA 40 14.157 3.110 10.135 278 3HB ALA 40 3HB ALA 40 12.879 3.699 11.199 279 HA PRO 41 HA PRO 41 13.684 -0.968 13.452 280 1HB PRO 41 2HB PRO 41 16.347 0.383 13.500 281 2HB PRO 41 1HB PRO 41 15.952 -1.331 13.671 282 1HG PRO 41 2HG PRO 41 16.953 -0.401 11.391 283 2HG PRO 41 1HG PRO 41 15.676 -1.631 11.385 284 1HD PRO 41 2HD PRO 41 15.502 1.286 10.790 285 2HD PRO 41 1HD PRO 41 14.608 -0.070 10.073 286 H GLY 42 H GLY 42 12.280 0.070 14.854 287 1HA GLY 42 2HA GLY 42 12.015 1.082 16.956 288 2HA GLY 42 1HA GLY 42 13.543 1.918 16.723 289 H LYS 43 H LYS 43 10.582 1.791 14.751 290 HA LYS 43 HA LYS 43 10.287 4.693 15.128 291 1HB LYS 43 2HB LYS 43 11.218 3.550 12.795 292 2HB LYS 43 1HB LYS 43 9.502 3.747 12.474 293 1HG LYS 43 2HG LYS 43 9.710 6.135 13.117 294 2HG LYS 43 1HG LYS 43 11.453 5.896 13.262 295 1HD LYS 43 2HD LYS 43 10.687 4.844 10.761 296 2HD LYS 43 1HD LYS 43 9.891 6.411 10.920 297 1HE LYS 43 2HE LYS 43 12.232 7.214 11.720 298 2HE LYS 43 1HE LYS 43 12.809 5.752 10.920 299 1HZ LYS 43 1HZ LYS 43 11.148 6.871 9.085 300 2HZ LYS 43 2HZ LYS 43 12.835 6.993 9.087 301 3HZ LYS 43 3HZ LYS 43 11.900 8.220 9.777 302 H GLY 44 H GLY 44 8.080 5.001 13.417 303 1HA GLY 44 2HA GLY 44 6.054 3.314 14.754 304 2HA GLY 44 1HA GLY 44 5.834 5.040 14.512 305 H LEU 45 H LEU 45 7.365 3.178 12.034 306 HA LEU 45 HA LEU 45 6.764 2.589 9.926 307 1HB LEU 45 2HB LEU 45 5.070 1.241 11.213 308 2HB LEU 45 1HB LEU 45 3.925 2.541 10.938 309 HG LEU 45 HG LEU 45 5.170 1.592 8.472 310 1HD1 LEU 45 1HD1 LEU 45 4.508 -0.582 8.418 311 2HD1 LEU 45 2HD1 LEU 45 3.218 -0.338 9.596 312 3HD1 LEU 45 3HD1 LEU 45 4.894 -0.451 10.134 313 1HD2 LEU 45 1HD2 LEU 45 2.671 1.376 7.929 314 2HD2 LEU 45 2HD2 LEU 45 3.316 2.988 8.244 315 3HD2 LEU 45 3HD2 LEU 45 2.406 2.141 9.496 316 H GLU 46 H GLU 46 5.469 3.273 8.008 317 HA GLU 46 HA GLU 46 4.188 5.855 8.117 318 1HB GLU 46 2HB GLU 46 6.433 6.657 8.029 319 2HB GLU 46 1HB GLU 46 6.884 5.468 6.818 320 1HG GLU 46 2HG GLU 46 6.503 6.988 5.265 321 2HG GLU 46 1HG GLU 46 4.791 6.932 5.687 322 H TRP 47 H TRP 47 2.590 5.845 6.664 323 HA TRP 47 HA TRP 47 2.006 3.692 5.030 324 1HB TRP 47 2HB TRP 47 0.074 4.813 4.978 325 2HB TRP 47 1HB TRP 47 0.867 6.254 5.597 326 HD1 TRP 47 HD TRP 47 0.336 4.548 2.140 327 HE1 TRP 47 1HE TRP 47 0.027 6.407 0.389 328 HE3 TRP 47 3HE TRP 47 0.981 8.625 5.159 329 HZ2 TRP 47 2HZ TRP 47 0.035 9.226 0.302 330 HZ3 TRP 47 3HZ TRP 47 0.807 10.868 4.162 331 HH2 TRP 47 HH TRP 47 0.342 11.158 1.782 332 H VAL 48 H VAL 48 4.094 6.375 4.441 333 HA VAL 48 HA VAL 48 5.473 6.933 2.735 334 HB VAL 48 HB VAL 48 5.178 3.983 2.239 335 1HG1 VAL 48 1HG1 VAL 48 6.090 5.927 0.341 336 2HG1 VAL 48 2HG1 VAL 48 5.977 4.175 0.173 337 3HG1 VAL 48 3HG1 VAL 48 7.438 4.905 0.841 338 1HG2 VAL 48 1HG2 VAL 48 6.707 3.934 3.858 339 2HG2 VAL 48 2HG2 VAL 48 6.894 5.689 3.819 340 3HG2 VAL 48 3HG2 VAL 48 7.833 4.677 2.719 341 H SER 49 H SER 49 3.561 4.528 0.890 342 HA SER 49 HA SER 49 2.549 6.770 -0.739 343 1HB SER 49 2HB SER 49 2.981 5.472 -2.786 344 2HB SER 49 1HB SER 49 4.467 5.814 -1.901 345 HG SER 49 HG SER 49 4.754 3.741 -2.000 346 H THR 50 H THR 50 0.603 6.487 -1.798 347 HA THR 50 HA THR 50 -0.932 4.051 -1.206 348 HB THR 50 HB THR 50 -1.621 6.854 -0.452 349 HG1 THR 50 1HG THR 50 -2.914 5.012 0.942 350 1HG2 THR 50 1HG2 THR 50 -3.749 4.849 -1.205 351 2HG2 THR 50 2HG2 THR 50 -3.328 6.272 -2.158 352 3HG2 THR 50 3HG2 THR 50 -4.004 6.462 -0.540 353 H ILE 51 H ILE 51 -2.447 3.483 -2.773 354 HA ILE 51 HA ILE 51 -2.393 5.115 -5.223 355 HB ILE 51 HB ILE 51 -1.088 3.006 -5.413 356 1HG1 ILE 51 2HG1 ILE 51 -3.408 2.611 -7.246 357 2HG1 ILE 51 1HG1 ILE 51 -2.650 4.202 -7.253 358 1HG2 ILE 51 1HG2 ILE 51 -3.338 1.233 -5.728 359 2HG2 ILE 51 2HG2 ILE 51 -3.276 1.891 -4.093 360 3HG2 ILE 51 3HG2 ILE 51 -1.879 1.041 -4.755 361 1HD1 ILE 51 1HD1 ILE 51 -0.449 2.773 -7.474 362 2HD1 ILE 51 2HD1 ILE 51 -1.438 3.178 -8.876 363 3HD1 ILE 51 3HD1 ILE 51 -1.575 1.585 -8.132 364 H ASN 52 H ASN 52 -4.289 5.421 -6.316 365 HA ASN 52 HA ASN 52 -6.720 4.867 -4.825 366 1HB ASN 52 2HB ASN 52 -6.136 7.117 -5.874 367 2HB ASN 52 1HB ASN 52 -6.490 6.372 -7.430 368 1HD2 ASN 52 1HD2 ASN 52 -7.848 7.174 -4.290 369 2HD2 ASN 52 2HD2 ASN 52 -9.489 7.271 -4.820 370 HA PRO 53 HA PRO 53 -8.166 1.296 -6.989 371 1HB PRO 53 2HB PRO 53 -10.705 2.851 -7.233 372 2HB PRO 53 1HB PRO 53 -10.451 1.195 -6.672 373 1HG PRO 53 2HG PRO 53 -10.900 3.171 -4.940 374 2HG PRO 53 1HG PRO 53 -9.753 1.871 -4.571 375 1HD PRO 53 2HD PRO 53 -9.233 4.698 -5.324 376 2HD PRO 53 1HD PRO 53 -8.281 3.607 -4.298 377 H GLY 54 H GLY 54 -8.069 0.676 -9.068 378 1HA GLY 54 2HA GLY 54 -8.524 0.792 -11.375 379 2HA GLY 54 1HA GLY 54 -8.965 2.483 -11.180 380 H ASP 55 H ASP 55 -6.152 1.987 -9.519 381 HA ASP 55 HA ASP 55 -3.997 2.629 -9.847 382 1HB ASP 55 2HB ASP 55 -4.690 0.990 -12.190 383 2HB ASP 55 1HB ASP 55 -3.321 2.068 -12.443 384 H GLY 56 H GLY 56 -4.544 4.863 -9.628 385 1HA GLY 56 2HA GLY 56 -3.857 6.379 -11.995 386 2HA GLY 56 1HA GLY 56 -5.486 6.656 -11.404 387 H SER 57 H SER 57 -5.789 7.720 -9.417 388 HA SER 57 HA SER 57 -4.004 9.783 -8.847 389 1HB SER 57 2HB SER 57 -6.526 8.819 -7.796 390 2HB SER 57 1HB SER 57 -5.477 9.382 -6.495 391 HG SER 57 HG SER 57 -5.193 11.321 -7.818 392 H THR 58 H THR 58 -2.417 10.090 -7.331 393 HA THR 58 HA THR 58 -1.764 7.844 -5.561 394 HB THR 58 HB THR 58 0.683 8.979 -6.511 395 HG1 THR 58 1HG THR 58 -0.298 9.449 -8.457 396 1HG2 THR 58 1HG2 THR 58 1.056 6.874 -5.817 397 2HG2 THR 58 2HG2 THR 58 0.603 6.425 -7.461 398 3HG2 THR 58 3HG2 THR 58 -0.595 6.360 -6.169 399 H TYR 59 H TYR 59 -0.871 8.379 -3.634 400 HA TYR 59 HA TYR 59 -0.180 11.189 -3.137 401 1HB TYR 59 2HB TYR 59 -1.605 9.736 -0.968 402 2HB TYR 59 1HB TYR 59 -1.628 11.447 -1.376 403 HD1 TYR 59 1HD TYR 59 -3.131 12.281 -3.138 404 HD2 TYR 59 2HD TYR 59 -3.184 8.202 -1.928 405 HE1 TYR 59 1HE TYR 59 -5.306 11.987 -4.246 406 HE2 TYR 59 2HE TYR 59 -5.358 7.897 -3.036 407 HH TYR 59 HH TYR 59 -7.328 10.345 -3.926 408 H TYR 60 H TYR 60 1.623 11.455 -1.933 409 HA TYR 60 HA TYR 60 2.754 9.052 -0.654 410 1HB TYR 60 2HB TYR 60 4.145 11.261 -2.167 411 2HB TYR 60 1HB TYR 60 5.002 10.122 -1.137 412 HD1 TYR 60 1HD TYR 60 2.493 10.049 -3.918 413 HD2 TYR 60 2HD TYR 60 5.956 8.299 -2.171 414 HE1 TYR 60 1HE TYR 60 2.635 8.467 -5.794 415 HE2 TYR 60 2HE TYR 60 6.106 6.715 -4.043 416 HH TYR 60 HH TYR 60 5.261 6.779 -6.583 417 H ALA 61 H ALA 61 4.400 9.589 1.055 418 HA ALA 61 HA ALA 61 3.202 11.292 3.004 419 1HB ALA 61 1HB ALA 61 4.300 9.933 4.374 420 2HB ALA 61 2HB ALA 61 5.839 10.560 3.784 421 3HB ALA 61 3HB ALA 61 5.087 9.178 2.988 422 H ASP 62 H ASP 62 4.622 12.303 0.401 423 HA ASP 62 HA ASP 62 5.525 14.286 -0.236 424 1HB ASP 62 2HB ASP 62 5.724 15.031 2.682 425 2HB ASP 62 1HB ASP 62 5.738 16.117 1.296 426 H SER 63 H SER 63 7.050 12.333 2.174 427 HA SER 63 HA SER 63 9.680 13.455 1.547 428 1HB SER 63 2HB SER 63 8.518 12.296 3.893 429 2HB SER 63 1HB SER 63 9.901 11.316 3.404 430 HG SER 63 HG SER 63 10.201 14.090 3.397 431 H VAL 64 H VAL 64 7.653 11.138 0.389 432 HA VAL 64 HA VAL 64 9.895 9.440 -0.494 433 HB VAL 64 HB VAL 64 7.921 7.768 -0.959 434 1HG1 VAL 64 1HG1 VAL 64 9.375 8.337 1.583 435 2HG1 VAL 64 2HG1 VAL 64 9.562 6.994 0.455 436 3HG1 VAL 64 3HG1 VAL 64 8.174 7.046 1.541 437 1HG2 VAL 64 1HG2 VAL 64 5.926 8.417 -0.230 438 2HG2 VAL 64 2HG2 VAL 64 6.616 9.873 0.487 439 3HG2 VAL 64 3HG2 VAL 64 6.555 8.375 1.417 440 H LYS 65 H LYS 65 7.845 11.803 -1.514 441 HA LYS 65 HA LYS 65 6.882 10.871 -3.979 442 1HB LYS 65 2HB LYS 65 7.495 13.571 -2.854 443 2HB LYS 65 1HB LYS 65 7.198 13.431 -4.582 444 1HG LYS 65 2HG LYS 65 5.307 12.468 -2.448 445 2HG LYS 65 1HG LYS 65 5.192 14.030 -3.261 446 1HD LYS 65 2HD LYS 65 5.291 11.499 -4.858 447 2HD LYS 65 1HD LYS 65 3.775 12.029 -4.126 448 1HE LYS 65 2HE LYS 65 3.946 14.162 -5.296 449 2HE LYS 65 1HE LYS 65 5.481 13.661 -6.006 450 1HZ LYS 65 1HZ LYS 65 3.709 13.342 -7.577 451 2HZ LYS 65 2HZ LYS 65 2.832 12.405 -6.476 452 3HZ LYS 65 3HZ LYS 65 4.295 11.828 -7.098 453 H GLY 66 H GLY 66 8.003 10.104 -5.636 454 1HA GLY 66 2HA GLY 66 9.585 10.238 -7.381 455 2HA GLY 66 1HA GLY 66 10.471 11.442 -6.450 456 H ARG 67 H ARG 67 10.290 9.801 -4.019 457 HA ARG 67 HA ARG 67 12.735 8.404 -4.243 458 1HB ARG 67 2HB ARG 67 11.838 9.420 -2.148 459 2HB ARG 67 1HB ARG 67 10.618 8.160 -2.096 460 1HG ARG 67 2HG ARG 67 12.032 6.985 -0.864 461 2HG ARG 67 1HG ARG 67 13.014 6.785 -2.320 462 1HD ARG 67 2HD ARG 67 14.630 7.792 -1.147 463 2HD ARG 67 1HD ARG 67 13.742 9.278 -1.482 464 HE ARG 67 HE ARG 67 13.314 7.712 0.980 465 1HH1 ARG 67 1HH1 ARG 67 13.887 10.728 -0.670 466 2HH1 ARG 67 2HH1 ARG 67 13.754 11.687 0.767 467 1HH2 ARG 67 1HH2 ARG 67 13.133 8.966 2.875 468 2HH2 ARG 67 2HH2 ARG 67 13.326 10.684 2.784 469 H PHE 68 H PHE 68 9.463 7.182 -3.560 470 HA PHE 68 HA PHE 68 10.241 4.621 -4.794 471 1HB PHE 68 2HB PHE 68 8.162 5.099 -2.649 472 2HB PHE 68 1HB PHE 68 8.591 3.542 -3.342 473 HD1 PHE 68 1HD PHE 68 11.676 4.522 -3.324 474 HD2 PHE 68 2HD PHE 68 8.572 4.111 -0.442 475 HE1 PHE 68 1HE PHE 68 13.360 4.191 -1.563 476 HE2 PHE 68 2HE PHE 68 10.251 3.788 1.325 477 HZ PHE 68 HZ PHE 68 12.645 3.826 0.763 478 H THR 69 H THR 69 8.385 3.392 -5.713 479 HA THR 69 HA THR 69 6.330 5.175 -6.842 480 HB THR 69 HB THR 69 7.945 3.072 -8.290 481 HG1 THR 69 1HG THR 69 7.715 5.862 -8.369 482 1HG2 THR 69 1HG2 THR 69 6.442 3.718 -10.257 483 2HG2 THR 69 2HG2 THR 69 5.329 4.355 -9.046 484 3HG2 THR 69 3HG2 THR 69 5.753 2.642 -9.042 485 H ILE 70 H ILE 70 4.365 4.521 -6.306 486 HA ILE 70 HA ILE 70 3.973 1.739 -5.476 487 HB ILE 70 HB ILE 70 3.279 3.245 -3.778 488 1HG1 ILE 70 2HG1 ILE 70 0.554 2.930 -4.722 489 2HG1 ILE 70 1HG1 ILE 70 1.497 1.470 -4.995 490 1HG2 ILE 70 1HG2 ILE 70 3.141 5.300 -4.958 491 2HG2 ILE 70 2HG2 ILE 70 1.553 5.010 -4.249 492 3HG2 ILE 70 3HG2 ILE 70 1.821 4.708 -5.965 493 1HD1 ILE 70 1HD1 ILE 70 1.458 0.954 -2.842 494 2HD1 ILE 70 2HD1 ILE 70 0.206 2.188 -2.695 495 3HD1 ILE 70 3HD1 ILE 70 1.891 2.593 -2.355 496 H SER 71 H SER 71 3.069 0.395 -6.816 497 HA SER 71 HA SER 71 0.826 1.177 -8.475 498 1HB SER 71 2HB SER 71 2.313 1.603 -10.187 499 2HB SER 71 1HB SER 71 3.519 0.481 -9.560 500 HG SER 71 HG SER 71 1.304 -0.001 -11.189 501 H ARG 72 H ARG 72 -0.116 -0.782 -9.578 502 HA ARG 72 HA ARG 72 0.632 -3.365 -8.559 503 1HB ARG 72 2HB ARG 72 -1.152 -3.804 -7.130 504 2HB ARG 72 1HB ARG 72 -0.700 -2.161 -6.706 505 1HG ARG 72 2HG ARG 72 -2.593 -1.835 -8.697 506 2HG ARG 72 1HG ARG 72 -3.197 -3.191 -7.742 507 1HD ARG 72 2HD ARG 72 -3.193 -1.909 -5.751 508 2HD ARG 72 1HD ARG 72 -2.259 -0.617 -6.502 509 HE ARG 72 HE ARG 72 -4.412 -0.524 -8.004 510 1HH1 ARG 72 1HH1 ARG 72 -4.190 -0.954 -4.553 511 2HH1 ARG 72 2HH1 ARG 72 -5.718 -0.205 -4.233 512 1HH2 ARG 72 1HH2 ARG 72 -6.423 0.456 -7.594 513 2HH2 ARG 72 2HH2 ARG 72 -6.990 0.596 -5.963 514 H ASP 73 H ASP 73 -1.272 -4.978 -9.104 515 HA ASP 73 HA ASP 73 -2.036 -4.394 -11.877 516 1HB ASP 73 2HB ASP 73 -0.673 -6.520 -10.995 517 2HB ASP 73 1HB ASP 73 -2.305 -7.137 -10.752 518 H ASN 74 H ASN 74 -4.083 -6.033 -12.365 519 HA ASN 74 HA ASN 74 -6.135 -5.303 -10.381 520 1HB ASN 74 2HB ASN 74 -7.643 -5.285 -12.552 521 2HB ASN 74 1HB ASN 74 -6.719 -3.862 -12.079 522 1HD2 ASN 74 1HD2 ASN 74 -5.239 -3.070 -13.439 523 2HD2 ASN 74 2HD2 ASN 74 -4.782 -3.800 -14.936 524 H ALA 75 H ALA 75 -4.979 -7.636 -12.721 525 HA ALA 75 HA ALA 75 -7.179 -9.451 -12.336 526 1HB ALA 75 1HB ALA 75 -5.620 -11.029 -13.612 527 2HB ALA 75 2HB ALA 75 -4.565 -9.628 -13.797 528 3HB ALA 75 3HB ALA 75 -6.202 -9.593 -14.455 529 H LYS 76 H LYS 76 -3.970 -9.005 -11.022 530 HA LYS 76 HA LYS 76 -4.286 -11.431 -9.394 531 1HB LYS 76 2HB LYS 76 -1.892 -9.832 -10.250 532 2HB LYS 76 1HB LYS 76 -1.799 -10.921 -8.872 533 1HG LYS 76 2HG LYS 76 -2.993 -12.381 -10.957 534 2HG LYS 76 1HG LYS 76 -1.628 -11.511 -11.663 535 1HD LYS 76 2HD LYS 76 -0.178 -12.395 -9.870 536 2HD LYS 76 1HD LYS 76 -1.548 -13.317 -9.247 537 1HE LYS 76 2HE LYS 76 -1.045 -13.708 -12.103 538 2HE LYS 76 1HE LYS 76 0.281 -14.228 -11.065 539 1HZ LYS 76 1HZ LYS 76 -0.860 -16.050 -10.598 540 2HZ LYS 76 2HZ LYS 76 -2.145 -15.534 -11.570 541 3HZ LYS 76 3HZ LYS 76 -2.110 -15.124 -9.930 542 H ASN 77 H ASN 77 -3.470 -11.277 -7.133 543 HA ASN 77 HA ASN 77 -4.365 -8.746 -5.933 544 1HB ASN 77 2HB ASN 77 -4.606 -11.581 -5.181 545 2HB ASN 77 1HB ASN 77 -4.183 -10.507 -3.851 546 1HD2 ASN 77 1HD2 ASN 77 -6.438 -11.595 -3.422 547 2HD2 ASN 77 2HD2 ASN 77 -7.788 -10.588 -3.807 548 H THR 78 H THR 78 -2.084 -8.043 -6.649 549 HA THR 78 HA THR 78 -0.333 -8.375 -4.327 550 HB THR 78 HB THR 78 1.541 -8.187 -6.281 551 HG1 THR 78 1HG THR 78 0.610 -10.169 -7.602 552 1HG2 THR 78 1HG2 THR 78 2.269 -10.166 -5.455 553 2HG2 THR 78 2HG2 THR 78 0.703 -10.950 -5.655 554 3HG2 THR 78 3HG2 THR 78 0.990 -9.894 -4.272 555 H LEU 79 H LEU 79 0.908 -6.638 -3.810 556 HA LEU 79 HA LEU 79 0.405 -4.168 -5.332 557 1HB LEU 79 2HB LEU 79 -0.209 -4.499 -2.782 558 2HB LEU 79 1HB LEU 79 1.497 -4.177 -2.544 559 HG LEU 79 HG LEU 79 1.241 -1.998 -3.663 560 1HD1 LEU 79 1HD1 LEU 79 -1.272 -1.277 -3.824 561 2HD1 LEU 79 2HD1 LEU 79 -1.530 -3.006 -4.062 562 3HD1 LEU 79 3HD1 LEU 79 -0.482 -2.110 -5.162 563 1HD2 LEU 79 1HD2 LEU 79 -0.846 -2.229 -1.516 564 2HD2 LEU 79 2HD2 LEU 79 0.233 -0.877 -1.862 565 3HD2 LEU 79 3HD2 LEU 79 0.878 -2.367 -1.171 566 H TYR 80 H TYR 80 2.171 -2.916 -5.982 567 HA TYR 80 HA TYR 80 4.820 -4.091 -5.447 568 1HB TYR 80 2HB TYR 80 3.733 -3.084 -8.076 569 2HB TYR 80 1HB TYR 80 5.438 -3.416 -7.793 570 HD1 TYR 80 1HD TYR 80 2.090 -5.043 -7.635 571 HD2 TYR 80 2HD TYR 80 6.275 -5.541 -8.206 572 HE1 TYR 80 1HE TYR 80 1.718 -7.392 -8.243 573 HE2 TYR 80 2HE TYR 80 5.920 -7.894 -8.818 574 HH TYR 80 HH TYR 80 4.441 -9.541 -9.033 575 H LEU 81 H LEU 81 6.614 -2.683 -5.576 576 HA LEU 81 HA LEU 81 6.167 0.150 -5.829 577 1HB LEU 81 2HB LEU 81 5.592 -0.283 -3.460 578 2HB LEU 81 1HB LEU 81 7.197 -0.950 -3.215 579 HG LEU 81 HG LEU 81 7.823 1.487 -4.240 580 1HD1 LEU 81 1HD1 LEU 81 5.079 1.665 -3.467 581 2HD1 LEU 81 2HD1 LEU 81 6.132 2.903 -4.156 582 3HD1 LEU 81 3HD1 LEU 81 6.062 2.679 -2.408 583 1HD2 LEU 81 1HD2 LEU 81 8.995 1.304 -2.367 584 2HD2 LEU 81 2HD2 LEU 81 7.806 0.216 -1.651 585 3HD2 LEU 81 3HD2 LEU 81 7.598 1.962 -1.517 586 H GLN 82 H GLN 82 7.909 1.163 -6.593 587 HA GLN 82 HA GLN 82 10.383 -0.401 -6.835 588 1HB GLN 82 2HB GLN 82 9.070 0.559 -8.873 589 2HB GLN 82 1HB GLN 82 9.795 2.091 -8.405 590 1HG GLN 82 2HG GLN 82 11.221 1.226 -10.034 591 2HG GLN 82 1HG GLN 82 12.030 0.886 -8.504 592 1HE2 GLN 82 1HE2 GLN 82 13.007 -0.996 -8.597 593 2HE2 GLN 82 2HE2 GLN 82 12.381 -2.439 -9.310 594 H MET 83 H MET 83 11.699 0.064 -5.205 595 HA MET 83 HA MET 83 11.807 2.711 -4.050 596 1HB MET 83 2HB MET 83 13.495 0.290 -3.408 597 2HB MET 83 1HB MET 83 13.324 1.739 -2.429 598 1HG MET 83 2HG MET 83 11.414 1.040 -1.511 599 2HG MET 83 1HG MET 83 10.792 0.420 -3.040 600 1HE MET 83 1HE MET 83 10.671 -2.533 -0.343 601 2HE MET 83 2HE MET 83 9.723 -1.278 -1.141 602 3HE MET 83 3HE MET 83 10.807 -0.855 0.184 603 H ASN 84 H ASN 84 12.682 4.049 -5.599 604 HA ASN 84 HA ASN 84 15.372 3.378 -6.582 605 1HB ASN 84 2HB ASN 84 13.092 4.825 -7.701 606 2HB ASN 84 1HB ASN 84 14.607 5.707 -7.864 607 1HD2 ASN 84 1HD2 ASN 84 12.682 3.914 -9.582 608 2HD2 ASN 84 2HD2 ASN 84 13.798 2.993 -10.525 609 H SER 85 H SER 85 16.430 3.894 -4.605 610 HA SER 85 HA SER 85 17.428 6.513 -4.469 611 1HB SER 85 2HB