NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10239 | 1pfj | 4901 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -18.287 -12.371 -2.971 2 2H MET 1 2H MET 1 -19.844 -12.180 -3.289 3 3H MET 1 3H MET 1 -18.748 -11.750 -4.373 4 HA MET 1 HA MET 1 -18.173 -13.905 -4.923 5 1HB MET 1 2HB MET 1 -18.784 -14.313 -2.200 6 2HB MET 1 1HB MET 1 -19.903 -15.338 -3.098 7 1HG MET 1 2HG MET 1 -18.177 -16.549 -4.122 8 2HG MET 1 1HG MET 1 -16.988 -15.277 -3.839 9 1HE MET 1 1HE MET 1 -18.033 -18.395 -3.311 10 2HE MET 1 2HE MET 1 -19.037 -18.301 -1.867 11 3HE MET 1 3HE MET 1 -17.422 -18.998 -1.764 12 H ALA 2 H ALA 2 -20.354 -12.016 -5.554 13 HA ALA 2 HA ALA 2 -22.550 -13.896 -6.144 14 1HB ALA 2 1HB ALA 2 -23.839 -11.839 -6.676 15 2HB ALA 2 2HB ALA 2 -22.420 -10.870 -6.279 16 3HB ALA 2 3HB ALA 2 -23.216 -11.821 -5.026 17 H THR 3 H THR 3 -19.907 -12.215 -7.575 18 HA THR 3 HA THR 3 -21.037 -12.733 -10.260 19 HB THR 3 HB THR 3 -18.747 -11.200 -10.596 20 HG1 THR 3 HG1 THR 3 -20.183 -9.876 -8.612 21 1HG2 THR 3 1HG2 THR 3 -20.216 -9.691 -11.532 22 2HG2 THR 3 2HG2 THR 3 -21.363 -9.820 -10.199 23 3HG2 THR 3 3HG2 THR 3 -21.284 -11.090 -11.420 24 H SER 4 H SER 4 -17.804 -12.607 -8.711 25 HA SER 4 HA SER 4 -17.274 -15.300 -9.717 26 1HB SER 4 2HB SER 4 -16.397 -14.313 -11.610 27 2HB SER 4 1HB SER 4 -16.034 -12.802 -10.782 28 HG SER 4 HG SER 4 -14.114 -13.873 -11.157 29 H SER 5 H SER 5 -14.742 -13.008 -8.947 30 HA SER 5 HA SER 5 -14.608 -14.081 -6.205 31 1HB SER 5 2HB SER 5 -11.952 -13.835 -7.189 32 2HB SER 5 1HB SER 5 -12.783 -15.302 -6.678 33 HG SER 5 HG SER 5 -13.696 -15.341 -8.833 34 H GLU 6 H GLU 6 -12.559 -12.806 -5.152 35 HA GLU 6 HA GLU 6 -13.362 -10.104 -5.043 36 1HB GLU 6 2HB GLU 6 -10.603 -11.087 -4.317 37 2HB GLU 6 1HB GLU 6 -11.518 -9.768 -3.589 38 1HG GLU 6 2HG GLU 6 -12.070 -11.316 -2.017 39 2HG GLU 6 1HG GLU 6 -13.236 -11.858 -3.224 40 H GLU 7 H GLU 7 -12.000 -8.235 -5.655 41 HA GLU 7 HA GLU 7 -10.515 -8.780 -8.162 42 1HB GLU 7 2HB GLU 7 -11.928 -6.186 -7.541 43 2HB GLU 7 1HB GLU 7 -11.387 -6.794 -9.106 44 1HG GLU 7 2HG GLU 7 -13.073 -8.796 -8.346 45 2HG GLU 7 1HG GLU 7 -13.859 -7.405 -7.599 46 H VAL 8 H VAL 8 -8.327 -8.528 -7.624 47 HA VAL 8 HA VAL 8 -7.670 -6.515 -5.610 48 HB VAL 8 HB VAL 8 -6.711 -8.710 -5.271 49 1HG1 VAL 8 1HG1 VAL 8 -5.924 -8.423 -8.171 50 2HG1 VAL 8 2HG1 VAL 8 -6.831 -9.727 -7.404 51 3HG1 VAL 8 3HG1 VAL 8 -5.102 -9.560 -7.103 52 1HG2 VAL 8 1HG2 VAL 8 -4.711 -6.723 -6.389 53 2HG2 VAL 8 2HG2 VAL 8 -4.254 -8.173 -5.497 54 3HG2 VAL 8 3HG2 VAL 8 -5.197 -6.913 -4.704 55 H LEU 9 H LEU 9 -5.999 -4.972 -6.054 56 HA LEU 9 HA LEU 9 -6.063 -4.134 -8.869 57 1HB LEU 9 2HB LEU 9 -6.784 -2.470 -7.286 58 2HB LEU 9 1HB LEU 9 -5.304 -2.653 -6.346 59 HG LEU 9 HG LEU 9 -3.988 -1.900 -8.319 60 1HD1 LEU 9 1HD1 LEU 9 -5.191 -2.358 -10.243 61 2HD1 LEU 9 2HD1 LEU 9 -5.602 -0.655 -10.038 62 3HD1 LEU 9 3HD1 LEU 9 -6.731 -1.904 -9.513 63 1HD2 LEU 9 1HD2 LEU 9 -6.216 0.026 -7.585 64 2HD2 LEU 9 2HD2 LEU 9 -4.602 0.452 -8.154 65 3HD2 LEU 9 3HD2 LEU 9 -4.810 -0.296 -6.571 66 H LEU 10 H LEU 10 -3.461 -4.427 -6.288 67 HA LEU 10 HA LEU 10 -1.697 -5.274 -8.443 68 1HB LEU 10 2HB LEU 10 -1.689 -2.804 -8.666 69 2HB LEU 10 1HB LEU 10 -1.152 -2.672 -6.992 70 HG LEU 10 HG LEU 10 0.859 -4.022 -7.561 71 1HD1 LEU 10 1HD1 LEU 10 1.364 -4.447 -9.934 72 2HD1 LEU 10 2HD1 LEU 10 -0.191 -3.754 -10.395 73 3HD1 LEU 10 3HD1 LEU 10 -0.133 -5.252 -9.465 74 1HD2 LEU 10 1HD2 LEU 10 0.317 -1.517 -9.176 75 2HD2 LEU 10 2HD2 LEU 10 1.913 -2.259 -9.062 76 3HD2 LEU 10 3HD2 LEU 10 1.125 -1.634 -7.613 77 H ILE 11 H ILE 11 0.463 -5.908 -7.603 78 HA ILE 11 HA ILE 11 0.553 -6.163 -4.676 79 HB ILE 11 HB ILE 11 -0.320 -8.275 -5.228 80 1HG1 ILE 11 2HG1 ILE 11 2.031 -8.243 -4.074 81 2HG1 ILE 11 1HG1 ILE 11 1.396 -9.773 -4.664 82 1HG2 ILE 11 1HG2 ILE 11 1.443 -8.117 -7.683 83 2HG2 ILE 11 2HG2 ILE 11 -0.320 -8.117 -7.623 84 3HG2 ILE 11 3HG2 ILE 11 0.576 -9.578 -7.208 85 1HD1 ILE 11 1HD1 ILE 11 3.073 -10.000 -6.155 86 2HD1 ILE 11 2HD1 ILE 11 3.866 -8.663 -5.323 87 3HD1 ILE 11 3HD1 ILE 11 2.866 -8.349 -6.741 88 H VAL 12 H VAL 12 2.620 -5.983 -3.886 89 HA VAL 12 HA VAL 12 4.794 -5.792 -5.884 90 HB VAL 12 HB VAL 12 5.813 -4.158 -4.209 91 1HG1 VAL 12 1HG1 VAL 12 3.345 -2.810 -5.015 92 2HG1 VAL 12 2HG1 VAL 12 4.029 -3.786 -6.315 93 3HG1 VAL 12 3HG1 VAL 12 5.001 -2.527 -5.553 94 1HG2 VAL 12 1HG2 VAL 12 3.012 -3.749 -3.231 95 2HG2 VAL 12 2HG2 VAL 12 4.537 -3.354 -2.450 96 3HG2 VAL 12 3HG2 VAL 12 3.988 -5.017 -2.498 97 H LYS 13 H LYS 13 5.755 -7.723 -5.613 98 HA LYS 13 HA LYS 13 5.975 -9.259 -3.295 99 1HB LYS 13 2HB LYS 13 7.254 -10.644 -4.595 100 2HB LYS 13 1HB LYS 13 6.546 -9.656 -5.861 101 1HG LYS 13 2HG LYS 13 9.238 -9.104 -4.588 102 2HG LYS 13 1HG LYS 13 9.018 -9.954 -6.116 103 1HD LYS 13 2HD LYS 13 7.672 -7.306 -5.796 104 2HD LYS 13 1HD LYS 13 9.418 -7.317 -6.047 105 1HE LYS 13 2HE LYS 13 7.693 -9.018 -7.813 106 2HE LYS 13 1HE LYS 13 7.777 -7.284 -8.121 107 1HZ LYS 13 1HZ LYS 13 10.311 -8.387 -7.672 108 2HZ LYS 13 2HZ LYS 13 9.792 -7.540 -8.927 109 3HZ LYS 13 3HZ LYS 13 9.588 -9.127 -8.894 110 H LYS 14 H LYS 14 7.554 -6.417 -4.125 111 HA LYS 14 HA LYS 14 9.574 -6.923 -2.016 112 1HB LYS 14 2HB LYS 14 10.242 -6.423 -4.537 113 2HB LYS 14 1HB LYS 14 9.977 -4.756 -4.027 114 1HG LYS 14 2HG LYS 14 12.290 -5.232 -3.610 115 2HG LYS 14 1HG LYS 14 11.485 -5.242 -2.040 116 1HD LYS 14 2HD LYS 14 11.180 -7.806 -2.519 117 2HD LYS 14 1HD LYS 14 12.509 -7.561 -3.653 118 1HE LYS 14 2HE LYS 14 13.985 -7.584 -1.957 119 2HE LYS 14 1HE LYS 14 13.152 -6.227 -1.198 120 1HZ LYS 14 1HZ LYS 14 13.269 -8.651 -0.167 121 2HZ LYS 14 2HZ LYS 14 11.857 -8.739 -0.913 122 3HZ LYS 14 3HZ LYS 14 12.114 -7.599 0.180 123 H VAL 15 H VAL 15 9.168 -5.813 -0.199 124 HA VAL 15 HA VAL 15 8.680 -3.003 -0.478 125 HB VAL 15 HB VAL 15 6.446 -4.667 0.626 126 1HG1 VAL 15 1HG1 VAL 15 7.178 -2.933 2.336 127 2HG1 VAL 15 2HG1 VAL 15 5.550 -2.702 1.700 128 3HG1 VAL 15 3HG1 VAL 15 6.877 -1.705 1.104 129 1HG2 VAL 15 1HG2 VAL 15 5.948 -4.075 -1.529 130 2HG2 VAL 15 2HG2 VAL 15 6.999 -2.661 -1.490 131 3HG2 VAL 15 3HG2 VAL 15 5.412 -2.600 -0.724 132 H ARG 16 H ARG 16 9.113 -1.817 1.345 133 HA ARG 16 HA ARG 16 10.464 -3.328 3.499 134 1HB ARG 16 2HB ARG 16 12.217 -2.325 2.246 135 2HB ARG 16 1HB ARG 16 11.267 -0.895 1.896 136 1HG ARG 16 2HG ARG 16 11.962 0.143 3.763 137 2HG ARG 16 1HG ARG 16 11.587 -1.253 4.762 138 1HD ARG 16 2HD ARG 16 14.151 -0.545 3.368 139 2HD ARG 16 1HD ARG 16 13.905 -1.104 5.022 140 HE ARG 16 HE ARG 16 13.145 -3.248 3.526 141 1HH1 ARG 16 1HH2 ARG 16 15.893 -1.155 3.680 142 2HH1 ARG 16 2HH2 ARG 16 17.002 -2.360 3.119 143 1HH2 ARG 16 1HH1 ARG 16 14.591 -4.822 2.778 144 2HH2 ARG 16 2HH1 ARG 16 16.269 -4.429 2.612 145 H GLN 17 H GLN 17 9.773 -2.786 5.487 146 HA GLN 17 HA GLN 17 8.511 -0.157 5.793 147 1HB GLN 17 2HB GLN 17 6.561 -1.051 6.833 148 2HB GLN 17 1HB GLN 17 6.775 -1.984 5.368 149 1HG GLN 17 2HG GLN 17 7.765 -3.798 6.616 150 2HG GLN 17 1HG GLN 17 7.729 -2.840 8.094 151 1HE2 GLN 17 1HE2 GLN 17 5.772 -4.766 5.895 152 2HE2 GLN 17 2HE2 GLN 17 4.348 -4.712 6.818 153 H LYS 18 H LYS 18 9.153 0.754 7.675 154 HA LYS 18 HA LYS 18 11.402 0.219 8.939 155 1HB LYS 18 2HB LYS 18 8.869 1.383 9.982 156 2HB LYS 18 1HB LYS 18 10.140 1.028 11.153 157 1HG LYS 18 2HG LYS 18 11.738 2.367 9.886 158 2HG LYS 18 1HG LYS 18 10.540 2.650 8.623 159 1HD LYS 18 2HD LYS 18 9.119 3.869 10.186 160 2HD LYS 18 1HD LYS 18 10.222 3.507 11.514 161 1HE LYS 18 2HE LYS 18 10.682 5.759 10.731 162 2HE LYS 18 1HE LYS 18 12.029 4.721 10.264 163 1HZ LYS 18 1HZ LYS 18 11.627 5.414 8.231 164 2HZ LYS 18 2HZ LYS 18 10.245 6.121 8.620 165 3HZ LYS 18 3HZ LYS 18 10.268 4.569 8.230 166 H LYS 19 H LYS 19 8.544 -1.767 9.412 167 HA LYS 19 HA LYS 19 9.672 -3.071 11.726 168 1HB LYS 19 2HB LYS 19 7.617 -4.062 11.910 169 2HB LYS 19 1HB LYS 19 7.115 -2.857 10.735 170 1HG LYS 19 2HG LYS 19 7.323 -4.449 8.904 171 2HG LYS 19 1HG LYS 19 8.146 -5.603 9.936 172 1HD LYS 19 2HD LYS 19 5.600 -5.883 9.347 173 2HD LYS 19 1HD LYS 19 6.180 -6.257 10.975 174 1HE LYS 19 2HE LYS 19 5.358 -3.438 10.446 175 2HE LYS 19 1HE LYS 19 4.074 -4.643 10.547 176 1HZ LYS 19 1HZ LYS 19 5.960 -4.966 12.587 177 2HZ LYS 19 2HZ LYS 19 4.378 -4.761 12.707 178 3HZ LYS 19 3HZ LYS 19 5.345 -3.488 12.629 179 H GLN 20 H GLN 20 8.979 -4.092 8.405 180 HA GLN 20 HA GLN 20 11.365 -5.744 8.339 181 1HB GLN 20 2HB GLN 20 8.622 -6.754 8.667 182 2HB GLN 20 1HB GLN 20 9.570 -7.547 7.409 183 1HG GLN 20 2HG GLN 20 11.246 -7.102 9.668 184 2HG GLN 20 1HG GLN 20 9.771 -7.894 10.228 185 1HE2 GLN 20 1HE2 GLN 20 12.567 -9.037 9.877 186 2HE2 GLN 20 2HE2 GLN 20 12.365 -10.375 8.852 187 H ASP 21 H ASP 21 11.523 -6.850 6.145 188 HA ASP 21 HA ASP 21 10.408 -4.997 4.131 189 1HB ASP 21 2HB ASP 21 12.546 -7.016 3.483 190 2HB ASP 21 1HB ASP 21 12.297 -5.413 2.776 191 H GLY 22 H GLY 22 8.938 -5.942 2.852 192 1HA GLY 22 2HA GLY 22 8.633 -8.798 2.674 193 2HA GLY 22 1HA GLY 22 7.440 -8.028 3.686 194 H ALA 23 H ALA 23 6.699 -9.307 1.284 195 HA ALA 23 HA ALA 23 6.405 -7.315 -0.727 196 1HB ALA 23 1HB ALA 23 4.927 -9.104 -1.760 197 2HB ALA 23 2HB ALA 23 5.308 -10.100 -0.355 198 3HB ALA 23 3HB ALA 23 6.594 -9.584 -1.445 199 H LEU 24 H LEU 24 4.852 -6.167 -1.135 200 HA LEU 24 HA LEU 24 2.540 -5.975 0.723 201 1HB LEU 24 2HB LEU 24 4.311 -4.073 -0.481 202 2HB LEU 24 1HB LEU 24 2.670 -3.676 -0.951 203 HG LEU 24 HG LEU 24 3.821 -3.939 1.821 204 1HD1 LEU 24 1HD1 LEU 24 4.009 -1.708 1.438 205 2HD1 LEU 24 2HD1 LEU 24 2.249 -1.646 1.545 206 3HD1 LEU 24 3HD1 LEU 24 3.034 -1.804 -0.024 207 1HD2 LEU 24 1HD2 LEU 24 1.276 -3.237 2.303 208 2HD2 LEU 24 2HD2 LEU 24 1.778 -4.927 2.259 209 3HD2 LEU 24 3HD2 LEU 24 1.005 -4.199 0.850 210 H TYR 25 H TYR 25 0.522 -6.335 0.050 211 HA TYR 25 HA TYR 25 -0.003 -6.716 -2.850 212 1HB TYR 25 2HB TYR 25 -0.905 -8.022 -0.322 213 2HB TYR 25 1HB TYR 25 -2.106 -7.844 -1.594 214 HD1 TYR 25 HD1 TYR 25 1.077 -9.421 -0.632 215 HD2 TYR 25 HD2 TYR 25 -1.928 -9.045 -3.671 216 HE1 TYR 25 HE1 TYR 25 1.955 -11.459 -1.735 217 HE2 TYR 25 HE2 TYR 25 -1.062 -11.094 -4.779 218 HH TYR 25 HH TYR 25 1.865 -12.723 -3.598 219 H LEU 26 H LEU 26 -1.704 -5.245 -3.740 220 HA LEU 26 HA LEU 26 -3.089 -3.738 -1.633 221 1HB LEU 26 2HB LEU 26 -1.894 -2.127 -2.844 222 2HB LEU 26 1HB LEU 26 -1.992 -3.041 -4.346 223 HG LEU 26 HG LEU 26 -4.476 -2.557 -4.377 224 1HD1 LEU 26 1HD1 LEU 26 -5.397 -1.690 -2.515 225 2HD1 LEU 26 2HD1 LEU 26 -4.468 -0.217 -2.786 226 3HD1 LEU 26 3HD1 LEU 26 -3.805 -1.504 -1.779 227 1HD2 LEU 26 1HD2 LEU 26 -2.343 -0.453 -4.560 228 2HD2 LEU 26 2HD2 LEU 26 -4.028 0.005 -4.803 229 3HD2 LEU 26 3HD2 LEU 26 -3.283 -1.202 -5.851 230 H MET 27 H MET 27 -5.293 -3.998 -1.635 231 HA MET 27 HA MET 27 -6.482 -5.449 -3.927 232 1HB MET 27 2HB MET 27 -6.568 -6.821 -1.921 233 2HB MET 27 1HB MET 27 -7.209 -5.474 -0.988 234 1HG MET 27 2HG MET 27 -9.328 -5.816 -1.723 235 2HG MET 27 1HG MET 27 -8.789 -6.075 -3.384 236 1HE MET 27 1HE MET 27 -8.754 -9.502 -4.110 237 2HE MET 27 2HE MET 27 -8.651 -7.791 -4.518 238 3HE MET 27 3HE MET 27 -10.204 -8.490 -4.068 239 H ALA 28 H ALA 28 -8.611 -4.719 -4.534 240 HA ALA 28 HA ALA 28 -9.018 -2.093 -4.906 241 1HB ALA 28 1HB ALA 28 -10.811 -3.017 -5.895 242 2HB ALA 28 2HB ALA 28 -11.597 -3.035 -4.316 243 3HB ALA 28 3HB ALA 28 -10.701 -4.450 -4.871 244 H GLU 29 H GLU 29 -10.488 -3.755 -1.977 245 HA GLU 29 HA GLU 29 -10.835 -1.060 -0.906 246 1HB GLU 29 2HB GLU 29 -12.791 -2.467 -1.000 247 2HB GLU 29 1HB GLU 29 -11.914 -3.793 -0.230 248 1HG GLU 29 2HG GLU 29 -12.303 -2.969 1.842 249 2HG GLU 29 1HG GLU 29 -11.849 -1.333 1.369 250 H ARG 30 H ARG 30 -8.293 -3.176 -0.708 251 HA ARG 30 HA ARG 30 -7.703 -2.128 1.931 252 1HB ARG 30 2HB ARG 30 -7.743 -4.035 3.193 253 2HB ARG 30 1HB ARG 30 -9.112 -4.327 2.142 254 1HG ARG 30 2HG ARG 30 -6.874 -5.342 0.774 255 2HG ARG 30 1HG ARG 30 -6.667 -5.836 2.452 256 1HD ARG 30 2HD ARG 30 -8.008 -7.492 1.177 257 2HD ARG 30 1HD ARG 30 -8.936 -6.765 2.484 258 HE ARG 30 HE ARG 30 -9.389 -5.180 0.250 259 1HH1 ARG 30 1HH2 ARG 30 -9.727 -8.494 1.174 260 2HH1 ARG 30 2HH2 ARG 30 -11.087 -8.776 0.140 261 1HH2 ARG 30 1HH1 ARG 30 -11.164 -5.540 -1.098 262 2HH2 ARG 30 2HH1 ARG 30 -11.899 -7.107 -1.143 263 H ILE 31 H ILE 31 -5.614 -2.788 2.756 264 HA ILE 31 HA ILE 31 -3.710 -3.233 0.530 265 HB ILE 31 HB ILE 31 -3.749 -1.405 2.888 266 1HG1 ILE 31 2HG1 ILE 31 -3.973 -0.793 0.421 267 2HG1 ILE 31 1HG1 ILE 31 -2.757 0.105 1.328 268 1HG2 ILE 31 1HG2 ILE 31 -1.842 -2.960 3.391 269 2HG2 ILE 31 2HG2 ILE 31 -1.319 -1.308 3.062 270 3HG2 ILE 31 3HG2 ILE 31 -1.145 -2.552 1.824 271 1HD1 ILE 31 1HD1 ILE 31 -1.926 -2.425 -0.038 272 2HD1 ILE 31 2HD1 ILE 31 -0.986 -0.969 0.288 273 3HD1 ILE 31 3HD1 ILE 31 -2.167 -0.981 -1.022 274 H ALA 32 H ALA 32 -2.629 -5.155 0.644 275 HA ALA 32 HA ALA 32 -2.658 -6.591 3.228 276 1HB ALA 32 1HB ALA 32 -1.963 -8.422 1.295 277 2HB ALA 32 2HB ALA 32 -3.114 -7.385 0.454 278 3HB ALA 32 3HB ALA 32 -3.585 -8.196 1.947 279 H TRP 33 H TRP 33 -0.869 -7.835 3.787 280 HA TRP 33 HA TRP 33 1.663 -7.024 2.493 281 1HB TRP 33 2HB TRP 33 1.332 -5.650 4.544 282 2HB TRP 33 1HB TRP 33 1.258 -7.141 5.484 283 HD1 TRP 33 HD1 TRP 33 3.541 -6.301 2.535 284 HE1 TRP 33 HE1 TRP 33 5.968 -6.517 3.333 285 HE3 TRP 33 HE3 TRP 33 2.907 -7.512 7.478 286 HZ2 TRP 33 HZ2 TRP 33 7.470 -7.070 5.546 287 HZ3 TRP 33 HZ3 TRP 33 4.910 -7.931 8.886 288 HH2 TRP 33 HH2 TRP 33 7.193 -7.739 7.899 289 H ALA 34 H ALA 34 3.255 -8.581 2.558 290 HA ALA 34 HA ALA 34 2.807 -10.994 4.114 291 1HB ALA 34 1HB ALA 34 1.940 -10.911 1.472 292 2HB ALA 34 2HB ALA 34 2.207 -12.353 2.456 293 3HB ALA 34 3HB ALA 34 3.492 -11.748 1.408 294 HA PRO 35 HA PRO 35 7.184 -10.988 3.357 295 1HB PRO 35 2HB PRO 35 7.674 -13.198 5.089 296 2HB PRO 35 1HB PRO 35 7.718 -11.482 5.515 297 1HG PRO 35 2HG PRO 35 5.737 -13.455 6.260 298 2HG PRO 35 1HG PRO 35 5.841 -11.762 6.760 299 1HD PRO 35 2HD PRO 35 3.980 -12.931 4.912 300 2HD PRO 35 1HD PRO 35 4.116 -11.230 5.391 301 H GLU 36 H GLU 36 8.987 -13.013 3.193 302 HA GLU 36 HA GLU 36 8.617 -14.174 0.717 303 1HB GLU 36 2HB GLU 36 10.743 -14.146 2.109 304 2HB GLU 36 1HB GLU 36 10.084 -15.518 3.000 305 1HG GLU 36 2HG GLU 36 11.349 -16.575 1.338 306 2HG GLU 36 1HG GLU 36 9.735 -16.562 0.625 307 H GLY 37 H GLY 37 6.560 -15.101 0.389 308 1HA GLY 37 2HA GLY 37 6.140 -17.641 1.820 309 2HA GLY 37 1HA GLY 37 4.828 -16.464 1.769 310 H LYS 38 H LYS 38 3.344 -17.159 0.303 311 HA LYS 38 HA LYS 38 4.370 -18.351 -2.200 312 1HB LYS 38 2HB LYS 38 1.958 -18.821 -0.515 313 2HB LYS 38 1HB LYS 38 1.769 -18.990 -2.261 314 1HG LYS 38 2HG LYS 38 4.209 -20.268 -1.575 315 2HG LYS 38 1HG LYS 38 3.000 -20.815 -0.412 316 1HD LYS 38 2HD LYS 38 1.741 -21.876 -2.009 317 2HD LYS 38 1HD LYS 38 2.141 -20.694 -3.256 318 1HE LYS 38 2HE LYS 38 4.432 -22.290 -2.299 319 2HE LYS 38 1HE LYS 38 3.192 -23.217 -3.143 320 1HZ LYS 38 1HZ LYS 38 4.990 -22.096 -4.496 321 2HZ LYS 38 2HZ LYS 38 4.185 -20.734 -4.257 322 3HZ LYS 38 3HZ LYS 38 3.482 -21.956 -5.015 323 H ASP 39 H ASP 39 1.067 -17.273 -2.033 324 HA ASP 39 HA ASP 39 1.789 -14.831 -3.521 325 1HB ASP 39 2HB ASP 39 -0.300 -15.494 -4.973 326 2HB ASP 39 1HB ASP 39 1.276 -16.197 -5.337 327 H ARG 40 H ARG 40 0.628 -15.589 -0.778 328 HA ARG 40 HA ARG 40 -1.901 -14.068 -1.041 329 1HB ARG 40 2HB ARG 40 -2.566 -15.091 1.073 330 2HB ARG 40 1HB ARG 40 -2.112 -16.350 -0.076 331 1HG ARG 40 2HG ARG 40 0.297 -15.771 1.130 332 2HG ARG 40 1HG ARG 40 -0.843 -15.597 2.466 333 1HD ARG 40 2HD ARG 40 -0.472 -18.015 0.680 334 2HD ARG 40 1HD ARG 40 -0.151 -17.907 2.410 335 HE ARG 40 HE ARG 40 -2.796 -17.258 2.201 336 1HH1 ARG 40 1HH2 ARG 40 -0.763 -19.831 1.108 337 2HH1 ARG 40 2HH2 ARG 40 -2.017 -21.022 1.179 338 1HH2 ARG 40 1HH1 ARG 40 -4.436 -18.806 2.295 339 2HH2 ARG 40 2HH1 ARG 40 -4.092 -20.444 1.849 340 H PHE 41 H PHE 41 -2.018 -13.362 1.765 341 HA PHE 41 HA PHE 41 0.463 -11.852 2.089 342 1HB PHE 41 2HB PHE 41 -1.436 -10.001 2.866 343 2HB PHE 41 1HB PHE 41 -0.478 -9.952 1.389 344 HD1 PHE 41 HD1 PHE 41 -3.744 -10.584 2.849 345 HD2 PHE 41 HD2 PHE 41 -1.393 -10.860 -0.731 346 HE1 PHE 41 HE1 PHE 41 -5.820 -10.877 1.501 347 HE2 PHE 41 HE2 PHE 41 -3.452 -11.149 -2.077 348 HZ PHE 41 HZ PHE 41 -5.664 -11.160 -0.965 349 H THR 42 H THR 42 0.965 -11.256 4.132 350 HA THR 42 HA THR 42 0.062 -12.901 6.242 351 HB THR 42 HB THR 42 2.344 -11.665 5.817 352 HG1 THR 42 HG1 THR 42 2.159 -12.888 7.604 353 1HG2 THR 42 1HG2 THR 42 1.610 -9.611 7.751 354 2HG2 THR 42 2HG2 THR 42 0.765 -9.404 6.226 355 3HG2 THR 42 3HG2 THR 42 2.522 -9.465 6.246 356 H ILE 43 H ILE 43 -0.762 -9.650 5.209 357 HA ILE 43 HA ILE 43 -3.032 -9.702 7.098 358 HB ILE 43 HB ILE 43 -2.507 -7.365 7.827 359 1HG1 ILE 43 2HG1 ILE 43 0.278 -7.328 7.354 360 2HG1 ILE 43 1HG1 ILE 43 -0.471 -7.714 5.805 361 1HG2 ILE 43 1HG2 ILE 43 -0.683 -8.041 9.372 362 2HG2 ILE 43 2HG2 ILE 43 -0.404 -9.479 8.390 363 3HG2 ILE 43 3HG2 ILE 43 -1.931 -9.281 9.249 364 1HD1 ILE 43 1HD1 ILE 43 -1.994 -5.762 6.088 365 2HD1 ILE 43 2HD1 ILE 43 -0.296 -5.284 6.040 366 3HD1 ILE 43 3HD1 ILE 43 -1.152 -5.352 7.582 367 H SER 44 H SER 44 -4.353 -7.523 6.768 368 HA SER 44 HA SER 44 -4.242 -6.342 4.182 369 1HB SER 44 2HB SER 44 -6.692 -7.303 3.772 370 2HB SER 44 1HB SER 44 -5.270 -8.169 3.197 371 HG SER 44 HG SER 44 -6.308 -8.581 5.791 372 H HIS 45 H HIS 45 -4.947 -4.292 4.711 373 HA HIS 45 HA HIS 45 -6.928 -4.087 6.905 374 1HB HIS 45 2HB HIS 45 -5.811 -1.550 6.168 375 2HB HIS 45 1HB HIS 45 -5.724 -2.373 7.723 376 HD1 HIS 45 HD1 HIS 45 -3.426 -3.063 8.423 377 HD2 HIS 45 HD2 HIS 45 -3.707 -2.603 4.293 378 HE1 HIS 45 HE1 HIS 45 -1.088 -3.401 7.508 379 H MET 46 H MET 46 -8.927 -3.648 6.219 380 HA MET 46 HA MET 46 -9.501 -2.939 3.534 381 1HB MET 46 2HB MET 46 -10.970 -3.625 5.929 382 2HB MET 46 1HB MET 46 -11.730 -2.275 5.092 383 1HG MET 46 2HG MET 46 -12.683 -3.932 3.839 384 2HG MET 46 1HG MET 46 -11.142 -3.882 2.982 385 1HE MET 46 1HE MET 46 -13.551 -5.952 5.177 386 2HE MET 46 2HE MET 46 -12.990 -7.458 4.455 387 3HE MET 46 3HE MET 46 -13.424 -6.100 3.419 388 H TYR 47 H TYR 47 -9.217 -1.030 2.691 389 HA TYR 47 HA TYR 47 -8.397 1.301 3.798 390 1HB TYR 47 2HB TYR 47 -10.258 0.807 1.473 391 2HB TYR 47 1HB TYR 47 -9.771 2.439 1.914 392 HD1 TYR 47 HD1 TYR 47 -6.923 1.026 2.972 393 HD2 TYR 47 HD2 TYR 47 -9.097 1.302 -0.741 394 HE1 TYR 47 HE1 TYR 47 -4.833 0.737 1.707 395 HE2 TYR 47 HE2 TYR 47 -7.017 1.014 -1.968 396 HH TYR 47 HH TYR 47 -3.882 0.920 -0.337 397 H ALA 48 H ALA 48 -11.888 0.381 3.563 398 HA ALA 48 HA ALA 48 -12.753 2.758 4.935 399 1HB ALA 48 1HB ALA 48 -14.905 1.550 5.148 400 2HB ALA 48 2HB ALA 48 -14.122 0.072 4.586 401 3HB ALA 48 3HB ALA 48 -14.273 1.458 3.500 402 H ASP 49 H ASP 49 -11.734 -0.378 5.807 403 HA ASP 49 HA ASP 49 -12.415 -0.371 8.596 404 1HB ASP 49 2HB ASP 49 -10.481 -1.984 6.932 405 2HB ASP 49 1HB ASP 49 -10.631 -2.206 8.674 406 H ILE 50 H ILE 50 -10.338 1.504 6.896 407 HA ILE 50 HA ILE 50 -8.771 2.074 9.312 408 HB ILE 50 HB ILE 50 -6.695 2.204 8.029 409 1HG1 ILE 50 2HG1 ILE 50 -8.374 1.266 5.685 410 2HG1 ILE 50 1HG1 ILE 50 -7.772 2.910 5.890 411 1HG2 ILE 50 1HG2 ILE 50 -6.336 -0.029 8.192 412 2HG2 ILE 50 2HG2 ILE 50 -7.600 -0.400 7.020 413 3HG2 ILE 50 3HG2 ILE 50 -8.019 -0.120 8.710 414 1HD1 ILE 50 1HD1 ILE 50 -5.461 1.552 6.218 415 2HD1 ILE 50 2HD1 ILE 50 -6.027 2.099 4.640 416 3HD1 ILE 50 3HD1 ILE 50 -6.305 0.433 5.147 417 H LYS 51 H LYS 51 -8.363 4.454 9.515 418 HA LYS 51 HA LYS 51 -8.984 5.912 7.055 419 1HB LYS 51 2HB LYS 51 -11.133 5.832 8.189 420 2HB LYS 51 1HB LYS 51 -10.396 6.467 9.659 421 1HG LYS 51 2HG LYS 51 -11.523 8.215 8.156 422 2HG LYS 51 1HG LYS 51 -9.857 8.542 8.635 423 1HD LYS 51 2HD LYS 51 -9.042 7.639 6.492 424 2HD LYS 51 1HD LYS 51 -10.709 7.334 5.989 425 1HE LYS 51 2HE LYS 51 -10.149 9.430 5.016 426 2HE LYS 51 1HE LYS 51 -11.117 9.836 6.433 427 1HZ LYS 51 1HZ LYS 51 -8.876 10.976 6.055 428 2HZ LYS 51 2HZ LYS 51 -8.248 9.649 6.690 429 3HZ LYS 51 3HZ LYS 51 -9.278 10.531 7.539 430 H CYS 52 H CYS 52 -7.149 6.862 6.835 431 HA CYS 52 HA CYS 52 -6.525 9.248 7.958 432 1HB CYS 52 2HB CYS 52 -5.953 7.796 9.995 433 2HB CYS 52 1HB CYS 52 -4.576 7.239 9.051 434 HG CYS 52 HG CYS 52 -4.775 9.927 10.414 435 H GLN 53 H GLN 53 -5.166 10.148 6.396 436 HA GLN 53 HA GLN 53 -3.428 8.223 5.006 437 1HB GLN 53 2HB GLN 53 -5.244 10.100 3.491 438 2HB GLN 53 1HB GLN 53 -4.265 8.782 2.844 439 1HG GLN 53 2HG GLN 53 -5.627 7.230 4.360 440 2HG GLN 53 1HG GLN 53 -6.729 8.589 4.577 441 1HE2 GLN 53 1HE2 GLN 53 -8.224 6.905 3.424 442 2HE2 GLN 53 2HE2 GLN 53 -8.246 6.952 1.728 443 H LYS 54 H LYS 54 -1.519 9.001 4.747 444 HA LYS 54 HA LYS 54 -1.125 11.914 4.497 445 1HB LYS 54 2HB LYS 54 -0.169 11.670 6.574 446 2HB LYS 54 1HB LYS 54 0.022 9.928 6.387 447 1HG LYS 54 2HG LYS 54 2.111 10.119 5.452 448 2HG LYS 54 1HG LYS 54 1.743 11.661 4.677 449 1HD LYS 54 2HD LYS 54 1.571 12.156 7.443 450 2HD LYS 54 1HD LYS 54 3.018 11.169 7.230 451 1HE LYS 54 2HE LYS 54 4.135 12.861 6.238 452 2HE LYS 54 1HE LYS 54 2.782 13.214 5.163 453 1HZ LYS 54 1HZ LYS 54 3.203 15.025 6.644 454 2HZ LYS 54 2HZ LYS 54 3.017 14.096 7.933 455 3HZ LYS 54 3HZ LYS 54 1.769 14.398 6.978 456 H ILE 55 H ILE 55 -0.024 12.379 2.611 457 HA ILE 55 HA ILE 55 1.269 10.079 1.269 458 HB ILE 55 HB ILE 55 0.524 12.693 -0.048 459 1HG1 ILE 55 2HG1 ILE 55 -1.485 11.739 1.100 460 2HG1 ILE 55 1HG1 ILE 55 -1.630 11.717 -0.658 461 1HG2 ILE 55 1HG2 ILE 55 1.529 10.048 -0.844 462 2HG2 ILE 55 2HG2 ILE 55 1.609 11.586 -1.704 463 3HG2 ILE 55 3HG2 ILE 55 0.154 10.594 -1.805 464 1HD1 ILE 55 1HD1 ILE 55 -2.077 9.541 0.923 465 2HD1 ILE 55 2HD1 ILE 55 -0.374 9.314 0.523 466 3HD1 ILE 55 3HD1 ILE 55 -1.572 9.441 -0.764 467 H SER 56 H SER 56 3.349 10.165 1.958 468 HA SER 56 HA SER 56 4.686 12.789 1.830 469 1HB SER 56 2HB SER 56 4.506 10.928 3.916 470 2HB SER 56 1HB SER 56 6.155 10.800 3.310 471 HG SER 56 HG SER 56 6.011 12.451 4.845 472 HA PRO 57 HA PRO 57 7.513 10.496 -0.613 473 1HB PRO 57 2HB PRO 57 6.477 8.554 -2.388 474 2HB PRO 57 1HB PRO 57 7.268 8.320 -0.831 475 1HG PRO 57 2HG PRO 57 4.465 8.038 -1.474 476 2HG PRO 57 1HG PRO 57 5.314 7.520 -0.033 477 1HD PRO 57 2HD PRO 57 3.556 9.743 -0.254 478 2HD PRO 57 1HD PRO 57 4.578 9.312 1.129 479 H GLU 58 H GLU 58 6.832 12.778 -1.521 480 HA GLU 58 HA GLU 58 6.400 12.517 -4.436 481 1HB GLU 58 2HB GLU 58 6.056 14.826 -2.504 482 2HB GLU 58 1HB GLU 58 6.086 15.055 -4.253 483 1HG GLU 58 2HG GLU 58 3.868 14.625 -4.209 484 2HG GLU 58 1HG GLU 58 4.313 12.943 -3.912 485 H GLY 59 H GLY 59 8.435 13.863 -1.888 486 1HA GLY 59 2HA GLY 59 10.735 13.770 -3.677 487 2HA GLY 59 1HA GLY 59 10.388 15.318 -2.886 488 H LYS 60 H LYS 60 10.090 11.934 -1.759 489 HA LYS 60 HA LYS 60 11.605 12.797 0.630 490 1HB LYS 60 2HB LYS 60 9.341 10.807 0.296 491 2HB LYS 60 1HB LYS 60 10.308 10.936 1.773 492 1HG LYS 60 2HG LYS 60 8.474 13.011 0.574 493 2HG LYS 60 1HG LYS 60 8.470 12.352 2.207 494 1HD LYS 60 2HD LYS 60 10.710 13.447 2.574 495 2HD LYS 60 1HD LYS 60 10.506 14.247 1.015 496 1HE LYS 60 2HE LYS 60 9.019 15.735 1.848 497 2HE LYS 60 1HE LYS 60 8.150 14.489 2.744 498 1HZ LYS 60 1HZ LYS 60 10.747 15.370 3.662 499 2HZ LYS 60 2HZ LYS 60 9.546 14.736 4.509 500 3HZ LYS 60 3HZ LYS 60 9.456 16.253 4.006 501 H ALA 61 H ALA 61 12.186 10.671 1.895 502 HA ALA 61 HA ALA 61 14.530 9.651 1.176 503 1HB ALA 61 1HB ALA 61 12.206 8.252 2.474 504 2HB ALA 61 2HB ALA 61 13.702 8.829 3.207 505 3HB ALA 61 3HB ALA 61 13.718 7.390 2.188 506 H LYS 62 H LYS 62 11.710 7.552 0.413 507 HA LYS 62 HA LYS 62 12.452 7.429 -2.337 508 1HB LYS 62 2HB LYS 62 12.847 4.726 -1.706 509 2HB LYS 62 1HB LYS 62 14.047 5.857 -2.306 510 1HG LYS 62 2HG LYS 62 14.738 6.450 -0.071 511 2HG LYS 62 1HG LYS 62 13.331 5.655 0.645 512 1HD LYS 62 2HD LYS 62 14.254 3.570 0.470 513 2HD LYS 62 1HD LYS 62 15.111 3.954 -1.025 514 1HE LYS 62 2HE LYS 62 15.888 4.990 1.717 515 2HE LYS 62 1HE LYS 62 16.658 3.626 0.907 516 1HZ LYS 62 1HZ LYS 62 17.451 6.115 0.634 517 2HZ LYS 62 2HZ LYS 62 16.472 6.016 -0.628 518 3HZ LYS 62 3HZ LYS 62 17.695 4.994 -0.484 519 H ILE 63 H ILE 63 9.850 7.763 -1.041 520 HA ILE 63 HA ILE 63 7.873 7.110 -1.653 521 HB ILE 63 HB ILE 63 7.374 5.542 -3.190 522 1HG1 ILE 63 2HG1 ILE 63 9.194 3.790 -1.716 523 2HG1 ILE 63 1HG1 ILE 63 7.904 3.362 -2.829 524 1HG2 ILE 63 1HG2 ILE 63 10.303 5.798 -3.827 525 2HG2 ILE 63 2HG2 ILE 63 9.280 7.230 -3.726 526 3HG2 ILE 63 3HG2 ILE 63 8.905 5.960 -4.890 527 1HD1 ILE 63 1HD1 ILE 63 10.609 4.298 -3.836 528 2HD1 ILE 63 2HD1 ILE 63 9.370 3.434 -4.718 529 3HD1 ILE 63 3HD1 ILE 63 10.293 2.612 -3.471 530 H GLN 64 H GLN 64 7.425 7.244 0.425 531 HA GLN 64 HA GLN 64 6.786 4.674 1.773 532 1HB GLN 64 2HB GLN 64 7.431 5.533 3.887 533 2HB GLN 64 1HB GLN 64 8.735 5.976 2.793 534 1HG GLN 64 2HG GLN 64 7.645 8.216 2.486 535 2HG GLN 64 1HG GLN 64 6.491 7.767 3.743 536 1HE2 GLN 64 1HE2 GLN 64 9.991 6.982 3.682 537 2HE2 GLN 64 2HE2 GLN 64 10.369 7.857 5.087 538 H LEU 65 H LEU 65 4.643 4.515 2.350 539 HA LEU 65 HA LEU 65 3.140 7.062 2.359 540 1HB LEU 65 2HB LEU 65 1.118 5.677 1.764 541 2HB LEU 65 1HB LEU 65 2.342 5.788 0.510 542 HG LEU 65 HG LEU 65 1.333 3.488 0.908 543 1HD1 LEU 65 1HD1 LEU 65 3.154 3.008 -0.279 544 2HD1 LEU 65 2HD1 LEU 65 3.978 2.672 1.244 545 3HD1 LEU 65 3HD1 LEU 65 4.090 4.275 0.511 546 1HD2 LEU 65 1HD2 LEU 65 1.507 3.767 3.462 547 2HD2 LEU 65 2HD2 LEU 65 3.208 3.347 3.255 548 3HD2 LEU 65 3HD2 LEU 65 1.952 2.207 2.778 549 H GLN 66 H GLN 66 1.146 6.990 3.800 550 HA GLN 66 HA GLN 66 1.469 5.154 6.071 551 1HB GLN 66 2HB GLN 66 2.476 7.773 6.122 552 2HB GLN 66 1HB GLN 66 0.964 7.838 7.029 553 1HG GLN 66 2HG GLN 66 1.682 6.225 8.586 554 2HG GLN 66 1HG GLN 66 2.947 5.622 7.514 555 1HE2 GLN 66 1HE2 GLN 66 4.980 6.252 8.229 556 2HE2 GLN 66 2HE2 GLN 66 5.338 7.731 8.982 557 H LEU 67 H LEU 67 -0.447 4.520 6.838 558 HA LEU 67 HA LEU 67 -2.849 6.186 6.370 559 1HB LEU 67 2HB LEU 67 -2.306 3.988 4.817 560 2HB LEU 67 1HB LEU 67 -3.201 3.253 6.147 561 HG LEU 67 HG LEU 67 -4.235 5.751 4.820 562 1HD1 LEU 67 1HD1 LEU 67 -4.027 3.055 3.667 563 2HD1 LEU 67 2HD1 LEU 67 -4.409 4.586 2.879 564 3HD1 LEU 67 3HD1 LEU 67 -5.678 3.676 3.701 565 1HD2 LEU 67 1HD2 LEU 67 -5.068 4.003 6.914 566 2HD2 LEU 67 2HD2 LEU 67 -6.192 3.796 5.572 567 3HD2 LEU 67 3HD2 LEU 67 -5.931 5.396 6.262 568 H VAL 68 H VAL 68 -4.472 5.777 8.028 569 HA VAL 68 HA VAL 68 -3.402 4.095 10.195 570 HB VAL 68 HB VAL 68 -4.967 6.568 10.846 571 1HG1 VAL 68 1HG1 VAL 68 -3.105 4.690 12.289 572 2HG1 VAL 68 2HG1 VAL 68 -4.809 4.999 12.646 573 3HG1 VAL 68 3HG1 VAL 68 -3.600 6.239 12.963 574 1HG2 VAL 68 1HG2 VAL 68 -2.670 6.817 9.523 575 2HG2 VAL 68 2HG2 VAL 68 -2.015 6.433 11.115 576 3HG2 VAL 68 3HG2 VAL 68 -3.043 7.849 10.904 577 H LEU 69 H LEU 69 -4.929 3.330 11.650 578 HA LEU 69 HA LEU 69 -7.287 2.402 10.250 579 1HB LEU 69 2HB LEU 69 -6.120 1.726 12.963 580 2HB LEU 69 1HB LEU 69 -7.327 0.781 12.118 581 HG LEU 69 HG LEU 69 -4.513 0.498 11.973 582 1HD1 LEU 69 1HD1 LEU 69 -5.201 -1.040 9.973 583 2HD1 LEU 69 2HD1 LEU 69 -6.834 -0.677 10.543 584 3HD1 LEU 69 3HD1 LEU 69 -5.672 -1.445 11.626 585 1HD2 LEU 69 1HD2 LEU 69 -4.287 0.622 9.400 586 2HD2 LEU 69 2HD2 LEU 69 -4.082 2.102 10.333 587 3HD2 LEU 69 3HD2 LEU 69 -5.603 1.790 9.493 588 H HIS 70 H HIS 70 -9.446 2.879 11.007 589 HA HIS 70 HA HIS 70 -9.989 5.299 12.241 590 1HB HIS 70 2HB HIS 70 -12.114 4.064 13.115 591 2HB HIS 70 1HB HIS 70 -11.875 4.154 11.370 592 HD1 HIS 70 HD1 HIS 70 -11.118 1.761 14.244 593 HD2 HIS 70 HD2 HIS 70 -11.854 1.677 10.142 594 HE1 HIS 70 HE1 HIS 70 -11.217 -0.682 13.584 595 H ALA 71 H ALA 71 -9.074 2.249 13.476 596 HA ALA 71 HA ALA 71 -9.366 2.835 16.285 597 1HB ALA 71 1HB ALA 71 -7.366 0.817 15.419 598 2HB ALA 71 2HB ALA 71 -9.028 0.518 14.907 599 3HB ALA 71 3HB ALA 71 -8.649 0.683 16.622 600 H GLY 72 H GLY 72 -6.684 1.952 17.044 601 1HA GLY 72 2HA GLY 72 -5.240 4.447 16.427 602 2HA GLY 72 1HA GLY 72 -5.071 3.527 17.924 603 H ASP 73 H ASP 73 -5.015 2.644 14.545 604 HA ASP 73 HA ASP 73 -2.309 1.519 14.998 605 1HB ASP 73 2HB ASP 73 -4.734 0.223 13.802 606 2HB ASP 73 1HB ASP 73 -3.130 -0.252 13.242 607 H THR 74 H THR 74 -0.860 2.068 13.513 608 HA THR 74 HA THR 74 -1.854 3.576 11.181 609 HB THR 74 HB THR 74 1.023 3.613 11.952 610 HG1 THR 74 HG1 THR 74 0.461 4.107 13.917 611 1HG2 THR 74 1HG2 THR 74 0.919 5.294 10.468 612 2HG2 THR 74 2HG2 THR 74 -0.114 6.180 11.589 613 3HG2 THR 74 3HG2 THR 74 -0.834 5.134 10.367 614 H THR 75 H THR 75 -0.545 3.287 9.159 615 HA THR 75 HA THR 75 0.681 0.624 9.020 616 HB THR 75 HB THR 75 -1.307 1.811 7.054 617 HG1 THR 75 HG1 THR 75 -2.627 0.902 8.406 618 1HG2 THR 75 1HG2 THR 75 0.207 0.556 5.763 619 2HG2 THR 75 2HG2 THR 75 -1.074 -0.601 6.123 620 3HG2 THR 75 3HG2 THR 75 0.435 -0.645 7.034 621 H ASN 76 H ASN 76 2.807 1.288 8.577 622 HA ASN 76 HA ASN 76 3.102 3.493 6.632 623 1HB ASN 76 2HB ASN 76 5.132 2.423 8.615 624 2HB ASN 76 1HB ASN 76 5.298 3.859 7.605 625 1HD2 ASN 76 1HD2 ASN 76 5.610 4.800 9.959 626 2HD2 ASN 76 2HD2 ASN 76 4.199 5.341 10.734 627 H PHE 77 H PHE 77 4.244 3.030 4.740 628 HA PHE 77 HA PHE 77 5.603 0.427 4.678 629 1HB PHE 77 2HB PHE 77 3.042 0.935 3.507 630 2HB PHE 77 1HB PHE 77 4.210 0.637 2.222 631 HD1 PHE 77 HD1 PHE 77 6.115 -1.132 3.573 632 HD2 PHE 77 HD2 PHE 77 1.834 -1.120 3.712 633 HE1 PHE 77 HE1 PHE 77 6.146 -3.531 4.078 634 HE2 PHE 77 HE2 PHE 77 1.855 -3.541 4.222 635 HZ PHE 77 HZ PHE 77 4.039 -4.725 4.395 636 H HIS 78 H HIS 78 7.116 0.211 3.078 637 HA HIS 78 HA HIS 78 7.747 2.595 1.471 638 1HB HIS 78 2HB HIS 78 9.000 2.666 3.692 639 2HB HIS 78 1HB HIS 78 9.868 1.230 3.151 640 HD1 HIS 78 HD1 HIS 78 11.048 1.511 0.709 641 HD2 HIS 78 HD2 HIS 78 10.160 5.039 2.701 642 HE1 HIS 78 HE1 HIS 78 12.283 3.365 -0.471 643 H PHE 79 H PHE 79 9.087 2.227 -0.224 644 HA PHE 79 HA PHE 79 9.633 -0.611 -0.963 645 1HB PHE 79 2HB PHE 79 8.897 1.635 -2.836 646 2HB PHE 79 1HB PHE 79 9.058 -0.061 -3.236 647 HD1 PHE 79 HD1 PHE 79 7.037 2.379 -1.255 648 HD2 PHE 79 HD2 PHE 79 7.165 -1.488 -3.129 649 HE1 PHE 79 HE1 PHE 79 4.576 2.141 -0.942 650 HE2 PHE 79 HE2 PHE 79 4.729 -1.712 -2.799 651 HZ PHE 79 HZ PHE 79 3.447 0.068 -1.705 652 H SER 80 H SER 80 12.009 -0.775 -1.809 653 HA SER 80 HA SER 80 13.145 1.429 -2.974 654 1HB SER 80 2HB SER 80 13.709 2.763 -1.294 655 2HB SER 80 1HB SER 80 13.114 1.612 -0.112 656 HG SER 80 HG SER 80 15.080 0.694 0.013 657 H ASN 81 H ASN 81 15.122 0.882 -3.767 658 HA ASN 81 HA ASN 81 16.544 -1.408 -2.682 659 1HB ASN 81 2HB ASN 81 15.138 -1.444 -5.334 660 2HB ASN 81 1HB ASN 81 16.629 -2.357 -5.115 661 1HD2 ASN 81 1HD2 ASN 81 13.377 -1.918 -3.636 662 2HD2 ASN 81 2HD2 ASN 81 13.287 -3.489 -3.002 663 H GLU 82 H GLU 82 18.482 -1.758 -4.511 664 HA GLU 82 HA GLU 82 20.071 0.518 -4.320 665 1HB GLU 82 2HB GLU 82 20.758 -1.852 -5.036 666 2HB GLU 82 1HB GLU 82 20.198 -1.408 -6.649 667 1HG GLU 82 2HG GLU 82 21.853 0.702 -5.599 668 2HG GLU 82 1HG GLU 82 22.716 -0.832 -5.486 669 H SER 83 H SER 83 17.712 -0.445 -6.763 670 HA SER 83 HA SER 83 17.585 2.331 -7.640 671 1HB SER 83 2HB SER 83 17.899 0.258 -9.777 672 2HB SER 83 1HB SER 83 18.172 1.996 -9.860 673 HG SER 83 HG SER 83 20.108 1.746 -8.996 674 H THR 84 H THR 84 15.783 0.087 -6.401 675 HA THR 84 HA THR 84 13.745 0.149 -8.543 676 HB THR 84 HB THR 84 13.460 -1.564 -6.107 677 HG1 THR 84 HG1 THR 84 15.092 -2.182 -8.342 678 1HG2 THR 84 1HG2 THR 84 12.496 -3.094 -7.839 679 2HG2 THR 84 2HG2 THR 84 12.789 -1.841 -9.046 680 3HG2 THR 84 3HG2 THR 84 11.660 -1.546 -7.723 681 H ALA 85 H ALA 85 14.484 2.199 -6.205 682 HA ALA 85 HA ALA 85 11.796 2.268 -5.002 683 1HB ALA 85 1HB ALA 85 12.699 3.565 -3.314 684 2HB ALA 85 2HB ALA 85 13.821 4.381 -4.403 685 3HB ALA 85 3HB ALA 85 14.188 2.760 -3.811 686 H VAL 86 H VAL 86 11.095 2.699 -7.280 687 HA VAL 86 HA VAL 86 10.961 5.578 -7.700 688 HB VAL 86 HB VAL 86 11.749 3.987 -10.104 689 1HG1 VAL 86 1HG1 VAL 86 11.490 6.766 -9.262 690 2HG1 VAL 86 2HG1 VAL 86 11.603 6.098 -10.890 691 3HG1 VAL 86 3HG1 VAL 86 13.071 6.445 -9.976 692 1HG2 VAL 86 1HG2 VAL 86 14.126 4.346 -9.603 693 2HG2 VAL 86 2HG2 VAL 86 13.392 3.358 -8.340 694 3HG2 VAL 86 3HG2 VAL 86 13.708 5.068 -8.050 695 H LYS 87 H LYS 87 10.172 4.903 -10.586 696 HA LYS 87 HA LYS 87 7.537 5.215 -10.622 697 1HB LYS 87 2HB LYS 87 9.470 4.048 -12.400 698 2HB LYS 87 1HB LYS 87 7.945 3.172 -12.525 699 1HG LYS 87 2HG LYS 87 6.971 5.673 -12.499 700 2HG LYS 87 1HG LYS 87 8.560 6.011 -13.188 701 1HD LYS 87 2HD LYS 87 8.194 4.540 -15.024 702 2HD LYS 87 1HD LYS 87 6.791 3.802 -14.249 703 1HE LYS 87 2HE LYS 87 6.903 6.723 -15.034 704 2HE LYS 87 1HE LYS 87 6.238 5.466 -16.077 705 1HZ LYS 87 1HZ LYS 87 4.991 6.738 -13.990 706 2HZ LYS 87 2HZ LYS 87 5.160 5.208 -13.552 707 3HZ LYS 87 3HZ LYS 87 4.400 5.571 -14.913 708 H GLU 88 H GLU 88 8.959 1.910 -10.417 709 HA GLU 88 HA GLU 88 6.766 0.328 -10.356 710 1HB GLU 88 2HB GLU 88 8.049 -0.720 -8.205 711 2HB GLU 88 1HB GLU 88 8.640 -0.926 -9.842 712 1HG GLU 88 2HG GLU 88 9.537 1.581 -8.607 713 2HG GLU 88 1HG GLU 88 10.107 0.134 -7.779 714 H ARG 89 H ARG 89 8.085 1.346 -7.329 715 HA ARG 89 HA ARG 89 5.766 1.028 -5.797 716 1HB ARG 89 2HB ARG 89 7.691 3.130 -4.974 717 2HB ARG 89 1HB ARG 89 7.059 1.777 -4.053 718 1HG ARG 89 2HG ARG 89 9.243 1.654 -6.164 719 2HG ARG 89 1HG ARG 89 9.448 1.381 -4.458 720 1HD ARG 89 2HD ARG 89 7.888 -0.570 -4.605 721 2HD ARG 89 1HD ARG 89 7.834 -0.342 -6.350 722 HE ARG 89 HE ARG 89 10.505 -0.499 -5.797 723 1HH1 ARG 89 1HH2 ARG 89 7.692 -2.386 -5.109 724 2HH1 ARG 89 2HH2 ARG 89 8.547 -3.892 -5.109 725 1HH2 ARG 89 1HH1 ARG 89 11.625 -2.456 -5.799 726 2HH2 ARG 89 2HH1 ARG 89 10.770 -3.932 -5.501 727 H ASP 90 H ASP 90 7.185 3.761 -7.432 728 HA ASP 90 HA ASP 90 5.631 5.897 -6.689 729 1HB ASP 90 2HB ASP 90 7.341 5.508 -8.749 730 2HB ASP 90 1HB ASP 90 5.815 5.500 -9.634 731 H ALA 91 H ALA 91 4.720 3.633 -9.324 732 HA ALA 91 HA ALA 91 2.059 4.512 -9.507 733 1HB ALA 91 1HB ALA 91 2.288 3.151 -11.284 734 2HB ALA 91 2HB ALA 91 2.079 1.791 -10.181 735 3HB ALA 91 3HB ALA 91 3.699 2.369 -10.570 736 H VAL 92 H VAL 92 3.592 2.070 -7.411 737 HA VAL 92 HA VAL 92 1.291 0.789 -6.441 738 HB VAL 92 HB VAL 92 3.798 1.631 -4.954 739 1HG1 VAL 92 1HG1 VAL 92 1.229 0.626 -3.964 740 2HG1 VAL 92 2HG1 VAL 92 2.575 1.336 -3.074 741 3HG1 VAL 92 3HG1 VAL 92 2.596 -0.381 -3.491 742 1HG2 VAL 92 1HG2 VAL 92 3.877 -1.005 -4.906 743 2HG2 VAL 92 2HG2 VAL 92 4.413 -0.133 -6.347 744 3HG2 VAL 92 3HG2 VAL 92 2.805 -0.859 -6.302 745 H LYS 93 H LYS 93 2.898 3.525 -4.810 746 HA LYS 93 HA LYS 93 0.782 4.270 -3.181 747 1HB LYS 93 2HB LYS 93 2.766 5.437 -2.774 748 2HB LYS 93 1HB LYS 93 3.021 5.793 -4.486 749 1HG LYS 93 2HG LYS 93 1.669 7.636 -4.440 750 2HG LYS 93 1HG LYS 93 0.534 6.901 -3.308 751 1HD LYS 93 2HD LYS 93 1.454 8.179 -1.698 752 2HD LYS 93 1HD LYS 93 2.909 7.193 -1.848 753 1HE LYS 93 2HE LYS 93 3.204 9.733 -2.136 754 2HE LYS 93 1HE LYS 93 3.905 8.708 -3.388 755 1HZ LYS 93 1HZ LYS 93 2.343 10.687 -3.958 756 2HZ LYS 93 2HZ LYS 93 1.199 9.587 -3.760 757 3HZ LYS 93 3HZ LYS 93 2.348 9.357 -4.848 758 H ASP 94 H ASP 94 1.557 5.296 -6.487 759 HA ASP 94 HA ASP 94 -0.481 7.027 -7.065 760 1HB ASP 94 2HB ASP 94 1.419 6.001 -8.567 761 2HB ASP 94 1HB ASP 94 0.162 4.852 -9.028 762 H LEU 95 H LEU 95 -0.745 3.602 -6.402 763 HA LEU 95 HA LEU 95 -3.446 3.476 -7.498 764 1HB LEU 95 2HB LEU 95 -2.260 1.495 -5.561 765 2HB LEU 95 1HB LEU 95 -3.443 1.215 -6.836 766 HG LEU 95 HG LEU 95 -0.470 1.622 -7.088 767 1HD1 LEU 95 1HD1 LEU 95 -1.359 -0.336 -8.829 768 2HD1 LEU 95 2HD1 LEU 95 -2.437 -0.516 -7.444 769 3HD1 LEU 95 3HD1 LEU 95 -0.690 -0.624 -7.222 770 1HD2 LEU 95 1HD2 LEU 95 -1.146 3.083 -8.790 771 2HD2 LEU 95 2HD2 LEU 95 -2.641 2.198 -9.090 772 3HD2 LEU 95 3HD2 LEU 95 -1.102 1.542 -9.646 773 H LEU 96 H LEU 96 -1.810 3.380 -4.363 774 HA LEU 96 HA LEU 96 -3.803 3.331 -2.534 775 1HB LEU 96 2HB LEU 96 -1.506 5.309 -2.633 776 2HB LEU 96 1HB LEU 96 -2.469 4.985 -1.201 777 HG LEU 96 HG LEU 96 -0.398 3.291 -2.528 778 1HD1 LEU 96 1HD1 LEU 96 -0.192 2.629 -0.034 779 2HD1 LEU 96 2HD1 LEU 96 -1.292 3.975 0.264 780 3HD1 LEU 96 3HD1 LEU 96 0.272 4.266 -0.500 781 1HD2 LEU 96 1HD2 LEU 96 -2.943 2.235 -1.288 782 2HD2 LEU 96 2HD2 LEU 96 -1.447 1.301 -1.238 783 3HD2 LEU 96 3HD2 LEU 96 -2.164 1.736 -2.790 784 H GLN 97 H GLN 97 -2.692 6.431 -3.848 785 HA GLN 97 HA GLN 97 -4.990 7.865 -2.919 786 1HB GLN 97 2HB GLN 97 -3.195 8.680 -5.216 787 2HB GLN 97 1HB GLN 97 -4.204 9.731 -4.225 788 1HG GLN 97 2HG GLN 97 -2.404 10.005 -2.899 789 2HG GLN 97 1HG GLN 97 -2.687 8.348 -2.362 790 1HE2 GLN 97 1HE2 GLN 97 -2.029 7.310 -5.163 791 2HE2 GLN 97 2HE2 GLN 97 -0.335 7.364 -5.216 792 H GLN 98 H GLN 98 -4.783 5.604 -5.329 793 HA GLN 98 HA GLN 98 -6.708 6.854 -7.114 794 1HB GLN 98 2HB GLN 98 -4.697 5.282 -7.705 795 2HB GLN 98 1HB GLN 98 -5.813 3.992 -7.249 796 1HG GLN 98 2HG GLN 98 -7.433 5.514 -8.824 797 2HG GLN 98 1HG GLN 98 -5.873 5.792 -9.599 798 1HE2 GLN 98 1HE2 GLN 98 -7.090 2.825 -7.959 799 2HE2 GLN 98 2HE2 GLN 98 -6.924 1.826 -9.320 800 H LEU 99 H LEU 99 -6.547 4.319 -4.624 801 HA LEU 99 HA LEU 99 -9.378 3.654 -5.033 802 1HB LEU 99 2HB LEU 99 -8.087 2.675 -2.579 803 2HB LEU 99 1HB LEU 99 -8.940 1.768 -3.809 804 HG LEU 99 HG LEU 99 -6.681 2.458 -5.167 805 1HD1 LEU 99 1HD1 LEU 99 -5.299 3.337 -3.610 806 2HD1 LEU 99 2HD1 LEU 99 -5.044 1.669 -3.122 807 3HD1 LEU 99 3HD1 LEU 99 -6.218 2.679 -2.267 808 1HD2 LEU 99 1HD2 LEU 99 -5.976 0.102 -3.839 809 2HD2 LEU 99 2HD2 LEU 99 -6.900 0.208 -5.337 810 3HD2 LEU 99 3HD2 LEU 99 -7.739 0.107 -3.790 811 H LEU 100 H LEU 100 -7.343 5.591 -3.025 812 HA LEU 100 HA LEU 100 -8.719 5.933 -0.726 813 1HB LEU 100 2HB LEU 100 -6.832 7.263 -0.770 814 2HB LEU 100 1HB LEU 100 -7.093 7.760 -2.438 815 HG LEU 100 HG LEU 100 -8.880 9.278 -1.744 816 1HD1 LEU 100 1HD1 LEU 100 -8.300 8.847 1.148 817 2HD1 LEU 100 2HD1 LEU 100 -9.294 7.634 0.341 818 3HD1 LEU 100 3HD1 LEU 100 -9.806 9.322 0.362 819 1HD2 LEU 100 1HD2 LEU 100 -6.392 9.549 -0.025 820 2HD2 LEU 100 2HD2 LEU 100 -7.526 10.852 -0.385 821 3HD2 LEU 100 3HD2 LEU 100 -6.572 10.131 -1.681 822 HA PRO 101 HA PRO 101 -11.756 8.694 -3.194 823 1HB PRO 101 2HB PRO 101 -11.533 7.309 -5.818 824 2HB PRO 101 1HB PRO 101 -11.757 9.035 -5.482 825 1HG PRO 101 2HG PRO 101 -9.369 7.911 -6.249 826 2HG PRO 101 1HG PRO 101 -9.487 9.397 -5.290 827 1HD PRO 101 2HD PRO 101 -8.548 6.769 -4.465 828 2HD PRO 101 1HD PRO 101 -8.446 8.306 -3.593 829 H LYS 102 H LYS 102 -11.498 5.307 -3.038 830 HA LYS 102 HA LYS 102 -14.215 4.751 -3.936 831 1HB LYS 102 2HB LYS 102 -12.384 2.932 -2.380 832 2HB LYS 102 1HB LYS 102 -13.742 2.478 -3.394 833 1HG LYS 102 2HG LYS 102 -12.361 3.666 -5.287 834 2HG LYS 102 1HG LYS 102 -11.011 3.425 -4.177 835 1HD LYS 102 2HD LYS 102 -10.880 1.244 -4.677 836 2HD LYS 102 1HD LYS 102 -12.602 1.019 -4.366 837 1HE LYS 102 2HE LYS 102 -12.840 2.254 -6.706 838 2HE LYS 102 1HE LYS 102 -11.206 1.633 -6.942 839 1HZ LYS 102 1HZ LYS 102 -12.029 -0.372 -7.215 840 2HZ LYS 102 2HZ LYS 102 -13.505 0.245 -7.247 841 3HZ LYS 102 3HZ LYS 102 -12.903 -0.315 -5.874 842 H PHE 103 H PHE 103 -12.442 4.740 -0.868 843 HA PHE 103 HA PHE 103 -14.999 4.374 0.499 844 1HB PHE 103 2HB PHE 103 -13.386 3.988 2.506 845 2HB PHE 103 1HB PHE 103 -13.493 2.725 1.282 846 HD1 PHE 103 HD1 PHE 103 -11.336 5.032 2.992 847 HD2 PHE 103 HD2 PHE 103 -11.744 2.784 -0.651 848 HE1 PHE 103 HE1 PHE 103 -8.909 5.290 2.552 849 HE2 PHE 103 HE2 PHE 103 -9.330 3.057 -1.098 850 HZ PHE 103 HZ PHE 103 -7.903 4.304 0.510 851 H LYS 104 H LYS 104 -13.173 6.881 -0.520 852 HA LYS 104 HA LYS 104 -14.274 8.659 1.466 853 1HB LYS 104 2HB LYS 104 -11.259 8.442 1.161 854 2HB LYS 104 1HB LYS 104 -12.111 9.657 2.109 855 1HG LYS 104 2HG LYS 104 -12.217 6.669 2.615 856 2HG LYS 104 1HG LYS 104 -11.242 7.818 3.526 857 1HD LYS 104 2HD LYS 104 -14.186 8.311 3.249 858 2HD LYS 104 1HD LYS 104 -13.620 7.117 4.410 859 1HE LYS 104 2HE LYS 104 -11.984 9.459 4.636 860 2HE LYS 104 1HE LYS 104 -13.676 9.949 4.700 861 1HZ LYS 104 1HZ LYS 104 -12.868 9.341 6.855 862 2HZ LYS 104 2HZ LYS 104 -12.456 7.879 6.354 863 3HZ LYS 104 3HZ LYS 104 -13.998 8.302 6.401 864 H ARG 105 H ARG 105 -15.262 9.762 -0.288 865 HA ARG 105 HA ARG 105 -13.851 10.354 -2.691 866 1HB ARG 105 2HB ARG 105 -16.482 10.903 -1.520 867 2HB ARG 105 1HB ARG 105 -15.867 12.237 -2.497 868 1HG ARG 105 2HG ARG 105 -16.088 11.074 -4.430 869 2HG ARG 105 1HG ARG 105 -15.434 9.599 -3.716 870 1HD ARG 105 2HD ARG 105 -17.726 9.508 -2.451 871 2HD ARG 105 1HD ARG 105 -18.271 10.593 -3.730 872 HE ARG 105 HE ARG 105 -17.028 8.562 -5.076 873 1HH1 ARG 105 1HH2 ARG 105 -19.490 8.833 -2.665 874 2HH1 ARG 105 2HH2 ARG 105 -20.335 7.416 -3.189 875 1HH2 ARG 105 1HH1 ARG 105 -18.124 6.714 -5.763 876 2HH2 ARG 105 2HH1 ARG 105 -19.565 6.218 -4.939 877 H LYS 106 H LYS 106 -12.409 11.970 -3.051 878 HA LYS 106 HA LYS 106 -11.961 13.905 -0.893 879 1HB LYS 106 2HB LYS 106 -10.022 12.686 -1.834 880 2HB LYS 106 1HB LYS 106 -10.383 13.358 -3.424 881 1HG LYS 106 2HG LYS 106 -10.102 15.268 -1.145 882 2HG LYS 106 1HG LYS 106 -8.632 14.533 -1.786 883 1HD LYS 106 2HD LYS 106 -10.426 15.433 -3.907 884 2HD LYS 106 1HD LYS 106 -9.936 16.753 -2.844 885 1HE LYS 106 2HE LYS 106 -7.637 16.399 -3.273 886 2HE LYS 106 1HE LYS 106 -7.921 14.788 -3.932 887 1HZ LYS 106 1HZ LYS 106 -9.320 16.165 -5.592 888 2HZ LYS 106 2HZ LYS 106 -7.744 15.993 -5.809 889 3HZ LYS 106 3HZ LYS 106 -8.320 17.347 -5.181 890 H ALA 107 H ALA 107 -12.388 13.915 -4.450 891 HA ALA 107 HA ALA 107 -13.444 16.666 -4.151 892 1HB ALA 107 1HB ALA 107 -11.565 16.994 -5.475 893 2HB ALA 107 2HB ALA 107 -12.778 16.674 -6.714 894 3HB ALA 107 3HB ALA 107 -11.675 15.393 -6.208 895 H ASN 108 H ASN 108 -15.165 17.203 -5.740 896 HA ASN 108 HA ASN 108 -17.217 15.302 -5.779 897 1HB ASN 108 2HB ASN 108 -16.850 17.985 -6.622 898 2HB ASN 108 1HB ASN 108 -17.475 17.097 -8.013 899 1HD2 ASN 108 1HD2 ASN 108 -19.691 16.581 -7.998 900 2HD2 ASN 108 2HD2 ASN 108 -20.711 16.791 -6.657 Start of MODEL 2 1 1H MET 1 1H MET 1 -16.514 -11.109 -17.749 2 2H MET 1 2H MET 1 -15.087 -11.149 -18.471 3 3H MET 1 3H MET 1 -15.501 -9.879 -17.591 4 HA MET 1 HA MET 1 -13.902 -11.419 -16.509 5 1HB MET 1 2HB MET 1 -15.230 -11.374 -14.338 6 2HB MET 1 1HB MET 1 -15.038 -9.812 -15.136 7 1HG MET 1 2HG MET 1 -17.258 -9.846 -15.979 8 2HG MET 1 1HG MET 1 -17.445 -11.566 -15.638 9 1HE MET 1 1HE MET 1 -16.373 -8.328 -14.285 10 2HE MET 1 2HE MET 1 -15.743 -9.079 -12.821 11 3HE MET 1 3HE MET 1 -17.192 -8.080 -12.737 12 H ALA 2 H ALA 2 -13.957 -13.403 -15.111 13 HA ALA 2 HA ALA 2 -15.874 -15.378 -16.208 14 1HB ALA 2 1HB ALA 2 -13.743 -15.969 -17.077 15 2HB ALA 2 2HB ALA 2 -13.977 -17.033 -15.689 16 3HB ALA 2 3HB ALA 2 -12.936 -15.616 -15.549 17 H THR 3 H THR 3 -14.600 -13.850 -13.416 18 HA THR 3 HA THR 3 -16.258 -15.606 -11.754 19 HB THR 3 HB THR 3 -13.626 -14.930 -10.579 20 HG1 THR 3 HG1 THR 3 -12.929 -16.999 -11.717 21 1HG2 THR 3 1HG2 THR 3 -15.108 -17.561 -10.723 22 2HG2 THR 3 2HG2 THR 3 -15.501 -16.309 -9.545 23 3HG2 THR 3 3HG2 THR 3 -13.906 -17.062 -9.534 24 H SER 4 H SER 4 -17.563 -14.210 -10.677 25 HA SER 4 HA SER 4 -16.758 -11.438 -10.350 26 1HB SER 4 2HB SER 4 -19.249 -12.934 -9.487 27 2HB SER 4 1HB SER 4 -19.019 -11.193 -9.350 28 HG SER 4 HG SER 4 -18.796 -12.652 -11.775 29 H SER 5 H SER 5 -14.869 -12.446 -8.948 30 HA SER 5 HA SER 5 -15.816 -12.779 -6.169 31 1HB SER 5 2HB SER 5 -13.029 -13.303 -7.213 32 2HB SER 5 1HB SER 5 -13.752 -13.878 -5.713 33 HG SER 5 HG SER 5 -14.490 -14.580 -8.367 34 H GLU 6 H GLU 6 -13.361 -12.030 -4.949 35 HA GLU 6 HA GLU 6 -13.725 -9.240 -4.741 36 1HB GLU 6 2HB GLU 6 -11.154 -9.497 -3.923 37 2HB GLU 6 1HB GLU 6 -12.541 -9.849 -2.904 38 1HG GLU 6 2HG GLU 6 -12.380 -12.198 -3.362 39 2HG GLU 6 1HG GLU 6 -11.235 -11.915 -4.674 40 H GLU 7 H GLU 7 -12.387 -7.528 -5.475 41 HA GLU 7 HA GLU 7 -10.817 -8.235 -7.889 42 1HB GLU 7 2HB GLU 7 -12.154 -5.566 -7.557 43 2HB GLU 7 1HB GLU 7 -11.679 -6.395 -9.039 44 1HG GLU 7 2HG GLU 7 -13.433 -8.157 -8.460 45 2HG GLU 7 1HG GLU 7 -14.013 -7.037 -7.226 46 H VAL 8 H VAL 8 -8.622 -7.951 -7.226 47 HA VAL 8 HA VAL 8 -8.149 -5.756 -5.356 48 HB VAL 8 HB VAL 8 -6.205 -6.898 -4.751 49 1HG1 VAL 8 1HG1 VAL 8 -8.436 -8.346 -4.712 50 2HG1 VAL 8 2HG1 VAL 8 -6.887 -9.061 -4.263 51 3HG1 VAL 8 3HG1 VAL 8 -7.547 -9.327 -5.876 52 1HG2 VAL 8 1HG2 VAL 8 -5.033 -8.506 -6.244 53 2HG2 VAL 8 2HG2 VAL 8 -5.175 -6.914 -6.991 54 3HG2 VAL 8 3HG2 VAL 8 -6.251 -8.221 -7.488 55 H LEU 9 H LEU 9 -6.488 -4.188 -5.878 56 HA LEU 9 HA LEU 9 -6.473 -3.697 -8.761 57 1HB LEU 9 2HB LEU 9 -7.331 -1.888 -7.531 58 2HB LEU 9 1HB LEU 9 -6.028 -1.959 -6.350 59 HG LEU 9 HG LEU 9 -4.415 -1.263 -8.061 60 1HD1 LEU 9 1HD1 LEU 9 -5.166 -0.648 -10.306 61 2HD1 LEU 9 2HD1 LEU 9 -6.829 -1.060 -9.888 62 3HD1 LEU 9 3HD1 LEU 9 -5.603 -2.325 -9.982 63 1HD2 LEU 9 1HD2 LEU 9 -6.735 0.316 -7.219 64 2HD2 LEU 9 2HD2 LEU 9 -6.001 0.930 -8.700 65 3HD2 LEU 9 3HD2 LEU 9 -5.028 0.760 -7.239 66 H LEU 10 H LEU 10 -3.957 -4.218 -6.167 67 HA LEU 10 HA LEU 10 -2.110 -4.890 -8.216 68 1HB LEU 10 2HB LEU 10 -2.297 -2.399 -8.589 69 2HB LEU 10 1HB LEU 10 -1.576 -2.179 -6.994 70 HG LEU 10 HG LEU 10 0.405 -3.448 -7.685 71 1HD1 LEU 10 1HD1 LEU 10 -1.373 -4.260 -9.816 72 2HD1 LEU 10 2HD1 LEU 10 0.190 -4.938 -9.362 73 3HD1 LEU 10 3HD1 LEU 10 0.110 -3.584 -10.489 74 1HD2 LEU 10 1HD2 LEU 10 0.279 -0.994 -8.140 75 2HD2 LEU 10 2HD2 LEU 10 -0.312 -1.357 -9.760 76 3HD2 LEU 10 3HD2 LEU 10 1.313 -1.847 -9.284 77 H ILE 11 H ILE 11 0.092 -5.246 -7.367 78 HA ILE 11 HA ILE 11 0.234 -5.321 -4.426 79 HB ILE 11 HB ILE 11 -0.462 -7.513 -4.835 80 1HG1 ILE 11 2HG1 ILE 11 1.941 -7.247 -3.789 81 2HG1 ILE 11 1HG1 ILE 11 1.347 -8.846 -4.208 82 1HG2 ILE 11 1HG2 ILE 11 -0.520 -7.427 -7.251 83 2HG2 ILE 11 2HG2 ILE 11 0.401 -8.853 -6.772 84 3HG2 ILE 11 3HG2 ILE 11 1.242 -7.404 -7.329 85 1HD1 ILE 11 1HD1 ILE 11 2.682 -7.481 -6.442 86 2HD1 ILE 11 2HD1 ILE 11 2.901 -9.120 -5.834 87 3HD1 ILE 11 3HD1 ILE 11 3.740 -7.775 -5.063 88 H VAL 12 H VAL 12 2.312 -5.020 -3.647 89 HA VAL 12 HA VAL 12 4.387 -4.601 -5.699 90 HB VAL 12 HB VAL 12 5.139 -3.748 -3.023 91 1HG1 VAL 12 1HG1 VAL 12 6.053 -1.991 -4.214 92 2HG1 VAL 12 2HG1 VAL 12 4.673 -1.873 -5.298 93 3HG1 VAL 12 3HG1 VAL 12 5.867 -3.147 -5.529 94 1HG2 VAL 12 1HG2 VAL 12 2.988 -3.104 -2.450 95 2HG2 VAL 12 2HG2 VAL 12 2.490 -2.889 -4.123 96 3HG2 VAL 12 3HG2 VAL 12 3.503 -1.679 -3.340 97 H LYS 13 H LYS 13 6.155 -5.897 -5.618 98 HA LYS 13 HA LYS 13 5.839 -8.291 -4.060 99 1HB LYS 13 2HB LYS 13 6.276 -8.624 -6.332 100 2HB LYS 13 1HB LYS 13 7.552 -7.425 -6.360 101 1HG LYS 13 2HG LYS 13 8.228 -9.923 -6.419 102 2HG LYS 13 1HG LYS 13 9.092 -8.857 -5.312 103 1HD LYS 13 2HD LYS 13 8.310 -9.926 -3.507 104 2HD LYS 13 1HD LYS 13 6.667 -9.999 -4.137 105 1HE LYS 13 2HE LYS 13 8.394 -11.736 -5.671 106 2HE LYS 13 1HE LYS 13 8.518 -12.126 -3.955 107 1HZ LYS 13 1HZ LYS 13 6.687 -13.279 -4.532 108 2HZ LYS 13 2HZ LYS 13 6.218 -12.264 -5.676 109 3HZ LYS 13 3HZ LYS 13 5.967 -11.905 -4.138 110 H LYS 14 H LYS 14 8.242 -5.720 -3.883 111 HA LYS 14 HA LYS 14 9.114 -7.233 -1.541 112 1HB LYS 14 2HB LYS 14 10.776 -6.859 -3.830 113 2HB LYS 14 1HB LYS 14 11.416 -5.864 -2.521 114 1HG LYS 14 2HG LYS 14 12.286 -8.251 -2.578 115 2HG LYS 14 1HG LYS 14 11.580 -7.744 -1.043 116 1HD LYS 14 2HD LYS 14 9.611 -8.978 -1.394 117 2HD LYS 14 1HD LYS 14 9.886 -9.084 -3.134 118 1HE LYS 14 2HE LYS 14 10.393 -11.247 -2.175 119 2HE LYS 14 1HE LYS 14 11.915 -10.497 -2.658 120 1HZ LYS 14 1HZ LYS 14 11.254 -11.376 -0.175 121 2HZ LYS 14 2HZ LYS 14 11.237 -9.780 -0.053 122 3HZ LYS 14 3HZ LYS 14 12.553 -10.528 -0.572 123 H VAL 15 H VAL 15 8.029 -5.742 -0.244 124 HA VAL 15 HA VAL 15 8.897 -2.972 -0.506 125 HB VAL 15 HB VAL 15 6.656 -4.182 1.132 126 1HG1 VAL 15 1HG1 VAL 15 7.314 -1.880 1.811 127 2HG1 VAL 15 2HG1 VAL 15 5.718 -1.928 1.060 128 3HG1 VAL 15 3HG1 VAL 15 7.104 -1.360 0.138 129 1HG2 VAL 15 1HG2 VAL 15 7.045 -3.576 -1.709 130 2HG2 VAL 15 2HG2 VAL 15 5.568 -2.911 -1.007 131 3HG2 VAL 15 3HG2 VAL 15 5.878 -4.643 -0.933 132 H ARG 16 H ARG 16 9.193 -1.685 1.336 133 HA ARG 16 HA ARG 16 10.530 -3.048 3.598 134 1HB ARG 16 2HB ARG 16 12.153 -1.921 2.093 135 2HB ARG 16 1HB ARG 16 11.169 -0.482 2.099 136 1HG ARG 16 2HG ARG 16 12.538 0.186 3.762 137 2HG ARG 16 1HG ARG 16 11.496 -0.818 4.760 138 1HD ARG 16 2HD ARG 16 14.307 -1.170 4.035 139 2HD ARG 16 1HD ARG 16 13.390 -1.947 5.327 140 HE ARG 16 HE ARG 16 12.524 -3.319 3.175 141 1HH1 ARG 16 1HH2 ARG 16 15.644 -2.354 4.351 142 2HH1 ARG 16 2HH2 ARG 16 16.460 -3.710 3.653 143 1HH2 ARG 16 1HH1 ARG 16 13.598 -5.085 2.274 144 2HH2 ARG 16 2HH1 ARG 16 15.309 -5.250 2.484 145 H GLN 17 H GLN 17 9.422 -2.559 5.429 146 HA GLN 17 HA GLN 17 8.192 0.109 5.471 147 1HB GLN 17 2HB GLN 17 6.323 -0.914 6.839 148 2HB GLN 17 1HB GLN 17 6.355 -1.395 5.153 149 1HG GLN 17 2HG GLN 17 7.288 -3.509 5.652 150 2HG GLN 17 1HG GLN 17 7.615 -3.039 7.316 151 1HE2 GLN 17 1HE2 GLN 17 6.216 -4.977 7.870 152 2HE2 GLN 17 2HE2 GLN 17 4.530 -4.789 7.864 153 H LYS 18 H LYS 18 8.481 1.172 7.342 154 HA LYS 18 HA LYS 18 10.712 1.062 8.737 155 1HB LYS 18 2HB LYS 18 8.252 2.316 9.185 156 2HB LYS 18 1HB LYS 18 8.658 1.547 10.720 157 1HG LYS 18 2HG LYS 18 9.656 3.754 10.704 158 2HG LYS 18 1HG LYS 18 10.952 2.568 10.542 159 1HD LYS 18 2HD LYS 18 10.693 2.875 8.004 160 2HD LYS 18 1HD LYS 18 9.737 4.306 8.391 161 1HE LYS 18 2HE LYS 18 12.046 4.465 10.006 162 2HE LYS 18 1HE LYS 18 12.610 3.989 8.404 163 1HZ LYS 18 1HZ LYS 18 11.623 5.855 7.489 164 2HZ LYS 18 2HZ LYS 18 12.320 6.416 8.815 165 3HZ LYS 18 3HZ LYS 18 10.737 6.179 8.783 166 H LYS 19 H LYS 19 8.226 -1.376 9.210 167 HA LYS 19 HA LYS 19 9.591 -2.297 11.624 168 1HB LYS 19 2HB LYS 19 7.745 -3.773 11.926 169 2HB LYS 19 1HB LYS 19 7.036 -2.274 11.342 170 1HG LYS 19 2HG LYS 19 6.952 -3.228 9.029 171 2HG LYS 19 1HG LYS 19 7.627 -4.735 9.641 172 1HD LYS 19 2HD LYS 19 4.909 -3.561 10.098 173 2HD LYS 19 1HD LYS 19 5.355 -5.199 9.615 174 1HE LYS 19 2HE LYS 19 4.811 -5.570 11.839 175 2HE LYS 19 1HE LYS 19 6.531 -5.217 12.000 176 1HZ LYS 19 1HZ LYS 19 5.847 -3.641 13.363 177 2HZ LYS 19 2HZ LYS 19 4.319 -3.710 12.892 178 3HZ LYS 19 3HZ LYS 19 5.367 -2.816 12.077 179 H GLN 20 H GLN 20 8.691 -3.603 8.475 180 HA GLN 20 HA GLN 20 11.090 -5.235 8.364 181 1HB GLN 20 2HB GLN 20 8.464 -6.251 9.074 182 2HB GLN 20 1HB GLN 20 9.093 -7.014 7.612 183 1HG GLN 20 2HG GLN 20 11.263 -6.781 9.410 184 2HG GLN 20 1HG GLN 20 9.907 -7.432 10.334 185 1HE2 GLN 20 1HE2 GLN 20 12.501 -8.584 8.817 186 2HE2 GLN 20 2HE2 GLN 20 11.876 -9.990 8.100 187 H ASP 21 H ASP 21 11.127 -6.466 6.235 188 HA ASP 21 HA ASP 21 9.921 -4.724 4.164 189 1HB ASP 21 2HB ASP 21 11.908 -6.751 3.318 190 2HB ASP 21 1HB ASP 21 11.836 -5.037 2.888 191 H GLY 22 H GLY 22 8.487 -5.798 2.826 192 1HA GLY 22 2HA GLY 22 8.209 -8.653 2.859 193 2HA GLY 22 1HA GLY 22 6.950 -7.825 3.766 194 H ALA 23 H ALA 23 6.260 -9.209 1.359 195 HA ALA 23 HA ALA 23 6.163 -7.222 -0.741 196 1HB ALA 23 1HB ALA 23 5.615 -9.004 -2.027 197 2HB ALA 23 2HB ALA 23 4.304 -9.471 -0.943 198 3HB ALA 23 3HB ALA 23 5.953 -10.000 -0.611 199 H LEU 24 H LEU 24 4.535 -5.973 -1.152 200 HA LEU 24 HA LEU 24 2.370 -5.827 0.854 201 1HB LEU 24 2HB LEU 24 4.102 -3.907 -0.429 202 2HB LEU 24 1HB LEU 24 2.435 -3.510 -0.807 203 HG LEU 24 HG LEU 24 3.766 -3.694 1.869 204 1HD1 LEU 24 1HD1 LEU 24 2.535 -1.673 0.086 205 2HD1 LEU 24 2HD1 LEU 24 3.827 -1.484 1.264 206 3HD1 LEU 24 3HD1 LEU 24 2.144 -1.494 1.792 207 1HD2 LEU 24 1HD2 LEU 24 1.316 -3.201 2.665 208 2HD2 LEU 24 2HD2 LEU 24 1.801 -4.873 2.378 209 3HD2 LEU 24 3HD2 LEU 24 0.855 -4.009 1.166 210 H TYR 25 H TYR 25 0.261 -6.038 0.235 211 HA TYR 25 HA TYR 25 -0.277 -6.323 -2.661 212 1HB TYR 25 2HB TYR 25 -1.218 -7.797 -0.229 213 2HB TYR 25 1HB TYR 25 -2.362 -7.573 -1.550 214 HD1 TYR 25 HD1 TYR 25 0.780 -9.164 -0.501 215 HD2 TYR 25 HD2 TYR 25 -1.979 -8.587 -3.740 216 HE1 TYR 25 HE1 TYR 25 1.832 -11.044 -1.728 217 HE2 TYR 25 HE2 TYR 25 -0.928 -10.468 -4.970 218 HH TYR 25 HH TYR 25 1.712 -11.557 -4.757 219 H LEU 26 H LEU 26 -1.944 -4.934 -3.450 220 HA LEU 26 HA LEU 26 -3.297 -3.358 -1.365 221 1HB LEU 26 2HB LEU 26 -2.104 -1.713 -2.456 222 2HB LEU 26 1HB LEU 26 -1.941 -2.665 -3.926 223 HG LEU 26 HG LEU 26 -4.661 -1.654 -3.184 224 1HD1 LEU 26 1HD1 LEU 26 -4.140 0.452 -4.430 225 2HD1 LEU 26 2HD1 LEU 26 -2.439 -0.013 -4.443 226 3HD1 LEU 26 3HD1 LEU 26 -3.248 0.325 -2.914 227 1HD2 LEU 26 1HD2 LEU 26 -4.358 -1.311 -5.836 228 2HD2 LEU 26 2HD2 LEU 26 -4.809 -2.867 -5.137 229 3HD2 LEU 26 3HD2 LEU 26 -3.131 -2.550 -5.577 230 H MET 27 H MET 27 -5.577 -3.276 -1.588 231 HA MET 27 HA MET 27 -6.708 -4.572 -3.966 232 1HB MET 27 2HB MET 27 -6.737 -6.355 -2.363 233 2HB MET 27 1HB MET 27 -7.242 -5.269 -1.069 234 1HG MET 27 2HG MET 27 -9.426 -5.254 -1.742 235 2HG MET 27 1HG MET 27 -9.007 -5.354 -3.450 236 1HE MET 27 1HE MET 27 -11.430 -8.176 -2.455 237 2HE MET 27 2HE MET 27 -10.919 -7.584 -4.033 238 3HE MET 27 3HE MET 27 -11.243 -6.439 -2.734 239 H ALA 28 H ALA 28 -8.834 -3.773 -4.415 240 HA ALA 28 HA ALA 28 -9.369 -1.150 -4.171 241 1HB ALA 28 1HB ALA 28 -11.904 -2.180 -3.861 242 2HB ALA 28 2HB ALA 28 -11.025 -3.582 -4.483 243 3HB ALA 28 3HB ALA 28 -11.051 -2.071 -5.401 244 H GLU 29 H GLU 29 -10.774 -3.499 -1.909 245 