SER 85 16.482 6.973 -2.088 612 2HB SER 85 1HB SER 85 15.471 7.331 -3.489 613 HG SER 85 HG SER 85 15.356 4.833 -2.179 614 H LEU 86 H LEU 86 16.695 4.922 -1.456 615 HA LEU 86 HA LEU 86 18.028 4.027 0.148 616 1HB LEU 86 2HB LEU 86 19.508 2.736 -2.128 617 2HB LEU 86 1HB LEU 86 19.433 2.186 -0.469 618 HG LEU 86 HG LEU 86 17.966 0.726 -1.422 619 1HD1 LEU 86 1HD1 LEU 86 15.783 2.684 -1.299 620 2HD1 LEU 86 2HD1 LEU 86 16.790 2.589 0.145 621 3HD1 LEU 86 3HD1 LEU 86 15.982 1.143 -0.463 622 1HD2 LEU 86 1HD2 LEU 86 17.777 2.774 -3.486 623 2HD2 LEU 86 2HD2 LEU 86 16.261 1.921 -3.198 624 3HD2 LEU 86 3HD2 LEU 86 17.716 1.017 -3.619 625 H LYS 87 H LYS 87 19.026 5.786 0.950 626 HA LYS 87 HA LYS 87 21.688 6.438 -0.130 627 1HB LYS 87 2HB LYS 87 21.200 8.629 1.258 628 2HB LYS 87 1HB LYS 87 20.568 8.432 -0.371 629 1HG LYS 87 2HG LYS 87 18.798 7.394 1.709 630 2HG LYS 87 1HG LYS 87 19.103 9.129 1.824 631 1HD LYS 87 2HD LYS 87 18.662 8.893 -0.828 632 2HD LYS 87 1HD LYS 87 17.641 7.587 -0.224 633 1HE LYS 87 2HE LYS 87 16.115 9.023 0.537 634 2HE LYS 87 1HE LYS 87 17.341 9.984 1.362 635 1HZ LYS 87 1HZ LYS 87 17.791 11.151 -0.682 636 2HZ LYS 87 2HZ LYS 87 16.138 11.250 -0.335 637 3HZ LYS 87 3HZ LYS 87 16.688 10.186 -1.528 638 H SER 88 H SER 88 21.459 4.286 1.606 639 HA SER 88 HA SER 88 22.314 3.424 3.545 640 1HB SER 88 2HB SER 88 23.782 6.039 3.881 641 2HB SER 88 1HB SER 88 24.282 4.434 4.418 642 HG SER 88 HG SER 88 24.897 3.931 2.419 643 H GLU 89 H GLU 89 20.009 5.434 3.480 644 HA GLU 89 HA GLU 89 19.958 5.991 6.368 645 1HB GLU 89 2HB GLU 89 20.060 8.088 5.336 646 2HB GLU 89 1HB GLU 89 19.014 7.592 4.013 647 1HG GLU 89 2HG GLU 89 17.599 8.920 5.206 648 2HG GLU 89 1HG GLU 89 17.226 7.337 5.889 649 H ASP 90 H ASP 90 18.196 4.911 3.542 650 HA ASP 90 HA ASP 90 15.656 4.602 4.674 651 1HB ASP 90 2HB ASP 90 17.044 3.711 2.263 652 2HB ASP 90 1HB ASP 90 15.873 2.529 2.842 653 H THR 91 H THR 91 17.010 1.585 3.630 654 HA THR 91 HA THR 91 16.984 -0.475 4.635 655 HB THR 91 HB THR 91 18.329 0.896 6.947 656 HG1 THR 91 1HG THR 91 19.942 0.060 4.869 657 1HG2 THR 91 1HG2 THR 91 18.371 -1.831 5.726 658 2HG2 THR 91 2HG2 THR 91 18.230 -1.362 7.420 659 3HG2 THR 91 3HG2 THR 91 19.785 -1.243 6.599 660 H ALA 92 H ALA 92 14.784 -0.833 5.058 661 HA ALA 92 HA ALA 92 14.122 -1.078 7.833 662 1HB ALA 92 1HB ALA 92 12.098 0.331 7.766 663 2HB ALA 92 2HB ALA 92 12.581 0.913 6.173 664 3HB ALA 92 3HB ALA 92 13.583 1.264 7.582 665 H VAL 93 H VAL 93 11.755 -1.854 8.055 666 HA VAL 93 HA VAL 93 11.388 -3.978 6.111 667 HB VAL 93 HB VAL 93 9.707 -3.392 8.555 668 1HG1 VAL 93 1HG1 VAL 93 10.016 -5.805 6.778 669 2HG1 VAL 93 2HG1 VAL 93 8.558 -4.861 7.084 670 3HG1 VAL 93 3HG1 VAL 93 9.244 -5.862 8.363 671 1HG2 VAL 93 1HG2 VAL 93 11.807 -3.727 9.484 672 2HG2 VAL 93 2HG2 VAL 93 12.281 -4.890 8.244 673 3HG2 VAL 93 3HG2 VAL 93 11.116 -5.350 9.487 674 H TYR 94 H TYR 94 9.564 -4.248 4.808 675 HA TYR 94 HA TYR 94 7.776 -1.913 4.670 676 1HB TYR 94 2HB TYR 94 9.091 -3.436 2.427 677 2HB TYR 94 1HB TYR 94 7.671 -2.430 2.166 678 HD1 TYR 94 1HD TYR 94 11.086 -2.247 3.664 679 HD2 TYR 94 2HD TYR 94 7.981 -0.195 1.603 680 HE1 TYR 94 1HE TYR 94 12.541 -0.276 3.448 681 HE2 TYR 94 2HE TYR 94 9.429 1.782 1.383 682 HH TYR 94 HH TYR 94 12.354 1.938 1.446 683 H TYR 95 H TYR 95 5.643 -2.264 4.421 684 HA TYR 95 HA TYR 95 4.700 -5.003 3.964 685 1HB TYR 95 2HB TYR 95 3.151 -3.414 5.929 686 2HB TYR 95 1HB TYR 95 3.448 -5.144 5.868 687 HD1 TYR 95 1HD TYR 95 5.020 -6.124 7.290 688 HD2 TYR 95 2HD TYR 95 5.047 -1.907 6.755 689 HE1 TYR 95 1HE TYR 95 6.647 -5.909 9.122 690 HE2 TYR 95 2HE TYR 95 6.679 -1.678 8.579 691 HH TYR 95 HH TYR 95 7.655 -4.446 10.529 692 H CYS 96 H CYS 96 2.331 -5.032 3.488 693 HA CYS 96 HA CYS 96 1.498 -2.563 2.127 694 1HB CYS 96 2HB CYS 96 0.822 -3.715 0.251 695 2HB CYS 96 1HB CYS 96 2.190 -4.709 0.737 696 H ALA 97 H ALA 97 -0.563 -1.886 2.509 697 HA ALA 97 HA ALA 97 -2.397 -3.667 3.924 698 1HB ALA 97 1HB ALA 97 -1.054 -1.317 5.103 699 2HB ALA 97 2HB ALA 97 -1.652 -2.792 5.866 700 3HB ALA 97 3HB ALA 97 -2.775 -1.499 5.446 701 H LYS 98 H LYS 98 -4.564 -2.806 4.141 702 HA LYS 98 HA LYS 98 -5.304 -1.228 1.797 703 1HB LYS 98 2HB LYS 98 -6.548 -3.220 1.895 704 2HB LYS 98 1HB LYS 98 -6.788 -3.094 3.631 705 1HG LYS 98 2HG LYS 98 -7.946 -0.901 2.065 706 2HG LYS 98 1HG LYS 98 -8.651 -2.492 1.769 707 1HD LYS 98 2HD LYS 98 -8.197 -1.642 4.585 708 2HD LYS 98 1HD LYS 98 -9.541 -0.924 3.697 709 1HE LYS 98 2HE LYS 98 -9.117 -3.734 4.570 710 2HE LYS 98 1HE LYS 98 -10.579 -2.749 4.610 711 1HZ LYS 98 1HZ LYS 98 -10.604 -2.940 2.131 712 2HZ LYS 98 2HZ LYS 98 -10.887 -4.389 2.957 713 3HZ LYS 98 3HZ LYS 98 -9.374 -4.094 2.261 714 H TYR 99 H TYR 99 -5.987 0.812 1.933 715 HA TYR 99 HA TYR 99 -6.108 2.099 4.518 716 1HB TYR 99 2HB TYR 99 -5.597 2.900 1.812 717 2HB TYR 99 1HB TYR 99 -6.894 3.892 2.468 718 HD1 TYR 99 1HD TYR 99 -6.464 5.062 4.712 719 HD2 TYR 99 2HD TYR 99 -3.371 3.360 2.338 720 HE1 TYR 99 1HE TYR 99 -4.808 6.455 5.878 721 HE2 TYR 99 2HE TYR 99 -1.707 4.748 3.497 722 HH TYR 99 HH TYR 99 -2.169 6.194 6.328 723 H SER 100 H SER 100 -7.887 3.236 5.341 724 HA SER 100 HA SER 100 -10.471 2.235 4.380 725 1HB SER 100 2HB SER 100 -9.371 2.901 7.041 726 2HB SER 100 1HB SER 100 -11.050 3.368 6.778 727 HG SER 100 HG SER 100 -10.767 0.928 5.818 728 H GLY 101 H GLY 101 -9.164 5.212 5.865 729 1HA GLY 101 2HA GLY 101 -10.615 6.791 3.881 730 2HA GLY 101 1HA GLY 101 -11.057 7.033 5.564 731 H GLY 102 H GLY 102 -8.353 6.670 6.576 732 1HA GLY 102 2HA GLY 102 -6.582 8.503 5.324 733 2HA GLY 102 1HA GLY 102 -7.472 9.302 6.611 734 H ALA 103 H ALA 103 -7.040 6.010 7.212 735 HA ALA 103 HA ALA 103 -4.478 6.348 8.563 736 1HB ALA 103 1HB ALA 103 -6.966 5.501 10.044 737 2HB ALA 103 2HB ALA 103 -6.131 7.044 10.228 738 3HB ALA 103 3HB ALA 103 -5.331 5.546 10.701 739 H LEU 104 H LEU 104 -3.362 4.717 7.674 740 HA LEU 104 HA LEU 104 -4.563 2.313 6.760 741 1HB LEU 104 2HB LEU 104 -2.367 3.448 5.990 742 2HB LEU 104 1HB LEU 104 -1.629 2.603 7.336 743 HG LEU 104 HG LEU 104 -2.037 0.481 6.379 744 1HD1 LEU 104 1HD1 LEU 104 -4.254 0.550 5.646 745 2HD1 LEU 104 2HD1 LEU 104 -3.311 0.351 4.170 746 3HD1 LEU 104 3HD1 LEU 104 -3.955 1.935 4.597 747 1HD2 LEU 104 1HD2 LEU 104 -1.518 1.475 3.757 748 2HD2 LEU 104 2HD2 LEU 104 -0.418 0.695 4.898 749 3HD2 LEU 104 3HD2 LEU 104 -0.640 2.446 4.942 750 H ASP 105 H ASP 105 -3.816 0.132 7.487 751 HA ASP 105 HA ASP 105 -3.842 0.018 10.425 752 1HB ASP 105 2HB ASP 105 -5.369 -1.333 8.405 753 2HB ASP 105 1HB ASP 105 -4.448 -2.523 9.323 754 H ALA 106 H ALA 106 -2.166 -0.956 7.556 755 HA ALA 106 HA ALA 106 -0.165 -1.947 7.176 756 1HB ALA 106 1HB ALA 106 1.455 -1.966 9.158 757 2HB ALA 106 2HB ALA 106 0.204 -1.055 10.005 758 3HB ALA 106 3HB ALA 106 0.919 -0.408 8.528 759 H TRP 107 H TRP 107 -0.287 -4.010 6.700 760 HA TRP 107 HA TRP 107 -0.390 -5.953 8.901 761 1HB TRP 107 2HB TRP 107 -1.727 -6.356 6.223 762 2HB TRP 107 1HB TRP 107 -1.828 -7.404 7.633 763 HD1 TRP 107 HD TRP 107 -2.685 -5.477 9.883 764 HE1 TRP 107 1HE TRP 107 -4.966 -4.282 9.825 765 HE3 TRP 107 3HE TRP 107 -3.613 -5.776 4.879 766 HZ2 TRP 107 2HZ TRP 107 -6.906 -3.564 7.893 767 HZ3 TRP 107 3HZ TRP 107 -5.703 -4.821 3.998 768 HH2 TRP 107 HH TRP 107 -7.310 -3.738 5.475 769 H GLY 108 H GLY 108 -0.422 -7.752 6.261 770 1HA GLY 108 2HA GLY 108 1.123 -8.837 4.964 771 2HA GLY 108 1HA GLY 108 2.183 -7.450 5.178 772 H GLN 109 H GLN 109 3.480 -9.701 5.084 773 HA GLN 109 HA GLN 109 3.748 -10.912 7.702 774 1HB GLN 109 2HB GLN 109 4.352 -11.662 5.023 775 2HB GLN 109 1HB GLN 109 5.848 -11.704 5.944 776 1HG GLN 109 2HG GLN 109 5.043 -13.320 7.414 777 2HG GLN 109 1HG GLN 109 3.364 -13.013 6.974 778 1HE2 GLN 109 1HE2 GLN 109 2.630 -13.726 4.906 779 2HE2 GLN 109 2HE2 GLN 109 3.397 -15.060 4.120 780 H GLY 110 H GLY 110 5.540 -8.702 5.621 781 1HA GLY 110 2HA GLY 110 6.870 -6.964 6.657 782 2HA GLY 110 1HA GLY 110 7.286 -8.108 7.922 783 H THR 111 H THR 111 8.038 -6.928 4.763 784 HA THR 111 HA THR 111 10.108 -8.954 4.376 785 HB THR 111 HB THR 111 8.761 -8.371 2.420 786 HG1 THR 111 1HG THR 111 11.377 -8.454 2.539 787 1HG2 THR 111 1HG2 THR 111 9.309 -6.050 1.395 788 2HG2 THR 111 2HG2 THR 111 9.720 -5.601 3.050 789 3HG2 THR 111 3HG2 THR 111 8.091 -6.155 2.665 790 H GLN 112 H GLN 112 12.244 -8.589 4.594 791 HA GLN 112 HA GLN 112 13.044 -6.133 5.893 792 1HB GLN 112 2HB GLN 112 13.951 -8.101 6.854 793 2HB GLN 112 1HB GLN 112 14.465 -8.721 5.292 794 1HG GLN 112 2HG GLN 112 16.479 -7.938 5.813 795 2HG GLN 112 1HG GLN 112 15.817 -6.341 5.471 796 1HE2 GLN 112 1HE2 GLN 112 15.438 -4.936 7.124 797 2HE2 GLN 112 2HE2 GLN 112 15.900 -5.240 8.761 798 H VAL 113 H VAL 113 13.352 -4.426 4.608 799 HA VAL 113 HA VAL 113 14.814 -4.808 2.084 800 HB VAL 113 HB VAL 113 12.968 -2.611 3.016 801 1HG1 VAL 113 1HG1 VAL 113 15.031 -2.572 0.859 802 2HG1 VAL 113 2HG1 VAL 113 14.565 -1.302 1.992 803 3HG1 VAL 113 3HG1 VAL 113 13.514 -1.701 0.631 804 1HG2 VAL 113 1HG2 VAL 113 12.406 -3.465 0.401 805 2HG2 VAL 113 2HG2 VAL 113 11.475 -3.785 1.866 806 3HG2 VAL 113 3HG2 VAL 113 12.715 -4.925 1.342 807 H THR 114 H THR 114 16.930 -4.449 2.258 808 HA THR 114 HA THR 114 17.823 -2.177 3.903 809 HB THR 114 HB THR 114 18.960 -4.969 3.885 810 HG1 THR 114 1HG THR 114 17.411 -4.728 5.447 811 1HG2 THR 114 1HG2 THR 114 20.847 -3.469 3.715 812 2HG2 THR 114 2HG2 THR 114 20.745 -4.083 5.365 813 3HG2 THR 114 3HG2 THR 114 20.195 -2.448 4.997 814 H VAL 115 H VAL 115 19.677 -1.109 3.201 815 HA VAL 115 HA VAL 115 20.449 -1.718 0.430 816 HB VAL 115 HB VAL 115 19.583 0.431 0.374 817 1HG1 VAL 115 1HG1 VAL 115 19.800 2.117 2.014 818 2HG1 VAL 115 2HG1 VAL 115 21.096 1.249 2.839 819 3HG1 VAL 115 3HG1 VAL 115 19.448 0.621 2.881 820 1HG2 VAL 115 1HG2 VAL 115 21.710 0.455 -0.712 821 2HG2 VAL 115 2HG2 VAL 115 22.546 0.719 0.819 822 3HG2 VAL 115 3HG2 VAL 115 21.517 1.984 0.148 823 H SER 116 H SER 116 22.196 -2.960 0.497 824 HA SER 116 HA SER 116 24.655 -1.897 1.534 825 1HB SER 116 2HB SER 116 23.150 -3.551 3.248 826 2HB SER 116 1HB SER 116 24.461 -4.558 2.635 827 HG SER 116 HG SER 116 25.248 -3.512 4.412 828 H SER 117 H SER 117 25.862 -2.197 -0.229 829 HA SER 117 HA SER 117 26.522 -4.832 -1.105 830 1HB SER 117 2HB SER 117 24.266 -4.121 -2.275 831 2HB SER 117 1HB SER 117 25.345 -3.189 -3.312 832 HG SER 117 HG SER 117 25.754 -4.981 -4.304 833 H GLN 118 H GLN 118 28.647 -4.562 -1.156 834 HA GLN 118 HA GLN 118 30.719 -3.754 -1.588 835 1HB GLN 118 2HB GLN 118 31.162 -3.379 -3.788 836 2HB GLN 118 1HB GLN 118 29.527 -3.998 -3.959 837 1HG GLN 118 2HG GLN 118 29.075 -1.332 -3.629 838 2HG GLN 118 1HG GLN 118 30.606 -1.335 -4.503 839 1HE2 GLN 118 1HE2 GLN 118 27.266 -1.575 -4.749 840 2HE2 GLN 118 2HE2 GLN 118 27.167 -2.080 -6.399 841 H SER 119 H SER 119 31.947 -1.606 -2.279 842 HA SER 119 HA SER 119 30.642 0.627 -0.865 843 1HB SER 119 2HB SER 119 32.264 0.159 0.682 844 2HB SER 119 1HB SER 119 33.335 -0.584 -0.507 845 HG SER 119 HG SER 119 33.680 1.722 0.499 846 H GLU 120 H GLU 120 33.216 -0.209 -3.174 847 HA GLU 120 HA GLU 120 33.400 2.444 -4.222 848 1HB GLU 120 2HB GLU 120 34.418 -0.198 -5.278 849 2HB GLU 120 1HB GLU 120 34.801 1.364 -5.987 850 1HG GLU 120 2HG GLU 120 36.194 1.956 -4.281 851 2HG GLU 120 1HG GLU 120 35.349 0.958 -3.097 852 H GLN 121 H GLN 121 33.195 2.723 -6.695 853 HA GLN 121 HA GLN 121 30.934 1.285 -7.835 854 1HB GLN 121 2HB GLN 121 30.108 3.312 -6.506 855 2HB GLN 121 1HB GLN 121 30.878 4.296 -7.744 856 1HG GLN 121 2HG GLN 121 29.316 3.815 -9.299 857 2HG GLN 121 1HG GLN 121 29.050 2.182 -8.689 858 1HE2 GLN 121 1HE2 GLN 121 28.739 5.473 -7.389 859 2HE2 GLN 121 2HE2 GLN 121 27.134 5.265 -6.783 860 H LYS 122 H LYS 122 33.819 3.044 -8.107 861 HA LYS 122 HA LYS 122 33.577 3.351 -11.007 862 1HB LYS 122 2HB LYS 122 35.146 4.638 -8.897 863 2HB LYS 122 1HB LYS 122 36.095 4.243 -10.324 864 1HG LYS 122 2HG LYS 122 34.461 5.458 -11.713 865 2HG LYS 122 1HG LYS 122 33.586 5.906 -10.247 866 1HD LYS 122 2HD LYS 122 36.495 6.554 -10.659 867 2HD LYS 122 1HD LYS 122 35.199 7.631 -11.184 868 1HE LYS 122 2HE LYS 122 35.311 6.613 -8.368 869 2HE LYS 122 1HE LYS 122 36.274 8.005 -8.863 870 1HZ LYS 122 1HZ LYS 122 33.733 8.468 -9.825 871 2HZ LYS 122 2HZ LYS 122 34.476 9.230 -8.510 872 3HZ LYS 122 3HZ LYS 122 33.506 7.869 -8.259 873 H LEU 123 H LEU 123 35.340 2.626 -12.388 874 HA LEU 123 HA LEU 123 36.297 -0.004 -11.552 875 1HB LEU 123 2HB LEU 123 36.369 1.292 -14.278 876 2HB LEU 123 1HB LEU 123 36.767 -0.377 -13.915 877 HG LEU 123 HG LEU 123 34.110 0.232 -12.979 878 1HD1 LEU 123 1HD1 LEU 123 33.384 1.602 -14.579 879 2HD1 LEU 123 2HD1 LEU 123 33.550 0.238 -15.684 880 3HD1 LEU 123 3HD1 LEU 123 34.860 1.407 -15.524 881 1HD2 LEU 123 1HD2 LEU 123 33.588 -1.785 -13.997 882 2HD2 LEU 123 2HD2 LEU 123 35.296 -1.979 -13.600 883 3HD2 LEU 123 3HD2 LEU 123 34.814 -1.585 -15.250 884 H ILE 124 H ILE 124 38.504 -0.643 -12.341 885 HA ILE 124 HA ILE 124 40.471 0.874 -11.116 886 HB ILE 124 HB ILE 124 40.654 -1.264 -13.227 887 1HG1 ILE 124 2HG1 ILE 124 41.784 -2.410 -11.201 888 2HG1 ILE 124 1HG1 ILE 124 41.081 -1.104 -10.253 889 1HG2 ILE 124 1HG2 ILE 124 42.629 -0.190 -13.719 890 2HG2 ILE 124 2HG2 ILE 124 43.145 -1.284 -12.436 891 3HG2 ILE 124 3HG2 ILE 124 42.836 0.415 -12.076 892 1HD1 ILE 124 1HD1 ILE 124 38.858 -1.761 -10.979 893 2HD1 ILE 124 2HD1 ILE 124 39.699 -3.102 -10.203 894 3HD1 ILE 124 3HD1 ILE 124 39.551 -3.053 -11.960 895 H SER 125 H SER 125 40.869 2.928 -11.627 896 HA SER 125 HA SER 125 42.181 3.590 -14.047 897 1HB SER 125 2HB SER 125 39.385 3.682 -14.224 898 2HB SER 125 1HB SER 125 39.889 5.361 -14.026 899 HG SER 125 HG SER 125 40.450 3.555 -16.087 900 H GLU 126 H GLU 126 41.732 3.956 -10.920 901 HA GLU 126 HA GLU 126 42.973 6.600 -10.888 902 1HB GLU 126 2HB GLU 126 40.282 6.115 -10.074 903 2HB GLU 126 1HB GLU 126 41.232 6.479 -8.639 904 1HG GLU 126 2HG GLU 126 42.116 8.443 -10.174 905 2HG GLU 126 1HG GLU 126 40.558 8.195 -10.960 906 H GLU 127 H GLU 127 41.696 4.319 -8.464 907 HA GLU 127 HA GLU 127 43.857 4.639 -6.694 908 1HB GLU 127 2HB GLU 127 42.969 2.381 -5.772 909 2HB GLU 127 1HB GLU 127 41.942 3.805 -5.681 910 1HG GLU 127 2HG GLU 127 41.526 2.411 -8.162 911 2HG GLU 127 1HG GLU 127 41.317 1.327 -6.788 912 H ASP 128 H ASP 128 43.122 2.008 -8.979 913 HA ASP 128 HA ASP 128 45.806 0.925 -8.574 914 1HB ASP 128 2HB ASP 128 43.300 -0.249 -9.060 915 2HB ASP 128 1HB ASP 128 44.234 -0.505 -10.530 916 H LEU 129 H LEU 129 46.074 3.290 -9.739 917 HA LEU 129 HA LEU 129 46.999 2.591 -12.409 918 1HB LEU 129 2HB LEU 129 44.760 3.488 -12.786 919 2HB LEU 129 1HB LEU 129 45.166 4.927 -11.870 920 HG LEU 129 HG LEU 129 47.062 5.158 -13.693 921 1HD1 LEU 129 1HD1 LEU 129 45.223 4.242 -15.697 922 2HD1 LEU 129 2HD1 LEU 129 45.690 2.910 -14.637 923 3HD1 LEU 129 3HD1 LEU 129 46.928 3.847 -15.475 924 1HD2 LEU 129 1HD2 LEU 129 45.858 6.920 -14.342 925 2HD2 LEU 129 2HD2 LEU 129 44.632 6.353 -13.207 926 3HD2 LEU 129 3HD2 LEU 129 44.529 5.908 -14.911 927 H ASN 130 H ASN 130 46.921 4.801 -9.698 928 HA ASN 130 HA ASN 130 48.465 6.213 -8.815 929 1HB ASN 130 2HB ASN 130 50.028 4.189 -10.205 930 2HB ASN 130 1HB ASN 130 50.865 5.737 -10.135 931 1HD2 ASN 130 1HD2 ASN 130 50.653 6.802 -7.885 932 2HD2 ASN 130 2HD2 ASN 130 50.991 5.761 -6.549 933 H HIS 131 H HIS 131 48.178 8.282 -9.308 934 HA HIS 131 HA HIS 131 48.845 9.190 -12.027 935 1HB HIS 131 2HB HIS 131 47.350 11.108 -11.574 936 2HB