HA GLU 29 HA GLU 29 -11.469 -1.359 -0.123 246 1HB GLU 29 2HB GLU 29 -12.880 -3.373 -0.544 247 2HB GLU 29 1HB GLU 29 -11.697 -4.325 0.350 248 1HG GLU 29 2HG GLU 29 -12.932 -3.808 2.176 249 2HG GLU 29 1HG GLU 29 -12.171 -2.222 2.072 250 H ARG 30 H ARG 30 -8.543 -3.305 -0.224 251 HA ARG 30 HA ARG 30 -7.823 -1.993 2.243 252 1HB ARG 30 2HB ARG 30 -7.809 -3.739 3.728 253 2HB ARG 30 1HB ARG 30 -9.240 -4.125 2.795 254 1HG ARG 30 2HG ARG 30 -7.075 -5.323 1.430 255 2HG ARG 30 1HG ARG 30 -6.823 -5.653 3.146 256 1HD ARG 30 2HD ARG 30 -8.225 -7.418 2.394 257 2HD ARG 30 1HD ARG 30 -9.313 -6.296 3.203 258 HE ARG 30 HE ARG 30 -9.206 -5.505 0.529 259 1HH1 ARG 30 1HH2 ARG 30 -9.997 -8.325 2.373 260 2HH1 ARG 30 2HH2 ARG 30 -11.194 -8.881 1.253 261 1HH2 ARG 30 1HH1 ARG 30 -10.785 -6.221 -0.926 262 2HH2 ARG 30 2HH1 ARG 30 -11.638 -7.694 -0.610 263 H ILE 31 H ILE 31 -5.689 -2.623 3.034 264 HA ILE 31 HA ILE 31 -3.909 -3.344 0.778 265 HB ILE 31 HB ILE 31 -3.709 -1.403 3.066 266 1HG1 ILE 31 2HG1 ILE 31 -4.244 -0.949 0.552 267 2HG1 ILE 31 1HG1 ILE 31 -3.099 0.105 1.380 268 1HG2 ILE 31 1HG2 ILE 31 -1.124 -1.496 2.103 269 2HG2 ILE 31 2HG2 ILE 31 -1.550 -3.206 2.171 270 3HG2 ILE 31 3HG2 ILE 31 -1.656 -2.212 3.623 271 1HD1 ILE 31 1HD1 ILE 31 -2.247 -2.325 -0.214 272 2HD1 ILE 31 2HD1 ILE 31 -1.223 -1.026 0.397 273 3HD1 ILE 31 3HD1 ILE 31 -2.361 -0.709 -0.911 274 H ALA 32 H ALA 32 -2.687 -5.204 1.066 275 HA ALA 32 HA ALA 32 -2.707 -6.381 3.789 276 1HB ALA 32 1HB ALA 32 -2.249 -8.399 1.860 277 2HB ALA 32 2HB ALA 32 -3.609 -7.440 1.276 278 3HB ALA 32 3HB ALA 32 -3.676 -8.184 2.874 279 H TRP 33 H TRP 33 -0.819 -7.399 4.504 280 HA TRP 33 HA TRP 33 1.547 -6.927 2.789 281 1HB TRP 33 2HB TRP 33 1.399 -5.339 4.688 282 2HB TRP 33 1HB TRP 33 1.372 -6.705 5.790 283 HD1 TRP 33 HD1 TRP 33 3.563 -5.966 2.711 284 HE1 TRP 33 HE1 TRP 33 6.006 -6.167 3.480 285 HE3 TRP 33 HE3 TRP 33 2.983 -7.177 7.634 286 HZ2 TRP 33 HZ2 TRP 33 7.525 -6.747 5.688 287 HZ3 TRP 33 HZ3 TRP 33 4.970 -7.625 9.016 288 HH2 TRP 33 HH2 TRP 33 7.252 -7.428 8.053 289 H ALA 34 H ALA 34 2.898 -8.683 2.633 290 HA ALA 34 HA ALA 34 2.654 -10.851 4.542 291 1HB ALA 34 1HB ALA 34 0.915 -11.532 3.124 292 2HB ALA 34 2HB ALA 34 2.306 -12.491 2.621 293 3HB ALA 34 3HB ALA 34 1.812 -11.088 1.671 294 HA PRO 35 HA PRO 35 6.691 -11.545 2.861 295 1HB PRO 35 2HB PRO 35 7.129 -13.930 4.381 296 2HB PRO 35 1HB PRO 35 7.598 -12.280 4.814 297 1HG PRO 35 2HG PRO 35 5.502 -13.891 5.974 298 2HG PRO 35 1HG PRO 35 6.010 -12.262 6.437 299 1HD PRO 35 2HD PRO 35 3.612 -13.026 5.047 300 2HD PRO 35 1HD PRO 35 4.138 -11.394 5.498 301 H GLU 36 H GLU 36 7.944 -14.148 2.592 302 HA GLU 36 HA GLU 36 6.141 -15.419 0.616 303 1HB GLU 36 2HB GLU 36 8.127 -15.805 -0.805 304 2HB GLU 36 1HB GLU 36 7.841 -14.083 -0.547 305 1HG GLU 36 2HG GLU 36 9.466 -14.886 1.601 306 2HG GLU 36 1HG GLU 36 10.152 -15.676 0.180 307 H GLY 37 H GLY 37 5.659 -17.003 2.317 308 1HA GLY 37 2HA GLY 37 7.540 -19.202 2.265 309 2HA GLY 37 1HA GLY 37 7.334 -18.483 3.864 310 H LYS 38 H LYS 38 6.183 -20.190 4.826 311 HA LYS 38 HA LYS 38 3.779 -21.188 3.480 312 1HB LYS 38 2HB LYS 38 3.625 -22.564 5.644 313 2HB LYS 38 1HB LYS 38 5.012 -22.895 4.604 314 1HG LYS 38 2HG LYS 38 6.510 -21.984 6.079 315 2HG LYS 38 1HG LYS 38 5.373 -20.754 6.633 316 1HD LYS 38 2HD LYS 38 5.769 -22.336 8.444 317 2HD LYS 38 1HD LYS 38 4.116 -22.533 7.860 318 1HE LYS 38 2HE LYS 38 5.213 -24.725 8.167 319 2HE LYS 38 1HE LYS 38 4.827 -24.440 6.470 320 1HZ LYS 38 1HZ LYS 38 7.340 -23.430 7.039 321 2HZ LYS 38 2HZ LYS 38 6.953 -24.599 6.017 322 3HZ LYS 38 3HZ LYS 38 7.289 -24.949 7.542 323 H ASP 39 H ASP 39 3.727 -18.463 4.052 324 HA ASP 39 HA ASP 39 1.321 -18.237 5.535 325 1HB ASP 39 2HB ASP 39 3.905 -17.573 6.846 326 2HB ASP 39 1HB ASP 39 2.687 -16.299 6.910 327 H ARG 40 H ARG 40 0.268 -16.379 4.379 328 HA ARG 40 HA ARG 40 2.242 -14.773 2.920 329 1HB ARG 40 2HB ARG 40 0.007 -14.457 1.441 330 2HB ARG 40 1HB ARG 40 1.196 -15.718 1.125 331 1HG ARG 40 2HG ARG 40 -0.146 -17.205 2.714 332 2HG ARG 40 1HG ARG 40 -1.411 -15.979 2.638 333 1HD ARG 40 2HD ARG 40 -2.005 -17.501 0.934 334 2HD ARG 40 1HD ARG 40 -1.187 -16.201 0.067 335 HE ARG 40 HE ARG 40 0.825 -17.952 0.658 336 1HH1 ARG 40 1HH2 ARG 40 -2.292 -18.138 -0.824 337 2HH1 ARG 40 2HH2 ARG 40 -1.851 -19.435 -1.882 338 1HH2 ARG 40 1HH1 ARG 40 1.406 -19.642 -0.717 339 2HH2 ARG 40 2HH1 ARG 40 0.239 -20.286 -1.823 340 H PHE 41 H PHE 41 -1.077 -14.023 2.822 341 HA PHE 41 HA PHE 41 -0.911 -11.412 3.473 342 1HB PHE 41 2HB PHE 41 -3.104 -13.401 4.013 343 2HB PHE 41 1HB PHE 41 -3.296 -11.677 4.364 344 HD1 PHE 41 HD1 PHE 41 -4.113 -13.946 1.964 345 HD2 PHE 41 HD2 PHE 41 -1.950 -10.255 2.363 346 HE1 PHE 41 HE1 PHE 41 -4.436 -13.501 -0.454 347 HE2 PHE 41 HE2 PHE 41 -2.280 -9.804 -0.061 348 HZ PHE 41 HZ PHE 41 -3.517 -11.433 -1.464 349 H THR 42 H THR 42 0.537 -10.914 5.056 350 HA THR 42 HA THR 42 0.180 -11.982 7.741 351 HB THR 42 HB THR 42 2.402 -11.223 6.341 352 HG1 THR 42 HG1 THR 42 3.065 -12.075 8.118 353 1HG2 THR 42 1HG2 THR 42 1.340 -8.763 6.809 354 2HG2 THR 42 2HG2 THR 42 3.056 -9.093 6.616 355 3HG2 THR 42 3HG2 THR 42 2.362 -8.963 8.232 356 H ILE 43 H ILE 43 -0.565 -9.213 5.811 357 HA ILE 43 HA ILE 43 -1.999 -8.063 8.135 358 HB ILE 43 HB ILE 43 0.358 -7.023 7.069 359 1HG1 ILE 43 2HG1 ILE 43 -1.797 -5.949 8.868 360 2HG1 ILE 43 1HG1 ILE 43 -0.224 -6.619 9.308 361 1HG2 ILE 43 1HG2 ILE 43 -1.640 -4.872 6.546 362 2HG2 ILE 43 2HG2 ILE 43 -1.464 -6.072 5.279 363 3HG2 ILE 43 3HG2 ILE 43 -0.071 -5.141 5.800 364 1HD1 ILE 43 1HD1 ILE 43 0.323 -4.483 7.548 365 2HD1 ILE 43 2HD1 ILE 43 0.603 -4.522 9.293 366 3HD1 ILE 43 3HD1 ILE 43 -0.916 -3.894 8.658 367 H SER 44 H SER 44 -3.638 -6.509 7.546 368 HA SER 44 HA SER 44 -4.439 -6.156 4.849 369 1HB SER 44 2HB SER 44 -6.615 -7.429 5.087 370 2HB SER 44 1HB SER 44 -5.185 -8.448 4.954 371 HG SER 44 HG SER 44 -6.498 -9.130 6.670 372 H HIS 45 H HIS 45 -4.836 -4.004 5.294 373 HA HIS 45 HA HIS 45 -6.675 -3.454 7.542 374 1HB HIS 45 2HB HIS 45 -5.577 -1.066 6.441 375 2HB HIS 45 1HB HIS 45 -5.385 -1.691 8.068 376 HD1 HIS 45 HD1 HIS 45 -2.990 -2.015 8.653 377 HD2 HIS 45 HD2 HIS 45 -3.653 -2.518 4.581 378 HE1 HIS 45 HE1 HIS 45 -0.716 -2.391 7.598 379 H MET 46 H MET 46 -8.670 -3.028 6.944 380 HA MET 46 HA MET 46 -9.432 -2.708 4.204 381 1HB MET 46 2HB MET 46 -10.756 -3.123 6.716 382 2HB MET 46 1HB MET 46 -11.534 -1.794 5.862 383 1HG MET 46 2HG MET 46 -11.633 -3.241 3.815 384 2HG MET 46 1HG MET 46 -11.010 -4.577 4.783 385 1HE MET 46 1HE MET 46 -13.143 -6.263 6.220 386 2HE MET 46 2HE MET 46 -12.298 -6.090 4.684 387 3HE MET 46 3HE MET 46 -14.058 -6.164 4.710 388 H TYR 47 H TYR 47 -9.080 -0.922 3.100 389 HA TYR 47 HA TYR 47 -8.242 1.518 3.897 390 1HB TYR 47 2HB TYR 47 -9.985 0.672 1.606 391 2HB TYR 47 1HB TYR 47 -9.659 2.377 1.862 392 HD1 TYR 47 HD1 TYR 47 -6.735 1.266 3.168 393 HD2 TYR 47 HD2 TYR 47 -8.761 1.115 -0.630 394 HE1 TYR 47 HE1 TYR 47 -4.580 1.054 2.008 395 HE2 TYR 47 HE2 TYR 47 -6.606 0.901 -1.761 396 HH TYR 47 HH TYR 47 -4.416 0.555 -1.498 397 H ALA 48 H ALA 48 -11.716 0.578 3.890 398 HA ALA 48 HA ALA 48 -12.583 3.157 4.870 399 1HB ALA 48 1HB ALA 48 -13.876 0.420 4.805 400 2HB ALA 48 2HB ALA 48 -14.236 1.814 3.782 401 3HB ALA 48 3HB ALA 48 -14.678 1.834 5.492 402 H ASP 49 H ASP 49 -11.648 0.128 6.193 403 HA ASP 49 HA ASP 49 -12.146 0.558 8.965 404 1HB ASP 49 2HB ASP 49 -10.250 -1.287 7.497 405 2HB ASP 49 1HB ASP 49 -10.471 -1.311 9.246 406 H ILE 50 H ILE 50 -10.167 2.184 6.980 407 HA ILE 50 HA ILE 50 -8.439 2.980 9.208 408 HB ILE 50 HB ILE 50 -6.497 3.089 7.563 409 1HG1 ILE 50 2HG1 ILE 50 -8.613 1.819 5.931 410 2HG1 ILE 50 1HG1 ILE 50 -7.212 2.746 5.415 411 1HG2 ILE 50 1HG2 ILE 50 -7.342 0.250 7.976 412 2HG2 ILE 50 2HG2 ILE 50 -7.134 1.287 9.387 413 3HG2 ILE 50 3HG2 ILE 50 -5.781 1.010 8.289 414 1HD1 ILE 50 1HD1 ILE 50 -5.767 0.808 5.753 415 2HD1 ILE 50 2HD1 ILE 50 -7.109 0.354 4.705 416 3HD1 ILE 50 3HD1 ILE 50 -7.122 -0.115 6.401 417 H LYS 51 H LYS 51 -8.102 5.333 9.178 418 HA LYS 51 HA LYS 51 -8.602 6.548 6.574 419 1HB LYS 51 2HB LYS 51 -10.768 6.372 8.097 420 2HB LYS 51 1HB LYS 51 -10.078 7.851 8.778 421 1HG LYS 51 2HG LYS 51 -10.395 7.364 5.812 422 2HG LYS 51 1HG LYS 51 -11.557 8.281 6.779 423 1HD LYS 51 2HD LYS 51 -8.616 8.931 6.351 424 2HD LYS 51 1HD LYS 51 -9.995 9.826 5.710 425 1HE LYS 51 2HE LYS 51 -10.454 9.647 8.483 426 2HE LYS 51 1HE LYS 51 -8.745 10.049 8.310 427 1HZ LYS 51 1HZ LYS 51 -9.578 11.751 6.687 428 2HZ LYS 51 2HZ LYS 51 -9.849 12.054 8.235 429 3HZ LYS 51 3HZ LYS 51 -11.037 11.520 7.306 430 H CYS 52 H CYS 52 -6.814 7.485 6.364 431 HA CYS 52 HA CYS 52 -6.249 9.973 7.326 432 1HB CYS 52 2HB CYS 52 -5.749 8.584 9.466 433 2HB CYS 52 1HB CYS 52 -4.296 8.091 8.603 434 HG CYS 52 HG CYS 52 -4.764 10.827 9.836 435 H GLN 53 H GLN 53 -4.854 10.748 5.749 436 HA GLN 53 HA GLN 53 -3.086 8.723 4.534 437 1HB GLN 53 2HB GLN 53 -5.092 10.430 3.051 438 2HB GLN 53 1HB GLN 53 -3.838 9.462 2.275 439 1HG GLN 53 2HG GLN 53 -5.670 8.012 2.243 440 2HG GLN 53 1HG GLN 53 -4.823 7.505 3.704 441 1HE2 GLN 53 1HE2 GLN 53 -7.358 6.798 3.921 442 2HE2 GLN 53 2HE2 GLN 53 -8.293 7.892 4.820 443 H LYS 54 H LYS 54 -1.159 9.450 4.312 444 HA LYS 54 HA LYS 54 -0.689 12.325 3.830 445 1HB LYS 54 2HB LYS 54 0.299 12.177 5.907 446 2HB LYS 54 1HB LYS 54 0.438 10.423 5.821 447 1HG LYS 54 2HG LYS 54 2.509 10.497 4.830 448 2HG LYS 54 1HG LYS 54 2.166 12.001 3.973 449 1HD LYS 54 2HD LYS 54 2.576 11.836 6.970 450 2HD LYS 54 1HD LYS 54 3.861 12.236 5.830 451 1HE LYS 54 2HE LYS 54 3.134 14.361 5.649 452 2HE LYS 54 1HE LYS 54 1.489 13.825 5.310 453 1HZ LYS 54 1HZ LYS 54 2.020 13.379 7.969 454 2HZ LYS 54 2HZ LYS 54 0.972 14.413 7.344 455 3HZ LYS 54 3HZ LYS 54 2.469 14.883 7.657 456 H ILE 55 H ILE 55 0.106 12.497 1.754 457 HA ILE 55 HA ILE 55 1.513 10.124 0.684 458 HB ILE 55 HB ILE 55 0.415 12.421 -0.939 459 1HG1 ILE 55 2HG1 ILE 55 -1.425 11.537 0.440 460 2HG1 ILE 55 1HG1 ILE 55 -1.633 11.060 -1.245 461 1HG2 ILE 55 1HG2 ILE 55 1.139 9.531 -1.484 462 2HG2 ILE 55 2HG2 ILE 55 1.900 10.973 -2.156 463 3HG2 ILE 55 3HG2 ILE 55 0.259 10.537 -2.635 464 1HD1 ILE 55 1HD1 ILE 55 -1.204 9.388 1.115 465 2HD1 ILE 55 2HD1 ILE 55 -0.073 9.019 -0.187 466 3HD1 ILE 55 3HD1 ILE 55 -1.811 8.941 -0.479 467 H SER 56 H SER 56 3.625 10.470 1.146 468 HA SER 56 HA SER 56 4.739 13.094 0.385 469 1HB SER 56 2HB SER 56 5.016 11.486 2.764 470 2HB SER 56 1HB SER 56 6.587 11.783 2.027 471 HG SER 56 HG SER 56 6.346 13.624 3.055 472 HA PRO 57 HA PRO 57 7.467 10.597 -2.000 473 1HB PRO 57 2HB PRO 57 6.219 8.569 -3.480 474 2HB PRO 57 1HB PRO 57 7.122 8.418 -1.971 475 1HG PRO 57 2HG PRO 57 4.249 8.258 -2.394 476 2HG PRO 57 1HG PRO 57 5.187 7.763 -1.002 477 1HD PRO 57 2HD PRO 57 3.534 10.042 -1.175 478 2HD PRO 57 1HD PRO 57 4.701 9.654 0.102 479 H GLU 58 H GLU 58 5.687 12.744 -3.146 480 HA GLU 58 HA GLU 58 5.227 12.050 -5.888 481 1HB GLU 58 2HB GLU 58 4.661 14.331 -6.209 482 2HB GLU 58 1HB GLU 58 4.166 13.974 -4.559 483 1HG GLU 58 2HG GLU 58 5.291 16.022 -4.350 484 2HG GLU 58 1HG GLU 58 6.511 14.844 -3.882 485 H GLY 59 H GLY 59 7.825 13.669 -4.138 486 1HA GLY 59 2HA GLY 59 9.697 12.946 -6.261 487 2HA GLY 59 1HA GLY 59 9.618 14.658 -5.798 488 H LYS 60 H LYS 60 9.485 11.552 -4.034 489 HA LYS 60 HA LYS 60 11.311 12.807 -2.084 490 1HB LYS 60 2HB LYS 60 9.217 10.666 -1.635 491 2HB LYS 60 1HB LYS 60 10.155 11.522 -0.392 492 1HG LYS 60 2HG LYS 60 9.040 13.498 -2.117 493 2HG LYS 60 1HG LYS 60 7.741 12.401 -1.662 494 1HD LYS 60 2HD LYS 60 7.645 13.712 0.209 495 2HD LYS 60 1HD LYS 60 8.995 12.707 0.738 496 1HE LYS 60 2HE LYS 60 10.582 14.349 -0.212 497 2HE LYS 60 1HE LYS 60 9.227 15.360 -0.714 498 1HZ LYS 60 1HZ LYS 60 8.680 15.042 1.809 499 2HZ LYS 60 2HZ LYS 60 9.610 16.237 1.291 500 3HZ LYS 60 3HZ LYS 60 10.273 14.920 1.912 501 H ALA 61 H ALA 61 11.906 10.771 -0.527 502 HA ALA 61 HA ALA 61 14.203 9.670 -1.395 503 1HB ALA 61 1HB ALA 61 14.085 8.154 0.377 504 2HB ALA 61 2HB ALA 61 12.348 7.918 0.189 505 3HB ALA 61 3HB ALA 61 12.963 9.415 0.889 506 H LYS 62 H LYS 62 11.318 7.516 -1.345 507 HA LYS 62 HA LYS 62 11.711 6.814 -4.097 508 1HB LYS 62 2HB LYS 62 12.167 4.304 -3.142 509 2HB LYS 62 1HB LYS 62 13.430 5.366 -3.749 510 1HG LYS 62 2HG LYS 62 12.619 5.732 -0.899 511 2HG LYS 62 1HG LYS 62 13.502 4.260 -1.274 512 1HD LYS 62 2HD LYS 62 14.763 6.464 -2.601 513 2HD LYS 62 1HD LYS 62 14.547 6.854 -0.893 514 1HE LYS 62 2HE LYS 62 15.400 4.299 -0.671 515 2HE LYS 62 1HE LYS 62 16.225 4.755 -2.161 516 1HZ LYS 62 1HZ LYS 62 16.628 5.729 0.490 517 2HZ LYS 62 2HZ LYS 62 16.695 6.841 -0.658 518 3HZ LYS 62 3HZ LYS 62 17.678 5.580 -0.709 519 H ILE 63 H ILE 63 9.226 7.523 -2.676 520 HA ILE 63 HA ILE 63 7.243 6.877 -2.645 521 HB ILE 63 HB ILE 63 6.544 5.558 -4.193 522 1HG1 ILE 63 2HG1 ILE 63 7.617 2.969 -3.240 523 2HG1 ILE 63 1HG1 ILE 63 6.579 3.830 -2.122 524 1HG2 ILE 63 1HG2 ILE 63 9.028 3.933 -4.520 525 2HG2 ILE 63 2HG2 ILE 63 9.083 5.660 -4.880 526 3HG2 ILE 63 3HG2 ILE 63 7.956 4.618 -5.737 527 1HD1 ILE 63 1HD1 ILE 63 5.464 3.959 -4.759 528 2HD1 ILE 63 2HD1 ILE 63 4.753 3.341 -3.269 529 3HD1 ILE 63 3HD1 ILE 63 5.735 2.285 -4.275 530 H GLN 64 H GLN 64 7.228 7.330 -0.660 531 HA GLN 64 HA GLN 64 7.045 5.022 1.216 532 1HB GLN 64 2HB GLN 64 7.904 6.388 3.003 533 2HB GLN 64 1HB GLN 64 9.006 6.607 1.641 534 1HG GLN 64 2HG GLN 64 7.871 8.689 1.026 535 2HG GLN 64 1HG GLN 64 6.716 8.464 2.340 536 1HE2 GLN 64 1HE2 GLN 64 10.237 7.826 2.492 537 2HE2 GLN 64 2HE2 GLN 64 10.558 9.001 3.675 538 H LEU 65 H LEU 65 5.012 4.921 2.267 539 HA LEU 65 HA LEU 65 3.364 7.360 2.048 540 1HB LEU 65 2HB LEU 65 1.419 6.090 1.381 541 2HB LEU 65 1HB LEU 65 2.733 5.727 0.280 542 HG LEU 65 HG LEU 65 1.535 3.691 0.856 543 1HD1 LEU 65 1HD1 LEU 65 4.229 3.986 0.890 544 2HD1 LEU 65 2HD1 LEU 65 3.400 2.432 0.980 545 3HD1 LEU 65 3HD1 LEU 65 3.949 3.223 2.455 546 1HD2 LEU 65 1HD2 LEU 65 1.017 4.716 3.266 547 2HD2 LEU 65 2HD2 LEU 65 2.429 3.748 3.694 548 3HD2 LEU 65 3HD2 LEU 65 1.017 2.976 2.974 549 H GLN 66 H GLN 66 1.469 7.360 3.521 550 HA GLN 66 HA GLN 66 1.751 5.650 5.879 551 1HB GLN 66 2HB GLN 66 2.699 8.383 5.742 552 2HB GLN 66 1HB GLN 66 1.406 8.230 6.932 553 1HG GLN 66 2HG GLN 66 2.568 6.516 8.121 554 2HG GLN 66 1HG GLN 66 3.732 6.302 6.813 555 1HE2 GLN 66 1HE2 GLN 66 4.842 8.621 6.246 556 2HE2 GLN 66 2HE2 GLN 66 5.417 9.455 7.608 557 H LEU 67 H LEU 67 -0.230 5.064 6.488 558 HA LEU 67 HA LEU 67 -2.529 6.878 5.994 559 1HB LEU 67 2HB LEU 67 -2.560 5.118 4.291 560 2HB LEU 67 1HB LEU 67 -2.303 3.881 5.518 561 HG LEU 67 HG LEU 67 -4.625 5.607 6.044 562 1HD1 LEU 67 1HD1 LEU 67 -5.741 3.881 4.217 563 2HD1 LEU 67 2HD1 LEU 67 -4.243 4.349 3.413 564 3HD1 LEU 67 3HD1 LEU 67 -5.399 5.584 3.911 565 1HD2 LEU 67 1HD2 LEU 67 -5.443 2.987 5.940 566 2HD2 LEU 67 2HD2 LEU 67 -4.764 3.762 7.372 567 3HD2 LEU 67 3HD2 LEU 67 -3.727 2.811 6.308 568 H VAL 68 H VAL 68 -4.233 6.537 7.680 569 HA VAL 68 HA VAL 68 -3.143 4.986 9.916 570 HB VAL 68 HB VAL 68 -4.651 7.516 10.443 571 1HG1 VAL 68 1HG1 VAL 68 -4.448 6.072 12.343 572 2HG1 VAL 68 2HG1 VAL 68 -3.206 7.306 12.534 573 3HG1 VAL 68 3HG1 VAL 68 -2.767 5.703 11.948 574 1HG2 VAL 68 1HG2 VAL 68 -1.697 7.406 10.664 575 2HG2 VAL 68 2HG2 VAL 68 -2.735 8.787 10.306 576 3HG2 VAL 68 3HG2 VAL 68 -2.359 7.612 9.044 577 H LEU 69 H LEU 69 -4.548 4.318 11.428 578 HA LEU 69 HA LEU 69 -6.975 3.250 10.282 579 1HB LEU 69 2HB LEU 69 -5.627 2.899 12.972 580 2HB LEU 69 1HB LEU 69 -6.870 1.847 12.331 581 HG LEU 69 HG LEU 69 -4.074 1.607 12.008 582 1HD1 LEU 69 1HD1 LEU 69 -5.034 -0.085 10.119 583 2HD1 LEU 69 2HD1 LEU 69 -6.469 0.185 11.121 584 3HD1 LEU 69 3HD1 LEU 69 -4.987 -0.435 11.849 585 1HD2 LEU 69 1HD2 LEU 69 -4.018 1.451 9.429 586 2HD2 LEU 69 2HD2 LEU 69 -3.790 3.024 10.187 587 3HD2 LEU 69 3HD2 LEU 69 -5.352 2.599 9.489 588 H HIS 70 H HIS 70 -9.098 3.635 11.181 589 HA HIS 70 HA HIS 70 -9.723 6.159 12.150 590 1HB HIS 70 2HB HIS 70 -11.039 3.473 12.674 591 2HB HIS 70 1HB HIS 70 -11.734 4.997 13.227 592 HD1 HIS 70 HD1 HIS 70 -12.952 6.417 11.518 593 HD2 HIS 70 HD2 HIS 70 -10.859 3.267 9.763 594 HE1 HIS 70 HE1 HIS 70 -13.634 6.374 9.080 595 H ALA 71 H ALA 71 -8.492 3.334 13.669 596 HA ALA 71 HA ALA 71 -8.651 4.330 16.386 597 1HB ALA 71 1HB ALA 71 -6.842 2.104 15.453 598 2HB ALA 71 2HB ALA 71 -8.581 1.847 15.593 599 3HB ALA 71 3HB ALA 71 -7.638 2.295 17.015 600 H GLY 72 H GLY 72 -5.921 3.564 17.110 601 1HA GLY 72 2HA GLY 72 -4.542 5.920 16.025 602 2HA GLY 72 1HA GLY 72 -4.264 5.218 17.622 603 H ASP 73 H ASP 73 -4.458 3.904 14.436 604 HA ASP 73 HA ASP 73 -1.727 2.796 14.793 605 1HB ASP 73 2HB ASP 73 -4.243 1.435 13.861 606 2HB ASP 73 1HB ASP 73 -2.666 0.856 13.323 607 H THR 74 H THR 74 -0.385 3.243 13.153 608 HA THR 74 HA THR 74 -1.595 4.477 10.777 609 HB THR 74 HB THR 74 1.305 4.660 11.539 610 HG1 THR 74 HG1 THR 74 -0.851 6.242 12.480 611 1HG2 THR 74 1HG2 THR 74 0.735 7.010 10.472 612 2HG2 THR 74 2HG2 THR 74 -0.634 6.130 9.793 613 3HG2 THR 74 3HG2 THR 74 1.013 5.607 9.441 614 H THR 75 H THR 75 -0.360 4.018 8.706 615 HA THR 75 HA THR 75 0.878 1.360 8.803 616 HB THR 75 HB THR 75 -1.027 2.355 6.659 617 HG1 THR 75 HG1 THR 75 -1.778 1.722 8.948 618 1HG2 THR 75 1HG2 THR 75 0.583 0.741 5.837 619 2HG2 THR 75 2HG2 THR 75 -0.975 -0.067 6.010 620 3HG2 THR 75 3HG2 THR 75 0.287 -0.316 7.217 621 H ASN 76 H ASN 76 2.987 1.894 8.225 622 HA ASN 76 HA ASN 76 3.290 4.002 6.178 623 1HB ASN 76 2HB ASN 76 5.298 2.941 8.191 624 2HB ASN 76 1HB ASN 76 5.575 4.254 7.046 625 1HD2 ASN 76 1HD2 ASN 76 5.909 5.802 8.823 626 2HD2 ASN 76 2HD2 ASN 76 4.600 6.363 9.746 627 H PHE 77 H PHE 77 4.356 3.390 4.261 628 HA PHE 77 HA PHE 77 5.588 0.740 4.321 629 1HB PHE 77 2HB PHE 77 2.999 1.245 3.243 630 2HB PHE 77 1HB PHE 77 4.099 0.853 1.922 631 HD1 PHE 77 HD1 PHE 77 5.963 -0.924 2.790 632 HD2 PHE 77 HD2 PHE 77 1.897 -0.691 4.116 633 HE1 PHE 77 HE1 PHE 77 6.057 -3.296 3.435 634 HE2 PHE 77 HE2 PHE 77 1.974 -3.074 4.759 635 HZ PHE 77 HZ PHE 77 4.084 -4.366 4.409 636 H HIS 78 H HIS 78 7.158 0.441 2.861 637 HA HIS 78 HA HIS 78 7.722 2.666 0.980 638 1HB HIS 78 2HB HIS 78 8.919 3.273 3.007 639 2HB HIS 78 1HB HIS 78 9.663 1.674 3.095 640 HD1 HIS 78 HD1 HIS 78 11.261 1.016 1.168 641 HD2 HIS 78 HD2 HIS 78 10.203 5.046 1.127 642 HE1 HIS 78 HE1 HIS 78 12.811 2.143 -0.412 643 H PHE 79 H PHE 79 9.311 2.192 -0.612 644 HA PHE 79 HA PHE 79 10.142 -0.630 -0.860 645 1HB PHE 79 2HB PHE 79 9.075 0.647 -3.298 646 2HB PHE 79 1HB PHE 79 9.032 -1.029 -2.800 647 HD1 PHE 79 HD1 PHE 79 7.630 2.262 -1.522 648 HD2 PHE 79 HD2 PHE 79 6.905 -1.869 -2.470 649 HE1 PHE 79 HE1 PHE 79 5.218 2.536 -0.956 650 HE2 PHE 79 HE2 PHE 79 4.531 -1.584 -1.857 651 HZ PHE 79 HZ PHE 79 3.693 0.602 -1.128 652 H SER 80 H SER 80 12.203 -0.767 -2.211 653 HA SER 80 HA SER 80 12.981 1.219 -3.953 654 1HB SER 80 2HB SER 80 13.322 2.693 -2.048 655 2HB SER 80 1HB SER 80 14.278 1.461 -1.228 656 HG SER 80 HG SER 80 15.907 1.830 -2.555 657 H ASN 81 H ASN 81 14.819 0.399 -5.067 658 HA ASN 81 HA ASN 81 16.364 -1.684 -3.730 659 1HB ASN 81 2HB ASN 81 14.498 -2.191 -6.021 660 2HB ASN 81 1HB ASN 81 15.980 -3.134 -5.874 661 1HD2 ASN 81 1HD2 ASN 81 13.077 -2.174 -3.976 662 2HD2 ASN 81 2HD2 ASN 81 13.069 -3.561 -3.003 663 H GLU 82 H GLU 82 18.033 -2.547 -5.499 664 HA GLU 82 HA GLU 82 19.717 -0.481 -6.184 665 1HB GLU 82 2HB GLU 82 20.441 -2.802 -6.317 666 2HB GLU 82 1HB GLU 82 19.293 -3.119 -7.618 667 1HG GLU 82 2HG GLU 82 21.481 -2.771 -8.606 668 2HG GLU 82 1HG GLU 82 20.470 -1.379 -8.996 669 H SER 83 H SER 83 16.999 -1.823 -8.029 670 HA SER 83 HA SER 83 16.947 0.654 -9.570 671 1HB SER 83 2HB SER 83 16.576 -1.540 -11.393 672 2HB SER 83 1HB SER 83 17.723 -0.207 -11.485 673 HG SER 83 HG SER 83 18.155 -2.773 -10.849 674 H THR 84 H THR 84 15.190 -1.131 -7.609 675 HA THR 84 HA THR 84 12.855 -1.183 -9.430 676 HB THR 84 HB THR 84 12.106 -3.074 -8.394 677 HG1 THR 84 HG1 THR 84 12.848 -3.257 -5.999 678 1HG2 THR 84 1HG2 THR 84 15.024 -3.001 -7.617 679 2HG2 THR 84 2HG2 THR 84 14.270 -3.873 -8.950 680 3HG2 THR 84 3HG2 THR 84 14.003 -4.400 -7.288 681 H ALA 85 H ALA 85 14.076 1.110 -7.822 682 HA ALA 85 HA ALA 85 11.807 1.646 -6.020 683 1HB ALA 85 1HB ALA 85 13.792 3.773 -6.226 684 2HB ALA 85 2HB ALA 85 14.548 2.238 -5.795 685 3HB ALA 85 3HB ALA 85 13.252 2.895 -4.795 686 H VAL 86 H VAL 86 10.643 1.666 -8.297 687 HA VAL 86 HA VAL 86 10.469 4.481 -9.021 688 HB VAL 86 HB VAL 86 10.952 4.181 -11.376 689 1HG1 VAL 86 1HG1 VAL 86 12.857 4.557 -9.809 690 2HG1 VAL 86 2HG1 VAL 86 13.329 3.653 -11.247 691 3HG1 VAL 86 3HG1 VAL 86 13.089 2.811 -9.717 692 1HG2 VAL 86 1HG2 VAL 86 10.080 1.702 -11.217 693 2HG2 VAL 86 2HG2 VAL 86 11.771 1.330 -10.882 694 3HG2 VAL 86 3HG2 VAL 86 11.323 2.110 -12.399 695 H LYS 87 H LYS 87 9.232 3.576 -11.674 696 HA LYS 87 HA LYS 87 6.618 3.922 -11.302 697 1HB LYS 87 2HB LYS 87 7.967 1.901 -13.100 698 2HB LYS 87 1HB LYS 87 6.238 2.243 -13.184 699 1HG LYS 87 2HG LYS 87 8.159 4.542 -13.237 700 2HG LYS 87 1HG LYS 87 7.946 3.583 -14.702 701 1HD LYS 87 2HD LYS 87 5.719 4.917 -13.132 702 2HD LYS 87 1HD LYS 87 6.378 5.489 -14.665 703 1HE LYS 87 2HE LYS 87 4.848 4.192 -15.694 704 2HE LYS 87 1HE LYS 87 5.766 2.797 -15.127 705 1HZ LYS 87 1HZ LYS 87 3.281 3.752 -14.232 706 2HZ LYS 87 2HZ LYS 87 4.299 3.562 -13.012 707 3HZ LYS 87 3HZ LYS 87 3.966 2.328 -13.975 708 H GLU 88 H GLU 88 8.217 0.774 -10.828 709 HA GLU 88 HA GLU 88 6.065 -0.828 -10.223 710 1HB GLU 88 2HB GLU 88 7.744 -1.577 -8.235 711 2HB GLU 88 1HB GLU 88 8.015 -2.026 -9.908 712 1HG GLU 88 2HG GLU 88 9.100 0.616 -9.230 713 2HG GLU 88 1HG GLU 88 9.822 -0.708 -8.329 714 H ARG 89 H ARG 89 7.936 0.677 -7.672 715 HA ARG 89 HA ARG 89 5.881 0.569 -5.743 716 1HB ARG 89 2HB ARG 89 8.019 2.651 -5.548 717 2HB ARG 89 1HB ARG 89 7.414 1.548 -4.316 718 1HG ARG 89 2HG ARG 89 9.274 0.861 -6.605 719 2HG ARG 89 1HG ARG 89 9.658 0.847 -4.894 720 1HD ARG 89 2HD ARG 89 8.224 -1.016 -4.478 721 2HD ARG 89 1HD ARG 89 7.438 -0.851 -6.041 722 HE ARG 89 HE ARG 89 10.113 -1.280 -6.605 723 1HH1 ARG 89 1HH2 ARG 89 7.625 -2.830 -4.794 724 2HH1 ARG 89 2HH2 ARG 89 8.202 -4.423 -5.124 725 1HH2 ARG 89 1HH1 ARG 89 10.886 -3.359 -7.015 726 2HH2 ARG 89 2HH1 ARG 89 10.055 -4.725 -6.359 727 H ASP 90 H ASP 90 7.226 3.304 -7.559 728 HA ASP 90 HA ASP 90 5.454 5.271 -6.713 729 1HB ASP 90 2HB ASP 90 7.485 5.145 -8.540 730 2HB ASP 90 1HB ASP 90 6.085 5.359 -9.591 731 H ALA 91 H ALA 91 4.658 2.445 -8.469 732 HA ALA 91 HA ALA 91 2.286 3.684 -9.655 733 1HB ALA 91 1HB ALA 91 3.404 0.877 -9.885 734 2HB ALA 91 2HB ALA 91 3.586 2.161 -11.081 735 3HB ALA 91 3HB ALA 91 1.991 1.486 -10.746 736 H VAL 92 H VAL 92 3.291 1.383 -7.132 737 HA VAL 92 HA VAL 92 0.545 0.587 -6.578 738 HB VAL 92 HB VAL 92 1.693 0.029 -4.262 739 1HG1 VAL 92 1HG1 VAL 92 1.271 -1.960 -5.239 740 2HG1 VAL 92 2HG1 VAL 92 2.919 -1.901 -5.860 741 3HG1 VAL 92 3HG1 VAL 92 1.586 -1.312 -6.847 742 1HG2 VAL 92 1HG2 VAL 92 3.749 1.364 -4.848 743 2HG2 VAL 92 2HG2 VAL 92 4.114 0.151 -6.076 744 3HG2 VAL 92 3HG2 VAL 92 4.081 -0.298 -4.374 745 H LYS 93 H LYS 93 2.869 2.983 -5.440 746 HA LYS 93 HA LYS 93 1.203 4.108 -3.413 747 1HB LYS 93 2HB LYS 93 3.520 4.705 -3.394 748 2HB LYS 93 1HB LYS 93 3.480 5.195 -5.088 749 1HG LYS 93 2HG LYS 93 1.540 6.810 -4.034 750 2HG LYS 93 1HG LYS 93 2.649 6.679 -2.670 751 1HD LYS 93 2HD LYS 93 3.218 8.584 -4.161 752 2HD LYS 93 1HD LYS 93 4.516 7.393 -4.070 753 1HE LYS 93 2HE LYS 93 4.104 6.587 -6.226 754 2HE LYS 93 1HE LYS 93 2.434 7.156 -6.226 755 1HZ LYS 93 1HZ LYS 93 4.729 8.504 -7.063 756 2HZ LYS 93 2HZ LYS 93 3.982 9.359 -5.935 757 3HZ LYS 93 3HZ LYS 93 3.195 8.922 -7.257 758 H ASP 94 H ASP 94 2.008 5.191 -6.735 759 HA ASP 94 HA ASP 94 0.129 7.144 -7.120 760 1HB ASP 94 2HB ASP 94 1.763 6.481 -8.831 761 2HB ASP 94 1HB ASP 94 0.894 4.966 -9.080 762 H LEU 95 H LEU 95 -0.459 3.723 -6.670 763 HA LEU 95 HA LEU 95 -3.205 3.985 -7.642 764 1HB LEU 95 2HB LEU 95 -1.473 1.738 -6.631 765 2HB LEU 95 1HB LEU 95 -3.225 1.544 -6.750 766 HG LEU 95 HG LEU 95 -2.063 2.799 -9.123 767 1HD1 LEU 95 1HD1 LEU 95 -1.517 0.012 -9.428 768 2HD1 LEU 95 2HD1 LEU 95 -0.658 0.583 -8.005 769 3HD1 LEU 95 3HD1 LEU 95 -0.387 1.359 -9.561 770 1HD2 LEU 95 1HD2 LEU 95 -4.369 1.847 -8.798 771 2HD2 LEU 95 2HD2 LEU 95 -3.622 0.250 -8.743 772 3HD2 LEU 95 3HD2 LEU 95 -3.523 1.218 -10.213 773 H LEU 96 H LEU 96 -1.396 3.426 -4.643 774 HA LEU 96 HA LEU 96 -3.306 3.081 -2.746 775 1HB LEU 96 2HB LEU 96 -0.973 5.026 -2.716 776 2HB LEU 96 1HB LEU 96 -1.864 4.549 -1.284 777 HG LEU 96 HG LEU 96 0.039 2.952 -2.962 778 1HD1 LEU 96 1HD1 LEU 96 -0.382 3.689 -0.131 779 2HD1 LEU 96 2HD1 LEU 96 1.118 3.468 -1.036 780 3HD1 LEU 96 3HD1 LEU 96 0.242 2.064 -0.420 781 1HD2 LEU 96 1HD2 LEU 96 -0.951 0.900 -1.699 782 2HD2 LEU 96 2HD2 LEU 96 -1.781 1.464 -3.150 783 3HD2 LEU 96 3HD2 LEU 96 -2.407 1.885 -1.556 784 H GLN 97 H GLN 97 -2.231 6.304 -3.810 785 HA GLN 97 HA GLN 97 -4.411 7.662 -2.536 786 1HB GLN 97 2HB GLN 97 -2.788 8.734 -4.853 787 2HB GLN 97 1HB GLN 97 -3.628 9.650 -3.606 788 1HG GLN 97 2HG GLN 97 -1.647 9.686 -2.520 789 2HG GLN 97 1HG GLN 97 -1.988 7.999 -2.129 790 1HE2 GLN 97 1HE2 GLN 97 -1.741 7.288 -5.092 791 2HE2 GLN 97 2HE2 GLN 97 -0.070 7.206 -5.342 792 H GLN 98 H GLN 98 -4.498 5.630 -5.102 793 HA GLN 98 HA GLN 98 -6.440 7.137 -6.673 794 1HB GLN 98 2HB GLN 98 -4.580 5.482 -7.536 795 2HB GLN 98 1HB GLN 98 -5.760 4.243 -7.104 796 1HG GLN 98 2HG GLN 98 -7.166 6.297 -8.486 797 2HG GLN 98 1HG GLN 98 -5.721 5.927 -9.427 798 1HE2 GLN 98 1HE2 GLN 98 -5.859 4.104 -10.751 799 2HE2 GLN 98 2HE2 GLN 98 -7.016 2.873 -10.588 800 H LEU 99 H LEU 99 -6.222 4.334 -4.485 801 HA LEU 99 HA LEU 99 -9.101 3.853 -4.690 802 1HB LEU 99 2HB LEU 99 -7.728 2.660 -2.389 803 2HB LEU 99 1HB LEU 99 -8.668 1.874 -3.635 804 HG LEU 99 HG LEU 99 -6.440 2.563 -5.041 805 1HD1 LEU 99 1HD1 LEU 99 -4.803 1.539 -3.072 806 2HD1 LEU 99 2HD1 LEU 99 -5.871 2.617 -2.166 807 3HD1 LEU 99 3HD1 LEU 99 -4.924 3.237 -3.522 808 1HD2 LEU 99 1HD2 LEU 99 -6.591 0.329 -5.350 809 2HD2 LEU 99 2HD2 LEU 99 -7.643 0.199 -3.940 810 3HD2 LEU 99 3HD2 LEU 99 -5.894 0.074 -3.750 811 H LEU 100 H LEU 100 -6.882 5.649 -2.717 812 HA LEU 100 HA LEU 100 -8.101 5.835 -0.299 813 1HB LEU 100 2HB LEU 100 -6.719 7.913 -1.976 814 2HB LEU 100 1HB LEU 100 -7.394 8.341 -0.406 815 HG LEU 100 HG LEU 100 -5.275 6.261 -1.001 816 1HD1 LEU 100 1HD1 LEU 100 -5.374 8.899 0.452 817 2HD1 LEU 100 2HD1 LEU 100 -4.253 8.374 -0.804 818 3HD1 LEU 100 3HD1 LEU 100 -4.128 7.707 0.824 819 1HD2 LEU 100 1HD2 LEU 100 -7.085 6.631 1.351 820 2HD2 LEU 100 2HD2 LEU 100 -5.401 6.213 1.667 821 3HD2 LEU 100 3HD2 LEU 100 -6.404 5.147 0.683 822 HA PRO 101 HA PRO 101 -11.030 9.239 -2.316 823 1HB PRO 101 2HB PRO 101 -11.235 7.776 -4.889 824 2HB PRO 101 1HB PRO 101 -11.249 9.522 -4.597 825 1HG PRO 101 2HG PRO 101 -9.098 8.095 -5.609 826 2HG PRO 101 1HG PRO 101 -8.968 9.670 -4.810 827 1HD PRO 101 2HD PRO 101 -8.058 7.093 -3.856 828 2HD PRO 101 1HD PRO 101 -7.821 8.692 -3.129 829 H LYS 102 H LYS 102 -10.968 5.828 -3.258 830 HA LYS 102 HA LYS 102 -13.624 5.197 -3.431 831 1HB LYS 102 2HB LYS 102 -11.715 3.650 -3.802 832 2HB LYS 102 1HB LYS 102 -11.504 3.551 -2.052 833 1HG LYS 102 2HG LYS 102 -13.096 1.986 -1.913 834 2HG LYS 102 1HG LYS 102 -14.262 3.071 -2.674 835 1HD LYS 102 2HD LYS 102 -12.307 1.927 -4.551 836 2HD LYS 102 1HD LYS 102 -13.344 0.724 -3.785 837 1HE LYS 102 2HE LYS 102 -15.258 2.444 -4.370 838 2HE LYS 102 1HE LYS 102 -14.099 3.013 -5.571 839 1HZ LYS 102 1HZ LYS 102 -14.113 0.971 -6.588 840 2HZ LYS 102 2HZ LYS 102 -15.656 1.155 -6.208 841 3HZ LYS 102 3HZ LYS 102 -14.726 0.192 -5.331 842 H PHE 103 H PHE 103 -11.754 5.430 -0.383 843 HA PHE 103 HA PHE 103 -14.328 5.047 1.018 844 1HB PHE 103 2HB PHE 103 -12.477 4.661 2.982 845 2HB PHE 103 1HB PHE 103 -13.093 3.361 1.963 846 HD1 PHE 103 HD1 PHE 103 -11.890 2.892 -0.235 847 HD2 PHE 103 HD2 PHE 103 -10.177 5.238 2.926 848 HE1 PHE 103 HE1 PHE 103 -9.652 2.588 -1.234 849 HE2 PHE 103 HE2 PHE 103 -7.922 4.921 1.940 850 HZ PHE 103 HZ PHE 103 -7.659 3.597 -0.144 851 H LYS 104 H LYS 104 -12.352 7.481 0.070 852 HA LYS 104 HA LYS 104 -13.442 9.248 2.080 853 1HB LYS 104 2HB LYS 104 -11.108 10.146 2.633 854 2HB LYS 104 1HB LYS 104 -11.572 8.622 3.383 855 1HG LYS 104 2HG LYS 104 -10.183 7.359 1.990 856 2HG LYS 104 1HG LYS 104 -10.155 8.600 0.736 857 1HD LYS 104 2HD LYS 104 -8.973 9.142 3.451 858 2HD LYS 104 1HD LYS 104 -8.036 8.302 2.216 859 1HE LYS 104 2HE LYS 104 -7.459 10.423 1.592 860 2HE LYS 104 1HE LYS 104 -9.009 10.372 0.752 861 1HZ LYS 104 1HZ LYS 104 -9.970 11.615 2.370 862 2HZ LYS 104 2HZ LYS 104 -8.504 12.256 2.386 863 3HZ LYS 104 3HZ LYS 104 -8.930 11.204 3.515 864 H ARG 105 H ARG 105 -14.031 10.976 0.924 865 HA ARG 105 HA ARG 105 -12.176 12.228 -0.911 866 1HB ARG 105 2HB ARG 105 -13.997 12.117 -2.766 867 2HB ARG 105 1HB ARG 105 -12.956 10.713 -2.530 868 1HG ARG 105 2HG ARG 105 -14.753 9.828 -0.938 869 2HG ARG 105 1HG ARG 105 -15.799 11.097 -1.576 870 1HD ARG 105 2HD ARG 105 -14.768 9.990 -3.877 871 2HD ARG 105 1HD ARG 105 -14.933 8.581 -2.828 872 HE ARG 105 HE ARG 105 -17.312 9.892 -2.533 873 1HH1 ARG 105 1HH2 ARG 105 -15.390 8.767 -5.176 874 2HH1 ARG 105 2HH2 ARG 105 -16.751 8.455 -6.199 875 1HH2 ARG 105 1HH1 ARG 105 -19.092 9.487 -3.860 876 2HH2 ARG 105 2HH1 ARG 105 -18.844 8.862 -5.456 877 H LYS 106 H LYS 106 -15.622 12.030 0.039 878 HA LYS 106 HA LYS 106 -15.628 14.989 0.079 879 1HB LYS 106 2HB LYS 106 -17.413 13.121 -1.090 880 2HB LYS 106 1HB LYS 106 -18.256 13.835 0.285 881 1HG LYS 106 2HG LYS 106 -18.110 16.002 -0.579 882 2HG LYS 106 1HG LYS 106 -16.731 15.605 -1.605 883 1HD LYS 106 2HD LYS 106 -18.709 15.844 -3.005 884 2HD LYS 106 1HD LYS 106 -18.229 14.146 -2.977 885 1HE LYS 106 2HE LYS 106 -19.907 13.706 -1.213 886 2HE LYS 106 1HE LYS 106 -20.401 15.398 -1.270 887 1HZ LYS 106 1HZ LYS 106 -21.407 15.081 -3.229 888 2HZ LYS 106 2HZ LYS 106 -21.544 13.572 -2.715 889 3HZ LYS 106 3HZ LYS 106 -20.387 13.961 -3.749 890 H ALA 107 H ALA 107 -17.792 12.646 1.656 891 HA ALA 107 HA ALA 107 -16.696 13.293 4.269 892 1HB ALA 107 1HB ALA 107 -19.286 14.410 3.246 893 2HB ALA 107 2HB ALA 107 -18.062 15.179 4.256 894 3HB ALA 107 3HB ALA 107 -19.148 13.976 4.950 895 H ASN 108 H ASN 108 -17.125 10.878 2.652 896 HA ASN 108 HA ASN 108 -18.480 9.327 4.691 897 1HB ASN 108 2HB ASN 108 -19.864 10.142 2.284 898 2HB ASN 108 1HB ASN 108 -19.676 8.388 2.319 899 1HD2 ASN 108 1HD2 ASN 108 -20.279 10.856 4.894 900 2HD2 ASN 108 2HD2 ASN 108 -21.621 10.050 5.549 Start of MODEL 3 1 1H MET 1 1H MET 1 -13.048 -18.680 -8.808 2 2H MET 1 2H MET 1 -14.100 -17.644 -8.192 3 3H MET 1 3H MET 1 -14.066 -17.905 -9.770 4 HA MET 1 HA MET 1 -14.716 -20.215 -9.420 5 1HB MET 1 2HB MET 1 -13.853 -20.166 -7.035 6 2HB MET 1 1HB MET 1 -15.281 -19.219 -6.615 7 1HG MET 1 2HG MET 1 -16.023 -21.383 -6.169 8 2HG MET 1 1HG MET 1 -16.573 -21.163 -7.831 9 1HE MET 1 1HE MET 1 -15.950 -24.679 -7.479 10 2HE MET 1 2HE MET 1 -16.432 -23.479 -6.282 11 3HE MET 1 3HE MET 1 -14.930 -24.375 -6.066 12 H ALA 2 H ALA 2 -16.093 -17.351 -7.774 13 HA ALA 2 HA ALA 2 -18.704 -18.020 -8.937 14 1HB ALA 2 1HB ALA 2 -17.923 -16.924 -6.494 15 2HB ALA 2 2HB ALA 2 -19.566 -16.970 -7.135 16 3HB ALA 2 3HB ALA 2 -18.556 -15.548 -7.398 17 H THR 3 H THR 3 -19.727 -15.424 -9.190 18 HA THR 3 HA THR 3 -18.834 -14.724 -11.777 19 HB THR 3 HB THR 3 -20.039 -12.444 -10.660 20 HG1 THR 3 HG1 THR 3 -20.928 -13.232 -8.932 21 1HG2 THR 3 1HG2 THR 3 -20.404 -14.105 -12.790 22 2HG2 THR 3 2HG2 THR 3 -21.541 -12.840 -12.324 23 3HG2 THR 3 3HG2 THR 3 -21.815 -14.505 -11.812 24 H SER 4 H SER 4 -18.392 -12.045 -11.892 25 HA SER 4 HA SER 4 -15.718 -11.683 -11.480 26 1HB SER 4 2HB SER 4 -17.694 -10.096 -12.418 27 2HB SER 4 1HB SER 4 -17.399 -9.311 -10.869 28 HG SER 4 HG SER 4 -15.506 -8.678 -11.559 29 H SER 5 H SER 5 -14.406 -11.019 -9.764 30 HA SER 5 HA SER 5 -15.751 -10.969 -7.128 31 1HB SER 5 2HB SER 5 -12.828 -11.543 -7.492 32 2HB SER 5 1HB SER 5 -13.913 -12.070 -6.208 33 HG SER 5 HG SER 5 -13.778 -12.966 -8.895 34 H GLU 6 H GLU 6 -13.163 -10.089 -5.938 35 HA GLU 6 HA GLU 6 -13.633 -7.289 -6.072 36 1HB GLU 6 2HB GLU 6 -11.205 -8.761 -5.039 37 2HB GLU 6 1HB GLU 6 -11.597 -7.077 -4.724 38 1HG GLU 6 2HG GLU 6 -13.030 -9.543 -3.747 39 2HG GLU 6 1HG GLU 6 -12.388 -8.192 -2.815 40 H GLU 7 H GLU 7 -11.930 -5.731 -6.677 41 HA GLU 7 HA GLU 7 -10.456 -6.660 -9.078 42 1HB GLU 7 2HB GLU 7 -11.334 -3.808 -8.756 43 2HB GLU 7 1HB GLU 7 -11.008 -4.712 -10.234 44 1HG GLU 7 2HG GLU 7 -13.050 -6.132 -9.661 45 2HG GLU 7 1HG GLU 7 -13.425 -4.925 -8.429 46 H VAL 8 H VAL 8 -8.241 -6.668 -8.454 47 HA VAL 8 HA VAL 8 -7.485 -4.675 -6.468 48 HB VAL 8 HB VAL 8 -5.635 -6.058 -6.003 49 1HG1 VAL 8 1HG1 VAL 8 -7.895 -7.095 -5.500 50 2HG1 VAL 8 2HG1 VAL 8 -6.566 -8.246 -5.649 51 3HG1 VAL 8 3HG1 VAL 8 -7.707 -8.041 -6.977 52 1HG2 VAL 8 1HG2 VAL 8 -6.119 -7.402 -8.684 53 2HG2 VAL 8 2HG2 VAL 8 -4.853 -7.837 -7.535 54 3HG2 VAL 8 3HG2 VAL 8 -4.821 -6.262 -8.327 55 H LEU 9 H LEU 9 -5.619 -3.383 -6.823 56 HA LEU 9 HA LEU 9 -5.470 -2.557 -9.630 57 1HB LEU 9 2HB LEU 9 -6.050 -0.869 -7.992 58 2HB LEU 9 1HB LEU 9 -4.586 -1.215 -7.071 59 HG LEU 9 HG LEU 9 -3.294 -0.639 -9.204 60 1HD1 LEU 9 1HD1 LEU 9 -5.826 -0.614 -10.314 61 2HD1 LEU 9 2HD1 LEU 9 -4.395 0.114 -11.044 62 3HD1 LEU 9 3HD1 LEU 9 -5.495 1.103 -10.082 63 1HD2 LEU 9 1HD2 LEU 9 -4.597 1.070 -7.232 64 2HD2 LEU 9 2HD2 LEU 9 -4.278 1.937 -8.734 65 3HD2 LEU 9 3HD2 LEU 9 -2.954 1.155 -7.868 66 H LEU 10 H LEU 10 -3.098 -3.558 -7.033 67 HA LEU 10 HA LEU 10 -1.330 -4.376 -9.148 68 1HB LEU 10 2HB LEU 10 -0.886 -2.025 -9.387 69 2HB LEU 10 1HB LEU 10 -0.717 -1.823 -7.644 70 HG LEU 10 HG LEU 10 1.047 -3.826 -8.984 71 1HD1 LEU 10 1HD1 LEU 10 2.506 -2.262 -9.919 72 2HD1 LEU 10 2HD1 LEU 10 1.877 -0.939 -8.937 73 3HD1 LEU 10 3HD1 LEU 10 0.938 -1.550 -10.299 74 1HD2 LEU 10 1HD2 LEU 10 0.792 -2.684 -6.439 75 2HD2 LEU 10 2HD2 LEU 10 2.217 -1.906 -7.129 76 3HD2 LEU 10 3HD2 LEU 10 2.141 -3.664 -7.013 77 H ILE 11 H ILE 11 0.534 -5.512 -8.315 78 HA ILE 11 HA ILE 11 0.485 -5.849 -5.383 79 HB ILE 11 HB ILE 11 -0.448 -7.868 -6.087 80 1HG1 ILE 11 2HG1 ILE 11 1.911 -8.095 -4.958 81 2HG1 ILE 11 1HG1 ILE 11 1.172 -9.521 -5.673 82 1HG2 ILE 11 1HG2 ILE 11 -0.394 -7.422 -8.472 83 2HG2 ILE 11 2HG2 ILE 11 0.274 -9.028 -8.181 84 3HG2 ILE 11 3HG2 ILE 11 1.352 -7.671 -8.516 85 1HD1 ILE 11 1HD1 ILE 11 2.711 -8.039 -7.645 86 2HD1 ILE 11 2HD1 ILE 11 2.830 -9.733 -7.179 87 3HD1 ILE 11 3HD1 ILE 11 3.704 -8.504 -6.266 88 H VAL 12 H VAL 12 2.478 -5.804 -4.452 89 HA VAL 12 HA VAL 12 4.781 -5.775 -6.293 90 HB VAL 12 HB VAL 12 5.795 -4.293 -4.318 91 1HG1 VAL 12 1HG1 VAL 12 5.687 -2.554 -5.823 92 2HG1 VAL 12 2HG1 VAL 12 3.972 -2.801 -6.145 93 3HG1 VAL 12 3HG1 VAL 12 5.170 -3.863 -6.887 94 1HG2 VAL 12 1HG2 VAL 12 2.931 -4.275 -3.795 95 2HG2 VAL 12 2HG2 VAL 12 3.532 -2.668 -4.145 96 3HG2 VAL 12 3HG2 VAL 12 4.244 -3.608 -2.837 97 H LYS 13 H LYS 13 5.407 -7.804 -6.000 98 HA LYS 13 HA LYS 13 5.415 -9.347 -3.680 99 1HB LYS 13 2HB LYS 13 6.540 -10.885 -4.961 100 2HB LYS 13 1HB LYS 13 5.942 -9.834 -6.234 101 1HG LYS 13 2HG LYS 13 8.680 -9.542 -4.973 102 2HG LYS 13 1HG LYS 13 8.374 -10.429 -6.465 103 1HD LYS 13 2HD LYS 13 7.074 -8.042 -6.927 104 2HD LYS 13 1HD LYS 13 8.493 -7.531 -6.012 105 1HE LYS 13 2HE LYS 13 9.973 -8.252 -7.633 106 2HE LYS 13 1HE LYS 13 8.892 -9.524 -8.202 107 1HZ LYS 13 1HZ LYS 13 8.596 -8.034 -9.823 108 2HZ LYS 13 2HZ LYS 13 8.964 -6.758 -8.931 109 3HZ LYS 13 3HZ LYS 13 7.509 -7.416 -8.823 110 H LYS 14 H LYS 14 7.338 -6.731 -4.541 111 HA LYS 14 HA LYS 14 9.242 -7.417 -2.385 112 1HB LYS 14 2HB LYS 14 9.786 -6.596 -5.050 113 2HB LYS 14 1HB LYS 14 10.190 -5.239 -4.000 114 1HG LYS 14 2HG LYS 14 12.087 -6.856 -4.316 115 2HG LYS 14 1HG LYS 14 11.615 -6.637 -2.629 116 1HD LYS 14 2HD LYS 14 10.603 -8.730 -2.496 117 2HD LYS 14 1HD LYS 14 10.331 -8.822 -4.236 118 1HE LYS 14 2HE LYS 14 12.872 -8.921 -4.489 119 2HE LYS 14 1HE LYS 14 12.938 -9.178 -2.746 120 1HZ LYS 14 1HZ LYS 14 12.135 -11.220 -2.984 121 2HZ LYS 14 2HZ LYS 14 12.642 -11.118 -4.498 122 3HZ LYS 14 3HZ LYS 14 11.105 -10.840 -4.150 123 H VAL 15 H VAL 15 8.847 -6.280 -0.582 124 HA VAL 15 HA VAL 15 8.560 -3.435 -0.896 125 HB VAL 15 HB VAL 15 6.195 -4.990 0.090 126 1HG1 VAL 15 1HG1 VAL 15 6.628 -2.055 0.631 127 2HG1 VAL 15 2HG1 VAL 15 7.004 -3.278 1.847 128 3HG1 VAL 15 3HG1 VAL 15 5.355 -3.102 1.246 129 1HG2 VAL 15 1HG2 VAL 15 6.936 -3.007 -1.969 130 2HG2 VAL 15 2HG2 VAL 15 5.349 -2.799 -1.234 131 3HG2 VAL 15 3HG2 VAL 15 5.757 -4.312 -2.044 132 H ARG 16 H ARG 16 9.117 -2.295 0.898 133 HA ARG 16 HA ARG 16 10.231 -3.888 3.127 134 1HB ARG 16 2HB ARG 16 12.104 -3.050 1.865 135 2HB ARG 16 1HB ARG 16 11.326 -1.499 1.615 136 1HG ARG 16 2HG ARG 16 12.172 -0.695 3.528 137 2HG ARG 16 1HG ARG 16 11.481 -2.032 4.438 138 1HD ARG 16 2HD ARG 16 14.221 -1.750 3.247 139 2HD ARG 16 1HD ARG 16 13.757 -2.357 4.836 140 HE ARG 16 HE ARG 16 12.731 -4.221 3.146 141 1HH1 ARG 16 1HH2 ARG 16 15.801 -2.688 3.586 142 2HH1 ARG 16 2HH2 ARG 16 16.705 -4.050 3.014 143 1HH2 ARG 16 1HH1 ARG 16 13.908 -5.997 2.389 144 2HH2 ARG 16 2HH1 ARG 16 15.638 -5.916 2.339 145 H GLN 17 H GLN 17 9.737 -3.072 5.124 146 HA GLN 17 HA GLN 17 8.527 -0.409 5.214 147 1HB GLN 17 2HB GLN 17 6.649 -1.460 6.644 148 2HB GLN 17 1HB GLN 17 6.563 -1.725 4.907 149 1HG GLN 17 2HG GLN 17 7.512 -3.900 5.088 150 2HG GLN 17 1HG GLN 17 7.848 -3.654 6.791 151 1HE2 GLN 17 1HE2 GLN 17 6.502 -5.642 7.090 152 2HE2 GLN 17 2HE2 GLN 17 4.811 -5.492 7.134 153 H LYS 18 H LYS 18 9.139 0.577 7.081 154 HA LYS 18 HA LYS 18 11.305 -0.004 8.477 155 1HB LYS 18 2HB LYS 18 8.990 1.598 9.041 156 2HB LYS 18 1HB LYS 18 9.569 0.864 10.538 157 1HG LYS 18 2HG LYS 18 11.365 2.221 10.588 158 2HG LYS 18 1HG LYS 18 11.796 1.793 8.932 159 1HD LYS 18 2HD LYS 18 10.034 3.401 8.132 160 2HD LYS 18 1HD LYS 18 9.817 3.915 9.805 161 1HE LYS 18 2HE LYS 18 12.467 4.188 9.682 162 2HE LYS 18 1HE LYS 18 12.124 4.378 7.963 163 1HZ LYS 18 1HZ LYS 18 10.935 5.939 10.122 164 2HZ LYS 18 2HZ LYS 18 10.547 6.085 8.576 165 3HZ LYS 18 3HZ LYS 18 12.020 6.468 9.070 166 H LYS 19 H LYS 19 8.323 -1.802 8.902 167 HA LYS 19 HA LYS 19 9.272 -3.049 11.328 168 1HB LYS 19 2HB LYS 19 7.262 -4.501 11.052 169 2HB LYS 19 1HB LYS 19 6.864 -2.789 11.015 170 1HG LYS 19 2HG LYS 19 7.090 -3.075 8.392 171 2HG LYS 19 1HG LYS 19 6.849 -4.787 8.742 172 1HD LYS 19 2HD LYS 19 4.973 -2.480 9.254 173 2HD LYS 19 1HD LYS 19 4.666 -3.973 8.367 174 1HE LYS 19 2HE LYS 19 5.027 -5.201 10.578 175 2HE LYS 19 1HE LYS 19 4.955 -3.622 11.359 176 1HZ LYS 19 1HZ LYS 19 2.862 -5.104 10.090 177 2HZ LYS 19 2HZ LYS 19 2.820 -3.519 9.882 178 3HZ LYS 19 3HZ LYS 19 2.792 -4.132 11.360 179 H GLN 20 H GLN 20 8.578 -4.265 8.077 180 HA GLN 20 HA GLN 20 10.836 -6.097 8.177 181 1HB GLN 20 2HB GLN 20 8.255 -6.918 8.896 182 2HB GLN 20 1HB GLN 20 8.488 -7.483 7.238 183 1HG GLN 20 2HG GLN 20 10.895 -7.866 8.773 184 2HG GLN 20 1HG GLN 20 9.527 -8.647 9.572 185 1HE2 GLN 20 1HE2 GLN 20 10.659 -10.732 8.900 186 2HE2 GLN 20 2HE2 GLN 20 10.409 -11.312 7.325 187 H ASP 21 H ASP 21 10.983 -7.328 6.020 188 HA ASP 21 HA ASP 21 10.066 -5.494 3.886 189 1HB ASP 21 2HB ASP 21 12.055 -7.688 3.380 190 2HB ASP 21 1HB ASP 21 11.944 -6.097 2.615 191 H GLY 22 H GLY 22 8.572 -6.368 2.567 192 1HA GLY 22 2HA GLY 22 8.085 -9.201 2.443 193 2HA GLY 22 1HA GLY 22 6.909 -8.332 3.396 194 H ALA 23 H ALA 23 6.159 -9.646 1.027 195 HA ALA 23 HA ALA 23 6.048 -7.691 -1.042 196 1HB ALA 23 1HB ALA 23 6.129 -9.978 -1.732 197 2HB ALA 23 2HB ALA 23 4.491 -9.423 -2.080 198 3HB ALA 23 3HB ALA 23 4.802 -10.411 -0.655 199 H LEU 24 H LEU 24 4.661 -6.380 -1.416 200 HA LEU 24 HA LEU 24 2.261 -6.105 0.306 201 1HB LEU 24 2HB LEU 24 4.244 -4.303 -0.694 202 2HB LEU 24 1HB LEU 24 2.682 -3.775 -1.296 203 HG LEU 24 HG LEU 24 3.600 -4.127 1.548 204 1HD1 LEU 24 1HD1 LEU 24 2.205 -1.787 1.344 205 2HD1 LEU 24 2HD1 LEU 24 2.821 -1.939 -0.299 206 3HD1 LEU 24 3HD1 LEU 24 3.941 -1.913 1.060 207 1HD2 LEU 24 1HD2 LEU 24 0.868 -4.379 0.406 208 2HD2 LEU 24 2HD2 LEU 24 1.024 -3.325 1.812 209 3HD2 LEU 24 3HD2 LEU 24 1.519 -5.014 1.917 210 H TYR 25 H TYR 25 0.261 -6.221 -0.524 211 HA TYR 25 HA TYR 25 -0.089 -6.483 -3.460 212 1HB TYR 25 2HB TYR 25 -1.415 -7.681 -1.039 213 2HB TYR 25 1HB TYR 25 -2.372 -7.443 -2.496 214 HD1 TYR 25 HD1 TYR 25 0.252 -9.391 -0.894 215 HD2 TYR 25 HD2 TYR 25 -1.727 -8.557 -4.613 216 HE1 TYR 25 HE1 TYR 25 1.154 -11.503 -1.832 217 HE2 TYR 25 HE2 TYR 25 -0.830 -10.677 -5.558 218 HH TYR 25 HH TYR 25 1.548 -12.204 -4.717 219 H LEU 26 H LEU 26 -1.499 -4.787 -4.408 220 HA LEU 26 HA LEU 26 -2.780 -3.130 -2.350 221 1HB LEU 26 2HB LEU 26 -1.182 -2.534 -4.714 222 2HB LEU 26 1HB LEU 26 -2.766 -1.760 -4.790 223 HG LEU 26 HG LEU 26 -2.429 -0.663 -2.687 224 1HD1 LEU 26 1HD1 LEU 26 -1.433 -2.310 -1.328 225 2HD1 LEU 26 2HD1 LEU 26 -0.163 -1.097 -1.501 226 3HD1 LEU 26 3HD1 LEU 26 -0.110 -2.575 -2.463 227 1HD2 LEU 26 1HD2 LEU 26 -0.099 0.421 -3.089 228 2HD2 LEU 26 2HD2 LEU 26 -1.321 0.599 -4.349 229 3HD2 LEU 26 3HD2 LEU 26 -0.037 -0.598 -4.527 230 H MET 27 H MET 27 -4.969 -2.946 -2.484 231 HA MET 27 HA MET 27 -6.281 -4.133 -4.845 232 1HB MET 27 2HB MET 27 -6.467 -5.389 -2.575 233 2HB MET 27 1HB MET 27 -7.485 -4.040 -2.075 234 1HG MET 27 2HG MET 27 -9.210 -4.652 -3.447 235 2HG MET 27 1HG MET 27 -8.130 -5.240 -4.711 236 1HE MET 27 1HE MET 27 -6.378 -6.850 -4.048 237 2HE MET 27 2HE MET 27 -6.939 -8.509 -3.853 238 3HE MET 27 3HE MET 27 -6.353 -7.615 -2.453 239 H ALA 28 H ALA 28 -8.097 -2.865 -5.608 240 HA ALA 28 HA ALA 28 -7.929 -0.139 -5.476 241 1HB ALA 28 1HB ALA 28 -10.642 -0.452 -5.628 242 2HB ALA 28 2HB ALA 28 -10.096 -2.076 -6.064 243 3HB ALA 28 3HB ALA 28 -9.549 -0.677 -6.994 244 H GLU 29 H GLU 29 -10.226 -2.025 -3.513 245 HA GLU 29 HA GLU 29 -10.632 0.227 -1.779 246 1HB GLU 29 2HB GLU 29 -12.543 -1.065 -2.242 247 2HB GLU 29 1HB GLU 29 -11.690 -2.577 -1.940 248 1HG GLU 29 2HG GLU 29 -11.891 -2.395 0.358 249 2HG GLU 29 1HG GLU 29 -11.921 -0.633 0.329 250 H ARG 30 H ARG 30 -8.112 -2.115 -1.639 251 HA ARG 30 HA ARG 30 -7.685 -1.256 1.088 252 1HB ARG 30 2HB ARG 30 -8.034 -3.213 2.244 253 2HB ARG 30 1HB ARG 30 -9.351 -3.265 1.086 254 1HG ARG 30 2HG ARG 30 -7.169 -4.485 -0.207 255 2HG ARG 30 1HG ARG 30 -7.151 -5.104 1.448 256 1HD ARG 30 2HD ARG 30 -8.615 -6.531 0.139 257 2HD ARG 30 1HD ARG 30 -9.617 -5.567 1.217 258 HE ARG 30 HE ARG 30 -9.330 -4.124 -1.168 259 1HH1 ARG 30 1HH2 ARG 30 -10.569 -7.157 -0.063 260 2HH1 ARG 30 2HH2 ARG 30 -11.767 -7.266 -1.308 261 1HH2 ARG 30 1HH1 ARG 30 -10.895 -4.254 -2.786 262 2HH2 ARG 30 2HH1 ARG 30 -11.950 -5.626 -2.849 263 H ILE 31 H ILE 31 -5.752 -2.194 2.040 264 HA ILE 31 HA ILE 31 -3.725 -2.756 -0.052 265 HB ILE 31 HB ILE 31 -3.745 -1.137 2.454 266 1HG1 ILE 31 2HG1 ILE 31 -2.318 -1.047 -0.218 267 2HG1 ILE 31 1HG1 ILE 31 -3.637 -0.015 0.331 268 1HG2 ILE 31 1HG2 ILE 31 -1.375 -1.408 2.885 269 2HG2 ILE 31 2HG2 ILE 31 -1.207 -2.523 1.529 270 3HG2 ILE 31 3HG2 ILE 31 -2.121 -3.004 2.958 271 1HD1 ILE 31 1HD1 ILE 31 -0.866 -0.129 1.554 272 2HD1 ILE 31 2HD1 ILE 31 -2.187 0.902 2.106 273 3HD1 ILE 31 3HD1 ILE 31 -1.474 1.158 0.513 274 H ALA 32 H ALA 32 -2.434 -4.628 0.223 275 HA ALA 32 HA ALA 32 -3.061 -6.253 2.611 276 1HB ALA 32 1HB ALA 32 -3.365 -6.901 -0.261 277 2HB ALA 32 2HB ALA 32 -4.253 -7.517 1.132 278 3HB ALA 32 3HB ALA 32 -2.657 -8.162 0.749 279 H TRP 33 H TRP 33 -1.408 -7.458 3.448 280 HA TRP 33 HA TRP 33 1.211 -7.055 2.101 281 1HB TRP 33 2HB TRP 33 0.898 -5.788 4.267 282 2HB TRP 33 1HB TRP 33 0.857 -7.349 5.066 283 HD1 TRP 33 HD1 TRP 33 3.094 -6.343 2.129 284 HE1 TRP 33 HE1 TRP 33 5.531 -6.568 2.921 285 HE3 TRP 33 HE3 TRP 33 2.427 -7.750 6.988 286 HZ2 TRP 33 HZ2 TRP 33 7.021 -7.266 5.159 287 HZ3 TRP 33 HZ3 TRP 33 4.383 -8.246 8.407 288 HH2 TRP 33 HH2 TRP 33 6.689 -8.024 7.506 289 H ALA 34 H ALA 34 2.565 -8.768 1.986 290 HA ALA 34 HA ALA 34 1.931 -11.228 3.375 291 1HB ALA 34 1HB ALA 34 2.336 -12.062 0.726 292 2HB ALA 34 2HB ALA 34 1.109 -10.794 0.677 293 3HB ALA 34 3HB ALA 34 0.876 -12.210 1.705 294 HA PRO 35 HA PRO 35 6.271 -11.414 2.590 295 1HB PRO 35 2HB PRO 35 6.838 -11.921 5.345 296 2HB PRO 35 1HB PRO 35 6.995 -10.382 4.488 297 1HG PRO 35 2HG PRO 35 5.058 -11.083 6.486 298 2HG PRO 35 1HG PRO 35 5.194 -9.567 5.592 299 1HD PRO 35 2HD PRO 35 3.252 -11.689 5.250 300 2HD PRO 35 1HD PRO 35 3.290 -10.090 4.484 301 H GLU 36 H GLU 36 7.786 -13.154 4.418 302 HA GLU 36 HA GLU 36 6.935 -15.706 3.282 303 1HB GLU 36 2HB GLU 36 9.388 -14.690 3.515 304 2HB GLU 36 1HB GLU 36 9.292 -15.456 5.102 305 1HG GLU 36 2HG GLU 36 8.265 -17.220 3.036 306 2HG GLU 36 1HG GLU 36 9.917 -16.717 2.675 307 H GLY 37 H GLY 37 5.187 -14.626 5.268 308 1HA GLY 37 2HA GLY 37 5.722 -15.641 7.858 309 2HA GLY 37 1HA GLY 37 4.124 -15.246 7.221 310 H LYS 38 H LYS 38 2.779 -16.988 7.218 311 HA LYS 38 HA LYS 38 3.783 -19.492 6.150 312 1HB LYS 38 2HB LYS 38 3.106 -20.821 8.100 313 2HB LYS 38 1HB LYS 38 4.339 -19.648 8.561 314 1HG LYS 38 2HG LYS 38 2.784 -18.253 9.646 315 2HG LYS 38 1HG LYS 38 1.412 -18.977 8.807 316 1HD LYS 38 2HD LYS 38 1.367 -19.848 11.041 317 2HD LYS 38 1HD LYS 38 1.974 -21.147 10.013 318 1HE LYS 38 2HE LYS 38 4.301 -20.495 10.605 319 2HE LYS 38 1HE LYS 38 3.657 -19.263 11.690 320 1HZ LYS 38 1HZ LYS 38 2.415 -21.215 12.681 321 2HZ LYS 38 2HZ LYS 38 3.970 -21.072 13.031 322 3HZ LYS 38 3HZ LYS 38 3.492 -22.143 11.943 323 H ASP 39 H ASP 39 2.007 -17.942 4.890 324 HA ASP 39 HA ASP 39 -0.285 -19.640 4.761 325 1HB ASP 39 2HB ASP 39 -0.869 -18.000 6.625 326 2HB ASP 39 1HB ASP 39 -0.688 -16.704 5.442 327 H ARG 40 H ARG 40 -1.153 -16.637 3.572 328 HA ARG 40 HA ARG 40 0.613 -16.767 1.270 329 1HB ARG 40 2HB ARG 40 -2.179 -16.146 0.597 330 2HB ARG 40 1HB ARG 40 -1.012 -17.134 -0.278 331 1HG ARG 40 2HG ARG 40 -1.366 -18.931 1.489 332 2HG ARG 40 1HG ARG 40 -2.723 -17.969 2.077 333 1HD ARG 40 2HD ARG 40 -2.832 -18.274 -0.804 334 2HD ARG 40 1HD ARG 40 -2.778 -19.847 -0.013 335 HE ARG 40 HE ARG 40 -5.018 -18.179 -0.160 336 1HH1 ARG 40 1HH2 ARG 40 -3.200 -19.920 2.222 337 2HH1 ARG 40 2HH2 ARG 40 -4.465 -19.861 3.398 338 1HH2 ARG 40 1HH1 ARG 40 -6.665 -18.132 1.362 339 2HH2 ARG 40 2HH1 ARG 40 -6.421 -18.863 2.913 340 H PHE 41 H PHE 41 -2.065 -15.166 2.804 341 HA PHE 41 HA PHE 41 -0.898 -12.556 2.091 342 1HB PHE 41 2HB PHE 41 -3.697 -13.465 2.741 343 2HB PHE 41 1HB PHE 41 -3.240 -11.764 2.873 344 HD1 PHE 41 HD1 PHE 41 -3.836 -14.566 0.594 345 HD2 PHE 41 HD2 PHE 41 -2.484 -10.500 0.901 346 HE1 PHE 41 HE1 PHE 41 -4.031 -14.320 -1.865 347 HE2 PHE 41 HE2 PHE 41 -2.681 -10.253 -1.564 348 HZ PHE 41 HZ PHE 41 -3.451 -12.169 -2.941 349 H THR 42 H THR 42 -0.775 -10.956 3.815 350 HA THR 42 HA THR 42 -0.868 -12.167 6.503 351 HB THR 42 HB THR 42 1.439 -11.467 5.087 352 HG1 THR 42 HG1 THR 42 1.032 -11.738 7.875 353 1HG2 THR 42 1HG2 THR 42 2.408 -9.707 6.651 354 2HG2 THR 42 2HG2 THR 42 0.749 -9.325 7.102 355 3HG2 THR 42 3HG2 THR 42 1.280 -9.123 5.430 356 H ILE 43 H ILE 43 -1.712 -9.531 4.482 357 HA ILE 43 HA ILE 43 -2.973 -8.264 6.800 358 HB ILE 43 HB ILE 43 -0.536 -7.302 5.673 359 1HG1 ILE 43 2HG1 ILE 43 -2.360 -6.648 7.944 360 2HG1 ILE 43 1HG1 ILE 43 -0.705 -7.259 7.983 361 1HG2 ILE 43 1HG2 ILE 43 -2.123 -5.988 4.176 362 2HG2 ILE 43 2HG2 ILE 43 -1.058 -5.004 5.171 363 3HG2 ILE 43 3HG2 ILE 43 -2.741 -5.232 5.641 364 1HD1 ILE 43 1HD1 ILE 43 -0.341 -4.889 6.695 365 2HD1 ILE 43 2HD1 ILE 43 -0.174 -5.091 8.445 366 3HD1 ILE 43 3HD1 ILE 43 -1.686 -4.488 7.764 367 H SER 44 H SER 44 -4.546 -6.710 6.267 368 HA SER 44 HA SER 44 -5.115 -6.068 3.548 369 1HB SER 44 2HB SER 44 -6.963 -8.000 4.972 370 2HB SER 44 1HB SER 44 -7.319 -7.204 3.442 371 HG SER 44 HG SER 44 -6.026 -9.447 3.801 372 H HIS 45 H HIS 45 -5.380 -3.915 4.123 373 HA HIS 45 HA HIS 45 -7.383 -3.365 6.233 374 1HB HIS 45 2HB HIS 45 -6.005 -1.003 5.375 375 2HB HIS 45 1HB HIS 45 -6.067 -1.709 6.986 376 HD1 HIS 45 HD1 HIS 45 -3.805 -2.211 7.854 377 HD2 HIS 45 HD2 HIS 45 -3.952 -2.606 3.715 378 HE1 HIS 45 HE1 HIS 45 -1.453 -2.774 7.104 379 H MET 46 H MET 46 -9.309 -2.852 5.380 380 HA MET 46 HA MET 46 -9.638 -2.152 2.636 381 1HB MET 46 2HB MET 46 -11.323 -2.855 4.823 382 2HB MET 46 1HB MET 46 -11.900 -1.330 4.157 383 1HG MET 46 2HG MET 46 -12.477 -2.266 2.151 384 2HG MET 46 1HG MET 46 -11.136 -3.411 2.183 385 1HE MET 46 1HE MET 46 -11.121 -5.401 2.515 386 2HE MET 46 2HE MET 46 -12.599 -5.918 1.709 387 3HE MET 46 3HE MET 46 -12.236 -6.508 3.329 388 H TYR 47 H TYR 47 -9.148 -0.263 1.817 389 HA TYR 47 HA TYR 47 -8.296 2.007 3.042 390 1HB TYR 47 2HB TYR 47 -9.795 1.568 0.470 391 2HB TYR 47 1HB TYR 47 -9.438 3.214 0.994 392 HD1 TYR 47 HD1 TYR 47 -6.883 1.256 2.417 393 HD2 TYR 47 HD2 TYR 47 -8.141 2.727 -1.437 394 HE1 TYR 47 HE1 TYR 47 -4.577 1.070 1.571 395 HE2 TYR 47 HE2 TYR 47 -5.840 2.539 -2.245 396 HH TYR 47 HH TYR 47 -3.183 2.102 -0.222 397 H ALA 48 H ALA 48 -11.801 1.259 2.479 398 HA ALA 48 HA ALA 48 -12.676 3.690 3.749 399 1HB ALA 48 1HB ALA 48 -14.056 2.165 2.224 400 2HB ALA 48 2HB ALA 48 -14.866 2.709 3.693 401 3HB ALA 48 3HB ALA 48 -14.203 1.076 3.604 402 H ASP 49 H ASP 49 -11.915 0.502 4.716 403 HA ASP 49 HA ASP 49 -12.731 0.567 7.459 404 1HB ASP 49 2HB ASP 49 -10.765 -1.166 5.948 405 2HB ASP 49 1HB ASP 49 -11.166 -1.410 7.647 406 H ILE 50 H ILE 50 -10.437 2.313 5.914 407 HA ILE 50 HA ILE 50 -8.993 2.806 8.420 408 HB ILE 50 HB ILE 50 -6.808 2.748 7.169 409 1HG1 ILE 50 2HG1 ILE 50 -7.146 1.104 5.080 410 2HG1 ILE 50 1HG1 ILE 50 -8.707 1.923 5.031 411 1HG2 ILE 50 1HG2 ILE 50 -6.516 0.555 7.757 412 2HG2 ILE 50 2HG2 ILE 50 -7.918 0.021 6.832 413 3HG2 ILE 50 3HG2 ILE 50 -8.137 0.741 8.426 414 1HD1 ILE 50 1HD1 ILE 50 -6.449 3.750 5.448 415 2HD1 ILE 50 2HD1 ILE 50 -7.795 3.866 4.317 416 3HD1 ILE 50 3HD1 ILE 50 -6.385 2.887 3.912 417 H LYS 51 H LYS 51 -8.352 5.142 8.527 418 HA LYS 51 HA LYS 51 -8.563 6.482 5.933 419 1HB LYS 51 2HB LYS 51 -10.783 6.550 7.353 420 2HB LYS 51 1HB LYS 51 -9.926 7.852 8.186 421 1HG LYS 51 2HG LYS 51 -10.097 7.690 5.176 422 2HG LYS 51 1HG LYS 51 -11.271 8.590 6.143 423 1HD LYS 51 2HD LYS 51 -8.269 9.057 6.010 424 2HD LYS 51 1HD LYS 51 -9.531 10.118 5.385 425 1HE LYS 51 2HE LYS 51 -10.230 9.687 8.067 426 2HE LYS 51 1HE LYS 51 -8.484 9.929 8.084 427 1HZ LYS 51 1HZ LYS 51 -9.020 11.873 6.597 428 2HZ LYS 51 2HZ LYS 51 -9.361 12.035 8.152 429 3HZ LYS 51 3HZ LYS 51 -10.532 11.732 7.104 430 H CYS 52 H CYS 52 -6.629 7.181 5.821 431 HA CYS 52 HA CYS 52 -5.791 9.521 6.976 432 1HB CYS 52 2HB CYS 52 -5.195 7.144 8.549 433 2HB CYS 52 1HB CYS 52 -3.775 8.120 8.193 434 HG CYS 52 HG CYS 52 -6.251 9.596 9.352 435 H GLN 53 H GLN 53 -4.185 10.200 5.571 436 HA GLN 53 HA GLN 53 -2.603 8.063 4.298 437 1HB GLN 53 2HB GLN 53 -4.520 9.922 2.974 438 2HB GLN 53 1HB GLN 53 -3.040 9.494 2.110 439 1HG GLN 53 2HG GLN 53 -4.292 7.181 3.377 440 2HG GLN 53 1HG GLN 53 -5.355 7.962 2.214 441 1HE2 GLN 53 1HE2 GLN 53 -4.892 5.802 1.008 442 2HE2 GLN 53 2HE2 GLN 53 -3.524 5.764 0.005 443 H LYS 54 H LYS 54 -0.606 8.526 4.337 444 HA LYS 54 HA LYS 54 0.309 11.337 4.257 445 1HB LYS 54 2HB LYS 54 0.567 9.328 6.291 446 2HB LYS 54 1HB LYS 54 2.162 9.635 5.615 447 1HG LYS 54 2HG LYS 54 0.242 11.703 6.720 448 2HG LYS 54 1HG LYS 54 1.730 11.150 7.485 449 1HD LYS 54 2HD LYS 54 2.039 12.127 4.708 450 2HD LYS 54 1HD LYS 54 1.583 13.357 5.887 451 1HE LYS 54 2HE LYS 54 3.472 12.657 7.331 452 2HE LYS 54 1HE LYS 54 3.944 11.468 6.117 453 1HZ LYS 54 1HZ LYS 54 3.787 14.342 5.646 454 2HZ LYS 54 2HZ LYS 54 4.284 13.246 4.592 455 3HZ LYS 54 3HZ LYS 54 5.147 13.538 5.908 456 H ILE 55 H ILE 55 1.362 11.500 2.252 457 HA ILE 55 HA ILE 55 3.334 9.410 1.675 458 HB ILE 55 HB ILE 55 2.347 9.700 -0.821 459 1HG1 ILE 55 2HG1 ILE 55 -0.143 9.532 -0.661 460 2HG1 ILE 55 1HG1 ILE 55 -0.032 9.917 1.056 461 1HG2 ILE 55 1HG2 ILE 55 2.456 7.494 -0.366 462 2HG2 ILE 55 2HG2 ILE 55 0.789 7.639 0.193 463 3HG2 ILE 55 3HG2 ILE 55 2.119 7.756 1.345 464 1HD1 ILE 55 1HD1 ILE 55 -0.539 11.930 -0.294 465 2HD1 ILE 55 2HD1 ILE 55 0.954 11.688 -1.200 466 3HD1 ILE 55 3HD1 ILE 55 1.018 12.075 0.519 467 H SER 56 H SER 56 5.035 10.818 1.790 468 HA SER 56 HA SER 56 4.970 13.048 -0.144 469 1HB SER 56 2HB SER 56 5.092 13.557 2.420 470 2HB SER 56 1HB SER 56 6.766 13.032 2.263 471 HG SER 56 HG SER 56 6.415 15.315 1.918 472 HA PRO 57 HA PRO 57 8.775 10.229 -0.335 473 1HB PRO 57 2HB PRO 57 7.947 8.355 -2.311 474 2HB PRO 57 1HB PRO 57 8.382 8.080 -0.622 475 1HG PRO 57 2HG PRO 57 5.774 7.976 -1.816 476 2HG PRO 57 1HG PRO 57 6.222 7.572 -0.169 477 1HD PRO 57 2HD PRO 57 4.820 9.911 -1.073 478 2HD PRO 57 1HD PRO 57 5.304 9.490 0.578 479 H GLU 58 H GLU 58 8.330 12.596 -1.545 480 HA GLU 58 HA GLU 58 8.812 12.102 -4.414 481 1HB GLU 58 2HB GLU 58 6.970 13.726 -3.668 482 2HB GLU 58 1HB GLU 58 8.270 14.770 -3.092 483 1HG GLU 58 2HG GLU 58 8.194 15.601 -5.216 484 2HG GLU 58 1HG GLU 58 9.179 14.186 -5.589 485 H GLY 59 H GLY 59 10.165 13.178 -1.399 486 1HA GLY 59 2HA GLY 59 12.782 13.361 -2.641 487 2HA GLY 59 1HA GLY 59 12.236 14.764 -1.704 488 H LYS 60 H LYS 60 11.136 11.548 -0.938 489 HA LYS 60 HA LYS 60 12.273 11.851 1.731 490 1HB LYS 60 2HB LYS 60 10.325 9.807 0.609 491 2HB LYS 60 1HB LYS 60 10.722 10.042 2.316 