HIS 131 1HB HIS 131 46.510 9.565 -11.454 937 HD1 HIS 131 1HD HIS 131 46.228 8.676 -8.877 938 HD2 HIS 131 2HD HIS 131 47.026 12.718 -9.417 939 HE1 HIS 131 1HE HIS 131 45.565 9.787 -6.721 940 HE2 HIS 131 2HE HIS 131 46.017 12.238 -7.084 941 H HIS 132 H HIS 132 50.923 8.816 -10.213 942 HA HIS 132 HA HIS 132 51.586 11.204 -8.819 943 1HB HIS 132 2HB HIS 132 52.602 8.611 -8.952 944 2HB HIS 132 1HB HIS 132 53.894 9.619 -9.598 945 HD1 HIS 132 1HD HIS 132 53.485 12.090 -7.746 946 HD2 HIS 132 2HD HIS 132 53.604 8.143 -6.452 947 HE1 HIS 132 1HE HIS 132 54.162 12.195 -5.325 948 HE2 HIS 132 2HE HIS 132 54.307 9.790 -4.587 949 H HIS 133 H HIS 133 54.262 11.629 -9.581 950 HA HIS 133 HA HIS 133 53.859 13.423 -11.776 951 1HB HIS 133 2HB HIS 133 55.948 12.904 -9.777 952 2HB HIS 133 1HB HIS 133 56.566 13.420 -11.343 953 HD1 HIS 133 1HD HIS 133 57.328 15.606 -10.010 954 HD2 HIS 133 2HD HIS 133 53.229 15.081 -10.440 955 HE1 HIS 133 1HE HIS 133 56.305 17.846 -9.499 956 HE2 HIS 133 2HE HIS 133 53.831 17.525 -9.853 957 H HIS 134 H HIS 134 55.544 10.356 -11.310 958 HA HIS 134 HA HIS 134 55.752 10.116 -14.227 959 1HB HIS 134 2HB HIS 134 57.956 10.460 -12.451 960 2HB HIS 134 1HB HIS 134 58.011 8.814 -13.074 961 HD1 HIS 134 1HD HIS 134 56.873 9.535 -15.938 962 HD2 HIS 134 2HD HIS 134 60.006 11.460 -14.000 963 HE1 HIS 134 1HE HIS 134 58.242 10.595 -17.762 964 HE2 HIS 134 2HE HIS 134 60.089 11.818 -16.561 965 H HIS 135 H HIS 135 54.857 8.298 -14.910 966 HA HIS 135 HA HIS 135 55.266 5.777 -13.671 967 1HB HIS 135 2HB HIS 135 53.540 6.877 -12.154 968 2HB HIS 135 1HB HIS 135 52.423 6.776 -13.512 969 HD1 HIS 135 1HD HIS 135 51.517 4.447 -14.132 970 HD2 HIS 135 2HD HIS 135 54.131 4.434 -10.904 971 HE1 HIS 135 1HE HIS 135 51.279 2.174 -13.085 972 HE2 HIS 135 2HE HIS 135 52.949 2.152 -11.198 Start of MODEL 9 1 1H ASP 1 1HT ASP 1 -6.188 -7.462 7.265 2 2H ASP 1 2HT ASP 1 -6.567 -7.698 8.896 3 3H ASP 1 3HT ASP 1 -6.582 -6.137 8.243 4 HA ASP 1 HA ASP 1 -8.790 -7.442 8.600 5 1HB ASP 1 2HB ASP 1 -8.557 -5.186 7.655 6 2HB ASP 1 1HB ASP 1 -8.118 -5.876 6.096 7 H VAL 2 H VAL 2 -6.844 -7.992 5.677 8 HA VAL 2 HA VAL 2 -8.362 -10.470 5.247 9 HB VAL 2 HB VAL 2 -8.422 -10.166 2.885 10 1HG1 VAL 2 1HG1 VAL 2 -9.847 -8.604 4.584 11 2HG1 VAL 2 2HG1 VAL 2 -10.111 -8.683 2.842 12 3HG1 VAL 2 3HG1 VAL 2 -9.127 -7.387 3.527 13 1HG2 VAL 2 1HG2 VAL 2 -7.358 -7.500 2.619 14 2HG2 VAL 2 2HG2 VAL 2 -6.933 -8.969 1.743 15 3HG2 VAL 2 3HG2 VAL 2 -6.145 -8.598 3.277 16 H GLN 3 H GLN 3 -5.780 -9.897 6.516 17 HA GLN 3 HA GLN 3 -3.702 -10.810 6.674 18 1HB GLN 3 2HB GLN 3 -3.607 -13.017 6.223 19 2HB GLN 3 1HB GLN 3 -5.294 -12.827 5.769 20 1HG GLN 3 2HG GLN 3 -4.734 -13.676 3.798 21 2HG GLN 3 1HG GLN 3 -3.923 -12.141 3.476 22 1HE2 GLN 3 1HE2 GLN 3 -1.894 -12.292 2.880 23 2HE2 GLN 3 2HE2 GLN 3 -0.807 -13.582 3.254 24 H LEU 4 H LEU 4 -1.631 -11.078 5.552 25 HA LEU 4 HA LEU 4 -1.476 -10.134 2.813 26 1HB LEU 4 2HB LEU 4 -0.178 -8.605 5.069 27 2HB LEU 4 1HB LEU 4 0.071 -8.304 3.360 28 HG LEU 4 HG LEU 4 -2.627 -8.094 4.654 29 1HD1 LEU 4 1HD1 LEU 4 -1.100 -6.526 5.762 30 2HD1 LEU 4 2HD1 LEU 4 -2.302 -5.691 4.769 31 3HD1 LEU 4 3HD1 LEU 4 -0.645 -5.876 4.187 32 1HD2 LEU 4 1HD2 LEU 4 -3.383 -7.438 2.662 33 2HD2 LEU 4 2HD2 LEU 4 -1.915 -8.178 2.024 34 3HD2 LEU 4 3HD2 LEU 4 -1.961 -6.444 2.345 35 H GLN 5 H GLN 5 0.625 -10.384 1.870 36 HA GLN 5 HA GLN 5 2.690 -11.704 3.416 37 1HB GLN 5 2HB GLN 5 1.132 -13.531 2.693 38 2HB GLN 5 1HB GLN 5 1.488 -13.107 1.024 39 1HG GLN 5 2HG GLN 5 2.780 -15.037 1.792 40 2HG GLN 5 1HG GLN 5 3.811 -13.684 1.331 41 1HE2 GLN 5 1HE2 GLN 5 2.823 -15.784 3.849 42 2HE2 GLN 5 2HE2 GLN 5 3.874 -15.174 5.076 43 H ALA 6 H ALA 6 4.046 -10.023 2.895 44 HA ALA 6 HA ALA 6 4.542 -9.501 0.054 45 1HB ALA 6 1HB ALA 6 4.034 -7.617 1.671 46 2HB ALA 6 2HB ALA 6 5.475 -7.423 0.672 47 3HB ALA 6 3HB ALA 6 5.632 -7.910 2.360 48 H SER 7 H SER 7 6.503 -9.763 -0.886 49 HA SER 7 HA SER 7 8.767 -10.650 0.720 50 1HB SER 7 2HB SER 7 8.066 -12.802 0.253 51 2HB SER 7 1HB SER 7 7.298 -12.334 -1.264 52 HG SER 7 HG SER 7 9.305 -13.569 -1.440 53 H GLY 8 H GLY 8 10.768 -10.276 -0.249 54 1HA GLY 8 2HA GLY 8 11.727 -9.876 -2.625 55 2HA GLY 8 1HA GLY 8 10.636 -8.502 -2.587 56 H GLY 9 H GLY 9 11.615 -8.887 0.513 57 1HA GLY 9 2HA GLY 9 13.146 -6.550 0.605 58 2HA GLY 9 1HA GLY 9 13.106 -7.778 1.864 59 H GLY 10 H GLY 10 14.818 -6.529 -0.881 60 1HA GLY 10 2HA GLY 10 16.901 -8.586 -0.525 61 2HA GLY 10 1HA GLY 10 16.683 -7.611 -1.967 62 H LEU 11 H LEU 11 19.091 -7.554 -1.462 63 HA LEU 11 HA LEU 11 19.727 -5.334 0.363 64 1HB LEU 11 2HB LEU 11 21.035 -7.845 -0.294 65 2HB LEU 11 1HB LEU 11 22.114 -6.482 -0.512 66 HG LEU 11 HG LEU 11 22.366 -7.446 1.706 67 1HD1 LEU 11 1HD1 LEU 11 22.938 -5.291 1.995 68 2HD1 LEU 11 2HD1 LEU 11 21.467 -5.246 2.963 69 3HD1 LEU 11 3HD1 LEU 11 21.440 -4.683 1.292 70 1HD2 LEU 11 1HD2 LEU 11 19.452 -6.763 2.062 71 2HD2 LEU 11 2HD2 LEU 11 20.538 -7.310 3.340 72 3HD2 LEU 11 3HD2 LEU 11 20.151 -8.381 1.994 73 H VAL 12 H VAL 12 20.117 -3.417 -0.571 74 HA VAL 12 HA VAL 12 21.250 -3.413 -3.293 75 HB VAL 12 HB VAL 12 19.955 -1.469 -3.888 76 1HG1 VAL 12 1HG1 VAL 12 18.046 -2.571 -4.406 77 2HG1 VAL 12 2HG1 VAL 12 17.816 -3.178 -2.765 78 3HG1 VAL 12 3HG1 VAL 12 18.992 -3.945 -3.833 79 1HG2 VAL 12 1HG2 VAL 12 18.081 -1.447 -1.684 80 2HG2 VAL 12 2HG2 VAL 12 18.967 -0.114 -2.425 81 3HG2 VAL 12 3HG2 VAL 12 19.720 -1.073 -1.150 82 H GLN 13 H GLN 13 21.845 -0.952 -3.781 83 HA GLN 13 HA GLN 13 23.338 0.115 -1.488 84 1HB GLN 13 2HB GLN 13 25.192 -0.684 -2.514 85 2HB GLN 13 1HB GLN 13 24.373 -0.886 -4.054 86 1HG GLN 13 2HG GLN 13 24.738 1.904 -3.496 87 2HG GLN 13 1HG GLN 13 26.271 1.046 -3.348 88 1HE2 GLN 13 1HE2 GLN 13 23.554 1.668 -5.488 89 2HE2 GLN 13 2HE2 GLN 13 24.407 1.376 -6.961 90 HA PRO 14 HA PRO 14 21.541 4.051 -2.294 91 1HB PRO 14 2HB PRO 14 24.374 5.022 -2.412 92 2HB PRO 14 1HB PRO 14 22.990 5.698 -1.541 93 1HG PRO 14 2HG PRO 14 24.803 4.277 -0.231 94 2HG PRO 14 1HG PRO 14 23.076 4.071 0.124 95 1HD PRO 14 2HD PRO 14 24.924 2.288 -1.388 96 2HD PRO 14 1HD PRO 14 23.543 1.872 -0.354 97 H GLY 15 H GLY 15 20.751 3.639 -4.373 98 1HA GLY 15 2HA GLY 15 20.792 4.986 -6.464 99 2HA GLY 15 1HA GLY 15 22.495 4.568 -6.572 100 H GLY 16 H GLY 16 20.600 2.017 -5.391 101 1HA GLY 16 2HA GLY 16 20.946 0.579 -7.900 102 2HA GLY 16 1HA GLY 16 20.503 -0.120 -6.352 103 H SER 17 H SER 17 18.733 -1.256 -7.005 104 HA SER 17 HA SER 17 16.297 0.207 -7.291 105 1HB SER 17 2HB SER 17 15.645 -0.443 -9.486 106 2HB SER 17 1HB SER 17 17.276 0.211 -9.642 107 HG SER 17 HG SER 17 17.687 -1.629 -10.566 108 H LEU 18 H LEU 18 15.078 -0.892 -5.914 109 HA LEU 18 HA LEU 18 15.207 -3.835 -5.955 110 1HB LEU 18 2HB LEU 18 15.907 -2.709 -3.836 111 2HB LEU 18 1HB LEU 18 14.285 -2.061 -3.695 112 HG LEU 18 HG LEU 18 13.419 -4.407 -3.616 113 1HD1 LEU 18 1HD1 LEU 18 16.319 -5.148 -3.268 114 2HD1 LEU 18 2HD1 LEU 18 15.388 -5.426 -4.741 115 3HD1 LEU 18 3HD1 LEU 18 14.926 -6.231 -3.241 116 1HD2 LEU 18 1HD2 LEU 18 14.513 -2.851 -1.621 117 2HD2 LEU 18 2HD2 LEU 18 15.258 -4.429 -1.365 118 3HD2 LEU 18 3HD2 LEU 18 13.501 -4.276 -1.392 119 H ARG 19 H ARG 19 13.287 -5.024 -5.867 120 HA ARG 19 HA ARG 19 10.815 -3.503 -6.353 121 1HB ARG 19 2HB ARG 19 11.618 -4.379 -8.489 122 2HB ARG 19 1HB ARG 19 11.717 -5.996 -7.807 123 1HG ARG 19 2HG ARG 19 9.326 -6.099 -7.562 124 2HG ARG 19 1HG ARG 19 9.167 -4.416 -8.072 125 1HD ARG 19 2HD ARG 19 9.788 -6.845 -9.682 126 2HD ARG 19 1HD ARG 19 8.668 -5.526 -10.023 127 HE ARG 19 HE ARG 19 10.779 -4.168 -10.390 128 1HH1 ARG 19 1HH1 ARG 19 10.601 -7.600 -10.949 129 2HH1 ARG 19 2HH1 ARG 19 11.847 -7.601 -12.152 130 1HH2 ARG 19 1HH2 ARG 19 12.420 -4.156 -11.977 131 2HH2 ARG 19 2HH2 ARG 19 12.881 -5.642 -12.736 132 H VAL 20 H VAL 20 9.651 -3.835 -4.568 133 HA VAL 20 HA VAL 20 9.595 -6.533 -3.406 134 HB VAL 20 HB VAL 20 8.801 -5.564 -1.367 135 1HG1 VAL 20 1HG1 VAL 20 10.982 -3.784 -2.435 136 2HG1 VAL 20 2HG1 VAL 20 11.223 -5.430 -1.851 137 3HG1 VAL 20 3HG1 VAL 20 10.659 -4.176 -0.747 138 1HG2 VAL 20 1HG2 VAL 20 8.408 -3.132 -1.138 139 2HG2 VAL 20 2HG2 VAL 20 7.272 -3.901 -2.246 140 3HG2 VAL 20 3HG2 VAL 20 8.619 -2.957 -2.880 141 H SER 21 H SER 21 7.641 -7.576 -2.969 142 HA SER 21 HA SER 21 5.278 -6.441 -4.314 143 1HB SER 21 2HB SER 21 4.671 -8.796 -4.931 144 2HB SER 21 1HB SER 21 6.131 -8.198 -5.718 145 HG SER 21 HG SER 21 6.838 -9.319 -3.419 146 H CYS 22 H CYS 22 3.214 -7.465 -3.633 147 HA CYS 22 HA CYS 22 3.178 -8.527 -0.915 148 1HB CYS 22 2HB CYS 22 2.800 -6.409 -0.150 149 2HB CYS 22 1HB CYS 22 2.250 -5.834 -1.718 150 H ALA 23 H ALA 23 1.689 -10.113 -0.742 151 HA ALA 23 HA ALA 23 -0.478 -10.147 -2.737 152 1HB ALA 23 1HB ALA 23 -0.368 -12.558 -2.808 153 2HB ALA 23 2HB ALA 23 0.917 -12.563 -1.598 154 3HB ALA 23 3HB ALA 23 1.211 -11.875 -3.196 155 H ALA 24 H ALA 24 -2.494 -10.367 -2.018 156 HA ALA 24 HA ALA 24 -2.943 -11.297 0.730 157 1HB ALA 24 1HB ALA 24 -4.845 -9.329 0.409 158 2HB ALA 24 2HB ALA 24 -3.395 -8.617 -0.299 159 3HB ALA 24 3HB ALA 24 -3.367 -9.201 1.366 160 H SER 25 H SER 25 -5.448 -11.470 1.076 161 HA SER 25 HA SER 25 -7.013 -12.076 -1.247 162 1HB SER 25 2HB SER 25 -5.904 -14.330 0.432 163 2HB SER 25 1HB SER 25 -7.339 -14.510 -0.577 164 HG SER 25 HG SER 25 -6.107 -14.622 -2.273 165 H GLY 26 H GLY 26 -9.061 -11.612 -0.746 166 1HA GLY 26 2HA GLY 26 -10.786 -12.468 1.016 167 2HA GLY 26 1HA GLY 26 -9.793 -11.499 2.093 168 H PHE 27 H PHE 27 -9.672 -9.901 -0.760 169 HA PHE 27 HA PHE 27 -12.255 -8.634 -0.694 170 1HB PHE 27 2HB PHE 27 -11.597 -6.460 0.016 171 2HB PHE 27 1HB PHE 27 -11.012 -7.586 1.229 172 HD1 PHE 27 1HD PHE 27 -8.565 -8.532 -0.401 173 HD2 PHE 27 2HD PHE 27 -10.132 -4.682 0.513 174 HE1 PHE 27 1HE PHE 27 -6.314 -7.569 -0.613 175 HE2 PHE 27 2HE PHE 27 -7.881 -3.713 0.300 176 HZ PHE 27 HZ PHE 27 -5.967 -5.157 -0.260 177 H THR 28 H THR 28 -9.294 -9.332 -2.144 178 HA THR 28 HA THR 28 -8.513 -9.106 -4.267 179 HB THR 28 HB THR 28 -11.260 -7.993 -4.872 180 HG1 THR 28 1HG THR 28 -11.568 -10.188 -5.659 181 1HG2 THR 28 1HG2 THR 28 -10.082 -7.374 -6.742 182 2HG2 THR 28 2HG2 THR 28 -10.527 -9.021 -7.190 183 3HG2 THR 28 3HG2 THR 28 -8.911 -8.682 -6.570 184 H PHE 29 H PHE 29 -7.408 -7.616 -5.498 185 HA PHE 29 HA PHE 29 -7.297 -4.926 -4.401 186 1HB PHE 29 2HB PHE 29 -5.545 -6.582 -6.172 187 2HB PHE 29 1HB PHE 29 -5.384 -4.831 -6.224 188 HD1 PHE 29 1HD PHE 29 -6.091 -6.990 -3.274 189 HD2 PHE 29 2HD PHE 29 -3.307 -4.463 -5.271 190 HE1 PHE 29 1HE PHE 29 -4.603 -7.085 -1.317 191 HE2 PHE 29 2HE PHE 29 -1.818 -4.554 -3.317 192 HZ PHE 29 HZ PHE 29 -2.463 -5.868 -1.338 193 H SER 30 H SER 30 -6.600 -3.298 -6.350 194 HA SER 30 HA SER 30 -7.375 -1.959 -8.012 195 1HB SER 30 2HB SER 30 -8.019 -4.693 -9.061 196 2HB SER 30 1HB SER 30 -8.541 -3.263 -9.953 197 HG SER 30 HG SER 30 -5.945 -3.095 -9.150 198 H SER 31 H SER 31 -9.315 -3.285 -5.836 199 HA SER 31 HA SER 31 -11.707 -1.933 -6.892 200 1HB SER 31 2HB SER 31 -11.849 -4.315 -5.047 201 2HB SER 31 1HB SER 31 -13.134 -3.611 -6.030 202 HG SER 31 HG SER 31 -12.052 -4.364 -7.877 203 H TYR 32 H TYR 32 -9.516 -2.497 -4.315 204 HA TYR 32 HA TYR 32 -11.051 -0.693 -2.558 205 1HB TYR 32 2HB TYR 32 -9.428 -3.127 -2.012 206 2HB TYR 32 1HB TYR 32 -9.336 -1.822 -0.837 207 HD1 TYR 32 1HD TYR 32 -11.187 -1.315 0.599 208 HD2 TYR 32 2HD TYR 32 -11.554 -4.290 -2.419 209 HE1 TYR 32 1HE TYR 32 -13.268 -2.106 1.642 210 HE2 TYR 32 2HE TYR 32 -13.636 -5.090 -1.386 211 HH TYR 32 HH TYR 32 -14.889 -3.626 1.599 212 H HIS 33 H HIS 33 -9.318 0.211 -0.837 213 HA HIS 33 HA HIS 33 -7.379 1.677 -2.459 214 1HB HIS 33 2HB HIS 33 -8.177 2.106 0.432 215 2HB HIS 33 1HB HIS 33 -7.202 3.189 -0.556 216 HD1 HIS 33 1HD HIS 33 -10.631 2.519 0.434 217 HD2 HIS 33 2HD HIS 33 -8.733 4.345 -2.780 218 HE1 HIS 33 1HE HIS 33 -12.402 3.902 -0.697 219 HE2 HIS 33 2HE HIS 33 -11.226 5.018 -2.625 220 H MET 34 H MET 34 -5.174 1.543 -2.138 221 HA MET 34 HA MET 34 -4.230 -0.221 0.005 222 1HB MET 34 2HB MET 34 -3.659 -0.521 -2.933 223 2HB MET 34 1HB MET 34 -2.636 -1.244 -1.699 224 1HG MET 34 2HG MET 34 -5.560 -1.783 -2.153 225 2HG MET 34 1HG MET 34 -4.222 -2.864 -2.538 226 1HE MET 34 1HE MET 34 -2.997 -4.129 0.843 227 2HE MET 34 2HE MET 34 -2.402 -2.533 0.389 228 3HE MET 34 3HE MET 34 -2.608 -3.781 -0.842 229 H ALA 35 H ALA 35 -1.923 -0.061 0.422 230 HA ALA 35 HA ALA 35 -0.392 2.055 -0.739 231 1HB ALA 35 1HB ALA 35 -0.212 3.369 1.397 232 2HB ALA 35 2HB ALA 35 -1.608 2.466 1.982 233 3HB ALA 35 3HB ALA 35 -1.759 3.496 0.559 234 H TRP 36 H TRP 36 1.749 2.197 0.131 235 HA TRP 36 HA TRP 36 2.545 -0.245 1.551 236 1HB TRP 36 2HB TRP 36 3.862 1.429 -0.544 237 2HB TRP 36 1HB TRP 36 4.876 0.528 0.579 238 HD1 TRP 36 HD TRP 36 2.219 -0.013 -2.136 239 HE1 TRP 36 1HE TRP 36 2.404 -2.415 -3.024 240 HE3 TRP 36 3HE TRP 36 5.727 -1.806 1.128 241 HZ2 TRP 36 2HZ TRP 36 3.861 -4.760 -2.429 242 HZ3 TRP 36 3HZ TRP 36 6.457 -4.150 0.898 243 HH2 TRP 36 HH TRP 36 5.543 -5.590 -0.845 244 H VAL 37 H VAL 37 3.858 -0.177 3.303 245 HA VAL 37 HA VAL 37 4.466 2.474 4.425 246 HB VAL 37 HB VAL 37 4.055 1.504 6.686 247 1HG1 VAL 37 1HG1 VAL 37 2.160 2.634 6.441 248 2HG1 VAL 37 2HG1 VAL 37 1.403 1.140 5.880 249 3HG1 VAL 37 3HG1 VAL 37 2.104 2.268 4.716 250 1HG2 VAL 37 1HG2 VAL 37 2.288 -0.604 5.856 251 2HG2 VAL 37 2HG2 VAL 37 3.631 -0.651 6.998 252 3HG2 VAL 37 3HG2 VAL 37 3.926 -0.908 5.278 253 H ARG 38 H ARG 38 6.140 2.356 6.164 254 HA ARG 38 HA ARG 38 8.014 0.139 5.912 255 1HB ARG 38 2HB ARG 38 8.940 1.537 4.272 256 2HB ARG 38 1HB ARG 38 8.580 2.999 5.176 257 1HG ARG 38 2HG ARG 38 10.271 1.987 6.896 258 2HG ARG 38 1HG ARG 38 10.825 1.070 5.494 259 1HD ARG 38 2HD ARG 38 12.126 3.090 5.704 260 2HD ARG 38 1HD ARG 38 11.115 3.187 4.263 261 HE ARG 38 HE ARG 38 9.650 4.392 6.236 262 1HH1 ARG 38 1HH1 ARG 38 12.804 4.868 4.831 263 2HH1 ARG 38 2HH1 ARG 38 12.830 6.570 5.150 264 1HH2 ARG 38 1HH2 ARG 38 9.676 6.633 6.656 265 2HH2 ARG 38 2HH2 ARG 38 11.054 7.573 6.187 266 H GLN 39 H GLN 39 9.483 -0.017 7.669 267 HA GLN 39 HA GLN 39 8.946 1.770 9.933 268 1HB GLN 39 2HB GLN 39 7.846 -0.691 9.832 269 2HB GLN 39 1HB GLN 39 9.394 -1.087 10.566 270 1HG GLN 39 2HG GLN 39 8.085 1.232 11.770 271 2HG GLN 39 1HG GLN 39 7.156 -0.264 11.894 272 1HE2 GLN 39 1HE2 GLN 39 10.357 1.105 12.474 273 2HE2 GLN 39 2HE2 GLN 39 10.740 0.095 13.822 274 H ALA 40 H ALA 40 10.843 2.779 10.102 275 HA ALA 40 HA ALA 40 13.357 1.481 9.608 276 1HB ALA 40 1HB ALA 40 14.122 3.776 10.724 277 2HB ALA 40 2HB ALA 40 12.465 4.218 10.310 278 3HB ALA 40 3HB ALA 40 13.574 3.674 9.051 279 HA PRO 41 HA PRO 41 14.496 -0.282 13.483 280 1HB PRO 41 2HB PRO 41 16.888 1.508 13.301 281 2HB PRO 41 1HB PRO 41 16.803 -0.222 13.659 282 1HG PRO 41 2HG PRO 41 17.538 0.627 11.246 283 2HG PRO 41 1HG PRO 41 16.509 -0.804 11.435 284 1HD PRO 41 2HD PRO 41 15.800 1.928 10.505 285 2HD PRO 41 1HD PRO 41 15.087 0.363 10.068 286 H GLY 42 H GLY 42 13.244 0.408 15.130 287 1HA GLY 42 2HA GLY 42 13.035 1.532 17.189 288 2HA GLY 42 1HA GLY 42 14.119 2.780 16.593 289 H LYS 43 H LYS 43 11.091 1.436 15.301 290 HA LYS 43 HA LYS 43 9.697 3.932 15.787 291 1HB LYS 43 2HB LYS 43 11.020 3.664 13.384 292 2HB LYS 43 1HB LYS 43 9.399 3.114 12.989 293 1HG LYS 43 2HG LYS 43 8.475 5.168 13.286 294 2HG LYS 43 1HG LYS 43 9.651 5.643 14.514 295 1HD LYS 43 2HD LYS 43 10.828 5.197 11.876 296 2HD LYS 43 1HD LYS 43 9.630 6.492 11.902 297 1HE LYS 43 2HE LYS 43 11.581 7.617 12.421 298 2HE LYS 43 1HE LYS 43 10.903 7.288 14.014 299 1HZ LYS 43 1HZ LYS 43 12.801 5.387 12.811 300 2HZ LYS 43 2HZ LYS 43 12.467 5.674 14.443 301 3HZ LYS 43 3HZ LYS 43 13.380 6.790 13.560 302 H GLY 44 H GLY 44 7.465 3.637 14.341 303 1HA GLY 44 2HA GLY 44 6.430 1.021 15.240 304 2HA GLY 44 1HA GLY 44 5.476 2.496 15.164 305 H LEU 45 H LEU 45 6.274 3.408 12.655 306 HA LEU 45 HA LEU 45 6.351 1.855 10.469 307 1HB LEU 45 2HB LEU 45 4.201 0.851 11.630 308 2HB LEU 45 1HB LEU 45 3.416 2.228 10.885 309 HG LEU 45 HG LEU 45 3.838 1.444 8.709 310 1HD1 LEU 45 1HD1 LEU 45 5.336 -0.376 8.163 311 2HD1 LEU 45 2HD1 LEU 45 5.725 -0.598 9.869 312 3HD1 LEU 45 3HD1 LEU 45 6.207 0.882 9.041 313 1HD2 LEU 45 1HD2 LEU 45 3.226 -0.896 10.501 314 2HD2 LEU 45 2HD2 LEU 45 3.032 -0.910 8.748 315 3HD2 LEU 45 3HD2 LEU 45 2.074 0.197 9.732 316 H GLU 46 H GLU 46 5.391 2.873 8.491 317 HA GLU 46 HA GLU 46 4.411 5.572 8.736 318 1HB GLU 46 2HB GLU 46 6.462 6.516 8.762 319 2HB GLU 46 1HB GLU 46 7.253 5.029 8.261 320 1HG GLU 46 2HG GLU 46 7.275 5.616 6.087 321 2HG GLU 46 1HG GLU 46 5.693 6.395 6.170 322 H TRP 47 H TRP 47 3.129 6.024 7.036 323 HA TRP 47 HA TRP 47 2.954 4.076 4.908 324 1HB TRP 47 2HB TRP 47 0.810 4.754 5.393 325 2HB TRP 47 1HB TRP 47 1.309 6.391 5.816 326 HD1 TRP 47 HD TRP 47 0.727 4.215 2.659 327 HE1 TRP 47 1HE TRP 47 0.086 5.789 0.731 328 HE3 TRP 47 3HE TRP 47 1.294 8.712 5.038 329 HZ2 TRP 47 2HZ TRP 47 -0.152 8.565 0.271 330 HZ3 TRP 47 3HZ TRP 47 0.841 10.777 3.781 331 HH2 TRP 47 HH TRP 47 0.133 10.704 1.446 332 H VAL 48 H VAL 48 4.409 4.183 3.309 333 HA VAL 48 HA VAL 48 5.717 6.660 2.667 334 HB VAL 48 HB VAL 48 6.706 5.248 0.754 335 1HG1 VAL 48 1HG1 VAL 48 7.415 5.664 3.392 336 2HG1 VAL 48 2HG1 VAL 48 8.465 5.063 2.108 337 3HG1 VAL 48 3HG1 VAL 48 7.622 3.927 3.163 338 1HG2 VAL 48 1HG2 VAL 48 5.402 3.375 0.529 339 2HG2 VAL 48 2HG2 VAL 48 5.200 3.181 2.275 340 3HG2 VAL 48 3HG2 VAL 48 6.738 2.774 1.513 341 H SER 49 H SER 49 3.848 4.367 0.688 342 HA SER 49 HA SER 49 2.908 6.700 -0.859 343 1HB SER 49 2HB SER 49 3.344 4.117 -2.272 344 2HB SER 49 1HB SER 49 3.466 5.769 -2.880 345 HG SER 49 HG SER 49 5.502 4.590 -2.571 346 H THR 50 H THR 50 0.916 6.539 -1.915 347 HA THR 50 HA THR 50 -0.827 4.319 -1.079 348 HB THR 50 HB THR 50 -1.131 7.175 -0.483 349 HG1 THR 50 1HG THR 50 -2.889 5.280 0.528 350 1HG2 THR 50 1HG2 THR 50 -2.714 7.043 -2.373 351 2HG2 THR 50 2HG2 THR 50 -3.534 7.303 -0.834 352 3HG2 THR 50 3HG2 THR 50 -3.533 5.702 -1.572 353 H ILE 51 H ILE 51 -2.554 3.849 -2.533 354 HA ILE 51 HA ILE 51 -2.367 5.151 -5.159 355 HB ILE 51 HB ILE 51 -1.119 3.003 -5.183 356 1HG1 ILE 51 2HG1 ILE 51 -3.362 2.358 -6.954 357 2HG1 ILE 51 1HG1 ILE 51 -2.845 4.039 -7.053 358 1HG2 ILE 51 1HG2 ILE 51 -3.259 1.167 -5.344 359 2HG2 ILE 51 2HG2 ILE 51 -3.444 2.064 -3.837 360 3HG2 ILE 51 3HG2 ILE 51 -1.939 1.209 -4.174 361 1HD1 ILE 51 1HD1 ILE 51 -1.577 2.982 -8.672 362 2HD1 ILE 51 2HD1 ILE 51 -1.304 1.557 -7.671 363 3HD1 ILE 51 3HD1 ILE 51 -0.479 3.070 -7.295 364 H ASN 52 H ASN 52 -4.272 5.488 -6.200 365 HA ASN 52 HA ASN 52 -6.705 4.428 -4.922 366 1HB ASN 52 2HB ASN 52 -6.505 6.759 -4.314 367 2HB ASN 52 1HB ASN 52 -6.224 7.216 -5.992 368 1HD2 ASN 52 1HD2 ASN 52 -7.924 8.414 -6.511 369 2HD2 ASN 52 2HD2 ASN 52 -9.576 7.940 -6.338 370 HA PRO 53 HA PRO 53 -7.183 2.960 -9.166 371 1HB PRO 53 2HB PRO 53 -9.370 1.426 -8.674 372 2HB PRO 53 1HB PRO 53 -7.726 0.906 -8.288 373 1HG PRO 53 2HG PRO 53 -9.806 2.096 -6.490 374 2HG PRO 53 1HG PRO 53 -8.725 0.721 -6.193 375 1HD PRO 53 2HD PRO 53 -8.224 3.183 -5.206 376 2HD PRO 53 1HD PRO 53 -6.923 2.082 -5.704 377 H GLY 54 H GLY 54 -9.060 2.911 -10.714 378 1HA GLY 54 2HA GLY 54 -10.993 3.811 -11.633 379 2HA GLY 54 1HA GLY 54 -11.324 4.597 -10.097 380 H ASP 55 H ASP 55 -8.187 5.278 -10.926 381 HA ASP 55 HA ASP 55 -8.659 7.398 -12.798 382 1HB ASP 55 2HB ASP 55 -9.358 8.134 -10.327 383 2HB ASP 55 1HB ASP 55 -7.629 8.443 -10.210 384 H GLY 56 H GLY 56 -6.388 6.723 -10.114 385 1HA GLY 56 2HA GLY 56 -4.251 5.628 -10.793 386 2HA GLY 56 1HA GLY 56 -4.217 6.785 -12.117 387 H SER 57 H SER 57 -5.482 8.493 -9.676 388 HA SER 57 HA SER 57 -3.247 10.116 -9.278 389 1HB SER 57 2HB SER 57 -5.856 9.795 -7.822 390 2HB SER 57 1HB SER 57 -4.613 10.867 -7.180 391 HG SER 57 HG SER 57 -4.623 11.865 -9.318 392 H THR 58 H THR 58 -1.578 10.086 -7.881 393 HA THR 58 HA THR 58 -1.583 7.993 -5.806 394 HB THR 58 HB THR 58 1.099 8.585 -6.532 395 HG1 THR 58 1HG THR 58 0.267 7.443 -8.803 396 1HG2 THR 58 1HG2 THR 58 1.063 6.163 -7.201 397 2HG2 THR 58 2HG2 THR 58 -0.673 6.169 -6.882 398 3HG2 THR 58 3HG2 THR 58 0.467 6.492 -5.574 399 H TYR 59 H TYR 59 -0.933 8.551 -3.810 400 HA TYR 59 HA TYR 59 0.170 11.254 -3.420 401 1HB TYR 59 2HB TYR 59 -1.643 9.954 -1.403 402 2HB TYR 59 1HB TYR 59 -1.238 11.658 -1.586 403 HD1 TYR 59 1HD TYR 59 -3.256 8.888 -2.939 404 HD2 TYR 59 2HD TYR 59 -2.463 13.067 -3.089 405 HE1 TYR 59 1HE TYR 59 -5.311 9.227 -4.249 406 HE2 TYR 59 2HE TYR 59 -4.516 13.416 -4.399 407 HH TYR 59 HH TYR 59 -5.996 12.095 -5.893 408 H TYR 60 H TYR 60 1.912 11.403 -2.115 409 HA TYR 60 HA TYR 60 2.766 8.946 -0.728 410 1HB TYR 60 2HB TYR 60 4.373 11.061 -2.157 411 2HB TYR 60 1HB TYR 60 5.108 9.943 -1.015 412 HD1 TYR 60 1HD TYR 60 6.294 8.284 -2.074 413 HD2 TYR 60 2HD TYR 60 2.639 9.597 -3.812 414 HE1 TYR 60 1HE TYR 60 6.557 6.624 -3.870 415 HE2 TYR 60 2HE TYR 60 2.891 7.941 -5.611 416 HH TYR 60 HH TYR 60 4.779 6.686 -6.708 417 H ALA 61 H ALA 61 4.488 9.519 1.009 418 HA ALA 61 HA ALA 61 3.189 11.221 2.922 419 1HB ALA 61 1HB ALA 61 4.814 9.000 3.089 420 2HB ALA 61 2HB ALA 61 4.303 10.014 4.439 421 3HB ALA 61 3HB ALA 61 5.855 10.307 3.655 422 H ASP 62 H ASP 62 4.774 12.144 0.380 423 HA ASP 62 HA ASP 62 5.724 14.118 -0.234 424 1HB ASP 62 2HB ASP 62 4.569 14.841 2.104 425 2HB ASP 62 1HB ASP 62 6.264 15.112 2.498 426 H SER 63 H SER 63 7.187 12.563 2.592 427 HA SER 63 HA SER 63 9.847 13.359 1.723 428 1HB SER 63 2HB SER 63 8.699 12.812 4.219 429 2HB SER 63 1HB SER 63 9.805 11.471 3.923 430 HG SER 63 HG SER 63 10.456 14.232 3.777 431 H VAL 64 H VAL 64 7.968 11.330 0.370 432 HA VAL 64 HA VAL 64 10.055 9.323 -0.066 433 HB VAL 64 HB VAL 64 8.078 7.631 -0.283 434 1HG1 VAL 64 1HG1 VAL 64 8.270 7.586 2.449 435 2HG1 VAL 64 2HG1 VAL 64 9.716 8.481 1.981 436 3HG1 VAL 64 3HG1 VAL 64 9.429 6.868 1.330 437 1HG2 VAL 64 1HG2 VAL 64 6.934 9.623 1.671 438 2HG2 VAL 64 2HG2 VAL 64 6.270 8.032 1.297 439 3HG2 VAL 64 3HG2 VAL 64 6.308 9.285 0.057 440 H LYS 65 H LYS 65 7.917 11.535 -1.327 441 HA LYS 65 HA LYS 65 7.103 10.242 -3.718 442 1HB LYS 65 2HB LYS 65 6.176 12.414 -2.714 443 2HB LYS 65 1HB LYS 65 7.565 13.209 -3.444 444 1HG LYS 65 2HG LYS 65 6.159 13.500 -5.170 445 2HG LYS 65 1HG LYS 65 6.627 11.847 -5.570 446 1HD LYS 65 2HD LYS 65 4.503 11.215 -5.377 447 2HD LYS 65 1HD LYS 65 4.527 11.695 -3.678 448 1HE LYS 65 2HE LYS 65 2.781 12.953 -4.530 449 2HE LYS 65 1HE LYS 65 4.133 14.081 -4.598 450 1HZ LYS 65 1HZ LYS 65 2.575 12.981 -6.730 451 2HZ LYS 65 2HZ LYS 65 4.235 12.797 -6.993 452 3HZ LYS 65 3HZ LYS 65 3.587 14.336 -6.724 453 H GLY 66 H GLY 66 8.102 10.066 -5.690 454 1HA GLY 66 2HA GLY 66 9.787 10.210 -7.271 455 2HA GLY 66 1HA GLY 66 10.486 11.528 -6.339 456 H ARG 67 H ARG 67 9.985 9.149 -4.194 457 HA ARG 67 HA ARG 67 12.762 8.225 -4.349 458 1HB ARG 67 2HB ARG 67 11.568 9.267 -2.244 459 2HB ARG 67 1HB ARG 67 10.924 7.640 -2.054 460 1HG ARG 67 2HG ARG 67 12.834 7.691 -0.717 461 2HG ARG 67 1HG ARG 67 13.339 6.847 -2.184 462 1HD ARG 67 2HD ARG 67 15.036 8.433 -1.574 463 2HD ARG 67 1HD ARG 67 14.236 8.979 -3.048 464 HE ARG 67 HE ARG 67 13.425 10.065 -0.441 465 1HH1 ARG 67 1HH1 ARG 67 14.760 10.521 -3.629 466 2HH1 ARG 67 2HH1 ARG 67 14.658 12.248 -3.564 467 1HH2 ARG 67 1HH2 ARG 67 13.280 12.339 -0.353 468 2HH2 ARG 67 2HH2 ARG 67 13.817 13.280 -1.704 469 H PHE 68 H PHE 68 9.673 6.856 -3.286 470 HA PHE 68 HA PHE 68 10.480 4.265 -4.412 471 1HB PHE 68 2HB PHE 68 8.416 4.976 -2.321 472 2HB PHE 68 1HB PHE 68 8.687 3.347 -2.926 473 HD1 PHE 68 1HD PHE 68 8.785 3.795 -0.101 474 HD2 PHE 68 2HD PHE 68 11.864 4.345 -2.996 475 HE1 PHE 68 1HE PHE 68 10.491 3.460 1.644 476 HE2 PHE 68 2HE PHE 68 13.567 4.005 -1.250 477 HZ PHE 68 HZ PHE 68 12.877 3.562 1.069 478 H THR 69 H THR 69 8.768 2.963 -5.433 479 HA THR 69 HA THR 69 6.755 4.651 -6.773 480 HB THR 69 HB THR 69 8.409 2.411 -7.942 481 HG1 THR 69 1HG THR 69 8.044 5.157 -8.621 482 1HG2 THR 69 1HG2 THR 69 7.075 2.488 -9.927 483 2HG2 THR 69 2HG2 THR 69 6.124 3.837 -9.305 484 3HG2 THR 69 3HG2 THR 69 5.974 2.241 -8.570 485 H ILE 70 H ILE 70 4.818 4.133 -6.108 486 HA ILE 70 HA ILE 70 4.253 1.376 -5.300 487 HB ILE 70 HB ILE 70 3.800 3.232 -3.696 488 1HG1 ILE 70 2HG1 ILE 70 1.992 1.106 -4.517 489 2HG1 ILE 70 1HG1 ILE 70 2.498 1.594 -2.905 490 1HG2 ILE 70 1HG2 ILE 70 3.067 4.857 -5.446 491 2HG2 ILE 70 2HG2 ILE 70 2.008 4.770 -4.038 492 3HG2 ILE 70 3HG2 ILE 70 1.540 3.979 -5.544 493 1HD1 ILE 70 1HD1 ILE 70 0.313 2.919 -4.484 494 2HD1 ILE 70 2HD1 ILE 70 0.772 3.258 -2.815 495 3HD1 ILE 70 3HD1 ILE 70 0.067 1.697 -3.237 496 H SER 71 H SER 71 3.189 0.111 -6.647 497 HA SER 71 HA SER 71 0.986 1.069 -8.232 498 1HB SER 71 2HB SER 71 2.763 1.685 -9.745 499 2HB SER 71 1HB SER 71 3.525 0.103 -9.569 500 HG SER 71 HG SER 71 2.233 0.372 -11.500 501 H ARG 72 H ARG 72 -0.164 -0.666 -9.296 502 HA ARG 72 HA ARG 72 0.568 -3.377 -8.469 503 1HB ARG 72 2HB ARG 72 -1.928 -3.672 -7.830 504 2HB ARG 72 1HB ARG 72 -0.836 -2.921 -6.675 505 1HG ARG 72 2HG ARG 72 -1.619 -0.696 -7.532 506 2HG ARG 72 1HG ARG 72 -2.851 -1.568 -8.447 507 1HD ARG 72 2HD ARG 72 -3.334 -2.656 -6.094 508 2HD ARG 72 1HD ARG 72 -2.583 -1.172 -5.508 509 HE ARG 72 HE ARG 72 -4.396 -0.237 -7.249 510 1HH1 ARG 72 1HH1 ARG 72 -4.633 -2.547 -4.652 511 2HH1 ARG 72 2HH1 ARG 72 -6.294 -2.189 -4.314 512 1HH2 ARG 72 1HH2 ARG 72 -6.585 0.238 -6.813 513 2HH2 ARG 72 2HH2 ARG 72 -7.403 -0.610 -5.543 514 H ASP 73 H ASP 73 -1.160 -4.965 -9.385 515 HA ASP 73 HA ASP 73 -1.619 -4.191 -12.182 516 1HB ASP 73 2HB ASP 73 -0.405 -6.463 -11.033 517 2HB ASP 73 1HB ASP 73 -1.936 -7.015 -11.708 518 H ASN 74 H ASN 74 -3.474 -5.646 -13.160 519 HA ASN 74 HA ASN 74 -5.823 -5.188 -11.455 520 1HB ASN 74 2HB ASN 74 -6.361 -5.784 -14.261 521 2HB ASN 74 1HB ASN 74 -6.912 -4.433 -13.274 522 1HD2 ASN 74 1HD2 ASN 74 -4.479 -5.598 -15.446 523 2HD2 ASN 74 2HD2 ASN 74 -3.718 -4.075 -15.741 524 H ALA 75 H ALA 75 -7.571 -6.723 -11.519 525 HA ALA 75 HA ALA 75 -8.430 -8.811 -11.266 526 1HB ALA 75 1HB ALA 75 -6.812 -9.061 -13.755 527 2HB ALA 75 2HB ALA 75 -8.558 -9.166 -13.528 528 3HB ALA 75 3HB ALA 75 -7.522 -10.510 -13.046 529 H LYS 76 H LYS 76 -5.990 -8.068 -9.798 530 HA LYS 76 HA LYS 76 -5.374 -10.687 -8.776 531 1HB LYS 76 2HB LYS 76 -3.700 -9.749 -10.770 532 2HB LYS 76 1HB LYS 76 -2.860 -9.299 -9.294 533 1HG LYS 76 2HG LYS 76 -2.885 -11.591 -8.532 534 2HG LYS 76 1HG LYS 76 -3.828 -12.075 -9.943 535 1HD LYS 76 2HD LYS 76 -1.935 -11.236 -11.368 536 2HD LYS 76 1HD LYS 76 -0.998 -11.041 -9.886 537 1HE LYS 76 2HE LYS 76 -0.350 -13.138 -10.642 538 2HE LYS 76 1HE LYS 76 -1.594 -13.511 -9.449 539 1HZ LYS 76 1HZ LYS 76 -2.318 -13.205 -12.287 540 2HZ LYS 76 2HZ LYS 76 -3.102 -14.086 -11.075 541 3HZ LYS 76 3HZ LYS 76 -1.657 -14.663 -11.736 542 H ASN 77 H ASN 77 -4.821 -10.629 -6.662 543 HA ASN 77 HA ASN 77 -4.891 -8.044 -5.340 544 1HB ASN 77 2HB ASN 77 -4.519 -9.854 -3.334 545 2HB ASN 77 1HB ASN 77 -6.092 -9.374 -3.955 546 1HD2 ASN 77 1HD2 ASN 77 -7.294 -11.136 -3.937 547 2HD2 ASN 77 2HD2 ASN 77 -6.859 -12.663 -4.617 548 H THR 78 H THR 78 -2.827 -7.265 -6.121 549 HA THR 78 HA THR 78 -0.657 -8.123 -4.396 550 HB THR 78 HB THR 78 0.568 -7.861 -6.928 551 HG1 THR 78 1HG THR 78 -0.916 -8.658 -8.211 552 1HG2 THR 78 1HG2 THR 78 0.460 -9.687 -4.700 553 2HG2 THR 78 2HG2 THR 78 1.773 -9.394 -5.842 554 3HG2 THR 78 3HG2 THR 78 0.519 -10.575 -6.224 555 H LEU 79 H LEU 79 0.835 -6.584 -3.968 556 HA LEU 79 HA LEU 79 0.528 -3.972 -5.300 557 1HB LEU 79 2HB LEU 79 0.154 -4.626 -2.570 558 2HB LEU 79 1HB LEU 79 1.655 -3.729 -2.665 559 HG LEU 79 HG LEU 79 -1.067 -2.806 -3.556 560 1HD1 LEU 79 1HD1 LEU 79 -1.221 -2.126 -1.451 561 2HD1 LEU 79 2HD1 LEU 79 0.035 -0.950 -1.833 562 3HD1 LEU 79 3HD1 LEU 79 0.469 -2.508 -1.130 563 1HD2 LEU 79 1HD2 LEU 79 0.953 -0.766 -3.568 564 2HD2 LEU 79 2HD2 LEU 79 -0.186 -1.228 -4.832 565 3HD2 LEU 79 3HD2 LEU 79 1.359 -2.067 -4.688 566 H TYR 80 H TYR 80 2.395 -3.013 -5.997 567 HA TYR 80 HA TYR 80 4.921 -4.348 -5.286 568 1HB TYR 80 2HB TYR 80 4.030 -3.367 -7.997 569 2HB TYR 80 1HB TYR 80 5.682 -3.844 -7.625 570 HD1 TYR 80 1HD TYR 80 6.315 -6.120 -7.611 571 HD2 TYR 80 2HD TYR 80 2.201 -5.073 -7.847 572 HE1 TYR 80 1HE TYR 80 5.760 -8.456 -8.132 573 HE2 TYR 80 2HE TYR 80 1.628 -7.404 -8.367 574 HH TYR 80 HH TYR 80 2.949 -9.794 -7.803 575 H LEU 81 H LEU 81 6.686 -3.090 -4.931 576 HA LEU 81 HA LEU 81 6.415 -0.205 -5.356 577 1HB LEU 81 2HB LEU 81 5.960 -0.827 -2.945 578 2HB LEU 81 1HB LEU 81 7.624 -1.369 -2.855 579 HG LEU 81 HG LEU 81 8.108 1.086 -3.749 580 1HD1 LEU 81 1HD1 LEU 81 6.114 2.123 -1.985 581 2HD1 LEU 81 2HD1 LEU 81 5.338 1.202 -3.280 582 3HD1 LEU 81 3HD1 LEU 81 6.436 2.527 -3.674 583 1HD2 LEU 81 1HD2 LEU 81 9.027 1.360 -1.745 584 2HD2 LEU 81 2HD2 LEU 81 8.361 -0.227 -1.353 585 3HD2 LEU 81 3HD2 LEU 81 7.474 1.236 -0.920 586 H GLN 82 H GLN 82 8.131 0.694 -6.286 587 HA GLN 82 HA GLN 82 10.545 -0.950 -6.574 588 1HB GLN 82 2HB GLN 82 9.183 0.004 -8.587 589 2HB GLN 82 1HB GLN 82 9.977 1.520 -8.186 590 1HG GLN 82 2HG GLN 82 11.314 0.577 -9.839 591 2HG GLN 82 1HG GLN 82 12.163 0.224 -8.335 592 1HE2 GLN 82 1HE2 GLN 82 13.222 -1.582 -8.951 593 2HE2 GLN 82 2HE2 GLN 82 12.447 -3.053 -9.419 594 H MET 83 H MET 83 11.900 -0.490 -4.965 595 HA MET 83 HA MET 83 12.058 2.168 -3.850 596 1HB MET 83 2HB MET 83 13.360 -0.463 -3.243 597 2HB MET 83 1HB MET 83 13.990 1.018 -2.531 598 1HG MET 83 2HG MET 83 11.811 1.469 -1.531 599 2HG MET 83 1HG MET 83 11.173 -0.007 -2.253 600 1HE MET 83 1HE MET 83 10.352 -0.924 0.181 601 2HE MET 83 2HE MET 83 11.423 -2.251 0.632 602 3HE MET 83 3HE MET 83 10.938 -2.041 -1.051 603 H ASN 84 H ASN 84 12.954 3.617 -5.174 604 HA ASN 84 HA ASN 84 15.644 3.028 -6.233 605 1HB ASN 84 2HB ASN 84 14.377 5.334 -7.454 606 2HB ASN 84 1HB ASN 84 15.055 3.899 -8.215 607 1HD2 ASN 84 1HD2 ASN 84 13.725 2.309 -8.904 608 2HD2 ASN 84 2HD2 ASN 84 12.002 2.383 -8.814 609 H SER 85 H SER 85 16.915 5.165 -6.588 610 HA SER 85 HA SER 85 18.089 6.837 -5.578 611 1HB SER 85 2HB SER 85 15.228 7.557 -5.144 612 2HB SER 85 1HB SER 85 16.450 8.490 -4.280 613 HG SER 85 HG SER 85 17.464 8.665 -6.467 614 H LEU 86 H LEU 86 18.259 4.531 -4.181 615 HA LEU 86 HA LEU 86 17.513 4.740 -1.451 616 1HB LEU 86 2HB LEU 86 19.733 3.077 -2.642 617 2HB LEU 86 1HB LEU 86 18.966 2.831 -1.087 618 HG LEU 86 HG LEU 86 17.984 1.194 -2.390 619 1HD1 LEU 86 1HD1 LEU 86 16.348 2.971 -1.374 620 2HD1 LEU 86 2HD1 LEU 86 15.745 1.673 -2.405 621 3HD1 LEU 86 3HD1 LEU 86 15.981 3.290 -3.069 622 1HD2 LEU 86 1HD2 LEU 86 18.148 3.189 -4.611 623 2HD2 LEU 86 2HD2 LEU 86 17.057 1.808 -4.722 624 3HD2 LEU 86 3HD2 LEU 86 18.792 1.549 -4.529 625 H LYS 87 H LYS 87 18.894 5.030 0.379 626 HA LYS 87 HA LYS 87 21.504 6.213 -0.020 627 1HB LYS 87 2HB LYS 87 20.918 8.257 1.294 628 2HB LYS 87 1HB LYS 87 20.170 8.185 -0.296 629 1HG LYS 87 2HG LYS 87 18.450 6.991 1.674 630 2HG LYS 87 1HG LYS 87 18.916 8.623 2.158 631 1HD LYS 87 2HD LYS 87 18.342 