492 1HG LYS 60 2HG LYS 60 9.775 12.387 0.708 493 2HG LYS 60 1HG LYS 60 8.599 11.218 1.310 494 1HD LYS 60 2HD LYS 60 8.953 11.786 3.512 495 2HD LYS 60 1HD LYS 60 10.649 12.190 3.244 496 1HE LYS 60 2HE LYS 60 10.148 14.331 2.441 497 2HE LYS 60 1HE LYS 60 8.496 13.889 2.012 498 1HZ LYS 60 1HZ LYS 60 7.837 14.114 4.142 499 2HZ LYS 60 2HZ LYS 60 9.000 15.213 4.152 500 3HZ LYS 60 3HZ LYS 60 9.262 13.766 4.783 501 H ALA 61 H ALA 61 12.451 9.349 2.612 502 HA ALA 61 HA ALA 61 15.015 8.498 2.099 503 1HB ALA 61 1HB ALA 61 13.601 7.610 3.936 504 2HB ALA 61 2HB ALA 61 14.354 6.313 3.008 505 3HB ALA 61 3HB ALA 61 12.654 6.708 2.753 506 H LYS 62 H LYS 62 12.189 6.689 0.823 507 HA LYS 62 HA LYS 62 13.117 6.847 -1.850 508 1HB LYS 62 2HB LYS 62 13.385 4.089 -1.591 509 2HB LYS 62 1HB LYS 62 14.676 5.230 -1.897 510 1HG LYS 62 2HG LYS 62 15.273 5.334 0.395 511 2HG LYS 62 1HG LYS 62 13.701 4.714 0.920 512 1HD LYS 62 2HD LYS 62 14.336 2.553 0.659 513 2HD LYS 62 1HD LYS 62 15.173 2.884 -0.859 514 1HE LYS 62 2HE LYS 62 17.179 3.197 0.171 515 2HE LYS 62 1HE LYS 62 16.453 4.041 1.539 516 1HZ LYS 62 1HZ LYS 62 15.567 1.663 1.985 517 2HZ LYS 62 2HZ LYS 62 17.015 2.106 2.500 518 3HZ LYS 62 3HZ LYS 62 16.875 1.225 1.172 519 H ILE 63 H ILE 63 10.523 7.271 -1.004 520 HA ILE 63 HA ILE 63 8.525 6.710 -1.735 521 HB ILE 63 HB ILE 63 8.132 5.229 -3.351 522 1HG1 ILE 63 2HG1 ILE 63 9.605 3.338 -1.676 523 2HG1 ILE 63 1HG1 ILE 63 8.413 3.013 -2.928 524 1HG2 ILE 63 1HG2 ILE 63 10.232 6.726 -3.655 525 2HG2 ILE 63 2HG2 ILE 63 9.905 5.472 -4.849 526 3HG2 ILE 63 3HG2 ILE 63 11.133 5.209 -3.608 527 1HD1 ILE 63 1HD1 ILE 63 10.104 3.039 -4.648 528 2HD1 ILE 63 2HD1 ILE 63 10.729 2.033 -3.353 529 3HD1 ILE 63 3HD1 ILE 63 11.309 3.675 -3.547 530 H GLN 64 H GLN 64 8.294 6.843 0.456 531 HA GLN 64 HA GLN 64 7.265 4.316 1.657 532 1HB GLN 64 2HB GLN 64 7.619 6.071 3.794 533 2HB GLN 64 1HB GLN 64 8.655 4.706 3.397 534 1HG GLN 64 2HG GLN 64 9.956 6.250 1.868 535 2HG GLN 64 1HG GLN 64 9.007 7.587 2.515 536 1HE2 GLN 64 1HE2 GLN 64 10.213 4.772 4.392 537 2HE2 GLN 64 2HE2 GLN 64 11.225 5.685 5.401 538 H LEU 65 H LEU 65 5.122 4.366 2.291 539 HA LEU 65 HA LEU 65 3.856 7.028 2.257 540 1HB LEU 65 2HB LEU 65 1.774 5.934 1.439 541 2HB LEU 65 1HB LEU 65 3.109 5.858 0.297 542 HG LEU 65 HG LEU 65 1.793 3.735 0.500 543 1HD1 LEU 65 1HD1 LEU 65 3.656 2.740 -0.201 544 2HD1 LEU 65 2HD1 LEU 65 4.296 2.698 1.439 545 3HD1 LEU 65 3HD1 LEU 65 4.587 4.104 0.414 546 1HD2 LEU 65 1HD2 LEU 65 1.592 4.074 3.082 547 2HD2 LEU 65 2HD2 LEU 65 3.150 3.255 3.127 548 3HD2 LEU 65 3HD2 LEU 65 1.750 2.441 2.436 549 H GLN 66 H GLN 66 1.771 7.082 3.586 550 HA GLN 66 HA GLN 66 1.853 5.176 5.826 551 1HB GLN 66 2HB GLN 66 2.792 7.879 5.930 552 2HB GLN 66 1HB GLN 66 1.328 7.752 6.906 553 1HG GLN 66 2HG GLN 66 2.250 5.945 8.199 554 2HG GLN 66 1HG GLN 66 3.635 5.802 7.116 555 1HE2 GLN 66 1HE2 GLN 66 2.093 8.660 8.705 556 2HE2 GLN 66 2HE2 GLN 66 3.531 9.222 9.412 557 H LEU 67 H LEU 67 -0.109 4.683 6.576 558 HA LEU 67 HA LEU 67 -2.443 6.348 5.863 559 1HB LEU 67 2HB LEU 67 -2.325 4.655 4.122 560 2HB LEU 67 1HB LEU 67 -2.077 3.383 5.315 561 HG LEU 67 HG LEU 67 -4.452 4.716 6.077 562 1HD1 LEU 67 1HD1 LEU 67 -4.911 3.783 3.294 563 2HD1 LEU 67 2HD1 LEU 67 -4.115 5.346 3.465 564 3HD1 LEU 67 3HD1 LEU 67 -5.702 5.081 4.189 565 1HD2 LEU 67 1HD2 LEU 67 -5.240 2.558 6.120 566 2HD2 LEU 67 2HD2 LEU 67 -3.538 2.167 5.888 567 3HD2 LEU 67 3HD2 LEU 67 -4.629 2.201 4.504 568 H VAL 68 H VAL 68 -4.184 6.102 7.401 569 HA VAL 68 HA VAL 68 -3.440 4.375 9.665 570 HB VAL 68 HB VAL 68 -4.878 6.950 10.202 571 1HG1 VAL 68 1HG1 VAL 68 -4.884 5.402 12.021 572 2HG1 VAL 68 2HG1 VAL 68 -3.605 6.558 12.383 573 3HG1 VAL 68 3HG1 VAL 68 -3.195 4.971 11.736 574 1HG2 VAL 68 1HG2 VAL 68 -2.471 7.041 9.007 575 2HG2 VAL 68 2HG2 VAL 68 -1.963 6.722 10.666 576 3HG2 VAL 68 3HG2 VAL 68 -2.923 8.156 10.298 577 H LEU 69 H LEU 69 -5.078 3.741 10.973 578 HA LEU 69 HA LEU 69 -7.453 2.998 9.472 579 1HB LEU 69 2HB LEU 69 -6.457 2.201 12.222 580 2HB LEU 69 1HB LEU 69 -7.624 1.317 11.263 581 HG LEU 69 HG LEU 69 -4.727 1.151 11.227 582 1HD1 LEU 69 1HD1 LEU 69 -5.694 -0.908 11.107 583 2HD1 LEU 69 2HD1 LEU 69 -5.410 -0.623 9.386 584 3HD1 LEU 69 3HD1 LEU 69 -7.012 -0.345 10.079 585 1HD2 LEU 69 1HD2 LEU 69 -4.687 0.976 8.605 586 2HD2 LEU 69 2HD2 LEU 69 -4.380 2.514 9.406 587 3HD2 LEU 69 3HD2 LEU 69 -5.967 2.179 8.716 588 H HIS 70 H HIS 70 -9.597 3.586 10.172 589 HA HIS 70 HA HIS 70 -10.009 6.026 11.427 590 1HB HIS 70 2HB HIS 70 -12.260 4.955 12.180 591 2HB HIS 70 1HB HIS 70 -11.940 5.058 10.449 592 HD1 HIS 70 HD1 HIS 70 -11.778 2.573 13.316 593 HD2 HIS 70 HD2 HIS 70 -11.819 2.596 9.148 594 HE1 HIS 70 HE1 HIS 70 -12.001 0.157 12.588 595 H ALA 71 H ALA 71 -9.329 2.898 12.648 596 HA ALA 71 HA ALA 71 -9.706 3.538 15.442 597 1HB ALA 71 1HB ALA 71 -9.569 1.178 14.115 598 2HB ALA 71 2HB ALA 71 -9.199 1.332 15.833 599 3HB ALA 71 3HB ALA 71 -7.893 1.318 14.648 600 H GLY 72 H GLY 72 -7.147 2.412 16.289 601 1HA GLY 72 2HA GLY 72 -5.471 4.758 15.719 602 2HA GLY 72 1HA GLY 72 -5.428 3.818 17.214 603 H ASP 73 H ASP 73 -5.317 3.016 13.822 604 HA ASP 73 HA ASP 73 -2.763 1.616 14.357 605 1HB ASP 73 2HB ASP 73 -5.223 0.607 12.954 606 2HB ASP 73 1HB ASP 73 -3.634 -0.031 12.531 607 H THR 74 H THR 74 -1.196 2.110 12.980 608 HA THR 74 HA THR 74 -1.936 3.762 10.650 609 HB THR 74 HB THR 74 0.900 3.566 11.471 610 HG1 THR 74 HG1 THR 74 0.655 4.440 13.380 611 1HG2 THR 74 1HG2 THR 74 -0.173 6.216 11.385 612 2HG2 THR 74 2HG2 THR 74 -0.825 5.311 10.020 613 3HG2 THR 74 3HG2 THR 74 0.920 5.443 10.236 614 H THR 75 H THR 75 -0.469 3.398 8.700 615 HA THR 75 HA THR 75 0.548 0.658 8.599 616 HB THR 75 HB THR 75 -1.142 1.752 6.361 617 HG1 THR 75 HG1 THR 75 -2.844 0.466 7.362 618 1HG2 THR 75 1HG2 THR 75 0.311 -0.238 6.021 619 2HG2 THR 75 2HG2 THR 75 -1.402 -0.620 5.849 620 3HG2 THR 75 3HG2 THR 75 -0.546 -1.057 7.327 621 H ASN 76 H ASN 76 2.672 1.223 8.184 622 HA ASN 76 HA ASN 76 3.106 3.333 6.162 623 1HB ASN 76 2HB ASN 76 5.021 2.196 8.219 624 2HB ASN 76 1HB ASN 76 5.340 3.549 7.133 625 1HD2 ASN 76 1HD2 ASN 76 5.680 4.770 9.263 626 2HD2 ASN 76 2HD2 ASN 76 4.311 5.410 10.036 627 H PHE 77 H PHE 77 4.411 2.808 4.371 628 HA PHE 77 HA PHE 77 5.527 0.105 4.343 629 1HB PHE 77 2HB PHE 77 3.025 0.757 3.111 630 2HB PHE 77 1HB PHE 77 4.207 0.373 1.862 631 HD1 PHE 77 HD1 PHE 77 5.947 -1.533 2.934 632 HD2 PHE 77 HD2 PHE 77 1.733 -1.174 3.649 633 HE1 PHE 77 HE1 PHE 77 5.849 -3.923 3.486 634 HE2 PHE 77 HE2 PHE 77 1.627 -3.581 4.187 635 HZ PHE 77 HZ PHE 77 3.716 -4.932 4.097 636 H HIS 78 H HIS 78 7.116 -0.182 2.913 637 HA HIS 78 HA HIS 78 7.910 2.137 1.261 638 1HB HIS 78 2HB HIS 78 9.130 2.027 3.526 639 2HB HIS 78 1HB HIS 78 9.935 0.593 2.896 640 HD1 HIS 78 HD1 HIS 78 11.234 0.924 0.589 641 HD2 HIS 78 HD2 HIS 78 10.258 4.442 2.567 642 HE1 HIS 78 HE1 HIS 78 12.533 2.773 -0.529 643 H PHE 79 H PHE 79 9.396 1.651 -0.367 644 HA PHE 79 HA PHE 79 9.535 -1.204 -1.189 645 1HB PHE 79 2HB PHE 79 9.232 1.236 -2.938 646 2HB PHE 79 1HB PHE 79 9.235 -0.424 -3.479 647 HD1 PHE 79 HD1 PHE 79 7.331 2.194 -1.632 648 HD2 PHE 79 HD2 PHE 79 7.227 -1.761 -3.338 649 HE1 PHE 79 HE1 PHE 79 4.836 2.169 -1.446 650 HE2 PHE 79 HE2 PHE 79 4.780 -1.777 -3.112 651 HZ PHE 79 HZ PHE 79 3.588 0.146 -2.192 652 H SER 80 H SER 80 11.937 -1.734 -1.805 653 HA SER 80 HA SER 80 13.560 0.294 -2.749 654 1HB SER 80 2HB SER 80 13.564 1.424 -0.704 655 2HB SER 80 1HB SER 80 13.518 -0.083 0.213 656 HG SER 80 HG SER 80 15.621 -0.255 0.036 657 H ASN 81 H ASN 81 13.155 -2.315 -3.429 658 HA ASN 81 HA ASN 81 14.816 -4.247 -2.215 659 1HB ASN 81 2HB ASN 81 14.477 -4.333 -5.188 660 2HB ASN 81 1HB ASN 81 14.315 -5.630 -4.003 661 1HD2 ASN 81 1HD2 ASN 81 12.566 -3.973 -2.246 662 2HD2 ASN 81 2HD2 ASN 81 11.081 -3.861 -3.034 663 H GLU 82 H GLU 82 16.269 -4.826 -4.935 664 HA GLU 82 HA GLU 82 18.819 -4.022 -4.297 665 1HB GLU 82 2HB GLU 82 19.012 -3.763 -6.952 666 2HB GLU 82 1HB GLU 82 18.800 -5.349 -6.210 667 1HG GLU 82 2HG GLU 82 16.271 -3.925 -6.693 668 2HG GLU 82 1HG GLU 82 17.166 -4.299 -8.166 669 H SER 83 H SER 83 17.368 -2.250 -7.045 670 HA SER 83 HA SER 83 17.649 0.213 -5.501 671 1HB SER 83 2HB SER 83 18.636 -0.149 -8.346 672 2HB SER 83 1HB SER 83 18.786 1.290 -7.341 673 HG SER 83 HG SER 83 20.120 0.073 -5.944 674 H THR 84 H THR 84 15.354 -1.359 -6.029 675 HA THR 84 HA THR 84 14.150 -0.348 -8.465 676 HB THR 84 HB THR 84 13.683 -2.640 -7.590 677 HG1 THR 84 HG1 THR 84 12.061 -2.026 -8.834 678 1HG2 THR 84 1HG2 THR 84 13.585 -2.592 -5.301 679 2HG2 THR 84 2HG2 THR 84 11.861 -2.446 -5.640 680 3HG2 THR 84 3HG2 THR 84 12.810 -1.011 -5.256 681 H ALA 85 H ALA 85 14.263 0.721 -5.143 682 HA ALA 85 HA ALA 85 11.790 1.966 -5.037 683 1HB ALA 85 1HB ALA 85 13.736 3.590 -3.702 684 2HB ALA 85 2HB ALA 85 14.197 1.902 -3.480 685 3HB ALA 85 3HB ALA 85 12.601 2.452 -2.977 686 H VAL 86 H VAL 86 11.562 2.697 -7.098 687 HA VAL 86 HA VAL 86 12.506 5.422 -7.550 688 HB VAL 86 HB VAL 86 12.721 3.454 -9.817 689 1HG1 VAL 86 1HG1 VAL 86 13.367 5.314 -10.900 690 2HG1 VAL 86 2HG1 VAL 86 14.698 5.518 -9.761 691 3HG1 VAL 86 3HG1 VAL 86 13.130 6.255 -9.427 692 1HG2 VAL 86 1HG2 VAL 86 14.127 2.507 -8.073 693 2HG2 VAL 86 2HG2 VAL 86 14.816 4.090 -7.714 694 3HG2 VAL 86 3HG2 VAL 86 15.168 3.303 -9.253 695 H LYS 87 H LYS 87 11.469 4.698 -10.482 696 HA LYS 87 HA LYS 87 8.941 5.874 -10.205 697 1HB LYS 87 2HB LYS 87 10.603 4.961 -12.301 698 2HB LYS 87 1HB LYS 87 9.045 4.164 -12.520 699 1HG LYS 87 2HG LYS 87 7.945 6.419 -12.241 700 2HG LYS 87 1HG LYS 87 9.555 7.139 -12.268 701 1HD LYS 87 2HD LYS 87 9.774 6.861 -14.508 702 2HD LYS 87 1HD LYS 87 9.061 5.248 -14.469 703 1HE LYS 87 2HE LYS 87 7.533 7.864 -14.336 704 2HE LYS 87 1HE LYS 87 7.624 6.792 -15.733 705 1HZ LYS 87 1HZ LYS 87 6.757 5.092 -14.069 706 2HZ LYS 87 2HZ LYS 87 5.721 6.134 -14.702 707 3HZ LYS 87 3HZ LYS 87 6.270 6.357 -13.217 708 H GLU 88 H GLU 88 9.807 2.417 -10.547 709 HA GLU 88 HA GLU 88 7.414 1.170 -10.806 710 1HB GLU 88 2HB GLU 88 8.421 -0.344 -8.790 711 2HB GLU 88 1HB GLU 88 9.045 -0.408 -10.431 712 1HG GLU 88 2HG GLU 88 10.226 1.739 -8.795 713 2HG GLU 88 1HG GLU 88 10.579 0.112 -8.225 714 H ARG 89 H ARG 89 8.699 1.597 -7.590 715 HA ARG 89 HA ARG 89 6.287 1.321 -6.205 716 1HB ARG 89 2HB ARG 89 8.447 3.131 -5.180 717 2HB ARG 89 1HB ARG 89 7.520 1.910 -4.311 718 1HG ARG 89 2HG ARG 89 9.770 1.426 -6.295 719 2HG ARG 89 1HG ARG 89 9.768 1.026 -4.597 720 1HD ARG 89 2HD ARG 89 8.116 -0.686 -4.893 721 2HD ARG 89 1HD ARG 89 7.743 -0.129 -6.518 722 HE ARG 89 HE ARG 89 10.402 -0.785 -6.631 723 1HH1 ARG 89 1HH2 ARG 89 7.507 -2.325 -5.556 724 2HH1 ARG 89 2HH2 ARG 89 8.013 -3.907 -6.043 725 1HH2 ARG 89 1HH1 ARG 89 11.070 -2.852 -7.271 726 2HH2 ARG 89 2HH1 ARG 89 10.023 -4.205 -7.007 727 H ASP 90 H ASP 90 8.026 4.125 -7.344 728 HA ASP 90 HA ASP 90 6.565 6.272 -6.480 729 1HB ASP 90 2HB ASP 90 8.424 6.234 -8.296 730 2HB ASP 90 1HB ASP 90 7.100 6.037 -9.442 731 H ALA 91 H ALA 91 5.668 4.325 -9.356 732 HA ALA 91 HA ALA 91 3.123 5.475 -9.696 733 1HB ALA 91 1HB ALA 91 3.907 4.255 -11.532 734 2HB ALA 91 2HB ALA 91 2.708 3.161 -10.843 735 3HB ALA 91 3HB ALA 91 4.424 2.898 -10.531 736 H VAL 92 H VAL 92 4.231 2.754 -7.685 737 HA VAL 92 HA VAL 92 1.698 1.684 -7.037 738 HB VAL 92 HB VAL 92 4.222 2.002 -5.384 739 1HG1 VAL 92 1HG1 VAL 92 2.979 1.751 -3.519 740 2HG1 VAL 92 2HG1 VAL 92 2.582 0.132 -4.099 741 3HG1 VAL 92 3HG1 VAL 92 1.512 1.486 -4.459 742 1HG2 VAL 92 1HG2 VAL 92 2.954 -0.113 -7.031 743 2HG2 VAL 92 2HG2 VAL 92 3.664 -0.647 -5.503 744 3HG2 VAL 92 3HG2 VAL 92 4.661 0.187 -6.698 745 H LYS 93 H LYS 93 3.552 4.109 -5.229 746 HA LYS 93 HA LYS 93 1.468 4.981 -3.581 747 1HB LYS 93 2HB LYS 93 3.539 5.798 -2.938 748 2HB LYS 93 1HB LYS 93 4.036 6.136 -4.596 749 1HG LYS 93 2HG LYS 93 2.469 8.053 -4.668 750 2HG LYS 93 1HG LYS 93 1.995 7.718 -3.001 751 1HD LYS 93 2HD LYS 93 4.002 8.459 -2.130 752 2HD LYS 93 1HD LYS 93 4.911 8.019 -3.576 753 1HE LYS 93 2HE LYS 93 4.875 10.370 -3.668 754 2HE LYS 93 1HE LYS 93 3.547 9.910 -4.734 755 1HZ LYS 93 1HZ LYS 93 2.752 11.533 -3.270 756 2HZ LYS 93 2HZ LYS 93 3.353 10.814 -1.973 757 3HZ LYS 93 3HZ LYS 93 2.118 10.155 -2.753 758 H ASP 94 H ASP 94 2.647 6.271 -6.674 759 HA ASP 94 HA ASP 94 0.969 8.312 -7.239 760 1HB ASP 94 2HB ASP 94 2.756 7.035 -8.704 761 2HB ASP 94 1HB ASP 94 1.328 6.247 -9.371 762 H LEU 95 H LEU 95 -0.021 4.935 -6.949 763 HA LEU 95 HA LEU 95 -2.629 5.620 -8.126 764 1HB LEU 95 2HB LEU 95 -1.866 2.965 -6.901 765 2HB LEU 95 1HB LEU 95 -3.143 3.304 -8.063 766 HG LEU 95 HG LEU 95 -0.236 2.894 -8.513 767 1HD1 LEU 95 1HD1 LEU 95 -1.255 2.185 -10.784 768 2HD1 LEU 95 2HD1 LEU 95 -2.823 2.411 -10.010 769 3HD1 LEU 95 3HD1 LEU 95 -1.690 1.216 -9.376 770 1HD2 LEU 95 1HD2 LEU 95 -0.724 4.238 -10.780 771 2HD2 LEU 95 2HD2 LEU 95 -0.032 5.018 -9.359 772 3HD2 LEU 95 3HD2 LEU 95 -1.755 5.174 -9.697 773 H LEU 96 H LEU 96 -1.192 4.542 -5.033 774 HA LEU 96 HA LEU 96 -3.261 4.285 -3.327 775 1HB LEU 96 2HB LEU 96 -0.843 6.074 -2.952 776 2HB LEU 96 1HB LEU 96 -1.905 5.582 -1.647 777 HG LEU 96 HG LEU 96 0.106 3.980 -3.176 778 1HD1 LEU 96 1HD1 LEU 96 0.966 4.057 -1.107 779 2HD1 LEU 96 2HD1 LEU 96 -0.333 2.972 -0.598 780 3HD1 LEU 96 3HD1 LEU 96 -0.528 4.718 -0.441 781 1HD2 LEU 96 1HD2 LEU 96 -1.133 1.894 -2.248 782 2HD2 LEU 96 2HD2 LEU 96 -1.757 2.621 -3.728 783 3HD2 LEU 96 3HD2 LEU 96 -2.556 2.934 -2.187 784 H GLN 97 H GLN 97 -1.872 7.450 -3.961 785 HA GLN 97 HA GLN 97 -4.028 8.958 -2.831 786 1HB GLN 97 2HB GLN 97 -2.244 10.051 -5.001 787 2HB GLN 97 1HB GLN 97 -3.033 10.926 -3.693 788 1HG GLN 97 2HG GLN 97 -1.042 10.728 -2.632 789 2HG GLN 97 1HG GLN 97 -1.567 9.069 -2.316 790 1HE2 GLN 97 1HE2 GLN 97 -1.419 8.453 -5.288 791 2HE2 GLN 97 2HE2 GLN 97 0.235 8.223 -5.568 792 H GLN 98 H GLN 98 -4.196 7.081 -5.493 793 HA GLN 98 HA GLN 98 -5.922 8.894 -7.006 794 1HB GLN 98 2HB GLN 98 -4.113 6.946 -7.797 795 2HB GLN 98 1HB GLN 98 -5.665 6.137 -7.951 796 1HG GLN 98 2HG GLN 98 -5.747 8.881 -8.949 797 2HG GLN 98 1HG GLN 98 -4.562 7.891 -9.801 798 1HE2 GLN 98 1HE2 GLN 98 -5.723 5.399 -9.933 799 2HE2 GLN 98 2HE2 GLN 98 -7.216 5.468 -10.738 800 H LEU 99 H LEU 99 -5.920 5.844 -5.188 801 HA LEU 99 HA LEU 99 -8.777 5.450 -5.577 802 1HB LEU 99 2HB LEU 99 -7.396 4.105 -3.316 803 2HB LEU 99 1HB LEU 99 -8.473 3.424 -4.524 804 HG LEU 99 HG LEU 99 -6.267 4.164 -6.023 805 1HD1 LEU 99 1HD1 LEU 99 -5.483 4.135 -3.320 806 2HD1 LEU 99 2HD1 LEU 99 -4.432 4.170 -4.737 807 3HD1 LEU 99 3HD1 LEU 99 -4.878 2.629 -4.014 808 1HD2 LEU 99 1HD2 LEU 99 -5.789 1.527 -5.258 809 2HD2 LEU 99 2HD2 LEU 99 -6.793 2.045 -6.613 810 3HD2 LEU 99 3HD2 LEU 99 -7.528 1.724 -5.041 811 H LEU 100 H LEU 100 -6.672 6.852 -3.159 812 HA LEU 100 HA LEU 100 -8.097 6.948 -0.891 813 1HB LEU 100 2HB LEU 100 -6.101 8.607 -2.120 814 2HB LEU 100 1HB LEU 100 -7.285 9.641 -1.325 815 HG LEU 100 HG LEU 100 -5.676 7.399 -0.081 816 1HD1 LEU 100 1HD1 LEU 100 -5.500 10.312 -0.221 817 2HD1 LEU 100 2HD1 LEU 100 -4.296 9.146 0.325 818 3HD1 LEU 100 3HD1 LEU 100 -5.531 9.727 1.441 819 1HD2 LEU 100 1HD2 LEU 100 -7.133 7.278 1.655 820 2HD2 LEU 100 2HD2 LEU 100 -8.300 8.023 0.565 821 3HD2 LEU 100 3HD2 LEU 100 -7.372 9.022 1.680 822 HA PRO 101 HA PRO 101 -10.728 10.521 -2.857 823 1HB PRO 101 2HB PRO 101 -10.538 9.585 -5.668 824 2HB PRO 101 1HB PRO 101 -10.567 11.241 -5.044 825 1HG PRO 101 2HG PRO 101 -8.307 9.961 -5.955 826 2HG PRO 101 1HG PRO 101 -8.280 11.288 -4.781 827 1HD PRO 101 2HD PRO 101 -7.677 8.476 -4.357 828 2HD PRO 101 1HD PRO 101 -7.440 9.841 -3.255 829 H LYS 102 H LYS 102 -10.803 7.186 -3.145 830 HA LYS 102 HA LYS 102 -13.471 6.990 -4.302 831 1HB LYS 102 2HB LYS 102 -11.867 5.287 -4.892 832 2HB LYS 102 1HB LYS 102 -11.493 5.003 -3.190 833 1HG LYS 102 2HG LYS 102 -13.308 3.705 -2.858 834 2HG LYS 102 1HG LYS 102 -14.343 4.705 -3.884 835 1HD LYS 102 2HD LYS 102 -12.258 3.348 -5.414 836 2HD LYS 102 1HD LYS 102 -13.294 2.210 -4.553 837 1HE LYS 102 2HE LYS 102 -15.276 3.537 -5.482 838 2HE LYS 102 1HE LYS 102 -14.116 4.322 -6.553 839 1HZ LYS 102 1HZ LYS 102 -14.378 1.429 -6.376 840 2HZ LYS 102 2HZ LYS 102 -13.600 2.268 -7.494 841 3HZ LYS 102 3HZ LYS 102 -15.198 2.299 -7.440 842 H PHE 103 H PHE 103 -11.905 6.310 -1.176 843 HA PHE 103 HA PHE 103 -14.558 5.825 -0.031 844 1HB PHE 103 2HB PHE 103 -12.802 5.311 2.020 845 2HB PHE 103 1HB PHE 103 -13.342 4.108 0.850 846 HD1 PHE 103 HD1 PHE 103 -12.021 3.735 -1.240 847 HD2 PHE 103 HD2 PHE 103 -10.533 6.071 2.040 848 HE1 PHE 103 HE1 PHE 103 -9.750 3.595 -2.185 849 HE2 PHE 103 HE2 PHE 103 -8.241 5.920 1.104 850 HZ PHE 103 HZ PHE 103 -7.846 4.690 -1.014 851 H LYS 104 H LYS 104 -12.507 8.394 -0.420 852 HA LYS 104 HA LYS 104 -13.086 9.571 2.204 853 1HB LYS 104 2HB LYS 104 -11.137 10.005 0.079 854 2HB LYS 104 1HB LYS 104 -11.879 11.506 0.631 855 1HG LYS 104 2HG LYS 104 -10.899 11.384 2.679 856 2HG LYS 104 1HG LYS 104 -11.117 9.634 2.784 857 1HD LYS 104 2HD LYS 104 -8.778 9.903 2.585 858 2HD LYS 104 1HD LYS 104 -9.308 9.497 0.955 859 1HE LYS 104 2HE LYS 104 -8.138 11.360 0.370 860 2HE LYS 104 1HE LYS 104 -9.601 12.193 0.896 861 1HZ LYS 104 1HZ LYS 104 -7.823 11.592 3.005 862 2HZ LYS 104 2HZ LYS 104 -8.538 12.978 2.649 863 3HZ LYS 104 3HZ LYS 104 -7.170 12.574 1.922 864 H ARG 105 H ARG 105 -15.168 8.994 0.226 865 HA ARG 105 HA ARG 105 -16.008 11.325 -1.110 866 1HB ARG 105 2HB ARG 105 -17.774 9.162 0.065 867 2HB ARG 105 1HB ARG 105 -18.163 10.237 -1.279 868 1HG ARG 105 2HG ARG 105 -15.657 8.887 -1.783 869 2HG ARG 105 1HG ARG 105 -16.922 7.708 -1.432 870 1HD ARG 105 2HD ARG 105 -17.992 9.769 -3.133 871 2HD ARG 105 1HD ARG 105 -16.514 9.127 -3.852 872 HE ARG 105 HE ARG 105 -17.880 6.892 -3.084 873 1HH1 ARG 105 1HH2 ARG 105 -18.585 9.735 -4.919 874 2HH1 ARG 105 2HH2 ARG 105 -19.715 8.937 -5.960 875 1HH2 ARG 105 1HH1 ARG 105 -19.352 5.845 -4.437 876 2HH2 ARG 105 2HH1 ARG 105 -20.149 6.739 -5.688 877 H LYS 106 H LYS 106 -18.707 10.770 0.700 878 HA LYS 106 HA LYS 106 -17.933 12.627 2.841 879 1HB LYS 106 2HB LYS 106 -20.278 13.726 2.265 880 2HB LYS 106 1HB LYS 106 -18.813 14.245 1.432 881 1HG LYS 106 2HG LYS 106 -20.226 11.919 0.245 882 2HG LYS 106 1HG LYS 106 -21.054 13.473 0.123 883 1HD LYS 106 2HD LYS 106 -18.283 13.882 -0.474 884 2HD LYS 106 1HD LYS 106 -18.866 12.528 -1.442 885 1HE LYS 106 2HE LYS 106 -20.390 15.129 -1.226 886 2HE LYS 106 1HE LYS 106 -19.169 14.853 -2.467 887 1HZ LYS 106 1HZ LYS 106 -20.692 12.673 -2.588 888 2HZ LYS 106 2HZ LYS 106 -20.835 13.934 -3.562 889 3HZ LYS 106 3HZ LYS 106 -21.784 13.802 -2.281 890 H ALA 107 H ALA 107 -20.397 10.483 1.438 891 HA ALA 107 HA ALA 107 -21.783 10.271 3.978 892 1HB ALA 107 1HB ALA 107 -22.736 10.052 1.533 893 2HB ALA 107 2HB ALA 107 -23.374 9.023 2.815 894 3HB ALA 107 3HB ALA 107 -22.187 8.383 1.679 895 H ASN 108 H ASN 108 -19.731 8.175 1.941 896 HA ASN 108 HA ASN 108 -19.409 6.429 4.310 897 1HB ASN 108 2HB ASN 108 -20.121 5.810 1.642 898 2HB ASN 108 1HB ASN 108 -18.467 5.237 1.860 899 1HD2 ASN 108 1HD2 ASN 108 -18.180 3.328 3.067 900 2HD2 ASN 108 2HD2 ASN 108 -19.420 2.549 3.927 Start of MODEL 4 1 1H MET 1 1H MET 1 -16.170 -6.811 -10.770 2 2H MET 1 2H MET 1 -17.671 -7.363 -10.765 3 3H MET 1 3H MET 1 -17.304 -6.056 -11.611 4 HA MET 1 HA MET 1 -17.221 -7.422 -13.347 5 1HB MET 1 2HB MET 1 -14.636 -8.304 -12.051 6 2HB MET 1 1HB MET 1 -14.980 -8.115 -13.771 7 1HG MET 1 2HG MET 1 -14.857 -5.877 -11.727 8 2HG MET 1 1HG MET 1 -13.647 -6.217 -12.964 9 1HE MET 1 1HE MET 1 -13.879 -3.644 -13.963 10 2HE MET 1 2HE MET 1 -14.529 -3.946 -15.573 11 3HE MET 1 3HE MET 1 -13.432 -5.114 -14.840 12 H ALA 2 H ALA 2 -15.759 -9.938 -13.505 13 HA ALA 2 HA ALA 2 -17.290 -11.655 -11.664 14 1HB ALA 2 1HB ALA 2 -18.588 -11.419 -13.780 15 2HB ALA 2 2HB ALA 2 -18.027 -13.069 -13.513 16 3HB ALA 2 3HB ALA 2 -17.195 -12.032 -14.671 17 H THR 3 H THR 3 -15.408 -12.367 -10.624 18 HA THR 3 HA THR 3 -13.612 -13.977 -12.323 19 HB THR 3 HB THR 3 -11.823 -13.122 -10.550 20 HG1 THR 3 HG1 THR 3 -12.296 -10.833 -10.245 21 1HG2 THR 3 1HG2 THR 3 -12.650 -12.307 -13.210 22 2HG2 THR 3 2HG2 THR 3 -11.022 -12.487 -12.555 23 3HG2 THR 3 3HG2 THR 3 -11.895 -10.970 -12.342 24 H SER 4 H SER 4 -13.323 -13.229 -8.876 25 HA SER 4 HA SER 4 -14.314 -15.941 -8.270 26 1HB SER 4 2HB SER 4 -11.754 -15.802 -8.433 27 2HB SER 4 1HB SER 4 -11.829 -14.794 -6.991 28 HG SER 4 HG SER 4 -11.964 -17.450 -7.190 29 H SER 5 H SER 5 -12.790 -13.320 -6.368 30 HA SER 5 HA SER 5 -15.375 -12.872 -5.054 31 1HB SER 5 2HB SER 5 -12.888 -13.937 -3.753 32 2HB SER 5 1HB SER 5 -13.975 -12.899 -2.835 33 HG SER 5 HG SER 5 -14.246 -15.494 -3.539 34 H GLU 6 H GLU 6 -12.429 -11.810 -3.543 35 HA GLU 6 HA GLU 6 -13.188 -9.085 -3.861 36 1HB GLU 6 2HB GLU 6 -10.693 -8.752 -3.093 37 2HB GLU 6 1HB GLU 6 -11.904 -9.346 -1.967 38 1HG GLU 6 2HG GLU 6 -10.590 -11.446 -3.570 39 2HG GLU 6 1HG GLU 6 -9.518 -10.587 -2.465 40 H GLU 7 H GLU 7 -11.782 -7.445 -4.840 41 HA GLU 7 HA GLU 7 -10.510 -8.462 -7.323 42 1HB GLU 7 2HB GLU 7 -11.975 -5.830 -6.972 43 2HB GLU 7 1HB GLU 7 -11.295 -6.467 -8.469 44 1HG GLU 7 2HG GLU 7 -13.055 -8.421 -7.270 45 2HG GLU 7 1HG GLU 7 -13.900 -6.887 -7.474 46 H VAL 8 H VAL 8 -8.242 -8.137 -6.995 47 HA VAL 8 HA VAL 8 -7.553 -5.809 -5.359 48 HB VAL 8 HB VAL 8 -6.166 -7.381 -4.478 49 1HG1 VAL 8 1HG1 VAL 8 -7.332 -9.218 -5.602 50 2HG1 VAL 8 2HG1 VAL 8 -5.593 -9.510 -5.594 51 3HG1 VAL 8 3HG1 VAL 8 -6.385 -8.944 -7.064 52 1HG2 VAL 8 1HG2 VAL 8 -4.567 -7.405 -7.031 53 2HG2 VAL 8 2HG2 VAL 8 -3.993 -7.400 -5.364 54 3HG2 VAL 8 3HG2 VAL 8 -4.675 -5.935 -6.064 55 H LEU 9 H LEU 9 -6.001 -4.327 -6.097 56 HA LEU 9 HA LEU 9 -6.138 -3.992 -9.008 57 1HB LEU 9 2HB LEU 9 -7.020 -2.126 -7.889 58 2HB LEU 9 1HB LEU 9 -5.681 -2.063 -6.750 59 HG LEU 9 HG LEU 9 -4.148 -1.400 -8.507 60 1HD1 LEU 9 1HD1 LEU 9 -6.470 -1.404 -10.441 61 2HD1 LEU 9 2HD1 LEU 9 -5.415 -2.805 -10.256 62 3HD1 LEU 9 3HD1 LEU 9 -4.749 -1.267 -10.803 63 1HD2 LEU 9 1HD2 LEU 9 -5.752 0.615 -9.420 64 2HD2 LEU 9 2HD2 LEU 9 -4.991 0.612 -7.829 65 3HD2 LEU 9 3HD2 LEU 9 -6.662 0.079 -8.007 66 H LEU 10 H LEU 10 -3.535 -4.340 -6.486 67 HA LEU 10 HA LEU 10 -1.719 -4.987 -8.588 68 1HB LEU 10 2HB LEU 10 -1.827 -2.618 -9.103 69 2HB LEU 10 1HB LEU 10 -1.487 -2.204 -7.422 70 HG LEU 10 HG LEU 10 0.687 -3.488 -7.655 71 1HD1 LEU 10 1HD1 LEU 10 0.946 -3.214 -10.486 72 2HD1 LEU 10 2HD1 LEU 10 -0.519 -4.143 -10.164 73 3HD1 LEU 10 3HD1 LEU 10 1.031 -4.689 -9.524 74 1HD2 LEU 10 1HD2 LEU 10 0.363 -0.950 -7.903 75 2HD2 LEU 10 2HD2 LEU 10 0.468 -1.221 -9.643 76 3HD2 LEU 10 3HD2 LEU 10 1.833 -1.629 -8.602 77 H ILE 11 H ILE 11 0.355 -5.599 -7.812 78 HA ILE 11 HA ILE 11 0.763 -5.403 -4.901 79 HB ILE 11 HB ILE 11 -0.233 -7.523 -5.045 80 1HG1 ILE 11 2HG1 ILE 11 2.257 -7.277 -4.094 81 2HG1 ILE 11 1HG1 ILE 11 1.407 -8.810 -4.080 82 1HG2 ILE 11 1HG2 ILE 11 -0.344 -7.873 -7.400 83 2HG2 ILE 11 2HG2 ILE 11 0.586 -9.224 -6.752 84 3HG2 ILE 11 3HG2 ILE 11 1.414 -7.884 -7.546 85 1HD1 ILE 11 1HD1 ILE 11 3.414 -7.883 -6.155 86 2HD1 ILE 11 2HD1 ILE 11 2.473 -9.368 -6.282 87 3HD1 ILE 11 3HD1 ILE 11 3.637 -9.171 -4.973 88 H VAL 12 H VAL 12 2.898 -5.438 -4.269 89 HA VAL 12 HA VAL 12 4.904 -5.662 -6.425 90 HB VAL 12 HB VAL 12 4.249 -3.315 -5.107 91 1HG1 VAL 12 1HG1 VAL 12 6.303 -2.851 -3.762 92 2HG1 VAL 12 2HG1 VAL 12 6.666 -4.570 -3.805 93 3HG1 VAL 12 3HG1 VAL 12 5.196 -3.996 -3.016 94 1HG2 VAL 12 1HG2 VAL 12 6.506 -2.556 -6.017 95 2HG2 VAL 12 2HG2 VAL 12 5.434 -3.335 -7.181 96 3HG2 VAL 12 3HG2 VAL 12 6.779 -4.236 -6.481 97 H LYS 13 H LYS 13 6.593 -7.018 -5.898 98 HA LYS 13 HA LYS 13 6.232 -8.847 -3.840 99 1HB LYS 13 2HB LYS 13 7.514 -9.331 -5.866 100 2HB LYS 13 1HB LYS 13 8.772 -8.217 -5.329 101 1HG LYS 13 2HG LYS 13 9.258 -9.588 -3.400 102 2HG LYS 13 1HG LYS 13 7.871 -10.627 -3.729 103 1HD LYS 13 2HD LYS 13 10.098 -10.266 -5.738 104 2HD LYS 13 1HD LYS 13 10.171 -11.500 -4.480 105 1HE LYS 13 2HE LYS 13 8.883 -12.840 -5.744 106 2HE LYS 13 1HE LYS 13 7.583 -11.652 -5.648 107 1HZ LYS 13 1HZ LYS 13 9.090 -10.563 -7.465 108 2HZ LYS 13 2HZ LYS 13 7.948 -11.619 -7.840 109 3HZ LYS 13 3HZ LYS 13 9.475 -12.090 -7.750 110 H LYS 14 H LYS 14 9.376 -7.114 -3.664 111 HA LYS 14 HA LYS 14 8.841 -7.383 -0.819 112 1HB LYS 14 2HB LYS 14 11.144 -7.644 -2.570 113 2HB LYS 14 1HB LYS 14 11.500 -6.737 -1.101 114 1HG LYS 14 2HG LYS 14 10.227 -9.485 -1.250 115 2HG LYS 14 1HG LYS 14 11.852 -9.112 -0.674 116 1HD LYS 14 2HD LYS 14 10.104 -7.429 0.775 117 2HD LYS 14 1HD LYS 14 9.362 -9.030 0.780 118 1HE LYS 14 2HE LYS 14 12.277 -8.562 1.451 119 2HE LYS 14 1HE LYS 14 11.004 -8.604 2.671 120 1HZ LYS 14 1HZ LYS 14 11.361 -10.769 2.625 121 2HZ LYS 14 2HZ LYS 14 12.171 -10.744 1.246 122 3HZ LYS 14 3HZ LYS 14 10.572 -10.803 1.231 123 H VAL 15 H VAL 15 7.895 -5.514 -0.013 124 HA VAL 15 HA VAL 15 9.136 -2.957 -0.592 125 HB VAL 15 HB VAL 15 6.599 -3.679 0.917 126 1HG1 VAL 15 1HG1 VAL 15 7.309 -1.448 1.492 127 2HG1 VAL 15 2HG1 VAL 15 5.972 -1.306 0.355 128 3HG1 VAL 15 3HG1 VAL 15 7.627 -1.061 -0.200 129 1HG2 VAL 15 1HG2 VAL 15 6.161 -4.404 -1.254 130 2HG2 VAL 15 2HG2 VAL 15 7.131 -3.120 -1.977 131 3HG2 VAL 15 3HG2 VAL 15 5.565 -2.745 -1.259 132 H ARG 16 H ARG 16 9.267 -1.471 1.411 133 HA ARG 16 HA ARG 16 10.270 -3.008 3.712 134 1HB ARG 16 2HB ARG 16 12.093 -1.779 2.579 135 2HB ARG 16 1HB ARG 16 11.082 -0.361 2.446 136 1HG ARG 16 2HG ARG 16 12.422 0.130 4.297 137 2HG ARG 16 1HG ARG 16 10.930 -0.448 5.019 138 1HD ARG 16 2HD ARG 16 13.481 -1.362 5.587 139 2HD ARG 16 1HD ARG 16 11.982 -2.197 5.999 140 HE ARG 16 HE ARG 16 12.417 -3.157 3.536 141 1HH1 ARG 16 1HH2 ARG 16 14.380 -2.718 6.362 142 2HH1 ARG 16 2HH2 ARG 16 15.458 -4.010 5.963 143 1HH2 ARG 16 1HH1 ARG 16 13.850 -4.838 3.018 144 2HH2 ARG 16 2HH1 ARG 16 15.158 -5.205 4.089 145 H GLN 17 H GLN 17 9.455 -2.249 5.660 146 HA GLN 17 HA GLN 17 7.960 0.242 5.574 147 1HB GLN 17 2HB GLN 17 5.994 -0.800 6.701 148 2HB GLN 17 1HB GLN 17 6.236 -1.397 5.069 149 1HG GLN 17 2HG GLN 17 6.978 -3.470 5.774 150 2HG GLN 17 1HG GLN 17 7.470 -2.863 7.350 151 1HE2 GLN 17 1HE2 GLN 17 5.193 -1.571 8.272 152 2HE2 GLN 17 2HE2 GLN 17 3.900 -2.664 8.390 153 H LYS 18 H LYS 18 7.922 1.211 7.534 154 HA LYS 18 HA LYS 18 10.044 1.267 9.100 155 1HB LYS 18 2HB LYS 18 7.251 1.931 9.607 156 2HB LYS 18 1HB LYS 18 8.136 1.568 11.088 157 1HG LYS 18 2HG LYS 18 8.618 3.828 10.843 158 2HG LYS 18 1HG LYS 18 9.984 3.106 9.991 159 1HD LYS 18 2HD LYS 18 8.445 3.240 7.892 160 2HD LYS 18 1HD LYS 18 7.523 4.405 8.842 161 1HE LYS 18 2HE LYS 18 10.395 4.586 7.935 162 2HE LYS 18 1HE LYS 18 9.084 5.734 7.659 163 1HZ LYS 18 1HZ LYS 18 10.451 6.540 9.380 164 2HZ LYS 18 2HZ LYS 18 10.391 5.168 10.202 165 3HZ LYS 18 3HZ LYS 18 9.081 6.076 10.066 166 H LYS 19 H LYS 19 7.871 -1.488 9.230 167 HA LYS 19 HA LYS 19 9.203 -2.377 11.692 168 1HB LYS 19 2HB LYS 19 7.453 -4.087 11.779 169 2HB LYS 19 1HB LYS 19 6.711 -2.504 11.557 170 1HG LYS 19 2HG LYS 19 6.705 -2.998 9.041 171 2HG LYS 19 1HG LYS 19 7.140 -4.657 9.448 172 1HD LYS 19 2HD LYS 19 4.620 -3.167 10.192 173 2HD LYS 19 1HD LYS 19 4.776 -4.627 9.206 174 1HE LYS 19 2HE LYS 19 4.254 -5.668 11.180 175 2HE LYS 19 1HE LYS 19 5.979 -5.470 11.486 176 1HZ LYS 19 1HZ LYS 19 3.770 -3.964 12.559 177 2HZ LYS 19 2HZ LYS 19 5.168 -3.209 12.369 178 3HZ LYS 19 3HZ LYS 19 5.080 -4.505 13.303 179 H GLN 20 H GLN 20 8.378 -3.638 8.508 180 HA GLN 20 HA GLN 20 10.806 -5.235 8.392 181 1HB GLN 20 2HB GLN 20 8.216 -6.254 9.118 182 2HB GLN 20 1HB GLN 20 8.727 -6.952 7.579 183 1HG GLN 20 2HG GLN 20 10.998 -6.868 9.299 184 2HG GLN 20 1HG GLN 20 9.663 -7.594 10.198 185 1HE2 GLN 20 1HE2 GLN 20 8.288 -9.123 8.463 186 2HE2 GLN 20 2HE2 GLN 20 9.279 -10.244 7.662 187 H ASP 21 H ASP 21 10.908 -6.423 6.240 188 HA ASP 21 HA ASP 21 9.721 -4.702 4.155 189 1HB ASP 21 2HB ASP 21 12.371 -5.342 4.380 190 2HB ASP 21 1HB ASP 21 11.805 -6.776 3.542 191 H GLY 22 H GLY 22 8.288 -5.785 2.857 192 1HA GLY 22 2HA GLY 22 7.985 -8.641 2.913 193 2HA GLY 22 1HA GLY 22 6.740 -7.783 3.811 194 H ALA 23 H ALA 23 6.011 -9.155 1.387 195 HA ALA 23 HA ALA 23 6.039 -7.198 -0.712 196 1HB ALA 23 1HB ALA 23 4.624 -8.849 -1.875 197 2HB ALA 23 2HB ALA 23 4.465 -9.772 -0.381 198 3HB ALA 23 3HB ALA 23 6.037 -9.635 -1.169 199 H LEU 24 H LEU 24 4.480 -5.941 -1.315 200 HA LEU 24 HA LEU 24 2.290 -5.561 0.626 201 1HB LEU 24 2HB LEU 24 4.222 -3.844 -0.614 202 2HB LEU 24 1HB LEU 24 2.637 -3.372 -1.220 203 HG LEU 24 HG LEU 24 3.623 -3.478 1.617 204 1HD1 LEU 24 1HD1 LEU 24 3.978 -1.327 0.877 205 2HD1 LEU 24 2HD1 LEU 24 2.260 -1.147 1.236 206 3HD1 LEU 24 3HD1 LEU 24 2.787 -1.468 -0.412 207 1HD2 LEU 24 1HD2 LEU 24 1.147 -2.729 2.058 208 2HD2 LEU 24 2HD2 LEU 24 1.505 -4.450 1.915 209 3HD2 LEU 24 3HD2 LEU 24 0.805 -3.578 0.550 210 H TYR 25 H TYR 25 0.282 -6.025 -0.077 211 HA TYR 25 HA TYR 25 -0.191 -6.287 -2.987 212 1HB TYR 25 2HB TYR 25 -1.138 -7.753 -0.557 213 2HB TYR 25 1HB TYR 25 -2.306 -7.513 -1.852 214 HD1 TYR 25 HD1 TYR 25 -1.985 -8.538 -4.049 215 HD2 TYR 25 HD2 TYR 25 0.835 -9.148 -0.869 216 HE1 TYR 25 HE1 TYR 25 -1.001 -10.452 -5.287 217 HE2 TYR 25 HE2 TYR 25 1.822 -11.054 -2.107 218 HH TYR 25 HH TYR 25 1.273 -11.634 -5.338 219 H LEU 26 H LEU 26 -1.867 -4.857 -3.805 220 HA LEU 26 HA LEU 26 -3.242 -3.355 -1.685 221 1HB LEU 26 2HB LEU 26 -2.185 -1.587 -2.656 222 2HB LEU 26 1HB LEU 26 -1.720 -2.531 -4.065 223 HG LEU 26 HG LEU 26 -4.582 -1.679 -3.746 224 1HD1 LEU 26 1HD1 LEU 26 -3.086 0.328 -3.398 225 2HD1 LEU 26 2HD1 LEU 26 -4.110 0.433 -4.830 226 3HD1 LEU 26 3HD1 LEU 26 -2.403 0.020 -4.995 227 1HD2 LEU 26 1HD2 LEU 26 -4.463 -2.949 -5.648 228 2HD2 LEU 26 2HD2 LEU 26 -2.734 -2.664 -5.850 229 3HD2 LEU 26 3HD2 LEU 26 -3.896 -1.439 -6.359 230 H MET 27 H MET 27 -5.506 -3.265 -1.938 231 HA MET 27 HA MET 27 -6.624 -4.469 -4.364 232 1HB MET 27 2HB MET 27 -6.493 -6.300 -2.744 233 2HB MET 27 1HB MET 27 -7.256 -5.293 -1.513 234 1HG MET 27 2HG MET 27 -9.290 -5.839 -2.273 235 2HG MET 27 1HG MET 27 -8.873 -5.286 -3.891 236 1HE MET 27 1HE MET 27 -7.165 -7.675 -1.660 237 2HE MET 27 2HE MET 27 -7.366 -9.291 -2.332 238 3HE MET 27 3HE MET 27 -8.685 -8.550 -1.429 239 H ALA 28 H ALA 28 -8.692 -3.595 -4.829 240 HA ALA 28 HA ALA 28 -9.242 -1.008 -4.366 241 1HB ALA 28 1HB ALA 28 -11.767 -1.839 -4.377 242 2HB ALA 28 2HB ALA 28 -11.014 -3.391 -4.760 243 3HB ALA 28 3HB ALA 28 -10.755 -1.996 -5.814 244 H GLU 29 H GLU 29 -10.751 -3.538 -2.376 245 HA GLU 29 HA GLU 29 -11.526 -1.534 -0.473 246 1HB GLU 29 2HB GLU 29 -13.045 -3.338 -0.924 247 2HB GLU 29 1HB GLU 29 -11.832 -4.528 -0.461 248 1HG GLU 29 2HG GLU 29 -12.208 -4.235 1.760 249 2HG GLU 29 1HG GLU 29 -12.364 -2.486 1.597 250 H ARG 30 H ARG 30 -8.589 -3.453 -0.604 251 HA ARG 30 HA ARG 30 -7.958 -2.314 1.967 252 1HB ARG 30 2HB ARG 30 -7.786 -4.269 3.258 253 2HB ARG 30 1HB ARG 30 -9.338 -4.413 2.457 254 1HG ARG 30 2HG ARG 30 -7.281 -5.531 0.788 255 2HG ARG 30 1HG ARG 30 -7.172 -6.217 2.409 256 1HD ARG 30 2HD ARG 30 -8.729 -7.611 1.280 257 2HD ARG 30 1HD ARG 30 -9.724 -6.531 2.252 258 HE ARG 30 HE ARG 30 -9.426 -5.251 -0.185 259 1HH1 ARG 30 1HH2 ARG 30 -10.477 -8.344 0.954 260 2HH1 ARG 30 2HH2 ARG 30 -11.657 -8.550 -0.295 261 1HH2 ARG 30 1HH1 ARG 30 -11.000 -5.508 -1.811 262 2HH2 ARG 30 2HH1 ARG 30 -11.946 -6.957 -1.858 263 H ILE 31 H ILE 31 -5.823 -2.920 2.723 264 HA ILE 31 HA ILE 31 -4.046 -3.563 0.444 265 HB ILE 31 HB ILE 31 -3.962 -1.474 2.527 266 1HG1 ILE 31 2HG1 ILE 31 -2.682 -2.019 -0.160 267 2HG1 ILE 31 1HG1 ILE 31 -3.979 -0.889 0.216 268 1HG2 ILE 31 1HG2 ILE 31 -1.365 -2.902 1.849 269 2HG2 ILE 31 2HG2 ILE 31 -2.213 -3.123 3.378 270 3HG2 ILE 31 3HG2 ILE 31 -1.582 -1.536 2.943 271 1HD1 ILE 31 1HD1 ILE 31 -2.418 0.438 1.601 272 2HD1 ILE 31 2HD1 ILE 31 -1.840 0.303 -0.061 273 3HD1 ILE 31 3HD1 ILE 31 -1.123 -0.693 1.206 274 H ALA 32 H ALA 32 -2.865 -5.406 0.650 275 HA ALA 32 HA ALA 32 -2.869 -6.703 3.312 276 1HB ALA 32 1HB ALA 32 -3.686 -8.498 2.240 277 2HB ALA 32 2HB ALA 32 -2.196 -8.569 1.300 278 3HB ALA 32 3HB ALA 32 -3.577 -7.655 0.694 279 H TRP 33 H TRP 33 -0.947 -7.607 4.079 280 HA TRP 33 HA TRP 33 1.451 -7.011 2.471 281 1HB TRP 33 2HB TRP 33 1.175 -5.308 4.230 282 2HB TRP 33 1HB TRP 33 1.076 -6.582 5.438 283 HD1 TRP 33 HD1 TRP 33 3.484 -5.904 2.506 284 HE1 TRP 33 HE1 TRP 33 5.870 -6.081 3.432 285 HE3 TRP 33 HE3 TRP 33 2.602 -7.064 7.403 286 HZ2 TRP 33 HZ2 TRP 33 7.251 -6.645 5.745 287 HZ3 TRP 33 HZ3 TRP 33 4.504 -7.467 8.923 288 HH2 TRP 33 HH2 TRP 33 6.844 -7.271 8.092 289 H ALA 34 H ALA 34 2.941 -8.680 2.536 290 HA ALA 34 HA ALA 34 2.707 -10.724 4.580 291 1HB ALA 34 1HB ALA 34 1.412 -11.057 2.108 292 2HB ALA 34 2HB ALA 34 1.672 -12.274 3.358 293 3HB ALA 34 3HB ALA 34 2.847 -12.081 2.056 294 HA PRO 35 HA PRO 35 6.912 -10.976 3.244 295 1HB PRO 35 2HB PRO 35 7.665 -12.629 5.459 296 2HB PRO 35 1HB PRO 35 7.843 -10.875 5.313 297 1HG PRO 35 2HG PRO 35 5.991 -12.330 6.973 298 2HG PRO 35 1HG PRO 35 6.190 -10.578 6.840 299 1HD PRO 35 2HD PRO 35 4.036 -12.193 5.818 300 2HD PRO 35 1HD PRO 35 4.236 -10.436 5.696 301 H GLU 36 H GLU 36 8.675 -13.076 3.558 302 HA GLU 36 HA GLU 36 7.596 -15.000 1.696 303 1HB GLU 36 2HB GLU 36 9.900 -16.051 2.019 304 2HB GLU 36 1HB GLU 36 9.888 -14.404 1.388 305 1HG GLU 36 2HG GLU 36 10.601 -13.479 3.413 306 2HG GLU 36 1HG GLU 36 10.037 -14.860 4.355 307 H GLY 37 H GLY 37 6.018 -16.249 2.735 308 1HA GLY 37 2HA GLY 37 7.031 -18.271 4.542 309 2HA GLY 37 1HA GLY 37 5.858 -17.178 5.279 310 H LYS 38 H LYS 38 5.293 -19.923 4.967 311 HA LYS 38 HA LYS 38 3.994 -20.763 2.695 312 1HB LYS 38 2HB LYS 38 4.248 -22.065 4.839 313 2HB LYS 38 1HB LYS 38 2.914 -21.122 5.502 314 1HG LYS 38 2HG LYS 38 1.683 -21.879 3.292 315 2HG LYS 38 1HG LYS 38 2.878 -23.177 3.318 316 1HD LYS 38 2HD LYS 38 1.089 -22.466 5.660 317 2HD LYS 38 1HD LYS 38 0.753 -23.765 4.515 318 1HE LYS 38 2HE LYS 38 3.156 -24.586 5.105 319 2HE LYS 38 1HE LYS 38 2.982 -23.559 6.527 320 1HZ LYS 38 1HZ LYS 38 0.893 -25.439 5.848 321 2HZ LYS 38 2HZ LYS 38 1.267 -24.831 7.280 322 3HZ LYS 38 3HZ LYS 38 2.193 -25.960 6.625 323 H ASP 39 H ASP 39 2.767 -18.545 5.172 324 HA ASP 39 HA ASP 39 0.213 -18.293 3.926 325 1HB ASP 39 2HB ASP 39 -0.127 -16.470 5.489 326 2HB ASP 39 1HB ASP 39 0.685 -17.777 6.351 327 H ARG 40 H ARG 40 -0.432 -16.531 2.627 328 HA ARG 40 HA ARG 40 1.791 -15.230 1.218 329 1HB ARG 40 2HB ARG 40 -1.024 -15.945 0.493 330 2HB ARG 40 1HB ARG 40 -0.220 -14.626 -0.341 331 1HG ARG 40 2HG ARG 40 0.543 -16.290 -1.711 332 2HG ARG 40 1HG ARG 40 1.737 -16.512 -0.433 333 1HD ARG 40 2HD ARG 40 0.896 -18.528 0.103 334 2HD ARG 40 1HD ARG 40 -0.742 -17.888 0.209 335 HE ARG 40 HE ARG 40 0.244 -19.490 -1.860 336 1HH1 ARG 40 1HH2 ARG 40 -1.434 -16.483 -1.453 337 2HH1 ARG 40 2HH2 ARG 40 -1.993 -16.443 -3.088 338 1HH2 ARG 40 1HH1 ARG 40 -0.511 -19.442 -3.970 339 2HH2 ARG 40 2HH1 ARG 40 -1.485 -18.113 -4.504 340 H PHE 41 H PHE 41 -0.339 -14.639 3.633 341 HA PHE 41 HA PHE 41 -0.122 -11.745 3.194 342 1HB PHE 41 2HB PHE 41 -2.659 -13.301 3.682 343 2HB PHE 41 1HB PHE 41 -2.530 -11.574 4.034 344 HD1 PHE 41 HD1 PHE 41 -3.381 -13.904 1.553 345 HD2 PHE 41 HD2 PHE 41 -1.334 -10.169 2.121 346 HE1 PHE 41 HE1 PHE 41 -3.659 -13.397 -0.857 347 HE2 PHE 41 HE2 PHE 41 -1.615 -9.660 -0.303 348 HZ PHE 41 HZ PHE 41 -2.773 -11.280 -1.783 349 H THR 42 H THR 42 0.504 -10.720 4.996 350 HA THR 42 HA THR 42 0.346 -12.217 7.527 351 HB THR 42 HB THR 42 2.563 -11.180 6.374 352 HG1 THR 42 HG1 THR 42 3.053 -12.193 8.134 353 1HG2 THR 42 1HG2 THR 42 3.126 -9.104 7.678 354 2HG2 THR 42 2HG2 THR 42 1.415 -8.968 8.055 355 3HG2 THR 42 3HG2 THR 42 1.958 -8.872 6.375 356 H ILE 43 H ILE 43 -0.556 -9.303 5.851 357 HA ILE 43 HA ILE 43 -2.509 -8.770 7.973 358 HB ILE 43 HB ILE 43 -1.260 -7.174 8.967 359 1HG1 ILE 43 2HG1 ILE 43 -2.882 -5.830 7.507 360 2HG1 ILE 43 1HG1 ILE 43 -1.475 -4.962 8.112 361 1HG2 ILE 43 1HG2 ILE 43 0.564 -6.050 7.185 362 2HG2 ILE 43 2HG2 ILE 43 0.522 -7.756 6.760 363 3HG2 ILE 43 3HG2 ILE 43 0.898 -7.267 8.412 364 1HD1 ILE 43 1HD1 ILE 43 -0.869 -6.272 5.591 365 2HD1 ILE 43 2HD1 ILE 43 -0.722 -4.567 6.022 366 3HD1 ILE 43 3HD1 ILE 43 -2.258 -5.198 5.426 367 H SER 44 H SER 44 -4.176 -7.249 7.318 368 HA SER 44 HA SER 44 -4.276 -6.423 4.545 369 1HB SER 44 2HB SER 44 -6.672 -7.699 4.628 370 2HB SER 44 1HB SER 44 -5.225 -8.412 3.920 371 HG SER 44 HG SER 44 -6.005 -8.668 6.640 372 H HIS 45 H HIS 45 -5.006 -4.342 4.883 373 HA HIS 45 HA HIS 45 -6.974 -3.955 7.062 374 1HB HIS 45 2HB HIS 45 -5.955 -1.520 5.931 375 2HB HIS 45 1HB HIS 45 -5.891 -2.063 7.608 376 HD1 HIS 45 HD1 HIS 45 -3.602 -2.711 8.455 377 HD2 HIS 45 HD2 HIS 45 -3.793 -2.608 4.302 378 HE1 HIS 45 HE1 HIS 45 -1.230 -3.052 7.628 379 H MET 46 H MET 46 -8.966 -3.515 6.477 380 HA MET 46 HA MET 46 -9.717 -3.129 3.733 381 1HB MET 46 2HB MET 46 -11.062 -3.628 6.210 382 2HB MET 46 1HB MET 46 -11.781 -2.195 5.477 383 1HG MET 46 2HG MET 46 -12.500 -3.345 3.597 384 2HG MET 46 1HG MET 46 -11.231 -4.563 3.730 385 1HE MET 46 1HE MET 46 -13.342 -5.735 2.881 386 2HE MET 46 2HE MET 46 -14.781 -4.914 3.479 387 3HE MET 46 3HE MET 46 -14.472 -6.585 3.943 388 H TYR 47 H TYR 47 -9.211 -1.281 2.722 389 HA TYR 47 HA TYR 47 -8.281 1.034 3.708 390 1HB TYR 47 2HB TYR 47 -9.896 0.422 1.275 391 2HB TYR 47 1HB TYR 47 -9.665 2.116 1.686 392 HD1 TYR 47 HD1 TYR 47 -6.787 1.406 3.046 393 HD2 TYR 47 HD2 TYR 47 -8.567 0.719 -0.810 394 HE1 TYR 47 HE1 TYR 47 -4.557 1.375 2.011 395 HE2 TYR 47 HE2 TYR 47 -6.335 0.672 -1.822 396 HH TYR 47 HH TYR 47 -4.038 1.668 -1.252 397 H ALA 48 H ALA 48 -11.780 0.255 3.628 398 HA ALA 48 HA ALA 48 -12.575 2.837 4.668 399 1HB ALA 48 1HB ALA 48 -13.964 0.141 4.621 400 2HB ALA 48 2HB ALA 48 -14.226 1.496 3.517 401 3HB ALA 48 3HB ALA 48 -14.720 1.623 5.209 402 H ASP 49 H ASP 49 -11.705 -0.232 5.922 403 HA ASP 49 HA ASP 49 -12.187 0.120 8.703 404 1HB ASP 49 2HB ASP 49 -10.289 -1.688 7.185 405 2HB ASP 49 1HB ASP 49 -10.510 -1.755 8.932 406 H ILE 50 H ILE 50 -10.232 1.822 6.763 407 HA ILE 50 HA ILE 50 -8.510 2.589 9.000 408 HB ILE 50 HB ILE 50 -6.570 2.749 7.340 409 1HG1 ILE 50 2HG1 ILE 50 -8.570 1.094 5.804 410 2HG1 ILE 50 1HG1 ILE 50 -7.651 2.485 5.242 411 1HG2 ILE 50 1HG2 ILE 50 -6.742 1.079 9.141 412 2HG2 ILE 50 2HG2 ILE 50 -5.991 0.385 7.704 413 3HG2 ILE 50 3HG2 ILE 50 -7.679 0.030 8.079 414 1HD1 ILE 50 1HD1 ILE 50 -6.969 -0.187 4.846 415 2HD1 ILE 50 2HD1 ILE 50 -5.905 0.322 6.154 416 3HD1 ILE 50 3HD1 ILE 50 -5.901 1.196 4.629 417 H LYS 51 H LYS 51 -8.307 4.957 9.049 418 HA LYS 51 HA LYS 51 -8.942 6.225 6.468 419 1HB LYS 51 2HB LYS 51 -10.992 6.106 8.025 420 2HB LYS 51 1HB LYS 51 -10.146 7.318 8.990 421 1HG LYS 51 2HG LYS 51 -10.591 7.602 6.011 422 2HG LYS 51 1HG LYS 51 -11.681 8.293 7.218 423 1HD LYS 51 2HD LYS 51 -9.468 9.320 8.205 424 2HD LYS 51 1HD LYS 51 -8.824 9.016 6.591 425 1HE LYS 51 2HE LYS 51 -9.673 11.224 6.474 426 2HE LYS 51 1HE LYS 51 -10.932 10.240 5.729 427 1HZ LYS 51 1HZ LYS 51 -11.152 10.582 8.548 428 2HZ LYS 51 2HZ LYS 51 -12.292 10.641 7.427 429 3HZ LYS 51 3HZ LYS 51 -11.372 11.921 7.699 430 H CYS 52 H CYS 52 -7.097 7.123 6.119 431 HA CYS 52 HA CYS 52 -6.392 9.564 7.110 432 1HB CYS 52 2HB CYS 52 -5.353 7.342 8.673 433 2HB CYS 52 1HB CYS 52 -4.097 8.436 8.109 434 HG CYS 52 HG CYS 52 -6.148 10.219 9.187 435 H GLN 53 H GLN 53 -5.138 10.332 5.394 436 HA GLN 53 HA GLN 53 -3.472 8.296 4.074 437 1HB GLN 53 2HB GLN 53 -5.824 9.716 2.928 438 2HB GLN 53 1HB GLN 53 -4.438 9.435 1.873 439 1HG GLN 53 2HG GLN 53 -5.755 7.271 3.533 440 2HG GLN 53 1HG GLN 53 -6.135 7.574 1.838 441 1HE2 GLN 53 1HE2 GLN 53 -5.227 5.172 1.832 442 2HE2 GLN 53 2HE2 GLN 53 -3.560 5.023 1.547 443 H LYS 54 H LYS 54 -1.552 9.033 3.800 444 HA LYS 54 HA LYS 54 -1.132 11.838 3.010 445 1HB LYS 54 2HB LYS 54 -0.375 12.071 5.190 446 2HB LYS 54 1HB LYS 54 -0.071 10.344 5.372 447 1HG LYS 54 2HG LYS 54 2.023 10.472 4.311 448 2HG LYS 54 1HG LYS 54 1.646 12.016 3.543 449 1HD LYS 54 2HD LYS 54 2.534 13.126 5.286 450 2HD LYS 54 1HD LYS 54 1.413 12.324 6.386 451 1HE LYS 54 2HE LYS 54 2.972 10.817 7.076 452 2HE LYS 54 1HE LYS 54 3.640 10.625 5.456 453 1HZ LYS 54 1HZ LYS 54 4.256 12.668 7.417 454 2HZ LYS 54 2HZ LYS 54 4.544 12.929 5.865 455 3HZ LYS 54 3HZ LYS 54 5.267 11.717 6.619 456 H ILE 55 H ILE 55 -0.307 11.560 0.952 457 HA ILE 55 HA ILE 55 1.845 9.574 0.656 458 HB ILE 55 HB ILE 55 -0.164 9.821 -1.547 459 1HG1 ILE 55 2HG1 ILE 55 -1.438 9.433 0.611 460 2HG1 ILE 55 1HG1 ILE 55 -1.600 8.140 -0.578 461 1HG2 ILE 55 1HG2 ILE 55 1.991 8.014 -0.651 462 2HG2 ILE 55 2HG2 ILE 55 1.408 8.350 -2.281 463 3HG2 ILE 55 3HG2 ILE 55 0.554 7.193 -1.260 464 1HD1 ILE 55 1HD1 ILE 55 -0.605 6.640 0.783 465 2HD1 ILE 55 2HD1 ILE 55 -0.786 7.833 2.069 466 3HD1 ILE 55 3HD1 ILE 55 0.717 7.749 1.149 467 H SER 56 H SER 56 3.444 11.034 0.271 468 HA SER 56 HA SER 56 2.960 12.926 -1.947 469 1HB SER 56 2HB SER 56 4.867 14.231 -0.828 470 2HB SER 56 1HB SER 56 3.304 14.251 -0.016 471 HG SER 56 HG SER 56 4.070 12.954 1.516 472 HA PRO 57 HA PRO 57 6.786 10.435 -2.594 473 1HB PRO 57 2HB PRO 57 5.742 8.255 -4.152 474 2HB PRO 57 1HB PRO 57 6.660 8.233 -2.646 475 1HG PRO 57 2HG PRO 57 3.905 7.644 -2.940 476 2HG PRO 57 1HG PRO 57 4.825 7.730 -1.468 477 1HD PRO 57 2HD PRO 57 2.868 9.625 -2.434 478 2HD PRO 57 1HD PRO 57 3.735 9.616 -0.889 479 H GLU 58 H GLU 58 5.865 12.558 -3.909 480 HA GLU 58 HA GLU 58 6.000 11.823 -6.761 481 1HB GLU 58 2HB GLU 58 4.633 13.611 -7.216 482 2HB GLU 58 1HB GLU 58 4.146 13.371 -5.542 483 1HG GLU 58 2HG GLU 58 6.037 15.003 -4.927 484 2HG GLU 58 1HG GLU 58 6.073 15.417 -6.641 485 H GLY 59 H GLY 59 7.559 13.453 -4.103 486 1HA GLY 59 2HA GLY 59 9.921 13.834 -5.746 487 2HA GLY 59 1HA GLY 59 9.292 15.261 -4.907 488 H LYS 60 H LYS 60 8.822 12.086 -3.541 489 HA LYS 60 HA LYS 60 10.174 12.937 -1.131 490 1HB LYS 60 2HB LYS 60 8.223 10.931 -1.908 491 2HB LYS 60 1HB LYS 60 9.430 10.275 -0.819 492 1HG LYS 60 2HG LYS 60 7.422 11.317 0.328 493 2HG LYS 60 1HG LYS 60 8.986 11.950 0.839 494 1HD LYS 60 2HD LYS 60 8.218 13.517 -1.380 495 2HD LYS 60 1HD LYS 60 6.774 13.353 -0.381 496 1HE LYS 60 2HE LYS 60 9.494 14.344 0.512 497 2HE LYS 60 1HE LYS 60 8.006 15.285 0.401 498 1HZ LYS 60 1HZ LYS 60 7.265 13.319 1.966 499 2HZ LYS 60 2HZ LYS 60 7.858 14.695 2.529 500 3HZ LYS 60 3HZ LYS 60 8.805 13.412 2.396 501 H ALA 61 H ALA 61 11.114 10.764 -0.018 502 HA ALA 61 HA ALA 61 13.736 10.508 -0.971 503 1HB ALA 61 1HB ALA 61 13.651 9.875 1.230 504 2HB ALA 61 2HB ALA 61 13.485 8.272 0.513 505 3HB ALA 61 3HB ALA 61 12.055 9.143 1.065 506 H LYS 62 H LYS 62 11.258 7.864 -0.949 507 HA LYS 62 HA LYS 62 11.983 7.254 -3.680 508 1HB LYS 62 2HB LYS 62 12.484 4.781 -2.472 509 2HB LYS 62 1HB LYS 62 13.654 5.830 -3.258 510 1HG LYS 62 2HG LYS 62 14.223 6.902 -1.182 511 2HG LYS 62 1HG LYS 62 12.825 6.200 -0.358 512 1HD LYS 62 2HD LYS 62 13.907 4.252 0.045 513 2HD LYS 62 1HD LYS 62 14.604 4.202 -1.576 514 1HE LYS 62 2HE LYS 62 16.561 4.646 -0.504 515 2HE LYS 62 1HE LYS 62 15.964 6.305 -0.474 516 1HZ LYS 62 1HZ LYS 62 15.555 6.150 1.688 517 2HZ LYS 62 2HZ LYS 62 16.589 4.929 1.684 518 3HZ LYS 62 3HZ LYS 62 15.015 4.645 1.629 519 H ILE 63 H ILE 63 9.336 7.739 -2.746 520 HA ILE 63 HA ILE 63 7.365 6.916 -3.017 521 HB ILE 63 HB ILE 63 7.223 5.576 -4.722 522 1HG1 ILE 63 2HG1 ILE 63 7.751 2.994 -3.498 523 2HG1 ILE 63 1HG1 ILE 63 6.679 3.987 -2.523 524 1HG2 ILE 63 1HG2 ILE 63 9.606 3.840 -4.121 525 2HG2 ILE 63 2HG2 ILE 63 9.815 5.476 -4.758 526 3HG2 ILE 63 3HG2 ILE 63 8.908 4.291 -5.677 527 1HD1 ILE 63 1HD1 ILE 63 5.846 2.505 -4.646 528 2HD1 ILE 63 2HD1 ILE 63 6.104 4.081 -5.396 529 3HD1 ILE 63 3HD1 ILE 63 5.004 3.924 -4.027 530 H GLN 64 H GLN 64 6.978 7.418 -1.051 531 HA GLN 64 HA GLN 64 6.772 5.163 0.867 532 1HB GLN 64 2HB GLN 64 7.621 6.437 2.608 533 2HB GLN 64 1HB GLN 64 8.558 7.086 1.263 534 1HG GLN 64 2HG GLN 64 6.560 8.766 1.047 535 2HG GLN 64 1HG GLN 64 6.258 8.329 2.727 536 1HE2 GLN 64 1HE2 GLN 64 9.458 7.872 2.691 537 2HE2 GLN 64 2HE2 GLN 64 10.017 9.440 3.013 538 H LEU 65 H LEU 65 4.721 4.933 1.740 539 HA LEU 65 HA LEU 65 2.919 7.241 1.397 540 1HB LEU 65 2HB LEU 65 1.082 5.841 0.734 541 2HB LEU 65 1HB LEU 65 2.442 5.470 -0.307 542 HG LEU 65 HG LEU 65 1.339 3.419 0.338 543 1HD1 LEU 65 1HD1 LEU 65 3.992 3.811 0.453 544 2HD1 LEU 65 2HD1 LEU 65 3.245 2.240 0.747 545 3HD1 LEU 65 3HD1 LEU 65 3.711 3.262 2.105 546 1HD2 LEU 65 1HD2 LEU 65 0.611 4.580 2.626 547 2HD2 LEU 65 2HD2 LEU 65 2.035 3.725 3.221 548 3HD2 LEU 65 3HD2 LEU 65 0.716 2.827 2.469 549 H GLN 66 H GLN 66 1.038 7.187 2.930 550 HA GLN 66 HA GLN 66 1.489 5.562 5.326 551 1HB GLN 66 2HB GLN 66 2.613 8.092 5.148 552 2HB GLN 66 1HB GLN 66 1.103 8.374 6.015 553 1HG GLN 66 2HG GLN 66 1.679 6.594 7.617 554 2HG GLN 66 1HG GLN 66 3.186 6.297 6.750 555 1HE2 GLN 66 1HE2 GLN 66 4.953 7.722 7.141 556 2HE2 GLN 66 2HE2 GLN 66 4.875 9.024 8.227 557 H LEU 67 H LEU 67 -0.428 4.964 6.130 558 HA LEU 67 HA LEU 67 -2.785 6.704 5.723 559 1HB LEU 67 2HB LEU 67 -2.930 5.029 3.985 560 2HB LEU 67 1HB LEU 67 -2.494 3.746 5.110 561 HG LEU 67 HG LEU 67 -4.843 5.287 5.954 562 1HD1 LEU 67 1HD1 LEU 67 -6.222 3.879 4.223 563 2HD1 LEU 67 2HD1 LEU 67 -4.733 3.933 3.279 564 3HD1 LEU 67 3HD1 LEU 67 -5.545 5.431 3.733 565 1HD2 LEU 67 1HD2 LEU 67 -3.821 2.510 5.860 566 2HD2 LEU 67 2HD2 LEU 67 -5.571 2.690 5.783 567 3HD2 LEU 67 3HD2 LEU 67 -4.680 3.348 7.153 568 H VAL 68 H VAL 68 -4.394 6.357 7.451 569 HA VAL 68 HA VAL 68 -3.257 4.765 9.638 570 HB VAL 68 HB VAL 68 -4.763 7.278 10.257 571 1HG1 VAL 68 1HG1 VAL 68 -4.517 5.869 12.143 572 2HG1 VAL 68 2HG1 VAL 68 -3.183 7.013 12.279 573 3HG1 VAL 68 3HG1 VAL 68 -2.887 5.391 11.661 574 1HG2 VAL 68 1HG2 VAL 68 -2.967 8.563 9.786 575 2HG2 VAL 68 2HG2 VAL 68 -2.315 7.183 8.899 576 3HG2 VAL 68 3HG2 VAL 68 -1.899 7.418 10.597 577 H LEU 69 H LEU 69 -4.634 4.102 11.194 578 HA LEU 69 HA LEU 69 -7.094 3.041 10.113 579 1HB LEU 69 2HB LEU 69 -5.691 2.697 12.777 580 2HB LEU 69 1HB LEU 69 -6.934 1.637 12.151 581 HG LEU 69 HG LEU 69 -4.138 1.407 11.796 582 1HD1 LEU 69 1HD1 LEU 69 -6.534 -0.024 10.937 583 2HD1 LEU 69 2HD1 LEU 69 -5.037 -0.638 11.637 584 3HD1 LEU 69 3HD1 LEU 69 -5.118 -0.277 9.908 585 1HD2 LEU 69 1HD2 LEU 69 -5.440 2.410 9.301 586 2HD2 LEU 69 2HD2 LEU 69 -4.120 1.247 9.221 587 3HD2 LEU 69 3HD2 LEU 69 -3.865 2.814 9.983 588 H HIS 70 H HIS 70 -9.190 3.523 11.009 589 HA HIS 70 HA HIS 70 -9.717 6.053 12.012 590 1HB HIS 70 2HB HIS 70 -11.720 4.834 13.186 591 2HB HIS 70 1HB HIS 70 -11.635 4.806 11.424 592 HD1 HIS 70 HD1 HIS 70 -11.089 2.634 14.452 593 HD2 HIS 70 HD2 HIS 70 -11.078 2.266 10.299 594 HE1 HIS 70 HE1 HIS 70 -10.998 0.153 13.953 595 H ALA 71 H ALA 71 -8.592 3.175 13.503 596 HA ALA 71 HA ALA 71 -8.711 4.135 16.229 597 1HB ALA 71 1HB ALA 71 -8.724 1.679 15.519 598 2HB ALA 71 2HB ALA 71 -7.591 2.095 16.806 599 3HB ALA 71 3HB ALA 71 -7.009 1.872 15.156 600 H GLY 72 H GLY 72 -5.995 3.327 16.937 601 1HA GLY 72 2HA GLY 72 -4.577 5.676 15.878 602 2HA GLY 72 1HA GLY 72 -4.310 4.956 17.468 603 H ASP 73 H ASP 73 -4.558 3.654 14.288 604 HA ASP 73 HA ASP 73 -1.844 2.500 14.604 605 1HB ASP 73 2HB ASP 73 -3.343 0.680 14.957 606 2HB ASP 73 1HB ASP 73 -4.367 1.154 13.616 607 H THR 74 H THR 74 -0.529 2.953 12.951 608 HA THR 74 HA THR 74 -1.782 4.149 10.580 609 HB THR 74 HB THR 74 1.135 4.402 11.110 610 HG1 THR 74 HG1 THR 74 -0.903 5.731 12.563 611 1HG2 THR 74 1HG2 THR 74 0.163 6.867 10.503 612 2HG2 THR 74 2HG2 THR 74 -1.048 5.845 9.728 613 3HG2 THR 74 3HG2 THR 74 0.653 5.685 9.289 614 H THR 75 H THR 75 -0.585 3.685 8.509 615 HA THR 75 HA THR 75 0.787 1.104 8.596 616 HB THR 75 HB THR 75 -1.209 1.803 6.440 617 HG1 THR 75 HG1 THR 75 -1.644 0.666 8.975 618 1HG2 THR 75 1HG2 THR 75 0.351 0.019 5.928 619 2HG2 THR 75 2HG2 THR 75 -1.231 -0.698 6.232 620 3HG2 THR 75 3HG2 THR 75 0.021 -0.766 7.472 621 H ASN 76 H ASN 76 2.799 1.885 7.945 622 HA ASN 76 HA ASN 76 2.775 3.877 5.768 623 1HB ASN 76 2HB ASN 76 5.086 3.181 7.592 624 2HB ASN 76 1HB ASN 76 4.914 4.595 6.553 625 1HD2 ASN 76 1HD2 ASN 76 5.424 5.017 9.282 626 2HD2 ASN 76 2HD2 ASN 76 4.033 5.631 10.036 627 H PHE 77 H PHE 77 4.058 3.387 3.915 628 HA PHE 77 HA PHE 77 5.408 0.799 4.046 629 1HB PHE 77 2HB PHE 77 2.892 1.242 2.733 630 2HB PHE 77 1HB PHE 77 4.133 0.809 1.555 631 HD1 PHE 77 HD1 PHE 77 5.937 -0.887 2.759 632 HD2 PHE 77 HD2 PHE 77 1.709 -0.687 3.491 633 HE1 PHE 77 HE1 PHE 77 5.966 -3.227 3.541 634 HE2 PHE 77 HE2 PHE 77 1.736 -3.031 4.272 635 HZ PHE 77 HZ PHE 77 3.884 -4.282 4.296 636 H HIS 78 H HIS 78 7.088 0.596 2.728 637 HA HIS 78 HA HIS 78 7.661 2.797 0.833 638 1HB HIS 78 2HB HIS 78 8.688 3.359 3.098 639 2HB HIS 78 1HB HIS 78 9.744 1.964 2.866 640 HD1 HIS 78 HD1 HIS 78 11.260 1.998 0.667 641 HD2 HIS 78 HD2 HIS 78 9.462 5.645 1.529 642 HE1 HIS 78 HE1 HIS 78 12.350 3.735 -0.812 643 H PHE 79 H PHE 79 9.014 2.264 -0.762 644 HA PHE 79 HA PHE 79 9.799 -0.592 -0.940 645 1HB PHE 79 2HB PHE 79 9.384 1.452 -3.103 646 2HB PHE 79 1HB PHE 79 9.501 -0.289 -3.294 647 HD1 PHE 79 HD1 PHE 79 7.425 2.407 -1.720 648 HD2 PHE 79 HD2 PHE 79 7.555 -1.628 -3.160 649 HE1 PHE 79 HE1 PHE 79 4.949 2.245 -1.464 650 HE2 PHE 79 HE2 PHE 79 5.081 -1.793 -2.897 651 HZ PHE 79 HZ PHE 79 3.798 0.135 -2.048 652 H SER 80 H SER 80 12.216 -0.911 -1.450 653 HA SER 80 HA SER 80 13.642 1.207 -2.549 654 1HB SER 80 2HB SER 80 13.082 2.190 -0.288 655 2HB SER 80 1HB SER 80 14.120 0.947 0.403 656 HG SER 80 HG SER 80 15.341 2.788 0.019 657 H ASN 81 H ASN 81 15.185 0.067 -3.517 658 HA ASN 81 HA ASN 81 16.881 -1.696 -1.947 659 1HB ASN 81 2HB ASN 81 15.282 -2.680 -4.322 660 2HB ASN 81 1HB ASN 81 16.691 -3.519 -3.695 661 1HD2 ASN 81 1HD2 ASN 81 13.459 -2.323 -2.646 662 2HD2 ASN 81 2HD2 ASN 81 13.255 -3.504 -1.440 663 H GLU 82 H GLU 82 18.399 -2.708 -4.084 664 HA GLU 82 HA GLU 82 20.031 -0.583 -4.760 665 1HB GLU 82 2HB GLU 82 19.529 -2.879 -6.658 666 2HB GLU 82 1HB GLU 82 21.036 -2.009 -6.370 667 1HG GLU 82 2HG GLU 82 21.594 -3.548 -4.830 668 2HG GLU 82 1HG GLU 82 20.208 -3.043 -3.865 669 H SER 83 H SER 83 17.204 -1.858 -6.488 670 HA SER 83 HA SER 83 16.882 0.759 -7.734 671 1HB SER 83 2HB SER 83 17.293 -1.751 -9.332 672 2HB SER 83 1HB SER 83 16.624 -0.259 -9.982 673 HG SER 83 HG SER 83 18.547 0.776 -9.504 674 H THR 84 H THR 84 15.274 -0.935 -5.848 675 HA THR 84 HA THR 84 13.076 -1.777 -7.585 676 HB THR 84 HB THR 84 11.973 -2.408 -5.425 677 HG1 THR 84 HG1 THR 84 12.815 -1.114 -3.931 678 1HG2 THR 84 1HG2 THR 84 13.208 -4.121 -6.532 679 2HG2 THR 84 2HG2 THR 84 13.710 -4.181 -4.842 680 3HG2 THR 84 3HG2 THR 84 14.751 -3.420 -6.045 681 H ALA 85 H ALA 85 13.897 0.864 -5.404 682 HA ALA 85 HA ALA 85 11.222 1.861 -5.365 683 1HB ALA 85 1HB ALA 85 13.766 2.499 -4.112 684 2HB ALA 85 2HB ALA 85 12.132 2.874 -3.565 685 3HB ALA 85 3HB ALA 85 12.959 3.960 -4.681 686 H VAL 86 H VAL 86 10.881 1.866 -7.573 687 HA VAL 86 HA VAL 86 11.486 4.449 -8.765 688 HB VAL 86 HB VAL 86 11.862 2.113 -10.593 689 1HG1 VAL 86 1HG1 VAL 86 13.732 4.348 -10.707 690 2HG1 VAL 86 2HG1 VAL 86 12.055 4.893 -10.764 691 3HG1 VAL 86 3HG1 VAL 86 12.647 3.734 -11.955 692 1HG2 VAL 86 1HG2 VAL 86 13.986 3.150 -8.685 693 2HG2 VAL 86 2HG2 VAL 86 14.274 2.032 -10.019 694 3HG2 VAL 86 3HG2 VAL 86 13.273 1.537 -8.654 695 H LYS 87 H LYS 87 10.515 3.427 -11.407 696 HA LYS 87 HA LYS 87 7.846 4.092 -11.241 697 1HB LYS 87 2HB LYS 87 9.406 3.617 -13.297 698 2HB LYS 87 1HB LYS 87 8.732 1.990 -13.190 699 1HG LYS 87 2HG LYS 87 7.021 2.805 -14.430 700 2HG LYS 87 1HG LYS 87 6.489 3.581 -12.938 701 1HD LYS 87 2HD LYS 87 6.604 5.280 -14.657 702 2HD LYS 87 1HD LYS 87 7.937 5.553 -13.534 703 1HE LYS 87 2HE LYS 87 8.576 5.682 -15.983 704 2HE LYS 87 1HE LYS 87 9.515 4.528 -15.035 705 1HZ LYS 87 1HZ LYS 87 7.141 3.723 -16.503 706 2HZ LYS 87 2HZ LYS 87 8.307 2.790 -15.929 707 3HZ LYS 87 3HZ LYS 87 8.585 3.729 -17.194 708 H GLU 88 H GLU 88 9.347 1.039 -10.490 709 HA GLU 88 HA GLU 88 7.079 -0.648 -10.629 710 1HB GLU 88 2HB GLU 88 8.723 -1.161 -8.247 711 2HB GLU 88 1HB GLU 88 8.413 -2.198 -9.615 712 1HG GLU 88 2HG GLU 88 10.072 -0.509 -10.828 713 2HG GLU 88 1HG GLU 88 10.639 -0.271 -9.179 714 H ARG 89 H ARG 89 8.462 0.608 -7.701 715 HA ARG 89 HA ARG 89 6.159 0.437 -6.121 716 1HB ARG 89 2HB ARG 89 8.107 2.650 -5.621 717 2HB ARG 89 1HB ARG 89 7.410 1.496 -4.489 718 1HG ARG 89 2HG ARG 89 9.617 0.984 -6.496 719 2HG ARG 89 1HG ARG 89 9.748 0.912 -4.757 720 1HD ARG 89 2HD ARG 89 8.561 -1.105 -4.608 721 2HD ARG 89 1HD ARG 89 7.751 -0.856 -6.145 722 HE ARG 89 HE ARG 89 10.391 -1.081 -6.819 723 1HH1 ARG 89 1HH2 ARG 89 8.098 -2.905 -4.986 724 2HH1 ARG 89 2HH2 ARG 89 8.826 -4.432 -5.357 725 1HH2 ARG 89 1HH1 ARG 89 11.343 -3.068 -7.309 726 2HH2 ARG 89 2HH1 ARG 89 10.658 -4.525 -6.669 727 H ASP 90 H ASP 90 7.417 2.947 -8.227 728 HA ASP 90 HA ASP 90 5.549 4.980 -7.613 729 1HB ASP 90 2HB ASP 90 7.647 4.712 -9.387 730 2HB ASP 90 1HB ASP 90 6.248 4.733 -10.461 731 H ALA 91 H ALA 91 5.201 1.915 -9.086 732 HA ALA 91 HA ALA 91 2.732 2.591 -10.480 733 1HB ALA 91 1HB ALA 91 4.638 0.576 -10.775 734 2HB ALA 91 2HB ALA 91 3.049 0.613 -11.539 735 3HB ALA 91 3HB ALA 91 3.274 -0.244 -10.014 736 H VAL 92 H VAL 92 3.932 0.972 -7.559 737 HA VAL 92 HA VAL 92 1.400 0.084 -6.613 738 HB VAL 92 HB VAL 92 3.780 1.052 -4.990 739 1HG1 VAL 92 1HG1 VAL 92 2.185 0.795 -3.366 740 2HG1 VAL 92 2HG1 VAL 92 2.588 -0.914 -3.548 741 3HG1 VAL 92 3HG1 VAL 92 1.182 -0.246 -4.375 742 1HG2 VAL 92 1HG2 VAL 92 4.280 -1.431 -4.872 743 2HG2 VAL 92 2HG2 VAL 92 4.534 -0.706 -6.461 744 3HG2 VAL 92 3HG2 VAL 92 3.084 -1.662 -6.149 745 H LYS 93 H LYS 93 3.280 2.880 -5.356 746 HA LYS 93 HA LYS 93 1.236 4.262 -4.171 747 1HB LYS 93 2HB LYS 93 3.450 5.129 -3.996 748 2HB LYS 93 1HB LYS 93 3.635 5.218 -5.746 749 1HG LYS 93 2HG LYS 93 1.664 6.901 -5.672 750 2HG LYS 93 1HG LYS 93 1.989 6.992 -3.942 751 1HD LYS 93 2HD LYS 93 3.546 8.548 -4.459 752 2HD LYS 93 1HD LYS 93 4.511 7.210 -5.082 753 1HE LYS 93 2HE LYS 93 3.025 7.560 -7.245 754 2HE LYS 93 1HE LYS 93 2.816 9.179 -6.577 755 1HZ LYS 93 1HZ LYS 93 5.414 8.800 -6.334 756 2HZ LYS 93 2HZ LYS 93 4.743 9.532 -7.588 757 3HZ LYS 93 3HZ LYS 93 5.143 7.986 -7.686 758 H ASP 94 H ASP 94 2.004 4.080 -7.646 759 HA ASP 94 HA ASP 94 0.285 6.064 -8.588 760 1HB ASP 94 2HB ASP 94 1.488 3.594 -9.659 761 2HB ASP 94 1HB ASP 94 0.018 4.112 -10.480 762 H LEU 95 H LEU 95 -0.424 2.838 -7.356 763 HA LEU 95 HA LEU 95 -3.252 3.144 -8.126 764 1HB LEU 95 2HB LEU 95 -1.630 0.916 -6.898 765 2HB LEU 95 1HB LEU 95 -3.391 0.864 -6.899 766 HG LEU 95 HG LEU 95 -2.716 -0.306 -8.865 767 1HD1 LEU 95 1HD1 LEU 95 -4.039 0.789 -10.357 768 2HD1 LEU 95 2HD1 LEU 95 -3.101 2.278 -10.243 769 3HD1 LEU 95 3HD1 LEU 95 -4.312 1.903 -9.017 770 1HD2 LEU 95 1HD2 LEU 95 -0.391 0.417 -8.943 771 2HD2 LEU 95 2HD2 LEU 95 -0.883 2.048 -9.396 772 3HD2 LEU 95 3HD2 LEU 95 -1.143 0.707 -10.510 773 H LEU 96 H LEU 96 -1.258 2.941 -5.195 774 HA LEU 96 HA LEU 96 -3.076 2.913 -3.168 775 1HB LEU 96 2HB LEU 96 -0.743 4.836 -3.296 776 2HB LEU 96 1HB LEU 96 -1.460 4.119 -1.865 777 HG LEU 96 HG LEU 96 0.179 2.767 -4.008 778 1HD1 LEU 96 1HD1 LEU 96 0.721 2.009 -1.282 779 2HD1 LEU 96 2HD1 LEU 96 0.694 3.768 -1.404 780 3HD1 LEU 96 3HD1 LEU 96 1.780 2.830 -2.429 781 1HD2 LEU 96 1HD2 LEU 96 -0.472 0.754 -2.276 782 2HD2 LEU 96 2HD2 LEU 96 -1.300 1.035 -3.808 783 3HD2 LEU 96 3HD2 LEU 96 -1.983 1.663 -2.308 784 H GLN 97 H GLN 97 -1.805 6.094 -4.335 785 HA GLN 97 HA GLN 97 -3.840 7.591 -3.083 786 1HB GLN 97 2HB GLN 97 -3.214 9.282 -4.953 787 2HB GLN 97 1HB GLN 97 -1.993 8.862 -3.755 788 1HG GLN 97 2HG GLN 97 -1.308 8.838 -6.263 789 2HG GLN 97 1HG GLN 97 -0.841 7.456 -5.269 790 1HE2 GLN 97 1HE2 GLN 97 -1.712 5.426 -5.805 791 2HE2 GLN 97 2HE2 GLN 97 -2.840 5.179 -7.010 792 H GLN 98 H GLN 98 -4.273 5.395 -5.527 793 HA GLN 98 HA GLN 98 -6.288 6.944 -6.952 794 1HB GLN 98 2HB GLN 98 -4.638 5.412 -8.140 795 2HB GLN 98 1HB GLN 98 -5.506 4.060 -7.411 796 1HG GLN 98 2HG GLN 98 -7.544 5.626 -8.449 797 2HG GLN 98 1HG GLN 98 -6.275 5.762 -9.666 798 1HE2 GLN 98 1HE2 GLN 98 -6.430 4.149 -11.220 799 2HE2 GLN 98 2HE2 GLN 98 -6.994 2.572 -10.942 800 H LEU 99 H LEU 99 -5.995 4.166 -4.732 801 HA LEU 99 HA LEU 99 -8.890 3.737 -4.866 802 1HB LEU 99 2HB LEU 99 -7.584 2.468 -2.597 803 2HB LEU 99 1HB LEU 99 -8.477 1.731 -3.903 804 HG LEU 99 HG LEU 99 -6.185 2.407 -5.197 805 1HD1 LEU 99 1HD1 LEU 99 -5.739 2.421 -2.303 806 2HD1 LEU 99 2HD1 LEU 99 -4.725 3.029 -3.606 807 3HD1 LEU 99 3HD1 LEU 99 -4.653 1.329 -3.166 808 1HD2 LEU 99 1HD2 LEU 99 -6.218 0.169 -5.517 809 2HD2 LEU 99 2HD2 LEU 99 -7.503 0.067 -4.313 810 3HD2 LEU 99 3HD2 LEU 99 -5.818 -0.117 -3.823 811 H LEU 100 H LEU 100 -6.620 5.485 -2.864 812 HA LEU 100 HA LEU 100 -8.010 5.606 -0.476 813 1HB LEU 100 2HB LEU 100 -6.936 8.205 -1.486 814 2HB LEU 100 1HB LEU 100 -6.765 7.456 0.093 815 HG LEU 100 HG LEU 100 -5.311 6.718 -2.448 816 1HD1 LEU 100 1HD1 LEU 100 -4.604 7.967 0.187 817 2HD1 LEU 100 2HD1 LEU 100 -4.108 8.440 -1.437 818 3HD1 LEU 100 3HD1 LEU 100 -3.386 7.024 -0.672 819 1HD2 LEU 100 1HD2 LEU 100 -5.825 5.186 0.065 820 2HD2 LEU 100 2HD2 LEU 100 -4.206 5.094 -0.626 821 3HD2 LEU 100 3HD2 LEU 100 -5.601 4.593 -1.580 822 HA PRO 101 HA PRO 101 -10.773 8.898 -2.600 823 1HB PRO 101 2HB PRO 101 -10.676 7.868 -5.376 824 2HB PRO 101 1HB PRO 101 -10.677 9.549 -4.812 825 1HG PRO 101 2HG PRO 101 -8.462 8.217 -5.788 826 2HG PRO 101 1HG PRO 101 -8.379 9.604 -4.689 827 1HD PRO 101 2HD PRO 101 -7.755 6.810 -4.148 828 2HD PRO 101 1HD PRO 101 -7.434 8.235 -3.154 829 H LYS 102 H LYS 102 -10.615 5.542 -2.903 830 HA LYS 102 HA LYS 102 -13.262 5.064 -3.945 831 1HB LYS 102 2HB LYS 102 -11.411 3.466 -4.230 832 2HB LYS 102 1HB LYS 102 -11.315 3.280 -2.476 833 1HG LYS 102 2HG LYS 102 -12.934 1.744 -2.506 834 2HG LYS 102 1HG LYS 102 -14.030 2.868 -3.314 835 1HD LYS 102 2HD LYS 102 -12.768 2.282 -5.476 836 2HD LYS 102 1HD LYS 102 -12.081 0.932 -4.571 837 1HE LYS 102 2HE LYS 102 -13.994 -0.005 -5.583 838 2HE LYS 102 1HE LYS 102 -14.537 0.374 -3.948 839 1HZ LYS 102 1HZ LYS 102 -15.053 2.613 -5.212 840 2HZ LYS 102 2HZ LYS 102 -16.125 1.434 -5.063 841 3HZ LYS 102 3HZ LYS 102 -15.285 1.584 -6.416 842 H PHE 103 H PHE 103 -11.765 4.949 -0.728 843 HA PHE 103 HA PHE 103 -14.445 4.478 0.416 844 1HB PHE 103 2HB PHE 103 -12.729 4.144 2.520 845 2HB PHE 103 1HB PHE 103 -13.221 2.829 1.449 846 HD1 PHE 103 HD1 PHE 103 -11.830 2.302 -0.569 847 HD2 PHE 103 HD2 PHE 103 -10.488 4.971 2.516 848 HE1 PHE 103 HE1 PHE 103 -9.530 2.143 -1.449 849 HE2 PHE 103 HE2 PHE 103 -8.165 4.799 1.651 850 HZ PHE 103 HZ PHE 103 -7.686 3.388 -0.336 851 H LYS 104 H LYS 104 -12.611 7.064 -0.293 852 HA LYS 104 HA LYS 104 -13.829 8.615 1.842 853 1HB LYS 104 2HB LYS 104 -11.259 7.667 2.275 854 2HB LYS 104 1HB LYS 104 -10.991 9.287 1.632 855 1HG LYS 104 2HG LYS 104 -11.215 9.589 3.981 856 2HG LYS 104 1HG LYS 104 -12.771 10.074 3.307 857 1HD LYS 104 2HD LYS 104 -13.626 7.768 3.758 858 2HD LYS 104 1HD LYS 104 -12.103 7.395 4.559 859 1HE LYS 104 2HE LYS 104 -12.562 9.431 6.041 860 2HE LYS 104 1HE LYS 104 -14.194 9.420 5.379 861 1HZ LYS 104 1HZ LYS 104 -13.557 8.052 7.480 862 2HZ LYS 104 2HZ LYS 104 -13.170 6.942 6.394 863 3HZ LYS 104 3HZ LYS 104 -14.660 7.522 6.448 864 H ARG 105 H ARG 105 -14.827 10.034 0.459 865 HA ARG 105 HA ARG 105 -13.056 11.576 -1.320 866 1HB ARG 105 2HB ARG 105 -14.587 11.429 -3.149 867 2HB ARG 105 1HB ARG 105 -14.372 9.775 -2.575 868 1HG ARG 105 2HG ARG 105 -16.442 10.023 -1.202 869 2HG ARG 105 1HG ARG 105 -16.677 11.626 -1.899 870 1HD ARG 105 2HD ARG 105 -16.358 10.201 -4.170 871 2HD ARG 105 1HD ARG 105 -17.051 8.951 -3.137 872 HE ARG 105 HE ARG 105 -18.671 11.116 -2.725 873 1HH1 ARG 105 1HH2 ARG 105 -17.479 9.361 -5.453 874 2HH1 ARG 105 2HH2 ARG 105 -18.880 9.666 -6.422 875 1HH2 ARG 105 1HH1 ARG 105 -20.501 11.519 -3.983 876 2HH2 ARG 105 2HH1 ARG 105 -20.588 10.885 -5.592 877 H LYS 106 H LYS 106 -16.292 11.321 0.161 878 HA LYS 106 HA LYS 106 -16.613 14.215 0.021 879 1HB LYS 106 2HB LYS 106 -18.506 12.544 -0.297 880 2HB LYS 106 1HB LYS 106 -18.387 12.210 1.431 881 1HG LYS 106 2HG LYS 106 -19.068 14.376 2.028 882 2HG LYS 106 1HG LYS 106 -18.653 15.043 0.449 883 1HD LYS 106 2HD LYS 106 -20.505 13.807 -0.584 884 2HD LYS 106 1HD LYS 106 -20.907 13.082 0.973 885 1HE LYS 106 2HE LYS 106 -21.928 14.969 1.731 886 2HE LYS 106 1HE LYS 106 -20.724 16.029 0.998 887 1HZ LYS 106 1HZ LYS 106 -21.999 16.260 -0.768 888 2HZ LYS 106 2HZ LYS 106 -23.199 15.605 0.064 889 3HZ LYS 106 3HZ LYS 106 -22.309 14.695 -0.906 890 H ALA 107 H ALA 107 -15.573 15.420 1.536 891 HA ALA 107 HA ALA 107 -15.697 14.485 4.328 892 1HB ALA 107 1HB ALA 107 -13.251 15.189 2.733 893 2HB ALA 107 2HB ALA 107 -13.492 13.863 3.869 894 3HB ALA 107 3HB ALA 107 -13.286 15.509 4.466 895 H ASN 108 H ASN 108 -16.863 16.083 5.293 896 HA ASN 108 HA ASN 108 -15.885 18.802 5.161 897 1HB ASN 108 2HB ASN 108 -18.246 19.619 4.508 898 2HB ASN 108 1HB ASN 108 -17.220 18.997 3.215 899 1HD2 ASN 108 1HD2 ASN 108 -20.344 18.852 4.222 900 2HD2 ASN 108 2HD2 ASN 108 -20.750 17.283 3.717 Start of MODEL 5 1 1H MET 1 1H MET 1 -15.338 -10.354 -9.082 2 2H MET 1 2H MET 1 -15.380 -11.939 -9.291 3 3H MET 1 3H MET 1 -16.272 -11.261 -8.150 4 HA MET 1 HA MET 1 -17.969 -10.994 -9.490 5 1HB MET 1 2HB MET 1 -16.995 -8.847 -10.081 6 2HB MET 1 1HB MET 1 -15.888 -9.620 -11.216 7 1HG MET 1 2HG MET 1 -18.367 -10.545 -12.039 8 2HG MET 1 1HG MET 1 -18.701 -8.878 -11.572 9 1HE MET 1 1HE MET 1 -16.052 -7.109 -12.408 10 2HE MET 1 2HE MET 1 -17.804 -6.977 -12.270 11 3HE MET 1 3HE MET 1 -17.020 -6.631 -13.810 12 H ALA 2 H ALA 2 -15.792 -11.177 -12.250 13 HA ALA 2 HA ALA 2 -17.228 -13.288 -13.440 14 1HB ALA 2 1HB ALA 2 -14.912 -13.516 -14.715 15 2HB ALA 2 2HB ALA 2 -14.568 -11.992 -13.897 16 3HB ALA 2 3HB ALA 2 -15.953 -12.117 -14.982 17 H THR 3 H THR 3 -13.825 -13.534 -12.363 18 HA THR 3 HA THR 3 -14.338 -16.361 -11.770 19 HB THR 3 HB THR 3 -11.747 -16.230 -11.375 20 HG1 THR 3 HG1 THR 3 -12.118 -13.781 -11.636 21 1HG2 THR 3 1HG2 THR 3 -12.956 -17.323 -13.290 22 2HG2 THR 3 2HG2 THR 3 -11.382 -16.658 -13.726 23 3HG2 THR 3 3HG2 THR 3 -12.855 -15.791 -14.159 24 H SER 4 H SER 4 -11.809 -14.708 -10.043 25 HA SER 4 HA SER 4 -12.587 -15.634 -7.547 26 1HB SER 4 2HB SER 4 -10.451 -14.247 -8.481 27 2HB SER 4 1HB SER 4 -11.290 -12.969 -7.607 28 HG SER 4 HG SER 4 -9.888 -14.107 -6.232 29 H SER 5 H SER 5 -12.938 -13.697 -5.731 30 HA SER 5 HA SER 5 -15.542 -12.565 -6.514 31 1HB SER 5 2HB SER 5 -14.278 -13.294 -3.880 32 2HB SER 5 1HB SER 5 -15.656 -12.199 -3.946 33 HG SER 5 HG SER 5 -15.740 -14.605 -5.383 34 H GLU 6 H GLU 6 -12.957 -11.540 -4.253 35 HA GLU 6 HA GLU 6 -13.585 -8.794 -4.556 36 1HB GLU 6 2HB GLU 6 -10.863 -9.819 -3.778 37 2HB GLU 6 1HB GLU 6 -11.693 -8.370 -3.216 38 1HG GLU 6 2HG GLU 6 -12.247 -9.649 -1.420 39 2HG GLU 6 1HG GLU 6 -13.476 -10.308 -2.499 40 H GLU 7 H GLU 7 -12.195 -7.165 -5.545 41 HA GLU 7 HA GLU 7 -10.770 -8.216 -7.924 42 1HB GLU 7 2HB GLU 7 -12.011 -5.481 -7.865 43 2HB GLU 7 1HB GLU 7 -11.663 -6.515 -9.251 44 1HG GLU 7 2HG GLU 7 -13.424 -8.121 -8.279 45 2HG GLU 7 1HG GLU 7 -13.908 -6.774 -7.248 46 H VAL 8 H VAL 8 -8.550 -7.928 -7.397 47 HA VAL 8 HA VAL 8 -7.912 -5.579 -5.796 48 HB VAL 8 HB VAL 8 -6.115 -6.778 -5.021 49 1HG1 VAL 8 1HG1 VAL 8 -8.348 -8.328 -5.305 50 2HG1 VAL 8 2HG1 VAL 8 -6.895 -8.838 -4.447 51 3HG1 VAL 8 3HG1 VAL 8 -7.143 -9.319 -6.125 52 1HG2 VAL 8 1HG2 VAL 8 -4.751 -6.873 -6.956 53 2HG2 VAL 8 2HG2 VAL 8 -5.916 -7.863 -7.834 54 3HG2 VAL 8 3HG2 VAL 8 -4.980 -8.565 -6.515 55 H LEU 9 H LEU 9 -6.189 -4.192 -6.447 56 HA LEU 9 HA LEU 9 -6.165 -3.880 -9.365 57 1HB LEU 9 2HB LEU 9 -6.853 -1.914 -8.239 58 2HB LEU 9 1HB LEU 9 -5.533 -2.026 -7.076 59 HG LEU 9 HG LEU 9 -3.906 -1.664 -8.912 60 1HD1 LEU 9 1HD1 LEU 9 -5.690 -0.598 -10.885 61 2HD1 LEU 9 2HD1 LEU 9 -6.201 -2.243 -10.508 62 3HD1 LEU 9 3HD1 LEU 9 -4.552 -1.936 -11.052 63 1HD2 LEU 9 1HD2 LEU 9 -5.664 0.635 -9.386 64 2HD2 LEU 9 2HD2 LEU 9 -4.087 0.574 -8.599 65 3HD2 LEU 9 3HD2 LEU 9 -5.546 0.208 -7.679 66 H LEU 10 H LEU 10 -3.763 -4.593 -6.750 67 HA LEU 10 HA LEU 10 -1.926 -5.363 -8.787 68 1HB LEU 10 2HB LEU 10 -1.818 -2.877 -9.038 69 2HB LEU 10 1HB LEU 10 -1.242 -2.775 -7.375 70 HG LEU 10 HG LEU 10 0.671 -4.237 -7.964 71 1HD1 LEU 10 1HD1 LEU 10 -0.601 -4.082 -10.707 72 2HD1 LEU 10 2HD1 LEU 10 -0.238 -5.531 -9.771 73 3HD1 LEU 10 3HD1 LEU 10 1.075 -4.572 -10.454 74 1HD2 LEU 10 1HD2 LEU 10 1.055 -2.290 -10.079 75 2HD2 LEU 10 2HD2 LEU 10 1.809 -2.359 -8.486 76 3HD2 LEU 10 3HD2 LEU 10 0.257 -1.548 -8.692 77 H ILE 11 H ILE 11 0.175 -6.062 -7.856 78 HA ILE 11 HA ILE 11 0.190 -6.244 -4.924 79 HB ILE 11 HB ILE 11 -0.786 -8.338 -5.514 80 1HG1 ILE 11 2HG1 ILE 11 2.154 -8.360 -4.981 81 2HG1 ILE 11 1HG1 ILE 11 0.848 -9.092 -4.070 82 1HG2 ILE 11 1HG2 ILE 11 -0.475 -8.077 -7.948 83 2HG2 ILE 11 2HG2 ILE 11 0.019 -9.685 -7.417 84 3HG2 ILE 11 3HG2 ILE 11 1.237 -8.460 -7.772 85 1HD1 ILE 11 1HD1 ILE 11 2.006 -10.943 -4.946 86 2HD1 ILE 11 2HD1 ILE 11 2.271 -10.156 -6.502 87 3HD1 ILE 11 3HD1 ILE 11 0.663 -10.739 -6.072 88 H VAL 12 H VAL 12 2.302 -5.907 -4.195 89 HA VAL 12 HA VAL 12 4.377 -6.013 -6.297 90 HB VAL 12 HB VAL 12 5.446 -4.417 -4.315 91 1HG1 VAL 12 1HG1 VAL 12 5.718 -3.913 -6.626 92 2HG1 VAL 12 2HG1 VAL 12 4.827 -2.547 -5.952 93 3HG1 VAL 12 3HG1 VAL 12 3.977 -3.784 -6.879 94 1HG2 VAL 12 1HG2 VAL 12 3.496 -2.640 -4.259 95 2HG2 VAL 12 2HG2 VAL 12 3.561 -3.921 -3.050 96 3HG2 VAL 12 3HG2 VAL 12 2.468 -4.057 -4.426 97 H LYS 13 H LYS 13 5.085 -8.028 -5.942 98 HA LYS 13 HA LYS 13 5.444 -9.477 -3.634 99 1HB LYS 13 2HB LYS 13 7.273 -9.356 -6.035 100 2HB LYS 13 1HB LYS 13 7.192 -10.661 -4.869 101 1HG LYS 13 2HG LYS 13 5.608 -11.596 -6.190 102 2HG LYS 13 1HG LYS 13 4.542 -10.285 -5.676 103 1HD LYS 13 2HD LYS 13 5.438 -8.872 -7.521 104 2HD LYS 13 1HD LYS 13 6.409 -10.238 -8.062 105 1HE LYS 13 2HE LYS 13 4.058 -11.486 -8.003 106 2HE LYS 13 1HE LYS 13 3.449 -9.844 -8.210 107 1HZ LYS 13 1HZ LYS 13 5.344 -11.218 -9.947 108 2HZ LYS 13 2HZ LYS 13 4.962 -9.672 -10.097 109 3HZ LYS 13 3HZ LYS 13 3.845 -10.795 -10.318 110 H LYS 14 H LYS 14 7.147 -6.742 -4.640 111 HA LYS 14 HA LYS 14 9.193 -7.251 -2.569 112 1HB LYS 14 2HB LYS 14 9.582 -6.585 -5.244 113 2HB LYS 14 1HB LYS 14 9.790 -5.054 -4.390 114 1HG LYS 14 2HG LYS 14 11.933 -6.250 -4.509 115 2HG LYS 14 1HG LYS 14 11.379 -6.153 -2.835 116 1HD LYS 14 2HD LYS 14 10.774 -8.412 -2.766 117 2HD LYS 14 1HD LYS 14 10.646 -8.533 -4.521 118 1HE LYS 14 2HE LYS 14 12.730 -9.396 -4.501 119 2HE LYS 14 1HE LYS 14 13.298 -7.780 -4.082 120 1HZ LYS 14 1HZ LYS 14 12.493 -9.822 -2.161 121 2HZ LYS 14 2HZ LYS 14 13.030 -8.361 -1.790 122 3HZ LYS 14 3HZ LYS 14 14.006 -9.418 -2.492 123 H VAL 15 H VAL 15 8.602 -6.195 -0.750 124 HA VAL 15 HA VAL 15 8.177 -3.340 -1.033 125 HB VAL 15 HB VAL 15 5.952 -5.078 0.044 126 1HG1 VAL 15 1HG1 VAL 15 4.969 -3.130 1.006 127 2HG1 VAL 15 2HG1 VAL 15 6.157 -2.064 0.256 128 3HG1 VAL 15 3HG1 VAL 15 6.636 -3.127 1.581 129 1HG2 VAL 15 1HG2 VAL 15 6.442 -3.230 -2.219 130 2HG2 VAL 15 2HG2 VAL 15 4.866 -3.123 -1.448 131 3HG2 VAL 15 3HG2 VAL 15 5.407 -4.653 -2.142 132 H ARG 16 H ARG 16 8.708 -2.254 0.776 133 HA ARG 16 HA ARG 16 9.656 -3.924 2.989 134 1HB ARG 16 2HB ARG 16 11.679 -3.317 2.175 135 2HB ARG 16 1HB ARG 16 11.028 -1.986 1.251 136 1HG ARG 16 2HG ARG 16 11.220 -0.504 3.043 137 2HG ARG 16 1HG ARG 16 11.162 -1.793 4.243 138 1HD ARG 16 2HD ARG 16 13.462 -0.571 3.548 139 2HD ARG 16 1HD ARG 16 13.402 -2.253 4.067 140 HE ARG 16 HE ARG 16 13.051 -2.432 1.357 141 1HH1 ARG 16 1HH2 ARG 16 15.297 -0.866 3.480 142 2HH1 ARG 16 2HH2 ARG 16 16.617 -0.982 2.367 143 1HH2 ARG 16 1HH1 ARG 16 14.769 -2.584 -0.087 144 2HH2 ARG 16 2HH1 ARG 16 16.320 -1.952 0.354 145 H GLN 17 H GLN 17 9.268 -3.109 5.003 146 HA GLN 17 HA GLN 17 8.068 -0.441 5.071 147 1HB GLN 17 2HB GLN 17 6.246 -1.411 6.564 148 2HB GLN 17 1HB GLN 17 6.138 -1.843 4.866 149 1HG GLN 17 2HG GLN 17 7.054 -4.006 5.232 150 2HG GLN 17 1HG GLN 17 7.511 -3.605 6.878 151 1HE2 GLN 17 1HE2 GLN 17 4.995 -2.242 7.584 152 2HE2 GLN 17 2HE2 GLN 17 3.795 -3.437 7.660 153 H LYS 18 H LYS 18 8.751 0.635 6.822 154 HA LYS 18 HA LYS 18 11.011 0.215 8.096 155 1HB LYS 18 2HB LYS 18 8.646 1.721 8.778 156 2HB LYS 18 1HB LYS 18 9.449 1.146 10.240 157 1HG LYS 18 2HG LYS 18 11.611 1.953 8.838 158 2HG LYS 18 1HG LYS 18 10.410 3.067 8.186 159 1HD LYS 18 2HD LYS 18 10.717 4.321 10.030 160 2HD LYS 18 1HD LYS 18 9.921 3.037 10.941 161 1HE LYS 18 2HE LYS 18 12.895 3.237 10.381 162 2HE LYS 18 1HE LYS 18 12.111 3.538 11.932 163 1HZ LYS 18 1HZ LYS 18 11.332 1.066 10.979 164 2HZ LYS 18 2HZ LYS 18 12.170 1.392 12.302 165 3HZ LYS 18 3HZ LYS 18 12.930 1.126 10.920 166 H LYS 19 H LYS 19 8.171 -1.719 8.845 167 HA LYS 19 HA LYS 19 9.378 -2.738 11.270 168 1HB LYS 19 2HB LYS 19 7.452 -4.217 11.371 169 2HB LYS 19 1HB LYS 19 6.881 -2.613 10.935 170 1HG LYS 19 2HG LYS 19 6.835 -3.331 8.518 171 2HG LYS 19 1HG LYS 19 7.295 -4.958 9.018 172 1HD LYS 19 2HD LYS 19 4.759 -3.469 9.706 173 2HD LYS 19 1HD LYS 19 4.926 -4.955 8.762 174 1HE LYS 19 2HE LYS 19 5.633 -4.654 11.702 175 2HE LYS 19 1HE LYS 19 4.177 -5.430 11.079 176 1HZ LYS 19 1HZ LYS 19 6.928 -6.316 10.805 177 2HZ LYS 19 2HZ LYS 19 5.790 -6.856 9.818 178 3HZ LYS 19 3HZ LYS 19 5.679 -7.130 11.390 179 H GLN 20 H GLN 20 8.618 -4.040 8.098 180 HA GLN 20 HA GLN 20 10.913 -5.839 8.172 181 1HB GLN 20 2HB GLN 20 9.363 -7.246 9.211 182 2HB GLN 20 1HB GLN 20 8.012 -6.593 8.297 183 1HG GLN 20 2HG GLN 20 8.381 -8.738 7.378 184 2HG GLN 20 1HG GLN 20 9.126 -7.659 6.226 185 1HE2 GLN 20 1HE2 GLN 20 10.072 -10.244 6.199 186 2HE2 GLN 20 2HE2 GLN 20 11.602 -10.341 6.928 187 H ASP 21 H ASP 21 11.038 -7.051 6.009 188 HA ASP 21 HA ASP 21 10.022 -5.266 3.904 189 1HB ASP 21 2HB ASP 21 12.143 -7.379 3.485 190 2HB ASP 21 1HB ASP 21 11.826 -5.945 2.494 191 H GLY 22 H GLY 22 8.588 -6.234 2.503 192 1HA GLY 22 2HA GLY 22 8.172 -9.067 2.513 193 2HA GLY 22 1HA GLY 22 6.954 -8.192 3.409 194 H ALA 23 H ALA 23 6.269 -9.619 1.107 195 HA ALA 23 HA ALA 23 6.069 -7.712 -1.029 196 1HB ALA 23 1HB ALA 23 4.582 -9.578 -1.993 197 2HB ALA 23 2HB ALA 23 5.057 -10.521 -0.582 198 3HB ALA 23 3HB ALA 23 6.277 -9.982 -1.732 199 H LEU 24 H LEU 24 4.498 -6.458 -1.382 200 HA LEU 24 HA LEU 24 2.208 -6.407 0.494 201 1HB LEU 24 2HB LEU 24 3.963 -4.481 -0.616 202 2HB LEU 24 1HB LEU 24 2.358 -4.091 -1.195 203 HG LEU 24 HG LEU 24 3.404 -4.234 1.604 204 1HD1 LEU 24 1HD1 LEU 24 3.472 -2.028 0.939 205 2HD1 LEU 24 2HD1 LEU 24 1.776 -2.077 1.423 206 3HD1 LEU 24 3HD1 LEU 24 2.214 -2.253 -0.273 207 1HD2 LEU 24 1HD2 LEU 24 0.892 -3.817 2.186 208 2HD2 LEU 24 2HD2 LEU 24 1.434 -5.475 1.924 209 3HD2 LEU 24 3HD2 LEU 24 0.575 -4.616 0.646 210 H TYR 25 H TYR 25 0.107 -6.422 -0.216 211 HA TYR 25 HA TYR 25 -0.341 -6.823 -3.118 212 1HB TYR 25 2HB TYR 25 -1.473 -8.094 -0.649 213 2HB TYR 25 1HB TYR 25 -2.543 -7.876 -2.031 214 HD1 TYR 25 HD1 TYR 25 0.425 -9.607 -0.741 215 HD2 TYR 25 HD2 TYR 25 -2.129 -9.033 -4.143 216 HE1 TYR 25 HE1 TYR 25 1.400 -11.622 -1.805 217 HE2 TYR 25 HE2 TYR 25 -1.158 -11.054 -5.210 218 HH TYR 25 HH TYR 25 0.393 -12.642 -5.069 219 H LEU 26 H LEU 26 -1.890 -5.358 -4.050 220 HA LEU 26 HA LEU 26 -3.186 -3.582 -2.091 221 1HB LEU 26 2HB LEU 26 -1.605 -2.431 -3.614 222 2HB LEU 26 1HB LEU 26 -2.463 -3.100 -5.002 223 HG LEU 26 HG LEU 26 -4.356 -1.841 -3.237 224 1HD1 LEU 26 1HD1 LEU 26 -3.482 0.521 -3.636 225 2HD1 LEU 26 2HD1 LEU 26 -1.926 -0.215 -4.021 226 3HD1 LEU 26 3HD1 LEU 26 -2.620 -0.411 -2.411 227 1HD2 LEU 26 1HD2 LEU 26 -5.213 -1.230 -5.247 228 2HD2 LEU 26 2HD2 LEU 26 -3.938 -2.229 -5.946 229 3HD2 LEU 26 3HD2 LEU 26 -3.695 -0.492 -5.760 230 H MET 27 H MET 27 -5.423 -3.459 -2.225 231 HA MET 27 HA MET 27 -6.734 -4.864 -4.448 232 1HB MET 27 2HB MET 27 -6.609 -6.364 -2.426 233 2HB MET 27 1HB MET 27 -7.483 -5.136 -1.517 234 1HG MET 27 2HG MET 27 -9.462 -5.681 -2.455 235 2HG MET 27 1HG MET 27 -8.766 -5.840 -4.062 236 1HE MET 27 1HE MET 27 -7.153 -8.496 -1.103 237 2HE MET 27 2HE MET 27 -8.824 -8.542 -0.548 238 3HE MET 27 3HE MET 27 -8.010 -6.991 -0.744 239 H ALA 28 H ALA 28 -8.556 -3.719 -5.121 240 HA ALA 28 HA ALA 28 -8.856 -1.063 -4.826 241 1HB ALA 28 1HB ALA 28 -11.466 -1.669 -4.928 242 2HB ALA 28 2HB ALA 28 -10.818 -3.277 -5.265 243 3HB ALA 28 3HB ALA 28 -10.401 -1.916 -6.312 244 H GLU 29 H GLU 29 -10.663 -3.347 -2.786 245 HA GLU 29 HA GLU 29 -11.362 -1.180 -1.026 246 1HB GLU 29 2HB GLU 29 -12.846 -3.144 -1.636 247 2HB GLU 29 1HB GLU 29 -11.847 -4.097 -0.537 248 1HG GLU 29 2HG GLU 29 -13.234 -3.392 1.099 249 2HG GLU 29 1HG GLU 29 -12.408 -1.840 0.958 250 H ARG 30 H ARG 30 -8.642 -3.434 -0.932 251 HA ARG 30 HA ARG 30 -8.043 -2.266 1.656 252 1HB ARG 30 2HB ARG 30 -7.981 -4.325 2.878 253 2HB ARG 30 1HB ARG 30 -9.560 -4.240 2.113 254 1HG ARG 30 2HG ARG 30 -7.663 -5.468 0.341 255 2HG ARG 30 1HG ARG 30 -7.623 -6.267 1.913 256 1HD ARG 30 2HD ARG 30 -9.366 -7.406 0.823 257 2HD ARG 30 1HD ARG 30 -10.228 -6.179 1.742 258 HE ARG 30 HE ARG 30 -9.647 -5.016 -0.715 259 1HH1 ARG 30 1HH2 ARG 30 -11.241 -7.847 0.481 260 2HH1 ARG 30 2HH2 ARG 30 -12.402 -7.895 -0.802 261 1HH2 ARG 30 1HH1 ARG 30 -11.188 -5.071 -2.390 262 2HH2 ARG 30 2HH1 ARG 30 -12.368 -6.336 -2.422 263 H ILE 31 H ILE 31 -5.993 -2.951 2.481 264 HA ILE 31 HA ILE 31 -4.119 -3.718 0.304 265 HB ILE 31 HB ILE 31 -3.954 -1.776 2.560 266 1HG1 ILE 31 2HG1 ILE 31 -4.170 -1.297 0.051 267 2HG1 ILE 31 1HG1 ILE 31 -2.893 -0.433 0.906 268 1HG2 ILE 31 1HG2 ILE 31 -2.189 -3.348 3.209 269 2HG2 ILE 31 2HG2 ILE 31 -1.469 -1.876 2.556 270 3HG2 ILE 31 3HG2 ILE 31 -1.547 -3.334 1.567 271 1HD1 ILE 31 1HD1 ILE 31 -2.560 -1.973 -1.384 272 2HD1 ILE 31 2HD1 ILE 31 -2.001 -3.034 -0.091 273 3HD1 ILE 31 3HD1 ILE 31 -1.271 -1.442 -0.303 274 H ALA 32 H ALA 32 -3.180 -5.688 0.509 275 HA ALA 32 HA ALA 32 -3.239 -6.965 3.176 276 1HB ALA 32 1HB ALA 32 -4.203 -7.889 0.744 277 2HB ALA 32 2HB ALA 32 -3.860 -8.885 2.159 278 3HB ALA 32 3HB ALA 32 -2.640 -8.692 0.900 279 H TRP 33 H TRP 33 -1.387 -8.159 3.841 280 HA TRP 33 HA TRP 33 1.040 -7.436 2.316 281 1HB TRP 33 2HB TRP 33 0.790 -5.933 4.273 282 2HB TRP 33 1HB TRP 33 0.823 -7.348 5.319 283 HD1 TRP 33 HD1 TRP 33 2.966 -6.479 2.241 284 HE1 TRP 33 HE1 TRP 33 5.429 -6.614 2.970 285 HE3 TRP 33 HE3 TRP 33 2.489 -7.732 7.175 286 HZ2 TRP 33 HZ2 TRP 33 7.000 -7.199 5.154 287 HZ3 TRP 33 HZ3 TRP 33 4.514 -8.114 8.539 288 HH2 TRP 33 HH2 TRP 33 6.769 -7.859 7.537 289 H ALA 34 H ALA 34 2.583 -8.928 2.236 290 HA ALA 34 HA ALA 34 2.486 -11.279 3.944 291 1HB ALA 34 1HB ALA 34 1.041 -12.074 2.286 292 2HB ALA 34 2HB ALA 34 2.619 -12.716 1.823 293 3HB ALA 34 3HB ALA 34 1.959 -11.307 0.989 294 HA PRO 35 HA PRO 35 6.731 -10.444 2.994 295 1HB PRO 35 2HB PRO 35 7.556 -11.913 5.323 296 2HB PRO 35 1HB PRO 35 7.538 -10.159 5.095 297 1HG PRO 35 2HG PRO 35 5.768 -11.744 6.726 298 2HG PRO 35 1HG PRO 35 5.763 -9.989 6.503 299 1HD PRO 35 2HD PRO 35 3.876 -11.895 5.470 300 2HD PRO 35 1HD PRO 35 3.892 -10.139 5.227 301 H GLU 36 H GLU 36 8.779 -12.116 3.246 302 HA GLU 36 HA GLU 36 7.992 -14.390 1.623 303 1HB GLU 36 2HB GLU 36 10.571 -13.132 2.481 304 2HB GLU 36 1HB GLU 36 10.589 -14.807 1.926 305 1HG GLU 36 2HG GLU 36 10.521 -14.087 -0.202 306 2HG GLU 36 1HG GLU 36 8.956 -13.338 0.117 307 H GLY 37 H GLY 37 6.676 -15.049 3.724 308 1HA GLY 37 2HA GLY 37 8.455 -16.717 5.404 309 2HA GLY 37 1HA GLY 37 6.912 -16.058 5.949 310 H LYS 38 H LYS 38 5.316 -17.553 5.982 311 HA LYS 38 HA LYS 38 5.314 -19.586 3.834 312 1HB LYS 38 2HB LYS 38 4.886 -19.960 6.804 313 2HB LYS 38 1HB LYS 38 4.356 -21.147 5.610 314 1HG LYS 38 2HG LYS 38 6.489 -21.815 5.128 315 2HG LYS 38 1HG LYS 38 7.152 -20.192 5.330 316 1HD LYS 38 2HD LYS 38 7.843 -20.728 7.401 317 2HD LYS 38 1HD LYS 38 6.178 -21.070 7.870 318 1HE LYS 38 2HE LYS 38 6.707 -23.313 6.464 319 2HE LYS 38 1HE LYS 38 8.333 -22.941 7.037 320 1HZ LYS 38 1HZ LYS 38 6.826 -22.578 9.193 321 2HZ LYS 38 2HZ LYS 38 7.636 -23.921 8.876 322 3HZ LYS 38 3HZ LYS 38 6.082 -23.819 8.508 323 H ASP 39 H ASP 39 3.332 -18.111 6.433 324 HA ASP 39 HA ASP 39 0.856 -18.851 5.288 325 1HB ASP 39 2HB ASP 39 -0.018 -16.930 6.713 326 2HB ASP 39 1HB ASP 39 0.888 -18.169 7.582 327 H ARG 40 H ARG 40 1.441 -18.332 3.022 328 HA ARG 40 HA ARG 40 2.104 -16.352 1.586 329 1HB ARG 40 2HB ARG 40 -0.752 -16.683 0.983 330 2HB ARG 40 1HB ARG 40 0.653 -16.923 -0.044 331 1HG ARG 40 2HG ARG 40 1.119 -19.041 1.337 332 2HG ARG 40 1HG ARG 40 -0.521 -18.851 1.958 333 1HD ARG 40 2HD ARG 40 -1.421 -19.633 0.049 334 2HD ARG 40 1HD ARG 40 -0.437 -18.558 -0.940 335 HE ARG 40 HE ARG 40 -0.039 -21.312 -0.638 336 1HH1 ARG 40 1HH2 ARG 40 1.775 -18.366 -0.414 337 2HH1 ARG 40 2HH2 ARG 40 3.303 -19.163 -0.548 338 1HH2 ARG 40 1HH1 ARG 40 1.947 -22.333 -0.835 339 2HH2 ARG 40 2HH1 ARG 40 3.402 -21.395 -0.796 340 H PHE 41 H PHE 41 -0.855 -15.938 3.410 341 HA PHE 41 HA PHE 41 -0.634 -13.061 2.810 342 1HB PHE 41 2HB PHE 41 -2.944 -14.849 3.444 343 2HB PHE 41 1HB PHE 41 -3.054 -13.125 3.831 344 HD1 PHE 41 HD1 PHE 41 -3.599 -15.490 1.303 345 HD2 PHE 41 HD2 PHE 41 -2.035 -11.533 1.938 346 HE1 PHE 41 HE1 PHE 41 -3.914 -14.986 -1.102 347 HE2 PHE 41 HE2 PHE 41 -2.353 -11.029 -0.478 348 HZ PHE 41 HZ PHE 41 -3.285 -12.766 -1.989 349 H THR 42 H THR 42 -0.674 -11.529 4.456 350 HA THR 42 HA THR 42 -0.289 -12.638 7.160 351 HB THR 42 HB THR 42 1.618 -11.371 5.616 352 HG1 THR 42 HG1 THR 42 2.773 -11.646 7.385 353 1HG2 THR 42 1HG2 THR 42 0.152 -9.204 6.251 354 2HG2 THR 42 2HG2 THR 42 1.896 -9.162 6.109 355 3HG2 THR 42 3HG2 THR 42 1.141 -9.302 7.699 356 H ILE 43 H ILE 43 -1.340 -9.795 5.330 357 HA ILE 43 HA ILE 43 -3.501 -9.451 7.313 358 HB ILE 43 HB ILE 43 -2.939 -7.013 7.572 359 1HG1 ILE 43 2HG1 ILE 43 -0.170 -7.131 7.083 360 2HG1 ILE 43 1HG1 ILE 43 -0.936 -7.813 5.647 361 1HG2 ILE 43 1HG2 ILE 43 -0.597 -8.618 8.532 362 2HG2 ILE 43 2HG2 ILE 43 -2.210 -9.066 9.086 363 3HG2 ILE 43 3HG2 ILE 43 -1.584 -7.449 9.408 364 1HD1 ILE 43 1HD1 ILE 43 -0.951 -5.048 6.638 365 2HD1 ILE 43 2HD1 ILE 43 -2.545 -5.650 6.179 366 3HD1 ILE 43 3HD1 ILE 43 -1.226 -5.662 5.008 367 H SER 44 H SER 44 -4.834 -7.356 6.680 368 HA SER 44 HA SER 44 -4.874 -6.567 3.963 369 1HB SER 44 2HB SER 44 -7.383 -7.761 4.052 370 2HB SER 44 1HB SER 44 -6.012 -8.325 3.101 371 HG SER 44 HG SER 44 -7.184 -9.441 5.256 372 H HIS 45 H HIS 45 -5.476 -4.448 4.444 373 HA HIS 45 HA HIS 45 -7.522 -4.097 6.562 374 1HB HIS 45 2HB HIS 45 -6.250 -1.685 5.603 375 2HB HIS 45 1HB HIS 45 -6.401 -2.268 7.258 376 HD1 HIS 45 HD1 HIS 45 -4.287 -3.177 8.302 377 HD2 HIS 45 HD2 HIS 45 -4.016 -2.876 4.163 378 HE1 HIS 45 HE1 HIS 45 -1.879 -3.697 7.709 379 H MET 46 H MET 46 -9.445 -3.327 5.998 380 HA MET 46 HA MET 46 -10.038 -2.833 3.225 381 1HB MET 46 2HB MET 46 -11.528 -3.301 5.662 382 2HB MET 46 1HB MET 46 -12.202 -1.927 4.785 383 1HG MET 46 2HG MET 46 -13.126 -3.311 3.274 384 2HG MET 46 1HG MET 46 -11.542 -3.993 2.903 385 1HE MET 46 1HE MET 46 -12.186 -5.930 2.280 386 2HE MET 46 2HE MET 46 -12.894 -7.272 3.176 387 3HE MET 46 3HE MET 46 -11.210 -6.831 3.448 388 H TYR 47 H TYR 47 -9.301 -1.015 2.363 389 HA TYR 47 HA TYR 47 -8.393 1.287 3.279 390 1HB TYR 47 2HB TYR 47 -10.118 0.703 0.905 391 2HB TYR 47 1HB TYR 47 -9.734 2.390 1.276 392 HD1 TYR 47 HD1 TYR 47 -7.469 -0.256 2.364 393 HD2 TYR 47 HD2 TYR 47 -8.256 2.498 -0.827 394 HE1 TYR 47 HE1 TYR 47 -5.153 -0.534 1.535 395 HE2 TYR 47 HE2 TYR 47 -5.966 2.243 -1.621 396 HH TYR 47 HH TYR 47 -3.525 1.128 0.045 397 H ALA 48 H ALA 48 -11.910 0.589 3.424 398 HA ALA 48 HA ALA 48 -12.598 3.254 4.248 399 1HB ALA 48 1HB ALA 48 -13.956 0.566 4.534 400 2HB ALA 48 2HB ALA 48 -14.405 1.906 3.477 401 3HB ALA 48 3HB ALA 48 -14.647 2.037 5.220 402 H ASP 49 H ASP 49 -11.910 0.250 5.915 403 HA ASP 49 HA ASP 49 -12.074 1.255 8.581 404 1HB ASP 49 2HB ASP 49 -10.470 -1.087 7.512 405 2HB ASP 49 1HB ASP 49 -10.893 -0.804 9.201 406 H ILE 50 H ILE 50 -9.947 1.988 6.129 407 HA ILE 50 HA ILE 50 -7.864 2.762 8.090 408 HB ILE 50 HB ILE 50 -6.824 2.727 5.412 409 1HG1 ILE 50 2HG1 ILE 50 -7.735 0.006 6.370 410 2HG1 ILE 50 1HG1 ILE 50 -8.622 0.937 5.161 411 1HG2 ILE 50 1HG2 ILE 50 -6.221 1.534 8.073 412 2HG2 ILE 50 2HG2 ILE 50 -5.238 2.598 7.077 413 3HG2 ILE 50 3HG2 ILE 50 -5.382 0.888 6.668 414 1HD1 ILE 50 1HD1 ILE 50 -7.032 -0.649 4.107 415 2HD1 ILE 50 2HD1 ILE 50 -5.704 0.146 4.950 416 3HD1 ILE 50 3HD1 ILE 50 -6.627 1.026 3.734 417 H LYS 51 H LYS 51 -8.030 5.115 8.268 418 HA LYS 51 HA LYS 51 -8.247 6.381 5.626 419 1HB LYS 51 2HB LYS 51 -10.519 6.176 6.969 420 2HB LYS 51 1HB LYS 51 -9.885 7.627 7.751 421 1HG LYS 51 2HG LYS 51 -9.892 7.290 4.753 422 2HG LYS 51 1HG LYS 51 -11.230 8.051 5.621 423 1HD LYS 51 2HD LYS 51 -8.324 8.946 5.620 424 2HD LYS 51 1HD LYS 51 -9.673 9.774 4.845 425 1HE LYS 51 2HE LYS 51 -10.594 9.494 7.423 426 2HE LYS 51 1HE LYS 51 -8.871 9.771 7.672 427 1HZ LYS 51 1HZ LYS 51 -10.605 11.697 7.262 428 2HZ LYS 51 2HZ LYS 51 -10.118 11.466 5.755 429 3HZ LYS 51 3HZ LYS 51 -9.053 11.829 6.893 430 H CYS 52 H CYS 52 -6.423 7.339 5.582 431 HA CYS 52 HA CYS 52 -6.022 9.826 6.591 432 1HB CYS 52 2HB CYS 52 -5.676 8.290 8.744 433 2HB CYS 52 1HB CYS 52 -4.056 8.166 8.070 434 HG CYS 52 HG CYS 52 -5.309 10.707 9.255 435 H GLN 53 H GLN 53 -4.340 10.689 5.352 436 HA GLN 53 HA GLN 53 -2.465 8.711 4.211 437 1HB GLN 53 2HB GLN 53 -3.794 10.744 2.438 438 2HB GLN 53 1HB GLN 53 -2.973 9.249 1.987 439 1HG GLN 53 2HG GLN 53 -5.224 8.648 1.771 440 2HG GLN 53 1HG GLN 53 -4.852 8.099 3.406 441 1HE2 GLN 53 1HE2 GLN 53 -7.425 8.467 3.357 442 2HE2 GLN 53 2HE2 GLN 53 -7.932 9.991 3.907 443 H LYS 54 H LYS 54 -0.529 9.392 4.443 444 HA LYS 54 HA LYS 54 0.068 12.284 4.364 445 1HB LYS 54 2HB LYS 54 0.550 11.879 6.577 446 2HB LYS 54 1HB LYS 54 0.686 10.138 6.326 447 1HG LYS 54 2HG LYS 54 2.866 11.002 6.945 448 2HG LYS 54 1HG LYS 54 2.918 10.530 5.247 449 1HD LYS 54 2HD LYS 54 3.624 12.615 4.761 450 2HD LYS 54 1HD LYS 54 2.038 13.207 5.256 451 1HE LYS 54 2HE LYS 54 3.237 14.382 6.800 452 2HE LYS 54 1HE LYS 54 3.219 12.857 7.685 453 1HZ LYS 54 1HZ LYS 54 5.275 12.898 5.802 454 2HZ LYS 54 2HZ LYS 54 5.374 12.690 7.385 455 3HZ LYS 54 3HZ LYS 54 5.409 14.166 6.769 456 H ILE 55 H ILE 55 1.950 12.797 3.141 457 HA ILE 55 HA ILE 55 3.074 10.487 1.666 458 HB ILE 55 HB ILE 55 3.903 12.611 0.217 459 1HG1 ILE 55 2HG1 ILE 55 1.943 14.190 0.065 460 2HG1 ILE 55 1HG1 ILE 55 1.295 13.445 1.526 461 1HG2 ILE 55 1HG2 ILE 55 2.288 11.968 -1.360 462 2HG2 ILE 55 2HG2 ILE 55 1.071 11.649 -0.125 463 3HG2 ILE 55 3HG2 ILE 55 2.424 10.538 -0.338 464 1HD1 ILE 55 1HD1 ILE 55 3.201 14.136 2.820 465 2HD1 ILE 55 2HD1 ILE 55 2.653 15.550 1.920 466 3HD1 ILE 55 3HD1 ILE 55 4.068 14.650 1.373 467 H SER 56 H SER 56 4.815 9.915 2.858 468 HA SER 56 HA SER 56 6.581 12.014 3.882 469 1HB SER 56 2HB SER 56 6.310 9.071 4.459 470 2HB SER 56 1HB SER 56 7.671 10.024 5.045 471 HG SER 56 HG SER 56 4.943 10.172 5.691 472 HA PRO 57 HA PRO 57 9.345 9.689 1.068 473 1HB PRO 57 2HB PRO 57 8.203 8.849 -1.391 474 2HB PRO 57 1HB PRO 57 8.719 7.855 -0.026 475 1HG PRO 57 2HG PRO 57 6.042 8.424 -0.895 476 2HG PRO 57 1HG PRO 57 6.553 7.306 0.346 477 1HD PRO 57 2HD PRO 57 5.343 9.903 0.696 478 2HD PRO 57 1HD PRO 57 5.838 8.759 1.949 479 H GLU 58 H GLU 58 8.617 12.338 1.164 480 HA GLU 58 HA GLU 58 8.745 13.323 -1.604 481 1HB GLU 58 2HB GLU 58 7.366 14.247 0.588 482 2HB GLU 58 1HB GLU 58 8.807 15.263 0.617 483 1HG GLU 58 2HG GLU 58 7.462 14.846 -2.016 484 2HG GLU 58 1HG GLU 58 6.675 15.915 -0.854 485 H GLY 59 H GLY 59 10.580 13.069 1.390 486 1HA GLY 59 2HA GLY 59 12.956 13.991 -0.100 487 2HA GLY 59 1HA GLY 59 12.636 14.575 1.537 488 H LYS 60 H LYS 60 11.999 11.328 0.328 489 HA LYS 60 HA LYS 60 13.668 10.244 2.485 490 1HB LYS 60 2HB LYS 60 11.654 8.992 0.572 491 2HB LYS 60 1HB LYS 60 12.509 8.081 1.815 492 1HG LYS 60 2HG LYS 60 10.762 10.497 2.362 493 2HG LYS 60 1HG LYS 60 10.249 8.821 2.558 494 1HD LYS 60 2HD LYS 60 12.088 8.462 4.183 495 2HD LYS 60 1HD LYS 60 12.549 10.156 4.016 496 1HE LYS 60 2HE LYS 60 9.692 9.746 4.600 497 2HE LYS 60 1HE LYS 60 10.773 9.203 5.883 498 1HZ LYS 60 1HZ LYS 60 10.262 11.844 4.968 499 2HZ LYS 60 2HZ LYS 60 11.813 11.533 5.214 500 3HZ LYS 60 3HZ LYS 60 10.761 11.345 6.406 501 H ALA 61 H ALA 61 13.782 7.783 0.558 502 HA ALA 61 HA ALA 61 15.862 8.760 -1.256 503 1HB ALA 61 1HB ALA 61 16.523 7.420 1.040 504 2HB ALA 61 2HB ALA 61 17.474 7.353 -0.444 505 3HB ALA 61 3HB ALA 61 16.307 6.080 -0.086 506 H LYS 62 H LYS 62 12.992 7.248 -0.765 507 HA LYS 62 HA LYS 62 12.954 6.131 -3.390 508 1HB LYS 62 2HB LYS 62 12.059 3.903 -2.075 509 2HB LYS 62 1HB LYS 62 13.651 4.116 -2.751 510 1HG LYS 62 2HG LYS 62 13.766 3.364 -0.385 511 2HG LYS 62 1HG LYS 62 14.544 4.920 -0.640 512 1HD LYS 62 2HD LYS 62 12.892 6.090 0.501 513 2HD LYS 62 1HD LYS 62 11.658 4.877 0.176 514 1HE LYS 62 2HE LYS 62 13.145 3.332 1.672 515 2HE LYS 62 1HE LYS 62 13.859 4.843 2.230 516 1HZ LYS 62 1HZ LYS 62 11.125 5.120 2.237 517 2HZ LYS 62 2HZ LYS 62 12.109 5.105 3.498 518 3HZ LYS 62 3HZ LYS 62 11.451 3.741 2.982 519 H ILE 63 H ILE 63 10.669 4.689 -1.453 520 HA ILE 63 HA ILE 63 8.841 6.912 -1.469 521 HB ILE 63 HB ILE 63 7.319 6.232 -3.105 522 1HG1 ILE 63 2HG1 ILE 63 7.243 3.775 -2.652 523 2HG1 ILE 63 1HG1 ILE 63 7.532 4.094 -4.353 524 1HG2 ILE 63 1HG2 ILE 63 9.333 7.193 -4.109 525 2HG2 ILE 63 2HG2 ILE 63 8.694 5.926 -5.155 526 3HG2 ILE 63 3HG2 ILE 63 10.096 5.599 -4.143 527 1HD1 ILE 63 1HD1 ILE 63 9.277 2.843 -2.382 528 2HD1 ILE 63 2HD1 ILE 63 10.075 4.110 -3.311 529 3HD1 ILE 63 3HD1 ILE 63 9.329 2.754 -4.141 530 H GLN 64 H GLN 64 8.603 6.354 0.901 531 HA GLN 64 HA GLN 64 7.060 3.861 1.237 532 1HB GLN 64 2HB GLN 64 7.748 3.864 3.534 533 2HB GLN 64 1HB GLN 64 9.203 4.180 2.589 534 1HG GLN 64 2HG GLN 64 9.008 6.574 3.011 535 2HG GLN 64 1HG GLN 64 7.480 6.329 3.855 536 1HE2 GLN 64 1HE2 GLN 64 9.904 3.875 4.361 537 2HE2 GLN 64 2HE2 GLN 64 10.365 4.369 5.918 538 H LEU 65 H LEU 65 4.904 4.122 1.824 539 HA LEU 65 HA LEU 65 4.116 6.921 2.263 540 1HB LEU 65 2HB LEU 65 1.871 6.215 1.440 541 2HB LEU 65 1HB LEU 65 3.167 6.067 0.260 542 HG LEU 65 HG LEU 65 1.491 4.125 0.414 543 1HD1 LEU 65 1HD1 LEU 65 3.844 2.596 0.758 544 2HD1 LEU 65 2HD1 LEU 65 4.341 4.139 0.050 545 3HD1 LEU 65 3HD1 LEU 65 3.127 3.148 -0.759 546 1HD2 LEU 65 1HD2 LEU 65 3.156 3.373 2.812 547 2HD2 LEU 65 2HD2 LEU 65 1.788 2.488 2.149 548 3HD2 LEU 65 3HD2 LEU 65 1.535 4.047 2.937 549 H GLN 66 H GLN 66 1.975 7.167 3.478 550 HA GLN 66 HA GLN 66 1.864 5.291 5.751 551 1HB GLN 66 2HB GLN 66 2.482 8.197 5.754 552 2HB GLN 66 1HB GLN 66 1.385 7.621 7.010 553 1HG GLN 66 2HG GLN 66 3.064 6.616 8.131 554 2HG GLN 66 1HG GLN 66 3.647 5.822 6.667 555 1HE2 GLN 66 1HE2 GLN 66 3.670 9.071 8.238 556 2HE2 GLN 66 2HE2 GLN 66 5.207 9.500 7.660 557 H LEU 67 H LEU 67 -0.139 4.687 6.152 558 HA LEU 67 HA LEU 67 -2.423 6.425 5.423 559 1HB LEU 67 2HB LEU 67 -2.534 4.766 3.738 560 2HB LEU 67 1HB LEU 67 -1.897 3.515 4.797 561 HG LEU 67 HG LEU 67 -4.279 4.306 6.041 562 1HD1 LEU 67 1HD1 LEU 67 -5.398 5.372 4.346 563 2HD1 LEU 67 2HD1 LEU 67 -5.736 3.714 3.840 564 3HD1 LEU 67 3HD1 LEU 67 -4.417 4.618 3.088 565 1HD2 LEU 67 1HD2 LEU 67 -5.045 2.070 4.847 566 2HD2 LEU 67 2HD2 LEU 67 -3.770 2.033 6.067 567 3HD2 LEU 67 3HD2 LEU 67 -3.352 2.006 4.354 568 H VAL 68 H VAL 68 -3.835 6.601 7.198 569 HA VAL 68 HA VAL 68 -3.063 4.860 9.445 570 HB VAL 68 HB VAL 68 -4.506 7.463 9.806 571 1HG1 VAL 68 1HG1 VAL 68 -3.390 7.342 12.004 572 2HG1 VAL 68 2HG1 VAL 68 -2.660 5.812 11.528 573 3HG1 VAL 68 3HG1 VAL 68 -4.412 5.936 11.724 574 1HG2 VAL 68 1HG2 VAL 68 -2.629 8.637 9.400 575 2HG2 VAL 68 2HG2 VAL 68 -1.950 7.166 8.699 576 3HG2 VAL 68 3HG2 VAL 68 -1.696 7.528 10.406 577 H LEU 69 H LEU 69 -4.609 4.246 10.876 578 HA LEU 69 HA LEU 69 -7.011 3.284 9.607 579 1HB LEU 69 2HB LEU 69 -5.784 3.008 12.360 580 2HB LEU 69 1HB LEU 69 -7.244 2.165 11.869 581 HG LEU 69 HG LEU 69 -4.889 0.990 11.674 582 1HD1 LEU 69 1HD1 LEU 69 -5.748 -0.033 9.428 583 2HD1 LEU 69 2HD1 LEU 69 -7.181 0.941 9.802 584 3HD1 LEU 69 3HD1 LEU 69 -6.630 -0.287 10.942 585 1HD2 LEU 69 1HD2 LEU 69 -3.936 1.186 9.397 586 2HD2 LEU 69 2HD2 LEU 69 -3.767 2.675 10.314 587 3HD2 LEU 69 3HD2 LEU 69 -5.018 2.539 9.084 588 H HIS 70 H HIS 70 -9.178 3.900 10.300 589 HA HIS 70 HA HIS 70 -9.604 6.544 11.071 590 1HB HIS 70 2HB HIS 70 -11.794 5.496 12.137 591 2HB HIS 70 1HB HIS 70 -11.576 5.489 10.387 592 HD1 HIS 70 HD1 HIS 70 -10.990 3.211 13.383 593 HD2 HIS 70 HD2 HIS 70 -11.592 2.957 9.267 594 HE1 HIS 70 HE1 HIS 70 -11.195 0.745 12.841 595 H ALA 71 H ALA 71 -8.923 3.666 12.845 596 HA ALA 71 HA ALA 71 -9.245 4.783 15.484 597 1HB ALA 71 1HB ALA 71 -7.580 2.379 14.688 598 2HB ALA 71 2HB ALA 71 -9.328 2.303 14.910 599 3HB ALA 71 3HB ALA 71 -8.284 2.720 16.268 600 H GLY 72 H GLY 72 -6.632 3.841 16.507 601 1HA GLY 72 2HA GLY 72 -5.025 6.099 15.521 602 2HA GLY 72 1HA GLY 72 -4.927 5.403 17.141 603 H ASP 73 H ASP 73 -4.927 4.091 13.961 604 HA ASP 73 HA ASP 73 -2.340 2.752 14.563 605 1HB ASP 73 2HB ASP 73 -4.879 1.652 13.409 606 2HB ASP 73 1HB ASP 73 -3.335 0.955 12.914 607 H THR 74 H THR 74 -0.840 2.796 12.962 608 HA THR 74 HA THR 74 -1.604 4.367 10.589 609 HB THR 74 HB THR 74 1.253 3.990 11.025 610 HG1 THR 74 HG1 THR 74 1.307 5.261 12.914 611 1HG2 THR 74 1HG2 THR 74 -0.196 5.738 9.671 612 2HG2 THR 74 2HG2 THR 74 1.328 6.227 10.412 613 3HG2 THR 74 3HG2 THR 74 -0.201 6.603 11.207 614 H THR 75 H THR 75 -0.532 3.718 8.554 615 HA THR 75 HA THR 75 0.287 0.902 8.514 616 HB THR 75 HB THR 75 -1.615 2.251 6.566 617 HG1 THR 75 HG1 THR 75 -1.990 0.306 8.589 618 1HG2 THR 75 1HG2 THR 75 -0.718 -0.637 6.737 619 2HG2 THR 75 2HG2 THR 75 -0.041 0.542 5.613 620 3HG2 THR 75 3HG2 THR 75 -1.740 0.084 5.493 621 H ASN 76 H ASN 76 2.467 1.329 7.984 622 HA ASN 76 HA ASN 76 2.906 3.367 5.890 623 1HB ASN 76 2HB ASN 76 4.959 2.199 7.780 624 2HB ASN 76 1HB ASN 76 5.113 3.643 6.779 625 1HD2 ASN 76 1HD2 ASN 76 2.190 4.337 7.501 626 2HD2 ASN 76 2HD2 ASN 76 2.304 5.004 9.058 627 H PHE 77 H PHE 77 4.196 2.778 4.085 628 HA PHE 77 HA PHE 77 5.228 0.078 4.041 629 1HB PHE 77 2HB PHE 77 2.660 0.659 2.942 630 2HB PHE 77 1HB PHE 77 3.779 0.261 1.637 631 HD1 PHE 77 HD1 PHE 77 5.625 -1.519 2.564 632 HD2 PHE 77 HD2 PHE 77 1.515 -1.276 3.710 633 HE1 PHE 77 HE1 PHE 77 5.699 -3.877 3.247 634 HE2 PHE 77 HE2 PHE 77 1.567 -3.655 4.382 635 HZ PHE 77 HZ PHE 77 3.690 -4.948 4.136 636 H HIS 78 H HIS 78 6.826 -0.193 2.685 637 HA HIS 78 HA HIS 78 7.577 2.124 0.992 638 1HB HIS 78 2HB HIS 78 8.898 2.262 2.978 639 2HB HIS 78 1HB HIS 78 9.292 0.564 2.926 640 HD1 HIS 78 HD1 HIS 78 10.983 -0.233 1.227 641 HD2 HIS 78 HD2 HIS 78 10.335 3.864 1.100 642 HE1 HIS 78 HE1 HIS 78 12.710 0.705 -0.317 643 H PHE 79 H PHE 79 9.290 1.691 -0.592 644 HA PHE 79 HA PHE 79 9.553 -1.074 -1.579 645 1HB PHE 79 2HB PHE 79 8.739 1.222 -3.358 646 2HB PHE 79 1HB PHE 79 8.780 -0.477 -3.767 647 HD1 PHE 79 HD1 PHE 79 6.967 2.125 -1.801 648 HD2 PHE 79 HD2 PHE 79 6.867 -1.864 -3.404 649 HE1 PHE 79 HE1 PHE 79 4.513 1.997 -1.344 650 HE2 PHE 79 HE2 PHE 79 4.454 -1.989 -2.914 651 HZ PHE 79 HZ PHE 79 3.281 -0.081 -1.912 652 H SER 80 H SER 80 11.947 -1.187 -2.280 653 HA SER 80 HA SER 80 12.982 0.784 -3.898 654 1HB SER 80 2HB SER 80 12.921 2.122 -1.696 655 2HB SER 80 1HB SER 80 14.228 1.046 -1.199 656 HG SER 80 HG SER 80 15.142 2.820 -2.179 657 H ASN 81 H ASN 81 13.164 -1.746 -4.284 658 HA ASN 81 HA ASN 81 15.202 -3.214 -2.986 659 1HB ASN 81 2HB ASN 81 14.601 -3.571 -5.914 660 2HB ASN 81 1HB ASN 81 14.932 -4.801 -4.690 661 1HD2 ASN 81 1HD2 ASN 81 13.087 -3.363 -2.751 662 2HD2 ASN 81 2HD2 ASN 81 11.526 -3.743 -3.267 663 H GLU 82 H GLU 82 16.495 -3.624 -5.914 664 HA GLU 82 HA GLU 82 18.893 -2.297 -5.424 665 1HB GLU 82 2HB GLU 82 17.512 -3.336 -7.851 666 2HB GLU 82 1HB GLU 82 18.774 -2.137 -8.137 667 1HG GLU 82 2HG GLU 82 19.671 -4.457 -8.151 668 2HG GLU 82 1HG GLU 82 20.378 -3.480 -6.864 669 H SER 83 H SER 83 16.745 -1.129 -8.021 670 HA SER 83 HA SER 83 16.652 1.481 -6.701 671 1HB SER 83 2HB SER 83 17.307 1.123 -9.636 672 2HB SER 83 1HB SER 83 17.258 2.630 -8.727 673 HG SER 83 HG SER 83 19.063 1.991 -7.604 674 H THR 84 H THR 84 14.632 -0.351 -6.619 675 HA THR 84 HA THR 84 12.974 -0.034 -8.983 676 HB THR 84 HB THR 84 11.408 -1.493 -7.776 677 HG1 THR 84 HG1 THR 84 11.824 -0.615 -5.697 678 1HG2 THR 84 1HG2 THR 84 12.911 -3.439 -7.504 679 2HG2 THR 84 2HG2 THR 84 14.303 -2.356 -7.529 680 3HG2 THR 84 3HG2 THR 84 13.292 -2.526 -8.964 681 H ALA 85 H ALA 85 13.236 1.538 -5.838 682 HA ALA 85 HA ALA 85 10.624 2.468 -5.637 683 1HB ALA 85 1HB ALA 85 13.236 3.789 -4.812 684 2HB ALA 85 2HB ALA 85 12.262 2.711 -3.817 685 3HB ALA 85 3HB ALA 85 11.639 4.297 -4.269 686 H VAL 86 H VAL 86 10.162 2.827 -7.800 687 HA VAL 86 HA VAL 86 10.597 5.602 -8.597 688 HB VAL 86 HB VAL 86 11.006 3.548 -10.744 689 1HG1 VAL 86 1HG1 VAL 86 11.538 5.386 -11.939 690 2HG1 VAL 86 2HG1 VAL 86 12.699 5.908 -10.719 691 3HG1 VAL 86 3HG1 VAL 86 10.999 6.350 -10.564 692 1HG2 VAL 86 1HG2 VAL 86 13.089 4.481 -8.747 693 2HG2 VAL 86 2HG2 VAL 86 13.484 3.722 -10.289 694 3HG2 VAL 86 3HG2 VAL 86 12.593 2.819 -9.063 695 H LYS 87 H LYS 87 9.525 4.829 -11.338 696 HA LYS 87 HA LYS 87 6.872 5.392 -10.974 697 1HB LYS 87 2HB LYS 87 8.480 4.150 -13.094 698 2HB LYS 87 1HB LYS 87 6.783 3.667 -13.117 699 1HG LYS 87 2HG LYS 87 6.145 5.685 -13.887 700 2HG LYS 87 1HG LYS 87 7.035 6.512 -12.608 701 1HD LYS 87 2HD LYS 87 8.882 5.392 -14.528 702 2HD LYS 87 1HD LYS 87 7.699 6.411 -15.350 703 1HE LYS 87 2HE LYS 87 8.750 7.528 -12.825 704 2HE LYS 87 1HE LYS 87 9.941 7.368 -14.115 705 1HZ LYS 87 1HZ LYS 87 7.522 8.397 -15.068 706 2HZ LYS 87 2HZ LYS 87 8.989 9.026 -15.173 707 3HZ LYS 87 3HZ LYS 87 8.086 9.318 -13.886 708 H GLU 88 H GLU 88 8.376 2.153 -10.869 709 HA GLU 88 HA GLU 88 6.077 0.600 -10.755 710 1HB GLU 88 2HB GLU 88 7.593 -0.710 -8.972 711 2HB GLU 88 1HB GLU 88 7.948 -0.744 -10.688 712 1HG GLU 88 2HG GLU 88 9.135 1.561 -9.330 713 2HG GLU 88 1HG GLU 88 9.711 0.011 -8.720 714 H ARG 89 H ARG 89 7.915 1.353 -7.852 715 HA ARG 89 HA ARG 89 5.778 0.938 -6.070 716 1HB ARG 89 2HB ARG 89 8.051 2.816 -5.483 717 2HB ARG 89 1HB ARG 89 7.286 1.641 -4.414 718 1HG ARG 89 2HG ARG 89 9.200 1.100 -6.701 719 2HG ARG 89 1HG ARG 89 9.442 0.737 -5.004 720 1HD ARG 89 2HD ARG 89 7.542 -0.865 -5.088 721 2HD ARG 89 1HD ARG 89 7.358 -0.527 -6.808 722 HE ARG 89 HE ARG 89 9.973 -1.264 -6.583 723 1HH1 ARG 89 1HH2 ARG 89 6.930 -2.563 -5.584 724 2HH1 ARG 89 2HH2 ARG 89 7.441 -4.210 -5.729 725 1HH2 ARG 89 1HH1 ARG 89 10.647 -3.412 -6.776 726 2HH2 ARG 89 2HH1 ARG 89 9.540 -4.691 -6.403 727 H ASP 90 H ASP 90 7.345 3.901 -7.139 728 HA ASP 90 HA ASP 90 5.863 5.904 -6.084 729 1HB ASP 90 2HB ASP 90 7.605 6.323 -7.772 730 2HB ASP 90 1HB ASP 90 6.559 5.662 -9.029 731 H ALA 91 H ALA 91 4.857 3.958 -8.908 732 HA ALA 91 HA ALA 91 2.307 5.138 -9.172 733 1HB ALA 91 1HB ALA 91 3.436 2.435 -9.919 734 2HB ALA 91 2HB ALA 91 3.075 3.795 -10.982 735 3HB ALA 91 3HB ALA 91 1.761 2.871 -10.254 736 H VAL 92 H VAL 92 3.308 2.090 -7.565 737 HA VAL 92 HA VAL 92 0.987 1.172 -6.493 738 HB VAL 92 HB VAL 92 3.629 1.539 -5.051 739 1HG1 VAL 92 1HG1 VAL 92 0.989 0.628 -4.074 740 2HG1 VAL 92 2HG1 VAL 92 2.369 1.250 -3.172 741 3HG1 VAL 92 3HG1 VAL 92 2.338 -0.440 -3.690 742 1HG2 VAL 92 1HG2 VAL 92 2.281 -0.683 -6.561 743 2HG2 VAL 92 2HG2 VAL 92 3.427 -1.061 -5.269 744 3HG2 VAL 92 3HG2 VAL 92 3.950 -0.116 -6.668 745 H LYS 93 H LYS 93 2.967 3.652 -4.845 746 HA LYS 93 HA LYS 93 0.985 4.329 -2.951 747 1HB LYS 93 2HB LYS 93 3.395 5.001 -2.840 748 2HB LYS 93 1HB LYS 93 3.099 6.136 -4.159 749 1HG LYS 93 2HG LYS 93 1.458 7.331 -2.805 750 2HG LYS 93 1HG LYS 93 1.636 6.156 -1.503 751 1HD LYS 93 2HD LYS 93 2.998 8.035 -0.898 752 2HD LYS 93 1HD LYS 93 4.109 6.778 -1.444 753 1HE LYS 93 2HE LYS 93 4.636 9.026 -2.406 754 2HE LYS 93 1HE LYS 93 4.278 7.818 -3.640 755 1HZ LYS 93 1HZ LYS 93 3.106 10.138 -3.573 756 2HZ LYS 93 2HZ LYS 93 2.068 9.343 -2.650 757 3HZ LYS 93 3HZ LYS 93 2.366 8.835 -4.138 758 H ASP 94 H ASP 94 1.895 5.805 -6.049 759 HA ASP 94 HA ASP 94 0.023 7.797 -6.279 760 1HB ASP 94 2HB ASP 94 1.900 6.751 -7.925 761 2HB ASP 94 1HB ASP 94 0.435 6.169 -8.716 762 H LEU 95 H LEU 95 -0.614 4.373 -6.231 763 HA LEU 95 HA LEU 95 -3.242 4.773 -7.470 764 1HB LEU 95 2HB LEU 95 -2.336 2.258 -6.076 765 2HB LEU 95 1HB LEU 95 -3.487 2.430 -7.399 766 HG LEU 95 HG LEU 95 -0.483 2.636 -7.503 767 1HD1 LEU 95 1HD1 LEU 95 -0.628 0.622 -8.501 768 2HD1 LEU 95 2HD1 LEU 95 -1.889 1.189 -9.596 769 3HD1 LEU 95 3HD1 LEU 95 -2.316 0.591 -7.993 770 1HD2 LEU 95 1HD2 LEU 95 -0.710 3.406 -9.827 771 2HD2 LEU 95 2HD2 LEU 95 -1.479 4.560 -8.738 772 3HD2 LEU 95 3HD2 LEU 95 -2.466 3.429 -9.663 773 H LEU 96 H LEU 96 -1.711 3.900 -4.409 774 HA LEU 96 HA LEU 96 -3.759 3.510 -2.696 775 1HB LEU 96 2HB LEU 96 -1.393 5.375 -2.296 776 2HB LEU 96 1HB LEU 96 -2.344 4.666 -1.004 777 HG LEU 96 HG LEU 96 -0.444 3.310 -2.916 778 1HD1 LEU 96 1HD1 LEU 96 -0.525 3.970 -0.117 779 2HD1 LEU 96 2HD1 LEU 96 0.796 3.275 -1.061 780 3HD1 LEU 96 3HD1 LEU 96 -0.406 2.220 -0.314 781 1HD2 LEU 96 1HD2 LEU 96 -2.761 2.064 -1.418 782 2HD2 LEU 96 2HD2 LEU 96 -1.375 1.133 -1.989 783 3HD2 LEU 96 3HD2 LEU 96 -2.415 1.967 -3.145 784 H GLN 97 H GLN 97 -2.450 6.766 -3.357 785 HA GLN 97 HA GLN 97 -4.707 8.102 -2.180 786 1HB GLN 97 2HB GLN 97 -2.730 9.290 -4.139 787 2HB GLN 97 1HB GLN 97 -3.699 10.141 -2.939 788 1HG GLN 97 2HG GLN 97 -1.944 9.937 -1.541 789 2HG GLN 97 1HG GLN 97 -2.335 8.218 -1.457 790 1HE2 GLN 97 1HE2 GLN 97 -1.654 7.828 -4.373 791 2HE2 GLN 97 2HE2 GLN 97 0.040 7.814 -4.412 792 H GLN 98 H GLN 98 -4.561 6.355 -4.931 793 HA GLN 98 HA GLN 98 -6.245 8.127 -6.536 794 1HB GLN 98 2HB GLN 98 -4.284 6.591 -7.384 795 2HB GLN 98 1HB GLN 98 -5.494 5.311 -7.273 796 1HG GLN 98 2HG GLN 98 -6.941 7.232 -8.543 797 2HG GLN 98 1HG GLN 98 -5.328 7.589 -9.161 798 1HE2 GLN 98 1HE2 GLN 98 -6.803 4.417 -8.297 799 2HE2 GLN 98 2HE2 GLN 98 -6.587 3.731 -9.835 800 H LEU 99 H LEU 99 -6.314 5.310 -4.467 801 HA LEU 99 HA LEU 99 -9.106 4.728 -5.170 802 1HB LEU 99 2HB LEU 99 -7.704 3.400 -2.887 803 2HB LEU 99 1HB LEU 99 -8.833 2.709 -4.048 804 HG LEU 99 HG LEU 99 -6.624 3.513 -5.587 805 1HD1 LEU 99 1HD1 LEU 99 -5.559 1.814 -3.375 806 2HD1 LEU 99 2HD1 LEU 99 -5.615 3.562 -3.130 807 3HD1 LEU 99 3HD1 LEU 99 -4.696 2.881 -4.472 808 1HD2 LEU 99 1HD2 LEU 99 -7.140 1.456 -6.342 809 2HD2 LEU 99 2HD2 LEU 99 -8.065 1.122 -4.877 810 3HD2 LEU 99 3HD2 LEU 99 -6.333 0.782 -4.925 811 H LEU 100 H LEU 100 -7.187 6.367 -2.794 812 HA LEU 100 HA LEU 100 -8.712 6.336 -0.544 813 1HB LEU 100 2HB LEU 100 -6.627 7.583 -0.644 814 2HB LEU 100 1HB LEU 100 -7.329 8.740 -1.762 815 HG LEU 100 HG LEU 100 -7.234 9.423 0.714 816 1HD1 LEU 100 1HD1 LEU 100 -10.042 9.733 0.202 817 2HD1 LEU 100 2HD1 LEU 100 -9.164 9.872 -1.322 818 3HD1 LEU 100 3HD1 LEU 100 -8.755 10.927 0.031 819 1HD2 LEU 100 1HD2 LEU 100 -9.161 8.569 2.062 820 2HD2 LEU 100 2HD2 LEU 100 -7.984 7.311 1.684 821 3HD2 LEU 100 3HD2 LEU 100 -9.497 7.402 0.783 822 HA PRO 101 HA PRO 101 -11.580 9.547 -2.712 823 1HB PRO 101 2HB PRO 101 -11.355 8.445 -5.457 824 2HB PRO 101 1HB PRO 101 -11.509 10.133 -4.945 825 1HG PRO 101 2HG PRO 101 -9.173 8.983 -5.832 826 2HG PRO 101 1HG PRO 101 -9.229 10.381 -4.744 827 1HD PRO 101 2HD PRO 101 -8.400 7.649 -4.164 828 2HD PRO 101 1HD PRO 101 -8.225 9.107 -3.174 829 H LYS 102 H LYS 102 -11.301 6.204 -2.824 830 HA LYS 102 HA LYS 102 -13.914 5.617 -3.943 831 1HB LYS 102 2HB LYS 102 -12.082 4.084 -4.325 832 2HB LYS 102 1HB LYS 102 -11.791 3.962 -2.588 833 1HG LYS 102 2HG LYS 102 -13.390 2.421 -2.313 834 2HG LYS 102 1HG LYS 102 -14.551 3.332 -3.286 835 1HD LYS 102 2HD LYS 102 -12.731 2.456 -5.173 836 2HD LYS 102 1HD LYS 102 -12.814 1.094 -4.056 837 1HE LYS 102 2HE LYS 102 -15.265 2.455 -5.203 838 2HE LYS 102 1HE LYS 102 -14.524 1.024 -5.920 839 1HZ LYS 102 1HZ LYS 102 -16.318 0.544 -4.352 840 2HZ LYS 102 2HZ LYS 102 -15.444 1.153 -3.158 841 3HZ LYS 102 3HZ LYS 102 -14.936 -0.149 -3.936 842 H PHE 103 H PHE 103 -12.407 5.419 -0.727 843 HA PHE 103 HA PHE 103 -15.053 4.761 0.378 844 1HB PHE 103 2HB PHE 103 -13.361 4.421 2.494 845 2HB PHE 103 1HB PHE 103 -13.708 3.149 1.323 846 HD1 PHE 103 HD1 PHE 103 -12.251 2.965 -0.732 847 HD2 PHE 103 HD2 PHE 103 -11.182 5.330 2.687 848 HE1 PHE 103 HE1 PHE 103 -9.927 3.069 -1.542 849 HE2 PHE 103 HE2 PHE 103 -8.835 5.425 1.888 850 HZ PHE 103 HZ PHE 103 -8.209 4.304 -0.233 851 H LYS 104 H LYS 104 -13.214 7.409 -0.174 852 HA LYS 104 HA LYS 104 -13.737 8.738 2.378 853 1HB LYS 104 2HB LYS 104 -11.778 9.017 0.447 854 2HB LYS 104 1HB LYS 104 -12.828 10.397 0.147 855 1HG LYS 104 2HG LYS 104 -11.018 10.874 1.810 856 2HG LYS 104 1HG LYS 104 -12.640 11.098 2.467 857 1HD LYS 104 2HD LYS 104 -12.037 8.384 2.894 858 2HD LYS 104 1HD LYS 104 -10.572 9.259 3.319 859 1HE LYS 104 2HE LYS 104 -11.521 9.974 5.234 860 2HE LYS 104 1HE LYS 104 -12.840 10.708 4.324 861 1HZ LYS 104 1HZ LYS 104 -13.263 8.773 5.961 862 2HZ LYS 104 2HZ LYS 104 -12.881 7.859 4.704 863 3HZ LYS 104 3HZ LYS 104 -14.105 8.884 4.604 864 H ARG 105 H ARG 105 -14.176 11.302 1.080 865 HA ARG 105 HA ARG 105 -16.891 10.890 -0.017 866 1HB ARG 105 2HB ARG 105 -17.032 11.523 2.382 867 2HB ARG 105 1HB ARG 105 -16.099 12.979 2.034 868 1HG ARG 105 2HG ARG 105 -17.845 13.695 0.424 869 2HG ARG 105 1HG ARG 105 -18.787 12.261 0.827 870 1HD ARG 105 2HD ARG 105 -19.551 13.179 2.739 871 2HD ARG 105 1HD ARG 105 -17.950 13.746 3.206 872 HE ARG 105 HE ARG 105 -20.016 15.338 2.177 873 1HH1 ARG 105 1HH2 ARG 105 -16.655 14.712 1.615 874 2HH1 ARG 105 2HH2 ARG 105 -16.413 16.172 0.722 875 1HH2 ARG 105 1HH1 ARG 105 -19.690 17.240 1.037 876 2HH2 ARG 105 2HH1 ARG 105 -18.119 17.602 0.402 877 H LYS 106 H LYS 106 -16.539 11.551 -2.113 878 HA LYS 106 HA LYS 106 -14.741 13.744 -2.693 879 1HB LYS 106 2HB LYS 106 -16.715 12.497 -4.606 880 2HB LYS 106 1HB LYS 106 -15.164 13.253 -4.972 881 1HG LYS 106 2HG LYS 106 -14.089 11.294 -4.707 882 2HG LYS 106 1HG LYS 106 -14.782 11.089 -3.098 883 1HD LYS 106 2HD LYS 106 -15.558 9.220 -4.356 884 2HD LYS 106 1HD LYS 106 -16.925 10.332 -4.282 885 1HE LYS 106 2HE LYS 106 -16.046 11.276 -6.515 886 2HE LYS 106 1HE LYS 106 -15.056 9.819 -6.597 887 1HZ LYS 106 1HZ LYS 106 -16.946 9.139 -7.599 888 2HZ LYS 106 2HZ LYS 106 -17.923 10.063 -6.730 889 3HZ LYS 106 3HZ LYS 106 -17.315 8.725 -6.097 890 H ALA 107 H ALA 107 -18.148 13.285 -3.684 891 HA ALA 107 HA ALA 107 -18.548 16.151 -3.050 892 1HB ALA 107 1HB ALA 107 -18.619 15.763 -5.463 893 2HB ALA 107 2HB ALA 107 -20.240 16.134 -4.876 894 3HB ALA 107 3HB ALA 107 -19.795 14.467 -5.241 895 H ASN 108 H ASN 108 -20.375 13.098 -3.515 896 HA ASN 108 HA ASN 108 -22.223 14.048 -1.417 897 1HB ASN 108 2HB ASN 108 -22.595 12.707 -3.923 898 2HB ASN 108 1HB ASN 108 -23.137 11.638 -2.628 899 1HD2 ASN 108 1HD2 ASN 108 -25.138 12.122 -1.656 900 2HD2 ASN 108 2HD2 ASN 108 -26.020 13.542 -1.946 Start of MODEL 6 1 1H MET 1 1H MET 1 -17.269 -14.877 -16.317 2 2H MET 1 2H MET 1 -16.574 -13.465 -16.607 3 3H MET 1 3H MET 1 -17.940 -13.850 -17.346 4 HA MET 1 HA MET 1 -17.796 -12.348 -15.161 5 1HB MET 1 2HB MET 1 -19.715 -12.824 -16.842 6 2HB MET 1 1HB MET 1 -20.172 -14.117 -15.732 7 1HG MET 1 2HG MET 1 -20.086 -12.336 -13.881 8 2HG MET 1 1HG MET 1 -20.049 -11.149 -15.184 9 1HE MET 1 1HE MET 1 -21.494 -13.620 -13.209 10 2HE MET 1 2HE MET 1 -22.819 -14.368 -14.096 11 3HE MET 1 3HE MET 1 -23.143 -13.005 -13.028 12 H ALA 2 H ALA 2 -16.247 -14.730 -14.568 13 HA ALA 2 HA ALA 2 -17.557 -15.412 -12.031 14 1HB ALA 2 1HB ALA 2 -16.928 -17.821 -12.382 15 2HB ALA 2 2HB ALA 2 -16.542 -17.424 -14.057 16 3HB ALA 2 3HB ALA 2 -18.196 -17.254 -13.469 17 H THR 3 H THR 3 -15.116 -13.891 -13.183 18 HA THR 3 HA THR 3 -12.791 -15.298 -12.388 19 HB THR 3 HB THR 3 -11.931 -12.830 -12.116 20 HG1 THR 3 HG1 THR 3 -13.993 -11.906 -11.997 21 1HG2 THR 3 1HG2 THR 3 -12.791 -13.093 -14.889 22 2HG2 THR 3 2HG2 THR 3 -12.166 -14.611 -14.245 23 3HG2 THR 3 3HG2 THR 3 -11.164 -13.160 -14.210 24 H SER 4 H SER 4 -11.452 -13.798 -10.547 25 HA SER 4 HA SER 4 -12.299 -14.757 -8.100 26 1HB SER 4 2HB SER 4 -10.183 -13.221 -8.996 27 2HB SER 4 1HB SER 4 -11.027 -12.123 -7.909 28 HG SER 4 HG SER 4 -10.674 -14.765 -7.086 29 H SER 5 H SER 5 -12.822 -13.062 -6.201 30 HA SER 5 HA SER 5 -15.370 -11.861 -7.001 31 1HB SER 5 2HB SER 5 -14.094 -12.546 -4.356 32 2HB SER 5 1HB SER 5 -15.526 -11.525 -4.448 33 HG SER 5 HG SER 5 -15.314 -14.071 -5.682 34 H GLU 6 H GLU 6 -12.799 -10.814 -4.733 35 HA GLU 6 HA GLU 6 -13.467 -8.068 -5.081 36 1HB GLU 6 2HB GLU 6 -10.798 -9.096 -4.124 37 2HB GLU 6 1HB GLU 6 -11.624 -7.608 -3.665 38 1HG GLU 6 2HG GLU 6 -12.296 -8.812 -1.854 39 2HG GLU 6 1HG GLU 6 -13.493 -9.470 -2.970 40 H GLU 7 H GLU 7 -11.971 -6.445 -5.976 41 HA GLU 7 HA GLU 7 -10.437 -7.519 -8.277 42 1HB GLU 7 2HB GLU 7 -11.778 -4.809 -8.213 43 2HB GLU 7 1HB GLU 7 -11.141 -5.677 -9.611 44 1HG GLU 7 2HG GLU 7 -13.143 -7.248 -8.187 45 2HG GLU 7 1HG GLU 7 -13.790 -5.699 -8.731 46 H VAL 8 H VAL 8 -8.201 -7.172 -7.725 47 HA VAL 8 HA VAL 8 -7.699 -4.925 -5.954 48 HB VAL 8 HB VAL 8 -5.980 -6.189 -5.150 49 1HG1 VAL 8 1HG1 VAL 8 -6.423 -8.491 -5.158 50 2HG1 VAL 8 2HG1 VAL 8 -6.911 -8.489 -6.851 51 3HG1 VAL 8 3HG1 VAL 8 -7.984 -7.814 -5.627 52 1HG2 VAL 8 1HG2 VAL 8 -5.398 -7.023 -8.013 53 2HG2 VAL 8 2HG2 VAL 8 -4.428 -7.502 -6.620 54 3HG2 VAL 8 3HG2 VAL 8 -4.532 -5.802 -7.079 55 H LEU 9 H LEU 9 -6.004 -3.438 -6.444 56 HA LEU 9 HA LEU 9 -5.907 -2.893 -9.326 57 1HB LEU 9 2HB LEU 9 -6.689 -1.060 -8.018 58 2HB LEU 9 1HB LEU 9 -5.343 -1.206 -6.888 59 HG LEU 9 HG LEU 9 -3.759 -0.529 -8.594 60 1HD1 LEU 9 1HD1 LEU 9 -4.247 -1.095 -10.724 61 2HD1 LEU 9 2HD1 LEU 9 -5.312 0.310 -10.763 62 3HD1 LEU 9 3HD1 LEU 9 -5.961 -1.277 -10.350 63 1HD2 LEU 9 1HD2 LEU 9 -4.617 1.756 -9.091 64 2HD2 LEU 9 2HD2 LEU 9 -4.915 1.288 -7.416 65 3HD2 LEU 9 3HD2 LEU 9 -6.228 1.238 -8.593 66 H LEU 10 H LEU 10 -3.516 -3.563 -6.652 67 HA LEU 10 HA LEU 10 -1.632 -4.299 -8.641 68 1HB LEU 10 2HB LEU 10 -1.461 -1.974 -9.188 69 2HB LEU 10 1HB LEU 10 -1.358 -1.518 -7.488 70 HG LEU 10 HG LEU 10 0.776 -2.811 -7.319 71 1HD1 LEU 10 1HD1 LEU 10 -0.069 -3.978 -9.667 72 2HD1 LEU 10 2HD1 LEU 10 1.573 -4.071 -9.031 73 3HD1 LEU 10 3HD1 LEU 10 1.162 -2.851 -10.236 74 1HD2 LEU 10 1HD2 LEU 10 0.661 -0.657 -9.455 75 2HD2 LEU 10 2HD2 LEU 10 2.134 -1.189 -8.645 76 3HD2 LEU 10 3HD2 LEU 10 0.857 -0.397 -7.722 77 H ILE 11 H ILE 11 0.226 -5.201 -7.732 78 HA ILE 11 HA ILE 11 0.543 -4.915 -4.828 79 HB ILE 11 HB ILE 11 -0.702 -6.901 -4.827 80 1HG1 ILE 11 2HG1 ILE 11 1.763 -7.021 -3.910 81 2HG1 ILE 11 1HG1 ILE 11 