8.751 -0.589 632 2HD LYS 87 1HD LYS 87 17.055 7.787 0.139 633 1HE LYS 87 2HE LYS 87 16.678 10.292 0.047 634 2HE LYS 87 1HE LYS 87 16.453 9.520 1.616 635 1HZ LYS 87 1HZ LYS 87 17.991 11.692 1.152 636 2HZ LYS 87 2HZ LYS 87 19.137 10.448 1.159 637 3HZ LYS 87 3HZ LYS 87 18.127 10.676 2.497 638 H SER 88 H SER 88 18.898 5.631 2.337 639 HA SER 88 HA SER 88 20.465 3.952 3.970 640 1HB SER 88 2HB SER 88 21.300 6.470 4.359 641 2HB SER 88 1HB SER 88 19.930 6.466 5.472 642 HG SER 88 HG SER 88 21.198 5.454 6.792 643 H GLU 89 H GLU 89 17.919 6.415 4.137 644 HA GLU 89 HA GLU 89 16.387 5.271 6.156 645 1HB GLU 89 2HB GLU 89 14.801 6.863 5.658 646 2HB GLU 89 1HB GLU 89 16.232 7.580 4.939 647 1HG GLU 89 2HG GLU 89 15.556 6.779 2.746 648 2HG GLU 89 1HG GLU 89 14.138 6.008 3.453 649 H ASP 90 H ASP 90 16.779 4.281 2.891 650 HA ASP 90 HA ASP 90 14.318 2.976 2.457 651 1HB ASP 90 2HB ASP 90 16.483 1.550 1.200 652 2HB ASP 90 1HB ASP 90 15.238 2.551 0.462 653 H THR 91 H THR 91 17.234 2.030 4.143 654 HA THR 91 HA THR 91 16.697 -0.735 4.360 655 HB THR 91 HB THR 91 18.273 0.955 6.309 656 HG1 THR 91 1HG THR 91 20.043 0.524 4.955 657 1HG2 THR 91 1HG2 THR 91 19.409 -1.055 6.886 658 2HG2 THR 91 2HG2 THR 91 18.644 -1.943 5.567 659 3HG2 THR 91 3HG2 THR 91 17.683 -1.413 6.948 660 H ALA 92 H ALA 92 14.733 -1.333 5.121 661 HA ALA 92 HA ALA 92 14.205 -1.310 7.870 662 1HB ALA 92 1HB ALA 92 13.693 1.147 7.034 663 2HB ALA 92 2HB ALA 92 12.694 0.357 8.254 664 3HB ALA 92 3HB ALA 92 12.158 0.410 6.575 665 H VAL 93 H VAL 93 11.703 -1.838 8.225 666 HA VAL 93 HA VAL 93 11.160 -4.055 6.410 667 HB VAL 93 HB VAL 93 9.588 -3.353 8.884 668 1HG1 VAL 93 1HG1 VAL 93 8.427 -4.960 7.652 669 2HG1 VAL 93 2HG1 VAL 93 9.334 -5.910 8.830 670 3HG1 VAL 93 3HG1 VAL 93 9.905 -5.790 7.165 671 1HG2 VAL 93 1HG2 VAL 93 12.016 -3.538 9.400 672 2HG2 VAL 93 2HG2 VAL 93 11.989 -5.175 8.742 673 3HG2 VAL 93 3HG2 VAL 93 11.032 -4.782 10.171 674 H TYR 94 H TYR 94 9.498 -4.132 4.989 675 HA TYR 94 HA TYR 94 7.681 -1.817 4.954 676 1HB TYR 94 2HB TYR 94 8.815 -3.427 2.670 677 2HB TYR 94 1HB TYR 94 7.520 -2.249 2.481 678 HD1 TYR 94 1HD TYR 94 10.995 -2.540 3.815 679 HD2 TYR 94 2HD TYR 94 8.065 -0.044 2.005 680 HE1 TYR 94 1HE TYR 94 12.665 -0.749 3.595 681 HE2 TYR 94 2HE TYR 94 9.727 1.752 1.779 682 HH TYR 94 HH TYR 94 12.602 1.596 1.666 683 H TYR 95 H TYR 95 5.557 -2.102 4.201 684 HA TYR 95 HA TYR 95 4.484 -4.811 4.047 685 1HB TYR 95 2HB TYR 95 3.131 -2.814 5.850 686 2HB TYR 95 1HB TYR 95 2.877 -4.550 5.755 687 HD1 TYR 95 1HD TYR 95 5.236 -1.935 6.918 688 HD2 TYR 95 2HD TYR 95 4.105 -6.034 7.125 689 HE1 TYR 95 1HE TYR 95 6.749 -2.251 8.827 690 HE2 TYR 95 2HE TYR 95 5.620 -6.358 9.035 691 HH TYR 95 HH TYR 95 6.802 -4.008 10.868 692 H CYS 96 H CYS 96 2.151 -4.754 3.383 693 HA CYS 96 HA CYS 96 1.415 -2.319 1.923 694 1HB CYS 96 2HB CYS 96 1.870 -3.319 -0.035 695 2HB CYS 96 1HB CYS 96 2.199 -4.853 0.761 696 H ALA 97 H ALA 97 -0.394 -1.715 2.941 697 HA ALA 97 HA ALA 97 -2.454 -3.765 3.436 698 1HB ALA 97 1HB ALA 97 -1.235 -1.879 5.292 699 2HB ALA 97 2HB ALA 97 -2.161 -3.358 5.597 700 3HB ALA 97 3HB ALA 97 -3.002 -1.839 5.294 701 H LYS 98 H LYS 98 -4.667 -2.760 3.807 702 HA LYS 98 HA LYS 98 -5.196 -1.071 1.508 703 1HB LYS 98 2HB LYS 98 -6.797 -2.739 1.679 704 2HB LYS 98 1HB LYS 98 -6.892 -2.611 3.427 705 1HG LYS 98 2HG LYS 98 -7.832 -0.189 2.741 706 2HG LYS 98 1HG LYS 98 -8.341 -1.131 1.338 707 1HD LYS 98 2HD LYS 98 -10.109 -1.708 2.586 708 2HD LYS 98 1HD LYS 98 -8.988 -2.779 3.431 709 1HE LYS 98 2HE LYS 98 -8.598 -1.149 5.128 710 2HE LYS 98 1HE LYS 98 -9.492 0.079 4.232 711 1HZ LYS 98 1HZ LYS 98 -10.469 -1.794 6.086 712 2HZ LYS 98 2HZ LYS 98 -11.190 -2.099 4.587 713 3HZ LYS 98 3HZ LYS 98 -11.311 -0.564 5.287 714 H TYR 99 H TYR 99 -5.916 0.975 1.471 715 HA TYR 99 HA TYR 99 -5.443 2.566 3.842 716 1HB TYR 99 2HB TYR 99 -5.156 3.001 1.123 717 2HB TYR 99 1HB TYR 99 -6.565 3.969 1.539 718 HD1 TYR 99 1HD TYR 99 -5.979 6.185 1.738 719 HD2 TYR 99 2HD TYR 99 -3.349 3.233 3.304 720 HE1 TYR 99 1HE TYR 99 -4.510 7.960 2.595 721 HE2 TYR 99 2HE TYR 99 -1.871 5.000 4.170 722 HH TYR 99 HH TYR 99 -1.596 7.191 4.468 723 H SER 100 H SER 100 -7.009 4.334 4.402 724 HA SER 100 HA SER 100 -9.792 3.410 4.139 725 1HB SER 100 2HB SER 100 -8.222 4.044 6.584 726 2HB SER 100 1HB SER 100 -9.903 4.574 6.551 727 HG SER 100 HG SER 100 -9.288 1.950 5.782 728 H GLY 101 H GLY 101 -8.143 6.225 5.593 729 1HA GLY 101 2HA GLY 101 -9.596 7.954 3.711 730 2HA GLY 101 1HA GLY 101 -9.766 8.239 5.435 731 H GLY 102 H GLY 102 -6.839 7.369 5.708 732 1HA GLY 102 2HA GLY 102 -5.149 9.065 4.301 733 2HA GLY 102 1HA GLY 102 -5.749 9.992 5.667 734 H ALA 103 H ALA 103 -5.250 6.540 5.851 735 HA ALA 103 HA ALA 103 -2.601 6.606 6.864 736 1HB ALA 103 1HB ALA 103 -4.122 5.783 9.163 737 2HB ALA 103 2HB ALA 103 -4.537 7.435 8.709 738 3HB ALA 103 3HB ALA 103 -2.857 7.006 9.036 739 H LEU 104 H LEU 104 -1.756 4.552 7.073 740 HA LEU 104 HA LEU 104 -3.497 2.408 6.162 741 1HB LEU 104 2HB LEU 104 -1.072 2.961 5.332 742 2HB LEU 104 1HB LEU 104 -0.587 2.023 6.732 743 HG LEU 104 HG LEU 104 -1.688 0.059 5.898 744 1HD1 LEU 104 1HD1 LEU 104 -3.261 -0.003 4.289 745 2HD1 LEU 104 2HD1 LEU 104 -2.494 1.272 3.340 746 3HD1 LEU 104 3HD1 LEU 104 -3.474 1.688 4.746 747 1HD2 LEU 104 1HD2 LEU 104 0.185 1.516 4.147 748 2HD2 LEU 104 2HD2 LEU 104 -0.647 0.136 3.430 749 3HD2 LEU 104 3HD2 LEU 104 0.324 -0.079 4.886 750 H ASP 105 H ASP 105 -3.547 0.331 7.174 751 HA ASP 105 HA ASP 105 -3.393 0.543 10.094 752 1HB ASP 105 2HB ASP 105 -5.529 -0.141 8.718 753 2HB ASP 105 1HB ASP 105 -4.756 -1.721 8.684 754 H ALA 106 H ALA 106 -2.275 -1.365 7.371 755 HA ALA 106 HA ALA 106 -0.628 -2.921 7.158 756 1HB ALA 106 1HB ALA 106 0.702 -1.268 8.417 757 2HB ALA 106 2HB ALA 106 1.199 -2.931 8.735 758 3HB ALA 106 3HB ALA 106 0.222 -2.060 9.919 759 H TRP 107 H TRP 107 -1.104 -5.013 7.151 760 HA TRP 107 HA TRP 107 -2.238 -6.176 9.584 761 1HB TRP 107 2HB TRP 107 -2.626 -7.253 6.810 762 2HB TRP 107 1HB TRP 107 -3.531 -7.659 8.264 763 HD1 TRP 107 HD TRP 107 -4.131 -4.656 9.232 764 HE1 TRP 107 1HE TRP 107 -5.824 -3.235 7.928 765 HE3 TRP 107 3HE TRP 107 -4.049 -7.186 4.804 766 HZ2 TRP 107 2HZ TRP 107 -6.963 -3.191 5.351 767 HZ3 TRP 107 3HZ TRP 107 -5.447 -6.375 2.973 768 HH2 TRP 107 HH TRP 107 -6.869 -4.430 3.237 769 H GLY 108 H GLY 108 -1.009 -7.909 6.834 770 1HA GLY 108 2HA GLY 108 0.767 -9.370 8.663 771 2HA GLY 108 1HA GLY 108 0.164 -9.981 7.134 772 H GLN 109 H GLN 109 2.119 -10.554 6.333 773 HA GLN 109 HA GLN 109 3.920 -10.291 4.983 774 1HB GLN 109 2HB GLN 109 3.520 -7.323 5.349 775 2HB GLN 109 1HB GLN 109 4.605 -8.081 4.192 776 1HG GLN 109 2HG GLN 109 2.964 -8.534 2.755 777 2HG GLN 109 1HG GLN 109 1.831 -8.985 4.029 778 1HE2 GLN 109 1HE2 GLN 109 1.718 -7.201 1.598 779 2HE2 GLN 109 2HE2 GLN 109 1.048 -5.727 2.193 780 H GLY 110 H GLY 110 5.577 -7.679 5.621 781 1HA GLY 110 2HA GLY 110 6.936 -7.061 7.537 782 2HA GLY 110 1HA GLY 110 6.880 -8.747 8.039 783 H THR 111 H THR 111 7.693 -7.028 5.007 784 HA THR 111 HA THR 111 9.852 -8.901 4.538 785 HB THR 111 HB THR 111 8.492 -8.168 2.640 786 HG1 THR 111 1HG THR 111 10.250 -8.423 1.504 787 1HG2 THR 111 1HG2 THR 111 9.690 -5.437 3.117 788 2HG2 THR 111 2HG2 THR 111 8.008 -5.881 3.402 789 3HG2 THR 111 3HG2 THR 111 8.659 -5.900 1.764 790 H GLN 112 H GLN 112 11.941 -8.600 4.928 791 HA GLN 112 HA GLN 112 12.755 -6.107 6.196 792 1HB GLN 112 2HB GLN 112 13.419 -7.979 7.455 793 2HB GLN 112 1HB GLN 112 13.958 -8.857 6.030 794 1HG GLN 112 2HG GLN 112 15.883 -8.179 7.241 795 2HG GLN 112 1HG GLN 112 15.794 -7.200 5.779 796 1HE2 GLN 112 1HE2 GLN 112 13.518 -6.383 8.174 797 2HE2 GLN 112 2HE2 GLN 112 14.331 -4.997 8.805 798 H VAL 113 H VAL 113 13.400 -4.565 4.860 799 HA VAL 113 HA VAL 113 15.012 -5.284 2.504 800 HB VAL 113 HB VAL 113 13.475 -2.756 3.138 801 1HG1 VAL 113 1HG1 VAL 113 14.139 -2.262 0.673 802 2HG1 VAL 113 2HG1 VAL 113 15.469 -3.372 0.997 803 3HG1 VAL 113 3HG1 VAL 113 15.282 -1.913 1.969 804 1HG2 VAL 113 1HG2 VAL 113 13.018 -4.393 0.701 805 2HG2 VAL 113 2HG2 VAL 113 11.883 -3.437 1.651 806 3HG2 VAL 113 3HG2 VAL 113 12.415 -5.013 2.238 807 H THR 114 H THR 114 17.135 -4.750 2.441 808 HA THR 114 HA THR 114 18.096 -2.742 4.363 809 HB THR 114 HB THR 114 19.487 -5.374 3.868 810 HG1 THR 114 1HG THR 114 17.442 -5.379 5.149 811 1HG2 THR 114 1HG2 THR 114 21.206 -4.026 4.538 812 2HG2 THR 114 2HG2 THR 114 20.570 -4.471 6.122 813 3HG2 THR 114 3HG2 THR 114 20.143 -2.917 5.404 814 H VAL 115 H VAL 115 19.858 -1.547 3.769 815 HA VAL 115 HA VAL 115 20.748 -1.853 0.975 816 HB VAL 115 HB VAL 115 20.670 0.697 2.588 817 1HG1 VAL 115 1HG1 VAL 115 22.358 0.400 0.686 818 2HG1 VAL 115 2HG1 VAL 115 21.332 1.834 0.664 819 3HG1 VAL 115 3HG1 VAL 115 20.958 0.467 -0.386 820 1HG2 VAL 115 1HG2 VAL 115 18.865 1.152 0.687 821 2HG2 VAL 115 2HG2 VAL 115 18.437 0.442 2.244 822 3HG2 VAL 115 3HG2 VAL 115 18.661 -0.594 0.834 823 H SER 116 H SER 116 22.727 -2.668 0.916 824 HA SER 116 HA SER 116 24.571 -2.361 3.116 825 1HB SER 116 2HB SER 116 24.235 -4.184 0.925 826 2HB SER 116 1HB SER 116 25.879 -3.546 0.897 827 HG SER 116 HG SER 116 26.254 -4.901 2.448 828 H SER 117 H SER 117 24.808 -0.049 3.001 829 HA SER 117 HA SER 117 26.099 1.088 0.673 830 1HB SER 117 2HB SER 117 26.226 3.030 2.606 831 2HB SER 117 1HB SER 117 24.877 2.806 1.492 832 HG SER 117 HG SER 117 23.997 1.361 3.140 833 H GLN 118 H GLN 118 27.906 2.844 1.626 834 HA GLN 118 HA GLN 118 29.889 1.220 3.070 835 1HB GLN 118 2HB GLN 118 30.709 3.082 0.864 836 2HB GLN 118 1HB GLN 118 31.597 1.733 1.559 837 1HG GLN 118 2HG GLN 118 29.062 1.296 0.030 838 2HG GLN 118 1HG GLN 118 30.612 1.473 -0.790 839 1HE2 GLN 118 1HE2 GLN 118 29.581 -0.788 -1.341 840 2HE2 GLN 118 2HE2 GLN 118 30.218 -2.097 -0.410 841 H SER 119 H SER 119 29.781 4.506 1.702 842 HA SER 119 HA SER 119 30.190 6.550 2.601 843 1HB SER 119 2HB SER 119 28.540 5.143 4.533 844 2HB SER 119 1HB SER 119 29.585 6.327 5.320 845 HG SER 119 HG SER 119 28.723 7.645 3.337 846 H GLU 120 H GLU 120 30.818 5.059 5.711 847 HA GLU 120 HA GLU 120 32.672 4.967 7.019 848 1HB GLU 120 2HB GLU 120 33.313 3.648 4.725 849 2HB GLU 120 1HB GLU 120 34.587 4.858 4.782 850 1HG GLU 120 2HG GLU 120 35.574 3.168 5.945 851 2HG GLU 120 1HG GLU 120 34.811 4.054 7.265 852 H GLN 121 H GLN 121 35.144 5.909 7.013 853 HA GLN 121 HA GLN 121 34.925 8.752 6.274 854 1HB GLN 121 2HB GLN 121 35.547 7.501 8.898 855 2HB GLN 121 1HB GLN 121 36.463 8.937 8.458 856 1HG GLN 121 2HG GLN 121 34.073 9.888 7.915 857 2HG GLN 121 1HG GLN 121 33.568 8.637 9.049 858 1HE2 GLN 121 1HE2 GLN 121 34.917 11.728 8.673 859 2HE2 GLN 121 2HE2 GLN 121 35.241 12.053 10.339 860 H LYS 122 H LYS 122 37.437 6.717 7.764 861 HA LYS 122 HA LYS 122 39.259 7.554 5.606 862 1HB LYS 122 2HB LYS 122 39.548 7.508 8.502 863 2HB LYS 122 1HB LYS 122 40.841 6.628 7.698 864 1HG LYS 122 2HG LYS 122 41.433 8.562 6.409 865 2HG LYS 122 1HG LYS 122 40.041 9.451 7.029 866 1HD LYS 122 2HD LYS 122 40.960 9.540 9.214 867 2HD LYS 122 1HD LYS 122 42.212 8.364 8.808 868 1HE LYS 122 2HE LYS 122 42.400 10.531 6.980 869 2HE LYS 122 1HE LYS 122 42.305 11.196 8.611 870 1HZ LYS 122 1HZ LYS 122 44.531 10.832 8.447 871 2HZ LYS 122 2HZ LYS 122 44.372 9.507 7.409 872 3HZ LYS 122 3HZ LYS 122 44.069 9.325 9.063 873 H LEU 123 H LEU 123 39.764 5.991 4.233 874 HA LEU 123 HA LEU 123 40.176 3.273 5.248 875 1HB LEU 123 2HB LEU 123 37.879 3.433 4.327 876 2HB LEU 123 1HB LEU 123 38.557 3.916 2.784 877 HG LEU 123 HG LEU 123 39.859 1.531 3.370 878 1HD1 LEU 123 1HD1 LEU 123 38.574 0.528 4.911 879 2HD1 LEU 123 2HD1 LEU 123 37.493 0.220 3.550 880 3HD1 LEU 123 3HD1 LEU 123 37.204 1.599 4.614 881 1HD2 LEU 123 1HD2 LEU 123 38.444 2.652 1.311 882 2HD2 LEU 123 2HD2 LEU 123 37.456 1.255 1.737 883 3HD2 LEU 123 3HD2 LEU 123 39.153 1.037 1.307 884 H ILE 124 H ILE 124 42.041 2.460 4.571 885 HA ILE 124 HA ILE 124 43.632 3.892 2.643 886 HB ILE 124 HB ILE 124 44.711 2.981 4.619 887 1HG1 ILE 124 2HG1 ILE 124 45.619 1.442 2.175 888 2HG1 ILE 124 1HG1 ILE 124 45.973 3.143 2.459 889 1HG2 ILE 124 1HG2 ILE 124 43.108 0.727 4.087 890 2HG2 ILE 124 2HG2 ILE 124 44.202 0.988 5.445 891 3HG2 ILE 124 3HG2 ILE 124 44.787 0.198 3.981 892 1HD1 ILE 124 1HD1 ILE 124 47.064 0.725 3.796 893 2HD1 ILE 124 2HD1 ILE 124 46.956 2.228 4.712 894 3HD1 ILE 124 3HD1 ILE 124 47.891 2.173 3.218 895 H SER 125 H SER 125 44.223 3.253 0.619 896 HA SER 125 HA SER 125 42.539 1.285 -0.662 897 1HB SER 125 2HB SER 125 43.099 2.296 -2.644 898 2HB SER 125 1HB SER 125 43.475 3.628 -1.552 899 HG SER 125 HG SER 125 45.579 3.285 -1.826 900 H GLU 126 H GLU 126 43.078 -0.752 -1.151 901 HA GLU 126 HA GLU 126 45.465 -1.902 -0.164 902 1HB GLU 126 2HB GLU 126 43.045 -2.823 -1.517 903 2HB GLU 126 1HB GLU 126 44.477 -3.738 -1.971 904 1HG GLU 126 2HG GLU 126 44.242 -4.923 -0.122 905 2HG GLU 126 1HG GLU 126 44.601 -3.469 0.810 906 H GLU 127 H GLU 127 47.402 -1.543 -0.998 907 HA GLU 127 HA GLU 127 48.020 -2.254 -3.684 908 1HB GLU 127 2HB GLU 127 47.016 0.153 -3.765 909 2HB GLU 127 1HB GLU 127 48.569 0.638 -3.096 910 1HG GLU 127 2HG GLU 127 49.732 -0.005 -4.997 911 2HG GLU 127 1HG GLU 127 48.430 -1.052 -5.558 912 H ASP 128 H ASP 128 48.759 -2.178 -0.614 913 HA ASP 128 HA ASP 128 51.611 -1.590 -0.876 914 1HB ASP 128 2HB ASP 128 49.722 -1.369 1.240 915 2HB ASP 128 1HB ASP 128 50.940 -2.543 1.732 916 H LEU 129 H LEU 129 49.894 -4.127 0.929 917 HA LEU 129 HA LEU 129 50.241 -6.360 1.140 918 1HB LEU 129 2HB LEU 129 50.199 -5.873 -1.561 919 2HB LEU 129 1HB LEU 129 51.720 -6.720 -1.365 920 HG LEU 129 HG LEU 129 49.819 -8.205 -1.949 921 1HD1 LEU 129 1HD1 LEU 129 50.441 -9.950 -0.501 922 2HD1 LEU 129 2HD1 LEU 129 50.831 -8.836 0.808 923 3HD1 LEU 129 3HD1 LEU 129 51.860 -8.911 -0.622 924 1HD2 LEU 129 1HD2 LEU 129 48.812 -7.603 0.827 925 2HD2 LEU 129 2HD2 LEU 129 48.084 -8.673 -0.371 926 3HD2 LEU 129 3HD2 LEU 129 48.113 -6.932 -0.647 927 H ASN 130 H ASN 130 51.652 -6.863 2.674 928 HA ASN 130 HA ASN 130 54.313 -6.001 2.808 929 1HB ASN 130 2HB ASN 130 53.289 -8.493 4.158 930 2HB ASN 130 1HB ASN 130 54.521 -7.371 4.728 931 1HD2 ASN 130 1HD2 ASN 130 51.995 -8.336 5.938 932 2HD2 ASN 130 2HD2 ASN 130 51.114 -6.909 6.349 933 H HIS 131 H HIS 131 52.861 -8.746 1.261 934 HA HIS 131 HA HIS 131 53.679 -10.419 -0.043 935 1HB HIS 131 2HB HIS 131 55.556 -8.166 -0.443 936 2HB HIS 131 1HB HIS 131 56.129 -9.747 -0.965 937 HD1 HIS 131 1HD HIS 131 53.964 -6.972 -1.960 938 HD2 HIS 131 2HD HIS 131 54.426 -10.977 -2.968 939 HE1 HIS 131 1HE HIS 131 52.745 -7.262 -4.140 940 HE2 HIS 131 2HE HIS 131 53.043 -9.692 -4.736 941 H HIS 132 H HIS 132 56.218 -11.422 -0.478 942 HA HIS 132 HA HIS 132 56.694 -12.758 2.048 943 1HB HIS 132 2HB HIS 132 56.736 -13.607 -0.554 944 2HB HIS 132 1HB HIS 132 58.453 -13.413 -0.217 945 HD1 HIS 132 1HD HIS 132 56.915 -14.320 2.871 946 HD2 HIS 132 2HD HIS 132 58.073 -16.387 -0.543 947 HE1 HIS 132 1HE HIS 132 57.089 -16.730 3.571 948 HE2 HIS 132 2HE HIS 132 57.872 -17.949 1.509 949 H HIS 133 H HIS 133 59.059 -13.252 2.586 950 HA HIS 133 HA HIS 133 60.754 -10.889 2.153 951 1HB HIS 133 2HB HIS 133 61.482 -11.371 4.639 952 2HB HIS 133 1HB HIS 133 60.066 -10.383 4.299 953 HD1 HIS 133 1HD HIS 133 58.357 -10.925 5.995 954 HD2 HIS 133 2HD HIS 133 60.347 -14.327 4.678 955 HE1 HIS 133 1HE HIS 133 57.240 -12.852 7.163 956 HE2 HIS 133 2HE HIS 133 58.493 -14.896 6.389 957 H HIS 134 H HIS 134 63.032 -11.268 2.429 958 