0.822 -8.497 -4.027 82 1HG2 ILE 11 1HG2 ILE 11 0.802 -7.637 -7.353 83 2HG2 ILE 11 2HG2 ILE 11 -0.906 -7.221 -7.220 84 3HG2 ILE 11 3HG2 ILE 11 -0.306 -8.721 -6.512 85 1HD1 ILE 11 1HD1 ILE 11 3.327 -8.109 -5.131 86 2HD1 ILE 11 2HD1 ILE 11 2.249 -7.868 -6.506 87 3HD1 ILE 11 3HD1 ILE 11 2.194 -9.378 -5.597 88 H VAL 12 H VAL 12 2.654 -5.056 -4.174 89 HA VAL 12 HA VAL 12 4.653 -5.704 -6.263 90 HB VAL 12 HB VAL 12 6.024 -4.076 -4.550 91 1HG1 VAL 12 1HG1 VAL 12 4.731 -3.805 -7.178 92 2HG1 VAL 12 2HG1 VAL 12 6.365 -3.365 -6.678 93 3HG1 VAL 12 3HG1 VAL 12 5.022 -2.262 -6.373 94 1HG2 VAL 12 1HG2 VAL 12 3.163 -3.094 -4.680 95 2HG2 VAL 12 2HG2 VAL 12 4.530 -2.075 -4.227 96 3HG2 VAL 12 3HG2 VAL 12 4.097 -3.466 -3.231 97 H LYS 13 H LYS 13 5.648 -7.565 -5.631 98 HA LYS 13 HA LYS 13 5.138 -8.705 -3.118 99 1HB LYS 13 2HB LYS 13 5.997 -10.006 -5.048 100 2HB LYS 13 1HB LYS 13 7.547 -9.180 -4.888 101 1HG LYS 13 2HG LYS 13 7.681 -10.046 -2.527 102 2HG LYS 13 1HG LYS 13 6.238 -11.005 -2.855 103 1HD LYS 13 2HD LYS 13 8.714 -11.166 -4.584 104 2HD LYS 13 1HD LYS 13 8.472 -12.206 -3.180 105 1HE LYS 13 2HE LYS 13 6.792 -13.406 -4.184 106 2HE LYS 13 1HE LYS 13 6.213 -12.020 -5.109 107 1HZ LYS 13 1HZ LYS 13 8.613 -12.434 -6.132 108 2HZ LYS 13 2HZ LYS 13 7.267 -13.035 -6.756 109 3HZ LYS 13 3HZ LYS 13 8.182 -13.941 -5.807 110 H LYS 14 H LYS 14 8.521 -7.964 -3.849 111 HA LYS 14 HA LYS 14 9.167 -7.562 -1.252 112 1HB LYS 14 2HB LYS 14 10.303 -6.468 -3.788 113 2HB LYS 14 1HB LYS 14 10.934 -5.912 -2.239 114 1HG LYS 14 2HG LYS 14 11.999 -8.022 -3.404 115 2HG LYS 14 1HG LYS 14 11.769 -7.993 -1.658 116 1HD LYS 14 2HD LYS 14 9.634 -9.207 -1.918 117 2HD LYS 14 1HD LYS 14 9.875 -9.252 -3.667 118 1HE LYS 14 2HE LYS 14 10.652 -11.362 -2.835 119 2HE LYS 14 1HE LYS 14 12.095 -10.417 -3.205 120 1HZ LYS 14 1HZ LYS 14 10.983 -10.279 -0.548 121 2HZ LYS 14 2HZ LYS 14 12.504 -10.109 -1.014 122 3HZ LYS 14 3HZ LYS 14 11.850 -11.567 -0.941 123 H VAL 15 H VAL 15 9.034 -6.105 0.179 124 HA VAL 15 HA VAL 15 8.572 -3.346 -0.446 125 HB VAL 15 HB VAL 15 6.274 -4.853 0.751 126 1HG1 VAL 15 1HG1 VAL 15 7.109 -2.997 2.369 127 2HG1 VAL 15 2HG1 VAL 15 5.435 -2.895 1.824 128 3HG1 VAL 15 3HG1 VAL 15 6.662 -1.870 1.087 129 1HG2 VAL 15 1HG2 VAL 15 5.692 -4.278 -1.369 130 2HG2 VAL 15 2HG2 VAL 15 6.928 -3.020 -1.463 131 3HG2 VAL 15 3HG2 VAL 15 5.398 -2.697 -0.645 132 H ARG 16 H ARG 16 9.040 -1.993 1.303 133 HA ARG 16 HA ARG 16 10.351 -3.437 3.538 134 1HB ARG 16 2HB ARG 16 11.938 -2.397 1.916 135 2HB ARG 16 1HB ARG 16 11.158 -0.851 2.168 136 1HG ARG 16 2HG ARG 16 12.869 -0.649 3.697 137 2HG ARG 16 1HG ARG 16 11.650 -1.410 4.720 138 1HD ARG 16 2HD ARG 16 13.880 -2.509 4.907 139 2HD ARG 16 1HD ARG 16 12.632 -3.606 4.315 140 HE ARG 16 HE ARG 16 13.693 -2.655 2.018 141 1HH1 ARG 16 1HH2 ARG 16 14.997 -3.975 4.937 142 2HH1 ARG 16 2HH2 ARG 16 16.367 -4.681 4.150 143 1HH2 ARG 16 1HH1 ARG 16 15.473 -3.572 0.993 144 2HH2 ARG 16 2HH1 ARG 16 16.636 -4.455 1.924 145 H GLN 17 H GLN 17 9.745 -2.783 5.472 146 HA GLN 17 HA GLN 17 8.500 -0.147 5.715 147 1HB GLN 17 2HB GLN 17 6.766 -1.215 7.225 148 2HB GLN 17 1HB GLN 17 6.602 -1.625 5.527 149 1HG GLN 17 2HG GLN 17 7.594 -3.761 5.820 150 2HG GLN 17 1HG GLN 17 8.093 -3.371 7.454 151 1HE2 GLN 17 1HE2 GLN 17 5.543 -2.071 8.227 152 2HE2 GLN 17 2HE2 GLN 17 4.390 -3.307 8.341 153 H LYS 18 H LYS 18 9.455 0.860 7.403 154 HA LYS 18 HA LYS 18 11.750 0.233 8.515 155 1HB LYS 18 2HB LYS 18 9.616 1.963 9.301 156 2HB LYS 18 1HB LYS 18 10.324 1.249 10.750 157 1HG LYS 18 2HG LYS 18 12.606 1.844 9.757 158 2HG LYS 18 1HG LYS 18 11.726 2.827 8.585 159 1HD LYS 18 2HD LYS 18 10.967 4.324 10.207 160 2HD LYS 18 1HD LYS 18 11.151 3.154 11.514 161 1HE LYS 18 2HE LYS 18 12.993 4.519 11.899 162 2HE LYS 18 1HE LYS 18 13.708 3.290 10.856 163 1HZ LYS 18 1HZ LYS 18 12.663 5.139 9.190 164 2HZ LYS 18 2HZ LYS 18 14.215 4.952 9.532 165 3HZ LYS 18 3HZ LYS 18 13.340 6.016 10.346 166 H LYS 19 H LYS 19 8.827 -1.486 9.425 167 HA LYS 19 HA LYS 19 10.079 -2.607 11.773 168 1HB LYS 19 2HB LYS 19 8.066 -3.889 12.016 169 2HB LYS 19 1HB LYS 19 7.564 -2.296 11.465 170 1HG LYS 19 2HG LYS 19 7.416 -3.180 9.122 171 2HG LYS 19 1HG LYS 19 7.846 -4.783 9.718 172 1HD LYS 19 2HD LYS 19 5.376 -3.181 10.396 173 2HD LYS 19 1HD LYS 19 5.464 -4.706 9.507 174 1HE LYS 19 2HE LYS 19 6.248 -4.306 12.415 175 2HE LYS 19 1HE LYS 19 4.777 -5.096 11.847 176 1HZ LYS 19 1HZ LYS 19 7.519 -6.001 11.489 177 2HZ LYS 19 2HZ LYS 19 6.303 -6.619 10.652 178 3HZ LYS 19 3HZ LYS 19 6.331 -6.763 12.245 179 H GLN 20 H GLN 20 9.115 -3.875 8.601 180 HA GLN 20 HA GLN 20 11.307 -5.782 8.613 181 1HB GLN 20 2HB GLN 20 9.626 -7.004 9.790 182 2HB GLN 20 1HB GLN 20 8.372 -6.462 8.684 183 1HG GLN 20 2HG GLN 20 9.254 -7.800 6.893 184 2HG GLN 20 1HG GLN 20 10.721 -8.144 7.804 185 1HE2 GLN 20 1HE2 GLN 20 8.971 -10.225 6.793 186 2HE2 GLN 20 2HE2 GLN 20 8.317 -11.036 8.133 187 H ASP 21 H ASP 21 11.280 -7.011 6.446 188 HA ASP 21 HA ASP 21 10.193 -5.207 4.352 189 1HB ASP 21 2HB ASP 21 12.113 -7.401 3.653 190 2HB ASP 21 1HB ASP 21 11.953 -5.794 2.921 191 H GLY 22 H GLY 22 8.644 -6.145 3.138 192 1HA GLY 22 2HA GLY 22 8.196 -8.986 3.116 193 2HA GLY 22 1HA GLY 22 7.048 -8.105 4.103 194 H ALA 23 H ALA 23 6.207 -9.456 1.756 195 HA ALA 23 HA ALA 23 6.106 -7.505 -0.270 196 1HB ALA 23 1HB ALA 23 6.163 -9.733 -1.045 197 2HB ALA 23 2HB ALA 23 4.503 -9.208 -1.332 198 3HB ALA 23 3HB ALA 23 4.879 -10.222 0.062 199 H LEU 24 H LEU 24 4.687 -6.140 -0.778 200 HA LEU 24 HA LEU 24 2.316 -5.851 0.989 201 1HB LEU 24 2HB LEU 24 4.309 -4.066 0.010 202 2HB LEU 24 1HB LEU 24 2.763 -3.526 -0.614 203 HG LEU 24 HG LEU 24 3.654 -3.887 2.234 204 1HD1 LEU 24 1HD1 LEU 24 2.315 -1.535 2.057 205 2HD1 LEU 24 2HD1 LEU 24 2.845 -1.695 0.386 206 3HD1 LEU 24 3HD1 LEU 24 4.032 -1.680 1.686 207 1HD2 LEU 24 1HD2 LEU 24 1.167 -3.166 2.666 208 2HD2 LEU 24 2HD2 LEU 24 1.533 -4.871 2.402 209 3HD2 LEU 24 3HD2 LEU 24 0.869 -3.897 1.089 210 H TYR 25 H TYR 25 0.291 -5.862 0.133 211 HA TYR 25 HA TYR 25 0.013 -6.096 -2.813 212 1HB TYR 25 2HB TYR 25 -1.245 -7.478 -0.487 213 2HB TYR 25 1HB TYR 25 -2.299 -7.095 -1.843 214 HD1 TYR 25 HD1 TYR 25 0.877 -8.808 -0.919 215 HD2 TYR 25 HD2 TYR 25 -2.249 -8.361 -3.828 216 HE1 TYR 25 HE1 TYR 25 1.730 -10.795 -2.128 217 HE2 TYR 25 HE2 TYR 25 -1.401 -10.357 -5.045 218 HH TYR 25 HH TYR 25 1.370 -12.225 -3.800 219 H LEU 26 H LEU 26 -1.601 -4.659 -3.773 220 HA LEU 26 HA LEU 26 -2.970 -2.964 -1.794 221 1HB LEU 26 2HB LEU 26 -1.731 -1.302 -2.761 222 2HB LEU 26 1HB LEU 26 -1.345 -2.275 -4.172 223 HG LEU 26 HG LEU 26 -3.680 -1.874 -5.013 224 1HD1 LEU 26 1HD1 LEU 26 -4.316 0.462 -3.550 225 2HD1 LEU 26 2HD1 LEU 26 -3.939 -0.780 -2.356 226 3HD1 LEU 26 3HD1 LEU 26 -5.196 -1.066 -3.560 227 1HD2 LEU 26 1HD2 LEU 26 -3.185 0.280 -5.886 228 2HD2 LEU 26 2HD2 LEU 26 -1.608 -0.438 -5.558 229 3HD2 LEU 26 3HD2 LEU 26 -2.286 0.746 -4.441 230 H MET 27 H MET 27 -5.188 -2.757 -2.149 231 HA MET 27 HA MET 27 -6.294 -3.838 -4.626 232 1HB MET 27 2HB MET 27 -6.340 -5.799 -3.247 233 2HB MET 27 1HB MET 27 -6.841 -4.875 -1.836 234 1HG MET 27 2HG MET 27 -9.023 -4.746 -2.513 235 2HG MET 27 1HG MET 27 -8.607 -4.712 -4.222 236 1HE MET 27 1HE MET 27 -6.759 -7.816 -2.348 237 2HE MET 27 2HE MET 27 -8.212 -8.305 -1.481 238 3HE MET 27 3HE MET 27 -7.601 -6.662 -1.305 239 H ALA 28 H ALA 28 -8.278 -2.823 -5.096 240 HA ALA 28 HA ALA 28 -8.842 -0.287 -4.379 241 1HB ALA 28 1HB ALA 28 -10.619 -2.608 -5.085 242 2HB ALA 28 2HB ALA 28 -10.299 -1.125 -5.992 243 3HB ALA 28 3HB ALA 28 -11.365 -1.085 -4.588 244 H GLU 29 H GLU 29 -10.049 -3.123 -2.703 245 HA GLU 29 HA GLU 29 -11.192 -1.510 -0.621 246 1HB GLU 29 2HB GLU 29 -11.880 -3.890 -1.547 247 2HB GLU 29 1HB GLU 29 -10.799 -4.426 -0.259 248 1HG GLU 29 2HG GLU 29 -12.761 -4.280 0.942 249 2HG GLU 29 1HG GLU 29 -12.165 -2.633 1.155 250 H ARG 30 H ARG 30 -8.136 -3.402 -0.806 251 HA ARG 30 HA ARG 30 -7.362 -1.997 1.605 252 1HB ARG 30 2HB ARG 30 -7.017 -3.910 3.012 253 2HB ARG 30 1HB ARG 30 -8.683 -3.970 2.461 254 1HG ARG 30 2HG ARG 30 -6.949 -5.309 0.579 255 2HG ARG 30 1HG ARG 30 -6.737 -5.969 2.200 256 1HD ARG 30 2HD ARG 30 -8.557 -7.224 1.568 257 2HD ARG 30 1HD ARG 30 -9.416 -5.809 2.169 258 HE ARG 30 HE ARG 30 -8.908 -5.231 -0.475 259 1HH1 ARG 30 1HH2 ARG 30 -10.308 -7.852 1.307 260 2HH1 ARG 30 2HH2 ARG 30 -11.471 -8.237 0.085 261 1HH2 ARG 30 1HH1 ARG 30 -10.466 -5.727 -2.069 262 2HH2 ARG 30 2HH1 ARG 30 -11.556 -7.045 -1.817 263 H ILE 31 H ILE 31 -5.274 -2.601 2.390 264 HA ILE 31 HA ILE 31 -3.482 -3.509 0.193 265 HB ILE 31 HB ILE 31 -3.271 -1.387 2.275 266 1HG1 ILE 31 2HG1 ILE 31 -2.217 -1.881 -0.517 267 2HG1 ILE 31 1HG1 ILE 31 -3.470 -0.745 -0.024 268 1HG2 ILE 31 1HG2 ILE 31 -0.849 -1.521 2.440 269 2HG2 ILE 31 2HG2 ILE 31 -0.808 -2.908 1.352 270 3HG2 ILE 31 3HG2 ILE 31 -1.515 -3.068 2.958 271 1HD1 ILE 31 1HD1 ILE 31 -1.810 0.542 1.257 272 2HD1 ILE 31 2HD1 ILE 31 -1.311 0.400 -0.430 273 3HD1 ILE 31 3HD1 ILE 31 -0.559 -0.616 0.802 274 H ALA 32 H ALA 32 -2.338 -5.389 0.608 275 HA ALA 32 HA ALA 32 -2.600 -6.485 3.352 276 1HB ALA 32 1HB ALA 32 -3.529 -7.570 1.014 277 2HB ALA 32 2HB ALA 32 -3.169 -8.487 2.476 278 3HB ALA 32 3HB ALA 32 -1.965 -8.364 1.194 279 H TRP 33 H TRP 33 -0.865 -7.786 4.163 280 HA TRP 33 HA TRP 33 1.712 -7.232 2.835 281 1HB TRP 33 2HB TRP 33 1.287 -5.782 4.867 282 2HB TRP 33 1HB TRP 33 1.276 -7.262 5.822 283 HD1 TRP 33 HD1 TRP 33 3.531 -6.219 2.897 284 HE1 TRP 33 HE1 TRP 33 5.959 -6.363 3.706 285 HE3 TRP 33 HE3 TRP 33 2.905 -7.702 7.755 286 HZ2 TRP 33 HZ2 TRP 33 7.465 -7.025 5.919 287 HZ3 TRP 33 HZ3 TRP 33 4.884 -8.143 9.157 288 HH2 TRP 33 HH2 TRP 33 7.172 -7.822 8.245 289 H ALA 34 H ALA 34 3.055 -8.987 2.773 290 HA ALA 34 HA ALA 34 2.547 -11.247 4.514 291 1HB ALA 34 1HB ALA 34 1.095 -12.047 2.945 292 2HB ALA 34 2HB ALA 34 2.606 -12.712 2.323 293 3HB ALA 34 3HB ALA 34 1.925 -11.250 1.608 294 HA PRO 35 HA PRO 35 6.818 -11.610 3.516 295 1HB PRO 35 2HB PRO 35 7.237 -13.700 5.429 296 2HB PRO 35 1HB PRO 35 7.542 -11.970 5.637 297 1HG PRO 35 2HG PRO 35 5.445 -13.546 6.828 298 2HG PRO 35 1HG PRO 35 5.766 -11.820 7.042 299 1HD PRO 35 2HD PRO 35 3.629 -13.051 5.550 300 2HD PRO 35 1HD PRO 35 3.942 -11.322 5.787 301 H GLU 36 H GLU 36 8.294 -14.055 3.835 302 HA GLU 36 HA GLU 36 7.085 -15.621 1.638 303 1HB GLU 36 2HB GLU 36 9.497 -16.430 1.359 304 2HB GLU 36 1HB GLU 36 9.188 -14.744 0.940 305 1HG GLU 36 2HG GLU 36 10.043 -13.993 3.080 306 2HG GLU 36 1HG GLU 36 10.197 -15.656 3.648 307 H GLY 37 H GLY 37 5.817 -16.963 3.061 308 1HA GLY 37 2HA GLY 37 7.329 -19.186 4.133 309 2HA GLY 37 1HA GLY 37 6.487 -18.237 5.360 310 H LYS 38 H LYS 38 5.487 -20.616 5.407 311 HA LYS 38 HA LYS 38 3.746 -21.580 3.508 312 1HB LYS 38 2HB LYS 38 3.771 -21.604 6.496 313 2HB LYS 38 1HB LYS 38 2.297 -22.131 5.681 314 1HG LYS 38 2HG LYS 38 4.170 -23.446 4.209 315 2HG LYS 38 1HG LYS 38 4.959 -23.423 5.786 316 1HD LYS 38 2HD LYS 38 3.201 -24.602 6.821 317 2HD LYS 38 1HD LYS 38 2.069 -24.233 5.520 318 1HE LYS 38 2HE LYS 38 4.219 -25.581 4.294 319 2HE LYS 38 1HE LYS 38 3.873 -26.480 5.772 320 1HZ LYS 38 1HZ LYS 38 1.612 -25.664 4.229 321 2HZ LYS 38 2HZ LYS 38 1.868 -27.038 5.008 322 3HZ LYS 38 3HZ LYS 38 2.519 -26.804 3.565 323 H ASP 39 H ASP 39 2.523 -19.639 6.249 324 HA ASP 39 HA ASP 39 0.157 -18.922 4.918 325 1HB ASP 39 2HB ASP 39 -0.086 -17.254 6.710 326 2HB ASP 39 1HB ASP 39 0.441 -18.797 7.381 327 H ARG 40 H ARG 40 -0.295 -17.121 3.701 328 HA ARG 40 HA ARG 40 2.041 -15.622 2.747 329 1HB ARG 40 2HB ARG 40 -0.026 -14.879 1.096 330 2HB ARG 40 1HB ARG 40 1.132 -16.165 0.748 331 1HG ARG 40 2HG ARG 40 -0.424 -17.764 1.946 332 2HG ARG 40 1HG ARG 40 -1.609 -16.458 2.003 333 1HD ARG 40 2HD ARG 40 -1.422 -16.268 -0.496 334 2HD ARG 40 1HD ARG 40 -0.394 -17.700 -0.481 335 HE ARG 40 HE ARG 40 -2.628 -18.489 0.880 336 1HH1 ARG 40 1HH2 ARG 40 -1.952 -16.990 -2.160 337 2HH1 ARG 40 2HH2 ARG 40 -3.320 -17.694 -2.955 338 1HH2 ARG 40 1HH1 ARG 40 -4.412 -19.411 -0.150 339 2HH2 ARG 40 2HH1 ARG 40 -4.710 -19.061 -1.820 340 H PHE 41 H PHE 41 -1.206 -14.544 2.507 341 HA PHE 41 HA PHE 41 -0.760 -11.929 3.140 342 1HB PHE 41 2HB PHE 41 -3.186 -13.670 3.464 343 2HB PHE 41 1HB PHE 41 -3.222 -11.959 3.913 344 HD1 PHE 41 HD1 PHE 41 -3.828 -14.152 1.274 345 HD2 PHE 41 HD2 PHE 41 -1.903 -10.408 2.146 346 HE1 PHE 41 HE1 PHE 41 -3.956 -13.536 -1.123 347 HE2 PHE 41 HE2 PHE 41 -2.038 -9.789 -0.262 348 HZ PHE 41 HZ PHE 41 -3.054 -11.361 -1.887 349 H THR 42 H THR 42 0.027 -10.993 4.861 350 HA THR 42 HA THR 42 -0.195 -12.316 7.466 351 HB THR 42 HB THR 42 1.975 -11.232 6.268 352 HG1 THR 42 HG1 THR 42 2.851 -11.485 8.194 353 1HG2 THR 42 1HG2 THR 42 0.591 -8.921 6.621 354 2HG2 THR 42 2HG2 THR 42 2.335 -9.028 6.567 355 3HG2 THR 42 3HG2 THR 42 1.500 -8.985 8.121 356 H ILE 43 H ILE 43 -0.956 -9.362 5.755 357 HA ILE 43 HA ILE 43 -3.118 -8.859 7.689 358 HB ILE 43 HB ILE 43 -2.423 -6.537 8.103 359 1HG1 ILE 43 2HG1 ILE 43 0.325 -6.716 7.335 360 2HG1 ILE 43 1HG1 ILE 43 -0.663 -7.094 5.923 361 1HG2 ILE 43 1HG2 ILE 43 -0.558 -7.044 9.602 362 2HG2 ILE 43 2HG2 ILE 43 -0.229 -8.538 8.723 363 3HG2 ILE 43 3HG2 ILE 43 -1.725 -8.366 9.641 364 1HD1 ILE 43 1HD1 ILE 43 -2.058 -5.006 6.672 365 2HD1 ILE 43 2HD1 ILE 43 -0.537 -4.764 5.812 366 3HD1 ILE 43 3HD1 ILE 43 -0.598 -4.578 7.565 367 H SER 44 H SER 44 -4.306 -6.739 7.029 368 HA SER 44 HA SER 44 -4.196 -6.074 4.234 369 1HB SER 44 2HB SER 44 -6.073 -7.159 3.482 370 2HB SER 44 1HB SER 44 -5.620 -8.316 4.729 371 HG SER 44 HG SER 44 -7.530 -6.230 4.838 372 H HIS 45 H HIS 45 -4.812 -3.898 4.171 373 HA HIS 45 HA HIS 45 -6.326 -2.941 6.528 374 1HB HIS 45 2HB HIS 45 -5.282 -0.856 4.806 375 2HB HIS 45 1HB HIS 45 -5.079 -1.060 6.539 376 HD1 HIS 45 HD1 HIS 45 -2.728 -0.025 4.957 377 HD2 HIS 45 HD2 HIS 45 -3.343 -4.083 5.586 378 HE1 HIS 45 HE1 HIS 45 -0.467 -1.136 4.718 379 H MET 46 H MET 46 -8.477 -2.983 5.909 380 HA MET 46 HA MET 46 -9.296 -2.553 3.234 381 1HB MET 46 2HB MET 46 -10.536 -3.285 5.640 382 2HB MET 46 1HB MET 46 -11.284 -1.758 5.187 383 1HG MET 46 2HG MET 46 -12.301 -2.652 3.353 384 2HG MET 46 1HG MET 46 -10.915 -3.671 2.964 385 1HE MET 46 1HE MET 46 -11.094 -6.553 3.606 386 2HE MET 46 2HE MET 46 -10.977 -6.478 5.362 387 3HE MET 46 3HE MET 46 -10.078 -5.327 4.377 388 H TYR 47 H TYR 47 -8.643 -0.676 2.329 389 HA TYR 47 HA TYR 47 -7.913 1.671 3.300 390 1HB TYR 47 2HB TYR 47 -9.564 1.049 0.877 391 2HB TYR 47 1HB TYR 47 -9.222 2.734 1.286 392 HD1 TYR 47 HD1 TYR 47 -7.681 3.112 -0.620 393 HD2 TYR 47 HD2 TYR 47 -6.947 -0.053 2.190 394 HE1 TYR 47 HE1 TYR 47 -5.375 2.939 -1.429 395 HE2 TYR 47 HE2 TYR 47 -4.630 -0.244 1.349 396 HH TYR 47 HH TYR 47 -3.585 0.842 -1.439 397 H ALA 48 H ALA 48 -11.392 0.753 3.237 398 HA ALA 48 HA ALA 48 -12.255 3.323 4.198 399 1HB ALA 48 1HB ALA 48 -14.314 1.986 4.910 400 2HB ALA 48 2HB ALA 48 -13.508 0.566 4.243 401 3HB ALA 48 3HB ALA 48 -13.918 1.922 3.191 402 H ASP 49 H ASP 49 -11.543 0.236 5.702 403 HA ASP 49 HA ASP 49 -11.941 1.061 8.409 404 1HB ASP 49 2HB ASP 49 -10.202 -1.162 7.301 405 2HB ASP 49 1HB ASP 49 -10.671 -0.975 8.990 406 H ILE 50 H ILE 50 -9.674 2.039 6.172 407 HA ILE 50 HA ILE 50 -7.805 2.773 8.349 408 HB ILE 50 HB ILE 50 -6.572 2.982 5.746 409 1HG1 ILE 50 2HG1 ILE 50 -8.077 1.131 5.128 410 2HG1 ILE 50 1HG1 ILE 50 -6.407 0.583 5.225 411 1HG2 ILE 50 1HG2 ILE 50 -5.111 1.159 7.041 412 2HG2 ILE 50 2HG2 ILE 50 -6.067 1.746 8.398 413 3HG2 ILE 50 3HG2 ILE 50 -5.071 2.868 7.477 414 1HD1 ILE 50 1HD1 ILE 50 -7.290 0.228 7.813 415 2HD1 ILE 50 2HD1 ILE 50 -7.193 -1.041 6.593 416 3HD1 ILE 50 3HD1 ILE 50 -8.713 -0.194 6.865 417 H LYS 51 H LYS 51 -8.045 5.118 8.676 418 HA LYS 51 HA LYS 51 -8.313 6.519 6.092 419 1HB LYS 51 2HB LYS 51 -10.573 6.375 7.042 420 2HB LYS 51 1HB LYS 51 -9.995 7.173 8.504 421 1HG LYS 51 2HG LYS 51 -11.037 8.741 6.783 422 2HG LYS 51 1HG LYS 51 -9.406 9.160 7.314 423 1HD LYS 51 2HD LYS 51 -8.428 8.186 5.323 424 2HD LYS 51 1HD LYS 51 -10.003 7.577 4.800 425 1HE LYS 51 2HE LYS 51 -10.334 9.522 3.715 426 2HE LYS 51 1HE LYS 51 -10.351 10.342 5.276 427 1HZ LYS 51 1HZ LYS 51 -8.408 11.206 4.791 428 2HZ LYS 51 2HZ LYS 51 -8.460 10.566 3.325 429 3HZ LYS 51 3HZ LYS 51 -7.741 9.776 4.517 430 H CYS 52 H CYS 52 -6.503 7.465 6.043 431 HA CYS 52 HA CYS 52 -6.037 9.913 7.069 432 1HB CYS 52 2HB CYS 52 -5.650 8.514 9.233 433 2HB CYS 52 1HB CYS 52 -4.117 8.092 8.478 434 HG CYS 52 HG CYS 52 -4.251 11.002 8.243 435 H GLN 53 H GLN 53 -4.577 10.699 5.554 436 HA GLN 53 HA GLN 53 -2.740 8.656 4.452 437 1HB GLN 53 2HB GLN 53 -4.733 10.318 2.922 438 2HB GLN 53 1HB GLN 53 -3.361 9.525 2.148 439 1HG GLN 53 2HG GLN 53 -5.128 7.918 3.959 440 2HG GLN 53 1HG GLN 53 -5.681 8.284 2.329 441 1HE2 GLN 53 1HE2 GLN 53 -5.436 6.049 1.615 442 2HE2 GLN 53 2HE2 GLN 53 -3.901 5.362 1.381 443 H LYS 54 H LYS 54 -0.850 9.281 4.173 444 HA LYS 54 HA LYS 54 -0.174 12.074 3.565 445 1HB LYS 54 2HB LYS 54 0.379 12.150 5.827 446 2HB LYS 54 1HB LYS 54 0.605 10.402 5.929 447 1HG LYS 54 2HG LYS 54 2.805 10.521 5.348 448 2HG LYS 54 1HG LYS 54 2.537 11.827 4.191 449 1HD LYS 54 2HD LYS 54 2.121 12.518 7.048 450 2HD LYS 54 1HD LYS 54 3.787 12.199 6.564 451 1HE LYS 54 2HE LYS 54 3.706 13.891 4.862 452 2HE LYS 54 1HE LYS 54 1.962 14.080 5.050 453 1HZ LYS 54 1HZ LYS 54 2.440 15.608 6.533 454 2HZ LYS 54 2HZ LYS 54 4.007 15.285 6.514 455 3HZ LYS 54 3HZ LYS 54 3.038 14.484 7.504 456 H ILE 55 H ILE 55 0.815 11.789 1.573 457 HA ILE 55 HA ILE 55 2.871 9.700 1.414 458 HB ILE 55 HB ILE 55 1.817 9.425 -1.054 459 1HG1 ILE 55 2HG1 ILE 55 -0.672 9.231 -0.770 460 2HG1 ILE 55 1HG1 ILE 55 -0.512 10.021 0.799 461 1HG2 ILE 55 1HG2 ILE 55 0.641 7.392 -0.114 462 2HG2 ILE 55 2HG2 ILE 55 1.041 7.992 1.497 463 3HG2 ILE 55 3HG2 ILE 55 2.328 7.561 0.371 464 1HD1 ILE 55 1HD1 ILE 55 0.453 11.234 -1.804 465 2HD1 ILE 55 2HD1 ILE 55 0.379 12.023 -0.228 466 3HD1 ILE 55 3HD1 ILE 55 -1.110 11.595 -1.071 467 H SER 56 H SER 56 4.546 11.093 1.149 468 HA SER 56 HA SER 56 4.292 13.008 -1.095 469 1HB SER 56 2HB SER 56 5.351 13.302 1.642 470 2HB SER 56 1HB SER 56 6.369 13.979 0.375 471 HG SER 56 HG SER 56 3.678 14.566 1.016 472 HA PRO 57 HA PRO 57 8.079 10.428 -1.496 473 1HB PRO 57 2HB PRO 57 7.123 8.256 -3.096 474 2HB PRO 57 1HB PRO 57 7.894 8.233 -1.504 475 1HG PRO 57 2HG PRO 57 5.149 7.747 -2.101 476 2HG PRO 57 1HG PRO 57 5.921 7.748 -0.530 477 1HD PRO 57 2HD PRO 57 4.133 9.742 -1.595 478 2HD PRO 57 1HD PRO 57 4.911 9.692 -0.005 479 H GLU 58 H GLU 58 7.038 12.541 -3.032 480 HA GLU 58 HA GLU 58 7.272 11.687 -5.827 481 1HB GLU 58 2HB GLU 58 6.037 13.888 -4.421 482 2HB GLU 58 1HB GLU 58 7.158 14.509 -5.634 483 1HG GLU 58 2HG GLU 58 5.853 13.820 -7.352 484 2HG GLU 58 1HG GLU 58 5.546 12.255 -6.599 485 H GLY 59 H GLY 59 9.042 13.273 -3.273 486 1HA GLY 59 2HA GLY 59 11.457 13.180 -4.909 487 2HA GLY 59 1HA GLY 59 11.033 14.734 -4.168 488 H LYS 60 H LYS 60 10.610 11.410 -2.967 489 HA LYS 60 HA LYS 60 11.867 12.302 -0.456 490 1HB LYS 60 2HB LYS 60 9.676 10.474 -1.214 491 2HB LYS 60 1HB LYS 60 10.660 9.936 0.127 492 1HG LYS 60 2HG LYS 60 8.611 11.426 0.671 493 2HG LYS 60 1HG LYS 60 10.143 11.815 1.449 494 1HD LYS 60 2HD LYS 60 9.743 13.111 -1.174 495 2HD LYS 60 1HD LYS 60 8.612 13.621 0.078 496 1HE LYS 60 2HE LYS 60 11.418 13.413 0.970 497 2HE LYS 60 1HE LYS 60 11.116 14.669 -0.231 498 1HZ LYS 60 1HZ LYS 60 10.327 15.837 1.438 499 2HZ LYS 60 2HZ LYS 60 10.364 14.609 2.462 500 3HZ LYS 60 3HZ LYS 60 9.080 14.838 1.535 501 H ALA 61 H ALA 61 12.388 10.090 0.748 502 HA ALA 61 HA ALA 61 14.936 9.267 0.064 503 1HB ALA 61 1HB ALA 61 14.731 7.698 1.732 504 2HB ALA 61 2HB ALA 61 13.166 7.134 1.147 505 3HB ALA 61 3HB ALA 61 13.270 8.618 2.094 506 H LYS 62 H LYS 62 12.048 7.204 -0.507 507 HA LYS 62 HA LYS 62 12.555 6.918 -3.255 508 1HB LYS 62 2HB LYS 62 13.046 4.358 -3.045 509 2HB LYS 62 1HB LYS 62 14.387 5.483 -3.018 510 1HG LYS 62 2HG LYS 62 13.005 4.714 -0.466 511 2HG LYS 62 1HG LYS 62 14.187 3.615 -1.165 512 1HD LYS 62 2HD LYS 62 15.372 6.169 -1.216 513 2HD LYS 62 1HD LYS 62 14.602 6.020 0.367 514 1HE LYS 62 2HE LYS 62 15.788 3.981 0.837 515 2HE LYS 62 1HE LYS 62 16.385 3.878 -0.819 516 1HZ LYS 62 1HZ LYS 62 17.531 5.204 1.299 517 2HZ LYS 62 2HZ LYS 62 17.105 6.318 0.232 518 3HZ LYS 62 3HZ LYS 62 18.068 5.117 -0.207 519 H ILE 63 H ILE 63 9.984 7.361 -2.059 520 HA ILE 63 HA ILE 63 8.027 6.658 -2.180 521 HB ILE 63 HB ILE 63 8.131 5.473 -4.132 522 1HG1 ILE 63 2HG1 ILE 63 6.918 3.175 -3.209 523 2HG1 ILE 63 1HG1 ILE 63 6.718 4.282 -1.858 524 1HG2 ILE 63 1HG2 ILE 63 8.788 2.981 -4.113 525 2HG2 ILE 63 2HG2 ILE 63 9.653 3.363 -2.630 526 3HG2 ILE 63 3HG2 ILE 63 10.086 4.175 -4.137 527 1HD1 ILE 63 1HD1 ILE 63 4.970 5.137 -2.984 528 2HD1 ILE 63 2HD1 ILE 63 5.449 4.341 -4.481 529 3HD1 ILE 63 3HD1 ILE 63 6.168 5.887 -4.039 530 H GLN 64 H GLN 64 7.914 7.101 -0.131 531 HA GLN 64 HA GLN 64 7.495 4.739 1.636 532 1HB GLN 64 2HB GLN 64 8.298 5.961 3.516 533 2HB GLN 64 1HB GLN 64 9.491 6.249 2.249 534 1HG GLN 64 2HG GLN 64 7.934 8.319 1.699 535 2HG GLN 64 1HG GLN 64 7.442 8.118 3.381 536 1HE2 GLN 64 1HE2 GLN 64 10.015 7.171 4.379 537 2HE2 GLN 64 2HE2 GLN 64 11.093 8.481 4.315 538 H LEU 65 H LEU 65 5.368 4.671 2.462 539 HA LEU 65 HA LEU 65 3.883 7.210 2.234 540 1HB LEU 65 2HB LEU 65 1.851 5.880 1.631 541 2HB LEU 65 1HB LEU 65 3.117 5.880 0.415 542 HG LEU 65 HG LEU 65 1.926 3.649 0.956 543 1HD1 LEU 65 1HD1 LEU 65 3.817 3.594 -0.459 544 2HD1 LEU 65 2HD1 LEU 65 4.137 2.387 0.793 545 3HD1 LEU 65 3HD1 LEU 65 4.924 3.962 0.856 546 1HD2 LEU 65 1HD2 LEU 65 2.710 2.390 2.811 547 2HD2 LEU 65 2HD2 LEU 65 2.214 3.951 3.454 548 3HD2 LEU 65 3HD2 LEU 65 3.925 3.597 3.210 549 H GLN 66 H GLN 66 1.883 7.281 3.648 550 HA GLN 66 HA GLN 66 2.018 5.509 5.982 551 1HB GLN 66 2HB GLN 66 3.213 8.028 6.018 552 2HB GLN 66 1HB GLN 66 1.646 8.283 6.787 553 1HG GLN 66 2HG GLN 66 2.071 6.496 8.379 554 2HG GLN 66 1HG GLN 66 3.564 6.060 7.543 555 1HE2 GLN 66 1HE2 GLN 66 5.357 7.698 7.599 556 2HE2 GLN 66 2HE2 GLN 66 5.427 8.810 8.880 557 H LEU 67 H LEU 67 0.015 4.969 6.592 558 HA LEU 67 HA LEU 67 -2.254 6.762 5.973 559 1HB LEU 67 2HB LEU 67 -2.495 5.200 4.245 560 2HB LEU 67 1HB LEU 67 -1.777 3.899 5.184 561 HG LEU 67 HG LEU 67 -4.068 4.496 6.633 562 1HD1 LEU 67 1HD1 LEU 67 -5.641 4.170 4.424 563 2HD1 LEU 67 2HD1 LEU 67 -4.412 5.274 3.807 564 3HD1 LEU 67 3HD1 LEU 67 -5.368 5.721 5.221 565 1HD2 LEU 67 1HD2 LEU 67 -3.628 2.247 6.345 566 2HD2 LEU 67 2HD2 LEU 67 -3.214 2.443 4.642 567 3HD2 LEU 67 3HD2 LEU 67 -4.904 2.438 5.143 568 H VAL 68 H VAL 68 -3.949 6.550 7.579 569 HA VAL 68 HA VAL 68 -3.055 4.916 9.869 570 HB VAL 68 HB VAL 68 -4.611 7.458 10.238 571 1HG1 VAL 68 1HG1 VAL 68 -3.552 7.311 12.473 572 2HG1 VAL 68 2HG1 VAL 68 -2.796 5.800 11.983 573 3HG1 VAL 68 3HG1 VAL 68 -4.553 5.905 12.125 574 1HG2 VAL 68 1HG2 VAL 68 -1.782 7.484 10.902 575 2HG2 VAL 68 2HG2 VAL 68 -2.736 8.712 10.068 576 3HG2 VAL 68 3HG2 VAL 68 -2.068 7.348 9.169 577 H LEU 69 H LEU 69 -4.673 4.217 11.269 578 HA LEU 69 HA LEU 69 -6.963 3.214 9.833 579 1HB LEU 69 2HB LEU 69 -5.911 2.895 12.652 580 2HB LEU 69 1HB LEU 69 -7.332 2.054 12.052 581 HG LEU 69 HG LEU 69 -4.984 0.879 11.998 582 1HD1 LEU 69 1HD1 LEU 69 -5.692 -0.029 9.615 583 2HD1 LEU 69 2HD1 LEU 69 -7.163 0.878 10.004 584 3HD1 LEU 69 3HD1 LEU 69 -6.611 -0.408 11.078 585 1HD2 LEU 69 1HD2 LEU 69 -3.692 2.512 10.792 586 2HD2 LEU 69 2HD2 LEU 69 -4.887 2.572 9.503 587 3HD2 LEU 69 3HD2 LEU 69 -3.919 1.125 9.737 588 H HIS 70 H HIS 70 -9.179 3.771 10.402 589 HA HIS 70 HA HIS 70 -9.721 6.388 11.189 590 1HB HIS 70 2HB HIS 70 -11.944 5.294 12.088 591 2HB HIS 70 1HB HIS 70 -11.601 5.242 10.359 592 HD1 HIS 70 HD1 HIS 70 -11.049 3.064 13.445 593 HD2 HIS 70 HD2 HIS 70 -11.596 2.678 9.331 594 HE1 HIS 70 HE1 HIS 70 -11.171 0.579 12.969 595 H ALA 71 H ALA 71 -9.133 3.488 12.949 596 HA ALA 71 HA ALA 71 -9.616 4.511 15.590 597 1HB ALA 71 1HB ALA 71 -7.726 2.244 14.998 598 2HB ALA 71 2HB ALA 71 -9.461 2.028 14.771 599 3HB ALA 71 3HB ALA 71 -8.824 2.440 16.364 600 H GLY 72 H GLY 72 -7.024 3.578 16.714 601 1HA GLY 72 2HA GLY 72 -5.439 5.949 15.955 602 2HA GLY 72 1HA GLY 72 -5.412 5.174 17.541 603 H ASP 73 H ASP 73 -5.182 3.973 14.298 604 HA ASP 73 HA ASP 73 -2.579 2.727 15.021 605 1HB ASP 73 2HB ASP 73 -5.015 1.550 13.740 606 2HB ASP 73 1HB ASP 73 -3.430 0.943 13.257 607 H THR 74 H THR 74 -0.993 2.846 13.496 608 HA THR 74 HA THR 74 -1.702 4.404 11.097 609 HB THR 74 HB THR 74 1.142 4.080 11.865 610 HG1 THR 74 HG1 THR 74 0.905 5.692 13.462 611 1HG2 THR 74 1HG2 THR 74 1.004 5.584 10.151 612 2HG2 THR 74 2HG2 THR 74 0.683 6.720 11.461 613 3HG2 THR 74 3HG2 THR 74 -0.656 6.031 10.543 614 H THR 75 H THR 75 -0.648 3.804 9.105 615 HA THR 75 HA THR 75 0.313 1.024 9.067 616 HB THR 75 HB THR 75 -0.968 1.933 6.599 617 HG1 THR 75 HG1 THR 75 -2.395 1.943 9.027 618 1HG2 THR 75 1HG2 THR 75 -0.535 -0.368 6.779 619 2HG2 THR 75 2HG2 THR 75 -2.262 -0.270 7.124 620 3HG2 THR 75 3HG2 THR 75 -1.107 -0.440 8.446 621 H ASN 76 H ASN 76 2.521 1.484 8.698 622 HA ASN 76 HA ASN 76 3.057 3.612 6.725 623 1HB ASN 76 2HB ASN 76 4.873 2.456 8.859 624 2HB ASN 76 1HB ASN 76 5.260 3.792 7.775 625 1HD2 ASN 76 1HD2 ASN 76 5.402 5.464 9.375 626 2HD2 ASN 76 2HD2 ASN 76 4.076 5.953 10.314 627 H PHE 77 H PHE 77 4.246 3.051 4.927 628 HA PHE 77 HA PHE 77 5.491 0.404 4.948 629 1HB PHE 77 2HB PHE 77 2.947 0.895 3.745 630 2HB PHE 77 1HB PHE 77 4.121 0.568 2.477 631 HD1 PHE 77 HD1 PHE 77 5.961 -1.227 3.443 632 HD2 PHE 77 HD2 PHE 77 1.775 -1.070 4.403 633 HE1 PHE 77 HE1 PHE 77 6.009 -3.621 4.033 634 HE2 PHE 77 HE2 PHE 77 1.827 -3.467 4.978 635 HZ PHE 77 HZ PHE 77 3.953 -4.722 4.787 636 H HIS 78 H HIS 78 7.116 0.186 3.552 637 HA HIS 78 HA HIS 78 7.761 2.529 1.856 638 1HB HIS 78 2HB HIS 78 9.124 2.732 3.891 639 2HB HIS 78 1HB HIS 78 9.760 1.117 3.651 640 HD1 HIS 78 HD1 HIS 78 11.724 0.869 2.130 641 HD2 HIS 78 HD2 HIS 78 9.916 4.593 1.649 642 HE1 HIS 78 HE1 HIS 78 13.109 2.153 0.452 643 H PHE 79 H PHE 79 9.209 2.106 0.194 644 HA PHE 79 HA PHE 79 9.059 -0.718 -0.682 645 1HB PHE 79 2HB PHE 79 8.853 1.884 -2.128 646 2HB PHE 79 1HB PHE 79 9.123 0.376 -2.955 647 HD1 PHE 79 HD1 PHE 79 6.713 2.528 -1.397 648 HD2 PHE 79 HD2 PHE 79 7.447 -1.528 -2.570 649 HE1 PHE 79 HE1 PHE 79 4.269 2.081 -1.311 650 HE2 PHE 79 HE2 PHE 79 5.023 -1.987 -2.460 651 HZ PHE 79 HZ PHE 79 3.441 -0.203 -1.861 652 H SER 80 H SER 80 10.753 -1.571 -1.761 653 HA SER 80 HA SER 80 13.096 -0.186 -2.544 654 1HB SER 80 2HB SER 80 13.192 0.150 -0.057 655 2HB SER 80 1HB SER 80 13.525 -1.579 0.087 656 HG SER 80 HG SER 80 15.490 -1.212 -0.557 657 H ASN 81 H ASN 81 14.224 -1.404 -3.905 658 HA ASN 81 HA ASN 81 14.572 -4.246 -3.381 659 1HB ASN 81 2HB ASN 81 12.961 -3.146 -5.668 660 2HB ASN 81 1HB ASN 81 13.831 -4.676 -5.831 661 1HD2 ASN 81 1HD2 ASN 81 11.463 -3.011 -3.709 662 2HD2 ASN 81 2HD2 ASN 81 10.750 -4.427 -3.125 663 H GLU 82 H GLU 82 16.071 -5.189 -5.092 664 HA GLU 82 HA GLU 82 18.357 -3.544 -5.340 665 1HB GLU 82 2HB GLU 82 19.111 -5.374 -6.941 666 2HB GLU 82 1HB GLU 82 18.651 -5.925 -5.329 667 1HG GLU 82 2HG GLU 82 16.611 -6.814 -6.073 668 2HG GLU 82 1HG GLU 82 16.607 -5.829 -7.536 669 H SER 83 H SER 83 15.562 -4.038 -7.365 670 HA SER 83 HA SER 83 16.647 -1.992 -9.180 671 1HB SER 83 2HB SER 83 15.227 -4.256 -10.462 672 2HB SER 83 1HB SER 83 16.537 -3.253 -11.076 673 HG SER 83 HG SER 83 17.403 -5.239 -10.623 674 H THR 84 H THR 84 14.153 -2.692 -7.181 675 HA THR 84 HA THR 84 12.238 -1.453 -9.062 676 HB THR 84 HB THR 84 10.567 -2.825 -8.346 677 HG1 THR 84 HG1 THR 84 10.205 -3.240 -6.236 678 1HG2 THR 84 1HG2 THR 84 13.047 -4.322 -7.489 679 2HG2 THR 84 2HG2 THR 84 12.112 -4.521 -8.970 680 3HG2 THR 84 3HG2 THR 84 11.442 -5.049 -7.426 681 H ALA 85 H ALA 85 14.197 -0.102 -7.451 682 HA ALA 85 HA ALA 85 12.591 0.989 -5.254 683 1HB ALA 85 1HB ALA 85 14.715 0.858 -4.385 684 2HB ALA 85 2HB ALA 85 14.858 2.449 -5.133 685 3HB ALA 85 3HB ALA 85 15.477 1.023 -5.967 686 H VAL 86 H VAL 86 11.379 1.609 -7.548 687 HA VAL 86 HA VAL 86 11.713 4.487 -7.658 688 HB VAL 86 HB VAL 86 11.746 3.201 -10.354 689 1HG1 VAL 86 1HG1 VAL 86 12.423 5.277 -11.015 690 2HG1 VAL 86 2HG1 VAL 86 13.490 5.478 -9.626 691 3HG1 VAL 86 3HG1 VAL 86 11.760 5.777 -9.458 692 1HG2 VAL 86 1HG2 VAL 86 14.232 3.574 -8.652 693 2HG2 VAL 86 2HG2 VAL 86 14.182 3.015 -10.323 694 3HG2 VAL 86 3HG2 VAL 86 13.512 2.011 -9.037 695 H LYS 87 H LYS 87 10.337 4.430 -10.381 696 HA LYS 87 HA LYS 87 7.805 5.126 -9.771 697 1HB LYS 87 2HB LYS 87 9.238 4.355 -12.119 698 2HB LYS 87 1HB LYS 87 7.612 3.674 -12.187 699 1HG LYS 87 2HG LYS 87 7.164 5.770 -13.040 700 2HG LYS 87 1HG LYS 87 6.960 6.117 -11.323 701 1HD LYS 87 2HD LYS 87 9.455 6.701 -11.298 702 2HD LYS 87 1HD LYS 87 9.366 6.687 -13.060 703 1HE LYS 87 2HE LYS 87 7.995 8.556 -13.145 704 2HE LYS 87 1HE LYS 87 7.324 8.265 -11.540 705 1HZ LYS 87 1HZ LYS 87 10.088 8.734 -11.462 706 2HZ LYS 87 2HZ LYS 87 8.918 9.477 -10.662 707 3HZ LYS 87 3HZ LYS 87 9.320 9.970 -12.130 708 H GLU 88 H GLU 88 8.946 1.819 -10.136 709 HA GLU 88 HA GLU 88 6.764 0.289 -10.484 710 1HB GLU 88 2HB GLU 88 7.750 -1.041 -8.340 711 2HB GLU 88 1HB GLU 88 8.544 -1.057 -9.909 712 1HG GLU 88 2HG GLU 88 9.248 1.246 -8.219 713 2HG GLU 88 1HG GLU 88 9.741 -0.319 -7.589 714 H ARG 89 H ARG 89 7.625 1.009 -7.126 715 HA ARG 89 HA ARG 89 4.828 0.799 -6.411 716 1HB ARG 89 2HB ARG 89 7.117 1.565 -4.601 717 2HB ARG 89 1HB ARG 89 5.568 0.843 -4.160 718 1HG ARG 89 2HG ARG 89 6.450 -1.203 -4.470 719 2HG ARG 89 1HG ARG 89 6.623 -0.815 -6.169 720 1HD ARG 89 2HD ARG 89 8.653 -0.914 -4.053 721 2HD ARG 89 1HD ARG 89 8.799 -1.212 -5.776 722 HE ARG 89 HE ARG 89 8.505 1.472 -5.701 723 1HH1 ARG 89 1HH2 ARG 89 10.485 -0.779 -3.984 724 2HH1 ARG 89 2HH2 ARG 89 11.802 0.325 -3.798 725 1HH2 ARG 89 1HH1 ARG 89 10.233 2.898 -5.525 726 2HH2 ARG 89 2HH1 ARG 89 11.661 2.414 -4.677 727 H ASP 90 H ASP 90 7.209 3.256 -7.050 728 HA ASP 90 HA ASP 90 6.007 5.479 -5.877 729 1HB ASP 90 2HB ASP 90 7.940 5.032 -7.904 730 2HB ASP 90 1HB ASP 90 6.733 6.124 -8.586 731 H ALA 91 H ALA 91 4.841 3.307 -8.327 732 HA ALA 91 HA ALA 91 2.689 5.117 -9.105 733 1HB ALA 91 1HB ALA 91 3.123 2.197 -9.828 734 2HB ALA 91 2HB ALA 91 3.803 3.523 -10.771 735 3HB ALA 91 3HB ALA 91 2.053 3.347 -10.631 736 H VAL 92 H VAL 92 3.418 2.011 -7.507 737 HA VAL 92 HA VAL 92 0.964 1.199 -6.543 738 HB VAL 92 HB VAL 92 3.622 1.383 -5.126 739 1HG1 VAL 92 1HG1 VAL 92 2.552 1.430 -3.127 740 2HG1 VAL 92 2HG1 VAL 92 2.073 -0.228 -3.497 741 3HG1 VAL 92 3HG1 VAL 92 0.984 1.108 -3.866 742 1HG2 VAL 92 1HG2 VAL 92 3.156 -1.142 -5.047 743 2HG2 VAL 92 2HG2 VAL 92 3.480 -0.446 -6.637 744 3HG2 VAL 92 3HG2 VAL 92 1.824 -0.814 -6.156 745 H LYS 93 H LYS 93 2.953 3.777 -5.083 746 HA LYS 93 HA LYS 93 0.991 4.698 -3.258 747 1HB LYS 93 2HB LYS 93 2.969 5.741 -2.744 748 2HB LYS 93 1HB LYS 93 3.534 5.692 -4.412 749 1HG LYS 93 2HG LYS 93 2.176 7.605 -5.002 750 2HG LYS 93 1HG LYS 93 1.385 7.590 -3.424 751 1HD LYS 93 2HD LYS 93 3.388 8.247 -2.316 752 2HD LYS 93 1HD LYS 93 4.362 7.958 -3.759 753 1HE LYS 93 2HE LYS 93 4.053 10.321 -3.668 754 2HE LYS 93 1HE LYS 93 2.939 9.745 -4.908 755 1HZ LYS 93 1HZ LYS 93 1.387 9.605 -2.864 756 2HZ LYS 93 2HZ LYS 93 1.570 10.988 -3.647 757 3HZ LYS 93 3HZ LYS 93 2.353 10.738 -2.274 758 H ASP 94 H ASP 94 2.011 5.879 -6.454 759 HA ASP 94 HA ASP 94 0.237 7.831 -7.036 760 1HB ASP 94 2HB ASP 94 2.004 6.765 -8.539 761 2HB ASP 94 1HB ASP 94 0.761 5.596 -8.989 762 H LEU 95 H LEU 95 -0.613 4.452 -6.552 763 HA LEU 95 HA LEU 95 -3.253 4.892 -7.730 764 1HB LEU 95 2HB LEU 95 -2.545 2.462 -6.133 765 2HB LEU 95 1HB LEU 95 -3.545 2.597 -7.578 766 HG LEU 95 HG LEU 95 -0.530 2.654 -7.393 767 1HD1 LEU 95 1HD1 LEU 95 -2.359 0.624 -7.818 768 2HD1 LEU 95 2HD1 LEU 95 -0.659 0.580 -8.288 769 3HD1 LEU 95 3HD1 LEU 95 -1.886 1.076 -9.456 770 1HD2 LEU 95 1HD2 LEU 95 -2.251 4.097 -9.216 771 2HD2 LEU 95 2HD2 LEU 95 -1.358 2.854 -10.092 772 3HD2 LEU 95 3HD2 LEU 95 -0.489 4.068 -9.153 773 H LEU 96 H LEU 96 -1.679 4.292 -4.607 774 HA LEU 96 HA LEU 96 -3.750 4.097 -2.867 775 1HB LEU 96 2HB LEU 96 -1.320 5.899 -2.619 776 2HB LEU 96 1HB LEU 96 -2.353 5.438 -1.275 777 HG LEU 96 HG LEU 96 -0.398 3.778 -2.826 778 1HD1 LEU 96 1HD1 LEU 96 -1.147 4.293 0.035 779 2HD1 LEU 96 2HD1 LEU 96 0.438 4.371 -0.735 780 3HD1 LEU 96 3HD1 LEU 96 -0.295 2.806 -0.384 781 1HD2 LEU 96 1HD2 LEU 96 -3.036 2.847 -1.735 782 2HD2 LEU 96 2HD2 LEU 96 -1.637 1.776 -1.658 783 3HD2 LEU 96 3HD2 LEU 96 -2.215 2.364 -3.218 784 H GLN 97 H GLN 97 -2.411 7.256 -3.895 785 HA GLN 97 HA GLN 97 -4.654 8.677 -2.769 786 1HB GLN 97 2HB GLN 97 -3.803 10.627 -3.849 787 2HB GLN 97 1HB GLN 97 -2.444 9.754 -3.153 788 1HG GLN 97 2HG GLN 97 -3.006 8.872 -5.863 789 2HG GLN 97 1HG GLN 97 -2.716 10.614 -5.808 790 1HE2 GLN 97 1HE2 GLN 97 -1.285 7.468 -5.231 791 2HE2 GLN 97 2HE2 GLN 97 0.293 8.019 -4.974 792 H GLN 98 H GLN 98 -4.568 6.728 -5.374 793 HA GLN 98 HA GLN 98 -6.386 8.324 -7.017 794 1HB GLN 98 2HB GLN 98 -4.424 6.686 -7.802 795 2HB GLN 98 1HB GLN 98 -5.711 5.487 -7.659 796 1HG GLN 98 2HG GLN 98 -6.813 7.779 -8.947 797 2HG GLN 98 1HG GLN 98 -5.294 7.391 -9.757 798 1HE2 GLN 98 1HE2 GLN 98 -5.058 4.841 -10.125 799 2HE2 GLN 98 2HE2 GLN 98 -6.451 4.071 -10.715 800 H LEU 99 H LEU 99 -6.314 5.639 -4.763 801 HA LEU 99 HA LEU 99 -9.119 4.985 -5.339 802 1HB LEU 99 2HB LEU 99 -7.641 3.773 -3.046 803 2HB LEU 99 1HB LEU 99 -8.778 3.021 -4.162 804 HG LEU 99 HG LEU 99 -6.691 3.736 -5.828 805 1HD1 LEU 99 1HD1 LEU 99 -5.534 2.643 -3.257 806 2HD1 LEU 99 2HD1 LEU 99 -5.390 4.326 -3.759 807 3HD1 LEU 99 3HD1 LEU 99 -4.647 3.050 -4.724 808 1HD2 LEU 99 1HD2 LEU 99 -7.928 1.373 -4.809 809 2HD2 LEU 99 2HD2 LEU 99 -6.180 1.127 -4.785 810 3HD2 LEU 99 3HD2 LEU 99 -6.991 1.553 -6.294 811 H LEU 100 H LEU 100 -7.158 6.705 -3.031 812 HA LEU 100 HA LEU 100 -8.569 6.781 -0.743 813 1HB LEU 100 2HB LEU 100 -6.734 8.524 -2.053 814 2HB LEU 100 1HB LEU 100 -8.043 9.514 -1.405 815 HG LEU 100 HG LEU 100 -6.748 7.369 0.271 816 1HD1 LEU 100 1HD1 LEU 100 -5.413 9.631 -0.779 817 2HD1 LEU 100 2HD1 LEU 100 -4.863 8.574 0.521 818 3HD1 LEU 100 3HD1 LEU 100 -5.797 10.021 0.897 819 1HD2 LEU 100 1HD2 LEU 100 -8.789 8.234 1.185 820 2HD2 LEU 100 2HD2 LEU 100 -8.341 9.893 0.786 821 3HD2 LEU 100 3HD2 LEU 100 -7.485 9.032 2.065 822 HA PRO 101 HA PRO 101 -11.703 9.734 -2.889 823 1HB PRO 101 2HB PRO 101 -11.402 8.699 -5.658 824 2HB PRO 101 1HB PRO 101 -11.663 10.364 -5.114 825 1HG PRO 101 2HG PRO 101 -9.256 9.406 -6.009 826 2HG PRO 101 1HG PRO 101 -9.400 10.741 -4.852 827 1HD PRO 101 2HD PRO 101 -8.454 8.011 -4.402 828 2HD PRO 101 1HD PRO 101 -8.305 9.433 -3.352 829 H LYS 102 H LYS 102 -11.258 6.469 -2.933 830 HA LYS 102 HA LYS 102 -13.796 5.645 -4.088 831 1HB LYS 102 2HB LYS 102 -11.883 4.231 -4.432 832 2HB LYS 102 1HB LYS 102 -11.492 4.278 -2.712 833 1HG LYS 102 2HG LYS 102 -12.919 2.634 -2.202 834 2HG LYS 102 1HG LYS 102 -14.190 3.275 -3.252 835 1HD LYS 102 2HD LYS 102 -11.733 1.834 -4.284 836 2HD LYS 102 1HD LYS 102 -13.269 1.025 -3.966 837 1HE LYS 102 2HE LYS 102 -14.399 2.271 -5.642 838 2HE LYS 102 1HE LYS 102 -13.098 3.456 -5.751 839 1HZ LYS 102 1HZ LYS 102 -13.159 1.741 -7.520 840 2HZ LYS 102 2HZ LYS 102 -12.716 0.654 -6.433 841 3HZ LYS 102 3HZ LYS 102 -11.749 1.882 -6.776 842 H PHE 103 H PHE 103 -12.238 5.538 -0.901 843 HA PHE 103 HA PHE 103 -14.846 4.868 0.275 844 1HB PHE 103 2HB PHE 103 -13.194 4.416 2.329 845 2HB PHE 103 1HB PHE 103 -13.385 3.224 1.042 846 HD1 PHE 103 HD1 PHE 103 -11.767 3.115 -0.808 847 HD2 PHE 103 HD2 PHE 103 -11.162 5.668 2.587 848 HE1 PHE 103 HE1 PHE 103 -9.422 3.435 -1.480 849 HE2 PHE 103 HE2 PHE 103 -8.793 5.985 1.930 850 HZ PHE 103 HZ PHE 103 -7.922 4.879 -0.109 851 H LYS 104 H LYS 104 -12.855 7.492 -0.224 852 HA LYS 104 HA LYS 104 -14.315 9.017 1.769 853 1HB LYS 104 2HB LYS 104 -11.746 8.033 2.410 854 2HB LYS 104 1HB LYS 104 -11.537 9.744 2.034 855 1HG LYS 104 2HG LYS 104 -12.086 9.733 4.336 856 2HG LYS 104 1HG LYS 104 -13.607 10.127 3.536 857 1HD LYS 104 2HD LYS 104 -14.497 7.990 3.883 858 2HD LYS 104 1HD LYS 104 -12.907 7.258 4.101 859 1HE LYS 104 2HE LYS 104 -13.521 7.368 6.313 860 2HE LYS 104 1HE LYS 104 -12.848 8.991 6.155 861 1HZ LYS 104 1HZ LYS 104 -14.977 9.171 7.088 862 2HZ LYS 104 2HZ LYS 104 -15.657 8.240 5.978 863 3HZ LYS 104 3HZ LYS 104 -15.117 9.693 5.581 864 H ARG 105 H ARG 105 -15.104 10.466 0.303 865 HA ARG 105 HA ARG 105 -13.159 12.172 -1.054 866 1HB ARG 105 2HB ARG 105 -14.822 11.884 -3.136 867 2HB ARG 105 1HB ARG 105 -13.406 10.854 -2.927 868 1HG ARG 105 2HG ARG 105 -14.657 9.021 -2.309 869 2HG ARG 105 1HG ARG 105 -15.924 10.002 -1.571 870 1HD ARG 105 2HD ARG 105 -16.905 10.513 -3.668 871 2HD ARG 105 1HD ARG 105 -15.472 9.995 -4.556 872 HE ARG 105 HE ARG 105 -16.283 7.736 -3.244 873 1HH1 ARG 105 1HH2 ARG 105 -17.740 10.086 -5.318 874 2HH1 ARG 105 2HH2 ARG 105 -18.861 8.964 -6.013 875 1HH2 ARG 105 1HH1 ARG 105 -17.741 6.268 -4.145 876 2HH2 ARG 105 2HH1 ARG 105 -18.862 6.807 -5.351 877 H LYS 106 H LYS 106 -16.617 11.729 -1.726 878 HA LYS 106 HA LYS 106 -17.021 14.488 -0.770 879 1HB LYS 106 2HB LYS 106 -17.813 13.231 -3.105 880 2HB LYS 106 1HB LYS 106 -19.269 13.170 -2.111 881 1HG LYS 106 2HG LYS 106 -19.342 15.252 -3.307 882 2HG LYS 106 1HG LYS 106 -18.921 15.640 -1.639 883 1HD LYS 106 2HD LYS 106 -16.455 15.161 -2.822 884 2HD LYS 106 1HD LYS 106 -17.353 16.009 -4.081 885 1HE LYS 106 2HE LYS 106 -17.797 17.869 -2.641 886 2HE LYS 106 1HE LYS 106 -17.240 16.985 -1.220 887 1HZ LYS 106 1HZ LYS 106 -15.739 18.499 -2.976 888 2HZ LYS 106 2HZ LYS 106 -15.214 16.990 -3.065 889 3HZ LYS 106 3HZ LYS 106 -15.244 17.744 -1.654 890 H ALA 107 H ALA 107 -19.861 14.190 -0.424 891 HA ALA 107 HA ALA 107 -19.820 12.693 2.117 892 1HB ALA 107 1HB ALA 107 -22.010 14.046 2.445 893 2HB ALA 107 2HB ALA 107 -21.448 15.005 1.075 894 3HB ALA 107 3HB ALA 107 -20.479 14.914 2.546 895 H ASN 108 H ASN 108 -21.686 11.347 2.623 896 HA ASN 108 HA ASN 108 -23.289 10.578 0.265 897 1HB ASN 108 2HB ASN 108 -21.555 8.853 2.004 898 2HB ASN 108 1HB ASN 108 -23.031 8.177 1.316 899 1HD2 ASN 108 1HD2 ASN 108 -20.477 7.215 0.484 900 2HD2 ASN 108 2HD2 ASN 108 -20.223 7.676 -1.130 Start of MODEL 7 1 1H MET 1 1H MET 1 -12.895 -14.109 -12.214 2 2H MET 1 2H MET 1 -13.992 -12.963 -12.005 3 3H MET 1 3H MET 1 -14.024 -13.869 -13.323 4 HA MET 1 HA MET 1 -15.646 -14.933 -12.218 5 1HB MET 1 2HB MET 1 -13.335 -16.294 -12.425 6 2HB MET 1 1HB MET 1 -13.486 -16.280 -10.668 7 1HG MET 1 2HG MET 1 -15.818 -17.158 -10.911 8 2HG MET 1 1HG MET 1 -15.545 -17.294 -12.648 9 1HE MET 1 1HE MET 1 -15.026 -20.619 -12.929 10 2HE MET 1 2HE MET 1 -13.747 -19.644 -13.648 11 3HE MET 1 3HE MET 1 -15.384 -19.000 -13.545 12 H ALA 2 H ALA 2 -13.343 -13.272 -10.200 13 HA ALA 2 HA ALA 2 -14.128 -13.800 -7.643 14 1HB ALA 2 1HB ALA 2 -14.059 -10.972 -7.822 15 2HB ALA 2 2HB ALA 2 -12.923 -11.583 -9.025 16 3HB ALA 2 3HB ALA 2 -12.752 -12.051 -7.333 17 H THR 3 H THR 3 -16.140 -14.004 -6.821 18 HA THR 3 HA THR 3 -18.272 -12.298 -7.946 19 HB THR 3 HB THR 3 -19.103 -14.451 -8.098 20 HG1 THR 3 HG1 THR 3 -20.631 -13.585 -6.861 21 1HG2 THR 3 1HG2 THR 3 -18.670 -16.068 -6.053 22 2HG2 THR 3 2HG2 THR 3 -17.318 -14.978 -5.751 23 3HG2 THR 3 3HG2 THR 3 -17.430 -15.839 -7.286 24 H SER 4 H SER 4 -18.434 -13.830 -4.790 25 HA SER 4 HA SER 4 -19.511 -11.756 -3.407 26 1HB SER 4 2HB SER 4 -17.668 -12.848 -1.598 27 2HB SER 4 1HB SER 4 -19.333 -13.366 -1.850 28 HG SER 4 HG SER 4 -18.515 -15.131 -2.620 29 H SER 5 H SER 5 -15.970 -12.371 -3.490 30 HA SER 5 HA SER 5 -15.458 -9.755 -2.385 31 1HB SER 5 2HB SER 5 -13.130 -10.858 -3.609 32 2HB SER 5 1HB SER 5 -13.502 -10.729 -1.892 33 HG SER 5 HG SER 5 -13.794 -12.868 -3.648 34 H GLU 6 H GLU 6 -13.439 -8.675 -3.774 35 HA GLU 6 HA GLU 6 -14.591 -8.201 -6.455 36 1HB GLU 6 2HB GLU 6 -12.892 -6.261 -4.890 37 2HB GLU 6 1HB GLU 6 -13.902 -5.936 -6.295 38 1HG GLU 6 2HG GLU 6 -15.188 -5.137 -4.479 39 2HG GLU 6 1HG GLU 6 -15.874 -6.724 -4.831 40 H GLU 7 H GLU 7 -12.863 -7.558 -8.100 41 HA GLU 7 HA GLU 7 -10.798 -9.435 -8.175 42 1HB GLU 7 2HB GLU 7 -10.980 -6.795 -9.650 43 2HB GLU 7 1HB GLU 7 -10.069 -8.223 -10.141 44 1HG GLU 7 2HG GLU 7 -12.677 -9.158 -9.718 45 2HG GLU 7 1HG GLU 7 -12.882 -7.616 -10.550 46 H VAL 8 H VAL 8 -8.437 -8.848 -8.309 47 HA VAL 8 HA VAL 8 -7.790 -7.085 -6.058 48 HB VAL 8 HB VAL 8 -6.859 -9.318 -5.929 49 1HG1 VAL 8 1HG1 VAL 8 -5.060 -9.452 -8.097 50 2HG1 VAL 8 2HG1 VAL 8 -6.603 -8.947 -8.786 51 3HG1 VAL 8 3HG1 VAL 8 -6.501 -10.437 -7.848 52 1HG2 VAL 8 1HG2 VAL 8 -4.442 -8.806 -5.905 53 2HG2 VAL 8 2HG2 VAL 8 -5.373 -7.477 -5.217 54 3HG2 VAL 8 3HG2 VAL 8 -4.739 -7.353 -6.859 55 H LEU 9 H LEU 9 -6.079 -5.543 -6.317 56 HA LEU 9 HA LEU 9 -6.158 -4.383 -9.009 57 1HB LEU 9 2HB LEU 9 -6.864 -2.882 -7.326 58 2HB LEU 9 1HB LEU 9 -5.488 -3.265 -6.296 59 HG LEU 9 HG LEU 9 -3.961 -2.149 -7.757 60 1HD1 LEU 9 1HD1 LEU 9 -5.388 -1.027 -9.837 61 2HD1 LEU 9 2HD1 LEU 9 -6.103 -2.634 -9.709 62 3HD1 LEU 9 3HD1 LEU 9 -4.367 -2.459 -9.966 63 1HD2 LEU 9 1HD2 LEU 9 -5.337 -0.668 -6.335 64 2HD2 LEU 9 2HD2 LEU 9 -6.527 -0.532 -7.630 65 3HD2 LEU 9 3HD2 LEU 9 -4.906 0.123 -7.848 66 H LEU 10 H LEU 10 -3.486 -4.833 -6.523 67 HA LEU 10 HA LEU 10 -1.788 -5.506 -8.788 68 1HB LEU 10 2HB LEU 10 -1.778 -3.091 -8.973 69 2HB LEU 10 1HB LEU 10 -1.376 -2.928 -7.264 70 HG LEU 10 HG LEU 10 0.721 -4.266 -7.728 71 1HD1 LEU 10 1HD1 LEU 10 -0.173 -5.250 -9.871 72 2HD1 LEU 10 2HD1 LEU 10 1.435 -4.542 -10.026 73 3HD1 LEU 10 3HD1 LEU 10 0.024 -3.664 -10.617 74 1HD2 LEU 10 1HD2 LEU 10 1.921 -2.359 -8.690 75 2HD2 LEU 10 2HD2 LEU 10 0.691 -1.776 -7.569 76 3HD2 LEU 10 3HD2 LEU 10 0.410 -1.692 -9.308 77 H ILE 11 H ILE 11 0.212 -6.387 -8.191 78 HA ILE 11 HA ILE 11 0.547 -6.847 -5.290 79 HB ILE 11 HB ILE 11 0.029 -8.973 -6.030 80 1HG1 ILE 11 2HG1 ILE 11 2.494 -8.841 -5.241 81 2HG1 ILE 11 1HG1 ILE 11 1.991 -10.293 -6.097 82 1HG2 ILE 11 1HG2 ILE 11 0.625 -9.817 -8.305 83 2HG2 ILE 11 2HG2 ILE 11 1.353 -8.247 -8.652 84 3HG2 ILE 11 3HG2 ILE 11 -0.382 -8.369 -8.351 85 1HD1 ILE 11 1HD1 ILE 11 4.041 -8.395 -6.817 86 2HD1 ILE 11 2HD1 ILE 11 2.840 -8.492 -8.101 87 3HD1 ILE 11 3HD1 ILE 11 3.662 -9.949 -7.554 88 H VAL 12 H VAL 12 2.489 -6.214 -4.517 89 HA VAL 12 HA VAL 12 4.666 -5.911 -6.481 90 HB VAL 12 HB VAL 12 5.367 -3.863 -5.485 91 1HG1 VAL 12 1HG1 VAL 12 3.719 -3.004 -6.787 92 2HG1 VAL 12 2HG1 VAL 12 2.873 -2.731 -5.264 93 3HG1 VAL 12 3HG1 VAL 12 2.532 -4.176 -6.216 94 1HG2 VAL 12 1HG2 VAL 12 5.214 -3.852 -3.223 95 2HG2 VAL 12 2HG2 VAL 12 3.776 -4.870 -3.217 96 3HG2 VAL 12 3HG2 VAL 12 3.627 -3.136 -3.495 97 H LYS 13 H LYS 13 6.506 -6.933 -5.829 98 HA LYS 13 HA LYS 13 6.350 -8.468 -3.376 99 1HB LYS 13 2HB LYS 13 7.777 -8.648 -5.832 100 2HB LYS 13 1HB LYS 13 8.957 -8.600 -4.521 101 1HG LYS 13 2HG LYS 13 6.583 -10.332 -4.089 102 2HG LYS 13 1HG LYS 13 7.745 -10.880 -5.299 103 1HD LYS 13 2HD LYS 13 9.570 -10.603 -3.629 104 2HD LYS 13 1HD LYS 13 8.365 -10.156 -2.421 105 1HE LYS 13 2HE LYS 13 7.266 -12.458 -3.279 106 2HE LYS 13 1HE LYS 13 8.961 -12.821 -3.605 107 1HZ LYS 13 1HZ LYS 13 9.359 -12.075 -1.294 108 2HZ LYS 13 2HZ LYS 13 8.536 -13.441 -1.414 109 3HZ LYS 13 3HZ LYS 13 7.776 -12.080 -1.053 110 H LYS 14 H LYS 14 9.228 -6.791 -4.406 111 HA LYS 14 HA LYS 14 10.214 -6.329 -1.921 112 1HB LYS 14 2HB LYS 14 10.758 -5.374 -4.564 113 2HB LYS 14 1HB LYS 14 10.903 -4.034 -3.424 114 1HG LYS 14 2HG LYS 14 13.021 -5.392 -3.742 115 2HG LYS 14 1HG LYS 14 12.474 -5.250 -2.069 116 1HD LYS 14 2HD LYS 14 11.869 -7.461 -1.932 117 2HD LYS 14 1HD LYS 14 11.423 -7.554 -3.636 118 1HE LYS 14 2HE LYS 14 14.290 -7.291 -2.702 119 2HE LYS 14 1HE LYS 14 13.515 -8.849 -2.991 120 1HZ LYS 14 1HZ LYS 14 14.425 -6.934 -4.867 121 2HZ LYS 14 2HZ LYS 14 12.955 -7.476 -5.191 122 3HZ LYS 14 3HZ LYS 14 14.174 -8.504 -5.060 123 H VAL 15 H VAL 15 9.380 -5.350 -0.237 124 HA VAL 15 HA VAL 15 8.487 -2.608 -0.593 125 HB VAL 15 HB VAL 15 6.568 -4.436 0.867 126 1HG1 VAL 15 1HG1 VAL 15 6.418 -1.494 0.227 127 2HG1 VAL 15 2HG1 VAL 15 6.842 -2.142 1.812 128 3HG1 VAL 15 3HG1 VAL 15 5.242 -2.441 1.133 129 1HG2 VAL 15 1HG2 VAL 15 6.836 -3.754 -1.884 130 2HG2 VAL 15 2HG2 VAL 15 5.435 -2.925 -1.241 131 3HG2 VAL 15 3HG2 VAL 15 5.562 -4.675 -1.114 132 H ARG 16 H ARG 16 8.787 -1.351 1.169 133 HA ARG 16 HA ARG 16 10.216 -2.651 3.406 134 1HB ARG 16 2HB ARG 16 11.911 -1.521 2.204 135 2HB ARG 16 1HB ARG 16 10.833 -0.237 1.701 136 1HG ARG 16 2HG ARG 16 11.298 1.006 3.516 137 2HG ARG 16 1HG ARG 16 11.051 -0.353 4.602 138 1HD ARG 16 2HD ARG 16 13.569 0.561 3.249 139 2HD ARG 16 1HD ARG 16 13.318 0.106 4.932 140 HE ARG 16 HE ARG 16 12.886 -2.223 3.573 141 1HH1 ARG 16 1HH2 ARG 16 15.353 0.198 3.689 142 2HH1 ARG 16 2HH2 ARG 16 16.629 -0.901 3.289 143 1HH2 ARG 16 1HH1 ARG 16 14.550 -3.659 3.036 144 2HH2 ARG 16 2HH1 ARG 16 16.177 -3.078 2.923 145 H GLN 17 H GLN 17 9.394 -2.118 5.338 146 HA GLN 17 HA GLN 17 7.880 0.385 5.514 147 1HB GLN 17 2HB GLN 17 6.026 -0.685 6.601 148 2HB GLN 17 1HB GLN 17 6.334 -1.621 5.148 149 1HG GLN 17 2HG GLN 17 7.564 -3.269 6.431 150 2HG GLN 17 1HG GLN 17 7.385 -2.298 7.891 151 1HE2 GLN 17 1HE2 GLN 17 5.688 -4.444 5.660 152 2HE2 GLN 17 2HE2 GLN 17 4.276 -4.593 6.590 153 H LYS 18 H LYS 18 8.465 1.427 7.347 154 HA LYS 18 HA LYS 18 10.752 1.149 8.596 155 1HB LYS 18 2HB LYS 18 8.305 2.423 9.311 156 2HB LYS 18 1HB LYS 18 9.011 1.731 10.772 157 1HG LYS 18 2HG LYS 18 10.993 2.971 10.558 158 2HG LYS 18 1HG LYS 18 10.732 3.268 8.839 159 1HD LYS 18 2HD LYS 18 9.106 4.915 9.237 160 2HD LYS 18 1HD LYS 18 8.794 4.342 10.877 161 1HE LYS 18 2HE LYS 18 10.592 5.459 11.758 162 2HE LYS 18 1HE LYS 18 11.566 5.250 10.303 163 1HZ LYS 18 1HZ LYS 18 9.517 7.234 10.817 164 2HZ LYS 18 2HZ LYS 18 9.919 6.863 9.314 165 3HZ LYS 18 3HZ LYS 18 11.018 7.462 10.310 166 H LYS 19 H LYS 19 8.161 -1.150 9.174 167 HA LYS 19 HA LYS 19 9.486 -2.193 11.529 168 1HB LYS 19 2HB LYS 19 7.584 -3.442 11.833 169 2HB LYS 19 1HB LYS 19 6.891 -2.267 10.727 170 1HG LYS 19 2HG LYS 19 7.152 -3.800 8.836 171 2HG LYS 19 1HG LYS 19 8.088 -4.918 9.810 172 1HD LYS 19 2HD LYS 19 5.531 -5.333 9.325 173 2HD LYS 19 1HD LYS 19 6.213 -5.715 10.911 174 1HE LYS 19 2HE LYS 19 5.384 -3.651 11.850 175 2HE LYS 19 1HE LYS 19 4.915 -3.054 10.260 176 1HZ LYS 19 1HZ LYS 19 3.164 -4.467 10.200 177 2HZ LYS 19 2HZ LYS 19 3.194 -4.168 11.772 178 3HZ LYS 19 3HZ LYS 19 3.797 -5.538 11.207 179 H GLN 20 H GLN 20 8.797 -3.412 8.272 180 HA GLN 20 HA GLN 20 11.279 -4.960 8.259 181 1HB GLN 20 2HB GLN 20 8.497 -6.095 8.120 182 2HB GLN 20 1HB GLN 20 9.922 -6.986 7.583 183 1HG GLN 20 2HG GLN 20 9.705 -5.755 10.315 184 2HG GLN 20 1HG GLN 20 9.181 -7.405 9.990 185 1HE2 GLN 20 1HE2 GLN 20 11.090 -8.505 8.419 186 2HE2 GLN 20 2HE2 GLN 20 12.632 -8.401 9.121 187 H ASP 21 H ASP 21 11.522 -6.122 6.119 188 HA ASP 21 HA ASP 21 10.332 -4.444 3.996 189 1HB ASP 21 2HB ASP 21 12.560 -6.367 3.416 190 2HB ASP 21 1HB ASP 21 12.294 -4.753 2.749 191 H GLY 22 H GLY 22 8.913 -5.512 2.793 192 1HA GLY 22 2HA GLY 22 8.756 -8.385 2.623 193 2HA GLY 22 1HA GLY 22 7.529 -7.674 3.644 194 H ALA 23 H ALA 23 6.791 -8.977 1.212 195 HA ALA 23 HA ALA 23 6.496 -6.923 -0.730 196 1HB ALA 23 1HB ALA 23 5.020 -8.721 -1.840 197 2HB ALA 23 2HB ALA 23 5.550 -9.764 -0.520 198 3HB ALA 23 3HB ALA 23 6.735 -9.078 -1.633 199 H LEU 24 H LEU 24 4.690 -6.266 -1.573 200 HA LEU 24 HA LEU 24 2.379 -5.939 0.298 201 1HB LEU 24 2HB LEU 24 3.916 -3.879 -1.049 202 2HB LEU 24 1HB LEU 24 2.207 -3.709 -1.368 203 HG LEU 24 HG LEU 24 3.565 -3.854 1.328 204 1HD1 LEU 24 1HD1 LEU 24 3.594 -1.612 0.948 205 2HD1 LEU 24 2HD1 LEU 24 1.856 -1.680 1.234 206 3HD1 LEU 24 3HD1 LEU 24 2.482 -1.744 -0.413 207 1HD2 LEU 24 1HD2 LEU 24 1.638 -4.949 1.918 208 2HD2 LEU 24 2HD2 LEU 24 0.764 -4.393 0.491 209 3HD2 LEU 24 3HD2 LEU 24 0.957 -3.323 1.879 210 H TYR 25 H TYR 25 0.521 -6.727 -0.378 211 HA TYR 25 HA TYR 25 -0.016 -7.056 -3.274 212 1HB TYR 25 2HB TYR 25 -0.840 -8.522 -0.776 213 2HB TYR 25 1HB TYR 25 -1.877 -8.569 -2.201 214 HD1 TYR 25 HD1 TYR 25 1.133 -9.799 -0.653 215 HD2 TYR 25 HD2 TYR 25 -0.945 -9.346 -4.369 216 HE1 TYR 25 HE1 TYR 25 2.571 -11.550 -1.641 217 HE2 TYR 25 HE2 TYR 25 0.486 -11.122 -5.381 218 HH TYR 25 HH TYR 25 1.922 -13.252 -4.154 219 H LEU 26 H LEU 26 -1.678 -5.530 -4.028 220 HA LEU 26 HA LEU 26 -3.294 -4.444 -1.818 221 1HB LEU 26 2HB LEU 26 -1.869 -2.814 -3.038 222 2HB LEU 26 1HB LEU 26 -2.683 -3.258 -4.538 223 HG LEU 26 HG LEU 26 -4.390 -2.471 -2.214 224 1HD1 LEU 26 1HD1 LEU 26 -2.461 -0.715 -3.644 225 2HD1 LEU 26 2HD1 LEU 26 -3.102 -0.578 -2.007 226 3HD1 LEU 26 3HD1 LEU 26 -4.082 -0.072 -3.383 227 1HD2 LEU 26 1HD2 LEU 26 -4.458 -2.147 -5.225 228 2HD2 LEU 26 2HD2 LEU 26 -5.636 -1.386 -4.157 229 3HD2 LEU 26 3HD2 LEU 26 -5.518 -3.144 -4.229 230 H MET 27 H MET 27 -5.463 -4.689 -1.917 231 HA MET 27 HA MET 27 -6.567 -5.988 -4.331 232 1HB MET 27 2HB MET 27 -6.850 -7.408 -2.405 233 2HB MET 27 1HB MET 27 -7.407 -6.058 -1.423 234 1HG MET 27 2HG MET 27 -9.535 -6.249 -2.176 235 2HG MET 27 1HG MET 27 -9.004 -6.420 -3.848 236 1HE MET 27 1HE MET 27 -7.373 -8.210 -4.322 237 2HE MET 27 2HE MET 27 -8.094 -9.808 -4.497 238 3HE MET 27 3HE MET 27 -6.995 -9.488 -3.158 239 H ALA 28 H ALA 28 -8.628 -5.194 -5.063 240 HA ALA 28 HA ALA 28 -8.934 -2.568 -5.471 241 1HB ALA 28 1HB ALA 28 -10.495 -4.773 -5.936 242 2HB ALA 28 2HB ALA 28 -10.956 -3.118 -6.340 243 3HB ALA 28 3HB ALA 28 -11.511 -3.844 -4.832 244 H GLU 29 H GLU 29 -10.594 -4.148 -2.621 245 HA GLU 29 HA GLU 29 -10.991 -1.433 -1.592 246 1HB GLU 29 2HB GLU 29 -12.911 -2.948 -1.804 247 2HB GLU 29 1HB GLU 29 -12.067 -4.130 -0.798 248 1HG GLU 29 2HG GLU 29 -12.811 -3.119 1.070 249 2HG GLU 29 1HG GLU 29 -12.105 -1.587 0.562 250 H ARG 30 H ARG 30 -8.402 -3.252 -1.316 251 HA ARG 30 HA ARG 30 -7.943 -2.366 1.378 252 1HB ARG 30 2HB ARG 30 -8.102 -4.243 2.605 253 2HB ARG 30 1HB ARG 30 -9.263 -4.705 1.367 254 1HG ARG 30 2HG ARG 30 -6.908 -5.558 0.252 255 2HG ARG 30 1HG ARG 30 -6.584 -5.793 1.969 256 1HD ARG 30 2HD ARG 30 -7.649 -7.792 0.912 257 2HD ARG 30 1HD ARG 30 -8.618 -7.112 2.216 258 HE ARG 30 HE ARG 30 -9.485 -5.851 -0.087 259 1HH1 ARG 30 1HH2 ARG 30 -9.125 -9.082 1.087 260 2HH1 ARG 30 2HH2 ARG 30 -10.458 -9.700 0.171 261 1HH2 ARG 30 1HH1 ARG 30 -11.226 -6.649 -1.284 262 2HH2 ARG 30 2HH1 ARG 30 -11.645 -8.325 -1.170 263 H ILE 31 H ILE 31 -5.845 -3.075 2.252 264 HA ILE 31 HA ILE 31 -3.907 -3.437 0.041 265 HB ILE 31 HB ILE 31 -4.037 -1.488 2.266 266 1HG1 ILE 31 2HG1 ILE 31 -3.891 -1.053 -0.230 267 2HG1 ILE 31 1HG1 ILE 31 -2.707 -0.185 0.748 268 1HG2 ILE 31 1HG2 ILE 31 -1.373 -1.576 2.250 269 2HG2 ILE 31 2HG2 ILE 31 -1.656 -3.290 1.949 270 3HG2 ILE 31 3HG2 ILE 31 -2.300 -2.531 3.403 271 1HD1 ILE 31 1HD1 ILE 31 -2.245 -2.087 -1.370 272 2HD1 ILE 31 2HD1 ILE 31 -1.536 -2.687 0.126 273 3HD1 ILE 31 3HD1 ILE 31 -1.072 -1.104 -0.496 274 H ALA 32 H ALA 32 -2.215 -5.014 0.486 275 HA ALA 32 HA ALA 32 -2.561 -6.458 3.024 276 1HB ALA 32 1HB ALA 32 -3.912 -7.596 1.299 277 2HB ALA 32 2HB ALA 32 -2.579 -8.603 1.863 278 3HB ALA 32 3HB ALA 32 -2.463 -7.776 0.310 279 H TRP 33 H TRP 33 -0.827 -7.505 3.813 280 HA TRP 33 HA TRP 33 1.726 -6.920 2.424 281 1HB TRP 33 2HB TRP 33 1.267 -5.823 4.670 282 2HB TRP 33 1HB TRP 33 1.376 -7.419 5.366 283 HD1 TRP 33 HD1 TRP 33 3.486 -6.021 2.540 284 HE1 TRP 33 HE1 TRP 33 5.929 -5.992 3.311 285 HE3 TRP 33 HE3 TRP 33 3.049 -7.752 7.332 286 HZ2 TRP 33 HZ2 TRP 33 7.505 -6.585 5.467 287 HZ3 TRP 33 HZ3 TRP 33 5.087 -8.060 8.701 288 HH2 TRP 33 HH2 TRP 33 7.324 -7.506 7.767 289 H ALA 34 H ALA 34 3.281 -8.495 2.326 290 HA ALA 34 HA ALA 34 2.776 -11.093 3.478 291 1HB ALA 34 1HB ALA 34 2.117 -10.522 0.747 292 2HB ALA 34 2HB ALA 34 1.808 -11.966 1.713 293 3HB ALA 34 3HB ALA 34 3.344 -11.786 0.863 294 HA PRO 35 HA PRO 35 7.152 -10.888 2.963 295 1HB PRO 35 2HB PRO 35 7.621 -11.441 5.718 296 2HB PRO 35 1HB PRO 35 7.676 -9.859 4.930 297 1HG PRO 35 2HG PRO 35 5.697 -10.857 6.782 298 2HG PRO 35 1HG PRO 35 5.788 -9.257 6.036 299 1HD PRO 35 2HD PRO 35 3.969 -11.405 5.412 300 2HD PRO 35 1HD PRO 35 4.029 -9.780 4.708 301 H GLU 36 H GLU 36 8.696 -12.593 4.785 302 HA GLU 36 HA GLU 36 8.076 -15.152 3.537 303 1HB GLU 36 2HB GLU 36 10.211 -15.861 4.359 304 2HB GLU 36 1HB GLU 36 10.430 -14.201 3.801 305 1HG GLU 36 2HG GLU 36 11.198 -13.679 5.851 306 2HG GLU 36 1HG GLU 36 9.581 -13.995 6.481 307 H GLY 37 H GLY 37 6.011 -14.444 5.215 308 1HA GLY 37 2HA GLY 37 6.340 -15.339 7.894 309 2HA GLY 37 1HA GLY 37 4.802 -15.133 7.055 310 H LYS 38 H LYS 38 3.775 -17.068 7.486 311 HA LYS 38 HA LYS 38 5.143 -19.467 6.456 312 1HB LYS 38 2HB LYS 38 4.636 -18.945 9.174 313 2HB LYS 38 1HB LYS 38 3.401 -20.101 8.676 314 1HG LYS 38 2HG LYS 38 5.168 -21.552 7.713 315 2HG LYS 38 1HG LYS 38 6.391 -20.411 8.276 316 1HD LYS 38 2HD LYS 38 5.781 -20.794 10.585 317 2HD LYS 38 1HD LYS 38 4.394 -21.772 10.104 318 1HE LYS 38 2HE LYS 38 5.667 -23.617 9.817 319 2HE LYS 38 1HE LYS 38 6.895 -22.722 8.922 320 1HZ LYS 38 1HZ LYS 38 6.639 -22.553 11.815 321 2HZ LYS 38 2HZ LYS 38 7.868 -22.063 10.915 322 3HZ LYS 38 3HZ LYS 38 7.589 -23.628 11.105 323 H ASP 39 H ASP 39 3.290 -17.974 4.991 324 HA ASP 39 HA ASP 39 1.301 -19.998 4.531 325 1HB ASP 39 2HB ASP 39 -0.515 -18.092 4.656 326 2HB ASP 39 1HB ASP 39 -0.061 -18.954 6.127 327 H ARG 40 H ARG 40 0.411 -16.788 3.625 328 HA ARG 40 HA ARG 40 2.066 -16.782 1.254 329 1HB ARG 40 2HB ARG 40 -0.742 -16.301 0.580 330 2HB ARG 40 1HB ARG 40 0.464 -17.256 -0.280 331 1HG ARG 40 2HG ARG 40 0.123 -19.137 1.252 332 2HG ARG 40 1HG ARG 40 -1.025 -18.184 2.194 333 1HD ARG 40 2HD ARG 40 -2.186 -19.705 0.619 334 2HD ARG 40 1HD ARG 40 -2.511 -18.013 0.243 335 HE ARG 40 HE ARG 40 -0.333 -18.627 -1.298 336 1HH1 ARG 40 1HH2 ARG 40 -3.477 -19.957 -0.755 337 2HH1 ARG 40 2HH2 ARG 40 -3.629 -20.582 -2.362 338 1HH2 ARG 40 1HH1 ARG 40 -0.523 -19.439 -3.394 339 2HH2 ARG 40 2HH1 ARG 40 -1.960 -20.290 -3.854 340 H PHE 41 H PHE 41 -0.689 -15.411 2.865 341 HA PHE 41 HA PHE 41 0.206 -12.711 2.133 342 1HB PHE 41 2HB PHE 41 -2.406 -13.891 3.031 343 2HB PHE 41 1HB PHE 41 -2.102 -12.161 3.220 344 HD1 PHE 41 HD1 PHE 41 -2.688 -14.884 0.857 345 HD2 PHE 41 HD2 PHE 41 -1.626 -10.740 1.261 346 HE1 PHE 41 HE1 PHE 41 -3.132 -14.541 -1.556 347 HE2 PHE 41 HE2 PHE 41 -2.072 -10.396 -1.161 348 HZ PHE 41 HZ PHE 41 -2.821 -12.304 -2.563 349 H THR 42 H THR 42 -0.593 -11.156 4.140 350 HA THR 42 HA THR 42 0.095 -12.357 6.674 351 HB THR 42 HB THR 42 2.147 -11.247 5.103 352 HG1 THR 42 HG1 THR 42 2.312 -11.615 7.874 353 1HG2 THR 42 1HG2 THR 42 1.164 -9.041 6.149 354 2HG2 THR 42 2HG2 THR 42 2.900 -9.309 6.096 355 3HG2 THR 42 3HG2 THR 42 2.010 -9.599 7.591 356 H ILE 43 H ILE 43 -0.882 -9.532 4.805 357 HA ILE 43 HA ILE 43 -2.345 -8.629 7.193 358 HB ILE 43 HB ILE 43 0.054 -7.451 6.316 359 1HG1 ILE 43 2HG1 ILE 43 -2.095 -6.800 8.286 360 2HG1 ILE 43 1HG1 ILE 43 -0.424 -7.293 8.573 361 1HG2 ILE 43 1HG2 ILE 43 -0.405 -5.348 5.419 362 2HG2 ILE 43 2HG2 ILE 43 -2.056 -5.339 6.030 363 3HG2 ILE 43 3HG2 ILE 43 -1.649 -6.294 4.617 364 1HD1 ILE 43 1HD1 ILE 43 -0.097 -5.065 8.965 365 2HD1 ILE 43 2HD1 ILE 43 -1.539 -4.612 8.057 366 3HD1 ILE 43 3HD1 ILE 43 -0.036 -4.966 7.199 367 H SER 44 H SER 44 -4.144 -7.365 6.718 368 HA SER 44 HA SER 44 -4.690 -6.619 3.975 369 1HB SER 44 2HB SER 44 -5.467 -8.780 3.609 370 2HB SER 44 1HB SER 44 -5.987 -8.985 5.279 371 HG SER 44 HG SER 44 -7.876 -8.435 4.551 372 H HIS 45 H HIS 45 -5.405 -4.573 4.361 373 HA HIS 45 HA HIS 45 -7.487 -4.284 6.444 374 1HB HIS 45 2HB HIS 45 -6.346 -1.746 5.880 375 2HB HIS 45 1HB HIS 45 -6.316 -2.629 7.400 376 HD1 HIS 45 HD1 HIS 45 -3.980 -2.601 8.212 377 HD2 HIS 45 HD2 HIS 45 -4.133 -3.213 4.097 378 HE1 HIS 45 HE1 HIS 45 -1.587 -2.873 7.438 379 H MET 46 H MET 46 -9.386 -3.877 5.505 380 HA MET 46 HA MET 46 -9.689 -3.185 2.777 381 1HB MET 46 2HB MET 46 -11.443 -3.569 5.088 382 2HB MET 46 1HB MET 46 -12.014 -2.300 4.005 383 1HG MET 46 2HG MET 46 -11.539 -4.001 2.105 384 2HG MET 46 1HG MET 46 -11.505 -5.207 3.391 385 1HE MET 46 1HE MET 46 -14.839 -6.348 2.718 386 2HE MET 46 2HE MET 46 -13.091 -6.565 2.734 387 3HE MET 46 3HE MET 46 -13.871 -5.859 1.321 388 H TYR 47 H TYR 47 -9.440 -1.211 1.834 389 HA TYR 47 HA TYR 47 -8.328 0.919 3.123 390 1HB TYR 47 2HB TYR 47 -9.947 0.725 0.620 391 2HB TYR 47 1HB TYR 47 -9.572 2.327 1.254 392 HD1 TYR 47 HD1 TYR 47 -6.833 1.508 2.546 393 HD2 TYR 47 HD2 TYR 47 -8.502 0.836 -1.378 394 HE1 TYR 47 HE1 TYR 47 -4.575 1.402 1.590 395 HE2 TYR 47 HE2 TYR 47 -6.234 0.734 -2.294 396 HH TYR 47 HH TYR 47 -3.410 1.536 -0.400 397 H ALA 48 H ALA 48 -11.907 0.462 2.756 398 HA ALA 48 HA ALA 48 -12.516 2.834 4.255 399 1HB ALA 48 1HB ALA 48 -14.076 0.314 3.634 400 2HB ALA 48 2HB ALA 48 -14.268 1.912 2.909 401 3HB ALA 48 3HB ALA 48 -14.755 1.637 4.583 402 H ASP 49 H ASP 49 -11.685 -0.355 4.971 403 HA ASP 49 HA ASP 49 -12.393 -0.492 7.765 404 1HB ASP 49 2HB ASP 49 -10.665 -2.111 5.967 405 2HB ASP 49 1HB ASP 49 -10.304 -2.190 7.685 406 H ILE 50 H ILE 50 -10.296 1.445 6.173 407 HA ILE 50 HA ILE 50 -8.868 2.084 8.636 408 HB ILE 50 HB ILE 50 -6.744 2.332 7.305 409 1HG1 ILE 50 2HG1 ILE 50 -8.331 0.786 5.236 410 2HG1 ILE 50 1HG1 ILE 50 -7.834 2.471 5.081 411 1HG2 ILE 50 1HG2 ILE 50 -7.497 0.251 8.669 412 2HG2 ILE 50 2HG2 ILE 50 -6.147 0.066 7.549 413 3HG2 ILE 50 3HG2 ILE 50 -7.755 -0.497 7.094 414 1HD1 ILE 50 1HD1 ILE 50 -6.284 0.043 4.632 415 2HD1 ILE 50 2HD1 ILE 50 -5.483 1.130 5.766 416 3HD1 ILE 50 3HD1 ILE 50 -5.921 1.702 4.158 417 H LYS 51 H LYS 51 -8.708 4.484 8.816 418 HA LYS 51 HA LYS 51 -9.225 5.807 6.234 419 1HB LYS 51 2HB LYS 51 -11.242 5.684 7.930 420 2HB LYS 51 1HB LYS 51 -10.391 7.045 8.670 421 1HG LYS 51 2HG LYS 51 -10.948 6.888 5.707 422 2HG LYS 51 1HG LYS 51 -12.039 7.696 6.838 423 1HD LYS 51 2HD LYS 51 -9.125 8.380 6.291 424 2HD LYS 51 1HD LYS 51 -10.541 9.350 5.881 425 1HE LYS 51 2HE LYS 51 -10.820 8.865 8.620 426 2HE LYS 51 1HE LYS 51 -9.103 9.201 8.402 427 1HZ LYS 51 1HZ LYS 51 -9.679 11.299 8.259 428 2HZ LYS 51 2HZ LYS 51 -11.246 10.975 8.257 429 3HZ LYS 51 3HZ LYS 51 -10.435 11.006 6.878 430 H CYS 52 H CYS 52 -7.394 6.647 5.885 431 HA CYS 52 HA CYS 52 -6.583 9.047 6.905 432 1HB CYS 52 2HB CYS 52 -5.662 6.790 8.454 433 2HB CYS 52 1HB CYS 52 -4.322 7.744 7.831 434 HG CYS 52 HG CYS 52 -5.657 9.879 8.905 435 H GLN 53 H GLN 53 -5.272 9.809 5.264 436 HA GLN 53 HA GLN 53 -3.712 7.776 3.811 437 1HB GLN 53 2HB GLN 53 -5.814 9.608 2.637 438 2HB GLN 53 1HB GLN 53 -4.534 8.912 1.650 439 1HG GLN 53 2HG GLN 53 -6.365 7.423 1.424 440 2HG GLN 53 1HG GLN 53 -5.295 6.625 2.572 441 1HE2 GLN 53 1HE2 GLN 53 -7.568 5.582 3.094 442 2HE2 GLN 53 2HE2 GLN 53 -8.488 6.369 4.283 443 H LYS 54 H LYS 54 -1.755 8.525 3.270 444 HA LYS 54 HA LYS 54 -1.321 11.377 2.832 445 1HB LYS 54 2HB LYS 54 -0.792 11.536 5.076 446 2HB LYS 54 1HB LYS 54 -0.404 9.823 5.211 447 1HG LYS 54 2HG LYS 54 1.787 10.144 4.674 448 2HG LYS 54 1HG LYS 54 1.419 11.393 3.482 449 1HD LYS 54 2HD LYS 54 2.203 12.862 5.017 450 2HD LYS 54 1HD LYS 54 0.681 12.589 5.866 451 1HE LYS 54 2HE LYS 54 1.843 10.579 6.966 452 2HE LYS 54 1HE LYS 54 3.350 11.259 6.351 453 1HZ LYS 54 1HZ LYS 54 2.501 13.353 7.467 454 2HZ LYS 54 2HZ LYS 54 3.122 12.211 8.400 455 3HZ LYS 54 3HZ LYS 54 1.535 12.389 8.303 456 H ILE 55 H ILE 55 -0.286 11.281 0.873 457 HA ILE 55 HA ILE 55 1.990 9.426 0.666 458 HB ILE 55 HB ILE 55 1.071 9.298 -1.872 459 1HG1 ILE 55 2HG1 ILE 55 -1.401 8.834 -1.711 460 2HG1 ILE 55 1HG1 ILE 55 -1.369 9.512 -0.082 461 1HG2 ILE 55 1HG2 ILE 55 1.187 7.592 0.418 462 2HG2 ILE 55 2HG2 ILE 55 1.232 7.139 -1.286 463 3HG2 ILE 55 3HG2 ILE 55 -0.314 7.254 -0.445 464 1HD1 ILE 55 1HD1 ILE 55 -2.046 11.168 -1.852 465 2HD1 ILE 55 2HD1 ILE 55 -0.435 11.003 -2.550 466 3HD1 ILE 55 3HD1 ILE 55 -0.629 11.659 -0.924 467 H SER 56 H SER 56 3.528 11.007 0.622 468 HA SER 56 HA SER 56 3.230 13.044 -1.508 469 1HB SER 56 2HB SER 56 4.131 13.252 1.311 470 2HB SER 56 1HB SER 56 5.054 14.171 0.125 471 HG SER 56 HG SER 56 3.388 15.471 0.702 472 HA PRO 57 HA PRO 57 7.278 10.541 -1.468 473 1HB PRO 57 2HB PRO 57 6.611 8.757 -3.629 474 2HB PRO 57 1HB PRO 57 7.061 8.405 -1.961 475 1HG PRO 57 2HG PRO 57 4.459 8.186 -3.134 476 2HG PRO 57 1HG PRO 57 4.918 7.787 -1.482 477 1HD PRO 57 2HD PRO 57 3.399 10.064 -2.394 478 2HD PRO 57 1HD PRO 57 3.845 9.628 -0.735 479 H GLU 58 H GLU 58 5.240 12.198 -3.598 480 HA GLU 58 HA GLU 58 6.816 12.254 -5.926 481 1HB GLU 58 2HB GLU 58 4.521 13.562 -4.995 482 2HB GLU 58 1HB GLU 58 5.698 14.855 -5.230 483 1HG GLU 58 2HG GLU 58 6.171 13.614 -7.505 484 2HG GLU 58 1HG GLU 58 4.560 12.943 -7.245 485 H GLY 59 H GLY 59 7.377 13.419 -2.726 486 1HA GLY 59 2HA GLY 59 9.898 14.598 -3.649 487 2HA GLY 59 1HA GLY 59 8.843 15.577 -2.629 488 H LYS 60 H LYS 60 8.967 12.100 -2.111 489 HA LYS 60 HA LYS 60 10.105 12.677 0.530 490 1HB LYS 60 2HB LYS 60 8.795 10.187 -0.620 491 2HB LYS 60 1HB LYS 60 9.520 10.258 0.986 492 1HG LYS 60 2HG LYS 60 7.074 11.679 -0.026 493 2HG LYS 60 1HG LYS 60 7.276 10.738 1.444 494 1HD LYS 60 2HD LYS 60 8.423 13.489 0.885 495 2HD LYS 60 1HD LYS 60 7.151 13.092 2.040 496 1HE LYS 60 2HE LYS 60 8.623 12.179 3.558 497 2HE LYS 60 1HE LYS 60 9.742 11.636 2.307 498 1HZ LYS 60 1HZ LYS 60 9.685 14.094 3.694 499 2HZ LYS 60 2HZ LYS 60 9.796 14.297 2.110 500 3HZ LYS 60 3HZ LYS 60 10.888 13.417 2.881 501 H ALA 61 H ALA 61 10.691 9.474 -0.428 502 HA ALA 61 HA ALA 61 13.523 10.169 -0.922 503 1HB ALA 61 1HB ALA 61 12.828 8.943 1.270 504 2HB ALA 61 2HB ALA 61 14.184 8.300 0.343 505 3HB ALA 61 3HB ALA 61 12.595 7.543 0.224 506 H LYS 62 H LYS 62 10.964 7.758 -1.565 507 HA LYS 62 HA LYS 62 11.567 7.721 -4.312 508 1HB LYS 62 2HB LYS 62 12.285 5.312 -4.458 509 2HB LYS 62 1HB LYS 62 13.525 6.382 -3.844 510 1HG LYS 62 2HG LYS 62 11.678 5.218 -1.836 511 2HG LYS 62 1HG LYS 62 12.790 4.089 -2.604 512 1HD LYS 62 2HD LYS 62 13.640 6.678 -1.278 513 2HD LYS 62 1HD LYS 62 13.701 5.099 -0.502 514 1HE LYS 62 2HE LYS 62 15.287 6.083 -2.872 515 2HE LYS 62 1HE LYS 62 15.882 5.385 -1.365 516 1HZ LYS 62 1HZ LYS 62 14.585 3.370 -2.152 517 2HZ LYS 62 2HZ LYS 62 15.999 3.664 -2.840 518 3HZ LYS 62 3HZ LYS 62 14.645 4.036 -3.607 519 H ILE 63 H ILE 63 9.211 7.662 -2.329 520 HA ILE 63 HA ILE 63 7.115 7.026 -3.025 521 HB ILE 63 HB ILE 63 7.711 5.761 -4.953 522 1HG1 ILE 63 2HG1 ILE 63 6.174 3.649 -3.752 523 2HG1 ILE 63 1HG1 ILE 63 5.613 5.220 -3.145 524 1HG2 ILE 63 1HG2 ILE 63 7.827 3.152 -3.777 525 2HG2 ILE 63 2HG2 ILE 63 9.135 4.098 -3.081 526 3HG2 ILE 63 3HG2 ILE 63 9.018 3.881 -4.846 527 1HD1 ILE 63 1HD1 ILE 63 6.050 4.662 -6.090 528 2HD1 ILE 63 2HD1 ILE 63 5.227 6.044 -5.369 529 3HD1 ILE 63 3HD1 ILE 63 4.491 4.444 -5.294 530 H GLN 64 H GLN 64 6.906 7.337 -0.820 531 HA GLN 64 HA GLN 64 6.540 4.836 0.712 532 1HB GLN 64 2HB GLN 64 7.238 5.948 2.708 533 2HB GLN 64 1HB GLN 64 8.442 6.395 1.502 534 1HG GLN 64 2HG GLN 64 7.316 8.525 1.108 535 2HG GLN 64 1HG GLN 64 6.029 8.079 2.230 536 1HE2 GLN 64 1HE2 GLN 64 9.420 7.263 2.862 537 2HE2 GLN 64 2HE2 GLN 64 9.616 8.331 4.167 538 H LEU 65 H LEU 65 4.434 4.634 1.557 539 HA LEU 65 HA LEU 65 2.801 7.083 1.395 540 1HB LEU 65 2HB LEU 65 0.868 5.685 0.681 541 2HB LEU 65 1HB LEU 65 2.186 5.695 -0.480 542 HG LEU 65 HG LEU 65 1.155 3.441 -0.107 543 1HD1 LEU 65 1HD1 LEU 65 3.806 2.837 0.850 544 2HD1 LEU 65 2HD1 LEU 65 3.862 4.160 -0.317 545 3HD1 LEU 65 3HD1 LEU 65 3.123 2.621 -0.759 546 1HD2 LEU 65 1HD2 LEU 65 2.612 3.309 2.514 547 2HD2 LEU 65 2HD2 LEU 65 1.306 2.288 1.913 548 3HD2 LEU 65 3HD2 LEU 65 0.962 3.928 2.461 549 H GLN 66 H GLN 66 0.752 6.870 2.846 550 HA GLN 66 HA GLN 66 1.170 5.046 5.104 551 1HB GLN 66 2HB GLN 66 2.228 7.588 5.226 552 2HB GLN 66 1HB GLN 66 0.663 7.782 6.017 553 1HG GLN 66 2HG GLN 66 1.151 6.021 7.591 554 2HG GLN 66 1HG GLN 66 2.604 5.559 6.702 555 1HE2 GLN 66 1HE2 GLN 66 2.122 6.734 9.553 556 2HE2 GLN 66 2HE2 GLN 66 3.229 8.019 9.635 557 H LEU 67 H LEU 67 -0.687 4.466 6.068 558 HA LEU 67 HA LEU 67 -3.170 6.000 5.536 559 1HB LEU 67 2HB LEU 67 -2.488 3.581 4.277 560 2HB LEU 67 1HB LEU 67 -3.564 3.107 5.589 561 HG LEU 67 HG LEU 67 -4.304 5.425 3.824 562 1HD1 LEU 67 1HD1 LEU 67 -4.151 3.971 2.058 563 2HD1 LEU 67 2HD1 LEU 67 -5.686 3.382 2.699 564 3HD1 LEU 67 3HD1 LEU 67 -4.185 2.547 3.098 565 1HD2 LEU 67 1HD2 LEU 67 -6.284 3.434 4.729 566 2HD2 LEU 67 2HD2 LEU 67 -6.342 5.192 4.822 567 3HD2 LEU 67 3HD2 LEU 67 -5.457 4.272 6.038 568 H VAL 68 H VAL 68 -4.736 5.712 7.241 569 HA VAL 68 HA VAL 68 -3.643 4.172 9.512 570 HB VAL 68 HB VAL 68 -5.166 6.706 10.041 571 1HG1 VAL 68 1HG1 VAL 68 -3.775 6.427 12.171 572 2HG1 VAL 68 2HG1 VAL 68 -3.414 4.810 11.580 573 3HG1 VAL 68 3HG1 VAL 68 -5.083 5.272 11.929 574 1HG2 VAL 68 1HG2 VAL 68 -3.288 7.950 9.787 575 2HG2 VAL 68 2HG2 VAL 68 -2.676 6.600 8.828 576 3HG2 VAL 68 3HG2 VAL 68 -2.305 6.700 10.551 577 H LEU 69 H LEU 69 -5.157 3.510 11.064 578 HA LEU 69 HA LEU 69 -7.585 2.593 9.750 579 1HB LEU 69 2HB LEU 69 -6.424 1.840 12.438 580 2HB LEU 69 1HB LEU 69 -7.554 0.898 11.490 581 HG LEU 69 HG LEU 69 -4.647 0.923 11.397 582 1HD1 LEU 69 1HD1 LEU 69 -5.354 -1.207 11.323 583 2HD1 LEU 69 2HD1 LEU 69 -5.407 -0.926 9.581 584 3HD1 LEU 69 3HD1 LEU 69 -6.880 -0.776 10.548 585 1HD2 LEU 69 1HD2 LEU 69 -4.436 2.219 9.512 586 2HD2 LEU 69 2HD2 LEU 69 -6.049 1.819 8.926 587 3HD2 LEU 69 3HD2 LEU 69 -4.740 0.654 8.762 588 H HIS 70 H HIS 70 -9.671 3.142 10.555 589 HA HIS 70 HA HIS 70 -10.116 5.507 11.948 590 1HB HIS 70 2HB HIS 70 -12.290 4.365 12.700 591 2HB HIS 70 1HB HIS 70 -12.008 4.389 10.959 592 HD1 HIS 70 HD1 HIS 70 -11.699 2.071 13.950 593 HD2 HIS 70 HD2 HIS 70 -11.789 1.845 9.784 594 HE1 HIS 70 HE1 HIS 70 -11.809 -0.390 13.365 595 H ALA 71 H ALA 71 -9.302 2.362 12.919 596 HA ALA 71 HA ALA 71 -9.530 2.671 15.768 597 1HB ALA 71 1HB ALA 71 -9.353 0.458 14.436 598 2HB ALA 71 2HB ALA 71 -8.425 0.574 15.931 599 3HB ALA 71 3HB ALA 71 -7.621 0.785 14.376 600 H GLY 72 H GLY 72 -6.848 1.817 16.442 601 1HA GLY 72 2HA GLY 72 -5.438 4.372 16.000 602 2HA GLY 72 1HA GLY 72 -5.257 3.359 17.437 603 H ASP 73 H ASP 73 -5.165 2.795 13.994 604 HA ASP 73 HA ASP 73 -2.459 1.660 14.358 605 1HB ASP 73 2HB ASP 73 -4.896 0.320 13.277 606 2HB ASP 73 1HB ASP 73 -3.339 -0.061 12.540 607 H THR 74 H THR 74 -1.073 2.325 12.908 608 HA THR 74 HA THR 74 -2.140 3.733 10.545 609 HB THR 74 HB THR 74 0.727 3.936 11.379 610 HG1 THR 74 HG1 THR 74 0.119 4.702 13.226 611 1HG2 THR 74 1HG2 THR 74 0.513 5.265 9.546 612 2HG2 THR 74 2HG2 THR 74 -0.175 6.421 10.688 613 3HG2 THR 74 3HG2 THR 74 -1.237 5.393 9.726 614 H THR 75 H THR 75 -0.934 3.378 8.515 615 HA THR 75 HA THR 75 0.456 0.793 8.522 616 HB THR 75 HB THR 75 -1.069 1.512 6.093 617 HG1 THR 75 HG1 THR 75 -2.483 0.512 8.320 618 1HG2 THR 75 1HG2 THR 75 -1.558 -0.882 6.122 619 2HG2 THR 75 2HG2 THR 75 -0.926 -1.013 7.764 620 3HG2 THR 75 3HG2 THR 75 0.160 -0.624 6.430 621 H ASN 76 H ASN 76 2.537 1.459 8.025 622 HA ASN 76 HA ASN 76 2.772 3.660 6.074 623 1HB ASN 76 2HB ASN 76 4.796 2.577 8.063 624 2HB ASN 76 1HB ASN 76 5.039 3.952 6.985 625 1HD2 ASN 76 1HD2 ASN 76 5.393 5.127 9.153 626 2HD2 ASN 76 2HD2 ASN 76 4.022 5.723 9.956 627 H PHE 77 H PHE 77 3.637 3.066 4.093 628 HA PHE 77 HA PHE 77 5.087 0.527 4.087 629 1HB PHE 77 2HB PHE 77 2.457 0.951 3.006 630 2HB PHE 77 1HB PHE 77 3.585 0.604 1.693 631 HD1 PHE 77 HD1 PHE 77 5.572 -1.031 2.903 632 HD2 PHE 77 HD2 PHE 77 1.328 -1.148 3.541 633 HE1 PHE 77 HE1 PHE 77 5.742 -3.386 3.557 634 HE2 PHE 77 HE2 PHE 77 1.498 -3.510 4.181 635 HZ PHE 77 HZ PHE 77 3.726 -4.603 4.185 636 H HIS 78 H HIS 78 6.620 0.374 2.496 637 HA HIS 78 HA HIS 78 7.018 2.711 0.763 638 1HB HIS 78 2HB HIS 78 8.141 3.254 2.912 639 2HB HIS 78 1HB HIS 78 9.105 1.790 2.767 640 HD1 HIS 78 HD1 HIS 78 11.282 2.073 1.646 641 HD2 HIS 78 HD2 HIS 78 8.604 5.000 0.386 642 HE1 HIS 78 HE1 HIS 78 12.471 3.506 -0.067 643 H PHE 79 H PHE 79 8.788 2.453 -0.622 644 HA PHE 79 HA PHE 79 9.475 -0.357 -1.277 645 1HB PHE 79 2HB PHE 79 8.895 1.919 -3.168 646 2HB PHE 79 1HB PHE 79 9.244 0.263 -3.599 647 HD1 PHE 79 HD1 PHE 79 6.757 2.606 -2.252 648 HD2 PHE 79 HD2 PHE 79 7.538 -1.527 -3.152 649 HE1 PHE 79 HE1 PHE 79 4.335 2.107 -2.005 650 HE2 PHE 79 HE2 PHE 79 5.127 -2.022 -2.893 651 HZ PHE 79 HZ PHE 79 3.536 -0.228 -2.311 652 H SER 80 H SER 80 11.863 -0.509 -1.915 653 HA SER 80 HA SER 80 13.247 1.924 -2.413 654 1HB SER 80 2HB SER 80 12.675 1.701 0.188 655 2HB SER 80 1HB SER 80 14.127 0.704 0.151 656 HG SER 80 HG SER 80 14.837 2.761 0.444 657 H ASN 81 H ASN 81 14.906 1.225 -3.701 658 HA ASN 81 HA ASN 81 16.350 -1.198 -2.940 659 1HB ASN 81 2HB ASN 81 14.850 -0.864 -5.547 660 2HB ASN 81 1HB ASN 81 16.083 -2.099 -5.276 661 1HD2 ASN 81 1HD2 ASN 81 15.641 -3.671 -3.490 662 2HD2 ASN 81 2HD2 ASN 81 14.039 -3.999 -3.057 663 H GLU 82 H GLU 82 18.262 -1.477 -4.530 664 HA GLU 82 HA GLU 82 19.823 0.810 -4.594 665 1HB GLU 82 2HB GLU 82 20.040 -1.851 -5.531 666 2HB GLU 82 1HB GLU 82 20.366 -0.817 -6.923 667 1HG GLU 82 2HG GLU 82 21.686 -0.482 -4.215 668 2HG GLU 82 1HG GLU 82 22.417 -1.338 -5.573 669 H SER 83 H SER 83 17.739 -0.533 -7.158 670 HA SER 83 HA SER 83 17.307 2.183 -8.130 671 1HB SER 83 2HB SER 83 18.188 0.065 -10.074 672 2HB SER 83 1HB SER 83 18.062 1.802 -10.328 673 HG SER 83 HG SER 83 20.101 1.788 -9.802 674 H THR 84 H THR 84 15.799 -0.410 -7.034 675 HA THR 84 HA THR 84 13.943 -0.621 -9.320 676 HB THR 84 HB THR 84 13.349 -2.711 -8.544 677 HG1 THR 84 HG1 THR 84 13.523 -3.230 -6.291 678 1HG2 THR 84 1HG2 THR 84 16.060 -2.200 -8.495 679 2HG2 THR 84 2HG2 THR 84 15.326 -3.801 -8.408 680 3HG2 THR 84 3HG2 THR 84 15.783 -2.959 -6.927 681 H ALA 85 H ALA 85 14.335 1.276 -6.643 682 HA ALA 85 HA ALA 85 11.511 1.253 -5.874 683 1HB ALA 85 1HB ALA 85 13.126 1.421 -4.077 684 2HB ALA 85 2HB ALA 85 12.259 2.951 -4.206 685 3HB ALA 85 3HB ALA 85 13.900 2.806 -4.843 686 H VAL 86 H VAL 86 10.961 1.952 -8.048 687 HA VAL 86 HA VAL 86 10.783 4.819 -8.147 688 HB VAL 86 HB VAL 86 11.649 4.895 -10.539 689 1HG1 VAL 86 1HG1 VAL 86 13.804 5.372 -9.802 690 2HG1 VAL 86 2HG1 VAL 86 13.848 3.987 -8.710 691 3HG1 VAL 86 3HG1 VAL 86 12.913 5.420 -8.280 692 1HG2 VAL 86 1HG2 VAL 86 12.734 3.075 -11.477 693 2HG2 VAL 86 2HG2 VAL 86 11.535 2.225 -10.502 694 3HG2 VAL 86 3HG2 VAL 86 13.186 2.406 -9.909 695 H LYS 87 H LYS 87 10.369 3.765 -11.271 696 HA LYS 87 HA LYS 87 7.759 4.259 -11.615 697 1HB LYS 87 2HB LYS 87 9.707 3.079 -13.133 698 2HB LYS 87 1HB LYS 87 8.549 1.761 -12.953 699 1HG LYS 87 2HG LYS 87 6.915 2.850 -14.141 700 2HG LYS 87 1HG LYS 87 7.425 4.443 -13.582 701 1HD LYS 87 2HD LYS 87 9.233 2.879 -15.397 702 2HD LYS 87 1HD LYS 87 7.855 3.740 -16.084 703 1HE LYS 87 2HE LYS 87 9.941 5.015 -14.291 704 2HE LYS 87 1HE LYS 87 9.949 5.113 -16.052 705 1HZ LYS 87 1HZ LYS 87 8.817 6.973 -15.417 706 2HZ LYS 87 2HZ LYS 87 8.055 6.272 -14.198 707 3HZ LYS 87 3HZ LYS 87 7.602 5.970 -15.702 708 H GLU 88 H GLU 88 8.798 0.880 -11.114 709 HA GLU 88 HA GLU 88 6.443 -0.398 -10.818 710 1HB GLU 88 2HB GLU 88 7.639 -1.567 -8.732 711 2HB GLU 88 1HB GLU 88 8.202 -1.832 -10.377 712 1HG GLU 88 2HG GLU 88 9.396 0.566 -9.236 713 2HG GLU 88 1HG GLU 88 9.726 -0.855 -8.247 714 H ARG 89 H ARG 89 8.008 0.712 -7.861 715 HA ARG 89 HA ARG 89 5.738 0.713 -6.251 716 1HB ARG 89 2HB ARG 89 7.594 2.981 -5.813 717 2HB ARG 89 1HB ARG 89 7.030 1.761 -4.681 718 1HG ARG 89 2HG ARG 89 9.214 1.440 -6.761 719 2HG ARG 89 1HG ARG 89 9.415 1.455 -5.017 720 1HD ARG 89 2HD ARG 89 8.153 -0.618 -4.800 721 2HD ARG 89 1HD ARG 89 7.781 -0.615 -6.516 722 HE ARG 89 HE ARG 89 10.512 -0.557 -6.438 723 1HH1 ARG 89 1HH2 ARG 89 8.001 -2.486 -5.050 724 2HH1 ARG 89 2HH2 ARG 89 8.951 -3.933 -5.028 725 1HH2 ARG 89 1HH1 ARG 89 11.755 -2.443 -6.412 726 2HH2 ARG 89 2HH1 ARG 89 11.070 -3.910 -5.795 727 H ASP 90 H ASP 90 7.007 3.101 -8.425 728 HA ASP 90 HA ASP 90 5.259 5.250 -7.857 729 1HB ASP 90 2HB ASP 90 7.217 4.643 -9.844 730 2HB ASP 90 1HB ASP 90 5.752 5.161 -10.675 731 H ALA 91 H ALA 91 4.688 2.185 -9.275 732 HA ALA 91 HA ALA 91 2.230 3.062 -10.607 733 1HB ALA 91 1HB ALA 91 3.387 0.279 -10.238 734 2HB ALA 91 2HB ALA 91 3.660 1.296 -11.653 735 3HB ALA 91 3HB ALA 91 2.036 0.716 -11.284 736 H VAL 92 H VAL 92 3.441 1.235 -7.852 737 HA VAL 92 HA VAL 92 0.980 0.327 -6.832 738 HB VAL 92 HB VAL 92 3.360 1.335 -5.237 739 1HG1 VAL 92 1HG1 VAL 92 2.238 -0.881 -3.997 740 2HG1 VAL 92 2HG1 VAL 92 0.834 -0.001 -4.600 741 3HG1 VAL 92 3HG1 VAL 92 1.980 0.800 -3.525 742 1HG2 VAL 92 1HG2 VAL 92 4.233 -0.263 -6.784 743 2HG2 VAL 92 2HG2 VAL 92 2.820 -1.304 -6.614 744 3HG2 VAL 92 3HG2 VAL 92 3.972 -1.154 -5.286 745 H LYS 93 H LYS 93 2.828 3.179 -5.676 746 HA LYS 93 HA LYS 93 0.706 4.408 -4.356 747 1HB LYS 93 2HB LYS 93 2.935 5.305 -4.106 748 2HB LYS 93 1HB LYS 93 3.045 5.646 -5.835 749 1HG LYS 93 2HG LYS 93 1.050 7.174 -5.579 750 2HG LYS 93 1HG LYS 93 1.174 6.947 -3.835 751 1HD LYS 93 2HD LYS 93 2.765 8.524 -3.730 752 2HD LYS 93 1HD LYS 93 3.770 7.602 -4.850 753 1HE LYS 93 2HE LYS 93 1.740 8.743 -6.431 754 2HE LYS 93 1HE LYS 93 2.255 10.022 -5.332 755 1HZ LYS 93 1HZ LYS 93 3.532 9.513 -7.516 756 2HZ LYS 93 2HZ LYS 93 4.298 8.452 -6.596 757 3HZ LYS 93 3HZ LYS 93 4.309 10.003 -6.205 758 H ASP 94 H ASP 94 1.602 4.498 -7.829 759 HA ASP 94 HA ASP 94 -0.135 6.498 -8.675 760 1HB ASP 94 2HB ASP 94 1.383 5.442 -10.240 761 2HB ASP 94 1HB ASP 94 0.583 3.886 -10.023 762 H LEU 95 H LEU 95 -0.867 3.240 -7.583 763 HA LEU 95 HA LEU 95 -3.655 3.527 -8.480 764 1HB LEU 95 2HB LEU 95 -1.927 1.325 -7.486 765 2HB LEU 95 1HB LEU 95 -3.636 1.229 -7.062 766 HG LEU 95 HG LEU 95 -3.226 0.092 -9.200 767 1HD1 LEU 95 1HD1 LEU 95 -5.178 1.980 -8.681 768 2HD1 LEU 95 2HD1 LEU 95 -5.186 0.864 -10.047 769 3HD1 LEU 95 3HD1 LEU 95 -4.552 2.498 -10.246 770 1HD2 LEU 95 1HD2 LEU 95 -1.669 0.922 -10.602 771 2HD2 LEU 95 2HD2 LEU 95 -1.537 2.383 -9.626 772 3HD2 LEU 95 3HD2 LEU 95 -2.726 2.295 -10.924 773 H LEU 96 H LEU 96 -1.845 3.085 -5.455 774 HA LEU 96 HA LEU 96 -3.786 3.095 -3.565 775 1HB LEU 96 2HB LEU 96 -1.377 4.893 -3.345 776 2HB LEU 96 1HB LEU 96 -2.204 4.021 -2.071 777 HG LEU 96 HG LEU 96 -0.398 2.946 -4.216 778 1HD1 LEU 96 1HD1 LEU 96 0.992 2.856 -2.450 779 2HD1 LEU 96 2HD1 LEU 96 -0.076 1.651 -1.729 780 3HD1 LEU 96 3HD1 LEU 96 -0.298 3.361 -1.359 781 1HD2 LEU 96 1HD2 LEU 96 -2.611 1.526 -2.741 782 2HD2 LEU 96 2HD2 LEU 96 -1.161 0.650 -3.231 783 3HD2 LEU 96 3HD2 LEU 96 -2.179 1.421 -4.448 784 H GLN 97 H GLN 97 -2.202 6.199 -4.407 785 HA GLN 97 HA GLN 97 -4.136 7.802 -3.151 786 1HB GLN 97 2HB GLN 97 -3.297 9.575 -4.826 787 2HB GLN 97 1HB GLN 97 -2.136 8.908 -3.682 788 1HG GLN 97 2HG GLN 97 -1.471 9.085 -6.208 789 2HG GLN 97 1HG GLN 97 -1.090 7.599 -5.337 790 1HE2 GLN 97 1HE2 GLN 97 -2.131 5.687 -5.988 791 2HE2 GLN 97 2HE2 GLN 97 -3.265 5.604 -7.209 792 H GLN 98 H GLN 98 -4.686 5.870 -5.808 793 HA GLN 98 HA GLN 98 -6.580 7.734 -7.011 794 1HB GLN 98 2HB GLN 98 -4.862 6.015 -8.212 795 2HB GLN 98 1HB GLN 98 -6.291 4.988 -8.091 796 1HG GLN 98 2HG GLN 98 -6.931 7.708 -8.960 797 2HG GLN 98 1HG GLN 98 -5.833 6.881 -10.067 798 1HE2 GLN 98 1HE2 GLN 98 -6.704 5.217 -11.380 799 2HE2 GLN 98 2HE2 GLN 98 -8.314 4.686 -11.282 800 H LEU 99 H LEU 99 -6.345 4.761 -5.154 801 HA LEU 99 HA LEU 99 -9.235 4.312 -5.359 802 1HB LEU 99 2HB LEU 99 -7.695 2.826 -3.320 803 2HB LEU 99 1HB LEU 99 -8.845 2.223 -4.506 804 HG LEU 99 HG LEU 99 -6.517 3.133 -5.915 805 1HD1 LEU 99 1HD1 LEU 99 -4.735 2.216 -4.807 806 2HD1 LEU 99 2HD1 LEU 99 -5.718 0.949 -4.076 807 3HD1 LEU 99 3HD1 LEU 99 -5.730 2.574 -3.391 808 1HD2 LEU 99 1HD2 LEU 99 -6.709 0.278 -5.568 809 2HD2 LEU 99 2HD2 LEU 99 -6.983 1.238 -7.020 810 3HD2 LEU 99 3HD2 LEU 99 -8.301 0.971 -5.877 811 H LEU 100 H LEU 100 -6.824 5.486 -3.093 812 HA LEU 100 HA LEU 100 -8.271 5.548 -0.751 813 1HB LEU 100 2HB LEU 100 -6.163 7.371 -1.891 814 2HB LEU 100 1HB LEU 100 -6.898 7.716 -0.326 815 HG LEU 100 HG LEU 100 -5.458 5.172 -1.129 816 1HD1 LEU 100 1HD1 LEU 100 -4.713 7.645 0.304 817 2HD1 LEU 100 2HD1 LEU 100 -3.691 6.477 -0.533 818 3HD1 LEU 100 3HD1 LEU 100 -4.239 6.150 1.111 819 1HD2 LEU 100 1HD2 LEU 100 -5.822 5.028 1.570 820 2HD2 LEU 100 2HD2 LEU 100 -6.892 4.260 0.397 821 3HD2 LEU 100 3HD2 LEU 100 -7.316 5.829 1.083 822 HA PRO 101 HA PRO 101 -10.180 9.604 -2.483 823 1HB PRO 101 2HB PRO 101 -10.149 8.933 -5.369 824 2HB PRO 101 1HB PRO 101 -9.836 10.493 -4.587 825 1HG PRO 101 2HG PRO 101 -7.894 8.828 -5.666 826 2HG PRO 101 1HG PRO 101 -7.584 10.060 -4.432 827 1HD PRO 101 2HD PRO 101 -7.507 7.172 -4.158 828 2HD PRO 101 1HD PRO 101 -7.039 8.414 -2.985 829 H LYS 102 H LYS 102 -10.691 6.354 -3.092 830 HA LYS 102 HA LYS 102 -13.383 6.643 -4.191 831 1HB LYS 102 2HB LYS 102 -11.805 4.826 -4.904 832 2HB LYS 102 1HB LYS 102 -11.907 4.172 -3.267 833 1HG LYS 102 2HG LYS 102 -14.236 3.708 -3.491 834 2HG LYS 102 1HG LYS 102 -14.351 4.645 -4.983 835 1HD LYS 102 2HD LYS 102 -12.760 3.026 -6.051 836 2HD LYS 102 1HD LYS 102 -12.832 2.051 -4.582 837 1HE LYS 102 2HE LYS 102 -15.330 1.930 -4.871 838 2HE LYS 102 1HE LYS 102 -15.137 2.732 -6.430 839 1HZ LYS 102 1HZ LYS 102 -14.675 0.769 -7.257 840 2HZ LYS 102 2HZ LYS 102 -14.756 0.057 -5.827 841 3HZ LYS 102 3HZ LYS 102 -13.365 0.653 -6.345 842 H PHE 103 H PHE 103 -11.807 5.701 -1.164 843 HA PHE 103 HA PHE 103 -14.487 5.425 0.046 844 1HB PHE 103 2HB PHE 103 -12.421 4.513 1.812 845 2HB PHE 103 1HB PHE 103 -13.666 3.556 1.009 846 HD1 PHE 103 HD1 PHE 103 -13.240 2.486 -1.153 847 HD2 PHE 103 HD2 PHE 103 -10.188 4.727 0.873 848 HE1 PHE 103 HE1 PHE 103 -11.538 1.545 -2.685 849 HE2 PHE 103 HE2 PHE 103 -8.474 3.771 -0.644 850 HZ PHE 103 HZ PHE 103 -9.159 2.187 -2.432 851 H LYS 104 H LYS 104 -12.119 7.670 -0.314 852 HA LYS 104 HA LYS 104 -11.761 8.606 2.343 853 1HB LYS 104 2HB LYS 104 -10.838 9.300 -0.219 854 2HB LYS 104 1HB LYS 104 -11.716 10.718 0.355 855 1HG LYS 104 2HG LYS 104 -9.260 10.648 0.993 856 2HG LYS 104 1HG LYS 104 -10.376 10.846 2.344 857 1HD LYS 104 2HD LYS 104 -9.959 8.036 1.775 858 2HD LYS 104 1HD LYS 104 -8.419 8.847 2.061 859 1HE LYS 104 2HE LYS 104 -10.840 9.015 3.881 860 2HE LYS 104 1HE LYS 104 -9.416 8.019 4.175 861 1HZ LYS 104 1HZ LYS 104 -9.729 10.626 4.848 862 2HZ LYS 104 2HZ LYS 104 -8.699 10.656 3.626 863 3HZ LYS 104 3HZ LYS 104 -8.372 9.782 4.925 864 H ARG 105 H ARG 105 -12.539 11.226 2.417 865 HA ARG 105 HA ARG 105 -15.470 11.061 2.072 866 1HB ARG 105 2HB ARG 105 -15.851 11.777 4.224 867 2HB ARG 105 1HB ARG 105 -14.335 10.925 4.487 868 1HG ARG 105 2HG ARG 105 -14.511 13.897 3.901 869 2HG ARG 105 1HG ARG 105 -14.422 13.220 5.525 870 1HD ARG 105 2HD ARG 105 -12.272 12.148 4.971 871 2HD ARG 105 1HD ARG 105 -12.355 12.819 3.343 872 HE ARG 105 HE ARG 105 -12.593 15.009 4.957 873 1HH1 ARG 105 1HH2 ARG 105 -10.416 12.343 4.675 874 2HH1 ARG 105 2HH2 ARG 105 -9.042 13.241 5.226 875 1HH2 ARG 105 1HH1 ARG 105 -10.809 16.188 5.674 876 2HH2 ARG 105 2HH1 ARG 105 -9.264 15.415 5.790 877 H LYS 106 H LYS 106 -16.392 12.797 1.069 878 HA LYS 106 HA LYS 106 -15.099 15.384 1.069 879 1HB LYS 106 2HB LYS 106 -14.619 13.501 -1.085 880 2HB LYS 106 1HB LYS 106 -15.443 14.942 -1.681 881 1HG LYS 106 2HG LYS 106 -13.284 15.506 0.241 882 2HG LYS 106 1HG LYS 106 -12.734 14.763 -1.261 883 1HD LYS 106 2HD LYS 106 -13.196 16.617 -2.482 884 2HD LYS 106 1HD LYS 106 -14.736 16.877 -1.662 885 1HE LYS 106 2HE LYS 106 -12.113 17.438 -0.281 886 2HE LYS 106 1HE LYS 106 -12.890 18.648 -1.302 887 1HZ LYS 106 1HZ LYS 106 -14.246 19.075 0.349 888 2HZ LYS 106 2HZ LYS 106 -13.507 18.014 1.292 889 3HZ LYS 106 3HZ LYS 106 -14.763 17.561 0.410 890 H ALA 107 H ALA 107 -17.728 14.003 1.674 891 HA ALA 107 HA ALA 107 -19.486 15.314 -0.277 892 1HB ALA 107 1HB ALA 107 -20.142 13.534 2.089 893 2HB ALA 107 2HB ALA 107 -19.990 12.989 0.419 894 3HB ALA 107 3HB ALA 107 -21.285 14.098 0.870 895 H ASN 108 H ASN 108 -19.129 17.519 0.334 896 HA ASN 108 HA ASN 108 -20.194 18.183 3.018 897 1HB ASN 108 2HB ASN 108 -17.713 18.911 1.754 898 2HB ASN 108 1HB ASN 108 -18.687 20.359 2.005 899 1HD2 ASN 108 1HD2 ASN 108 -16.935 17.781 3.642 900 2HD2 ASN 108 2HD2 ASN 108 -17.117 18.401 5.211 Start of MODEL 8 1 1H MET 1 1H MET 1 -12.418 -17.112 -14.764 2 2H MET 1 2H MET 1 -12.828 -16.921 -13.229 3 3H MET 1 3H MET 1 -13.740 -17.813 -14.195 4 HA MET 1 HA MET 1 -12.154 -19.510 -14.381 5 1HB MET 1 2HB MET 1 -10.233 -17.897 -14.437 6 2HB MET 1 1HB MET 1 -10.401 -17.700 -12.692 7 1HG MET 1 2HG MET 1 -10.366 -20.496 -13.227 8 2HG MET 1 1HG MET 1 -9.030 -19.772 -14.123 9 1HE MET 1 1HE MET 1 -8.315 -17.386 -12.842 10 2HE MET 1 2HE MET 1 -6.923 -18.464 -12.904 11 3HE MET 1 3HE MET 1 -7.303 -17.612 -11.409 12 H ALA 2 H ALA 2 -12.104 -17.583 -11.353 13 HA ALA 2 HA ALA 2 -13.328 -19.935 -10.035 14 1HB ALA 2 1HB ALA 2 -11.811 -18.278 -8.214 15 2HB ALA 2 2HB ALA 2 -10.785 -18.824 -9.540 16 3HB ALA 2 3HB ALA 2 -11.642 -20.002 -8.546 17 H THR 3 H THR 3 -13.844 -18.796 -7.581 18 HA THR 3 HA THR 3 -16.188 -17.331 -8.056 19 HB THR 3 HB THR 3 -14.799 -16.872 -5.476 20 HG1 THR 3 HG1 THR 3 -14.720 -18.943 -4.925 21 1HG2 THR 3 1HG2 THR 3 -17.106 -17.947 -4.805 22 2HG2 THR 3 2HG2 THR 3 -17.520 -17.625 -6.489 23 3HG2 THR 3 3HG2 THR 3 -17.054 -16.297 -5.426 24 H SER 4 H SER 4 -16.283 -15.315 -8.911 25 HA SER 4 HA SER 4 -14.063 -13.460 -8.325 26 1HB SER 4 2HB SER 4 -16.040 -13.718 -10.569 27 2HB SER 4 1HB SER 4 -15.311 -12.151 -10.229 28 HG SER 4 HG SER 4 -13.833 -14.551 -10.562 29 H SER 5 H SER 5 -14.482 -11.930 -6.807 30 HA SER 5 HA SER 5 -17.230 -10.889 -6.620 31 1HB SER 5 2HB SER 5 -15.769 -12.432 -4.583 32 2HB SER 5 1HB SER 5 -16.429 -10.909 -3.994 33 HG SER 5 HG SER 5 -18.099 -12.273 -3.812 34 H GLU 6 H GLU 6 -14.326 -10.422 -4.610 35 HA GLU 6 HA GLU 6 -14.625 -7.579 -4.766 36 1HB GLU 6 2HB GLU 6 -12.185 -7.717 -3.793 37 2HB GLU 6 1HB GLU 6 -13.568 -8.154 -2.802 38 1HG GLU 6 2HG GLU 6 -12.476 -10.357 -4.440 39 2HG GLU 6 1HG GLU 6 -11.391 -9.758 -3.189 40 H GLU 7 H GLU 7 -12.878 -6.153 -5.527 41 HA GLU 7 HA GLU 7 -11.582 -7.261 -7.956 42 1HB GLU 7 2HB GLU 7 -12.561 -4.415 -7.621 43 2HB GLU 7 1HB GLU 7 -11.971 -5.182 -9.096 44 1HG GLU 7 2HG GLU 7 -13.965 -6.896 -8.468 45 2HG GLU 7 1HG GLU 7 -14.621 -5.412 -7.775 46 H VAL 8 H VAL 8 -9.315 -7.327 -7.445 47 HA VAL 8 HA VAL 8 -8.373 -5.274 -5.603 48 HB VAL 8 HB VAL 8 -7.732 -7.524 -5.039 49 1HG1 VAL 8 1HG1 VAL 8 -7.315 -7.713 -7.982 50 2HG1 VAL 8 2HG1 VAL 8 -7.976 -8.903 -6.860 51 3HG1 VAL 8 3HG1 VAL 8 -6.232 -8.658 -6.961 52 1HG2 VAL 8 1HG2 VAL 8 -5.904 -6.016 -4.698 53 2HG2 VAL 8 2HG2 VAL 8 -5.504 -6.002 -6.414 54 3HG2 VAL 8 3HG2 VAL 8 -5.221 -7.452 -5.453 55 H LEU 9 H LEU 9 -6.482 -4.044 -6.166 56 HA LEU 9 HA LEU 9 -6.452 -3.466 -9.040 57 1HB LEU 9 2HB LEU 9 -6.908 -1.636 -7.463 58 2HB LEU 9 1HB LEU 9 -5.321 -1.875 -6.734 59 HG LEU 9 HG LEU 9 -4.192 -1.223 -8.728 60 1HD1 LEU 9 1HD1 LEU 9 -5.492 -0.730 -10.830 61 2HD1 LEU 9 2HD1 LEU 9 -6.915 -1.422 -10.051 62 3HD1 LEU 9 3HD1 LEU 9 -5.505 -2.432 -10.370 63 1HD2 LEU 9 1HD2 LEU 9 -5.722 0.927 -9.346 64 2HD2 LEU 9 2HD2 LEU 9 -4.752 0.830 -7.876 65 3HD2 LEU 9 3HD2 LEU 9 -6.473 0.452 -7.823 66 H LEU 10 H LEU 10 -3.892 -4.002 -6.447 67 HA LEU 10 HA LEU 10 -2.301 -5.156 -8.598 68 1HB LEU 10 2HB LEU 10 -2.053 -2.594 -8.680 69 2HB LEU 10 1HB LEU 10 -1.158 -2.760 -7.171 70 HG LEU 10 HG LEU 10 0.492 -4.171 -8.214 71 1HD1 LEU 10 1HD1 LEU 10 0.204 -4.551 -10.776 72 2HD1 LEU 10 2HD1 LEU 10 -1.502 -4.225 -10.472 73 3HD1 LEU 10 3HD1 LEU 10 -0.707 -5.579 -9.669 74 1HD2 LEU 10 1HD2 LEU 10 1.181 -2.015 -8.693 75 2HD2 LEU 10 2HD2 LEU 10 -0.278 -1.642 -9.612 76 3HD2 LEU 10 3HD2 LEU 10 0.991 -2.631 -10.335 77 H ILE 11 H ILE 11 -0.109 -5.863 -7.761 78 HA ILE 11 HA ILE 11 -0.086 -6.278 -4.850 79 HB ILE 11 HB ILE 11 -1.028 -8.328 -5.594 80 1HG1 ILE 11 2HG1 ILE 11 1.966 -8.434 -5.258 81 2HG1 ILE 11 1HG1 ILE 11 0.712 -9.031 -4.188 82 1HG2 ILE 11 1HG2 ILE 11 -0.198 -9.519 -7.600 83 2HG2 ILE 11 2HG2 ILE 11 0.964 -8.222 -7.881 84 3HG2 ILE 11 3HG2 ILE 11 -0.765 -7.897 -8.001 85 1HD1 ILE 11 1HD1 ILE 11 1.786 -10.270 -6.714 86 2HD1 ILE 11 2HD1 ILE 11 0.183 -10.700 -6.118 87 3HD1 ILE 11 3HD1 ILE 11 1.605 -10.997 -5.118 88 H VAL 12 H VAL 12 2.002 -6.124 -4.052 89 HA VAL 12 HA VAL 12 4.148 -6.028 -6.079 90 HB VAL 12 HB VAL 12 5.147 -4.457 -4.092 91 1HG1 VAL 12 1HG1 VAL 12 3.475 -3.657 -6.490 92 2HG1 VAL 12 2HG1 VAL 12 5.215 -3.946 -6.467 93 3HG1 VAL 12 3HG1 VAL 12 4.540 -2.563 -5.607 94 1HG2 VAL 12 1HG2 VAL 12 3.353 -4.016 -2.717 95 2HG2 VAL 12 2HG2 VAL 12 2.165 -4.292 -3.987 96 3HG2 VAL 12 3HG2 VAL 12 3.060 -2.783 -3.939 97 H LYS 13 H LYS 13 4.903 -8.026 -5.760 98 HA LYS 13 HA LYS 13 5.224 -9.476 -3.424 99 1HB LYS 13 2HB LYS 13 6.362 -10.956 -4.755 100 2HB LYS 13 1HB LYS 13 5.617 -9.971 -6.003 101 1HG LYS 13 2HG LYS 13 8.408 -9.509 -4.920 102 2HG LYS 13 1HG LYS 13 8.051 -10.388 -6.405 103 1HD LYS 13 2HD LYS 13 6.846 -7.674 -6.087 104 2HD LYS 13 1HD LYS 13 8.574 -7.768 -6.430 105 1HE LYS 13 2HE LYS 13 6.968 -9.582 -8.086 106 2HE LYS 13 1HE LYS 13 6.569 -7.882 -8.329 107 1HZ LYS 13 1HZ LYS 13 8.661 -7.451 -9.040 108 2HZ LYS 13 2HZ LYS 13 8.510 -8.944 -9.595 109 3HZ LYS 13 3HZ LYS 13 9.343 -8.670 -8.257 110 H LYS 14 H LYS 14 6.893 -6.747 -4.434 111 HA LYS 14 HA LYS 14 8.989 -7.271 -2.409 112 1HB LYS 14 2HB LYS 14 9.610 -6.883 -4.948 113 2HB LYS 14 1HB LYS 14 9.322 -5.192 -4.544 114 1HG LYS 14 2HG LYS 14 11.680 -5.705 -4.199 115 2HG LYS 14 1HG LYS 14 10.914 -5.412 -2.637 116 1HD LYS 14 2HD LYS 14 10.880 -7.706 -2.087 117 2HD LYS 14 1HD LYS 14 11.120 -8.202 -3.762 118 1HE LYS 14 2HE LYS 14 13.195 -8.476 -2.447 119 2HE LYS 14 1HE LYS 14 13.402 -7.274 -3.720 120 1HZ LYS 14 1HZ LYS 14 12.765 -5.653 -1.932 121 2HZ LYS 14 2HZ LYS 14 14.228 -6.291 -1.826 122 3HZ LYS 14 3HZ LYS 14 13.055 -6.820 -0.875 123 H VAL 15 H VAL 15 8.675 -6.052 -0.600 124 HA VAL 15 HA VAL 15 8.131 -3.270 -1.033 125 HB VAL 15 HB VAL 15 5.951 -4.925 0.179 126 1HG1 VAL 15 1HG1 VAL 15 5.091 -3.061 1.366 127 2HG1 VAL 15 2HG1 VAL 15 6.241 -1.959 0.629 128 3HG1 VAL 15 3HG1 VAL 15 6.789 -3.119 1.837 129 1HG2 VAL 15 1HG2 VAL 15 5.260 -4.301 -1.887 130 2HG2 VAL 15 2HG2 VAL 15 6.461 -3.018 -1.980 131 3HG2 VAL 15 3HG2 VAL 15 4.956 -2.747 -1.109 132 H ARG 16 H ARG 16 8.707 -2.004 0.634 133 HA ARG 16 HA ARG 16 10.210 -3.393 2.774 134 1HB ARG 16 2HB ARG 16 11.538 -2.258 0.906 135 2HB ARG 16 1HB ARG 16 10.814 -0.738 1.413 136 1HG ARG 16 2HG ARG 16 12.897 -0.832 2.534 137 2HG ARG 16 1HG ARG 16 11.694 -1.280 3.750 138 1HD ARG 16 2HD ARG 16 12.479 -3.613 2.278 139 2HD ARG 16 1HD ARG 16 13.930 -2.802 2.856 140 HE ARG 16 HE ARG 16 12.086 -4.323 4.382 141 1HH1 ARG 16 1HH2 ARG 16 13.750 -1.281 4.441 142 2HH1 ARG 16 2HH2 ARG 16 13.656 -1.119 6.160 143 1HH2 ARG 16 1HH1 ARG 16 12.025 -4.120 6.648 144 2HH2 ARG 16 2HH1 ARG 16 12.689 -2.714 7.399 145 H GLN 17 H GLN 17 9.552 -2.819 4.755 146 HA GLN 17 HA GLN 17 8.339 -0.160 5.011 147 1HB GLN 17 2HB GLN 17 6.729 -1.263 6.681 148 2HB GLN 17 1HB GLN 17 6.429 -1.578 4.985 149 1HG GLN 17 2HG GLN 17 7.439 -3.733 5.085 150 2HG GLN 17 1HG GLN 17 8.026 -3.435 6.710 151 1HE2 GLN 17 1HE2 GLN 17 5.026 -2.012 6.709 152 2HE2 GLN 17 2HE2 GLN 17 4.094 -3.324 7.238 153 H LYS 18 H LYS 18 9.265 0.901 6.654 154 HA LYS 18 HA LYS 18 11.623 0.409 7.713 155 1HB LYS 18 2HB LYS 18 9.662 2.212 8.352 156 2HB LYS 18 1HB LYS 18 9.860 1.343 9.875 157 1HG LYS 18 2HG LYS 18 12.471 1.748 8.931 158 2HG LYS 18 1HG LYS 18 11.636 3.271 8.626 159 1HD LYS 18 2HD LYS 18 10.981 2.135 11.243 160 2HD LYS 18 1HD LYS 18 12.702 2.477 11.062 161 1HE LYS 18 2HE LYS 18 11.457 4.698 9.927 162 2HE LYS 18 1HE LYS 18 10.472 4.336 11.344 163 1HZ LYS 18 1HZ LYS 18 12.081 5.443 12.372 164 2HZ LYS 18 2HZ LYS 18 13.166 5.236 11.215 165 3HZ LYS 18 3HZ LYS 18 12.914 4.078 12.289 166 H LYS 19 H LYS 19 8.786 -1.403 8.704 167 HA LYS 19 HA LYS 19 10.132 -2.510 11.004 168 1HB LYS 19 2HB LYS 19 8.168 -3.936 11.202 169 2HB LYS 19 1HB LYS 19 7.632 -2.296 10.858 170 1HG LYS 19 2HG LYS 19 7.459 -2.959 8.401 171 2HG LYS 19 1HG LYS 19 7.770 -4.626 8.891 172 1HD LYS 19 2HD LYS 19 5.408 -2.883 9.585 173 2HD LYS 19 1HD LYS 19 5.419 -4.457 8.783 174 1HE LYS 19 2HE LYS 19 6.149 -5.547 10.838 175 2HE LYS 19 1HE LYS 19 6.293 -3.989 11.652 176 1HZ LYS 19 1HZ LYS 19 4.203 -4.326 12.215 177 2HZ LYS 19 2HZ LYS 19 3.986 -5.530 11.184 178 3HZ LYS 19 3HZ LYS 19 3.791 -4.018 10.699 179 H GLN 20 H GLN 20 9.088 -3.786 7.878 180 HA GLN 20 HA GLN 20 11.342 -5.626 7.766 181 1HB GLN 20 2HB GLN 20 8.438 -6.418 7.862 182 2HB GLN 20 1HB GLN 20 9.706 -7.492 7.268 183 1HG GLN 20 2HG GLN 20 9.860 -6.152 9.950 184 2HG GLN 20 1HG GLN 20 9.074 -7.713 9.743 185 1HE2 GLN 20 1HE2 GLN 20 10.632 -9.083 10.744 186 2HE2 GLN 20 2HE2 GLN 20 12.238 -9.215 10.213 187 H ASP 21 H ASP 21 11.291 -6.860 5.660 188 HA ASP 21 HA ASP 21 10.154 -5.117 3.556 189 1HB ASP 21 2HB ASP 21 11.883 -7.175 2.513 190 2HB ASP 21 1HB ASP 21 12.143 -5.434 2.442 191 H GLY 22 H GLY 22 8.565 -6.091 2.416 192 1HA GLY 22 2HA GLY 22 8.161 -8.933 2.435 193 2HA GLY 22 1HA GLY 22 7.029 -8.064 3.452 194 H ALA 23 H ALA 23 6.130 -9.442 1.157 195 HA ALA 23 HA ALA 23 5.870 -7.509 -0.926 196 1HB ALA 23 1HB ALA 23 4.712 -10.251 -0.433 197 2HB ALA 23 2HB ALA 23 5.945 -9.796 -1.605 198 3HB ALA 23 3HB ALA 23 4.275 -9.283 -1.839 199 H LEU 24 H LEU 24 4.391 -6.183 -1.203 200 HA LEU 24 HA LEU 24 2.108 -6.017 0.688 201 1HB LEU 24 2HB LEU 24 3.954 -4.151 -0.413 202 2HB LEU 24 1HB LEU 24 2.351 -3.684 -0.943 203 HG LEU 24 HG LEU 24 3.411 -4.002 1.854 204 1HD1 LEU 24 1HD1 LEU 24 3.719 -1.792 1.281 205 2HD1 LEU 24 2HD1 LEU 24 2.017 -1.677 1.732 206 3HD1 LEU 24 3HD1 LEU 24 2.473 -1.836 0.037 207 1HD2 LEU 24 1HD2 LEU 24 0.946 -3.358 2.426 208 2HD2 LEU 24 2HD2 LEU 24 1.319 -5.049 2.091 209 3HD2 LEU 24 3HD2 LEU 24 0.571 -4.048 0.846 210 H TYR 25 H TYR 25 0.052 -6.209 -0.073 211 HA TYR 25 HA TYR 25 -0.367 -6.435 -3.001 212 1HB TYR 25 2HB TYR 25 -1.568 -7.708 -0.566 213 2HB TYR 25 1HB TYR 25 -2.624 -7.416 -1.941 214 HD1 TYR 25 HD1 TYR 25 0.352 -9.240 -0.745 215 HD2 TYR 25 HD2 TYR 25 -2.375 -8.628 -4.000 216 HE1 TYR 25 HE1 TYR 25 1.180 -11.316 -1.816 217 HE2 TYR 25 HE2 TYR 25 -1.558 -10.714 -5.077 218 HH TYR 25 HH TYR 25 0.873 -12.771 -3.476 219 H LEU 26 H LEU 26 -1.990 -4.882 -3.902 220 HA LEU 26 HA LEU 26 -3.112 -3.149 -1.813 221 1HB LEU 26 2HB LEU 26 -1.528 -2.090 -3.469 222 2HB LEU 26 1HB LEU 26 -2.637 -2.570 -4.755 223 HG LEU 26 HG LEU 26 -4.257 -1.327 -2.834 224 1HD1 LEU 26 1HD1 LEU 26 -1.815 -0.512 -2.119 225 2HD1 LEU 26 2HD1 LEU 26 -3.199 0.580 -2.081 226 3HD1 LEU 26 3HD1 LEU 26 -2.078 0.624 -3.441 227 1HD2 LEU 26 1HD2 LEU 26 -3.891 0.598 -4.726 228 2HD2 LEU 26 2HD2 LEU 26 -4.902 -0.826 -4.973 229 3HD2 LEU 26 3HD2 LEU 26 -3.243 -0.807 -5.574 230 H MET 27 H MET 27 -5.336 -3.067 -1.759 231 HA MET 27 HA MET 27 -6.800 -4.370 -3.967 232 1HB MET 27 2HB MET 27 -6.624 -5.685 -1.729 233 2HB MET 27 1HB MET 27 -7.679 -4.431 -1.078 234 1HG MET 27 2HG MET 27 -9.488 -5.144 -2.262 235 2HG MET 27 1HG MET 27 -8.523 -5.607 -3.662 236 1HE MET 27 1HE MET 27 -9.667 -8.835 -3.623 237 2HE MET 27 2HE MET 27 -10.158 -7.161 -3.868 238 3HE MET 27 3HE MET 27 -10.852 -8.089 -2.541 239 H ALA 28 H ALA 28 -8.630 -3.162 -4.610 240 HA ALA 28 HA ALA 28 -8.748 -0.463 -4.347 241 1HB ALA 28 1HB ALA 28 -10.828 -2.572 -4.750 242 2HB ALA 28 2HB ALA 28 -10.392 -1.207 -5.784 243 3HB ALA 28 3HB ALA 28 -11.398 -0.946 -4.360 244 H GLU 29 H GLU 29 -10.690 -2.624 -2.343 245 HA GLU 29 HA GLU 29 -11.184 -0.510 -0.464 246 1HB GLU 29 2HB GLU 29 -12.835 -2.267 -1.116 247 2HB GLU 29 1HB GLU 29 -11.849 -3.431 -0.235 248 1HG GLU 29 2HG GLU 29 -13.117 -2.883 1.559 249 2HG GLU 29 1HG GLU 29 -12.157 -1.407 1.618 250 H ARG 30 H ARG 30 -8.560 -2.828 -0.572 251 HA ARG 30 HA ARG 30 -7.897 -1.899 2.091 252 1HB ARG 30 2HB ARG 30 -8.003 -3.916 3.246 253 2HB ARG 30 1HB ARG 30 -9.485 -3.920 2.307 254 1HG ARG 30 2HG ARG 30 -7.406 -5.075 0.719 255 2HG ARG 30 1HG ARG 30 -7.380 -5.830 2.313 256 1HD ARG 30 2HD ARG 30 -8.947 -7.086 0.985 257 2HD ARG 30 1HD ARG 30 -9.895 -6.107 2.098 258 HE ARG 30 HE ARG 30 -9.566 -4.568 -0.200 259 1HH1 ARG 30 1HH2 ARG 30 -10.790 -7.691 0.651 260 2HH1 ARG 30 2HH2 ARG 30 -12.012 -7.690 -0.575 261 1HH2 ARG 30 1HH1 ARG 30 -11.187 -4.554 -1.790 262 2HH2 ARG 30 2HH1 ARG 30 -12.236 -5.922 -1.952 263 H ILE 31 H ILE 31 -5.857 -2.698 2.857 264 HA ILE 31 HA ILE 31 -4.011 -3.281 0.608 265 HB ILE 31 HB ILE 31 -3.813 -1.572 3.067 266 1HG1 ILE 31 2HG1 ILE 31 -4.229 -0.752 0.702 267 2HG1 ILE 31 1HG1 ILE 31 -2.849 -0.018 1.519 268 1HG2 ILE 31 1HG2 ILE 31 -1.697 -3.394 2.095 269 2HG2 ILE 31 2HG2 ILE 31 -1.833 -2.551 3.637 270 3HG2 ILE 31 3HG2 ILE 31 -1.198 -1.708 2.226 271 1HD1 ILE 31 1HD1 ILE 31 -1.512 -0.715 -0.149 272 2HD1 ILE 31 2HD1 ILE 31 -2.882 -1.495 -0.937 273 3HD1 ILE 31 3HD1 ILE 31 -1.919 -2.386 0.238 274 H ALA 32 H ALA 32 -2.728 -5.128 0.779 275 HA ALA 32 HA ALA 32 -2.956 -6.621 3.327 276 1HB ALA 32 1HB ALA 32 -3.719 -7.377 0.655 277 2HB ALA 32 2HB ALA 32 -3.936 -8.268 2.162 278 3HB ALA 32 3HB ALA 32 -2.442 -8.443 1.241 279 H TRP 33 H TRP 33 -1.142 -7.735 4.034 280 HA TRP 33 HA TRP 33 1.317 -7.163 2.474 281 1HB TRP 33 2HB TRP 33 1.102 -5.779 4.560 282 2HB TRP 33 1HB TRP 33 1.169 -7.274 5.476 283 HD1 TRP 33 HD1 TRP 33 3.218 -6.255 2.389 284 HE1 TRP 33 HE1 TRP 33 5.697 -6.398 3.063 285 HE3 TRP 33 HE3 TRP 33 2.856 -7.653 7.285 286 HZ2 TRP 33 HZ2 TRP 33 7.326 -7.011 5.208 287 HZ3 TRP 33 HZ3 TRP 33 4.905 -8.063 8.596 288 HH2 TRP 33 HH2 TRP 33 7.145 -7.766 7.566 289 H ALA 34 H ALA 34 2.752 -8.804 2.297 290 HA ALA 34 HA ALA 34 2.451 -11.208 3.890 291 1HB ALA 34 1HB ALA 34 1.635 -11.012 1.057 292 2HB ALA 34 2HB ALA 34 1.055 -12.082 2.335 293 3HB ALA 34 3HB ALA 34 2.574 -12.435 1.513 294 HA PRO 35 HA PRO 35 6.680 -11.047 2.622 295 1HB PRO 35 2HB PRO 35 7.638 -11.707 5.212 296 2HB PRO 35 1HB PRO 35 7.503 -10.089 4.508 297 1HG PRO 35 2HG PRO 35 5.893 -11.267 6.612 298 2HG PRO 35 1HG PRO 35 5.844 -9.616 5.985 299 1HD PRO 35 2HD PRO 35 3.943 -11.723 5.535 300 2HD PRO 35 1HD PRO 35 3.906 -10.068 4.898 301 H GLU 36 H GLU 36 6.020 -13.480 5.173 302 HA GLU 36 HA GLU 36 7.890 -15.351 4.205 303 1HB GLU 36 2HB GLU 36 6.060 -15.170 6.346 304 2HB GLU 36 1HB GLU 36 5.645 -16.646 5.475 305 1HG GLU 36 2HG GLU 36 8.449 -16.625 5.554 306 2HG GLU 36 1HG GLU 36 7.945 -16.105 7.163 307 H GLY 37 H GLY 37 7.143 -17.611 3.426 308 1HA GLY 37 2HA GLY 37 5.377 -17.160 1.121 309 2HA GLY 37 1HA GLY 37 6.518 -18.493 1.305 310 H LYS 38 H LYS 38 5.660 -19.054 4.080 311 HA LYS 38 HA LYS 38 3.747 -21.017 3.586 312 1HB LYS 38 2HB LYS 38 4.587 -19.547 6.080 313 2HB LYS 38 1HB LYS 38 3.301 -20.753 6.131 314 1HG LYS 38 2HG LYS 38 5.291 -22.002 4.650 315 2HG LYS 38 1HG LYS 38 6.191 -21.133 5.894 316 1HD LYS 38 2HD LYS 38 5.618 -23.328 6.758 317 2HD LYS 38 1HD LYS 38 4.653 -22.124 7.612 318 1HE LYS 38 2HE LYS 38 2.740 -23.055 6.879 319 2HE LYS 38 1HE LYS 38 3.289 -22.966 5.206 320 1HZ LYS 38 1HZ LYS 38 3.963 -25.078 7.102 321 2HZ LYS 38 2HZ LYS 38 4.506 -24.991 5.600 322 3HZ LYS 38 3HZ LYS 38 2.946 -25.219 5.873 323 H ASP 39 H ASP 39 2.600 -18.799 6.009 324 HA ASP 39 HA ASP 39 0.061 -18.638 4.650 325 1HB ASP 39 2HB ASP 39 1.092 -18.170 7.308 326 2HB ASP 39 1HB ASP 39 0.131 -16.788 6.781 327 H ARG 40 H ARG 40 1.537 -17.600 2.811 328 HA ARG 40 HA ARG 40 2.652 -15.294 2.451 329 1HB ARG 40 2HB ARG 40 0.389 -14.923 0.778 330 2HB ARG 40 1HB ARG 40 1.973 -15.554 0.340 331 1HG ARG 40 2HG ARG 40 1.260 -17.823 1.007 332 2HG ARG 40 1HG ARG 40 -0.330 -17.193 1.443 333 1HD ARG 40 2HD ARG 40 -0.432 -18.150 -0.800 334 2HD ARG 40 1HD ARG 40 -0.613 -16.398 -0.907 335 HE ARG 40 HE ARG 40 2.076 -16.793 -1.192 336 1HH1 ARG 40 1HH2 ARG 40 -0.798 -18.036 -2.653 337 2HH1 ARG 40 2HH2 ARG 40 -0.056 -18.288 -4.197 338 1HH2 ARG 40 1HH1 ARG 40 3.050 -17.118 -3.201 339 2HH2 ARG 40 2HH1 ARG 40 2.118 -17.770 -4.507 340 H PHE 41 H PHE 41 -0.769 -14.841 2.196 341 HA PHE 41 HA PHE 41 -0.843 -12.177 2.783 342 1HB PHE 41 2HB PHE 41 -2.846 -14.359 3.339 343 2HB PHE 41 1HB PHE 41 -3.196 -12.660 3.689 344 HD1 PHE 41 HD1 PHE 41 -3.794 -15.016 1.295 345 HD2 PHE 41 HD2 PHE 41 -2.046 -11.108 1.665 346 HE1 PHE 41 HE1 PHE 41 -4.200 -14.609 -1.117 347 HE2 PHE 41 HE2 PHE 41 -2.456 -10.699 -0.751 348 HZ PHE 41 HZ PHE 41 -3.527 -12.453 -2.138 349 H THR 42 H THR 42 -0.037 -11.113 4.434 350 HA THR 42 HA THR 42 -0.143 -12.348 7.115 351 HB THR 42 HB THR 42 2.080 -11.518 5.650 352 HG1 THR 42 HG1 THR 42 1.686 -12.798 7.708 353 1HG2 THR 42 1HG2 THR 42 1.735 -9.174 5.903 354 2HG2 THR 42 2HG2 THR 42 2.966 -9.625 7.080 355 3HG2 THR 42 3HG2 THR 42 1.309 -9.348 7.609 356 H ILE 43 H ILE 43 -1.196 -9.788 5.135 357 HA ILE 43 HA ILE 43 -2.482 -8.568 7.476 358 HB ILE 43 HB ILE 43 -0.144 -7.474 6.268 359 1HG1 ILE 43 2HG1 ILE 43 -1.972 -6.810 8.548 360 2HG1 ILE 43 1HG1 ILE 43 -0.314 -7.414 8.596 361 1HG2 ILE 43 1HG2 ILE 43 -2.478 -5.545 6.247 362 2HG2 ILE 43 2HG2 ILE 43 -1.856 -6.297 4.783 363 3HG2 ILE 43 3HG2 ILE 43 -0.825 -5.227 5.726 364 1HD1 ILE 43 1HD1 ILE 43 -1.296 -4.665 8.373 365 2HD1 ILE 43 2HD1 ILE 43 -0.046 -5.059 7.190 366 3HD1 ILE 43 3HD1 ILE 43 0.277 -5.248 8.919 367 H SER 44 H SER 44 -4.099 -7.024 6.960 368 HA SER 44 HA SER 44 -4.854 -6.473 4.281 369 1HB SER 44 2HB SER 44 -5.687 -8.686 4.121 370 2HB SER 44 1HB SER 44 -6.294 -8.663 5.774 371 HG SER 44 HG SER 44 -7.762 -8.268 3.807 372 H HIS 45 H HIS 45 -5.230 -4.328 4.872 373 HA HIS 45 HA HIS 45 -7.130 -3.910 7.107 374 1HB HIS 45 2HB HIS 45 -5.972 -1.481 6.118 375 2HB HIS 45 1HB HIS 45 -5.914 -2.136 7.752 376 HD1 HIS 45 HD1 HIS 45 -3.597 -2.595 8.531 377 HD2 HIS 45 HD2 HIS 45 -3.899 -2.871 4.393 378 HE1 HIS 45 HE1 HIS 45 -1.248 -2.983 7.665 379 H MET 46 H MET 46 -9.118 -3.343 6.502 380 HA MET 46 HA MET 46 -9.753 -2.736 3.769 381 1HB MET 46 2HB MET 46 -11.228 -3.066 6.305 382 2HB MET 46 1HB MET 46 -11.943 -1.911 5.184 383 1HG MET 46 2HG MET 46 -12.182 -3.529 3.479 384 2HG MET 46 1HG MET 46 -11.041 -4.632 4.248 385 1HE MET 46 1HE MET 46 -12.260 -6.554 4.073 386 2HE MET 46 2HE MET 46 -13.455 -7.100 5.247 387 3HE MET 46 3HE MET 46 -11.845 -6.636 5.790 388 H TYR 47 H TYR 47 -9.062 -0.838 2.948 389 HA TYR 47 HA TYR 47 -8.221 1.417 4.117 390 1HB TYR 47 2HB TYR 47 -9.623 0.849 1.538 391 2HB TYR 47 1HB TYR 47 -9.405 2.534 2.004 392 HD1 TYR 47 HD1 TYR 47 -6.701 1.069 3.591 393 HD2 TYR 47 HD2 TYR 47 -8.103 1.830 -0.413 394 HE1 TYR 47 HE1 TYR 47 -4.380 1.073 2.769 395 HE2 TYR 47 HE2 TYR 47 -5.780 1.847 -1.200 396 HH TYR 47 HH TYR 47 -3.648 1.689 -0.662 397 H ALA 48 H ALA 48 -11.694 0.713 3.469 398 HA ALA 48 HA ALA 48 -12.523 3.214 4.602 399 1HB ALA 48 1HB ALA 48 -14.116 2.042 3.239 400 2HB ALA 48 2HB ALA 48 -14.740 1.985 4.889 401 3HB ALA 48 3HB ALA 48 -13.947 0.569 4.198 402 H ASP 49 H ASP 49 -12.211 -0.029 5.805 403 HA ASP 49 HA ASP 49 -13.030 0.263 8.454 404 1HB ASP 49 2HB ASP 49 -10.873 -1.434 7.219 405 2HB ASP 49 1HB ASP 49 -11.099 -1.417 8.966 406 H ILE 50 H ILE 50 -10.051 1.291 6.932 407 HA ILE 50 HA ILE 50 -9.390 2.475 9.549 408 HB ILE 50 HB ILE 50 -7.303 1.760 9.197 409 1HG1 ILE 50 2HG1 ILE 50 -6.720 3.543 7.621 410 2HG1 ILE 50 1HG1 ILE 50 -6.056 2.007 7.063 411 1HG2 ILE 50 1HG2 ILE 50 -7.008 -0.148 7.822 412 2HG2 ILE 50 2HG2 ILE 50 -8.295 0.372 6.735 413 3HG2 ILE 50 3HG2 ILE 50 -8.683 -0.157 8.371 414 1HD1 ILE 50 1HD1 ILE 50 -8.477 1.925 5.896 415 2HD1 ILE 50 2HD1 ILE 50 -7.029 2.543 5.109 416 3HD1 ILE 50 3HD1 ILE 50 -8.166 3.660 5.860 417 H LYS 51 H LYS 51 -8.397 4.797 9.385 418 HA LYS 51 HA LYS 51 -9.093 6.023 6.828 419 1HB LYS 51 2HB LYS 51 -11.160 6.021 8.303 420 2HB LYS 51 1HB LYS 51 -10.300 7.179 9.322 421 1HG LYS 51 2HG LYS 51 -10.601 7.557 6.337 422 2HG LYS 51 1HG LYS 51 -11.766 8.206 7.495 423 1HD LYS 51 2HD LYS 51 -9.606 9.190 8.653 424 2HD LYS 51 1HD LYS 51 -8.887 8.972 7.056 425 1HE LYS 51 2HE LYS 51 -9.786 11.006 6.592 426 2HE LYS 51 1HE LYS 51 -11.310 10.131 6.443 427 1HZ LYS 51 1HZ LYS 51 -11.697 10.575 8.753 428 2HZ LYS 51 2HZ LYS 51 -11.484 11.954 7.971 429 3HZ LYS 51 3HZ LYS 51 -10.313 11.367 8.890 430 H CYS 52 H CYS 52 -7.205 6.877 6.445 431 HA CYS 52 HA CYS 52 -6.501 9.346 7.341 432 1HB CYS 52 2HB CYS 52 -5.511 7.204 9.034 433 2HB CYS 52 1HB CYS 52 -4.227 8.249 8.434 434 HG CYS 52 HG CYS 52 -5.322 10.264 9.595 435 H GLN 53 H GLN 53 -5.041 10.090 5.778 436 HA GLN 53 HA GLN 53 -3.514 7.990 4.379 437 1HB GLN 53 2HB GLN 53 -5.774 9.560 3.332 438 2HB GLN 53 1HB GLN 53 -4.358 9.503 2.281 439 1HG GLN 53 2HG GLN 53 -5.460 6.999 3.551 440 2HG GLN 53 1HG GLN 53 -6.108 7.613 2.030 441 1HE2 GLN 53 1HE2 GLN 53 -5.233 5.995 0.629 442 2HE2 GLN 53 2HE2 GLN 53 -3.565 5.768 0.410 443 H LYS 54 H LYS 54 -1.571 8.561 3.973 444 HA LYS 54 HA LYS 54 -0.835 11.411 3.732 445 1HB LYS 54 2HB LYS 54 -0.161 9.529 5.787 446 2HB LYS 54 1HB LYS 54 1.291 9.830 4.837 447 1HG LYS 54 2HG LYS 54 -0.399 12.157 5.670 448 2HG LYS 54 1HG LYS 54 0.653 11.397 6.865 449 1HD LYS 54 2HD LYS 54 1.628 12.304 4.145 450 2HD LYS 54 1HD LYS 54 1.713 13.317 5.586 451 1HE LYS 54 2HE LYS 54 2.814 11.050 6.566 452 2HE LYS 54 1HE LYS 54 3.291 10.903 4.874 453 1HZ LYS 54 1HZ LYS 54 4.871 12.153 6.187 454 2HZ LYS 54 2HZ LYS 54 3.765 13.258 6.528 455 3HZ LYS 54 3HZ LYS 54 4.256 13.058 5.018 456 H ILE 55 H ILE 55 -0.125 11.525 1.574 457 HA ILE 55 HA ILE 55 1.779 9.430 0.771 458 HB ILE 55 HB ILE 55 -0.327 10.338 -1.169 459 1HG1 ILE 55 2HG1 ILE 55 -1.404 9.432 0.954 460 2HG1 ILE 55 1HG1 ILE 55 -1.785 8.544 -0.522 461 1HG2 ILE 55 1HG2 ILE 55 1.640 8.086 -0.898 462 2HG2 ILE 55 2HG2 ILE 55 1.326 9.130 -2.284 463 3HG2 ILE 55 3HG2 ILE 55 0.186 7.850 -1.868 464 1HD1 ILE 55 1HD1 ILE 55 -0.884 7.359 1.756 465 2HD1 ILE 55 2HD1 ILE 55 0.639 7.630 0.909 466 3HD1 ILE 55 3HD1 ILE 55 -0.641 6.688 0.143 467 H SER 56 H SER 56 3.499 10.820 0.673 468 HA SER 56 HA SER 56 3.215 13.070 -1.205 469 1HB SER 56 2HB SER 56 5.385 13.018 0.844 470 2HB SER 56 1HB SER 56 4.559 14.396 0.122 471 HG SER 56 HG SER 56 3.889 12.842 2.307 472 HA PRO 57 HA PRO 57 6.932 10.472 -2.133 473 1HB PRO 57 2HB PRO 57 5.935 8.217 -3.590 474 2HB PRO 57 1HB PRO 57 6.842 8.272 -2.075 475 1HG PRO 57 2HG PRO 57 4.070 7.670 -2.423 476 2HG PRO 57 1HG PRO 57 5.005 7.623 -0.963 477 1HD PRO 57 2HD PRO 57 3.042 9.573 -1.694 478 2HD PRO 57 1HD PRO 57 4.047 9.525 -0.238 479 H GLU 58 H GLU 58 5.933 12.555 -3.422 480 HA GLU 58 HA GLU 58 5.768 11.797 -6.270 481 1HB GLU 58 2HB GLU 58 4.056 13.392 -5.301 482 2HB GLU 58 1HB GLU 58 5.374 14.522 -4.991 483 1HG GLU 58 2HG GLU 58 5.189 15.263 -7.106 484 2HG GLU 58 1HG GLU 58 5.668 13.664 -7.675 485 H GLY 59 H GLY 59 7.651 13.424 -3.821 486 1HA GLY 59 2HA GLY 59 9.958 13.448 -5.596 487 2HA GLY 59 1HA GLY 59 9.506 14.986 -4.840 488 H LYS 60 H LYS 60 9.107 11.760 -3.433 489 HA LYS 60 HA LYS 60 10.651 12.713 -1.117 490 1HB LYS 60 2HB LYS 60 8.520 10.640 -1.537 491 2HB LYS 60 1HB LYS 60 9.542 10.574 -0.114 492 1HG LYS 60 2HG LYS 60 7.269 11.945 -0.073 493 2HG LYS 60 1HG LYS 60 8.691 12.523 0.790 494 1HD LYS 60 2HD LYS 60 9.271 13.972 -1.119 495 2HD LYS 60 1HD LYS 60 7.860 13.387 -1.996 496 1HE LYS 60 2HE LYS 60 6.740 15.109 -1.048 497 2HE LYS 60 1HE LYS 60 6.803 14.171 0.444 498 1HZ LYS 60 1HZ LYS 60 7.719 16.443 0.579 499 2HZ LYS 60 2HZ LYS 60 8.928 15.988 -0.365 500 3HZ LYS 60 3HZ LYS 60 8.731 15.303 1.067 501 H ALA 61 H ALA 61 11.409 10.634 0.150 502 HA ALA 61 HA ALA 61 13.836 9.811 -0.674 503 1HB ALA 61 1HB ALA 61 11.956 7.810 0.578 504 2HB ALA 61 2HB ALA 61 12.576 9.191 1.483 505 3HB ALA 61 3HB ALA 61 13.692 7.990 0.833 506 H LYS 62 H LYS 62 11.063 7.543 -1.140 507 HA LYS 62 HA LYS 62 11.771 7.208 -3.895 508 1HB LYS 62 2HB LYS 62 12.202 4.619 -3.296 509 2HB LYS 62 1HB LYS 62 13.508 5.776 -3.486 510 1HG LYS 62 2HG LYS 62 12.248 5.713 -0.807 511 2HG LYS 62 1HG LYS 62 13.118 4.246 -1.247 512 1HD LYS 62 2HD LYS 62 14.512 6.788 -1.817 513 2HD LYS 62 1HD LYS 62 14.260 6.417 -0.110 514 1HE LYS 62 2HE LYS 62 16.012 5.006 -0.213 515 2HE LYS 62 1HE LYS 62 15.075 3.998 -1.316 516 1HZ LYS 62 1HZ LYS 62 17.222 5.734 -1.891 517 2HZ LYS 62 2HZ LYS 62 15.973 5.981 -2.859 518 3HZ LYS 62 3HZ LYS 62 16.634 4.527 -2.764 519 H ILE 63 H ILE 63 9.195 7.585 -2.362 520 HA ILE 63 HA ILE 63 7.139 6.917 -3.104 521 HB ILE 63 HB ILE 63 6.583 5.002 -4.165 522 1HG1 ILE 63 2HG1 ILE 63 7.119 3.039 -3.155 523 2HG1 ILE 63 1HG1 ILE 63 8.554 3.092 -4.157 524 1HG2 ILE 63 1HG2 ILE 63 9.197 4.581 -5.301 525 2HG2 ILE 63 2HG2 ILE 63 8.952 6.302 -4.987 526 3HG2 ILE 63 3HG2 ILE 63 7.801 5.419 -5.985 527 1HD1 ILE 63 1HD1 ILE 63 9.832 3.130 -2.341 528 2HD1 ILE 63 2HD1 ILE 63 8.405 3.073 -1.333 529 3HD1 ILE 63 3HD1 ILE 63 9.093 4.602 -1.788 530 H GLN 64 H GLN 64 7.314 7.400 -0.626 531 HA GLN 64 HA GLN 64 6.610 4.916 0.852 532 1HB GLN 64 2HB GLN 64 7.453 5.872 2.811 533 2HB GLN 64 1HB GLN 64 8.547 6.492 1.577 534 1HG GLN 64 2HG GLN 64 6.696 8.425 1.488 535 2HG GLN 64 1HG GLN 64 6.483 7.926 3.166 536 1HE2 GLN 64 1HE2 GLN 64 9.434 8.150 1.102 537 2HE2 GLN 64 2HE2 GLN 64 10.286 9.155 2.173 538 H LEU 65 H LEU 65 4.582 4.655 1.714 539 HA LEU 65 HA LEU 65 2.849 7.050 1.649 540 1HB LEU 65 2HB LEU 65 0.967 5.673 1.019 541 2HB LEU 65 1HB LEU 65 2.288 5.385 -0.096 542 HG LEU 65 HG LEU 65 1.088 3.309 0.573 543 1HD1 LEU 65 1HD1 LEU 65 2.977 2.170 0.249 544 2HD1 LEU 65 2HD1 LEU 65 3.651 2.717 1.780 545 3HD1 LEU 65 3HD1 LEU 65 3.815 3.718 0.337 546 1HD2 LEU 65 1HD2 LEU 65 2.388 3.333 3.250 547 2HD2 LEU 65 2HD2 LEU 65 0.930 2.503 2.715 548 3HD2 LEU 65 3HD2 LEU 65 0.884 4.233 3.054 549 H GLN 66 H GLN 66 1.047 7.035 3.223 550 HA GLN 66 HA GLN 66 1.427 5.329 5.568 551 1HB GLN 66 2HB GLN 66 2.755 7.727 5.502 552 2HB GLN 66 1HB GLN 66 1.234 8.180 6.273 553 1HG GLN 66 2HG GLN 66 1.512 6.366 7.916 554 2HG GLN 66 1HG GLN 66 3.026 5.894 7.141 555 1HE2 GLN 66 1HE2 GLN 66 2.651 6.916 9.929 556 2HE2 GLN 66 2HE2 GLN 66 3.607 8.314 10.039 557 H LEU 67 H LEU 67 -0.487 4.910 6.480 558 HA LEU 67 HA LEU 67 -2.777 6.746 6.100 559 1HB LEU 67 2HB LEU 67 -3.316 5.340 4.355 560 2HB LEU 67 1HB LEU 67 -2.386 3.997 5.004 561 HG LEU 67 HG LEU 67 -4.709 4.688 6.659 562 1HD1 LEU 67 1HD1 LEU 67 -6.398 4.478 5.157 563 2HD1 LEU 67 2HD1 LEU 67 -5.533 3.257 4.223 564 3HD1 LEU 67 3HD1 LEU 67 -5.184 4.968 3.975 565 1HD2 LEU 67 1HD2 LEU 67 -4.180 2.564 7.214 566 2HD2 LEU 67 2HD2 LEU 67 -3.102 2.426 5.824 567 3HD2 LEU 67 3HD2 LEU 67 -4.821 2.062 5.648 568 H VAL 68 H VAL 68 -4.447 6.342 7.729 569 HA VAL 68 HA VAL 68 -3.488 4.627 9.904 570 HB VAL 68 HB VAL 68 -4.784 7.249 10.566 571 1HG1 VAL 68 1HG1 VAL 68 -3.033 5.241 11.981 572 2HG1 VAL 68 2HG1 VAL 68 -4.700 5.674 12.374 573 3HG1 VAL 68 3HG1 VAL 68 -3.399 6.829 12.647 