HA HIS 134 HA HIS 134 63.792 -14.110 2.326 959 1HB HIS 134 2HB HIS 134 64.599 -11.875 0.482 960 2HB HIS 134 1HB HIS 134 65.619 -13.295 0.687 961 HD1 HIS 134 1HD HIS 134 63.302 -15.409 0.792 962 HD2 HIS 134 2HD HIS 134 63.694 -12.407 -2.054 963 HE1 HIS 134 1HE HIS 134 62.018 -16.213 -1.216 964 HE2 HIS 134 2HE HIS 134 62.315 -14.404 -2.945 965 H HIS 135 H HIS 135 63.845 -12.144 4.517 966 HA HIS 135 HA HIS 135 66.646 -11.514 4.904 967 1HB HIS 135 2HB HIS 135 64.315 -11.212 6.811 968 2HB HIS 135 1HB HIS 135 65.919 -10.519 7.018 969 HD1 HIS 135 1HD HIS 135 65.936 -9.713 3.825 970 HD2 HIS 135 2HD HIS 135 63.227 -8.604 6.775 971 HE1 HIS 135 1HE HIS 135 64.874 -7.589 2.998 972 HE2 HIS 135 2HE HIS 135 63.202 -6.962 4.776 Start of MODEL 10 1 1H ASP 1 1HT ASP 1 -9.051 -10.059 8.832 2 2H ASP 1 2HT ASP 1 -10.152 -11.322 9.069 3 3H ASP 1 3HT ASP 1 -10.502 -9.774 9.654 4 HA ASP 1 HA ASP 1 -11.658 -10.508 7.531 5 1HB ASP 1 2HB ASP 1 -10.520 -7.999 8.407 6 2HB ASP 1 1HB ASP 1 -10.619 -8.045 6.648 7 H VAL 2 H VAL 2 -9.040 -8.527 6.359 8 HA VAL 2 HA VAL 2 -8.275 -10.679 4.498 9 HB VAL 2 HB VAL 2 -9.297 -9.208 3.046 10 1HG1 VAL 2 1HG1 VAL 2 -8.732 -7.249 5.122 11 2HG1 VAL 2 2HG1 VAL 2 -10.069 -7.332 3.975 12 3HG1 VAL 2 3HG1 VAL 2 -8.537 -6.603 3.492 13 1HG2 VAL 2 1HG2 VAL 2 -6.868 -7.603 2.820 14 2HG2 VAL 2 2HG2 VAL 2 -7.638 -8.670 1.647 15 3HG2 VAL 2 3HG2 VAL 2 -6.577 -9.340 2.886 16 H GLN 3 H GLN 3 -6.332 -11.389 5.070 17 HA GLN 3 HA GLN 3 -4.345 -9.464 6.057 18 1HB GLN 3 2HB GLN 3 -5.105 -11.973 7.017 19 2HB GLN 3 1HB GLN 3 -3.551 -12.246 6.241 20 1HG GLN 3 2HG GLN 3 -3.226 -9.903 7.710 21 2HG GLN 3 1HG GLN 3 -4.155 -10.980 8.753 22 1HE2 GLN 3 1HE2 GLN 3 -1.285 -10.895 6.687 23 2HE2 GLN 3 2HE2 GLN 3 -0.344 -11.979 7.649 24 H LEU 4 H LEU 4 -2.418 -9.177 5.025 25 HA LEU 4 HA LEU 4 -2.142 -10.562 2.442 26 1HB LEU 4 2HB LEU 4 -0.496 -8.197 2.737 27 2HB LEU 4 1HB LEU 4 -1.639 -8.613 1.479 28 HG LEU 4 HG LEU 4 -2.414 -7.394 4.131 29 1HD1 LEU 4 1HD1 LEU 4 -2.749 -5.764 1.750 30 2HD1 LEU 4 2HD1 LEU 4 -1.059 -6.141 2.091 31 3HD1 LEU 4 3HD1 LEU 4 -2.051 -5.352 3.317 32 1HD2 LEU 4 1HD2 LEU 4 -4.524 -7.727 3.530 33 2HD2 LEU 4 2HD2 LEU 4 -3.940 -8.711 2.187 34 3HD2 LEU 4 3HD2 LEU 4 -4.239 -6.989 1.954 35 H GLN 5 H GLN 5 0.056 -10.912 1.656 36 HA GLN 5 HA GLN 5 1.931 -11.491 3.852 37 1HB GLN 5 2HB GLN 5 0.949 -13.509 2.739 38 2HB GLN 5 1HB GLN 5 1.695 -12.985 1.235 39 1HG GLN 5 2HG GLN 5 3.903 -13.056 2.459 40 2HG GLN 5 1HG GLN 5 3.048 -13.883 3.760 41 1HE2 GLN 5 1HE2 GLN 5 5.195 -14.961 2.291 42 2HE2 GLN 5 2HE2 GLN 5 4.612 -16.334 1.420 43 H ALA 6 H ALA 6 3.459 -9.984 3.813 44 HA ALA 6 HA ALA 6 4.290 -8.778 1.307 45 1HB ALA 6 1HB ALA 6 5.466 -8.127 3.980 46 2HB ALA 6 2HB ALA 6 3.854 -7.564 3.534 47 3HB ALA 6 3HB ALA 6 5.253 -7.088 2.570 48 H SER 7 H SER 7 6.174 -9.101 0.281 49 HA SER 7 HA SER 7 8.462 -10.275 1.546 50 1HB SER 7 2HB SER 7 6.866 -12.227 1.006 51 2HB SER 7 1HB SER 7 7.269 -11.915 -0.683 52 HG SER 7 HG SER 7 9.509 -11.993 0.799 53 H GLY 8 H GLY 8 10.164 -10.825 -0.235 54 1HA GLY 8 2HA GLY 8 10.929 -10.315 -2.482 55 2HA GLY 8 1HA GLY 8 9.906 -8.887 -2.445 56 H GLY 9 H GLY 9 11.164 -8.997 0.542 57 1HA GLY 9 2HA GLY 9 12.813 -6.770 0.246 58 2HA GLY 9 1HA GLY 9 12.816 -7.847 1.634 59 H GLY 10 H GLY 10 14.717 -6.544 -0.665 60 1HA GLY 10 2HA GLY 10 16.597 -8.820 -0.559 61 2HA GLY 10 1HA GLY 10 16.403 -7.835 -1.999 62 H LEU 11 H LEU 11 18.836 -7.841 -1.499 63 HA LEU 11 HA LEU 11 19.462 -5.561 0.254 64 1HB LEU 11 2HB LEU 11 20.739 -8.157 -0.134 65 2HB LEU 11 1HB LEU 11 21.863 -6.820 -0.284 66 HG LEU 11 HG LEU 11 21.825 -7.709 1.992 67 1HD1 LEU 11 1HD1 LEU 11 20.588 -4.967 1.840 68 2HD1 LEU 11 2HD1 LEU 11 22.298 -5.326 1.603 69 3HD1 LEU 11 3HD1 LEU 11 21.545 -5.620 3.170 70 1HD2 LEU 11 1HD2 LEU 11 19.948 -7.853 3.325 71 2HD2 LEU 11 2HD2 LEU 11 19.305 -8.310 1.748 72 3HD2 LEU 11 3HD2 LEU 11 19.046 -6.679 2.366 73 H VAL 12 H VAL 12 20.241 -3.789 -0.624 74 HA VAL 12 HA VAL 12 21.491 -3.958 -3.264 75 HB VAL 12 HB VAL 12 18.952 -3.153 -3.094 76 1HG1 VAL 12 1HG1 VAL 12 19.331 -0.534 -3.538 77 2HG1 VAL 12 2HG1 VAL 12 20.521 -0.822 -2.271 78 3HG1 VAL 12 3HG1 VAL 12 18.826 -1.211 -1.990 79 1HG2 VAL 12 1HG2 VAL 12 21.154 -2.620 -4.949 80 2HG2 VAL 12 2HG2 VAL 12 19.674 -1.692 -5.188 81 3HG2 VAL 12 3HG2 VAL 12 19.623 -3.454 -5.200 82 H GLN 13 H GLN 13 22.033 -1.427 -3.788 83 HA GLN 13 HA GLN 13 23.521 -0.399 -1.461 84 1HB GLN 13 2HB GLN 13 24.752 -0.077 -4.144 85 2HB GLN 13 1HB GLN 13 25.516 -0.308 -2.577 86 1HG GLN 13 2HG GLN 13 25.169 -2.638 -2.640 87 2HG GLN 13 1HG GLN 13 24.053 -2.510 -3.999 88 1HE2 GLN 13 1HE2 GLN 13 27.212 -1.004 -3.510 89 2HE2 GLN 13 2HE2 GLN 13 27.965 -1.723 -4.889 90 HA PRO 14 HA PRO 14 21.934 3.648 -2.198 91 1HB PRO 14 2HB PRO 14 24.766 4.551 -2.510 92 2HB PRO 14 1HB PRO 14 23.477 5.221 -1.500 93 1HG PRO 14 2HG PRO 14 25.396 3.741 -0.413 94 2HG PRO 14 1HG PRO 14 23.715 3.575 0.123 95 1HD PRO 14 2HD PRO 14 25.339 1.775 -1.613 96 2HD PRO 14 1HD PRO 14 24.083 1.369 -0.427 97 H GLY 15 H GLY 15 20.953 3.660 -4.157 98 1HA GLY 15 2HA GLY 15 20.967 4.870 -6.267 99 2HA GLY 15 1HA GLY 15 22.639 4.367 -6.475 100 H GLY 16 H GLY 16 20.895 1.850 -5.176 101 1HA GLY 16 2HA GLY 16 20.973 0.392 -7.669 102 2HA GLY 16 1HA GLY 16 20.542 -0.248 -6.097 103 H SER 17 H SER 17 18.754 -1.341 -6.854 104 HA SER 17 HA SER 17 16.333 0.144 -6.912 105 1HB SER 17 2HB SER 17 16.144 0.540 -9.113 106 2HB SER 17 1HB SER 17 17.614 -0.372 -9.449 107 HG SER 17 HG SER 17 16.119 -1.543 -10.459 108 H LEU 18 H LEU 18 15.158 -1.127 -5.648 109 HA LEU 18 HA LEU 18 15.176 -4.027 -6.177 110 1HB LEU 18 2HB LEU 18 16.264 -3.792 -4.113 111 2HB LEU 18 1HB LEU 18 15.181 -2.518 -3.585 112 HG LEU 18 HG LEU 18 13.351 -4.300 -3.534 113 1HD1 LEU 18 1HD1 LEU 18 15.432 -6.347 -3.141 114 2HD1 LEU 18 2HD1 LEU 18 15.139 -5.858 -4.810 115 3HD1 LEU 18 3HD1 LEU 18 13.814 -6.485 -3.829 116 1HD2 LEU 18 1HD2 LEU 18 14.740 -3.303 -1.599 117 2HD2 LEU 18 2HD2 LEU 18 15.552 -4.869 -1.586 118 3HD2 LEU 18 3HD2 LEU 18 13.811 -4.775 -1.312 119 H ARG 19 H ARG 19 13.267 -4.939 -6.591 120 HA ARG 19 HA ARG 19 10.856 -3.299 -6.226 121 1HB ARG 19 2HB ARG 19 11.203 -3.921 -8.522 122 2HB ARG 19 1HB ARG 19 11.445 -5.607 -8.084 123 1HG ARG 19 2HG ARG 19 9.075 -5.634 -7.263 124 2HG ARG 19 1HG ARG 19 8.885 -4.032 -7.976 125 1HD ARG 19 2HD ARG 19 8.847 -6.636 -9.239 126 2HD ARG 19 1HD ARG 19 8.317 -5.076 -9.862 127 HE ARG 19 HE ARG 19 10.777 -4.721 -10.364 128 1HH1 ARG 19 1HH1 ARG 19 9.292 -7.874 -10.298 129 2HH1 ARG 19 2HH1 ARG 19 10.413 -8.568 -11.420 130 1HH2 ARG 19 1HH2 ARG 19 12.257 -5.628 -11.843 131 2HH2 ARG 19 2HH2 ARG 19 12.099 -7.291 -12.298 132 H VAL 20 H VAL 20 9.632 -3.787 -4.545 133 HA VAL 20 HA VAL 20 9.676 -6.541 -3.514 134 HB VAL 20 HB VAL 20 8.781 -5.613 -1.420 135 1HG1 VAL 20 1HG1 VAL 20 11.231 -5.821 -1.856 136 2HG1 VAL 20 2HG1 VAL 20 10.798 -4.617 -0.642 137 3HG1 VAL 20 3HG1 VAL 20 11.241 -4.107 -2.272 138 1HG2 VAL 20 1HG2 VAL 20 8.249 -3.412 -1.076 139 2HG2 VAL 20 2HG2 VAL 20 7.801 -3.575 -2.774 140 3HG2 VAL 20 3HG2 VAL 20 9.341 -2.838 -2.336 141 H SER 21 H SER 21 7.714 -7.597 -2.990 142 HA SER 21 HA SER 21 5.334 -6.416 -4.269 143 1HB SER 21 2HB SER 21 4.658 -8.661 -4.962 144 2HB SER 21 1HB SER 21 6.256 -8.277 -5.600 145 HG SER 21 HG SER 21 5.677 -10.399 -4.315 146 H CYS 22 H CYS 22 3.265 -7.344 -3.501 147 HA CYS 22 HA CYS 22 3.283 -8.443 -0.808 148 1HB CYS 22 2HB CYS 22 2.850 -5.653 -1.333 149 2HB CYS 22 1HB CYS 22 1.360 -6.370 -0.728 150 H ALA 23 H ALA 23 2.133 -10.219 -1.235 151 HA ALA 23 HA ALA 23 -0.143 -10.108 -3.012 152 1HB ALA 23 1HB ALA 23 0.823 -12.465 -1.409 153 2HB ALA 23 2HB ALA 23 1.465 -12.021 -2.990 154 3HB ALA 23 3HB ALA 23 -0.228 -12.485 -2.825 155 H ALA 24 H ALA 24 -2.210 -11.180 -2.310 156 HA ALA 24 HA ALA 24 -2.891 -11.243 0.456 157 1HB ALA 24 1HB ALA 24 -2.832 -8.852 0.302 158 2HB ALA 24 2HB ALA 24 -4.523 -9.356 0.384 159 3HB ALA 24 3HB ALA 24 -3.818 -8.873 -1.161 160 H SER 25 H SER 25 -5.151 -11.816 0.805 161 HA SER 25 HA SER 25 -6.754 -12.469 -1.515 162 1HB SER 25 2HB SER 25 -5.131 -14.476 -0.127 163 2HB SER 25 1HB SER 25 -6.838 -14.907 -0.232 164 HG SER 25 HG SER 25 -4.934 -14.781 -2.197 165 H GLY 26 H GLY 26 -8.507 -11.375 -0.783 166 1HA GLY 26 2HA GLY 26 -10.352 -12.475 0.888 167 2HA GLY 26 1HA GLY 26 -9.344 -11.526 1.968 168 H PHE 27 H PHE 27 -9.386 -10.068 -1.047 169 HA PHE 27 HA PHE 27 -11.890 -8.732 -0.911 170 1HB PHE 27 2HB PHE 27 -11.248 -6.574 -0.144 171 2HB PHE 27 1HB PHE 27 -10.664 -7.727 1.046 172 HD1 PHE 27 1HD PHE 27 -8.225 -8.553 -0.807 173 HD2 PHE 27 2HD PHE 27 -9.763 -4.853 0.632 174 HE1 PHE 27 1HE PHE 27 -5.983 -7.563 -0.964 175 HE2 PHE 27 2HE PHE 27 -7.520 -3.857 0.471 176 HZ PHE 27 HZ PHE 27 -5.623 -5.212 -0.325 177 H THR 28 H THR 28 -8.890 -9.364 -2.340 178 HA THR 28 HA THR 28 -8.069 -9.057 -4.438 179 HB THR 28 HB THR 28 -10.685 -7.862 -5.314 180 HG1 THR 28 1HG THR 28 -10.736 -10.491 -5.675 181 1HG2 THR 28 1HG2 THR 28 -9.231 -7.902 -7.116 182 2HG2 THR 28 2HG2 THR 28 -10.063 -9.448 -7.291 183 3HG2 THR 28 3HG2 THR 28 -8.448 -9.390 -6.584 184 H PHE 29 H PHE 29 -7.386 -7.396 -5.979 185 HA PHE 29 HA PHE 29 -7.266 -4.773 -4.672 186 1HB PHE 29 2HB PHE 29 -5.493 -6.216 -6.616 187 2HB PHE 29 1HB PHE 29 -5.407 -4.463 -6.485 188 HD1 PHE 29 1HD PHE 29 -5.775 -7.190 -3.960 189 HD2 PHE 29 2HD PHE 29 -3.519 -3.857 -5.343 190 HE1 PHE 29 1HE PHE 29 -4.266 -7.416 -2.031 191 HE2 PHE 29 2HE PHE 29 -2.007 -4.078 -3.417 192 HZ PHE 29 HZ PHE 29 -2.379 -5.860 -1.758 193 H SER 30 H SER 30 -6.519 -3.223 -6.849 194 HA SER 30 HA SER 30 -7.399 -1.897 -8.471 195 1HB SER 30 2HB SER 30 -7.212 -4.028 -9.773 196 2HB SER 30 1HB SER 30 -8.889 -4.379 -9.354 197 HG SER 30 HG SER 30 -8.641 -1.882 -10.354 198 H SER 31 H SER 31 -8.973 -2.679 -5.910 199 HA SER 31 HA SER 31 -11.405 -1.241 -6.694 200 1HB SER 31 2HB SER 31 -11.234 -3.969 -5.646 201 2HB SER 31 1HB SER 31 -12.302 -2.931 -4.702 202 HG SER 31 HG SER 31 -13.683 -2.950 -6.284 203 H TYR 32 H TYR 32 -9.208 -2.265 -4.144 204 HA TYR 32 HA TYR 32 -10.212 -0.097 -2.433 205 1HB TYR 32 2HB TYR 32 -8.472 -2.456 -1.686 206 2HB TYR 32 1HB TYR 32 -9.115 -1.250 -0.575 207 HD1 TYR 32 1HD TYR 32 -11.346 -1.395 0.246 208 HD2 TYR 32 2HD TYR 32 -10.023 -4.060 -2.796 209 HE1 TYR 32 1HE TYR 32 -13.364 -2.761 0.573 210 HE2 TYR 32 2HE TYR 32 -12.039 -5.431 -2.478 211 HH TYR 32 HH TYR 32 -14.237 -4.886 0.162 212 H HIS 33 H HIS 33 -8.652 1.199 -1.276 213 HA HIS 33 HA HIS 33 -6.340 1.802 -2.945 214 1HB HIS 33 2HB HIS 33 -7.016 3.399 -0.512 215 2HB HIS 33 1HB HIS 33 -6.380 3.938 -2.063 216 HD1 HIS 33 1HD HIS 33 -8.102 4.364 -3.965 217 HD2 HIS 33 2HD HIS 33 -9.794 3.310 -0.320 218 HE1 HIS 33 1HE HIS 33 -10.549 4.899 -4.180 219 HE2 HIS 33 2HE HIS 33 -11.568 4.158 -1.998 220 H MET 34 H MET 34 -4.814 0.262 -2.444 221 HA MET 34 HA MET 34 -4.170 -0.307 0.318 222 1HB MET 34 2HB MET 34 -3.131 -1.312 -2.317 223 2HB MET 34 1HB MET 34 -2.295 -1.674 -0.813 224 1HG MET 34 2HG MET 34 -5.184 -2.210 -0.812 225 2HG MET 34 1HG MET 34 -4.223 -3.214 -1.895 226 1HE MET 34 1HE MET 34 -1.664 -4.861 0.379 227 2HE MET 34 2HE MET 34 -1.368 -3.125 0.486 228 3HE MET 34 3HE MET 34 -1.820 -3.850 -1.057 229 H ALA 35 H ALA 35 -1.726 -0.345 0.866 230 HA ALA 35 HA ALA 35 -0.271 1.895 -0.284 231 1HB ALA 35 1HB ALA 35 -1.886 2.552 1.706 232 2HB ALA 35 2HB ALA 35 -0.296 3.288 1.508 233 3HB ALA 35 3HB ALA 35 -0.524 1.978 2.669 234 H TRP 36 H TRP 36 1.910 2.021 0.316 235 HA TRP 36 HA TRP 36 3.033 -0.501 1.325 236 1HB TRP 36 2HB TRP 36 3.850 1.453 -0.738 237 2HB TRP 36 1HB TRP 36 5.158 0.857 0.278 238 HD1 TRP 36 HD TRP 36 3.442 0.057 -2.830 239 HE1 TRP 36 1HE TRP 36 3.899 -2.371 -3.553 240 HE3 TRP 36 3HE TRP 36 5.371 -1.747 1.548 241 HZ2 TRP 36 2HZ TRP 36 4.939 -4.737 -2.419 242 HZ3 TRP 36 3HZ TRP 36 6.072 -4.103 1.646 243 HH2 TRP 36 HH TRP 36 5.859 -5.566 -0.298 244 H VAL 37 H VAL 37 3.430 -0.357 3.419 245 HA VAL 37 HA VAL 37 4.287 2.160 4.636 246 HB VAL 37 HB VAL 37 3.708 -0.281 6.259 247 1HG1 VAL 37 1HG1 VAL 37 2.957 1.187 7.857 248 2HG1 VAL 37 2HG1 VAL 37 2.764 2.510 6.702 249 3HG1 VAL 37 3HG1 VAL 37 4.379 1.965 7.167 250 1HG2 VAL 37 1HG2 VAL 37 1.911 -0.407 4.678 251 2HG2 VAL 37 2HG2 VAL 37 1.615 1.331 4.789 252 3HG2 VAL 37 3HG2 VAL 37 1.269 0.282 6.167 253 H ARG 38 H ARG 38 5.909 1.977 6.435 254 HA ARG 38 HA ARG 38 7.834 -0.191 6.138 255 1HB ARG 38 2HB ARG 38 8.679 1.227 4.461 256 2HB ARG 38 1HB ARG 38 8.387 2.673 5.416 257 1HG ARG 38 2HG ARG 38 10.139 1.395 7.013 258 2HG ARG 38 1HG ARG 38 10.672 0.828 5.427 259 1HD ARG 38 2HD ARG 38 11.876 2.831 5.967 260 2HD ARG 38 1HD ARG 38 10.733 3.190 4.668 261 HE ARG 38 HE ARG 38 9.267 4.041 6.580 262 1HH1 ARG 38 1HH1 ARG 38 12.752 4.163 6.598 263 2HH1 ARG 38 2HH1 ARG 38 12.825 5.547 7.636 264 1HH2 ARG 38 1HH2 ARG 38 9.358 5.863 7.946 265 2HH2 ARG 38 2HH2 ARG 38 10.897 6.513 8.403 266 H GLN 39 H GLN 39 9.373 -0.332 7.807 267 HA GLN 39 HA GLN 39 9.057 1.445 10.110 268 1HB GLN 39 2HB GLN 39 7.606 -0.475 10.545 269 2HB GLN 39 1HB GLN 39 8.933 -1.572 10.229 270 1HG GLN 39 2HG GLN 39 9.744 -1.355 12.290 271 2HG GLN 39 1HG GLN 39 9.546 0.397 12.279 272 1HE2 GLN 39 1HE2 GLN 39 7.303 1.180 12.582 273 2HE2 GLN 39 2HE2 GLN 39 6.291 0.323 13.690 274 H ALA 40 H ALA 40 10.975 2.027 10.914 275 HA ALA 40 HA ALA 40 13.331 0.352 10.306 276 1HB ALA 40 1HB ALA 40 14.236 2.001 9.115 277 2HB ALA 40 2HB ALA 40 14.034 3.129 10.458 278 3HB ALA 40 3HB ALA 40 12.734 2.908 9.287 279 HA PRO 41 HA PRO 41 15.325 0.654 14.310 280 1HB PRO 41 2HB PRO 41 16.352 3.373 13.554 281 2HB PRO 41 1HB PRO 41 17.174 2.072 14.423 282 1HG PRO 41 2HG PRO 41 17.527 2.525 11.765 283 2HG PRO 41 1HG PRO 41 17.670 0.922 12.504 284 1HD PRO 41 2HD PRO 41 15.664 1.895 10.646 285 2HD PRO 41 1HD PRO 41 15.915 0.249 11.249 286 H GLY 42 H GLY 42 14.684 4.116 13.648 287 1HA GLY 42 2HA GLY 42 13.635 4.680 16.191 288 2HA GLY 42 1HA GLY 42 13.358 5.648 14.748 289 H LYS 43 H LYS 43 12.165 3.479 13.294 290 HA LYS 43 HA LYS 43 10.129 2.723 12.738 291 1HB LYS 43 2HB LYS 43 9.282 1.115 14.106 292 2HB LYS 43 1HB LYS 43 10.883 1.303 14.797 293 1HG LYS 43 2HG LYS 43 9.716 2.990 16.391 294 2HG LYS 43 1HG LYS 43 8.241 2.163 15.886 295 1HD LYS 43 2HD LYS 43 8.915 1.016 17.814 296 2HD LYS 43 1HD LYS 43 9.474 -0.001 16.485 297 1HE LYS 43 2HE LYS 43 11.705 1.129 16.688 298 2HE LYS 43 1HE LYS 43 11.108 1.903 18.154 299 1HZ LYS 43 1HZ LYS 43 12.421 -0.183 18.491 300 2HZ LYS 43 2HZ LYS 43 11.144 -1.038 17.783 301 3HZ LYS 43 3HZ LYS 43 10.893 -0.178 19.218 302 H GLY 44 H GLY 44 7.709 2.620 13.621 303 1HA GLY 44 2HA GLY 44 6.107 4.143 14.859 304 2HA GLY 44 1HA GLY 44 6.944 5.442 14.011 305 H LEU 45 H LEU 45 7.164 3.085 11.930 306 HA LEU 45 HA LEU 45 6.221 2.496 9.980 307 1HB LEU 45 2HB LEU 45 4.173 2.216 11.888 308 2HB LEU 45 1HB LEU 45 3.443 2.986 10.491 309 HG LEU 45 HG LEU 45 4.058 1.156 9.049 310 1HD1 LEU 45 1HD1 LEU 45 6.157 0.826 10.851 311 2HD1 LEU 45 2HD1 LEU 45 5.814 -0.127 9.405 312 3HD1 LEU 45 3HD1 LEU 45 5.195 -0.648 10.974 313 1HD2 LEU 45 1HD2 LEU 45 2.471 -0.236 9.779 314 2HD2 LEU 45 2HD2 LEU 45 2.255 0.935 11.080 315 3HD2 LEU 45 3HD2 LEU 45 3.259 -0.495 11.334 316 H GLU 46 H GLU 46 5.895 3.423 8.113 317 HA GLU 46 HA GLU 46 4.684 6.094 8.023 318 1HB GLU 46 2HB GLU 46 7.067 6.462 7.870 319 2HB GLU 46 1HB GLU 46 7.228 5.199 6.656 320 1HG GLU 46 2HG GLU 46 6.667 6.567 4.994 321 2HG GLU 46 1HG GLU 46 