574 1HG2 VAL 68 1HG2 VAL 68 -2.381 7.084 9.226 575 2HG2 VAL 68 2HG2 VAL 68 -1.894 7.031 10.918 576 3HG2 VAL 68 3HG2 VAL 68 -2.841 8.392 10.315 577 H LEU 69 H LEU 69 -4.999 4.015 11.370 578 HA LEU 69 HA LEU 69 -7.504 3.298 10.107 579 1HB LEU 69 2HB LEU 69 -6.255 2.558 12.768 580 2HB LEU 69 1HB LEU 69 -7.569 1.695 11.999 581 HG LEU 69 HG LEU 69 -4.792 1.202 11.716 582 1HD1 LEU 69 1HD1 LEU 69 -5.717 -0.242 9.699 583 2HD1 LEU 69 2HD1 LEU 69 -7.262 0.167 10.464 584 3HD1 LEU 69 3HD1 LEU 69 -6.016 -0.676 11.386 585 1HD2 LEU 69 1HD2 LEU 69 -4.712 1.302 9.117 586 2HD2 LEU 69 2HD2 LEU 69 -4.286 2.734 10.050 587 3HD2 LEU 69 3HD2 LEU 69 -5.873 2.609 9.302 588 H HIS 70 H HIS 70 -9.592 3.881 10.984 589 HA HIS 70 HA HIS 70 -9.843 6.370 12.208 590 1HB HIS 70 2HB HIS 70 -12.103 5.579 12.987 591 2HB HIS 70 1HB HIS 70 -11.814 5.295 11.273 592 HD1 HIS 70 HD1 HIS 70 -11.200 3.330 14.501 593 HD2 HIS 70 HD2 HIS 70 -12.546 2.726 10.592 594 HE1 HIS 70 HE1 HIS 70 -11.837 0.885 14.328 595 H ALA 71 H ALA 71 -9.059 3.264 13.428 596 HA ALA 71 HA ALA 71 -9.250 3.989 16.227 597 1HB ALA 71 1HB ALA 71 -7.647 1.691 15.096 598 2HB ALA 71 2HB ALA 71 -9.405 1.603 15.204 599 3HB ALA 71 3HB ALA 71 -8.441 1.805 16.667 600 H GLY 72 H GLY 72 -6.616 2.898 16.933 601 1HA GLY 72 2HA GLY 72 -5.008 5.212 16.110 602 2HA GLY 72 1HA GLY 72 -4.834 4.338 17.634 603 H ASP 73 H ASP 73 -5.019 3.386 14.309 604 HA ASP 73 HA ASP 73 -2.403 2.026 14.636 605 1HB ASP 73 2HB ASP 73 -4.990 0.951 13.559 606 2HB ASP 73 1HB ASP 73 -3.462 0.332 12.930 607 H THR 74 H THR 74 -0.975 2.499 13.084 608 HA THR 74 HA THR 74 -1.983 4.049 10.794 609 HB THR 74 HB THR 74 0.917 3.934 11.434 610 HG1 THR 74 HG1 THR 74 0.324 5.780 12.923 611 1HG2 THR 74 1HG2 THR 74 -0.994 5.628 10.025 612 2HG2 THR 74 2HG2 THR 74 0.758 5.531 9.850 613 3HG2 THR 74 3HG2 THR 74 0.052 6.558 11.098 614 H THR 75 H THR 75 -0.703 3.672 8.716 615 HA THR 75 HA THR 75 0.295 0.923 8.600 616 HB THR 75 HB THR 75 -1.298 2.136 6.352 617 HG1 THR 75 HG1 THR 75 -2.238 1.071 8.762 618 1HG2 THR 75 1HG2 THR 75 0.147 -0.104 6.457 619 2HG2 THR 75 2HG2 THR 75 -1.360 -0.022 5.545 620 3HG2 THR 75 3HG2 THR 75 -1.343 -0.736 7.157 621 H ASN 76 H ASN 76 2.473 1.440 8.183 622 HA ASN 76 HA ASN 76 2.937 3.632 6.254 623 1HB ASN 76 2HB ASN 76 4.803 2.453 8.339 624 2HB ASN 76 1HB ASN 76 5.175 3.798 7.262 625 1HD2 ASN 76 1HD2 ASN 76 2.531 2.913 9.575 626 2HD2 ASN 76 2HD2 ASN 76 2.414 4.464 10.252 627 H PHE 77 H PHE 77 4.066 3.063 4.352 628 HA PHE 77 HA PHE 77 5.374 0.449 4.394 629 1HB PHE 77 2HB PHE 77 2.755 0.830 3.307 630 2HB PHE 77 1HB PHE 77 3.879 0.483 2.004 631 HD1 PHE 77 HD1 PHE 77 5.789 -1.305 2.909 632 HD2 PHE 77 HD2 PHE 77 1.669 -1.113 4.100 633 HE1 PHE 77 HE1 PHE 77 5.855 -3.692 3.520 634 HE2 PHE 77 HE2 PHE 77 1.736 -3.506 4.692 635 HZ PHE 77 HZ PHE 77 3.850 -4.782 4.380 636 H HIS 78 H HIS 78 6.854 0.177 2.845 637 HA HIS 78 HA HIS 78 7.309 2.395 0.943 638 1HB HIS 78 2HB HIS 78 8.754 2.697 3.013 639 2HB HIS 78 1HB HIS 78 9.588 1.205 2.570 640 HD1 HIS 78 HD1 HIS 78 10.822 1.183 0.244 641 HD2 HIS 78 HD2 HIS 78 9.526 4.969 1.406 642 HE1 HIS 78 HE1 HIS 78 11.877 2.856 -1.318 643 H PHE 79 H PHE 79 8.842 1.811 -0.677 644 HA PHE 79 HA PHE 79 9.094 -1.076 -1.310 645 1HB PHE 79 2HB PHE 79 8.422 1.075 -3.321 646 2HB PHE 79 1HB PHE 79 8.375 -0.662 -3.549 647 HD1 PHE 79 HD1 PHE 79 6.776 2.093 -1.554 648 HD2 PHE 79 HD2 PHE 79 6.349 -1.792 -3.334 649 HE1 PHE 79 HE1 PHE 79 4.342 2.106 -1.017 650 HE2 PHE 79 HE2 PHE 79 3.950 -1.790 -2.749 651 HZ PHE 79 HZ PHE 79 2.950 0.141 -1.611 652 H SER 80 H SER 80 11.428 -1.439 -2.232 653 HA SER 80 HA SER 80 12.483 0.545 -3.754 654 1HB SER 80 2HB SER 80 13.095 2.143 -2.343 655 2HB SER 80 1HB SER 80 12.749 1.134 -0.936 656 HG SER 80 HG SER 80 15.122 1.561 -2.304 657 H ASN 81 H ASN 81 14.555 0.082 -4.462 658 HA ASN 81 HA ASN 81 15.962 -2.197 -3.348 659 1HB ASN 81 2HB ASN 81 14.471 -2.248 -5.940 660 2HB ASN 81 1HB ASN 81 16.049 -3.036 -5.879 661 1HD2 ASN 81 1HD2 ASN 81 12.939 -2.915 -4.066 662 2HD2 ASN 81 2HD2 ASN 81 13.010 -4.526 -3.546 663 H GLU 82 H GLU 82 18.017 -2.483 -4.903 664 HA GLU 82 HA GLU 82 19.123 0.192 -5.138 665 1HB GLU 82 2HB GLU 82 20.293 -2.065 -4.389 666 2HB GLU 82 1HB GLU 82 20.527 -2.267 -6.126 667 1HG GLU 82 2HG GLU 82 21.163 0.444 -5.300 668 2HG GLU 82 1HG GLU 82 22.116 -0.734 -4.397 669 H SER 83 H SER 83 17.038 -1.422 -7.022 670 HA SER 83 HA SER 83 18.014 -0.101 -9.435 671 1HB SER 83 2HB SER 83 18.455 -2.827 -8.978 672 2HB SER 83 1HB SER 83 17.080 -2.753 -10.075 673 HG SER 83 HG SER 83 19.674 -1.658 -10.384 674 H THR 84 H THR 84 15.414 -1.901 -7.789 675 HA THR 84 HA THR 84 13.564 -1.241 -9.922 676 HB THR 84 HB THR 84 13.367 -2.771 -7.330 677 HG1 THR 84 HG1 THR 84 13.937 -4.217 -8.723 678 1HG2 THR 84 1HG2 THR 84 11.014 -3.209 -8.753 679 2HG2 THR 84 2HG2 THR 84 11.238 -1.464 -8.808 680 3HG2 THR 84 3HG2 THR 84 11.175 -2.291 -7.256 681 H ALA 85 H ALA 85 14.213 -0.024 -6.652 682 HA ALA 85 HA ALA 85 11.935 1.286 -5.996 683 1HB ALA 85 1HB ALA 85 13.393 1.900 -4.373 684 2HB ALA 85 2HB ALA 85 13.948 3.166 -5.459 685 3HB ALA 85 3HB ALA 85 14.772 1.610 -5.431 686 H VAL 86 H VAL 86 11.047 1.840 -8.112 687 HA VAL 86 HA VAL 86 11.565 4.635 -8.678 688 HB VAL 86 HB VAL 86 11.575 2.806 -11.062 689 1HG1 VAL 86 1HG1 VAL 86 11.340 5.380 -11.090 690 2HG1 VAL 86 2HG1 VAL 86 12.557 4.665 -12.147 691 3HG1 VAL 86 3HG1 VAL 86 13.040 5.408 -10.622 692 1HG2 VAL 86 1HG2 VAL 86 13.358 1.988 -9.533 693 2HG2 VAL 86 2HG2 VAL 86 14.015 3.623 -9.449 694 3HG2 VAL 86 3HG2 VAL 86 14.030 2.744 -10.978 695 H LYS 87 H LYS 87 10.132 3.956 -11.393 696 HA LYS 87 HA LYS 87 7.630 4.904 -10.767 697 1HB LYS 87 2HB LYS 87 8.957 3.784 -13.053 698 2HB LYS 87 1HB LYS 87 7.311 3.155 -12.966 699 1HG LYS 87 2HG LYS 87 6.862 5.768 -12.369 700 2HG LYS 87 1HG LYS 87 8.253 5.923 -13.442 701 1HD LYS 87 2HD LYS 87 7.119 4.686 -15.191 702 2HD LYS 87 1HD LYS 87 5.771 4.319 -14.114 703 1HE LYS 87 2HE LYS 87 4.932 6.479 -14.201 704 2HE LYS 87 1HE LYS 87 6.509 7.189 -14.547 705 1HZ LYS 87 1HZ LYS 87 4.885 7.042 -16.425 706 2HZ LYS 87 2HZ LYS 87 5.166 5.467 -16.461 707 3HZ LYS 87 3HZ LYS 87 6.360 6.498 -16.730 708 H GLU 88 H GLU 88 8.614 1.473 -10.980 709 HA GLU 88 HA GLU 88 6.282 0.110 -10.853 710 1HB GLU 88 2HB GLU 88 7.572 -1.202 -8.881 711 2HB GLU 88 1HB GLU 88 8.073 -1.318 -10.560 712 1HG GLU 88 2HG GLU 88 9.222 1.002 -9.177 713 2HG GLU 88 1HG GLU 88 9.707 -0.546 -8.491 714 H ARG 89 H ARG 89 7.859 0.868 -7.824 715 HA ARG 89 HA ARG 89 5.619 0.635 -6.172 716 1HB ARG 89 2HB ARG 89 7.889 2.542 -5.658 717 2HB ARG 89 1HB ARG 89 7.027 1.532 -4.494 718 1HG ARG 89 2HG ARG 89 9.053 0.669 -6.577 719 2HG ARG 89 1HG ARG 89 9.143 0.437 -4.846 720 1HD ARG 89 2HD ARG 89 7.296 -1.155 -4.904 721 2HD ARG 89 1HD ARG 89 7.017 -0.820 -6.606 722 HE ARG 89 HE ARG 89 9.618 -1.639 -6.527 723 1HH1 ARG 89 1HH2 ARG 89 6.596 -2.837 -5.358 724 2HH1 ARG 89 2HH2 ARG 89 7.031 -4.500 -5.561 725 1HH2 ARG 89 1HH1 ARG 89 10.191 -3.811 -6.800 726 2HH2 ARG 89 2HH1 ARG 89 9.057 -5.050 -6.379 727 H ASP 90 H ASP 90 7.083 3.342 -7.793 728 HA ASP 90 HA ASP 90 5.375 5.403 -6.889 729 1HB ASP 90 2HB ASP 90 7.515 5.322 -8.574 730 2HB ASP 90 1HB ASP 90 6.200 5.552 -9.727 731 H ALA 91 H ALA 91 4.645 2.662 -8.774 732 HA ALA 91 HA ALA 91 2.366 3.950 -10.091 733 1HB ALA 91 1HB ALA 91 3.008 1.019 -10.247 734 2HB ALA 91 2HB ALA 91 3.987 2.172 -11.153 735 3HB ALA 91 3HB ALA 91 2.254 2.056 -11.457 736 H VAL 92 H VAL 92 3.211 1.556 -7.601 737 HA VAL 92 HA VAL 92 0.493 0.790 -7.095 738 HB VAL 92 HB VAL 92 2.856 -0.197 -6.292 739 1HG1 VAL 92 1HG1 VAL 92 3.161 0.278 -3.893 740 2HG1 VAL 92 2HG1 VAL 92 1.967 1.563 -4.005 741 3HG1 VAL 92 3HG1 VAL 92 3.485 1.681 -4.897 742 1HG2 VAL 92 1HG2 VAL 92 1.236 -0.890 -4.141 743 2HG2 VAL 92 2HG2 VAL 92 1.279 -1.705 -5.706 744 3HG2 VAL 92 3HG2 VAL 92 0.087 -0.442 -5.402 745 H LYS 93 H LYS 93 2.728 3.227 -5.945 746 HA LYS 93 HA LYS 93 0.957 4.430 -4.043 747 1HB LYS 93 2HB LYS 93 3.205 5.020 -3.731 748 2HB LYS 93 1HB LYS 93 3.499 5.222 -5.454 749 1HG LYS 93 2HG LYS 93 1.854 7.224 -5.302 750 2HG LYS 93 1HG LYS 93 2.088 7.102 -3.558 751 1HD LYS 93 2HD LYS 93 3.786 8.582 -4.099 752 2HD LYS 93 1HD LYS 93 4.646 7.049 -4.240 753 1HE LYS 93 2HE LYS 93 5.089 7.523 -6.394 754 2HE LYS 93 1HE LYS 93 3.358 7.501 -6.730 755 1HZ LYS 93 1HZ LYS 93 3.767 9.870 -5.567 756 2HZ LYS 93 2HZ LYS 93 3.635 9.634 -7.144 757 3HZ LYS 93 3HZ LYS 93 5.082 9.714 -6.466 758 H ASP 94 H ASP 94 1.725 4.892 -7.500 759 HA ASP 94 HA ASP 94 0.183 7.179 -8.024 760 1HB ASP 94 2HB ASP 94 1.719 6.127 -9.675 761 2HB ASP 94 1HB ASP 94 0.604 4.768 -9.822 762 H LEU 95 H LEU 95 -0.744 3.937 -7.263 763 HA LEU 95 HA LEU 95 -3.508 4.414 -8.151 764 1HB LEU 95 2HB LEU 95 -1.976 2.064 -7.084 765 2HB LEU 95 1HB LEU 95 -3.730 2.084 -6.906 766 HG LEU 95 HG LEU 95 -3.200 0.968 -8.986 767 1HD1 LEU 95 1HD1 LEU 95 -3.970 3.716 -9.914 768 2HD1 LEU 95 2HD1 LEU 95 -5.039 2.841 -8.818 769 3HD1 LEU 95 3HD1 LEU 95 -4.634 2.153 -10.390 770 1HD2 LEU 95 1HD2 LEU 95 -0.990 1.739 -9.455 771 2HD2 LEU 95 2HD2 LEU 95 -1.508 3.424 -9.485 772 3HD2 LEU 95 3HD2 LEU 95 -1.989 2.331 -10.782 773 H LEU 96 H LEU 96 -1.668 3.874 -5.147 774 HA LEU 96 HA LEU 96 -3.463 3.847 -3.153 775 1HB LEU 96 2HB LEU 96 -0.989 5.559 -3.430 776 2HB LEU 96 1HB LEU 96 -1.894 5.463 -1.926 777 HG LEU 96 HG LEU 96 -0.406 3.249 -3.357 778 1HD1 LEU 96 1HD1 LEU 96 -0.369 4.076 -0.455 779 2HD1 LEU 96 2HD1 LEU 96 0.678 4.821 -1.662 780 3HD1 LEU 96 3HD1 LEU 96 0.811 3.095 -1.324 781 1HD2 LEU 96 1HD2 LEU 96 -2.560 2.300 -2.759 782 2HD2 LEU 96 2HD2 LEU 96 -2.496 3.050 -1.165 783 3HD2 LEU 96 3HD2 LEU 96 -1.376 1.750 -1.575 784 H GLN 97 H GLN 97 -2.203 6.988 -4.172 785 HA GLN 97 HA GLN 97 -4.226 8.558 -2.981 786 1HB GLN 97 2HB GLN 97 -3.482 10.362 -4.319 787 2HB GLN 97 1HB GLN 97 -2.050 9.429 -3.920 788 1HG GLN 97 2HG GLN 97 -3.619 9.118 -6.498 789 2HG GLN 97 1HG GLN 97 -2.208 10.158 -6.338 790 1HE2 GLN 97 1HE2 GLN 97 -3.279 6.809 -6.101 791 2HE2 GLN 97 2HE2 GLN 97 -1.754 6.116 -6.166 792 H GLN 98 H GLN 98 -4.744 6.411 -5.392 793 HA GLN 98 HA GLN 98 -6.790 8.007 -6.717 794 1HB GLN 98 2HB GLN 98 -4.949 6.355 -7.834 795 2HB GLN 98 1HB GLN 98 -6.279 5.222 -7.595 796 1HG GLN 98 2HG GLN 98 -7.555 7.468 -8.593 797 2HG GLN 98 1HG GLN 98 -6.042 7.434 -9.501 798 1HE2 GLN 98 1HE2 GLN 98 -5.630 5.566 -10.887 799 2HE2 GLN 98 2HE2 GLN 98 -6.867 4.477 -11.292 800 H LEU 99 H LEU 99 -6.246 5.262 -4.605 801 HA LEU 99 HA LEU 99 -9.065 4.459 -4.737 802 1HB LEU 99 2HB LEU 99 -7.347 3.438 -2.545 803 2HB LEU 99 1HB LEU 99 -8.467 2.563 -3.579 804 HG LEU 99 HG LEU 99 -6.224 3.551 -5.140 805 1HD1 LEU 99 1HD1 LEU 99 -4.410 2.553 -4.045 806 2HD1 LEU 99 2HD1 LEU 99 -5.457 1.579 -3.013 807 3HD1 LEU 99 3HD1 LEU 99 -5.292 3.311 -2.716 808 1HD2 LEU 99 1HD2 LEU 99 -7.247 1.725 -6.090 809 2HD2 LEU 99 2HD2 LEU 99 -7.619 0.995 -4.528 810 3HD2 LEU 99 3HD2 LEU 99 -5.983 0.895 -5.181 811 H LEU 100 H LEU 100 -6.862 6.151 -2.586 812 HA LEU 100 HA LEU 100 -8.208 6.282 -0.239 813 1HB LEU 100 2HB LEU 100 -6.220 7.499 -0.239 814 2HB LEU 100 1HB LEU 100 -6.594 8.320 -1.749 815 HG LEU 100 HG LEU 100 -8.372 8.839 0.599 816 1HD1 LEU 100 1HD1 LEU 100 -6.117 10.690 0.443 817 2HD1 LEU 100 2HD1 LEU 100 -5.615 9.059 0.886 818 3HD1 LEU 100 3HD1 LEU 100 -6.825 9.903 1.853 819 1HD2 LEU 100 1HD2 LEU 100 -8.200 11.169 -0.451 820 2HD2 LEU 100 2HD2 LEU 100 -8.971 9.933 -1.444 821 3HD2 LEU 100 3HD2 LEU 100 -7.301 10.404 -1.761 822 HA PRO 101 HA PRO 101 -11.010 9.678 -2.337 823 1HB PRO 101 2HB PRO 101 -11.030 8.402 -5.020 824 2HB PRO 101 1HB PRO 101 -11.052 10.125 -4.607 825 1HG PRO 101 2HG PRO 101 -8.842 8.774 -5.559 826 2HG PRO 101 1HG PRO 101 -8.753 10.249 -4.581 827 1HD PRO 101 2HD PRO 101 -8.016 7.532 -3.844 828 2HD PRO 101 1HD PRO 101 -7.726 9.041 -2.964 829 H LYS 102 H LYS 102 -10.907 6.346 -3.479 830 HA LYS 102 HA LYS 102 -13.543 5.714 -3.895 831 1HB LYS 102 2HB LYS 102 -11.640 4.166 -4.184 832 2HB LYS 102 1HB LYS 102 -11.461 4.086 -2.429 833 1HG LYS 102 2HG LYS 102 -13.086 2.563 -2.239 834 2HG LYS 102 1HG LYS 102 -14.192 3.515 -3.235 835 1HD LYS 102 2HD LYS 102 -12.529 2.658 -5.165 836 2HD LYS 102 1HD LYS 102 -12.325 1.329 -4.023 837 1HE LYS 102 2HE LYS 102 -15.015 1.567 -3.950 838 2HE LYS 102 1HE LYS 102 -14.719 2.122 -5.597 839 1HZ LYS 102 1HZ LYS 102 -13.355 0.080 -5.819 840 2HZ LYS 102 2HZ LYS 102 -14.929 -0.177 -5.692 841 3HZ LYS 102 3HZ LYS 102 -13.972 -0.438 -4.435 842 H PHE 103 H PHE 103 -11.841 5.591 -0.769 843 HA PHE 103 HA PHE 103 -14.485 5.446 0.549 844 1HB PHE 103 2HB PHE 103 -12.889 4.583 2.495 845 2HB PHE 103 1HB PHE 103 -13.392 3.482 1.207 846 HD1 PHE 103 HD1 PHE 103 -11.909 3.017 -0.701 847 HD2 PHE 103 HD2 PHE 103 -10.614 5.393 2.632 848 HE1 PHE 103 HE1 PHE 103 -9.576 2.827 -1.482 849 HE2 PHE 103 HE2 PHE 103 -8.265 5.196 1.860 850 HZ PHE 103 HZ PHE 103 -7.746 3.919 -0.202 851 H LYS 104 H LYS 104 -12.063 7.582 -0.137 852 HA LYS 104 HA LYS 104 -12.812 9.264 2.134 853 1HB LYS 104 2HB LYS 104 -9.957 8.460 1.507 854 2HB LYS 104 1HB LYS 104 -10.395 9.796 2.570 855 1HG LYS 104 2HG LYS 104 -11.348 8.361 4.180 856 2HG LYS 104 1HG LYS 104 -11.488 7.026 3.037 857 1HD LYS 104 2HD LYS 104 -9.607 6.347 4.192 858 2HD LYS 104 1HD LYS 104 -8.849 7.304 2.918 859 1HE LYS 104 2HE LYS 104 -9.628 9.049 5.064 860 2HE LYS 104 1HE LYS 104 -8.683 7.713 5.718 861 1HZ LYS 104 1HZ LYS 104 -7.052 9.082 5.037 862 2HZ LYS 104 2HZ LYS 104 -7.888 9.735 3.840 863 3HZ LYS 104 3HZ LYS 104 -7.240 8.283 3.663 864 H ARG 105 H ARG 105 -13.711 10.801 0.719 865 HA ARG 105 HA ARG 105 -11.858 11.869 -1.328 866 1HB ARG 105 2HB ARG 105 -14.322 10.855 -1.791 867 2HB ARG 105 1HB ARG 105 -14.750 12.532 -1.446 868 1HG ARG 105 2HG ARG 105 -13.085 13.285 -3.126 869 2HG ARG 105 1HG ARG 105 -12.724 11.599 -3.501 870 1HD ARG 105 2HD ARG 105 -15.420 11.561 -3.756 871 2HD ARG 105 1HD ARG 105 -15.096 13.231 -4.223 872 HE ARG 105 HE ARG 105 -13.257 11.792 -5.642 873 1HH1 ARG 105 1HH2 ARG 105 -16.678 11.686 -5.159 874 2HH1 ARG 105 2HH2 ARG 105 -17.009 11.064 -6.741 875 1HH2 ARG 105 1HH1 ARG 105 -13.682 10.982 -7.705 876 2HH2 ARG 105 2HH1 ARG 105 -15.317 10.666 -8.179 877 H LYS 106 H LYS 106 -14.575 12.925 0.764 878 HA LYS 106 HA LYS 106 -13.472 15.625 0.777 879 1HB LYS 106 2HB LYS 106 -15.481 16.195 2.043 880 2HB LYS 106 1HB LYS 106 -15.930 15.227 0.638 881 1HG LYS 106 2HG LYS 106 -15.521 13.250 2.440 882 2HG LYS 106 1HG LYS 106 -16.046 14.539 3.524 883 1HD LYS 106 2HD LYS 106 -18.121 14.791 2.396 884 2HD LYS 106 1HD LYS 106 -17.563 13.868 1.000 885 1HE LYS 106 2HE LYS 106 -17.368 12.348 3.490 886 2HE LYS 106 1HE LYS 106 -19.021 12.849 3.134 887 1HZ LYS 106 1HZ LYS 106 -19.030 11.192 1.710 888 2HZ LYS 106 2HZ LYS 106 -17.458 10.923 1.836 889 3HZ LYS 106 3HZ LYS 106 -18.003 12.000 0.786 890 H ALA 107 H ALA 107 -12.318 16.485 2.470 891 HA ALA 107 HA ALA 107 -11.527 14.643 4.590 892 1HB ALA 107 1HB ALA 107 -10.183 16.846 5.217 893 2HB ALA 107 2HB ALA 107 -10.574 17.284 3.554 894 3HB ALA 107 3HB ALA 107 -9.657 15.815 3.886 895 H ASN 108 H ASN 108 -13.898 17.023 4.086 896 HA ASN 108 HA ASN 108 -14.424 17.065 6.983 897 1HB ASN 108 2HB ASN 108 -13.427 19.275 5.512 898 2HB ASN 108 1HB ASN 108 -15.132 19.601 5.825 899 1HD2 ASN 108 1HD2 ASN 108 -14.435 21.288 7.403 900 2HD2 ASN 108 2HD2 ASN 108 -13.896 20.828 8.946 Start of MODEL 9 1 1H MET 1 1H MET 1 -20.366 -7.372 -14.232 2 2H MET 1 2H MET 1 -19.192 -7.417 -13.146 3 3H MET 1 3H MET 1 -20.230 -6.199 -13.151 4 HA MET 1 HA MET 1 -20.702 -7.736 -11.358 5 1HB MET 1 2HB MET 1 -22.710 -7.454 -13.610 6 2HB MET 1 1HB MET 1 -23.122 -8.102 -12.022 7 1HG MET 1 2HG MET 1 -21.995 -5.910 -11.128 8 2HG MET 1 1HG MET 1 -22.283 -5.313 -12.762 9 1HE MET 1 1HE MET 1 -24.944 -4.635 -13.648 10 2HE MET 1 2HE MET 1 -25.991 -6.009 -13.304 11 3HE MET 1 3HE MET 1 -24.365 -6.284 -13.922 12 H ALA 2 H ALA 2 -19.206 -9.586 -11.700 13 HA ALA 2 HA ALA 2 -20.677 -11.868 -12.868 14 1HB ALA 2 1HB ALA 2 -18.269 -12.714 -13.430 15 2HB ALA 2 2HB ALA 2 -17.833 -11.008 -13.331 16 3HB ALA 2 3HB ALA 2 -19.034 -11.544 -14.506 17 H THR 3 H THR 3 -17.481 -11.676 -11.322 18 HA THR 3 HA THR 3 -18.231 -13.792 -9.507 19 HB THR 3 HB THR 3 -15.944 -13.669 -10.367 20 HG1 THR 3 HG1 THR 3 -16.396 -14.362 -8.158 21 1HG2 THR 3 1HG2 THR 3 -16.207 -10.879 -9.398 22 2HG2 THR 3 2HG2 THR 3 -15.297 -11.515 -10.769 23 3HG2 THR 3 3HG2 THR 3 -14.638 -11.642 -9.138 24 H SER 4 H SER 4 -18.507 -13.582 -7.242 25 HA SER 4 HA SER 4 -19.423 -10.943 -6.414 26 1HB SER 4 2HB SER 4 -19.364 -13.088 -4.407 27 2HB SER 4 1HB SER 4 -20.704 -12.069 -4.924 28 HG SER 4 HG SER 4 -21.301 -13.586 -6.249 29 H SER 5 H SER 5 -16.798 -13.211 -5.685 30 HA SER 5 HA SER 5 -15.794 -12.010 -3.379 31 1HB SER 5 2HB SER 5 -13.627 -12.758 -5.116 32 2HB SER 5 1HB SER 5 -14.210 -13.575 -3.670 33 HG SER 5 HG SER 5 -14.878 -13.965 -6.365 34 H GLU 6 H GLU 6 -13.226 -11.070 -3.938 35 HA GLU 6 HA GLU 6 -13.754 -8.694 -5.609 36 1HB GLU 6 2HB GLU 6 -11.855 -8.711 -3.277 37 2HB GLU 6 1HB GLU 6 -12.524 -7.327 -4.130 38 1HG GLU 6 2HG GLU 6 -13.771 -7.417 -2.121 39 2HG GLU 6 1HG GLU 6 -14.816 -8.153 -3.336 40 H GLU 7 H GLU 7 -11.747 -7.969 -6.769 41 HA GLU 7 HA GLU 7 -9.904 -10.225 -7.116 42 1HB GLU 7 2HB GLU 7 -10.085 -7.807 -8.902 43 2HB GLU 7 1HB GLU 7 -9.559 -9.442 -9.303 44 1HG GLU 7 2HG GLU 7 -12.112 -9.934 -8.506 45 2HG GLU 7 1HG GLU 7 -12.296 -8.316 -9.184 46 H VAL 8 H VAL 8 -7.539 -9.507 -7.423 47 HA VAL 8 HA VAL 8 -7.004 -7.403 -5.454 48 HB VAL 8 HB VAL 8 -4.921 -8.440 -5.117 49 1HG1 VAL 8 1HG1 VAL 8 -5.796 -10.325 -4.257 50 2HG1 VAL 8 2HG1 VAL 8 -5.927 -11.033 -5.866 51 3HG1 VAL 8 3HG1 VAL 8 -7.246 -10.056 -5.223 52 1HG2 VAL 8 1HG2 VAL 8 -4.452 -10.383 -7.004 53 2HG2 VAL 8 2HG2 VAL 8 -3.754 -8.763 -7.049 54 3HG2 VAL 8 3HG2 VAL 8 -5.211 -9.122 -7.977 55 H LEU 9 H LEU 9 -5.418 -5.767 -5.940 56 HA LEU 9 HA LEU 9 -5.566 -5.018 -8.771 57 1HB LEU 9 2HB LEU 9 -6.385 -3.331 -7.316 58 2HB LEU 9 1HB LEU 9 -4.983 -3.459 -6.255 59 HG LEU 9 HG LEU 9 -3.529 -2.538 -7.948 60 1HD1 LEU 9 1HD1 LEU 9 -5.970 -2.756 -9.730 61 2HD1 LEU 9 2HD1 LEU 9 -4.424 -3.578 -9.931 62 3HD1 LEU 9 3HD1 LEU 9 -4.531 -1.834 -10.164 63 1HD2 LEU 9 1HD2 LEU 9 -4.325 -0.603 -7.059 64 2HD2 LEU 9 2HD2 LEU 9 -5.999 -1.151 -7.144 65 3HD2 LEU 9 3HD2 LEU 9 -5.226 -0.455 -8.568 66 H LEU 10 H LEU 10 -2.914 -4.964 -6.214 67 HA LEU 10 HA LEU 10 -1.141 -5.806 -8.378 68 1HB LEU 10 2HB LEU 10 -1.503 -3.041 -7.846 69 2HB LEU 10 1HB LEU 10 0.111 -3.485 -7.302 70 HG LEU 10 HG LEU 10 -0.226 -4.830 -9.741 71 1HD1 LEU 10 1HD1 LEU 10 -2.082 -2.770 -9.725 72 2HD1 LEU 10 2HD1 LEU 10 -1.411 -3.532 -11.167 73 3HD1 LEU 10 3HD1 LEU 10 -0.692 -2.049 -10.537 74 1HD2 LEU 10 1HD2 LEU 10 1.308 -2.726 -10.427 75 2HD2 LEU 10 2HD2 LEU 10 1.904 -4.026 -9.395 76 3HD2 LEU 10 3HD2 LEU 10 1.330 -2.521 -8.676 77 H ILE 11 H ILE 11 1.096 -6.073 -7.664 78 HA ILE 11 HA ILE 11 1.423 -6.286 -4.746 79 HB ILE 11 HB ILE 11 0.721 -8.500 -5.445 80 1HG1 ILE 11 2HG1 ILE 11 3.622 -8.065 -4.787 81 2HG1 ILE 11 1HG1 ILE 11 2.349 -8.741 -3.786 82 1HG2 ILE 11 1HG2 ILE 11 3.036 -8.580 -7.375 83 2HG2 ILE 11 2HG2 ILE 11 1.443 -8.017 -7.880 84 3HG2 ILE 11 3HG2 ILE 11 1.648 -9.664 -7.283 85 1HD1 ILE 11 1HD1 ILE 11 2.370 -10.592 -5.737 86 2HD1 ILE 11 2HD1 ILE 11 3.414 -10.701 -4.320 87 3HD1 ILE 11 3HD1 ILE 11 4.050 -10.064 -5.836 88 H VAL 12 H VAL 12 3.523 -5.973 -4.081 89 HA VAL 12 HA VAL 12 5.562 -5.584 -6.193 90 HB VAL 12 HB VAL 12 6.532 -3.918 -4.401 91 1HG1 VAL 12 1HG1 VAL 12 4.065 -2.971 -5.841 92 2HG1 VAL 12 2HG1 VAL 12 5.460 -3.538 -6.757 93 3HG1 VAL 12 3HG1 VAL 12 5.623 -2.162 -5.665 94 1HG2 VAL 12 1HG2 VAL 12 5.144 -3.204 -2.747 95 2HG2 VAL 12 2HG2 VAL 12 4.269 -4.701 -3.039 96 3HG2 VAL 12 3HG2 VAL 12 3.735 -3.207 -3.803 97 H LYS 13 H LYS 13 7.335 -6.902 -5.848 98 HA LYS 13 HA LYS 13 7.217 -8.847 -3.870 99 1HB LYS 13 2HB LYS 13 9.772 -9.063 -4.446 100 2HB LYS 13 1HB LYS 13 8.551 -9.484 -5.643 101 1HG LYS 13 2HG LYS 13 8.913 -7.565 -6.896 102 2HG LYS 13 1HG LYS 13 9.508 -6.649 -5.511 103 1HD LYS 13 2HD LYS 13 11.641 -7.267 -5.910 104 2HD LYS 13 1HD LYS 13 11.187 -8.963 -6.077 105 1HE LYS 13 2HE LYS 13 10.172 -7.595 -8.355 106 2HE LYS 13 1HE LYS 13 11.847 -7.087 -8.144 107 1HZ LYS 13 1HZ LYS 13 12.542 -9.106 -8.661 108 2HZ LYS 13 2HZ LYS 13 11.086 -9.371 -9.268 109 3HZ LYS 13 3HZ LYS 13 11.435 -9.862 -7.786 110 H LYS 14 H LYS 14 10.157 -6.814 -3.740 111 HA LYS 14 HA LYS 14 9.714 -7.130 -0.883 112 1HB LYS 14 2HB LYS 14 12.014 -7.160 -2.680 113 2HB LYS 14 1HB LYS 14 12.294 -6.262 -1.187 114 1HG LYS 14 2HG LYS 14 11.323 -9.125 -1.416 115 2HG LYS 14 1HG LYS 14 12.874 -8.579 -0.782 116 1HD LYS 14 2HD LYS 14 11.159 -7.134 0.768 117 2HD LYS 14 1HD LYS 14 10.221 -8.607 0.515 118 1HE LYS 14 2HE LYS 14 13.124 -8.737 1.319 119 2HE LYS 14 1HE LYS 14 11.853 -8.550 2.528 120 1HZ LYS 14 1HZ LYS 14 10.875 -10.520 1.187 121 2HZ LYS 14 2HZ LYS 14 11.941 -10.777 2.353 122 3HZ LYS 14 3HZ LYS 14 12.410 -10.795 0.823 123 H VAL 15 H VAL 15 8.592 -5.377 -0.133 124 HA VAL 15 HA VAL 15 9.546 -2.697 -0.668 125 HB VAL 15 HB VAL 15 7.099 -3.860 0.731 126 1HG1 VAL 15 1HG1 VAL 15 7.583 -1.660 1.640 127 2HG1 VAL 15 2HG1 VAL 15 6.205 -1.530 0.550 128 3HG1 VAL 15 3HG1 VAL 15 7.800 -0.998 0.019 129 1HG2 VAL 15 1HG2 VAL 15 6.397 -4.179 -1.385 130 2HG2 VAL 15 2HG2 VAL 15 7.753 -3.266 -2.051 131 3HG2 VAL 15 3HG2 VAL 15 6.303 -2.422 -1.503 132 H ARG 16 H ARG 16 9.495 -1.288 1.448 133 HA ARG 16 HA ARG 16 10.733 -2.822 3.641 134 1HB ARG 16 2HB ARG 16 12.427 -1.485 2.474 135 2HB ARG 16 1HB ARG 16 11.338 -0.117 2.367 136 1HG ARG 16 2HG ARG 16 12.438 0.593 4.220 137 2HG ARG 16 1HG ARG 16 11.350 -0.504 5.055 138 1HD ARG 16 2HD ARG 16 14.247 -0.656 4.700 139 2HD ARG 16 1HD ARG 16 13.223 -1.505 5.857 140 HE ARG 16 HE ARG 16 12.746 -2.875 3.571 141 1HH1 ARG 16 1HH2 ARG 16 15.569 -1.803 5.268 142 2HH1 ARG 16 2HH2 ARG 16 16.563 -3.091 4.680 143 1HH2 ARG 16 1HH1 ARG 16 14.055 -4.547 2.792 144 2HH2 ARG 16 2HH1 ARG 16 15.711 -4.639 3.289 145 H GLN 17 H GLN 17 9.845 -2.315 5.607 146 HA GLN 17 HA GLN 17 8.250 0.126 5.754 147 1HB GLN 17 2HB GLN 17 6.266 -0.914 6.448 148 2HB GLN 17 1HB GLN 17 6.814 -1.957 5.145 149 1HG GLN 17 2HG GLN 17 7.979 -3.316 6.974 150 2HG GLN 17 1HG GLN 17 6.991 -2.422 8.103 151 1HE2 GLN 17 1HE2 GLN 17 4.965 -3.304 8.522 152 2HE2 GLN 17 2HE2 GLN 17 4.159 -4.400 7.507 153 H LYS 18 H LYS 18 8.177 0.931 7.799 154 HA LYS 18 HA LYS 18 10.318 0.973 9.347 155 1HB LYS 18 2HB LYS 18 7.470 1.365 9.979 156 2HB LYS 18 1HB LYS 18 8.506 1.095 11.381 157 1HG LYS 18 2HG LYS 18 8.886 3.340 11.197 158 2HG LYS 18 1HG LYS 18 10.050 2.829 9.973 159 1HD LYS 18 2HD LYS 18 7.945 2.918 8.378 160 2HD LYS 18 1HD LYS 18 7.319 4.014 9.611 161 1HE LYS 18 2HE LYS 18 10.110 4.557 8.862 162 2HE LYS 18 1HE LYS 18 8.968 4.761 7.533 163 1HZ LYS 18 1HZ LYS 18 8.524 5.933 10.158 164 2HZ LYS 18 2HZ LYS 18 7.777 6.291 8.789 165 3HZ LYS 18 3HZ LYS 18 9.304 6.717 9.001 166 H LYS 19 H LYS 19 8.263 -1.884 9.296 167 HA LYS 19 HA LYS 19 9.704 -2.873 11.655 168 1HB LYS 19 2HB LYS 19 7.993 -4.486 11.916 169 2HB LYS 19 1HB LYS 19 7.128 -3.045 11.393 170 1HG LYS 19 2HG LYS 19 7.156 -3.920 9.050 171 2HG LYS 19 1HG LYS 19 7.944 -5.378 9.616 172 1HD LYS 19 2HD LYS 19 5.228 -4.401 10.517 173 2HD LYS 19 1HD LYS 19 5.510 -5.654 9.300 174 1HE LYS 19 2HE LYS 19 6.820 -5.940 11.986 175 2HE LYS 19 1HE LYS 19 5.101 -6.306 11.845 176 1HZ LYS 19 1HZ LYS 19 6.661 -7.423 9.776 177 2HZ LYS 19 2HZ LYS 19 5.569 -8.125 10.712 178 3HZ LYS 19 3HZ LYS 19 7.080 -7.978 11.218 179 H GLN 20 H GLN 20 8.824 -4.007 8.425 180 HA GLN 20 HA GLN 20 11.367 -5.413 8.175 181 1HB GLN 20 2HB GLN 20 8.935 -6.705 8.943 182 2HB GLN 20 1HB GLN 20 9.376 -7.236 7.320 183 1HG GLN 20 2HG GLN 20 11.703 -7.046 9.028 184 2HG GLN 20 1HG GLN 20 10.491 -8.130 9.721 185 1HE2 GLN 20 1HE2 GLN 20 13.128 -8.804 8.374 186 2HE2 GLN 20 2HE2 GLN 20 12.717 -9.866 7.116 187 H ASP 21 H ASP 21 11.516 -6.494 5.974 188 HA ASP 21 HA ASP 21 10.125 -4.746 4.055 189 1HB ASP 21 2HB ASP 21 12.049 -6.266 2.683 190 2HB ASP 21 1HB ASP 21 12.227 -4.575 3.135 191 H GLY 22 H GLY 22 8.775 -5.799 2.717 192 1HA GLY 22 2HA GLY 22 8.656 -8.661 2.505 193 2HA GLY 22 1HA GLY 22 7.370 -7.964 3.479 194 H ALA 23 H ALA 23 6.717 -9.135 0.913 195 HA ALA 23 HA ALA 23 6.644 -6.997 -0.988 196 1HB ALA 23 1HB ALA 23 5.383 -8.596 -2.331 197 2HB ALA 23 2HB ALA 23 5.115 -9.618 -0.921 198 3HB ALA 23 3HB ALA 23 6.739 -9.436 -1.580 199 H LEU 24 H LEU 24 4.929 -5.858 -1.580 200 HA LEU 24 HA LEU 24 2.763 -5.692 0.407 201 1HB LEU 24 2HB LEU 24 4.504 -3.788 -0.884 202 2HB LEU 24 1HB LEU 24 2.838 -3.421 -1.325 203 HG LEU 24 HG LEU 24 4.033 -3.653 1.430 204 1HD1 LEU 24 1HD1 LEU 24 3.104 -1.517 -0.403 205 2HD1 LEU 24 2HD1 LEU 24 4.294 -1.442 0.894 206 3HD1 LEU 24 3HD1 LEU 24 2.573 -1.338 1.268 207 1HD2 LEU 24 1HD2 LEU 24 1.959 -4.695 1.776 208 2HD2 LEU 24 2HD2 LEU 24 1.169 -3.769 0.499 209 3HD2 LEU 24 3HD2 LEU 24 1.553 -2.999 2.039 210 H TYR 25 H TYR 25 0.820 -6.343 -0.241 211 HA TYR 25 HA TYR 25 0.231 -6.655 -3.130 212 1HB TYR 25 2HB TYR 25 -0.440 -8.131 -0.628 213 2HB TYR 25 1HB TYR 25 -1.745 -7.965 -1.796 214 HD1 TYR 25 HD1 TYR 25 1.634 -9.327 -1.210 215 HD2 TYR 25 HD2 TYR 25 -1.694 -9.099 -3.906 216 HE1 TYR 25 HE1 TYR 25 2.558 -11.224 -2.498 217 HE2 TYR 25 HE2 TYR 25 -0.770 -11.001 -5.208 218 HH TYR 25 HH TYR 25 0.747 -12.880 -4.890 219 H LEU 26 H LEU 26 -1.664 -5.346 -3.895 220 HA LEU 26 HA LEU 26 -3.012 -3.992 -1.666 221 1HB LEU 26 2HB LEU 26 -1.850 -2.309 -2.877 222 2HB LEU 26 1HB LEU 26 -2.181 -3.082 -4.426 223 HG LEU 26 HG LEU 26 -4.624 -2.617 -4.059 224 1HD1 LEU 26 1HD1 LEU 26 -4.044 -2.281 -1.477 225 2HD1 LEU 26 2HD1 LEU 26 -5.391 -1.426 -2.229 226 3HD1 LEU 26 3HD1 LEU 26 -3.850 -0.604 -1.987 227 1HD2 LEU 26 1HD2 LEU 26 -4.449 -0.482 -4.970 228 2HD2 LEU 26 2HD2 LEU 26 -2.810 -1.079 -5.223 229 3HD2 LEU 26 3HD2 LEU 26 -3.158 -0.007 -3.866 230 H MET 27 H MET 27 -5.234 -4.209 -1.691 231 HA MET 27 HA MET 27 -6.412 -5.677 -3.974 232 1HB MET 27 2HB MET 27 -6.430 -7.133 -2.042 233 2HB MET 27 1HB MET 27 -6.998 -5.830 -1.007 234 1HG MET 27 2HG MET 27 -9.174 -6.040 -1.689 235 2HG MET 27 1HG MET 27 -8.707 -6.415 -3.351 236 1HE MET 27 1HE MET 27 -6.498 -9.060 -2.445 237 2HE MET 27 2HE MET 27 -7.255 -8.339 -3.863 238 3HE MET 27 3HE MET 27 -7.660 -9.989 -3.401 239 H ALA 28 H ALA 28 -8.623 -4.998 -4.442 240 HA ALA 28 HA ALA 28 -9.087 -2.381 -4.756 241 1HB ALA 28 1HB ALA 28 -10.755 -3.661 -5.695 242 2HB ALA 28 2HB ALA 28 -11.613 -3.059 -4.277 243 3HB ALA 28 3HB ALA 28 -10.922 -4.682 -4.267 244 H GLU 29 H GLU 29 -10.319 -4.081 -1.737 245 HA GLU 29 HA GLU 29 -10.558 -1.387 -0.614 246 1HB GLU 29 2HB GLU 29 -12.572 -2.721 -0.673 247 2HB GLU 29 1HB GLU 29 -11.718 -4.087 0.052 248 1HG GLU 29 2HG GLU 29 -12.045 -3.283 2.141 249 2HG GLU 29 1HG GLU 29 -11.484 -1.675 1.691 250 H ARG 30 H ARG 30 -8.095 -3.602 -0.572 251 HA ARG 30 HA ARG 30 -7.403 -2.684 2.098 252 1HB ARG 30 2HB ARG 30 -7.417 -4.656 3.262 253 2HB ARG 30 1HB ARG 30 -8.827 -4.874 2.246 254 1HG ARG 30 2HG ARG 30 -6.635 -5.834 0.756 255 2HG ARG 30 1HG ARG 30 -6.410 -6.434 2.398 256 1HD ARG 30 2HD ARG 30 -7.838 -7.936 0.949 257 2HD ARG 30 1HD ARG 30 -8.624 -7.397 2.428 258 HE ARG 30 HE ARG 30 -9.208 -5.519 0.426 259 1HH1 ARG 30 1HH2 ARG 30 -9.674 -8.873 1.110 260 2HH1 ARG 30 2HH2 ARG 30 -11.143 -8.986 0.201 261 1HH2 ARG 30 1HH1 ARG 30 -11.122 -5.658 -0.764 262 2HH2 ARG 30 2HH1 ARG 30 -11.962 -7.169 -0.857 263 H ILE 31 H ILE 31 -5.298 -3.430 2.826 264 HA ILE 31 HA ILE 31 -3.492 -3.800 0.502 265 HB ILE 31 HB ILE 31 -3.507 -1.863 2.726 266 1HG1 ILE 31 2HG1 ILE 31 -3.547 -1.398 0.256 267 2HG1 ILE 31 1HG1 ILE 31 -2.252 -0.566 1.118 268 1HG2 ILE 31 1HG2 ILE 31 -1.658 -3.489 3.434 269 2HG2 ILE 31 2HG2 ILE 31 -1.138 -1.830 3.156 270 3HG2 ILE 31 3HG2 ILE 31 -0.830 -3.065 1.937 271 1HD1 ILE 31 1HD1 ILE 31 -1.925 -3.192 -0.363 272 2HD1 ILE 31 2HD1 ILE 31 -0.644 -2.267 0.420 273 3HD1 ILE 31 3HD1 ILE 31 -1.461 -1.615 -1.001 274 H ALA 32 H ALA 32 -2.321 -5.658 0.550 275 HA ALA 32 HA ALA 32 -2.180 -7.115 3.115 276 1HB ALA 32 1HB ALA 32 -3.017 -8.811 1.890 277 2HB ALA 32 2HB ALA 32 -1.457 -8.862 1.069 278 3HB ALA 32 3HB ALA 32 -2.781 -7.917 0.387 279 H TRP 33 H TRP 33 -0.188 -8.143 3.690 280 HA TRP 33 HA TRP 33 2.150 -7.182 2.163 281 1HB TRP 33 2HB TRP 33 1.786 -5.707 4.106 282 2HB TRP 33 1HB TRP 33 1.761 -7.117 5.164 283 HD1 TRP 33 HD1 TRP 33 4.147 -6.049 2.326 284 HE1 TRP 33 HE1 TRP 33 6.531 -6.129 3.280 285 HE3 TRP 33 HE3 TRP 33 3.277 -7.644 7.106 286 HZ2 TRP 33 HZ2 TRP 33 7.909 -6.735 5.580 287 HZ3 TRP 33 HZ3 TRP 33 5.190 -8.024 8.625 288 HH2 TRP 33 HH2 TRP 33 7.521 -7.593 7.848 289 H ALA 34 H ALA 34 3.793 -8.698 2.103 290 HA ALA 34 HA ALA 34 3.666 -10.984 3.910 291 1HB ALA 34 1HB ALA 34 2.357 -11.218 1.559 292 2HB ALA 34 2HB ALA 34 3.104 -12.569 2.412 293 3HB ALA 34 3HB ALA 34 3.965 -11.774 1.093 294 HA PRO 35 HA PRO 35 7.949 -10.594 2.897 295 1HB PRO 35 2HB PRO 35 8.687 -11.725 5.435 296 2HB PRO 35 1HB PRO 35 8.769 -10.028 4.942 297 1HG PRO 35 2HG PRO 35 6.933 -11.217 6.798 298 2HG PRO 35 1HG PRO 35 6.988 -9.533 6.260 299 1HD PRO 35 2HD PRO 35 5.067 -11.572 5.551 300 2HD PRO 35 1HD PRO 35 5.076 -9.864 5.079 301 H GLU 36 H GLU 36 7.099 -13.389 4.983 302 HA GLU 36 HA GLU 36 7.757 -15.232 2.834 303 1HB GLU 36 2HB GLU 36 9.573 -14.667 5.116 304 2HB GLU 36 1HB GLU 36 9.303 -16.369 4.743 305 1HG GLU 36 2HG GLU 36 10.445 -16.248 2.781 306 2HG GLU 36 1HG GLU 36 9.772 -14.667 2.380 307 H GLY 37 H GLY 37 5.545 -15.902 3.163 308 1HA GLY 37 2HA GLY 37 5.244 -17.629 5.525 309 2HA GLY 37 1HA GLY 37 4.007 -16.408 5.224 310 H LYS 38 H LYS 38 2.516 -18.272 5.000 311 HA LYS 38 HA LYS 38 2.775 -19.544 2.339 312 1HB LYS 38 2HB LYS 38 1.107 -21.230 3.491 313 2HB LYS 38 1HB LYS 38 2.841 -21.367 3.785 314 1HG LYS 38 2HG LYS 38 2.689 -20.407 5.917 315 2HG LYS 38 1HG LYS 38 1.149 -19.625 5.560 316 1HD LYS 38 2HD LYS 38 -0.004 -21.761 5.585 317 2HD LYS 38 1HD LYS 38 1.523 -22.626 5.765 318 1HE LYS 38 2HE LYS 38 1.382 -20.650 7.825 319 2HE LYS 38 1HE LYS 38 -0.139 -21.542 7.821 320 1HZ LYS 38 1HZ LYS 38 1.486 -22.645 9.151 321 2HZ LYS 38 2HZ LYS 38 2.524 -22.727 7.935 322 3HZ LYS 38 3HZ LYS 38 1.157 -23.558 7.878 323 H ASP 39 H ASP 39 0.822 -17.594 4.416 324 HA ASP 39 HA ASP 39 -1.598 -18.013 2.943 325 1HB ASP 39 2HB ASP 39 -0.660 -15.909 4.911 326 2HB ASP 39 1HB ASP 39 -2.232 -15.821 4.115 327 H ARG 40 H ARG 40 -2.471 -16.311 1.555 328 HA ARG 40 HA ARG 40 -0.939 -15.580 -0.566 329 1HB ARG 40 2HB ARG 40 -3.061 -13.750 0.544 330 2HB ARG 40 1HB ARG 40 -2.586 -13.946 -1.138 331 1HG ARG 40 2HG ARG 40 -3.250 -16.480 -0.672 332 2HG ARG 40 1HG ARG 40 -4.254 -15.739 0.575 333 1HD ARG 40 2HD ARG 40 -5.724 -14.993 -0.954 334 2HD ARG 40 1HD ARG 40 -4.444 -14.259 -1.916 335 HE ARG 40 HE ARG 40 -5.836 -16.596 -2.572 336 1HH1 ARG 40 1HH2 ARG 40 -2.565 -15.487 -2.293 337 2HH1 ARG 40 2HH2 ARG 40 -1.923 -16.784 -3.237 338 1HH2 ARG 40 1HH1 ARG 40 -4.998 -18.261 -3.819 339 2HH2 ARG 40 2HH1 ARG 40 -3.292 -18.341 -4.107 340 H PHE 41 H PHE 41 -1.175 -14.071 2.490 341 HA PHE 41 HA PHE 41 1.295 -12.685 2.020 342 1HB PHE 41 2HB PHE 41 -0.422 -10.669 3.110 343 2HB PHE 41 1HB PHE 41 0.549 -10.606 1.644 344 HD1 PHE 41 HD1 PHE 41 -0.413 -11.282 -0.535 345 HD2 PHE 41 HD2 PHE 41 -2.768 -11.154 3.054 346 HE1 PHE 41 HE1 PHE 41 -2.483 -11.338 -1.901 347 HE2 PHE 41 HE2 PHE 41 -4.846 -11.221 1.690 348 HZ PHE 41 HZ PHE 41 -4.701 -11.312 -0.787 349 H THR 42 H THR 42 1.240 -10.957 4.164 350 HA THR 42 HA THR 42 1.072 -12.860 6.397 351 HB THR 42 HB THR 42 3.250 -11.602 5.655 352 HG1 THR 42 HG1 THR 42 2.274 -11.651 8.316 353 1HG2 THR 42 1HG2 THR 42 2.680 -9.455 7.519 354 2HG2 THR 42 2HG2 THR 42 1.643 -9.385 6.102 355 3HG2 THR 42 3HG2 THR 42 3.387 -9.393 5.906 356 H ILE 43 H ILE 43 -0.017 -9.688 5.301 357 HA ILE 43 HA ILE 43 -2.072 -9.784 7.387 358 HB ILE 43 HB ILE 43 -1.295 -8.125 8.677 359 1HG1 ILE 43 2HG1 ILE 43 -2.261 -6.488 7.073 360 2HG1 ILE 43 1HG1 ILE 43 -0.812 -5.869 7.857 361 1HG2 ILE 43 1HG2 ILE 43 1.004 -7.563 8.627 362 2HG2 ILE 43 2HG2 ILE 43 1.112 -7.830 6.889 363 3HG2 ILE 43 3HG2 ILE 43 0.893 -9.199 7.982 364 1HD1 ILE 43 1HD1 ILE 43 -0.171 -7.322 5.413 365 2HD1 ILE 43 2HD1 ILE 43 0.278 -5.680 5.887 366 3HD1 ILE 43 3HD1 ILE 43 -1.274 -5.982 5.106 367 H SER 44 H SER 44 -3.700 -7.979 7.024 368 HA SER 44 HA SER 44 -3.812 -6.880 4.344 369 1HB SER 44 2HB SER 44 -6.134 -8.016 4.056 370 2HB SER 44 1HB SER 44 -4.695 -8.969 3.704 371 HG SER 44 HG SER 44 -6.056 -8.908 6.198 372 H HIS 45 H HIS 45 -4.618 -4.851 4.744 373 HA HIS 45 HA HIS 45 -6.526 -4.604 6.997 374 1HB HIS 45 2HB HIS 45 -5.448 -2.080 6.151 375 2HB HIS 45 1HB HIS 45 -5.365 -2.833 7.743 376 HD1 HIS 45 HD1 HIS 45 -3.057 -3.499 8.470 377 HD2 HIS 45 HD2 HIS 45 -3.374 -3.179 4.336 378 HE1 HIS 45 HE1 HIS 45 -0.726 -3.882 7.549 379 H MET 46 H MET 46 -8.474 -4.091 6.454 380 HA MET 46 HA MET 46 -9.252 -3.490 3.759 381 1HB MET 46 2HB MET 46 -10.605 -3.921 6.330 382 2HB MET 46 1HB MET 46 -11.379 -2.675 5.351 383 1HG MET 46 2HG MET 46 -12.098 -4.172 3.805 384 2HG MET 46 1HG MET 46 -10.570 -5.053 3.819 385 1HE MET 46 1HE MET 46 -12.104 -8.043 4.399 386 2HE MET 46 2HE MET 46 -12.001 -6.735 3.223 387 3HE MET 46 3HE MET 46 -13.545 -7.101 3.990 388 H TYR 47 H TYR 47 -8.624 -1.568 2.892 389 HA TYR 47 HA TYR 47 -7.720 0.669 4.107 390 1HB TYR 47 2HB TYR 47 -9.277 0.268 1.572 391 2HB TYR 47 1HB TYR 47 -8.957 1.907 2.128 392 HD1 TYR 47 HD1 TYR 47 -6.170 1.097 3.456 393 HD2 TYR 47 HD2 TYR 47 -7.898 0.491 -0.443 394 HE1 TYR 47 HE1 TYR 47 -3.919 1.046 2.455 395 HE2 TYR 47 HE2 TYR 47 -5.644 0.432 -1.418 396 HH TYR 47 HH TYR 47 -2.804 1.265 0.431 397 H ALA 48 H ALA 48 -11.175 -0.105 3.627 398 HA ALA 48 HA ALA 48 -12.075 2.364 4.796 399 1HB ALA 48 1HB ALA 48 -13.286 -0.225 3.997 400 2HB ALA 48 2HB ALA 48 -13.877 1.417 3.744 401 3HB ALA 48 3HB ALA 48 -14.109 0.626 5.303 402 H ASP 49 H ASP 49 -11.606 -0.884 5.952 403 HA ASP 49 HA ASP 49 -12.377 -0.701 8.606 404 1HB ASP 49 2HB ASP 49 -10.240 -2.255 7.225 405 2HB ASP 49 1HB ASP 49 -10.130 -2.140 8.980 406 H ILE 50 H ILE 50 -9.659 0.648 6.994 407 HA ILE 50 HA ILE 50 -8.851 1.874 9.547 408 HB ILE 50 HB ILE 50 -6.708 2.228 8.350 409 1HG1 ILE 50 2HG1 ILE 50 -6.456 0.720 6.255 410 2HG1 ILE 50 1HG1 ILE 50 -8.197 0.875 6.126 411 1HG2 ILE 50 1HG2 ILE 50 -7.772 -0.594 8.387 412 2HG2 ILE 50 2HG2 ILE 50 -7.017 0.256 9.733 413 3HG2 ILE 50 3HG2 ILE 50 -6.062 -0.167 8.312 414 1HD1 ILE 50 1HD1 ILE 50 -6.394 3.279 6.409 415 2HD1 ILE 50 2HD1 ILE 50 -8.065 3.243 5.861 416 3HD1 ILE 50 3HD1 ILE 50 -6.795 2.588 4.839 417 H LYS 51 H LYS 51 -8.151 4.260 9.348 418 HA LYS 51 HA LYS 51 -9.108 5.447 6.876 419 1HB LYS 51 2HB LYS 51 -11.027 5.401 8.593 420 2HB LYS 51 1HB LYS 51 -10.114 6.669 9.416 421 1HG LYS 51 2HG LYS 51 -10.794 6.755 6.469 422 2HG LYS 51 1HG LYS 51 -11.774 7.545 7.710 423 1HD LYS 51 2HD LYS 51 -9.529 8.653 8.438 424 2HD LYS 51 1HD LYS 51 -8.944 8.159 6.846 425 1HE LYS 51 2HE LYS 51 -9.787 10.263 6.343 426 2HE LYS 51 1HE LYS 51 -11.214 9.273 6.035 427 1HZ LYS 51 1HZ LYS 51 -10.658 10.613 8.565 428 2HZ LYS 51 2HZ LYS 51 -11.987 9.799 8.200 429 3HZ LYS 51 3HZ LYS 51 -11.661 11.174 7.450 430 H CYS 52 H CYS 52 -7.260 6.306 6.374 431 HA CYS 52 HA CYS 52 -6.446 8.744 7.289 432 1HB CYS 52 2HB CYS 52 -5.403 6.539 8.852 433 2HB CYS 52 1HB CYS 52 -4.132 7.561 8.195 434 HG CYS 52 HG CYS 52 -4.897 8.683 10.427 435 H GLN 53 H GLN 53 -5.360 9.471 5.533 436 HA GLN 53 HA GLN 53 -3.656 7.508 4.130 437 1HB GLN 53 2HB GLN 53 -5.861 9.153 2.866 438 2HB GLN 53 1HB GLN 53 -4.653 8.253 1.954 439 1HG GLN 53 2HG GLN 53 -6.456 6.754 2.066 440 2HG GLN 53 1HG GLN 53 -5.423 6.213 3.382 441 1HE2 GLN 53 1HE2 GLN 53 -7.983 5.461 3.744 442 2HE2 GLN 53 2HE2 GLN 53 -8.795 6.455 4.856 443 H LYS 54 H LYS 54 -1.782 8.324 3.585 444 HA LYS 54 HA LYS 54 -1.491 11.142 2.859 445 1HB LYS 54 2HB LYS 54 -0.908 11.494 5.075 446 2HB LYS 54 1HB LYS 54 -0.425 9.816 5.320 447 1HG LYS 54 2HG LYS 54 1.720 10.185 4.600 448 2HG LYS 54 1HG LYS 54 1.230 11.407 3.424 449 1HD LYS 54 2HD LYS 54 0.580 12.673 5.743 450 2HD LYS 54 1HD LYS 54 1.966 11.721 6.276 451 1HE LYS 54 2HE LYS 54 1.867 13.739 4.025 452 2HE LYS 54 1HE LYS 54 2.858 13.795 5.483 453 1HZ LYS 54 1HZ LYS 54 3.249 12.275 3.095 454 2HZ LYS 54 2HZ LYS 54 3.618 11.522 4.458 455 3HZ LYS 54 3HZ LYS 54 4.335 12.904 4.089 456 H ILE 55 H ILE 55 -0.489 10.917 0.882 457 HA ILE 55 HA ILE 55 1.840 9.117 0.750 458 HB ILE 55 HB ILE 55 0.718 8.797 -1.745 459 1HG1 ILE 55 2HG1 ILE 55 -1.632 8.026 -1.238 460 2HG1 ILE 55 1HG1 ILE 55 -1.484 8.799 0.339 461 1HG2 ILE 55 1HG2 ILE 55 1.715 7.176 0.083 462 2HG2 ILE 55 2HG2 ILE 55 0.653 6.551 -1.179 463 3HG2 ILE 55 3HG2 ILE 55 0.014 6.868 0.434 464 1HD1 ILE 55 1HD1 ILE 55 -0.875 10.939 -0.900 465 2HD1 ILE 55 2HD1 ILE 55 -2.544 10.405 -1.089 466 3HD1 ILE 55 3HD1 ILE 55 -1.376 10.123 -2.379 467 H SER 56 H SER 56 3.320 10.743 0.447 468 HA SER 56 HA SER 56 2.820 12.504 -1.879 469 1HB SER 56 2HB SER 56 3.184 13.310 0.731 470 2HB SER 56 1HB SER 56 4.804 13.454 0.056 471 HG SER 56 HG SER 56 3.625 14.526 -1.769 472 HA PRO 57 HA PRO 57 7.050 10.341 -1.810 473 1HB PRO 57 2HB PRO 57 6.489 8.088 -3.475 474 2HB PRO 57 1HB PRO 57 7.001 8.141 -1.786 475 1HG PRO 57 2HG PRO 57 4.366 7.522 -2.813 476 2HG PRO 57 1HG PRO 57 4.961 7.355 -1.178 477 1HD PRO 57 2HD PRO 57 3.153 9.346 -2.107 478 2HD PRO 57 1HD PRO 57 3.912 9.250 -0.513 479 H GLU 58 H GLU 58 4.720 11.411 -3.967 480 HA GLU 58 HA GLU 58 6.067 11.046 -6.428 481 1HB GLU 58 2HB GLU 58 3.806 11.823 -6.511 482 2HB GLU 58 1HB GLU 58 4.153 13.161 -5.415 483 1HG GLU 58 2HG GLU 58 4.013 13.984 -7.721 484 2HG GLU 58 1HG GLU 58 5.665 14.143 -7.123 485 H GLY 59 H GLY 59 6.896 12.822 -3.615 486 1HA GLY 59 2HA GLY 59 9.105 14.046 -5.073 487 2HA GLY 59 1HA GLY 59 8.078 15.113 -4.111 488 H LYS 60 H LYS 60 8.505 11.838 -2.971 489 HA LYS 60 HA LYS 60 10.016 12.971 -0.706 490 1HB LYS 60 2HB LYS 60 8.548 10.322 -0.892 491 2HB LYS 60 1HB LYS 60 9.216 11.061 0.565 492 1HG LYS 60 2HG LYS 60 7.438 12.862 -0.903 493 2HG LYS 60 1HG LYS 60 6.634 11.404 -0.317 494 1HD LYS 60 2HD LYS 60 6.476 12.522 1.652 495 2HD LYS 60 1HD LYS 60 8.179 12.105 1.844 496 1HE LYS 60 2HE LYS 60 8.898 14.227 1.339 497 2HE LYS 60 1HE LYS 60 7.569 14.523 0.218 498 1HZ LYS 60 1HZ LYS 60 6.881 14.230 2.980 499 2HZ LYS 60 2HZ LYS 60 6.271 15.220 1.880 500 3HZ LYS 60 3HZ LYS 60 7.658 15.576 2.594 501 H ALA 61 H ALA 61 11.085 10.881 0.429 502 HA ALA 61 HA ALA 61 13.584 10.494 -0.532 503 1HB ALA 61 1HB ALA 61 13.803 8.764 0.982 504 2HB ALA 61 2HB ALA 61 12.251 8.048 0.546 505 3HB ALA 61 3HB ALA 61 12.303 9.478 1.576 506 H LYS 62 H LYS 62 11.132 7.908 -1.052 507 HA LYS 62 HA LYS 62 11.637 7.865 -3.851 508 1HB LYS 62 2HB LYS 62 12.507 5.366 -3.610 509 2HB LYS 62 1HB LYS 62 13.633 6.700 -3.679 510 1HG LYS 62 2HG LYS 62 12.489 5.899 -1.021 511 2HG LYS 62 1HG LYS 62 13.752 4.892 -1.728 512 1HD LYS 62 2HD LYS 62 14.533 7.637 -1.968 513 2HD LYS 62 1HD LYS 62 14.048 7.328 -0.299 514 1HE LYS 62 2HE LYS 62 15.779 5.882 0.075 515 2HE LYS 62 1HE LYS 62 15.725 5.234 -1.564 516 1HZ LYS 62 1HZ LYS 62 17.666 6.485 -1.381 517 2HZ LYS 62 2HZ LYS 62 16.936 7.734 -0.699 518 3HZ LYS 62 3HZ LYS 62 16.673 7.400 -2.241 519 H ILE 63 H ILE 63 9.252 7.646 -1.939 520 HA ILE 63 HA ILE 63 7.286 6.631 -2.669 521 HB ILE 63 HB ILE 63 8.319 5.258 -4.367 522 1HG1 ILE 63 2HG1 ILE 63 6.873 3.093 -3.522 523 2HG1 ILE 63 1HG1 ILE 63 6.179 4.394 -2.544 524 1HG2 ILE 63 1HG2 ILE 63 8.580 2.901 -2.686 525 2HG2 ILE 63 2HG2 ILE 63 9.724 4.127 -2.189 526 3HG2 ILE 63 3HG2 ILE 63 9.727 3.521 -3.855 527 1HD1 ILE 63 1HD1 ILE 63 6.461 4.354 -5.557 528 2HD1 ILE 63 2HD1 ILE 63 5.895 5.743 -4.631 529 3HD1 ILE 63 3HD1 ILE 63 4.955 4.249 -4.645 530 H GLN 64 H GLN 64 6.918 7.152 -0.486 531 HA GLN 64 HA GLN 64 6.744 4.747 1.210 532 1HB GLN 64 2HB GLN 64 6.949 6.842 3.014 533 2HB GLN 64 1HB GLN 64 8.242 5.712 2.624 534 1HG GLN 64 2HG GLN 64 8.990 7.237 0.804 535 2HG GLN 64 1HG GLN 64 7.737 8.384 1.278 536 1HE2 GLN 64 1HE2 GLN 64 9.740 6.410 3.498 537 2HE2 GLN 64 2HE2 GLN 64 10.498 7.733 4.243 538 H LEU 65 H LEU 65 4.718 4.616 2.260 539 HA LEU 65 HA LEU 65 2.973 6.957 1.862 540 1HB LEU 65 2HB LEU 65 1.103 5.533 1.223 541 2HB LEU 65 1HB LEU 65 2.457 5.256 0.143 542 HG LEU 65 HG LEU 65 1.383 3.153 0.752 543 1HD1 LEU 65 1HD1 LEU 65 3.345 2.039 0.859 544 2HD1 LEU 65 2HD1 LEU 65 3.840 2.860 2.338 545 3HD1 LEU 65 3HD1 LEU 65 4.065 3.646 0.777 546 1HD2 LEU 65 1HD2 LEU 65 0.910 2.460 2.883 547 2HD2 LEU 65 2HD2 LEU 65 0.837 4.201 3.156 548 3HD2 LEU 65 3HD2 LEU 65 2.294 3.302 3.579 549 H GLN 66 H GLN 66 1.061 6.933 3.367 550 HA GLN 66 HA GLN 66 1.535 5.350 5.804 551 1HB GLN 66 2HB GLN 66 2.182 8.129 5.499 552 2HB GLN 66 1HB GLN 66 0.851 7.969 6.645 553 1HG GLN 66 2HG GLN 66 2.094 6.547 8.070 554 2HG GLN 66 1HG GLN 66 3.293 6.205 6.822 555 1HE2 GLN 66 1HE2 GLN 66 2.578 8.252 9.488 556 2HE2 GLN 66 2HE2 GLN 66 3.819 9.383 9.244 557 H LEU 67 H LEU 67 -0.334 4.455 6.329 558 HA LEU 67 HA LEU 67 -2.860 5.951 5.885 559 1HB LEU 67 2HB LEU 67 -2.654 4.175 4.223 560 2HB LEU 67 1HB LEU 67 -2.210 3.012 5.469 561 HG LEU 67 HG LEU 67 -4.626 4.051 6.369 562 1HD1 LEU 67 1HD1 LEU 67 -5.447 3.202 3.713 563 2HD1 LEU 67 2HD1 LEU 67 -4.451 4.654 3.637 564 3HD1 LEU 67 3HD1 LEU 67 -5.919 4.642 4.615 565 1HD2 LEU 67 1HD2 LEU 67 -3.457 1.585 5.641 566 2HD2 LEU 67 2HD2 LEU 67 -4.996 1.662 4.785 567 3HD2 LEU 67 3HD2 LEU 67 -4.955 1.827 6.540 568 H VAL 68 H VAL 68 -4.470 5.518 7.602 569 HA VAL 68 HA VAL 68 -3.260 4.020 9.824 570 HB VAL 68 HB VAL 68 -4.810 6.506 10.441 571 1HG1 VAL 68 1HG1 VAL 68 -2.856 4.693 11.848 572 2HG1 VAL 68 2HG1 VAL 68 -4.520 5.066 12.315 573 3HG1 VAL 68 3HG1 VAL 68 -3.262 6.290 12.469 574 1HG2 VAL 68 1HG2 VAL 68 -2.507 6.606 8.989 575 2HG2 VAL 68 2HG2 VAL 68 -1.870 6.521 10.631 576 3HG2 VAL 68 3HG2 VAL 68 -2.962 7.829 10.176 577 H LEU 69 H LEU 69 -4.583 3.299 11.385 578 HA LEU 69 HA LEU 69 -7.070 2.223 10.342 579 1HB LEU 69 2HB LEU 69 -5.595 1.737 12.946 580 2HB LEU 69 1HB LEU 69 -6.791 0.676 12.241 581 HG LEU 69 HG LEU 69 -3.955 0.679 11.835 582 1HD1 LEU 69 1HD1 LEU 69 -4.627 -1.447 11.667 583 2HD1 LEU 69 2HD1 LEU 69 -4.910 -1.072 9.966 584 3HD1 LEU 69 3HD1 LEU 69 -6.244 -0.987 11.129 585 1HD2 LEU 69 1HD2 LEU 69 -5.469 1.634 9.456 586 2HD2 LEU 69 2HD2 LEU 69 -4.146 0.502 9.223 587 3HD2 LEU 69 3HD2 LEU 69 -3.850 2.058 9.998 588 H HIS 70 H HIS 70 -9.137 2.597 11.368 589 HA HIS 70 HA HIS 70 -9.699 5.046 12.542 590 1HB HIS 70 2HB HIS 70 -10.973 2.343 13.123 591 2HB HIS 70 1HB HIS 70 -11.641 3.878 13.665 592 HD1 HIS 70 HD1 HIS 70 -11.979 5.668 11.503 593 HD2 HIS 70 HD2 HIS 70 -12.021 1.589 10.706 594 HE1 HIS 70 HE1 HIS 70 -13.147 5.365 9.271 595 H ALA 71 H ALA 71 -8.415 2.125 13.799 596 HA ALA 71 HA ALA 71 -8.395 2.881 16.580 597 1HB ALA 71 1HB ALA 71 -8.276 0.490 15.521 598 2HB ALA 71 2HB ALA 71 -7.317 0.832 16.961 599 3HB ALA 71 3HB ALA 71 -6.552 0.830 15.372 600 H GLY 72 H GLY 72 -5.624 2.117 17.068 601 1HA GLY 72 2HA GLY 72 -4.341 4.615 16.179 602 2HA GLY 72 1HA GLY 72 -3.978 3.768 17.684 603 H ASP 73 H ASP 73 -4.294 2.708 14.395 604 HA ASP 73 HA ASP 73 -1.508 1.695 14.543 605 1HB ASP 73 2HB ASP 73 -4.024 0.281 13.738 606 2HB ASP 73 1HB ASP 73 -2.511 -0.153 12.942 607 H THR 74 H THR 74 -0.271 2.391 12.908 608 HA THR 74 HA THR 74 -1.668 3.618 10.637 609 HB THR 74 HB THR 74 1.201 4.053 11.459 610 HG1 THR 74 HG1 THR 74 -0.315 4.629 13.127 611 1HG2 THR 74 1HG2 THR 74 0.871 4.833 9.264 612 2HG2 THR 74 2HG2 THR 74 0.627 6.274 10.250 613 3HG2 THR 74 3HG2 THR 74 -0.763 5.395 9.613 614 H THR 75 H THR 75 -0.583 3.312 8.515 615 HA THR 75 HA THR 75 0.867 0.752 8.456 616 HB THR 75 HB THR 75 -0.632 1.769 6.074 617 HG1 THR 75 HG1 THR 75 -2.475 0.561 6.972 618 1HG2 THR 75 1HG2 THR 75 0.588 -0.238 5.743 619 2HG2 THR 75 2HG2 THR 75 -1.083 -0.757 5.956 620 3HG2 THR 75 3HG2 THR 75 0.063 -0.905 7.288 621 H ASN 76 H ASN 76 2.973 1.263 7.935 622 HA ASN 76 HA ASN 76 3.361 3.634 6.212 623 1HB ASN 76 2HB ASN 76 5.249 2.392 8.237 624 2HB ASN 76 1HB ASN 76 5.591 3.807 7.242 625 1HD2 ASN 76 1HD2 ASN 76 5.461 3.730 10.212 626 2HD2 ASN 76 2HD2 ASN 76 4.229 4.809 10.659 627 H PHE 77 H PHE 77 4.065 3.037 4.178 628 HA PHE 77 HA PHE 77 5.636 0.554 4.139 629 1HB PHE 77 2HB PHE 77 3.062 0.975 2.933 630 2HB PHE 77 1HB PHE 77 4.275 0.664 1.685 631 HD1 PHE 77 HD1 PHE 77 6.204 -0.988 2.800 632 HD2 PHE 77 HD2 PHE 77 1.985 -1.072 3.570 633 HE1 PHE 77 HE1 PHE 77 6.384 -3.352 3.464 634 HE2 PHE 77 HE2 PHE 77 2.165 -3.448 4.232 635 HZ PHE 77 HZ PHE 77 4.376 -4.559 4.178 636 H HIS 78 H HIS 78 7.279 0.490 2.704 637 HA HIS 78 HA HIS 78 7.728 2.882 1.043 638 1HB HIS 78 2HB HIS 78 8.706 3.414 3.245 639 2HB HIS 78 1HB HIS 78 9.659 1.930 3.187 640 HD1 HIS 78 HD1 HIS 78 11.514 1.775 1.376 641 HD2 HIS 78 HD2 HIS 78 9.761 5.553 1.574 642 HE1 HIS 78 HE1 HIS 78 12.904 3.325 -0.036 643 H PHE 79 H PHE 79 9.029 2.553 -0.629 644 HA PHE 79 HA PHE 79 10.274 -0.123 -0.895 645 1HB PHE 79 2HB PHE 79 9.535 1.529 -3.276 646 2HB PHE 79 1HB PHE 79 9.732 -0.187 -3.134 647 HD1 PHE 79 HD1 PHE 79 7.442 2.348 -1.376 648 HD2 PHE 79 HD2 PHE 79 7.758 -1.335 -3.605 649 HE1 PHE 79 HE1 PHE 79 4.967 2.103 -1.326 650 HE2 PHE 79 HE2 PHE 79 5.297 -1.566 -3.509 651 HZ PHE 79 HZ PHE 79 3.919 0.128 -2.371 652 H SER 80 H SER 80 12.658 0.104 -1.589 653 HA SER 80 HA SER 80 13.402 2.958 -1.771 654 1HB SER 80 2HB SER 80 13.834 1.801 0.462 655 2HB SER 80 1HB SER 80 15.077 0.886 -0.387 656 HG SER 80 HG SER 80 16.060 2.694 0.413 657 H ASN 81 H ASN 81 14.855 -0.255 -2.238 658 HA ASN 81 HA ASN 81 17.093 0.159 -3.578 659 1HB ASN 81 2HB ASN 81 15.340 -1.532 -5.251 660 2HB ASN 81 1HB ASN 81 16.901 -1.899 -4.526 661 1HD2 ASN 81 1HD2 ASN 81 13.404 -1.812 -3.883 662 2HD2 ASN 81 2HD2 ASN 81 13.467 -2.777 -2.490 663 H GLU 82 H GLU 82 17.245 2.195 -4.584 664 HA GLU 82 HA GLU 82 15.685 3.528 -6.303 665 1HB GLU 82 2HB GLU 82 18.024 4.150 -5.684 666 2HB GLU 82 1HB GLU 82 18.607 2.989 -6.878 667 1HG GLU 82 2HG GLU 82 16.593 5.035 -7.734 668 2HG GLU 82 1HG GLU 82 18.274 5.534 -7.536 669 H SER 83 H SER 83 17.607 0.676 -7.254 670 HA SER 83 HA SER 83 16.896 0.789 -9.994 671 1HB SER 83 2HB SER 83 18.743 -0.595 -8.866 672 2HB SER 83 1HB SER 83 17.470 -1.738 -8.448 673 HG SER 83 HG SER 83 17.104 -2.108 -10.578 674 H THR 84 H THR 84 15.376 -0.771 -7.192 675 HA THR 84 HA THR 84 13.213 -1.684 -8.984 676 HB THR 84 HB THR 84 12.720 -3.347 -7.384 677 HG1 THR 84 HG1 THR 84 13.509 -3.191 -5.252 678 1HG2 THR 84 1HG2 THR 84 15.663 -3.044 -6.845 679 2HG2 THR 84 2HG2 THR 84 15.094 -3.400 -8.476 680 3HG2 THR 84 3HG2 THR 84 14.737 -4.512 -7.155 681 H ALA 85 H ALA 85 13.733 0.062 -5.905 682 HA ALA 85 HA ALA 85 10.932 0.701 -5.760 683 1HB ALA 85 1HB ALA 85 11.398 0.681 -3.600 684 2HB ALA 85 2HB ALA 85 12.499 2.039 -3.802 685 3HB ALA 85 3HB ALA 85 13.088 0.385 -3.974 686 H VAL 86 H VAL 86 10.919 2.060 -7.651 687 HA VAL 86 HA VAL 86 11.268 4.825 -6.977 688 HB VAL 86 HB VAL 86 12.186 5.167 -9.416 689 1HG1 VAL 86 1HG1 VAL 86 14.130 4.017 -7.421 690 2HG1 VAL 86 2HG1 VAL 86 13.304 5.544 -7.114 691 3HG1 VAL 86 3HG1 VAL 86 14.356 5.378 -8.520 692 1HG2 VAL 86 1HG2 VAL 86 13.904 3.185 -9.748 693 2HG2 VAL 86 2HG2 VAL 86 12.265 3.048 -10.379 694 3HG2 VAL 86 3HG2 VAL 86 12.694 2.259 -8.862 695 H LYS 87 H LYS 87 10.799 4.362 -10.346 696 HA LYS 87 HA LYS 87 8.201 5.387 -10.388 697 1HB LYS 87 2HB LYS 87 10.078 4.372 -12.273 698 2HB LYS 87 1HB LYS 87 8.519 3.618 -12.611 699 1HG LYS 87 2HG LYS 87 7.454 5.680 -12.968 700 2HG LYS 87 1HG LYS 87 8.691 6.578 -12.087 701 1HD LYS 87 2HD LYS 87 10.262 5.605 -14.003 702 2HD LYS 87 1HD LYS 87 8.739 5.537 -14.890 703 1HE LYS 87 2HE LYS 87 8.355 7.902 -14.537 704 2HE LYS 87 1HE LYS 87 9.750 8.011 -13.463 705 1HZ LYS 87 1HZ LYS 87 9.676 7.996 -16.287 706 2HZ LYS 87 2HZ LYS 87 10.757 6.973 -15.698 707 3HZ LYS 87 3HZ LYS 87 10.827 8.523 -15.306 708 H GLU 88 H GLU 88 8.950 2.005 -11.154 709 HA GLU 88 HA GLU 88 6.564 0.795 -11.268 710 1HB GLU 88 2HB GLU 88 7.864 -0.813 -9.344 711 2HB GLU 88 1HB GLU 88 7.879 -1.022 -11.090 712 1HG GLU 88 2HG GLU 88 10.153 -0.861 -10.103 713 2HG GLU 88 1HG GLU 88 9.826 0.377 -11.282 714 H ARG 89 H ARG 89 8.121 0.963 -8.034 715 HA ARG 89 HA ARG 89 5.688 0.447 -6.677 716 1HB ARG 89 2HB ARG 89 7.887 2.165 -5.529 717 2HB ARG 89 1HB ARG 89 6.804 1.069 -4.684 718 1HG ARG 89 2HG ARG 89 9.245 0.440 -6.298 719 2HG ARG 89 1HG ARG 89 8.789 -0.153 -4.724 720 1HD ARG 89 2HD ARG 89 7.797 -1.958 -5.598 721 2HD ARG 89 1HD ARG 89 6.862 -0.988 -6.735 722 HE ARG 89 HE ARG 89 9.329 -0.956 -7.843 723 1HH1 ARG 89 1HH2 ARG 89 7.301 -3.440 -6.556 724 2HH1 ARG 89 2HH2 ARG 89 7.839 -4.638 -7.679 725 1HH2 ARG 89 1HH1 ARG 89 10.047 -2.524 -9.298 726 2HH2 ARG 89 2HH1 ARG 89 9.389 -4.124 -9.225 727 H ASP 90 H ASP 90 7.204 3.239 -8.068 728 HA ASP 90 HA ASP 90 5.501 5.230 -6.846 729 1HB ASP 90 2HB ASP 90 7.582 5.647 -8.362 730 2HB ASP 90 1HB ASP 90 6.445 5.489 -9.697 731 H ALA 91 H ALA 91 4.899 2.705 -9.021 732 HA ALA 91 HA ALA 91 2.464 3.906 -10.104 733 1HB ALA 91 1HB ALA 91 2.662 2.322 -11.718 734 2HB ALA 91 2HB ALA 91 2.802 1.039 -10.516 735 3HB ALA 91 3HB ALA 91 4.236 1.928 -11.028 736 H VAL 92 H VAL 92 3.715 1.737 -7.661 737 HA VAL 92 HA VAL 92 1.249 0.538 -6.887 738 HB VAL 92 HB VAL 92 3.726 1.280 -5.295 739 1HG1 VAL 92 1HG1 VAL 92 1.058 0.326 -4.447 740 2HG1 VAL 92 2HG1 VAL 92 2.301 1.164 -3.518 741 3HG1 VAL 92 3HG1 VAL 92 2.421 -0.576 -3.786 742 1HG2 VAL 92 1HG2 VAL 92 3.971 -1.215 -5.249 743 2HG2 VAL 92 2HG2 VAL 92 4.096 -0.529 -6.869 744 3HG2 VAL 92 3HG2 VAL 92 2.607 -1.328 -6.359 745 H LYS 93 H LYS 93 3.006 3.202 -5.206 746 HA LYS 93 HA LYS 93 0.873 4.258 -3.833 747 1HB LYS 93 2HB LYS 93 3.025 5.192 -3.448 748 2HB LYS 93 1HB LYS 93 3.261 5.553 -5.159 749 1HG LYS 93 2HG LYS 93 1.049 7.027 -4.762 750 2HG LYS 93 1HG LYS 93 1.664 7.039 -3.117 751 1HD LYS 93 2HD LYS 93 3.232 8.548 -3.681 752 2HD LYS 93 1HD LYS 93 3.833 7.492 -4.955 753 1HE LYS 93 2HE LYS 93 1.317 9.099 -5.357 754 2HE LYS 93 1HE LYS 93 2.901 9.825 -5.632 755 1HZ LYS 93 1HZ LYS 93 3.212 8.559 -7.422 756 2HZ LYS 93 2HZ LYS 93 1.615 8.461 -7.457 757 3HZ LYS 93 3HZ LYS 93 2.476 7.269 -6.825 758 H ASP 94 H ASP 94 1.741 4.651 -7.281 759 HA ASP 94 HA ASP 94 -0.045 6.685 -7.962 760 1HB ASP 94 2HB ASP 94 1.649 5.460 -9.467 761 2HB ASP 94 1HB ASP 94 0.389 4.250 -9.697 762 H LEU 95 H LEU 95 -0.624 3.304 -7.227 763 HA LEU 95 HA LEU 95 -3.460 3.573 -7.968 764 1HB LEU 95 2HB LEU 95 -1.610 1.338 -7.327 765 2HB LEU 95 1HB LEU 95 -3.289 1.123 -6.829 766 HG LEU 95 HG LEU 95 -2.989 0.256 -9.099 767 1HD1 LEU 95 1HD1 LEU 95 -4.938 1.162 -9.899 768 2HD1 LEU 95 2HD1 LEU 95 -4.384 2.820 -9.666 769 3HD1 LEU 95 3HD1 LEU 95 -4.985 1.890 -8.293 770 1HD2 LEU 95 1HD2 LEU 95 -2.479 2.921 -10.279 771 2HD2 LEU 95 2HD2 LEU 95 -1.826 1.346 -10.732 772 3HD2 LEU 95 3HD2 LEU 95 -1.125 2.236 -9.381 773 H LEU 96 H LEU 96 -1.437 3.033 -5.098 774 HA LEU 96 HA LEU 96 -3.219 2.644 -3.083 775 1HB LEU 96 2HB LEU 96 -0.947 4.645 -2.997 776 2HB LEU 96 1HB LEU 96 -1.652 3.792 -1.635 777 HG LEU 96 HG LEU 96 0.022 2.670 -3.882 778 1HD1 LEU 96 1HD1 LEU 96 0.959 1.547 -1.649 779 2HD1 LEU 96 2HD1 LEU 96 0.208 2.962 -0.912 780 3HD1 LEU 96 3HD1 LEU 96 1.456 3.166 -2.140 781 1HD2 LEU 96 1HD2 LEU 96 -0.591 0.466 -2.439 782 2HD2 LEU 96 2HD2 LEU 96 -1.506 0.947 -3.868 783 3HD2 LEU 96 3HD2 LEU 96 -2.105 1.352 -2.260 784 H GLN 97 H GLN 97 -2.125 6.018 -3.799 785 HA GLN 97 HA GLN 97 -4.226 7.208 -2.334 786 1HB GLN 97 2HB GLN 97 -3.670 9.197 -3.899 787 2HB GLN 97 1HB GLN 97 -2.424 8.635 -2.792 788 1HG GLN 97 2HG GLN 97 -1.774 9.052 -5.281 789 2HG GLN 97 1HG GLN 97 -1.219 7.562 -4.514 790 1HE2 GLN 97 1HE2 GLN 97 -1.995 5.593 -5.335 791 2HE2 GLN 97 2HE2 GLN 97 -3.118 5.467 -6.559 792 H GLN 98 H GLN 98 -4.564 5.398 -5.084 793 HA GLN 98 HA GLN 98 -6.621 7.072 -6.294 794 1HB GLN 98 2HB GLN 98 -4.856 5.505 -7.513 795 2HB GLN 98 1HB GLN 98 -6.065 4.265 -7.176 796 1HG GLN 98 2HG GLN 98 -7.586 6.384 -8.111 797 2HG GLN 98 1HG GLN 98 -6.141 6.453 -9.120 798 1HE2 GLN 98 1HE2 GLN 98 -8.126 3.761 -7.738 799 2HE2 GLN 98 2HE2 GLN 98 -8.265 2.921 -9.206 800 H LEU 99 H LEU 99 -6.223 4.011 -4.530 801 HA LEU 99 HA LEU 99 -9.102 3.521 -4.552 802 1HB LEU 99 2HB LEU 99 -7.509 2.110 -2.524 803 2HB LEU 99 1HB LEU 99 -8.579 1.451 -3.741 804 HG LEU 99 HG LEU 99 -6.502 2.323 -5.286 805 1HD1 LEU 99 1HD1 LEU 99 -4.655 1.089 -3.694 806 2HD1 LEU 99 2HD1 LEU 99 -5.626 1.953 -2.498 807 3HD1 LEU 99 3HD1 LEU 99 -4.861 2.830 -3.817 808 1HD2 LEU 99 1HD2 LEU 99 -6.337 0.100 -5.780 809 2HD2 LEU 99 2HD2 LEU 99 -7.722 -0.066 -4.700 810 3HD2 LEU 99 3HD2 LEU 99 -6.089 -0.346 -4.093 811 H LEU 100 H LEU 100 -6.729 5.058 -2.524 812 HA LEU 100 HA LEU 100 -8.031 4.958 -0.064 813 1HB LEU 100 2HB LEU 100 -6.194 6.994 -1.321 814 2HB LEU 100 1HB LEU 100 -6.817 7.199 0.314 815 HG LEU 100 HG LEU 100 -5.161 4.892 -0.745 816 1HD1 LEU 100 1HD1 LEU 100 -4.294 6.237 1.690 817 2HD1 LEU 100 2HD1 LEU 100 -4.428 7.358 0.335 818 3HD1 LEU 100 3HD1 LEU 100 -3.399 5.932 0.202 819 1HD2 LEU 100 1HD2 LEU 100 -5.395 4.610 2.009 820 2HD2 LEU 100 2HD2 LEU 100 -6.246 