5.331 7.273 5.905 322 H TRP 47 H TRP 47 3.021 6.110 6.675 323 HA TRP 47 HA TRP 47 2.212 3.911 5.186 324 1HB TRP 47 2HB TRP 47 0.373 5.193 5.319 325 2HB TRP 47 1HB TRP 47 1.322 6.651 5.581 326 HD1 TRP 47 HD TRP 47 0.574 4.406 2.494 327 HE1 TRP 47 1HE TRP 47 0.101 5.966 0.503 328 HE3 TRP 47 3HE TRP 47 1.097 8.896 4.845 329 HZ2 TRP 47 2HZ TRP 47 -0.065 8.744 0.002 330 HZ3 TRP 47 3HZ TRP 47 0.762 10.966 3.550 331 HH2 TRP 47 HH TRP 47 0.191 10.887 1.178 332 H VAL 48 H VAL 48 4.395 6.477 4.384 333 HA VAL 48 HA VAL 48 5.691 6.917 2.580 334 HB VAL 48 HB VAL 48 5.397 3.937 2.339 335 1HG1 VAL 48 1HG1 VAL 48 6.295 3.914 0.306 336 2HG1 VAL 48 2HG1 VAL 48 7.668 4.854 0.891 337 3HG1 VAL 48 3HG1 VAL 48 6.240 5.677 0.265 338 1HG2 VAL 48 1HG2 VAL 48 7.958 5.332 2.882 339 2HG2 VAL 48 2HG2 VAL 48 7.345 3.801 3.508 340 3HG2 VAL 48 3HG2 VAL 48 6.740 5.324 4.158 341 H SER 49 H SER 49 3.757 4.341 0.992 342 HA SER 49 HA SER 49 2.786 6.441 -0.850 343 1HB SER 49 2HB SER 49 3.828 3.727 -1.673 344 2HB SER 49 1HB SER 49 3.188 4.965 -2.755 345 HG SER 49 HG SER 49 4.972 6.258 -1.521 346 H THR 50 H THR 50 0.908 6.002 -2.056 347 HA THR 50 HA THR 50 -0.748 3.722 -1.313 348 HB THR 50 HB THR 50 -1.364 6.550 -0.562 349 HG1 THR 50 1HG THR 50 -0.859 4.556 0.823 350 1HG2 THR 50 1HG2 THR 50 -3.117 5.923 -2.224 351 2HG2 THR 50 2HG2 THR 50 -3.741 6.201 -0.598 352 3HG2 THR 50 3HG2 THR 50 -3.537 4.553 -1.194 353 H ILE 51 H ILE 51 -2.034 3.069 -2.986 354 HA ILE 51 HA ILE 51 -2.081 4.825 -5.356 355 HB ILE 51 HB ILE 51 -0.718 2.827 -5.727 356 1HG1 ILE 51 2HG1 ILE 51 -3.030 2.105 -7.388 357 2HG1 ILE 51 1HG1 ILE 51 -2.676 3.831 -7.377 358 1HG2 ILE 51 1HG2 ILE 51 -1.295 0.769 -5.091 359 2HG2 ILE 51 2HG2 ILE 51 -2.902 0.911 -5.803 360 3HG2 ILE 51 3HG2 ILE 51 -2.599 1.534 -4.181 361 1HD1 ILE 51 1HD1 ILE 51 -0.335 3.292 -8.002 362 2HD1 ILE 51 2HD1 ILE 51 -1.532 2.822 -9.211 363 3HD1 ILE 51 3HD1 ILE 51 -0.816 1.602 -8.157 364 H ASN 52 H ASN 52 -3.969 5.137 -6.437 365 HA ASN 52 HA ASN 52 -6.384 3.948 -5.236 366 1HB ASN 52 2HB ASN 52 -6.358 6.291 -4.736 367 2HB ASN 52 1HB ASN 52 -5.935 6.701 -6.394 368 1HD2 ASN 52 1HD2 ASN 52 -7.709 8.077 -6.549 369 2HD2 ASN 52 2HD2 ASN 52 -9.318 7.475 -6.728 370 HA PRO 53 HA PRO 53 -6.764 2.213 -9.368 371 1HB PRO 53 2HB PRO 53 -9.051 0.825 -8.885 372 2HB PRO 53 1HB PRO 53 -7.458 0.263 -8.366 373 1HG PRO 53 2HG PRO 53 -9.570 1.689 -6.791 374 2HG PRO 53 1HG PRO 53 -8.574 0.296 -6.324 375 1HD PRO 53 2HD PRO 53 -8.008 2.805 -5.507 376 2HD PRO 53 1HD PRO 53 -6.738 1.611 -5.843 377 H GLY 54 H GLY 54 -8.427 2.222 -11.075 378 1HA GLY 54 2HA GLY 54 -10.395 3.059 -12.072 379 2HA GLY 54 1HA GLY 54 -10.609 4.129 -10.695 380 H ASP 55 H ASP 55 -9.099 5.963 -10.516 381 HA ASP 55 HA ASP 55 -8.803 7.232 -13.089 382 1HB ASP 55 2HB ASP 55 -8.391 8.149 -10.250 383 2HB ASP 55 1HB ASP 55 -7.937 9.154 -11.623 384 H GLY 56 H GLY 56 -6.537 6.954 -10.340 385 1HA GLY 56 2HA GLY 56 -4.423 5.670 -11.028 386 2HA GLY 56 1HA GLY 56 -4.336 6.885 -12.295 387 H SER 57 H SER 57 -5.630 8.577 -9.907 388 HA SER 57 HA SER 57 -3.384 10.111 -9.338 389 1HB SER 57 2HB SER 57 -6.139 9.969 -8.417 390 2HB SER 57 1HB SER 57 -5.042 10.421 -7.114 391 HG SER 57 HG SER 57 -4.838 12.303 -8.005 392 H THR 58 H THR 58 -1.812 10.053 -7.816 393 HA THR 58 HA THR 58 -1.849 7.759 -5.967 394 HB THR 58 HB THR 58 0.806 8.586 -6.218 395 HG1 THR 58 1HG THR 58 0.905 8.245 -8.642 396 1HG2 THR 58 1HG2 THR 58 -0.756 6.282 -7.358 397 2HG2 THR 58 2HG2 THR 58 0.272 6.306 -5.925 398 3HG2 THR 58 3HG2 THR 58 0.994 6.415 -7.530 399 H TYR 59 H TYR 59 -0.741 8.025 -3.946 400 HA TYR 59 HA TYR 59 -0.441 10.813 -3.059 401 1HB TYR 59 2HB TYR 59 -1.722 8.649 -1.382 402 2HB TYR 59 1HB TYR 59 -1.603 10.364 -1.004 403 HD1 TYR 59 1HD TYR 59 -3.394 7.819 -2.914 404 HD2 TYR 59 2HD TYR 59 -3.072 11.983 -2.100 405 HE1 TYR 59 1HE TYR 59 -5.600 8.183 -3.938 406 HE2 TYR 59 2HE TYR 59 -5.277 12.359 -3.124 407 HH TYR 59 HH TYR 59 -6.696 10.669 -5.106 408 H TYR 60 H TYR 60 1.409 11.184 -1.977 409 HA TYR 60 HA TYR 60 2.862 8.861 -0.894 410 1HB TYR 60 2HB TYR 60 3.926 11.153 -2.536 411 2HB TYR 60 1HB TYR 60 4.971 10.161 -1.529 412 HD1 TYR 60 1HD TYR 60 5.993 8.329 -2.489 413 HD2 TYR 60 2HD TYR 60 2.376 9.782 -4.198 414 HE1 TYR 60 1HE TYR 60 6.205 6.695 -4.314 415 HE2 TYR 60 2HE TYR 60 2.581 8.150 -6.026 416 HH TYR 60 HH TYR 60 5.175 6.724 -6.935 417 H ALA 61 H ALA 61 4.398 9.367 0.804 418 HA ALA 61 HA ALA 61 3.305 11.216 2.703 419 1HB ALA 61 1HB ALA 61 4.104 9.177 3.597 420 2HB ALA 61 2HB ALA 61 5.250 10.412 4.118 421 3HB ALA 61 3HB ALA 61 5.659 9.340 2.779 422 H ASP 62 H ASP 62 4.650 12.147 0.144 423 HA ASP 62 HA ASP 62 5.697 14.059 -0.495 424 1HB ASP 62 2HB ASP 62 4.849 14.955 1.738 425 2HB ASP 62 1HB ASP 62 6.452 14.596 2.372 426 H SER 63 H SER 63 7.536 12.625 2.215 427 HA SER 63 HA SER 63 10.033 13.076 0.850 428 1HB SER 63 2HB SER 63 9.176 12.263 3.525 429 2HB SER 63 1HB SER 63 10.598 11.388 2.958 430 HG SER 63 HG SER 63 11.737 13.146 3.145 431 H VAL 64 H VAL 64 8.095 11.344 -0.476 432 HA VAL 64 HA VAL 64 9.875 9.096 -0.960 433 HB VAL 64 HB VAL 64 7.732 7.602 -1.015 434 1HG1 VAL 64 1HG1 VAL 64 8.356 6.683 1.016 435 2HG1 VAL 64 2HG1 VAL 64 8.713 8.254 1.734 436 3HG1 VAL 64 3HG1 VAL 64 9.807 7.562 0.536 437 1HG2 VAL 64 1HG2 VAL 64 6.939 9.776 0.914 438 2HG2 VAL 64 2HG2 VAL 64 6.164 8.194 0.822 439 3HG2 VAL 64 3HG2 VAL 64 6.095 9.292 -0.557 440 H LYS 65 H LYS 65 7.684 11.431 -1.989 441 HA LYS 65 HA LYS 65 6.508 10.332 -4.253 442 1HB LYS 65 2HB LYS 65 6.131 12.646 -3.261 443 2HB LYS 65 1HB LYS 65 7.571 13.152 -4.134 444 1HG LYS 65 2HG LYS 65 5.740 13.761 -5.479 445 2HG LYS 65 1HG LYS 65 6.441 12.329 -6.233 446 1HD LYS 65 2HD LYS 65 4.654 11.006 -5.710 447 2HD LYS 65 1HD LYS 65 4.273 11.918 -4.247 448 1HE LYS 65 2HE LYS 65 2.882 13.304 -5.331 449 2HE LYS 65 1HE LYS 65 3.957 13.447 -6.721 450 1HZ LYS 65 1HZ LYS 65 1.651 11.816 -6.397 451 2HZ LYS 65 2HZ LYS 65 2.995 10.876 -6.811 452 3HZ LYS 65 3HZ LYS 65 2.528 12.164 -7.802 453 H GLY 66 H GLY 66 9.777 11.446 -3.727 454 1HA GLY 66 2HA GLY 66 10.441 10.702 -6.510 455 2HA GLY 66 1HA GLY 66 11.321 11.910 -5.581 456 H ARG 67 H ARG 67 10.484 9.477 -3.527 457 HA ARG 67 HA ARG 67 13.176 8.343 -3.629 458 1HB ARG 67 2HB ARG 67 12.175 9.288 -1.502 459 2HB ARG 67 1HB ARG 67 11.067 7.923 -1.511 460 1HG ARG 67 2HG ARG 67 12.701 7.148 -0.118 461 2HG ARG 67 1HG ARG 67 13.265 6.521 -1.671 462 1HD ARG 67 2HD ARG 67 15.010 7.642 -0.225 463 2HD ARG 67 1HD ARG 67 14.882 8.222 -1.886 464 HE ARG 67 HE ARG 67 13.639 9.640 0.381 465 1HH1 ARG 67 1HH1 ARG 67 15.556 9.596 -2.529 466 2HH1 ARG 67 2HH1 ARG 67 15.724 11.319 -2.600 467 1HH2 ARG 67 1HH2 ARG 67 13.854 11.911 0.297 468 2HH2 ARG 67 2HH2 ARG 67 14.755 12.635 -0.992 469 H PHE 68 H PHE 68 9.940 7.053 -2.891 470 HA PHE 68 HA PHE 68 10.714 4.559 -4.242 471 1HB PHE 68 2HB PHE 68 8.599 5.053 -2.140 472 2HB PHE 68 1HB PHE 68 8.938 3.496 -2.886 473 HD1 PHE 68 1HD PHE 68 11.482 2.770 -2.719 474 HD2 PHE 68 2HD PHE 68 9.533 5.496 -0.104 475 HE1 PHE 68 1HE PHE 68 13.167 2.306 -0.989 476 HE2 PHE 68 2HE PHE 68 11.216 5.041 1.632 477 HZ PHE 68 HZ PHE 68 13.033 3.441 1.189 478 H THR 69 H THR 69 8.996 3.393 -5.368 479 HA THR 69 HA THR 69 6.969 5.198 -6.520 480 HB THR 69 HB THR 69 8.666 3.140 -7.939 481 HG1 THR 69 1HG THR 69 9.158 4.945 -9.246 482 1HG2 THR 69 1HG2 THR 69 7.284 3.405 -9.901 483 2HG2 THR 69 2HG2 THR 69 6.254 4.569 -9.069 484 3HG2 THR 69 3HG2 THR 69 6.263 2.879 -8.562 485 H ILE 70 H ILE 70 4.958 4.506 -6.355 486 HA ILE 70 HA ILE 70 4.504 1.772 -5.422 487 HB ILE 70 HB ILE 70 3.594 4.060 -4.351 488 1HG1 ILE 70 2HG1 ILE 70 2.496 1.280 -4.386 489 2HG1 ILE 70 1HG1 ILE 70 3.297 2.154 -3.084 490 1HG2 ILE 70 1HG2 ILE 70 1.537 4.773 -5.046 491 2HG2 ILE 70 2HG2 ILE 70 1.115 3.219 -5.763 492 3HG2 ILE 70 3HG2 ILE 70 2.241 4.295 -6.591 493 1HD1 ILE 70 1HD1 ILE 70 0.449 2.277 -3.956 494 2HD1 ILE 70 2HD1 ILE 70 1.179 3.613 -3.066 495 3HD1 ILE 70 3HD1 ILE 70 1.122 2.002 -2.348 496 H SER 71 H SER 71 3.322 0.335 -6.539 497 HA SER 71 HA SER 71 1.790 1.174 -8.868 498 1HB SER 71 2HB SER 71 3.788 -1.047 -9.215 499 2HB SER 71 1HB SER 71 2.965 -0.096 -10.451 500 HG SER 71 HG SER 71 4.349 1.530 -10.154 501 H ARG 72 H ARG 72 0.500 -0.610 -9.764 502 HA ARG 72 HA ARG 72 0.221 -3.051 -8.312 503 1HB ARG 72 2HB ARG 72 -0.847 -1.735 -6.640 504 2HB ARG 72 1HB ARG 72 -1.772 -0.840 -7.837 505 1HG ARG 72 2HG ARG 72 -2.642 -3.335 -8.346 506 2HG ARG 72 1HG ARG 72 -2.284 -3.472 -6.623 507 1HD ARG 72 2HD ARG 72 -4.402 -2.689 -6.445 508 2HD ARG 72 1HD ARG 72 -3.577 -1.139 -6.595 509 HE ARG 72 HE ARG 72 -5.214 -2.453 -8.616 510 1HH1 ARG 72 1HH1 ARG 72 -3.104 0.183 -7.754 511 2HH1 ARG 72 2HH1 ARG 72 -3.598 1.182 -9.080 512 1HH2 ARG 72 1HH2 ARG 72 -5.874 -1.143 -10.362 513 2HH2 ARG 72 2HH2 ARG 72 -5.173 0.429 -10.562 514 H ASP 73 H ASP 73 -0.992 -4.543 -9.397 515 HA ASP 73 HA ASP 73 -1.788 -3.816 -12.093 516 1HB ASP 73 2HB ASP 73 -0.782 -6.162 -10.834 517 2HB ASP 73 1HB ASP 73 -2.366 -6.552 -11.498 518 H ASN 74 H ASN 74 -3.849 -3.940 -12.915 519 HA ASN 74 HA ASN 74 -5.987 -3.858 -10.947 520 1HB ASN 74 2HB ASN 74 -7.274 -3.434 -13.273 521 2HB ASN 74 1HB ASN 74 -6.448 -2.156 -12.388 522 1HD2 ASN 74 1HD2 ASN 74 -5.617 -4.730 -14.693 523 2HD2 ASN 74 2HD2 ASN 74 -4.626 -3.737 -15.702 524 H ALA 75 H ALA 75 -4.973 -6.372 -11.056 525 HA ALA 75 HA ALA 75 -7.268 -7.882 -11.958 526 1HB ALA 75 1HB ALA 75 -6.415 -8.743 -13.816 527 2HB ALA 75 2HB ALA 75 -5.016 -9.340 -12.922 528 3HB ALA 75 3HB ALA 75 -4.992 -7.721 -13.619 529 H LYS 76 H LYS 76 -3.888 -8.696 -11.169 530 HA LYS 76 HA LYS 76 -4.747 -10.724 -9.316 531 1HB LYS 76 2HB LYS 76 -2.773 -11.087 -10.698 532 2HB LYS 76 1HB LYS 76 -1.992 -9.679 -9.994 533 1HG LYS 76 2HG LYS 76 -1.936 -10.776 -7.823 534 2HG LYS 76 1HG LYS 76 -2.757 -12.182 -8.504 535 1HD LYS 76 2HD LYS 76 -0.326 -11.333 -9.930 536 2HD LYS 76 1HD LYS 76 -0.066 -11.935 -8.292 537 1HE LYS 76 2HE LYS 76 -0.637 -14.049 -8.838 538 2HE LYS 76 1HE LYS 76 -1.896 -13.529 -9.958 539 1HZ LYS 76 1HZ LYS 76 -0.265 -14.515 -11.282 540 2HZ LYS 76 2HZ LYS 76 1.008 -13.772 -10.454 541 3HZ LYS 76 3HZ LYS 76 0.010 -12.855 -11.465 542 H ASN 77 H ASN 77 -4.446 -10.766 -7.097 543 HA ASN 77 HA ASN 77 -4.595 -8.207 -5.786 544 1HB ASN 77 2HB ASN 77 -4.349 -10.214 -3.830 545 2HB ASN 77 1HB ASN 77 -5.828 -9.432 -4.378 546 1HD2 ASN 77 1HD2 ASN 77 -3.910 -12.274 -4.434 547 2HD2 ASN 77 2HD2 ASN 77 -5.009 -13.265 -5.328 548 H THR 78 H THR 78 -2.502 -7.343 -6.234 549 HA THR 78 HA THR 78 -0.546 -8.104 -4.245 550 HB THR 78 HB THR 78 0.606 -7.917 -6.980 551 HG1 THR 78 1HG THR 78 -1.088 -9.464 -7.203 552 1HG2 THR 78 1HG2 THR 78 2.293 -9.338 -6.059 553 2HG2 THR 78 2HG2 THR 78 1.298 -9.704 -4.651 554 3HG2 THR 78 3HG2 THR 78 1.954 -8.081 -4.870 555 H LEU 79 H LEU 79 1.173 -6.584 -4.010 556 HA LEU 79 HA LEU 79 0.743 -3.990 -5.327 557 1HB LEU 79 2HB LEU 79 -0.226 -4.133 -2.974 558 2HB LEU 79 1HB LEU 79 1.425 -4.282 -2.405 559 HG LEU 79 HG LEU 79 1.930 -2.069 -3.431 560 1HD1 LEU 79 1HD1 LEU 79 0.270 -0.681 -4.318 561 2HD1 LEU 79 2HD1 LEU 79 -1.034 -1.706 -3.717 562 3HD1 LEU 79 3HD1 LEU 79 -0.029 -2.254 -5.059 563 1HD2 LEU 79 1HD2 LEU 79 0.173 -0.873 -1.791 564 2HD2 LEU 79 2HD2 LEU 79 1.616 -1.713 -1.224 565 3HD2 LEU 79 3HD2 LEU 79 0.054 -2.531 -1.202 566 H TYR 80 H TYR 80 2.566 -3.202 -6.196 567 HA TYR 80 HA TYR 80 5.132 -4.256 -5.197 568 1HB TYR 80 2HB TYR 80 4.546 -3.402 -8.033 569 2HB TYR 80 1HB TYR 80 6.012 -4.172 -7.441 570 HD1 TYR 80 1HD TYR 80 6.194 -6.512 -7.374 571 HD2 TYR 80 2HD TYR 80 2.385 -4.727 -8.003 572 HE1 TYR 80 1HE TYR 80 5.255 -8.719 -7.916 573 HE2 TYR 80 2HE TYR 80 1.434 -6.928 -8.543 574 HH TYR 80 HH TYR 80 1.981 -9.079 -9.119 575 H LEU 81 H LEU 81 6.923 -2.891 -5.185 576 HA LEU 81 HA LEU 81 6.485 -0.063 -5.767 577 1HB LEU 81 2HB LEU 81 5.994 -0.336 -3.365 578 2HB LEU 81 1HB LEU 81 7.577 -1.056 -3.129 579 HG LEU 81 HG LEU 81 8.062 1.416 -4.370 580 1HD1 LEU 81 1HD1 LEU 81 6.717 2.351 -2.010 581 2HD1 LEU 81 2HD1 LEU 81 5.573 1.576 -3.108 582 3HD1 LEU 81 3HD1 LEU 81 6.580 2.909 -3.678 583 1HD2 LEU 81 1HD2 LEU 81 8.679 1.891 -1.804 584 2HD2 LEU 81 2HD2 LEU 81 9.670 0.913 -2.887 585 3HD2 LEU 81 3HD2 LEU 81 8.552 0.132 -1.768 586 H GLN 82 H GLN 82 8.311 1.026 -6.401 587 HA GLN 82 HA GLN 82 10.676 -0.651 -6.846 588 1HB GLN 82 2HB GLN 82 9.287 0.765 -8.674 589 2HB GLN 82 1HB GLN 82 10.445 1.989 -8.177 590 1HG GLN 82 2HG GLN 82 11.115 0.633 -10.163 591 2HG GLN 82 1HG GLN 82 12.282 0.653 -8.843 592 1HE2 GLN 82 1HE2 GLN 82 13.175 -1.235 -8.484 593 2HE2 GLN 82 2HE2 GLN 82 12.432 -2.780 -8.699 594 H MET 83 H MET 83 12.088 -0.414 -5.270 595 HA MET 83 HA MET 83 12.349 2.071 -3.826 596 1HB MET 83 2HB MET 83 13.702 -0.609 -3.553 597 2HB MET 83 1HB MET 83 14.067 0.767 -2.519 598 1HG MET 83 2HG MET 83 12.102 0.622 -1.393 599 2HG MET 83 1HG MET 83 11.229 -0.033 -2.776 600 1HE MET 83 1HE MET 83 11.377 -1.256 0.612 601 2HE MET 83 2HE MET 83 10.696 -2.729 -0.077 602 3HE MET 83 3HE MET 83 10.167 -1.153 -0.666 603 H ASN 84 H ASN 84 13.315 3.611 -5.011 604 HA ASN 84 HA ASN 84 16.012 3.006 -6.044 605 1HB ASN 84 2HB ASN 84 14.336 5.207 -7.204 606 2HB ASN 84 1HB ASN 84 15.671 4.322 -7.936 607 1HD2 ASN 84 1HD2 ASN 84 15.275 2.479 -9.042 608 2HD2 ASN 84 2HD2 ASN 84 13.694 1.840 -9.320 609 H SER 85 H SER 85 17.338 5.072 -6.306 610 HA SER 85 HA SER 85 18.470 6.760 -5.289 611 1HB SER 85 2HB SER 85 15.663 7.524 -5.281 612 2HB SER 85 1HB SER 85 16.547 8.265 -3.946 613 HG SER 85 HG SER 85 17.691 8.293 -6.501 614 H LEU 86 H LEU 86 18.106 4.306 -3.798 615 HA LEU 86 HA LEU 86 17.467 4.772 -1.101 616 1HB LEU 86 2HB LEU 86 19.486 2.774 -2.120 617 2HB LEU 86 1HB LEU 86 18.584 2.696 -0.618 618 HG LEU 86 HG LEU 86 16.543 2.749 -2.392 619 1HD1 LEU 86 1HD1 LEU 86 18.856 2.232 -3.962 620 2HD1 LEU 86 2HD1 LEU 86 17.166 2.281 -4.465 621 3HD1 LEU 86 3HD1 LEU 86 17.877 0.767 -3.905 622 1HD2 LEU 86 1HD2 LEU 86 16.464 1.117 -0.774 623 2HD2 LEU 86 2HD2 LEU 86 18.089 0.532 -1.129 624 3HD2 LEU 86 3HD2 LEU 86 16.757 0.153 -2.221 625 H LYS 87 H LYS 87 18.504 5.803 0.466 626 HA LYS 87 HA LYS 87 21.334 6.502 0.034 627 1HB LYS 87 2HB LYS 87 20.941 8.528 1.352 628 2HB LYS 87 1HB LYS 87 19.879 8.470 -0.047 629 1HG LYS 87 2HG LYS 87 18.829 7.384 2.499 630 2HG LYS 87 1HG LYS 87 19.022 9.134 2.372 631 1HD LYS 87 2HD LYS 87 17.839 8.257 -0.036 632 2HD LYS 87 1HD LYS 87 16.976 7.460 1.280 633 1HE LYS 87 2HE LYS 87 17.378 10.409 0.840 634 2HE LYS 87 1HE LYS 87 15.860 9.514 0.868 635 1HZ LYS 87 1HZ LYS 87 17.432 10.550 3.060 636 2HZ LYS 87 2HZ LYS 87 16.864 8.975 3.296 637 3HZ LYS 87 3HZ LYS 87 15.774 10.227 2.974 638 H SER 88 H SER 88 18.892 5.736 2.472 639 HA SER 88 HA SER 88 20.454 3.946 3.916 640 1HB SER 88 2HB SER 88 21.617 6.254 4.393 641 2HB SER 88 1HB SER 88 20.257 6.496 5.490 642 HG SER 88 HG SER 88 21.215 5.222 6.842 643 H GLU 89 H GLU 89 17.940 6.378 3.948 644 HA GLU 89 HA GLU 89 16.491 5.425 6.169 645 1HB GLU 89 2HB GLU 89 15.192 7.197 5.757 646 2HB GLU 89 1HB GLU 89 16.308 7.583 4.460 647 1HG GLU 89 2HG GLU 89 14.862 6.216 2.935 648 2HG GLU 89 1HG GLU 89 13.695 6.111 4.252 649 H ASP 90 H ASP 90 16.767 4.293 2.930 650 HA ASP 90 HA ASP 90 14.323 2.955 2.629 651 1HB ASP 90 2HB ASP 90 17.036 2.172 1.543 652 2HB ASP 90 1HB ASP 90 15.487 1.579 0.955 653 H THR 91 H THR 91 17.411 1.878 4.004 654 HA THR 91 HA THR 91 16.934 -0.764 4.529 655 HB THR 91 HB THR 91 18.388 1.299 6.173 656 HG1 THR 91 1HG THR 91 19.883 0.806 4.780 657 1HG2 THR 91 1HG2 THR 91 18.439 -0.081 7.924 658 2HG2 THR 91 2HG2 THR 91 19.310 -1.243 6.921 659 3HG2 THR 91 3HG2 THR 91 17.552 -1.318 7.032 660 H ALA 92 H ALA 92 14.917 -1.399 5.136 661 HA ALA 92 HA ALA 92 14.185 -1.368 7.831 662 1HB ALA 92 1HB ALA 92 13.553 0.858 7.783 663 2HB ALA 92 2HB ALA 92 12.031 0.027 7.458 664 3HB ALA 92 3HB ALA 92 12.939 0.754 6.132 665 H VAL 93 H VAL 93 11.789 -2.051 8.086 666 HA VAL 93 HA VAL 93 11.290 -4.169 6.132 667 HB VAL 93 HB VAL 93 9.847 -3.666 8.741 668 1HG1 VAL 93 1HG1 VAL 93 9.352 -6.129 8.500 669 2HG1 VAL 93 2HG1 VAL 93 9.952 -6.000 6.848 670 3HG1 VAL 93 3HG1 VAL 93 8.543 -5.066 7.349 671 1HG2 VAL 93 1HG2 VAL 93 11.869 -4.150 9.635 672 2HG2 VAL 93 2HG2 VAL 93 12.452 -4.931 8.165 673 3HG2 VAL 93 3HG2 VAL 93 11.385 -5.804 9.264 674 H TYR 94 H TYR 94 9.415 -4.262 4.869 675 HA TYR 94 HA TYR 94 7.748 -1.845 5.018 676 1HB TYR 94 2HB TYR 94 8.626 -3.435 2.614 677 2HB TYR 94 1HB TYR 94 7.362 -2.206 2.549 678 HD1 TYR 94 1HD TYR 94 10.920 -2.698 3.537 679 HD2 TYR 94 2HD TYR 94 7.939 0.040 2.229 680 HE1 TYR 94 1HE TYR 94 12.636 -0.951 3.309 681 HE2 TYR 94 2HE TYR 94 9.650 1.794 1.993 682 HH TYR 94 HH TYR 94 11.806 2.365 2.667 683 H TYR 95 H TYR 95 5.633 -1.945 5.054 684 HA TYR 95 HA TYR 95 4.333 -4.587 5.073 685 1HB TYR 95 2HB TYR 95 3.474 -2.069 6.529 686 2HB TYR 95 1HB TYR 95 2.766 -3.676 6.690 687 HD1 TYR 95 1HD TYR 95 4.329 -5.550 7.574 688 HD2 TYR 95 2HD TYR 95 5.158 -1.398 7.935 689 HE1 TYR 95 1HE TYR 95 5.905 -6.031 9.402 690 HE2 TYR 95 2HE TYR 95 6.728 -1.859 9.758 691 HH TYR 95 HH TYR 95 8.031 -3.618 10.670 692 H CYS 96 H CYS 96 1.923 -4.414 4.599 693 HA CYS 96 HA CYS 96 1.255 -2.261 2.753 694 1HB CYS 96 2HB CYS 96 0.280 -4.045 1.170 695 2HB CYS 96 1HB CYS 96 2.021 -3.799 1.144 696 H ALA 97 H ALA 97 -0.936 -1.781 2.695 697 HA ALA 97 HA ALA 97 -2.867 -3.571 3.861 698 1HB ALA 97 1HB ALA 97 -1.697 -1.376 5.460 699 2HB ALA 97 2HB ALA 97 -2.294 -2.958 5.963 700 3HB ALA 97 3HB ALA 97 -3.432 -1.659 5.602 701 H LYS 98 H LYS 98 -5.025 -2.581 4.093 702 HA LYS 98 HA LYS 98 -5.622 -0.976 1.758 703 1HB LYS 98 2HB LYS 98 -7.046 -2.858 2.143 704 2HB LYS 98 1HB LYS 98 -7.323 -2.388 3.813 705 1HG LYS 98 2HG LYS 98 -8.304 -0.219 2.624 706 2HG LYS 98 1HG LYS 98 -8.566 -1.381 1.323 707 1HD LYS 98 2HD LYS 98 -10.091 -2.591 2.526 708 2HD LYS 98 1HD LYS 98 -9.368 -2.163 4.077 709 1HE LYS 98 2HE LYS 98 -10.741 -0.427 4.336 710 2HE LYS 98 1HE LYS 98 -10.409 0.162 2.707 711 1HZ LYS 98 1HZ LYS 98 -12.059 -2.168 2.684 712 2HZ LYS 98 2HZ LYS 98 -12.328 -0.654 1.980 713 3HZ LYS 98 3HZ LYS 98 -12.758 -0.922 3.593 714 H TYR 99 H TYR 99 -6.708 1.010 1.779 715 HA TYR 99 HA TYR 99 -6.181 2.645 4.124 716 1HB TYR 99 2HB TYR 99 -6.172 3.110 1.357 717 2HB TYR 99 1HB TYR 99 -7.545 4.022 1.973 718 HD1 TYR 99 1HD TYR 99 -3.939 3.412 2.763 719 HD2 TYR 99 2HD TYR 99 -7.178 6.173 2.723 720 HE1 TYR 99 1HE TYR 99 -2.418 5.199 3.490 721 HE2 TYR 99 2HE TYR 99 -5.664 7.967 3.452 722 HH TYR 99 HH TYR 99 -2.438 7.849 3.245 723 H SER 100 H SER 100 -7.697 3.437 5.488 724 HA SER 100 HA SER 100 -10.437 3.740 4.839 725 1HB SER 100 2HB SER 100 -9.684 1.110 5.600 726 2HB SER 100 1HB SER 100 -10.587 1.805 6.945 727 HG SER 100 HG SER 100 -12.339 1.982 5.707 728 H GLY 101 H GLY 101 -11.403 5.099 6.253 729 1HA GLY 101 2HA GLY 101 -11.790 6.267 8.217 730 2HA GLY 101 1HA GLY 101 -10.557 5.293 9.002 731 H GLY 102 H GLY 102 -8.994 6.283 6.379 732 1HA GLY 102 2HA GLY 102 -7.876 8.289 5.794 733 2HA GLY 102 1HA GLY 102 -8.359 8.979 7.336 734 H ALA 103 H ALA 103 -7.352 5.998 8.119 735 HA ALA 103 HA ALA 103 -4.510 6.733 8.292 736 1HB ALA 103 1HB ALA 103 -5.353 7.298 10.436 737 2HB ALA 103 2HB ALA 103 -4.514 5.757 10.616 738 3HB ALA 103 3HB ALA 103 -6.275 5.799 10.545 739 H LEU 104 H LEU 104 -3.173 5.153 7.686 740 HA LEU 104 HA LEU 104 -4.162 2.698 6.696 741 1HB LEU 104 2HB LEU 104 -1.845 4.152 6.404 742 2HB LEU 104 1HB LEU 104 -1.300 2.767 7.322 743 HG LEU 104 HG LEU 104 -1.441 2.896 4.597 744 1HD1 LEU 104 1HD1 LEU 104 -0.520 1.164 6.440 745 2HD1 LEU 104 2HD1 LEU 104 -0.509 0.873 4.699 746 3HD1 LEU 104 3HD1 LEU 104 -1.803 0.207 5.695 747 1HD2 LEU 104 1HD2 LEU 104 -3.802 1.252 5.472 748 2HD2 LEU 104 2HD2 LEU 104 -3.190 1.451 3.831 749 3HD2 LEU 104 3HD2 LEU 104 -3.912 2.821 4.676 750 H ASP 105 H ASP 105 -3.839 0.588 7.429 751 HA ASP 105 HA ASP 105 -3.641 0.369 10.344 752 1HB ASP 105 2HB ASP 105 -5.218 -0.939 8.291 753 2HB ASP 105 1HB ASP 105 -4.383 -2.118 9.299 754 H ALA 106 H ALA 106 -2.251 -0.823 7.365 755 HA ALA 106 HA ALA 106 -0.296 -1.862 6.877 756 1HB ALA 106 1HB ALA 106 0.631 -0.157 8.433 757 2HB ALA 106 2HB ALA 106 1.566 -1.651 8.332 758 3HB ALA 106 3HB ALA 106 0.522 -1.357 9.722 759 H TRP 107 H TRP 107 -0.349 -3.932 6.487 760 HA TRP 107 HA TRP 107 -0.647 -5.806 8.736 761 1HB TRP 107 2HB TRP 107 -1.735 -6.201 5.941 762 2HB TRP 107 1HB TRP 107 -1.939 -7.290 7.309 763 HD1 TRP 107 HD TRP 107 -2.788 -5.088 9.478 764 HE1 TRP 107 1HE TRP 107 -5.123 -4.017 9.323 765 HE3 TRP 107 3HE TRP 107 -3.782 -6.053 4.571 766 HZ2 TRP 107 2HZ TRP 107 -7.128 -3.637 7.367 767 HZ3 TRP 107 3HZ TRP 107 -5.929 -5.307 3.627 768 HH2 TRP 107 HH TRP 107 -7.567 -4.124 4.998 769 H GLY 108 H GLY 108 -0.419 -7.725 6.201 770 1HA GLY 108 2HA GLY 108 1.254 -8.890 5.141 771 2HA GLY 108 1HA GLY 108 2.267 -7.469 5.339 772 H GLN 109 H GLN 109 3.601 -9.691 5.522 773 HA GLN 109 HA GLN 109 3.727 -10.538 8.318 774 1HB GLN 109 2HB GLN 109 4.706 -11.637 5.727 775 2HB GLN 109 1HB GLN 109 5.623 -12.028 7.175 776 1HG GLN 109 2HG GLN 109 3.349 -12.734 8.157 777 2HG GLN 109 1HG GLN 109 2.805 -12.743 6.481 778 1HE2 GLN 109 1HE2 GLN 109 3.540 -14.311 5.094 779 2HE2 GLN 109 2HE2 GLN 109 4.427 -15.696 5.621 780 H GLY 110 H GLY 110 5.265 -8.447 6.101 781 1HA GLY 110 2HA GLY 110 6.785 -6.767 6.844 782 2HA GLY 110 1HA GLY 110 7.331 -7.863 8.104 783 H THR 111 H THR 111 7.934 -6.629 5.010 784 HA THR 111 HA THR 111 9.726 -8.816 4.275 785 HB THR 111 HB THR 111 8.293 -7.865 2.518 786 HG1 THR 111 1HG THR 111 10.678 -8.553 2.261 787 1HG2 THR 111 1HG2 THR 111 9.941 -5.362 2.567 788 2HG2 THR 111 2HG2 THR 111 8.481 -5.491 3.549 789 3HG2 THR 111 3HG2 THR 111 8.382 -5.657 1.796 790 H GLN 112 H GLN 112 11.891 -8.737 4.459 791 HA GLN 112 HA GLN 112 13.058 -6.484 5.852 792 1HB GLN 112 2HB GLN 112 13.740 -9.284 5.400 793 2HB GLN 112 1HB GLN 112 15.129 -8.213 5.257 794 1HG GLN 112 2HG GLN 112 13.286 -8.035 7.607 795 2HG GLN 112 1HG GLN 112 14.573 -9.238 7.546 796 1HE2 GLN 112 1HE2 GLN 112 14.060 -5.763 7.040 797 2HE2 GLN 112 2HE2 GLN 112 15.544 -5.264 7.771 798 H VAL 113 H VAL 113 13.471 -4.754 4.614 799 HA VAL 113 HA VAL 113 14.947 -5.189 2.095 800 HB VAL 113 HB VAL 113 13.152 -2.893 2.896 801 1HG1 VAL 113 1HG1 VAL 113 13.582 -2.056 0.592 802 2HG1 VAL 113 2HG1 VAL 113 14.853 -3.269 0.437 803 3HG1 VAL 113 3HG1 VAL 113 14.993 -1.995 1.651 804 1HG2 VAL 113 1HG2 VAL 113 12.688 -4.443 0.427 805 2HG2 VAL 113 2HG2 VAL 113 11.537 -3.777 1.586 806 3HG2 VAL 113 3HG2 VAL 113 12.378 -5.284 1.945 807 H THR 114 H THR 114 17.065 -4.712 2.275 808 HA THR 114 HA THR 114 17.795 -2.436 4.006 809 HB THR 114 HB THR 114 19.624 -4.791 3.734 810 HG1 THR 114 1HG THR 114 18.626 -5.802 5.398 811 1HG2 THR 114 1HG2 THR 114 19.757 -2.282 4.998 812 2HG2 THR 114 2HG2 THR 114 20.904 -3.616 5.128 813 3HG2 THR 114 3HG2 THR 114 19.579 -3.475 6.284 814 H VAL 115 H VAL 115 19.477 -1.149 3.365 815 HA VAL 115 HA VAL 115 20.581 -1.676 0.687 816 HB VAL 115 HB VAL 115 19.133 0.150 0.374 817 1HG1 VAL 115 1HG1 VAL 115 18.920 2.050 1.773 818 2HG1 VAL 115 2HG1 VAL 115 20.319 1.576 2.736 819 3HG1 VAL 115 3HG1 VAL 115 18.835 0.625 2.810 820 1HG2 VAL 115 1HG2 VAL 115 21.354 0.473 -0.609 821 2HG2 VAL 115 2HG2 VAL 115 21.868 1.326 0.846 822 3HG2 VAL 115 3HG2 VAL 115 20.604 2.009 -0.176 823 H SER 116 H SER 116 22.570 -2.368 1.071 824 HA SER 116 HA SER 116 24.272 -0.784 2.879 825 1HB SER 116 2HB SER 116 23.629 -3.341 3.340 826 2HB SER 116 1HB SER 116 25.011 -3.603 2.276 827 HG SER 116 HG SER 116 25.760 -1.754 3.961 828 H SER 117 H SER 117 26.059 -3.167 1.370 829 HA SER 117 HA SER 117 26.574 -1.795 -1.109 830 1HB SER 117 2HB SER 117 29.139 -1.747 -0.255 831 2HB SER 117 1HB SER 117 28.054 -0.362 -0.136 832 HG SER 117 HG SER 117 29.204 -1.795 1.834 833 H GLN 118 H GLN 118 25.873 -4.485 -0.030 834 HA GLN 118 HA GLN 118 28.004 -5.981 -1.398 835 1HB GLN 118 2HB GLN 118 27.262 -7.883 0.260 836 2HB GLN 118 1HB GLN 118 28.448 -6.682 0.751 837 1HG GLN 118 2HG GLN 118 26.865 -7.037 2.523 838 2HG GLN 118 1HG GLN 118 26.672 -5.410 1.871 839 1HE2 GLN 118 1HE2 GLN 118 24.795 -4.850 0.867 840 2HE2 GLN 118 2HE2 GLN 118 23.395 -5.861 0.827 841 H SER 119 H SER 119 26.804 -8.496 -1.258 842 HA SER 119 HA SER 119 24.110 -8.291 -2.287 843 1HB SER 119 2HB SER 119 26.381 -8.358 -4.068 844 2HB SER 119 1HB SER 119 25.392 -9.802 -4.284 845 HG SER 119 HG SER 119 24.920 -7.380 -5.198 846 H GLU 120 H GLU 120 23.657 -10.674 -3.338 847 HA GLU 120 HA GLU 120 24.887 -12.746 -1.709 848 1HB GLU 120 2HB GLU 120 22.394 -11.549 -1.008 849 2HB GLU 120 1HB GLU 120 22.076 -13.190 -1.555 850 1HG GLU 120 2HG GLU 120 24.346 -13.134 0.208 851 2HG GLU 120 1HG GLU 120 22.946 -12.374 0.964 852 H GLN 121 H GLN 121 25.186 -12.439 -4.392 853 HA GLN 121 HA GLN 121 24.082 -14.901 -5.381 854 1HB GLN 121 2HB GLN 121 22.613 -12.584 -5.893 855 2HB GLN 121 1HB GLN 121 23.513 -12.871 -7.376 856 1HG GLN 121 2HG GLN 121 22.381 -14.765 -7.865 857 2HG GLN 121 1HG GLN 121 22.159 -15.203 -6.172 858 1HE2 GLN 121 1HE2 GLN 121 20.099 -15.277 -5.672 859 2HE2 GLN 121 2HE2 GLN 121 18.874 -14.183 -6.210 860 H LYS 122 H LYS 122 25.416 -11.883 -6.745 861 HA LYS 122 HA LYS 122 27.388 -13.483 -8.202 862 1HB LYS 122 2HB LYS 122 25.874 -11.174 -8.841 863 2HB LYS 122 1HB LYS 122 27.565 -10.691 -8.807 864 1HG LYS 122 2HG LYS 122 28.102 -12.492 -10.379 865 2HG LYS 122 1HG LYS 122 26.398 -12.947 -10.427 866 1HD LYS 122 2HD LYS 122 25.789 -11.054 -11.599 867 2HD LYS 122 1HD LYS 122 27.188 -10.133 -11.042 868 1HE LYS 122 2HE LYS 122 27.167 -10.890 -13.482 869 2HE LYS 122 1HE LYS 122 28.630 -11.194 -12.547 870 1HZ LYS 122 1HZ LYS 122 28.192 -13.443 -12.432 871 2HZ LYS 122 2HZ LYS 122 27.657 -13.068 -13.992 872 3HZ LYS 122 3HZ LYS 122 26.539 -13.261 -12.738 873 H LEU 123 H LEU 123 29.574 -13.195 -8.004 874 HA LEU 123 HA LEU 123 31.561 -12.723 -7.017 875 1HB LEU 123 2HB LEU 123 30.444 -10.313 -7.503 876 2HB LEU 123 1HB LEU 123 30.630 -10.219 -5.762 877 HG LEU 123 HG LEU 123 32.992 -11.103 -7.334 878 1HD1 LEU 123 1HD1 LEU 123 33.034 -9.314 -8.644 879 2HD1 LEU 123 2HD1 LEU 123 33.212 -8.327 -7.192 880 3HD1 LEU 123 3HD1 LEU 123 31.608 -8.634 -7.861 881 1HD2 LEU 123 1HD2 LEU 123 32.366 -9.869 -4.741 882 2HD2 LEU 123 2HD2 LEU 123 33.809 -9.246 -5.541 883 3HD2 LEU 123 3HD2 LEU 123 33.668 -10.970 -5.194 884 H ILE 124 H ILE 124 32.106 -13.972 -5.376 885 HA ILE 124 HA ILE 124 30.535 -14.155 -2.981 886 HB ILE 124 HB ILE 124 32.731 -15.505 -2.276 887 1HG1 ILE 124 2HG1 ILE 124 32.741 -15.779 -5.284 888 2HG1 ILE 124 1HG1 ILE 124 33.864 -14.734 -4.421 889 1HG2 ILE 124 1HG2 ILE 124 30.273 -16.203 -2.812 890 2HG2 ILE 124 2HG2 ILE 124 31.549 -17.419 -2.761 891 3HG2 ILE 124 3HG2 ILE 124 30.979 -16.803 -4.313 892 1HD1 ILE 124 1HD1 ILE 124 34.234 -17.041 -3.085 893 2HD1 ILE 124 2HD1 ILE 124 35.176 -16.550 -4.495 894 3HD1 ILE 124 3HD1 ILE 124 33.816 -17.658 -4.684 895 H SER 125 H SER 125 31.572 -13.973 -0.798 896 HA SER 125 HA SER 125 33.027 -11.439 -0.664 897 1HB SER 125 2HB SER 125 31.550 -12.992 1.473 898 2HB SER 125 1HB SER 125 32.360 -11.446 1.731 899 HG SER 125 HG SER 125 30.530 -11.587 -0.361 900 H GLU 126 H GLU 126 33.305 -14.816 0.225 901 HA GLU 126 HA GLU 126 35.639 -14.490 1.840 902 1HB GLU 126 2HB GLU 126 35.816 -17.041 1.389 903 2HB GLU 126 1HB GLU 126 34.476 -16.435 2.349 904 1HG GLU 126 2HG GLU 126 33.037 -16.511 0.360 905 2HG GLU 126 1HG GLU 126 34.383 -17.175 -0.568 906 H GLU 127 H GLU 127 36.950 -13.185 0.452 907 HA GLU 127 HA GLU 127 38.707 -12.842 -0.946 908 1HB GLU 127 2HB GLU 127 39.595 -14.887 0.128 909 2HB GLU 127 1HB GLU 127 38.812 -15.858 -1.111 910 1HG GLU 127 2HG GLU 127 40.305 -14.015 -2.539 911 2HG GLU 127 1HG GLU 127 41.335 -14.452 -1.177 912 H ASP 128 H ASP 128 38.428 -11.997 -2.886 913 HA ASP 128 HA ASP 128 37.434 -13.667 -5.062 914 1HB ASP 128 2HB ASP 128 35.966 -11.652 -5.760 915 2HB ASP 128 1HB ASP 128 35.377 -12.715 -4.486 916 H LEU 129 H LEU 129 38.865 -13.503 -6.636 917 HA LEU 129 HA LEU 129 39.709 -10.964 -7.657 918 1HB LEU 129 2HB LEU 129 42.136 -11.379 -7.362 919 2HB LEU 129 1HB LEU 129 41.288 -11.065 -5.860 920 HG LEU 129 HG LEU 129 41.208 -13.807 -6.008 921 1HD1 LEU 129 1HD1 LEU 129 42.910 -14.661 -7.151 922 2HD1 LEU 129 2HD1 LEU 129 44.047 -13.507 -6.455 923 3HD1 LEU 129 3HD1 LEU 129 43.113 -13.071 -7.886 924 1HD2 LEU 129 1HD2 LEU 129 43.158 -11.951 -4.659 925 2HD2 LEU 129 2HD2 LEU 129 43.058 -13.678 -4.315 926 3HD2 LEU 129 3HD2 LEU 129 41.674 -12.633 -3.995 927 H ASN 130 H ASN 130 38.773 -13.979 -8.109 928 HA ASN 130 HA ASN 130 40.438 -14.453 -10.485 929 1HB ASN 130 2HB ASN 130 39.304 -16.199 -8.472 930 2HB ASN 130 1HB ASN 130 38.790 -16.686 -10.084 931 1HD2 ASN 130 1HD2 ASN 130 40.479 -16.997 -11.692 932 2HD2 ASN 130 2HD2 ASN 130 42.018 -17.593 -11.180 933 H HIS 131 H HIS 131 37.265 -13.656 -9.402 934 HA HIS 131 HA HIS 131 35.950 -14.371 -11.869 935 1HB HIS 131 2HB HIS 131 34.972 -12.728 -9.523 936 2HB HIS 131 1HB HIS 131 33.974 -13.277 -10.867 937 HD1 HIS 131 1HD HIS 131 36.140 -15.993 -10.210 938 HD2 HIS 131 2HD HIS 131 32.771 -14.461 -8.323 939 HE1 HIS 131 1HE HIS 131 35.258 -17.866 -8.783 940 HE2 HIS 131 2HE HIS 131 33.269 -16.888 -7.586 941 H HIS 132 H HIS 132 37.673 -11.682 -10.631 942 HA HIS 132 HA HIS 132 36.572 -9.887 -12.672 943 1HB HIS 132 2HB HIS 132 37.763 -9.520 -10.025 944 2HB HIS 132 1HB HIS 132 38.425 -8.424 -11.235 945 HD1 HIS 132 1HD HIS 132 35.879 -8.496 -8.816 946 HD2 HIS 132 2HD HIS 132 36.042 -7.216 -12.766 947 HE1 HIS 132 1HE HIS 132 33.956 -6.899 -9.085 948 HE2 HIS 132 2HE HIS 132 34.029 -6.195 -11.503 949 H HIS 133 H HIS 133 38.686 -8.204 -13.096 950 HA HIS 133 HA HIS 133 40.719 -9.957 -14.311 951 1HB HIS 133 2HB HIS 133 39.142 -7.715 -15.465 952 2HB HIS 133 1HB HIS 133 40.829 -7.845 -15.953 953 HD1 HIS 133 1HD HIS 133 39.003 -11.004 -15.291 954 HD2 HIS 133 2HD HIS 133 39.955 -8.603 -18.545 955 HE1 HIS 133 1HE HIS 133 38.519 -12.404 -17.324 956 HE2 HIS 133 2HE HIS 133 39.022 -10.900 -19.281 957 H HIS 134 H HIS 134 42.806 -9.459 -13.964 958 HA HIS 134 HA HIS 134 43.522 -7.670 -11.920 959 1HB HIS 134 2HB HIS 134 44.991 -9.348 -13.887 960 2HB HIS 134 1HB HIS 134 45.890 -8.052 -13.109 961 HD1 HIS 134 1HD HIS 134 45.896 -11.362 -12.727 962 HD2 HIS 134 2HD HIS 134 44.738 -8.391 -10.062 963 HE1 HIS 134 1HE HIS 134 46.091 -12.395 -10.442 964 HE2 HIS 134 2HE HIS 134 45.304 -10.607 -8.852 965 H HIS 135 H HIS 135 44.626 -7.481 -15.306 966 HA HIS 135 HA HIS 135 43.829 -4.771 -15.632 967 1HB HIS 135 2HB HIS 135 45.795 -4.538 -14.074 968 2HB HIS 135 1HB HIS 135 46.806 -5.206 -15.351 969 HD1 HIS 135 1HD HIS 135 44.249 -2.381 -15.165 970 HD2 HIS 135 2HD HIS 135 48.023 -3.212 -16.692 971 HE1 HIS 135 1HE HIS 135 44.994 -0.266 -16.303 972 HE2 HIS 135 2HE HIS 135 47.244 -0.819 -17.293
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