3.645 0.803 821 3HD2 LEU 100 3HD2 LEU 100 -7.025 5.061 1.510 822 HA PRO 101 HA PRO 101 -10.385 8.830 -1.673 823 1HB PRO 101 2HB PRO 101 -10.459 8.188 -4.561 824 2HB PRO 101 1HB PRO 101 -10.220 9.761 -3.776 825 1HG PRO 101 2HG PRO 101 -8.225 8.222 -4.980 826 2HG PRO 101 1HG PRO 101 -7.940 9.515 -3.804 827 1HD PRO 101 2HD PRO 101 -7.552 6.673 -3.455 828 2HD PRO 101 1HD PRO 101 -7.196 7.986 -2.323 829 H LYS 102 H LYS 102 -10.599 5.544 -2.355 830 HA LYS 102 HA LYS 102 -13.346 5.550 -3.309 831 1HB LYS 102 2HB LYS 102 -11.514 3.846 -3.896 832 2HB LYS 102 1HB LYS 102 -11.766 3.203 -2.272 833 1HG LYS 102 2HG LYS 102 -14.056 2.675 -2.738 834 2HG LYS 102 1HG LYS 102 -14.015 3.562 -4.264 835 1HD LYS 102 2HD LYS 102 -11.925 1.515 -4.081 836 2HD LYS 102 1HD LYS 102 -13.554 0.844 -3.976 837 1HE LYS 102 2HE LYS 102 -13.260 0.902 -6.282 838 2HE LYS 102 1HE LYS 102 -14.023 2.468 -6.007 839 1HZ LYS 102 1HZ LYS 102 -11.755 3.359 -5.855 840 2HZ LYS 102 2HZ LYS 102 -12.117 2.799 -7.310 841 3HZ LYS 102 3HZ LYS 102 -11.176 1.947 -6.337 842 H PHE 103 H PHE 103 -11.625 5.146 -0.268 843 HA PHE 103 HA PHE 103 -14.246 4.696 1.028 844 1HB PHE 103 2HB PHE 103 -12.116 3.828 2.728 845 2HB PHE 103 1HB PHE 103 -13.379 2.849 1.981 846 HD1 PHE 103 HD1 PHE 103 -12.990 1.651 -0.096 847 HD2 PHE 103 HD2 PHE 103 -9.938 4.126 1.634 848 HE1 PHE 103 HE1 PHE 103 -11.328 0.690 -1.661 849 HE2 PHE 103 HE2 PHE 103 -8.266 3.156 0.083 850 HZ PHE 103 HZ PHE 103 -8.969 1.443 -1.577 851 H LYS 104 H LYS 104 -11.934 6.965 0.541 852 HA LYS 104 HA LYS 104 -11.557 7.932 3.220 853 1HB LYS 104 2HB LYS 104 -10.687 8.618 0.552 854 2HB LYS 104 1HB LYS 104 -11.262 10.061 1.388 855 1HG LYS 104 2HG LYS 104 -9.464 10.090 2.746 856 2HG LYS 104 1HG LYS 104 -9.665 8.383 3.147 857 1HD LYS 104 2HD LYS 104 -7.873 7.918 1.875 858 2HD LYS 104 1HD LYS 104 -8.777 8.463 0.464 859 1HE LYS 104 2HE LYS 104 -7.221 10.308 2.298 860 2HE LYS 104 1HE LYS 104 -6.601 9.673 0.773 861 1HZ LYS 104 1HZ LYS 104 -7.559 11.510 -0.004 862 2HZ LYS 104 2HZ LYS 104 -8.583 11.675 1.215 863 3HZ LYS 104 3HZ LYS 104 -8.912 10.654 0.028 864 H ARG 105 H ARG 105 -12.269 10.450 3.444 865 HA ARG 105 HA ARG 105 -15.185 10.357 3.309 866 1HB ARG 105 2HB ARG 105 -14.121 11.108 5.393 867 2HB ARG 105 1HB ARG 105 -13.292 12.396 4.518 868 1HG ARG 105 2HG ARG 105 -15.392 13.457 3.957 869 2HG ARG 105 1HG ARG 105 -16.306 12.100 4.616 870 1HD ARG 105 2HD ARG 105 -15.085 12.611 6.839 871 2HD ARG 105 1HD ARG 105 -14.680 14.161 6.102 872 HE ARG 105 HE ARG 105 -17.378 13.937 5.716 873 1HH1 ARG 105 1HH2 ARG 105 -15.205 13.694 8.392 874 2HH1 ARG 105 2HH2 ARG 105 -16.357 14.280 9.544 875 1HH2 ARG 105 1HH1 ARG 105 -18.885 14.701 7.211 876 2HH2 ARG 105 2HH1 ARG 105 -18.436 14.849 8.878 877 H LYS 106 H LYS 106 -15.193 10.529 0.908 878 HA LYS 106 HA LYS 106 -14.320 13.111 -0.159 879 1HB LYS 106 2HB LYS 106 -15.299 10.526 -1.333 880 2HB LYS 106 1HB LYS 106 -15.368 12.003 -2.296 881 1HG LYS 106 2HG LYS 106 -12.809 11.821 -0.973 882 2HG LYS 106 1HG LYS 106 -13.121 10.340 -1.878 883 1HD LYS 106 2HD LYS 106 -12.251 11.608 -3.591 884 2HD LYS 106 1HD LYS 106 -13.937 12.111 -3.720 885 1HE LYS 106 2HE LYS 106 -13.310 13.959 -2.021 886 2HE LYS 106 1HE LYS 106 -11.637 13.576 -2.431 887 1HZ LYS 106 1HZ LYS 106 -11.940 14.867 -4.166 888 2HZ LYS 106 2HZ LYS 106 -13.515 15.009 -3.924 889 3HZ LYS 106 3HZ LYS 106 -12.946 13.787 -4.786 890 H ALA 107 H ALA 107 -15.729 14.766 0.187 891 HA ALA 107 HA ALA 107 -18.614 14.157 0.149 892 1HB ALA 107 1HB ALA 107 -18.000 15.340 2.131 893 2HB ALA 107 2HB ALA 107 -18.757 16.534 1.077 894 3HB ALA 107 3HB ALA 107 -17.001 16.477 1.226 895 H ASN 108 H ASN 108 -17.516 14.062 -2.353 896 HA ASN 108 HA ASN 108 -18.139 16.712 -3.511 897 1HB ASN 108 2HB ASN 108 -15.879 15.233 -3.869 898 2HB ASN 108 1HB ASN 108 -16.869 14.647 -5.207 899 1HD2 ASN 108 1HD2 ASN 108 -14.450 16.563 -5.128 900 2HD2 ASN 108 2HD2 ASN 108 -14.983 17.927 -5.986 Start of MODEL 10 1 1H MET 1 1H MET 1 -22.795 -14.296 -5.879 2 2H MET 1 2H MET 1 -22.964 -15.438 -6.987 3 3H MET 1 3H MET 1 -22.902 -13.901 -7.427 4 HA MET 1 HA MET 1 -20.686 -13.712 -7.251 5 1HB MET 1 2HB MET 1 -19.485 -15.428 -5.705 6 2HB MET 1 1HB MET 1 -20.413 -14.133 -4.949 7 1HG MET 1 2HG MET 1 -22.021 -16.509 -5.588 8 2HG MET 1 1HG MET 1 -20.737 -16.819 -4.420 9 1HE MET 1 1HE MET 1 -22.742 -16.265 -1.444 10 2HE MET 1 2HE MET 1 -21.150 -16.686 -2.070 11 3HE MET 1 3HE MET 1 -22.583 -17.474 -2.725 12 H ALA 2 H ALA 2 -19.152 -14.725 -8.591 13 HA ALA 2 HA ALA 2 -19.743 -17.488 -9.426 14 1HB ALA 2 1HB ALA 2 -20.452 -15.270 -10.960 15 2HB ALA 2 2HB ALA 2 -20.271 -16.924 -11.546 16 3HB ALA 2 3HB ALA 2 -18.919 -15.796 -11.654 17 H THR 3 H THR 3 -17.783 -17.585 -11.449 18 HA THR 3 HA THR 3 -15.480 -18.209 -10.091 19 HB THR 3 HB THR 3 -14.453 -17.310 -12.456 20 HG1 THR 3 HG1 THR 3 -16.046 -16.749 -13.676 21 1HG2 THR 3 1HG2 THR 3 -16.087 -19.813 -12.514 22 2HG2 THR 3 2HG2 THR 3 -14.793 -19.688 -11.321 23 3HG2 THR 3 3HG2 THR 3 -14.425 -19.547 -13.040 24 H SER 4 H SER 4 -16.138 -15.088 -11.726 25 HA SER 4 HA SER 4 -13.826 -13.753 -11.050 26 1HB SER 4 2HB SER 4 -16.552 -12.472 -10.847 27 2HB SER 4 1HB SER 4 -15.036 -11.727 -11.346 28 HG SER 4 HG SER 4 -16.664 -13.584 -12.714 29 H SER 5 H SER 5 -12.950 -13.031 -9.155 30 HA SER 5 HA SER 5 -14.664 -13.200 -6.746 31 1HB SER 5 2HB SER 5 -11.660 -13.531 -6.819 32 2HB SER 5 1HB SER 5 -12.755 -13.906 -5.491 33 HG SER 5 HG SER 5 -13.690 -15.506 -6.864 34 H GLU 6 H GLU 6 -12.241 -11.989 -5.306 35 HA GLU 6 HA GLU 6 -13.111 -9.304 -5.406 36 1HB GLU 6 2HB GLU 6 -10.371 -10.191 -4.500 37 2HB GLU 6 1HB GLU 6 -11.327 -8.832 -3.911 38 1HG GLU 6 2HG GLU 6 -11.941 -10.263 -2.255 39 2HG GLU 6 1HG GLU 6 -13.041 -10.916 -3.469 40 H GLU 7 H GLU 7 -11.733 -7.453 -6.073 41 HA GLU 7 HA GLU 7 -10.151 -8.133 -8.487 42 1HB GLU 7 2HB GLU 7 -11.879 -5.689 -7.985 43 2HB GLU 7 1HB GLU 7 -10.898 -5.971 -9.424 44 1HG GLU 7 2HG GLU 7 -12.443 -8.308 -9.072 45 2HG GLU 7 1HG GLU 7 -13.546 -6.954 -8.820 46 H VAL 8 H VAL 8 -7.970 -7.776 -7.911 47 HA VAL 8 HA VAL 8 -7.466 -5.662 -5.971 48 HB VAL 8 HB VAL 8 -5.386 -6.722 -5.595 49 1HG1 VAL 8 1HG1 VAL 8 -7.791 -8.278 -5.676 50 2HG1 VAL 8 2HG1 VAL 8 -6.417 -8.442 -4.582 51 3HG1 VAL 8 3HG1 VAL 8 -6.436 -9.320 -6.112 52 1HG2 VAL 8 1HG2 VAL 8 -4.405 -8.367 -7.112 53 2HG2 VAL 8 2HG2 VAL 8 -4.773 -6.897 -8.014 54 3HG2 VAL 8 3HG2 VAL 8 -5.830 -8.302 -8.149 55 H LEU 9 H LEU 9 -5.820 -4.137 -6.374 56 HA LEU 9 HA LEU 9 -5.797 -3.325 -9.201 57 1HB LEU 9 2HB LEU 9 -6.591 -1.618 -7.751 58 2HB LEU 9 1HB LEU 9 -5.242 -1.837 -6.639 59 HG LEU 9 HG LEU 9 -3.673 -0.973 -8.261 60 1HD1 LEU 9 1HD1 LEU 9 -5.165 -0.027 -10.402 61 2HD1 LEU 9 2HD1 LEU 9 -5.863 -1.618 -10.097 62 3HD1 LEU 9 3HD1 LEU 9 -4.137 -1.460 -10.423 63 1HD2 LEU 9 1HD2 LEU 9 -6.188 0.592 -7.780 64 2HD2 LEU 9 2HD2 LEU 9 -4.947 1.277 -8.830 65 3HD2 LEU 9 3HD2 LEU 9 -4.562 0.874 -7.157 66 H LEU 10 H LEU 10 -3.282 -3.586 -6.524 67 HA LEU 10 HA LEU 10 -1.456 -4.428 -8.627 68 1HB LEU 10 2HB LEU 10 -1.351 -2.030 -8.963 69 2HB LEU 10 1HB LEU 10 -1.050 -1.767 -7.245 70 HG LEU 10 HG LEU 10 0.796 -3.683 -8.507 71 1HD1 LEU 10 1HD1 LEU 10 0.176 -1.398 -10.007 72 2HD1 LEU 10 2HD1 LEU 10 1.601 -2.420 -10.193 73 3HD1 LEU 10 3HD1 LEU 10 1.670 -0.989 -9.164 74 1HD2 LEU 10 1HD2 LEU 10 1.010 -1.236 -6.737 75 2HD2 LEU 10 2HD2 LEU 10 2.422 -2.130 -7.299 76 3HD2 LEU 10 3HD2 LEU 10 1.225 -2.924 -6.275 77 H ILE 11 H ILE 11 0.443 -5.378 -7.807 78 HA ILE 11 HA ILE 11 0.726 -5.337 -4.883 79 HB ILE 11 HB ILE 11 -0.456 -7.307 -5.029 80 1HG1 ILE 11 2HG1 ILE 11 1.224 -9.200 -5.067 81 2HG1 ILE 11 1HG1 ILE 11 2.435 -8.073 -5.511 82 1HG2 ILE 11 1HG2 ILE 11 0.946 -7.839 -7.653 83 2HG2 ILE 11 2HG2 ILE 11 -0.722 -7.299 -7.457 84 3HG2 ILE 11 3HG2 ILE 11 -0.245 -8.906 -6.910 85 1HD1 ILE 11 1HD1 ILE 11 1.437 -8.715 -2.921 86 2HD1 ILE 11 2HD1 ILE 11 1.096 -7.032 -3.255 87 3HD1 ILE 11 3HD1 ILE 11 2.749 -7.621 -3.338 88 H VAL 12 H VAL 12 2.682 -5.812 -4.167 89 HA VAL 12 HA VAL 12 4.832 -6.190 -6.139 90 HB VAL 12 HB VAL 12 6.214 -4.488 -4.977 91 1HG1 VAL 12 1HG1 VAL 12 4.988 -2.540 -5.881 92 2HG1 VAL 12 2HG1 VAL 12 3.518 -3.510 -5.976 93 3HG1 VAL 12 3HG1 VAL 12 4.903 -3.909 -6.992 94 1HG2 VAL 12 1HG2 VAL 12 5.506 -3.312 -3.186 95 2HG2 VAL 12 2HG2 VAL 12 4.491 -4.725 -2.907 96 3HG2 VAL 12 3HG2 VAL 12 3.826 -3.299 -3.706 97 H LYS 13 H LYS 13 5.782 -7.936 -5.683 98 HA LYS 13 HA LYS 13 5.703 -9.431 -3.318 99 1HB LYS 13 2HB LYS 13 7.165 -10.890 -4.443 100 2HB LYS 13 1HB LYS 13 6.288 -10.080 -5.733 101 1HG LYS 13 2HG LYS 13 8.522 -8.443 -5.154 102 2HG LYS 13 1HG LYS 13 9.119 -10.099 -5.258 103 1HD LYS 13 2HD LYS 13 7.220 -9.011 -7.327 104 2HD LYS 13 1HD LYS 13 8.954 -8.712 -7.449 105 1HE LYS 13 2HE LYS 13 9.085 -11.331 -7.009 106 2HE LYS 13 1HE LYS 13 7.454 -11.291 -7.678 107 1HZ LYS 13 1HZ LYS 13 8.793 -11.493 -9.504 108 2HZ LYS 13 2HZ LYS 13 9.937 -10.519 -8.953 109 3HZ LYS 13 3HZ LYS 13 8.551 -9.911 -9.475 110 H LYS 14 H LYS 14 7.509 -6.749 -4.137 111 HA LYS 14 HA LYS 14 9.359 -7.301 -1.891 112 1HB LYS 14 2HB LYS 14 10.116 -6.942 -4.469 113 2HB LYS 14 1HB LYS 14 10.175 -5.281 -3.883 114 1HG LYS 14 2HG LYS 14 12.339 -6.464 -3.553 115 2HG LYS 14 1HG LYS 14 11.621 -5.962 -2.022 116 1HD LYS 14 2HD LYS 14 11.121 -8.119 -1.387 117 2HD LYS 14 1HD LYS 14 10.903 -8.670 -3.049 118 1HE LYS 14 2HE LYS 14 13.543 -8.031 -3.096 119 2HE LYS 14 1HE LYS 14 13.371 -8.530 -1.413 120 1HZ LYS 14 1HZ LYS 14 12.609 -10.102 -3.749 121 2HZ LYS 14 2HZ LYS 14 12.355 -10.551 -2.235 122 3HZ LYS 14 3HZ LYS 14 13.851 -10.397 -2.782 123 H VAL 15 H VAL 15 9.105 -5.998 -0.204 124 HA VAL 15 HA VAL 15 8.740 -3.198 -0.644 125 HB VAL 15 HB VAL 15 6.406 -4.665 0.558 126 1HG1 VAL 15 1HG1 VAL 15 5.660 -2.592 1.550 127 2HG1 VAL 15 2HG1 VAL 15 7.047 -1.724 0.895 128 3HG1 VAL 15 3HG1 VAL 15 7.276 -2.912 2.181 129 1HG2 VAL 15 1HG2 VAL 15 5.788 -4.099 -1.540 130 2HG2 VAL 15 2HG2 VAL 15 7.070 -2.897 -1.697 131 3HG2 VAL 15 3HG2 VAL 15 5.579 -2.491 -0.848 132 H ARG 16 H ARG 16 9.234 -1.987 1.192 133 HA ARG 16 HA ARG 16 10.525 -3.609 3.309 134 1HB ARG 16 2HB ARG 16 12.038 -2.414 1.606 135 2HB ARG 16 1HB ARG 16 11.420 -0.906 2.265 136 1HG ARG 16 2HG ARG 16 13.485 -1.447 3.405 137 2HG ARG 16 1HG ARG 16 12.138 -1.663 4.531 138 1HD ARG 16 2HD ARG 16 12.484 -4.094 3.089 139 2HD ARG 16 1HD ARG 16 14.068 -3.602 3.682 140 HE ARG 16 HE ARG 16 11.951 -4.697 5.200 141 1HH1 ARG 16 1HH2 ARG 16 14.204 -2.068 5.260 142 2HH1 ARG 16 2HH2 ARG 16 14.080 -1.836 6.969 143 1HH2 ARG 16 1HH1 ARG 16 11.823 -4.407 7.447 144 2HH2 ARG 16 2HH1 ARG 16 12.748 -3.155 8.200 145 H GLN 17 H GLN 17 9.916 -3.096 5.289 146 HA GLN 17 HA GLN 17 8.849 -0.411 5.764 147 1HB GLN 17 2HB GLN 17 6.918 -1.254 6.913 148 2HB GLN 17 1HB GLN 17 6.965 -2.109 5.383 149 1HG GLN 17 2HG GLN 17 8.000 -4.025 6.474 150 2HG GLN 17 1HG GLN 17 8.027 -3.150 8.005 151 1HE2 GLN 17 1HE2 GLN 17 5.836 -2.506 8.900 152 2HE2 GLN 17 2HE2 GLN 17 4.494 -3.481 8.542 153 H LYS 18 H LYS 18 9.854 0.380 7.561 154 HA LYS 18 HA LYS 18 12.103 -0.520 8.606 155 1HB LYS 18 2HB LYS 18 10.009 1.208 9.629 156 2HB LYS 18 1HB LYS 18 10.868 0.393 10.937 157 1HG LYS 18 2HG LYS 18 12.384 2.074 10.666 158 2HG LYS 18 1HG LYS 18 12.949 1.090 9.315 159 1HD LYS 18 2HD LYS 18 10.696 2.635 8.441 160 2HD LYS 18 1HD LYS 18 11.855 3.715 9.217 161 1HE LYS 18 2HE LYS 18 13.104 3.641 7.347 162 2HE LYS 18 1HE LYS 18 13.378 1.925 7.645 163 1HZ LYS 18 1HZ LYS 18 11.099 1.712 6.564 164 2HZ LYS 18 2HZ LYS 18 12.369 1.944 5.619 165 3HZ LYS 18 3HZ LYS 18 11.388 3.163 5.953 166 H LYS 19 H LYS 19 9.033 -2.045 9.332 167 HA LYS 19 HA LYS 19 10.051 -3.482 11.593 168 1HB LYS 19 2HB LYS 19 7.893 -4.186 11.808 169 2HB LYS 19 1HB LYS 19 7.530 -3.006 10.558 170 1HG LYS 19 2HG LYS 19 7.569 -4.717 8.826 171 2HG LYS 19 1HG LYS 19 8.254 -5.898 9.931 172 1HD LYS 19 2HD LYS 19 5.596 -4.617 10.504 173 2HD LYS 19 1HD LYS 19 5.717 -5.978 9.381 174 1HE LYS 19 2HE LYS 19 7.242 -6.850 11.500 175 2HE LYS 19 1HE LYS 19 5.978 -5.935 12.321 176 1HZ LYS 19 1HZ LYS 19 4.966 -7.912 12.051 177 2HZ LYS 19 2HZ LYS 19 5.734 -8.296 10.700 178 3HZ LYS 19 3HZ LYS 19 4.522 -7.252 10.661 179 H GLN 20 H GLN 20 9.226 -4.469 8.283 180 HA GLN 20 HA GLN 20 11.388 -6.415 8.251 181 1HB GLN 20 2HB GLN 20 9.731 -7.733 9.255 182 2HB GLN 20 1HB GLN 20 8.449 -6.999 8.311 183 1HG GLN 20 2HG GLN 20 9.197 -8.132 6.300 184 2HG GLN 20 1HG GLN 20 10.635 -8.721 7.128 185 1HE2 GLN 20 1HE2 GLN 20 10.027 -10.025 9.273 186 2HE2 GLN 20 2HE2 GLN 20 8.754 -11.134 9.096 187 H ASP 21 H ASP 21 11.407 -7.490 5.998 188 HA ASP 21 HA ASP 21 10.465 -5.487 4.037 189 1HB ASP 21 2HB ASP 21 12.276 -7.696 3.175 190 2HB ASP 21 1HB ASP 21 12.302 -5.994 2.703 191 H GLY 22 H GLY 22 8.857 -6.208 2.802 192 1HA GLY 22 2HA GLY 22 8.288 -9.008 2.458 193 2HA GLY 22 1HA GLY 22 7.186 -8.201 3.547 194 H ALA 23 H ALA 23 6.332 -9.275 1.113 195 HA ALA 23 HA ALA 23 6.156 -7.228 -0.842 196 1HB ALA 23 1HB ALA 23 4.619 -8.838 -1.941 197 2HB ALA 23 2HB ALA 23 4.692 -9.845 -0.497 198 3HB ALA 23 3HB ALA 23 6.144 -9.578 -1.457 199 H LEU 24 H LEU 24 4.732 -5.876 -1.151 200 HA LEU 24 HA LEU 24 2.390 -5.635 0.662 201 1HB LEU 24 2HB LEU 24 4.294 -3.766 -0.418 202 2HB LEU 24 1HB LEU 24 2.679 -3.248 -0.849 203 HG LEU 24 HG LEU 24 3.832 -3.745 1.890 204 1HD1 LEU 24 1HD1 LEU 24 3.018 -1.456 0.206 205 2HD1 LEU 24 2HD1 LEU 24 4.162 -1.510 1.542 206 3HD1 LEU 24 3HD1 LEU 24 2.434 -1.372 1.865 207 1HD2 LEU 24 1HD2 LEU 24 1.399 -3.039 2.563 208 2HD2 LEU 24 2HD2 LEU 24 1.714 -4.725 2.153 209 3HD2 LEU 24 3HD2 LEU 24 0.963 -3.656 0.969 210 H TYR 25 H TYR 25 0.378 -5.752 -0.069 211 HA TYR 25 HA TYR 25 -0.173 -6.074 -2.961 212 1HB TYR 25 2HB TYR 25 -1.369 -7.183 -0.421 213 2HB TYR 25 1HB TYR 25 -2.320 -7.117 -1.898 214 HD1 TYR 25 HD1 TYR 25 0.257 -8.881 -0.068 215 HD2 TYR 25 HD2 TYR 25 -1.499 -8.305 -3.929 216 HE1 TYR 25 HE1 TYR 25 1.271 -11.015 -0.838 217 HE2 TYR 25 HE2 TYR 25 -0.444 -10.408 -4.725 218 HH TYR 25 HH TYR 25 1.981 -11.871 -3.421 219 H LEU 26 H LEU 26 -1.605 -4.465 -3.875 220 HA LEU 26 HA LEU 26 -2.980 -2.843 -1.846 221 1HB LEU 26 2HB LEU 26 -1.430 -1.570 -3.307 222 2HB LEU 26 1HB LEU 26 -2.248 -2.218 -4.730 223 HG LEU 26 HG LEU 26 -4.133 -1.056 -2.836 224 1HD1 LEU 26 1HD1 LEU 26 -1.705 0.316 -2.989 225 2HD1 LEU 26 2HD1 LEU 26 -3.248 0.979 -2.450 226 3HD1 LEU 26 3HD1 LEU 26 -2.754 1.154 -4.134 227 1HD2 LEU 26 1HD2 LEU 26 -3.998 0.317 -5.335 228 2HD2 LEU 26 2HD2 LEU 26 -5.190 -0.873 -4.814 229 3HD2 LEU 26 3HD2 LEU 26 -3.727 -1.397 -5.648 230 H MET 27 H MET 27 -5.177 -3.071 -1.860 231 HA MET 27 HA MET 27 -6.355 -4.518 -4.153 232 1HB MET 27 2HB MET 27 -6.431 -5.937 -2.203 233 2HB MET 27 1HB MET 27 -7.024 -4.614 -1.203 234 1HG MET 27 2HG MET 27 -9.170 -4.885 -1.902 235 2HG MET 27 1HG MET 27 -8.681 -5.156 -3.574 236 1HE MET 27 1HE MET 27 -9.318 -8.603 -4.183 237 2HE MET 27 2HE MET 27 -8.792 -7.011 -4.723 238 3HE MET 27 3HE MET 27 -10.401 -7.213 -4.036 239 H ALA 28 H ALA 28 -8.474 -3.834 -4.758 240 HA ALA 28 HA ALA 28 -8.956 -1.234 -5.141 241 1HB ALA 28 1HB ALA 28 -11.483 -2.369 -4.423 242 2HB ALA 28 2HB ALA 28 -10.513 -3.618 -5.207 243 3HB ALA 28 3HB ALA 28 -10.825 -2.091 -6.036 244 H GLU 29 H GLU 29 -10.342 -2.920 -2.205 245 HA GLU 29 HA GLU 29 -10.718 -0.231 -1.108 246 1HB GLU 29 2HB GLU 29 -12.698 -1.569 -1.191 247 2HB GLU 29 1HB GLU 29 -11.849 -2.959 -0.514 248 1HG GLU 29 2HG GLU 29 -12.094 -2.218 1.621 249 2HG GLU 29 1HG GLU 29 -11.753 -0.544 1.189 250 H ARG 30 H ARG 30 -8.218 -2.473 -0.877 251 HA ARG 30 HA ARG 30 -7.597 -1.369 1.737 252 1HB ARG 30 2HB ARG 30 -7.724 -3.257 3.050 253 2HB ARG 30 1HB ARG 30 -9.140 -3.436 2.032 254 1HG ARG 30 2HG ARG 30 -6.998 -4.644 0.636 255 2HG ARG 30 1HG ARG 30 -6.870 -5.179 2.312 256 1HD ARG 30 2HD ARG 30 -8.347 -6.707 1.122 257 2HD ARG 30 1HD ARG 30 -9.305 -5.760 2.256 258 HE ARG 30 HE ARG 30 -9.335 -4.340 -0.126 259 1HH1 ARG 30 1HH2 ARG 30 -10.154 -7.506 0.996 260 2HH1 ARG 30 2HH2 ARG 30 -11.419 -7.730 -0.164 261 1HH2 ARG 30 1HH1 ARG 30 -10.993 -4.622 -1.637 262 2HH2 ARG 30 2HH1 ARG 30 -11.893 -6.101 -1.652 263 H ILE 31 H ILE 31 -5.568 -2.120 2.627 264 HA ILE 31 HA ILE 31 -3.650 -2.725 0.450 265 HB ILE 31 HB ILE 31 -3.570 -0.945 2.863 266 1HG1 ILE 31 2HG1 ILE 31 -3.768 -0.234 0.421 267 2HG1 ILE 31 1HG1 ILE 31 -2.467 0.530 1.334 268 1HG2 ILE 31 1HG2 ILE 31 -0.914 -1.119 2.331 269 2HG2 ILE 31 2HG2 ILE 31 -1.380 -2.800 2.073 270 3HG2 ILE 31 3HG2 ILE 31 -1.695 -2.027 3.625 271 1HD1 ILE 31 1HD1 ILE 31 -2.187 -0.826 -1.083 272 2HD1 ILE 31 2HD1 ILE 31 -1.623 -1.987 0.119 273 3HD1 ILE 31 3HD1 ILE 31 -0.879 -0.391 0.018 274 H ALA 32 H ALA 32 -2.359 -4.553 0.696 275 HA ALA 32 HA ALA 32 -2.695 -6.031 3.235 276 1HB ALA 32 1HB ALA 32 -3.788 -7.557 1.992 277 2HB ALA 32 2HB ALA 32 -2.206 -7.955 1.324 278 3HB ALA 32 3HB ALA 32 -3.260 -6.820 0.480 279 H TRP 33 H TRP 33 -1.009 -7.249 3.926 280 HA TRP 33 HA TRP 33 1.573 -6.692 2.547 281 1HB TRP 33 2HB TRP 33 1.374 -5.443 4.696 282 2HB TRP 33 1HB TRP 33 1.245 -6.988 5.522 283 HD1 TRP 33 HD1 TRP 33 3.489 -6.058 2.580 284 HE1 TRP 33 HE1 TRP 33 5.912 -6.465 3.302 285 HE3 TRP 33 HE3 TRP 33 2.868 -7.645 7.410 286 HZ2 TRP 33 HZ2 TRP 33 7.413 -7.289 5.435 287 HZ3 TRP 33 HZ3 TRP 33 4.860 -8.301 8.737 288 HH2 TRP 33 HH2 TRP 33 7.133 -8.156 7.728 289 H ALA 34 H ALA 34 3.019 -8.381 2.425 290 HA ALA 34 HA ALA 34 2.398 -10.857 3.819 291 1HB ALA 34 1HB ALA 34 1.378 -10.524 1.294 292 2HB ALA 34 2HB ALA 34 1.705 -12.074 2.072 293 3HB ALA 34 3HB ALA 34 2.902 -11.360 0.988 294 HA PRO 35 HA PRO 35 6.733 -11.168 3.009 295 1HB PRO 35 2HB PRO 35 6.978 -13.760 4.207 296 2HB PRO 35 1HB PRO 35 7.248 -12.189 4.975 297 1HG PRO 35 2HG PRO 35 5.046 -14.010 5.387 298 2HG PRO 35 1HG PRO 35 5.349 -12.462 6.188 299 1HD PRO 35 2HD PRO 35 3.350 -13.049 4.212 300 2HD PRO 35 1HD PRO 35 3.689 -11.493 4.989 301 H GLU 36 H GLU 36 8.246 -13.523 2.587 302 HA GLU 36 HA GLU 36 7.185 -14.324 -0.048 303 1HB GLU 36 2HB GLU 36 9.722 -13.439 0.777 304 2HB GLU 36 1HB GLU 36 9.903 -15.171 0.494 305 1HG GLU 36 2HG GLU 36 8.555 -13.310 -1.477 306 2HG GLU 36 1HG GLU 36 10.271 -13.710 -1.550 307 H GLY 37 H GLY 37 5.743 -15.938 0.914 308 1HA GLY 37 2HA GLY 37 7.096 -18.473 1.255 309 2HA GLY 37 1HA GLY 37 6.273 -17.900 2.705 310 H LYS 38 H LYS 38 3.929 -16.933 1.987 311 HA LYS 38 HA LYS 38 2.638 -19.231 0.689 312 1HB LYS 38 2HB LYS 38 1.588 -16.961 2.393 313 2HB LYS 38 1HB LYS 38 0.543 -18.147 1.609 314 1HG LYS 38 2HG LYS 38 2.481 -19.711 2.845 315 2HG LYS 38 1HG LYS 38 2.181 -18.425 4.015 316 1HD LYS 38 2HD LYS 38 -0.115 -18.945 4.180 317 2HD LYS 38 1HD LYS 38 -0.103 -19.870 2.677 318 1HE LYS 38 2HE LYS 38 1.789 -20.916 4.648 319 2HE LYS 38 1HE LYS 38 0.125 -20.935 5.232 320 1HZ LYS 38 1HZ LYS 38 1.307 -22.499 3.213 321 2HZ LYS 38 2HZ LYS 38 -0.044 -21.807 2.707 322 3HZ LYS 38 3HZ LYS 38 -0.062 -22.741 4.007 323 H ASP 39 H ASP 39 0.371 -18.218 -0.338 324 HA ASP 39 HA ASP 39 1.340 -16.296 -2.374 325 1HB ASP 39 2HB ASP 39 -0.455 -17.367 -3.821 326 2HB ASP 39 1HB ASP 39 0.915 -18.407 -3.431 327 H ARG 40 H ARG 40 0.345 -15.228 -0.042 328 HA ARG 40 HA ARG 40 -2.020 -13.868 -1.029 329 1HB ARG 40 2HB ARG 40 -3.381 -14.384 0.953 330 2HB ARG 40 1HB ARG 40 -2.982 -15.848 0.060 331 1HG ARG 40 2HG ARG 40 -1.150 -16.336 1.615 332 2HG ARG 40 1HG ARG 40 -1.481 -14.842 2.492 333 1HD ARG 40 2HD ARG 40 -3.806 -16.640 2.133 334 2HD ARG 40 1HD ARG 40 -2.532 -17.253 3.186 335 HE ARG 40 HE ARG 40 -2.912 -14.681 4.039 336 1HH1 ARG 40 1HH2 ARG 40 -4.896 -17.452 3.465 337 2HH1 ARG 40 2HH2 ARG 40 -6.041 -17.046 4.698 338 1HH2 ARG 40 1HH1 ARG 40 -4.400 -14.144 5.647 339 2HH2 ARG 40 2HH1 ARG 40 -5.761 -15.176 5.932 340 H PHE 41 H PHE 41 -2.461 -13.147 1.986 341 HA PHE 41 HA PHE 41 -0.052 -11.462 2.139 342 1HB PHE 41 2HB PHE 41 -2.517 -10.368 3.318 343 2HB PHE 41 1HB PHE 41 -1.212 -9.552 2.467 344 HD1 PHE 41 HD1 PHE 41 -4.466 -9.791 2.288 345 HD2 PHE 41 HD2 PHE 41 -1.106 -10.948 -0.102 346 HE1 PHE 41 HE1 PHE 41 -5.888 -9.687 0.245 347 HE2 PHE 41 HE2 PHE 41 -2.506 -10.837 -2.151 348 HZ PHE 41 HZ PHE 41 -4.904 -10.212 -1.974 349 H THR 42 H THR 42 -0.059 -10.310 4.258 350 HA THR 42 HA THR 42 -0.583 -12.128 6.517 351 HB THR 42 HB THR 42 1.907 -11.552 5.476 352 HG1 THR 42 HG1 THR 42 2.606 -11.997 7.703 353 1HG2 THR 42 1HG2 THR 42 1.340 -9.449 7.584 354 2HG2 THR 42 2HG2 THR 42 1.821 -9.176 5.908 355 3HG2 THR 42 3HG2 THR 42 2.956 -9.902 7.043 356 H ILE 43 H ILE 43 -1.460 -9.378 4.986 357 HA ILE 43 HA ILE 43 -2.451 -8.164 7.431 358 HB ILE 43 HB ILE 43 -0.044 -7.236 6.272 359 1HG1 ILE 43 2HG1 ILE 43 -1.848 -6.503 8.528 360 2HG1 ILE 43 1HG1 ILE 43 -0.183 -7.088 8.568 361 1HG2 ILE 43 1HG2 ILE 43 -0.457 -4.998 5.596 362 2HG2 ILE 43 2HG2 ILE 43 -2.099 -5.025 6.234 363 3HG2 ILE 43 3HG2 ILE 43 -1.711 -5.915 4.771 364 1HD1 ILE 43 1HD1 ILE 43 0.293 -4.891 8.992 365 2HD1 ILE 43 2HD1 ILE 43 -1.215 -4.336 8.263 366 3HD1 ILE 43 3HD1 ILE 43 0.160 -4.747 7.234 367 H SER 44 H SER 44 -4.131 -6.614 6.988 368 HA SER 44 HA SER 44 -4.745 -5.965 4.266 369 1HB SER 44 2HB SER 44 -7.069 -7.106 4.474 370 2HB SER 44 1HB SER 44 -5.685 -8.109 4.046 371 HG SER 44 HG SER 44 -6.727 -9.129 5.706 372 H HIS 45 H HIS 45 -5.039 -3.818 4.820 373 HA HIS 45 HA HIS 45 -7.005 -3.290 6.969 374 1HB HIS 45 2HB HIS 45 -5.712 -0.921 6.032 375 2HB HIS 45 1HB HIS 45 -5.709 -1.599 7.655 376 HD1 HIS 45 HD1 HIS 45 -3.439 -2.155 8.475 377 HD2 HIS 45 HD2 HIS 45 -3.625 -2.353 4.320 378 HE1 HIS 45 HE1 HIS 45 -1.082 -2.606 7.670 379 H MET 46 H MET 46 -8.983 -2.846 6.147 380 HA MET 46 HA MET 46 -9.445 -2.207 3.432 381 1HB MET 46 2HB MET 46 -11.008 -2.676 5.812 382 2HB MET 46 1HB MET 46 -11.619 -1.259 4.959 383 1HG MET 46 2HG MET 46 -12.647 -2.660 3.525 384 2HG MET 46 1HG MET 46 -11.051 -3.139 2.948 385 1HE MET 46 1HE MET 46 -14.129 -4.479 3.581 386 2HE MET 46 2HE MET 46 -13.695 -6.175 3.778 387 3HE MET 46 3HE MET 46 -13.017 -5.249 2.442 388 H TYR 47 H TYR 47 -8.856 -0.369 2.535 389 HA TYR 47 HA TYR 47 -7.896 1.903 3.621 390 1HB TYR 47 2HB TYR 47 -9.458 1.396 1.119 391 2HB TYR 47 1HB TYR 47 -9.159 3.064 1.584 392 HD1 TYR 47 HD1 TYR 47 -8.074 1.765 -0.908 393 HD2 TYR 47 HD2 TYR 47 -6.349 2.079 3.026 394 HE1 TYR 47 HE1 TYR 47 -5.827 1.665 -1.868 395 HE2 TYR 47 HE2 TYR 47 -4.107 1.979 2.036 396 HH TYR 47 HH TYR 47 -2.919 1.934 0.167 397 H ALA 48 H ALA 48 -11.425 1.261 3.246 398 HA ALA 48 HA ALA 48 -12.195 3.776 4.397 399 1HB ALA 48 1HB ALA 48 -13.701 1.136 4.396 400 2HB ALA 48 2HB ALA 48 -13.746 2.312 3.082 401 3HB ALA 48 3HB ALA 48 -14.397 2.734 4.666 402 H ASP 49 H ASP 49 -11.647 0.559 5.582 403 HA ASP 49 HA ASP 49 -12.218 0.951 8.347 404 1HB ASP 49 2HB ASP 49 -10.326 -0.978 6.979 405 2HB ASP 49 1HB ASP 49 -10.778 -1.063 8.682 406 H ILE 50 H ILE 50 -9.888 2.356 6.464 407 HA ILE 50 HA ILE 50 -8.241 2.934 8.841 408 HB ILE 50 HB ILE 50 -7.461 1.963 6.123 409 1HG1 ILE 50 2HG1 ILE 50 -6.581 1.556 8.971 410 2HG1 ILE 50 1HG1 ILE 50 -7.222 0.371 7.837 411 1HG2 ILE 50 1HG2 ILE 50 -5.858 3.472 5.747 412 2HG2 ILE 50 2HG2 ILE 50 -5.136 3.142 7.316 413 3HG2 ILE 50 3HG2 ILE 50 -6.356 4.387 7.153 414 1HD1 ILE 50 1HD1 ILE 50 -5.148 0.734 6.430 415 2HD1 ILE 50 2HD1 ILE 50 -4.842 -0.015 7.996 416 3HD1 ILE 50 3HD1 ILE 50 -4.500 1.695 7.751 417 H LYS 51 H LYS 51 -7.711 5.275 8.987 418 HA LYS 51 HA LYS 51 -8.140 6.715 6.498 419 1HB LYS 51 2HB LYS 51 -10.350 6.673 7.858 420 2HB LYS 51 1HB LYS 51 -9.529 7.850 8.891 421 1HG LYS 51 2HG LYS 51 -9.726 8.084 5.879 422 2HG LYS 51 1HG LYS 51 -10.797 8.928 7.003 423 1HD LYS 51 2HD LYS 51 -8.598 9.810 8.076 424 2HD LYS 51 1HD LYS 51 -7.826 9.290 6.575 425 1HE LYS 51 2HE LYS 51 -8.735 10.998 5.386 426 2HE LYS 51 1HE LYS 51 -10.308 10.826 6.166 427 1HZ LYS 51 1HZ LYS 51 -8.077 12.447 6.940 428 2HZ LYS 51 2HZ LYS 51 -8.913 11.785 8.133 429 3HZ LYS 51 3HZ LYS 51 -9.644 12.742 7.080 430 H CYS 52 H CYS 52 -6.247 7.443 6.375 431 HA CYS 52 HA CYS 52 -5.403 9.753 7.553 432 1HB CYS 52 2HB CYS 52 -4.682 7.347 9.043 433 2HB CYS 52 1HB CYS 52 -3.324 8.401 8.675 434 HG CYS 52 HG CYS 52 -5.754 9.877 9.845 435 H GLN 53 H GLN 53 -4.191 10.423 5.840 436 HA GLN 53 HA GLN 53 -2.377 8.397 4.699 437 1HB GLN 53 2HB GLN 53 -4.799 9.386 3.482 438 2HB GLN 53 1HB GLN 53 -3.399 9.787 2.487 439 1HG GLN 53 2HG GLN 53 -3.417 7.658 1.746 440 2HG GLN 53 1HG GLN 53 -2.930 7.164 3.366 441 1HE2 GLN 53 1HE2 GLN 53 -5.541 8.083 4.566 442 2HE2 GLN 53 2HE2 GLN 53 -6.683 6.921 4.094 443 H LYS 54 H LYS 54 -0.487 9.133 4.551 444 HA LYS 54 HA LYS 54 0.005 11.957 3.860 445 1HB LYS 54 2HB LYS 54 0.730 12.014 6.062 446 2HB LYS 54 1HB LYS 54 0.952 10.264 6.134 447 1HG LYS 54 2HG LYS 54 3.121 10.382 5.442 448 2HG LYS 54 1HG LYS 54 2.804 11.708 4.321 449 1HD LYS 54 2HD LYS 54 3.768 13.079 5.831 450 2HD LYS 54 1HD LYS 54 2.352 12.815 6.850 451 1HE LYS 54 2HE LYS 54 3.684 10.585 7.476 452 2HE LYS 54 1HE LYS 54 5.066 11.579 7.016 453 1HZ LYS 54 1HZ LYS 54 3.475 11.750 9.313 454 2HZ LYS 54 2HZ LYS 54 3.516 13.160 8.559 455 3HZ LYS 54 3HZ LYS 54 4.880 12.455 9.009 456 H ILE 55 H ILE 55 0.869 11.783 1.790 457 HA ILE 55 HA ILE 55 2.622 9.443 1.332 458 HB ILE 55 HB ILE 55 0.716 10.934 -0.464 459 1HG1 ILE 55 2HG1 ILE 55 -0.140 8.736 -0.910 460 2HG1 ILE 55 1HG1 ILE 55 1.261 7.970 -0.163 461 1HG2 ILE 55 1HG2 ILE 55 2.572 10.937 -1.895 462 2HG2 ILE 55 2HG2 ILE 55 1.813 9.393 -2.282 463 3HG2 ILE 55 3HG2 ILE 55 3.218 9.442 -1.218 464 1HD1 ILE 55 1HD1 ILE 55 -0.982 8.186 1.194 465 2HD1 ILE 55 2HD1 ILE 55 -0.434 9.840 1.464 466 3HD1 ILE 55 3HD1 ILE 55 0.558 8.483 1.999 467 H SER 56 H SER 56 4.634 10.258 1.740 468 HA SER 56 HA SER 56 5.354 12.689 0.226 469 1HB SER 56 2HB SER 56 7.158 12.092 2.408 470 2HB SER 56 1HB SER 56 6.259 13.570 2.075 471 HG SER 56 HG SER 56 5.803 11.795 3.958 472 HA PRO 57 HA PRO 57 8.741 10.284 -1.047 473 1HB PRO 57 2HB PRO 57 7.705 8.322 -2.784 474 2HB PRO 57 1HB PRO 57 8.142 8.151 -1.083 475 1HG PRO 57 2HG PRO 57 5.544 8.023 -2.162 476 2HG PRO 57 1HG PRO 57 5.973 8.005 -0.473 477 1HD PRO 57 2HD PRO 57 4.922 10.247 -2.076 478 2HD PRO 57 1HD PRO 57 4.918 9.999 -0.337 479 H GLU 58 H GLU 58 7.195 12.400 -2.704 480 HA GLU 58 HA GLU 58 7.872 11.740 -5.435 481 1HB GLU 58 2HB GLU 58 6.779 13.712 -5.980 482 2HB GLU 58 1HB GLU 58 6.039 13.373 -4.419 483 1HG GLU 58 2HG GLU 58 6.650 15.620 -4.191 484 2HG GLU 58 1HG GLU 58 8.016 14.784 -3.451 485 H GLY 59 H GLY 59 9.346 13.372 -2.737 486 1HA GLY 59 2HA GLY 59 11.849 13.540 -4.229 487 2HA GLY 59 1HA GLY 59 11.249 15.035 -3.490 488 H LYS 60 H LYS 60 11.034 11.676 -2.335 489 HA LYS 60 HA LYS 60 12.345 12.640 0.133 490 1HB LYS 60 2HB LYS 60 10.258 10.450 -0.164 491 2HB LYS 60 1HB LYS 60 10.965 11.024 1.354 492 1HG LYS 60 2HG LYS 60 9.067 12.474 -0.476 493 2HG LYS 60 1HG LYS 60 8.982 12.258 1.269 494 1HD LYS 60 2HD LYS 60 11.275 13.656 1.142 495 2HD LYS 60 1HD LYS 60 10.477 14.286 -0.300 496 1HE LYS 60 2HE LYS 60 9.417 15.687 1.130 497 2HE LYS 60 1HE LYS 60 8.434 14.283 1.546 498 1HZ LYS 60 1HZ LYS 60 10.913 14.398 2.907 499 2HZ LYS 60 2HZ LYS 60 9.448 14.126 3.491 500 3HZ LYS 60 3HZ LYS 60 9.951 15.628 3.263 501 H ALA 61 H ALA 61 12.719 10.388 1.447 502 HA ALA 61 HA ALA 61 15.173 9.432 0.877 503 1HB ALA 61 1HB ALA 61 13.133 8.647 2.595 504 2HB ALA 61 2HB ALA 61 14.758 7.965 2.541 505 3HB ALA 61 3HB ALA 61 13.450 7.200 1.639 506 H LYS 62 H LYS 62 12.394 7.342 -0.009 507 HA LYS 62 HA LYS 62 13.094 7.248 -2.731 508 1HB LYS 62 2HB LYS 62 13.712 4.681 -2.566 509 2HB LYS 62 1HB LYS 62 14.961 5.902 -2.503 510 1HG LYS 62 2HG LYS 62 13.618 5.057 0.038 511 2HG LYS 62 1HG LYS 62 14.818 3.981 -0.665 512 1HD LYS 62 2HD LYS 62 15.955 6.555 -0.731 513 2HD LYS 62 1HD LYS 62 15.189 6.403 0.854 514 1HE LYS 62 2HE LYS 62 16.331 4.032 0.853 515 2HE LYS 62 1HE LYS 62 17.396 4.758 -0.351 516 1HZ LYS 62 1HZ LYS 62 18.202 5.056 1.888 517 2HZ LYS 62 2HZ LYS 62 16.884 5.864 2.300 518 3HZ LYS 62 3HZ LYS 62 17.887 6.473 1.212 519 H ILE 63 H ILE 63 10.487 7.478 -1.594 520 HA ILE 63 HA ILE 63 8.555 6.724 -1.933 521 HB ILE 63 HB ILE 63 8.835 5.658 -3.952 522 1HG1 ILE 63 2HG1 ILE 63 7.610 3.303 -3.311 523 2HG1 ILE 63 1HG1 ILE 63 7.340 4.234 -1.850 524 1HG2 ILE 63 1HG2 ILE 63 10.339 3.512 -2.477 525 2HG2 ILE 63 2HG2 ILE 63 10.810 4.404 -3.925 526 3HG2 ILE 63 3HG2 ILE 63 9.557 3.172 -4.017 527 1HD1 ILE 63 1HD1 ILE 63 5.671 5.293 -2.896 528 2HD1 ILE 63 2HD1 ILE 63 6.095 4.541 -4.433 529 3HD1 ILE 63 3HD1 ILE 63 6.881 6.040 -3.938 530 H GLN 64 H GLN 64 8.209 6.985 0.099 531 HA GLN 64 HA GLN 64 7.703 4.492 1.629 532 1HB GLN 64 2HB GLN 64 8.128 6.546 3.522 533 2HB GLN 64 1HB GLN 64 9.153 5.143 3.235 534 1HG GLN 64 2HG GLN 64 10.323 6.439 1.432 535 2HG GLN 64 1HG GLN 64 9.377 7.854 1.895 536 1HE2 GLN 64 1HE2 GLN 64 11.043 5.329 3.871 537 2HE2 GLN 64 2HE2 GLN 64 11.948 6.437 4.784 538 H LEU 65 H LEU 65 5.640 4.531 2.700 539 HA LEU 65 HA LEU 65 4.200 7.082 2.429 540 1HB LEU 65 2HB LEU 65 2.139 5.818 1.809 541 2HB LEU 65 1HB LEU 65 3.411 5.783 0.595 542 HG LEU 65 HG LEU 65 2.320 3.573 0.938 543 1HD1 LEU 65 1HD1 LEU 65 5.020 4.148 0.675 544 2HD1 LEU 65 2HD1 LEU 65 4.262 2.582 0.389 545 3HD1 LEU 65 3HD1 LEU 65 4.978 2.940 1.958 546 1HD2 LEU 65 1HD2 LEU 65 2.352 2.421 2.954 547 2HD2 LEU 65 2HD2 LEU 65 2.139 4.078 3.515 548 3HD2 LEU 65 3HD2 LEU 65 3.734 3.328 3.569 549 H GLN 66 H GLN 66 2.140 7.116 3.810 550 HA GLN 66 HA GLN 66 2.364 5.396 6.189 551 1HB GLN 66 2HB GLN 66 3.515 7.834 6.264 552 2HB GLN 66 1HB GLN 66 1.867 8.275 6.713 553 1HG GLN 66 2HG GLN 66 2.119 6.141 8.301 554 2HG GLN 66 1HG GLN 66 3.830 6.551 8.164 555 1HE2 GLN 66 1HE2 GLN 66 3.233 6.972 10.648 556 2HE2 GLN 66 2HE2 GLN 66 2.795 8.571 11.016 557 H LEU 67 H LEU 67 0.440 4.837 6.972 558 HA LEU 67 HA LEU 67 -1.990 6.364 6.244 559 1HB LEU 67 2HB LEU 67 -1.810 4.678 4.541 560 2HB LEU 67 1HB LEU 67 -1.380 3.443 5.719 561 HG LEU 67 HG LEU 67 -3.801 4.271 6.683 562 1HD1 LEU 67 1HD1 LEU 67 -3.604 5.038 3.850 563 2HD1 LEU 67 2HD1 LEU 67 -4.805 5.505 5.055 564 3HD1 LEU 67 3HD1 LEU 67 -4.975 3.977 4.186 565 1HD2 LEU 67 1HD2 LEU 67 -3.235 1.959 6.440 566 2HD2 LEU 67 2HD2 LEU 67 -3.023 2.120 4.699 567 3HD2 LEU 67 3HD2 LEU 67 -4.637 2.196 5.398 568 H VAL 68 H VAL 68 -3.511 6.371 7.935 569 HA VAL 68 HA VAL 68 -2.811 4.616 10.202 570 HB VAL 68 HB VAL 68 -4.265 7.177 10.695 571 1HG1 VAL 68 1HG1 VAL 68 -2.905 6.914 12.833 572 2HG1 VAL 68 2HG1 VAL 68 -2.437 5.329 12.225 573 3HG1 VAL 68 3HG1 VAL 68 -4.135 5.683 12.559 574 1HG2 VAL 68 1HG2 VAL 68 -1.452 7.327 11.253 575 2HG2 VAL 68 2HG2 VAL 68 -2.444 8.447 10.319 576 3HG2 VAL 68 3HG2 VAL 68 -1.706 7.050 9.534 577 H LEU 69 H LEU 69 -4.516 4.058 11.582 578 HA LEU 69 HA LEU 69 -6.873 3.322 10.041 579 1HB LEU 69 2HB LEU 69 -5.968 2.572 12.834 580 2HB LEU 69 1HB LEU 69 -7.173 1.726 11.890 581 HG LEU 69 HG LEU 69 -4.397 1.202 12.004 582 1HD1 LEU 69 1HD1 LEU 69 -5.152 -0.192 9.820 583 2HD1 LEU 69 2HD1 LEU 69 -6.722 0.149 10.564 584 3HD1 LEU 69 3HD1 LEU 69 -5.474 -0.698 11.481 585 1HD2 LEU 69 1HD2 LEU 69 -3.942 1.248 9.458 586 2HD2 LEU 69 2HD2 LEU 69 -3.666 2.714 10.389 587 3HD2 LEU 69 3HD2 LEU 69 -5.136 2.543 9.426 588 H HIS 70 H HIS 70 -9.008 3.988 10.703 589 HA HIS 70 HA HIS 70 -9.387 6.472 11.872 590 1HB HIS 70 2HB HIS 70 -11.655 5.453 12.653 591 2HB HIS 70 1HB HIS 70 -11.325 5.490 10.921 592 HD1 HIS 70 HD1 HIS 70 -10.830 3.080 13.845 593 HD2 HIS 70 HD2 HIS 70 -11.570 3.009 9.743 594 HE1 HIS 70 HE1 HIS 70 -11.145 0.647 13.216 595 H ALA 71 H ALA 71 -8.785 3.377 13.224 596 HA ALA 71 HA ALA 71 -9.197 4.087 15.983 597 1HB ALA 71 1HB ALA 71 -9.136 1.710 14.963 598 2HB ALA 71 2HB ALA 71 -8.286 1.950 16.490 599 3HB ALA 71 3HB ALA 71 -7.381 1.888 14.977 600 H GLY 72 H GLY 72 -6.543 3.009 16.815 601 1HA GLY 72 2HA GLY 72 -4.970 5.439 16.208 602 2HA GLY 72 1HA GLY 72 -4.922 4.586 17.751 603 H ASP 73 H ASP 73 -4.718 3.501 14.410 604 HA ASP 73 HA ASP 73 -2.083 2.335 15.102 605 1HB ASP 73 2HB ASP 73 -3.177 0.651 13.145 606 2HB ASP 73 1HB ASP 73 -2.927 0.277 14.838 607 H THR 74 H THR 74 -0.530 2.642 13.655 608 HA THR 74 HA THR 74 -1.301 4.063 11.188 609 HB THR 74 HB THR 74 1.535 4.023 12.039 610 HG1 THR 74 HG1 THR 74 -0.499 5.429 13.428 611 1HG2 THR 74 1HG2 THR 74 -0.426 5.849 10.725 612 2HG2 THR 74 2HG2 THR 74 1.221 5.436 10.245 613 3HG2 THR 74 3HG2 THR 74 0.945 6.580 11.559 614 H THR 75 H THR 75 -0.187 3.504 9.238 615 HA THR 75 HA THR 75 0.998 0.807 9.295 616 HB THR 75 HB THR 75 -0.471 1.875 6.900 617 HG1 THR 75 HG1 THR 75 -1.597 0.715 9.221 618 1HG2 THR 75 1HG2 THR 75 -0.083 -0.901 8.055 619 2HG2 THR 75 2HG2 THR 75 0.874 -0.195 6.752 620 3HG2 THR 75 3HG2 THR 75 -0.842 -0.523 6.508 621 H ASN 76 H ASN 76 3.182 1.225 8.846 622 HA ASN 76 HA ASN 76 3.715 3.481 7.017 623 1HB ASN 76 2HB ASN 76 5.584 2.101 8.962 624 2HB ASN 76 1HB ASN 76 5.935 3.546 8.015 625 1HD2 ASN 76 1HD2 ASN 76 5.717 5.425 9.234 626 2HD2 ASN 76 2HD2 ASN 76 4.612 5.645 10.503 627 H PHE 77 H PHE 77 4.756 3.023 5.095 628 HA PHE 77 HA PHE 77 5.936 0.346 4.888 629 1HB PHE 77 2HB PHE 77 3.431 1.111 3.714 630 2HB PHE 77 1HB PHE 77 4.600 0.776 2.439 631 HD1 PHE 77 HD1 PHE 77 6.304 -1.225 3.382 632 HD2 PHE 77 HD2 PHE 77 2.104 -0.824 4.188 633 HE1 PHE 77 HE1 PHE 77 6.168 -3.636 3.801 634 HE2 PHE 77 HE2 PHE 77 1.959 -3.252 4.592 635 HZ PHE 77 HZ PHE 77 4.028 -4.642 4.397 636 H HIS 78 H HIS 78 7.433 0.133 3.277 637 HA HIS 78 HA HIS 78 8.246 2.566 1.828 638 1HB HIS 78 2HB HIS 78 9.523 2.632 3.945 639 2HB HIS 78 1HB HIS 78 10.160 1.022 3.619 640 HD1 HIS 78 HD1 HIS 78 12.012 0.790 1.906 641 HD2 HIS 78 HD2 HIS 78 10.576 4.704 2.111 642 HE1 HIS 78 HE1 HIS 78 13.550 2.207 0.496 643 H PHE 79 H PHE 79 9.522 2.196 0.116 644 HA PHE 79 HA PHE 79 9.432 -0.597 -0.859 645 1HB PHE 79 2HB PHE 79 9.375 2.069 -2.182 646 2HB PHE 79 1HB PHE 79 9.727 0.619 -3.092 647 HD1 PHE 79 HD1 PHE 79 7.232 2.538 -1.244 648 HD2 PHE 79 HD2 PHE 79 7.953 -1.162 -3.302 649 HE1 PHE 79 HE1 PHE 79 4.788 2.128 -1.324 650 HE2 PHE 79 HE2 PHE 79 5.516 -1.576 -3.389 651 HZ PHE 79 HZ PHE 79 3.938 0.038 -2.411 652 H SER 80 H SER 80 11.137 -1.442 -1.937 653 HA SER 80 HA SER 80 13.576 -0.133 -2.493 654 1HB SER 80 2HB SER 80 13.375 -0.151 0.123 655 2HB SER 80 1HB SER 80 14.052 -1.772 -0.066 656 HG SER 80 HG SER 80 15.827 -0.913 -1.040 657 H ASN 81 H ASN 81 14.144 -1.347 -4.176 658 HA ASN 81 HA ASN 81 14.679 -4.193 -3.667 659 1HB ASN 81 2HB ASN 81 13.416 -3.290 -6.252 660 2HB ASN 81 1HB ASN 81 13.582 -4.930 -5.632 661 1HD2 ASN 81 1HD2 ASN 81 12.725 -4.358 -2.921 662 2HD2 ASN 81 2HD2 ASN 81 11.078 -3.977 -2.964 663 H GLU 82 H GLU 82 16.137 -5.057 -5.446 664 HA GLU 82 HA GLU 82 18.442 -3.587 -5.685 665 1HB GLU 82 2HB GLU 82 18.960 -5.040 -7.658 666 2HB GLU 82 1HB GLU 82 18.372 -5.946 -6.263 667 1HG GLU 82 2HG GLU 82 16.247 -6.284 -7.222 668 2HG GLU 82 1HG GLU 82 16.463 -4.973 -8.382 669 H SER 83 H SER 83 15.513 -3.319 -7.598 670 HA SER 83 HA SER 83 16.676 -0.922 -8.817 671 1HB SER 83 2HB SER 83 15.341 -2.493 -10.858 672 2HB SER 83 1HB SER 83 16.922 -1.718 -10.890 673 HG SER 83 HG SER 83 16.407 -4.276 -10.682 674 H THR 84 H THR 84 14.122 -1.775 -7.062 675 HA THR 84 HA THR 84 12.285 -0.332 -8.865 676 HB THR 84 HB THR 84 11.991 -2.798 -7.260 677 HG1 THR 84 HG1 THR 84 10.310 -1.776 -9.269 678 1HG2 THR 84 1HG2 THR 84 9.542 -2.380 -6.882 679 2HG2 THR 84 2HG2 THR 84 9.840 -0.682 -7.231 680 3HG2 THR 84 3HG2 THR 84 10.603 -1.437 -5.837 681 H ALA 85 H ALA 85 14.245 0.756 -7.041 682 HA ALA 85 HA ALA 85 12.575 1.826 -4.873 683 1HB ALA 85 1HB ALA 85 15.141 1.049 -4.717 684 2HB ALA 85 2HB ALA 85 14.511 2.373 -3.737 685 3HB ALA 85 3HB ALA 85 15.401 2.719 -5.220 686 H VAL 86 H VAL 86 11.706 2.609 -7.304 687 HA VAL 86 HA VAL 86 12.230 5.478 -7.197 688 HB VAL 86 HB VAL 86 12.478 4.278 -9.924 689 1HG1 VAL 86 1HG1 VAL 86 14.200 6.466 -8.877 690 2HG1 VAL 86 2HG1 VAL 86 12.477 6.817 -9.014 691 3HG1 VAL 86 3HG1 VAL 86 13.391 6.318 -10.437 692 1HG2 VAL 86 1HG2 VAL 86 14.031 2.953 -8.501 693 2HG2 VAL 86 2HG2 VAL 86 14.755 4.453 -7.921 694 3HG2 VAL 86 3HG2 VAL 86 14.902 4.002 -9.620 695 H LYS 87 H LYS 87 11.124 5.610 -10.049 696 HA LYS 87 HA LYS 87 8.488 6.225 -9.527 697 1HB LYS 87 2HB LYS 87 9.829 5.283 -12.061 698 2HB LYS 87 1HB LYS 87 8.169 5.878 -12.010 699 1HG LYS 87 2HG LYS 87 9.644 7.786 -10.586 700 2HG LYS 87 1HG LYS 87 10.657 7.383 -11.973 701 1HD LYS 87 2HD LYS 87 9.249 9.122 -12.758 702 2HD LYS 87 1HD LYS 87 8.516 7.645 -13.386 703 1HE LYS 87 2HE LYS 87 7.312 7.842 -10.934 704 2HE LYS 87 1HE LYS 87 7.493 9.541 -11.370 705 1HZ LYS 87 1HZ LYS 87 6.626 8.434 -13.617 706 2HZ LYS 87 2HZ LYS 87 5.678 9.160 -12.552 707 3HZ LYS 87 3HZ LYS 87 5.828 7.567 -12.533 708 H GLU 88 H GLU 88 9.917 3.150 -9.732 709 HA GLU 88 HA GLU 88 7.821 1.566 -10.729 710 1HB GLU 88 2HB GLU 88 9.460 0.594 -8.408 711 2HB GLU 88 1HB GLU 88 9.011 -0.257 -9.861 712 1HG GLU 88 2HG GLU 88 10.583 1.906 -10.709 713 2HG GLU 88 1HG GLU 88 11.379 1.278 -9.278 714 H ARG 89 H ARG 89 8.640 1.731 -7.287 715 HA ARG 89 HA ARG 89 5.971 1.116 -6.529 716 1HB ARG 89 2HB ARG 89 8.103 2.356 -4.792 717 2HB ARG 89 1HB ARG 89 6.782 1.295 -4.303 718 1HG ARG 89 2HG ARG 89 9.123 0.522 -6.071 719 2HG ARG 89 1HG ARG 89 8.899 0.029 -4.410 720 1HD ARG 89 2HD ARG 89 7.894 -1.797 -5.268 721 2HD ARG 89 1HD ARG 89 6.512 -0.731 -5.538 722 HE ARG 89 HE ARG 89 7.990 -0.331 -7.759 723 1HH1 ARG 89 1HH2 ARG 89 6.948 -3.148 -6.053 724 2HH1 ARG 89 2HH2 ARG 89 6.770 -4.102 -7.485 725 1HH2 ARG 89 1HH1 ARG 89 7.745 -1.575 -9.631 726 2HH2 ARG 89 2HH1 ARG 89 7.218 -3.218 -9.499 727 H ASP 90 H ASP 90 7.917 3.999 -6.948 728 HA ASP 90 HA ASP 90 6.399 5.964 -5.737 729 1HB ASP 90 2HB ASP 90 8.344 6.026 -7.671 730 2HB ASP 90 1HB ASP 90 6.937 6.618 -8.556 731 H ALA 91 H ALA 91 5.712 4.425 -8.904 732 HA ALA 91 HA ALA 91 3.221 5.666 -9.320 733 1HB ALA 91 1HB ALA 91 4.416 3.017 -10.144 734 2HB ALA 91 2HB ALA 91 4.045 4.416 -11.152 735 3HB ALA 91 3HB ALA 91 2.740 3.406 -10.532 736 H VAL 92 H VAL 92 4.037 2.493 -7.843 737 HA VAL 92 HA VAL 92 1.565 1.669 -6.923 738 HB VAL 92 HB VAL 92 4.167 1.712 -5.356 739 1HG1 VAL 92 1HG1 VAL 92 2.674 -0.214 -4.158 740 2HG1 VAL 92 2HG1 VAL 92 1.420 0.963 -4.545 741 3HG1 VAL 92 3HG1 VAL 92 2.797 1.439 -3.553 742 1HG2 VAL 92 1HG2 VAL 92 2.709 -0.284 -7.060 743 2HG2 VAL 92 2HG2 VAL 92 3.760 -0.840 -5.752 744 3HG2 VAL 92 3HG2 VAL 92 4.423 0.141 -7.063 745 H LYS 93 H LYS 93 3.683 3.954 -5.206 746 HA LYS 93 HA LYS 93 1.963 4.717 -3.174 747 1HB LYS 93 2HB LYS 93 3.843 5.906 -2.775 748 2HB LYS 93 1HB LYS 93 4.382 5.679 -4.432 749 1HG LYS 93 2HG LYS 93 2.793 7.601 -5.049 750 2HG LYS 93 1HG LYS 93 2.695 7.922 -3.317 751 1HD LYS 93 2HD LYS 93 4.637 9.037 -3.434 752 2HD LYS 93 1HD LYS 93 5.439 7.561 -3.965 753 1HE LYS 93 2HE LYS 93 5.281 8.115 -6.213 754 2HE LYS 93 1HE LYS 93 3.853 9.121 -5.972 755 1HZ LYS 93 1HZ LYS 93 6.041 10.264 -6.368 756 2HZ LYS 93 2HZ LYS 93 6.422 9.882 -4.861 757 3HZ LYS 93 3HZ LYS 93 5.153 10.812 -5.153 758 H ASP 94 H ASP 94 2.289 6.101 -6.457 759 HA ASP 94 HA ASP 94 0.387 8.054 -6.529 760 1HB ASP 94 2HB ASP 94 1.764 6.675 -8.435 761 2HB ASP 94 1HB ASP 94 0.126 6.083 -8.719 762 H LEU 95 H LEU 95 -0.308 4.673 -7.311 763 HA LEU 95 HA LEU 95 -3.027 4.663 -7.335 764 1HB LEU 95 2HB LEU 95 -1.779 2.534 -5.653 765 2HB LEU 95 1HB LEU 95 -2.966 2.387 -6.947 766 HG LEU 95 HG LEU 95 0.001 2.918 -7.249 767 1HD1 LEU 95 1HD1 LEU 95 -1.615 0.681 -8.448 768 2HD1 LEU 95 2HD1 LEU 95 -1.023 0.568 -6.791 769 3HD1 LEU 95 3HD1 LEU 95 0.118 0.744 -8.124 770 1HD2 LEU 95 1HD2 LEU 95 -0.750 2.593 -9.760 771 2HD2 LEU 95 2HD2 LEU 95 -0.906 4.179 -9.005 772 3HD2 LEU 95 3HD2 LEU 95 -2.317 3.132 -9.159 773 H LEU 96 H LEU 96 -1.083 4.177 -4.333 774 HA LEU 96 HA LEU 96 -2.994 4.080 -2.427 775 1HB LEU 96 2HB LEU 96 -0.626 5.970 -2.274 776 2HB LEU 96 1HB LEU 96 -1.465 5.222 -0.920 777 HG LEU 96 HG LEU 96 0.310 3.913 -2.978 778 1HD1 LEU 96 1HD1 LEU 96 1.398 3.018 -0.953 779 2HD1 LEU 96 2HD1 LEU 96 0.195 3.826 0.053 780 3HD1 LEU 96 3HD1 LEU 96 1.330 4.780 -0.902 781 1HD2 LEU 96 1HD2 LEU 96 -0.425 1.734 -2.129 782 2HD2 LEU 96 2HD2 LEU 96 -1.800 2.609 -2.805 783 3HD2 LEU 96 3HD2 LEU 96 -1.583 2.522 -1.057 784 H GLN 97 H GLN 97 -1.646 7.271 -3.309 785 HA GLN 97 HA GLN 97 -3.923 8.621 -2.185 786 1HB GLN 97 2HB GLN 97 -3.069 10.629 -3.123 787 2HB GLN 97 1HB GLN 97 -1.704 9.725 -2.483 788 1HG GLN 97 2HG GLN 97 -2.236 9.009 -5.241 789 2HG GLN 97 1HG GLN 97 -1.999 10.752 -5.083 790 1HE2 GLN 97 1HE2 GLN 97 -0.489 7.621 -4.615 791 2HE2 GLN 97 2HE2 GLN 97 1.081 8.196 -4.378 792 H GLN 98 H GLN 98 -3.769 6.803 -4.870 793 HA GLN 98 HA GLN 98 -5.518 8.424 -6.536 794 1HB GLN 98 2HB GLN 98 -3.588 6.771 -7.273 795 2HB GLN 98 1HB GLN 98 -4.852 5.554 -7.086 796 1HG GLN 98 2HG GLN 98 -6.014 7.751 -8.467 797 2HG GLN 98 1HG GLN 98 -4.471 7.403 -9.249 798 1HE2 GLN 98 1HE2 GLN 98 -4.140 5.149 -10.052 799 2HE2 GLN 98 2HE2 GLN 98 -5.484 4.177 -10.410 800 H LEU 99 H LEU 99 -5.597 5.551 -4.439 801 HA LEU 99 HA LEU 99 -8.439 5.121 -5.020 802 1HB LEU 99 2HB LEU 99 -7.302 3.752 -2.679 803 2HB LEU 99 1HB LEU 99 -8.167 3.067 -4.036 804 HG LEU 99 HG LEU 99 -5.793 3.799 -5.202 805 1HD1 LEU 99 1HD1 LEU 99 -5.482 3.443 -2.287 806 2HD1 LEU 99 2HD1 LEU 99 -4.482 4.309 -3.427 807 3HD1 LEU 99 3HD1 LEU 99 -4.317 2.567 -3.282 808 1HD2 LEU 99 1HD2 LEU 99 -7.133 1.370 -4.333 809 2HD2 LEU 99 2HD2 LEU 99 -5.381 1.201 -4.210 810 3HD2 LEU 99 3HD2 LEU 99 -6.121 1.630 -5.754 811 H LEU 100 H LEU 100 -6.384 6.653 -2.691 812 HA LEU 100 HA LEU 100 -7.758 6.705 -0.401 813 1HB LEU 100 2HB LEU 100 -5.802 8.354 -1.591 814 2HB LEU 100 1HB LEU 100 -7.067 9.442 -1.024 815 HG LEU 100 HG LEU 100 -5.580 7.374 0.611 816 1HD1 LEU 100 1HD1 LEU 100 -4.205 9.140 0.929 817 2HD1 LEU 100 2HD1 LEU 100 -5.522 9.878 1.840 818 3HD1 LEU 100 3HD1 LEU 100 -5.323 10.241 0.126 819 1HD2 LEU 100 1HD2 LEU 100 -8.239 8.100 0.927 820 2HD2 LEU 100 2HD2 LEU 100 -7.397 9.212 2.004 821 3HD2 LEU 100 3HD2 LEU 100 -7.197 7.472 2.202 822 HA PRO 101 HA PRO 101 -10.723 9.947 -2.379 823 1HB PRO 101 2HB PRO 101 -10.440 9.148 -5.217 824 2HB PRO 101 1HB PRO 101 -10.571 10.773 -4.528 825 1HG PRO 101 2HG PRO 101 -8.245 9.685 -5.502 826 2HG PRO 101 1HG PRO 101 -8.290 10.947 -4.258 827 1HD PRO 101 2HD PRO 101 -7.561 8.129 -3.991 828 2HD PRO 101 1HD PRO 101 -7.313 9.466 -2.854 829 H LYS 102 H LYS 102 -10.483 6.660 -2.660 830 HA LYS 102 HA LYS 102 -13.099 6.253 -3.917 831 1HB LYS 102 2HB LYS 102 -11.424 4.778 -4.717 832 2HB LYS 102 1HB LYS 102 -10.824 4.465 -3.089 833 1HG LYS 102 2HG LYS 102 -12.405 2.902 -2.650 834 2HG LYS 102 1HG LYS 102 -13.664 3.774 -3.532 835 1HD LYS 102 2HD LYS 102 -12.253 3.108 -5.646 836 2HD LYS 102 1HD LYS 102 -11.589 1.870 -4.580 837 1HE LYS 102 2HE LYS 102 -14.359 1.796 -4.134 838 2HE LYS 102 1HE LYS 102 -14.183 1.963 -5.881 839 1HZ LYS 102 1HZ LYS 102 -13.906 -0.236 -5.682 840 2HZ LYS 102 2HZ LYS 102 -13.355 -0.189 -4.181 841 3HZ LYS 102 3HZ LYS 102 -12.380 0.159 -5.401 842 H PHE 103 H PHE 103 -11.487 5.529 -0.805 843 HA PHE 103 HA PHE 103 -13.747 4.163 0.202 844 1HB PHE 103 2HB PHE 103 -12.192 5.320 2.365 845 2HB PHE 103 1HB PHE 103 -12.427 3.634 1.933 846 HD1 PHE 103 HD1 PHE 103 -11.286 3.243 -0.610 847 HD2 PHE 103 HD2 PHE 103 -9.929 5.837 2.536 848 HE1 PHE 103 HE1 PHE 103 -9.009 3.167 -1.544 849 HE2 PHE 103 HE2 PHE 103 -7.628 5.748 1.612 850 HZ PHE 103 HZ PHE 103 -7.166 4.415 -0.432 851 H LYS 104 H LYS 104 -13.380 7.393 -0.437 852 HA LYS 104 HA LYS 104 -15.078 8.305 1.769 853 1HB LYS 104 2HB LYS 104 -13.787 9.567 -0.648 854 2HB LYS 104 1HB LYS 104 -15.160 10.368 0.117 855 1HG LYS 104 2HG LYS 104 -12.995 11.166 1.037 856 2HG LYS 104 1HG LYS 104 -13.986 10.384 2.269 857 1HD LYS 104 2HD LYS 104 -12.649 8.465 2.317 858 2HD LYS 104 1HD LYS 104 -11.997 8.761 0.705 859 1HE LYS 104 2HE LYS 104 -10.188 9.593 1.791 860 2HE LYS 104 1HE LYS 104 -11.195 11.013 2.076 861 1HZ LYS 104 1HZ LYS 104 -11.032 10.538 4.198 862 2HZ LYS 104 2HZ LYS 104 -10.256 9.165 3.929 863 3HZ LYS 104 3HZ LYS 104 -11.856 9.183 3.978 864 H ARG 105 H ARG 105 -17.143 9.721 0.370 865 HA ARG 105 HA ARG 105 -18.373 7.432 -0.996 866 1HB ARG 105 2HB ARG 105 -19.309 9.557 0.770 867 2HB ARG 105 1HB ARG 105 -20.270 9.456 -0.706 868 1HG ARG 105 2HG ARG 105 -19.619 7.123 1.118 869 2HG ARG 105 1HG ARG 105 -21.166 7.969 1.063 870 1HD ARG 105 2HD ARG 105 -20.708 7.362 -1.591 871 2HD ARG 105 1HD ARG 105 -20.076 5.941 -0.764 872 HE ARG 105 HE ARG 105 -22.785 6.521 -1.177 873 1HH1 ARG 105 1HH2 ARG 105 -20.657 5.619 1.403 874 2HH1 ARG 105 2HH2 ARG 105 -21.941 5.098 2.436 875 1HH2 ARG 105 1HH1 ARG 105 -24.444 5.818 0.158 876 2HH2 ARG 105 2HH1 ARG 105 -24.075 5.198 1.733 877 H LYS 106 H LYS 106 -20.259 8.943 -2.494 878 HA LYS 106 HA LYS 106 -18.528 10.565 -4.252 879 1HB LYS 106 2HB LYS 106 -20.387 8.318 -5.078 880 2HB LYS 106 1HB LYS 106 -19.676 9.475 -6.205 881 1HG LYS 106 2HG LYS 106 -17.474 8.715 -5.776 882 2HG LYS 106 1HG LYS 106 -17.963 7.872 -4.306 883 1HD LYS 106 2HD LYS 106 -19.455 6.433 -5.835 884 2HD LYS 106 1HD LYS 106 -18.518 7.100 -7.172 885 1HE LYS 106 2HE LYS 106 -16.666 6.296 -5.167 886 2HE LYS 106 1HE LYS 106 -17.804 4.968 -5.392 887 1HZ LYS 106 1HZ LYS 106 -17.337 5.622 -7.865 888 2HZ LYS 106 2HZ LYS 106 -16.427 4.559 -7.088 889 3HZ LYS 106 3HZ LYS 106 -15.928 6.071 -7.250 890 H ALA 107 H ALA 107 -20.786 11.007 -2.219 891 HA ALA 107 HA ALA 107 -22.767 12.226 -4.031 892 1HB ALA 107 1HB ALA 107 -22.795 11.517 -1.093 893 2HB ALA 107 2HB ALA 107 -23.833 10.889 -2.373 894 3HB ALA 107 3HB ALA 107 -24.024 12.552 -1.820 895 H ASN 108 H ASN 108 -20.643 12.984 -1.268 896 HA ASN 108 HA ASN 108 -20.755 15.803 -2.149 897 1HB ASN 108 2HB ASN 108 -22.003 14.945 0.120 898 2HB ASN 108 1HB ASN 108 -20.399 15.329 0.747 899 1HD2 ASN 108 1HD2 ASN 108 -23.318 16.742 0.484 900 2HD2 ASN 108 2HD2 ASN 108 -22.867 18.353 0.196 Start of MODEL 11 1 1H MET 1 1H MET 1 -16.720 -13.701 -14.291 2 2H MET 1 2H MET 1 -16.917 -13.475 -12.719 3 3H MET 1 3H MET 1 -16.975 -12.227 -13.720 4 HA MET 1 HA MET 1 -19.177 -12.473 -13.460 5 1HB MET 1 2HB MET 1 -18.089 -13.557 -15.828 6 2HB MET 1 1HB MET 1 -19.354 -14.678 -15.322 7 1HG MET 1 2HG MET 1 -19.758 -11.681 -15.484 8 2HG MET 1 1HG MET 1 -20.158 -12.787 -16.799 9 1HE MET 1 1HE MET 1 -21.422 -10.741 -14.401 10 2HE MET 1 2HE MET 1 -23.052 -11.331 -14.089 11 3HE MET 1 3HE MET 1 -22.543 -11.007 -15.744 12 H ALA 2 H ALA 2 -18.043 -15.843 -13.946 13 HA ALA 2 HA ALA 2 -20.129 -16.906 -12.317 14 1HB ALA 2 1HB ALA 2 -18.701 -18.994 -12.399 15 2HB ALA 2 2HB ALA 2 -17.509 -18.061 -13.303 16 3HB ALA 2 3HB ALA 2 -19.116 -18.327 -13.978 17 H THR 3 H THR 3 -16.620 -17.183 -11.678 18 HA THR 3 HA THR 3 -17.213 -17.147 -8.817 19 HB THR 3 HB THR 3 -15.613 -18.757 -9.998 20 HG1 THR 3 HG1 THR 3 -14.543 -17.213 -7.881 21 1HG2 THR 3 1HG2 THR 3 -14.457 -17.104 -11.388 22 2HG2 THR 3 2HG2 THR 3 -13.311 -17.905 -10.313 23 3HG2 THR 3 3HG2 THR 3 -13.878 -16.277 -9.942 24 H SER 4 H SER 4 -17.438 -14.722 -10.547 25 HA SER 4 HA SER 4 -15.380 -12.917 -10.343 26 1HB SER 4 2HB SER 4 -17.173 -11.896 -11.334 27 2HB SER 4 1HB SER 4 -18.340 -12.727 -10.310 28 HG SER 4 HG SER 4 -18.257 -10.537 -9.773 29 H SER 5 H SER 5 -14.107 -13.111 -8.478 30 HA SER 5 HA SER 5 -15.454 -12.819 -5.884 31 1HB SER 5 2HB SER 5 -12.499 -13.212 -6.347 32 2HB SER 5 1HB SER 5 -13.438 -13.593 -4.908 33 HG SER 5 HG SER 5 -14.486 -15.213 -6.105 34 H GLU 6 H GLU 6 -12.889 -11.646 -4.805 35 HA GLU 6 HA GLU 6 -13.655 -8.919 -5.004 36 1HB GLU 6 2HB GLU 6 -10.956 -9.944 -4.117 37 2HB GLU 6 1HB GLU 6 -11.771 -8.463 -3.614 38 1HG GLU 6 2HG GLU 6 -12.716 -9.590 -1.915 39 2HG GLU 6 1HG GLU 6 -13.563 -10.592 -3.092 40 H GLU 7 H GLU 7 -12.188 -7.194 -5.792 41 HA GLU 7 HA GLU 7 -10.723 -8.075 -8.216 42 1HB GLU 7 2HB GLU 7 -12.150 -5.427 -7.865 43 2HB GLU 7 1HB GLU 7 -11.453 -6.083 -9.346 44 1HG GLU 7 2HG GLU 7 -13.170 -8.093 -8.592 45 2HG GLU 7 1HG GLU 7 -14.053 -6.651 -8.090 46 H VAL 8 H VAL 8 -8.495 -7.801 -7.689 47 HA VAL 8 HA VAL 8 -7.872 -5.615 -5.870 48 HB VAL 8 HB VAL 8 -6.064 -6.879 -5.231 49 1HG1 VAL 8 1HG1 VAL 8 -8.228 -8.376 -5.441 50 2HG1 VAL 8 2HG1 VAL 8 -6.679 -9.117 -5.034 51 3HG1 VAL 8 3HG1 VAL 8 -7.289 -9.200 -6.686 52 1HG2 VAL 8 1HG2 VAL 8 -5.860 -7.606 -8.153 53 2HG2 VAL 8 2HG2 VAL 8 -4.950 -8.508 -6.941 54 3HG2 VAL 8 3HG2 VAL 8 -4.680 -6.776 -7.138 55 H LEU 9 H LEU 9 -6.162 -4.143 -6.407 56 HA LEU 9 HA LEU 9 -6.211 -3.539 -9.277 57 1HB LEU 9 2HB LEU 9 -6.887 -1.722 -7.901 58 2HB LEU 9 1HB LEU 9 -5.494 -1.917 -6.837 59 HG LEU 9 HG LEU 9 -3.978 -1.239 -8.608 60 1HD1 LEU 9 1HD1 LEU 9 -4.752 -0.677 -10.836 61 2HD1 LEU 9 2HD1 LEU 9 -6.432 -0.931 -10.362 62 3HD1 LEU 9 3HD1 LEU 9 -5.324 -2.300 -10.451 63 1HD2 LEU 9 1HD2 LEU 9 -5.401 0.477 -7.264 64 2HD2 LEU 9 2HD2 LEU 9 -6.273 0.712 -8.779 65 3HD2 LEU 9 3HD2 LEU 9 -4.544 1.051 -8.695 66 H LEU 10 H LEU 10 -3.682 -4.356 -6.784 67 HA LEU 10 HA LEU 10 -1.927 -5.033 -8.905 68 1HB LEU 10 2HB LEU 10 -1.809 -2.667 -9.364 69 2HB LEU 10 1HB LEU 10 -1.499 -2.307 -7.666 70 HG LEU 10 HG LEU 10 0.354 -4.242 -8.943 71 1HD1 LEU 10 1HD1 LEU 10 -0.209 -2.179 -10.538 72 2HD1 LEU 10 2HD1 LEU 10 1.443 -2.768 -10.350 73 3HD1 LEU 10 3HD1 LEU 10 0.904 -1.349 -9.452 74 1HD2 LEU 10 1HD2 LEU 10 1.813 -2.289 -7.686 75 2HD2 LEU 10 2HD2 LEU 10 1.192 -3.732 -6.885 76 3HD2 LEU 10 3HD2 LEU 10 0.295 -2.217 -6.792 77 H ILE 11 H ILE 11 0.055 -5.901 -8.144 78 HA ILE 11 HA ILE 11 0.370 -5.882 -5.213 79 HB ILE 11 HB ILE 11 -0.537 -8.013 -5.538 80 1HG1 ILE 11 2HG1 ILE 11 1.921 -7.976 -4.639 81 2HG1 ILE 11 1HG1 ILE 11 1.216 -9.517 -5.087 82 1HG2 ILE 11 1HG2 ILE 11 0.080 -9.435 -7.520 83 2HG2 ILE 11 2HG2 ILE 11 0.976 -8.056 -8.160 84 3HG2 ILE 11 3HG2 ILE 11 -0.771 -7.948 -7.939 85 1HD1 ILE 11 1HD1 ILE 11 3.604 -8.416 -6.072 86 2HD1 ILE 11 2HD1 ILE 11 2.448 -8.282 -7.395 87 3HD1 ILE 11 3HD1 ILE 11 2.775 -9.853 -6.670 88 H VAL 12 H VAL 12 2.463 -5.628 -4.571 89 HA VAL 12 HA VAL 12 4.550 -5.808 -6.657 90 HB VAL 12 HB VAL 12 5.657 -3.921 -5.221 91 1HG1 VAL 12 1HG1 VAL 12 4.264 -2.199 -6.546 92 2HG1 VAL 12 2HG1 VAL 12 3.368 -3.588 -7.162 93 3HG1 VAL 12 3HG1 VAL 12 5.098 -3.446 -7.475 94 1HG2 VAL 12 1HG2 VAL 12 3.742 -2.369 -4.415 95 2HG2 VAL 12 2HG2 VAL 12 4.195 -3.721 -3.381 96 3HG2 VAL 12 3HG2 VAL 12 2.756 -3.826 -4.395 97 H LYS 13 H LYS 13 6.064 -7.275 -6.044 98 HA LYS 13 HA LYS 13 5.883 -8.534 -3.496 99 1HB LYS 13 2HB LYS 13 7.486 -8.813 -5.902 100 2HB LYS 13 1HB LYS 13 8.459 -9.034 -4.447 101 1HG LYS 13 2HG LYS 13 6.194 -10.446 -3.813 102 2HG LYS 13 1HG LYS 13 6.319 -10.732 -5.548 103 1HD LYS 13 2HD LYS 13 8.944 -10.973 -4.571 104 2HD LYS 13 1HD LYS 13 7.932 -11.824 -3.403 105 1HE LYS 13 2HE LYS 13 7.836 -12.257 -6.402 106 2HE LYS 13 1HE LYS 13 8.682 -13.304 -5.263 107 1HZ LYS 13 1HZ LYS 13 6.461 -14.075 -5.765 108 2HZ LYS 13 2HZ LYS 13 5.824 -12.731 -5.175 109 3HZ LYS 13 3HZ LYS 13 6.609 -13.735 -4.207 110 H LYS 14 H LYS 14 8.941 -7.186 -4.545 111 HA LYS 14 HA LYS 14 9.897 -6.680 -2.094 112 1HB LYS 14 2HB LYS 14 10.476 -5.672 -4.770 113 2HB LYS 14 1HB LYS 14 10.846 -4.486 -3.517 114 1HG LYS 14 2HG LYS 14 12.728 -6.111 -4.073 115 2HG LYS 14 1HG LYS 14 12.291 -6.005 -2.366 116 1HD LYS 14 2HD LYS 14 11.160 -8.067 -2.397 117 2HD LYS 14 1HD LYS 14 10.999 -8.057 -4.154 118 1HE LYS 14 2HE LYS 14 13.662 -8.033 -4.035 119 2HE LYS 14 1HE LYS 14 13.358 -8.785 -2.470 120 1HZ LYS 14 1HZ LYS 14 12.048 -10.423 -3.594 121 2HZ LYS 14 2HZ LYS 14 13.519 -10.401 -4.224 122 3HZ LYS 14 3HZ LYS 14 12.300 -9.733 -5.017 123 H VAL 15 H VAL 15 9.203 -5.613 -0.461 124 HA VAL 15 HA VAL 15 8.472 -2.829 -0.816 125 HB VAL 15 HB VAL 15 6.418 -4.706 0.347 126 1HG1 VAL 15 1HG1 VAL 15 6.446 -1.686 0.474 127 2HG1 VAL 15 2HG1 VAL 15 6.857 -2.717 1.844 128 3HG1 VAL 15 3HG1 VAL 15 5.235 -2.770 1.153 129 1HG2 VAL 15 1HG2 VAL 15 5.738 -4.449 -1.802 130 2HG2 VAL 15 2HG2 VAL 15 6.802 -3.075 -2.050 131 3HG2 VAL 15 3HG2 VAL 15 5.243 -2.839 -1.279 132 H ARG 16 H ARG 16 8.870 -1.600 0.951 133 HA ARG 16 HA ARG 16 10.225 -2.981 3.182 134 1HB ARG 16 2HB ARG 16 11.946 -1.906 1.963 135 2HB ARG 16 1HB ARG 16 10.922 -0.554 1.542 136 1HG ARG 16 2HG ARG 16 11.463 0.578 3.411 137 2HG ARG 16 1HG ARG 16 11.194 -0.829 4.431 138 1HD ARG 16 2HD ARG 16 13.711 0.076 3.063 139 2HD ARG 16 1HD ARG 16 13.484 -0.464 4.725 140 HE ARG 16 HE ARG 16 12.947 -2.702 3.265 141 1HH1 ARG 16 1HH2 ARG 16 15.493 -0.365 3.417 142 2HH1 ARG 16 2HH2 ARG 16 16.719 -1.479 2.916 143 1HH2 ARG 16 1HH1 ARG 16 14.550 -4.158 2.596 144 2HH2 ARG 16 2HH1 ARG 16 16.189 -3.618 2.457 145 H GLN 17 H GLN 17 9.579 -2.346 5.152 146 HA GLN 17 HA GLN 17 8.130 0.173 5.386 147 1HB GLN 17 2HB GLN 17 6.181 -0.766 6.328 148 2HB GLN 17 1HB GLN 17 6.518 -1.822 4.967 149 1HG GLN 17 2HG GLN 17 7.457 -3.490 6.393 150 2HG GLN 17 1HG GLN 17 7.465 -2.393 7.770 151 1HE2 GLN 17 1HE2 GLN 17 5.479 -4.580 5.899 152 2HE2 GLN 17 2HE2 GLN 17 4.068 -4.404 6.827 153 H LYS 18 H LYS 18 8.793 1.146 7.218 154 HA LYS 18 HA LYS 18 11.041 0.674 8.509 155 1HB LYS 18 2HB LYS 18 8.496 1.839 9.518 156 2HB LYS 18 1HB LYS 18 9.753 1.506 10.710 157 1HG LYS 18 2HG LYS 18 11.170 2.667 8.635 158 2HG LYS 18 1HG LYS 18 9.657 3.573 8.633 159 1HD LYS 18 2HD LYS 18 11.136 4.700 10.156 160 2HD LYS 18 1HD LYS 18 9.941 3.852 11.138 161 1HE LYS 18 2HE LYS 18 11.679 1.901 11.123 162 2HE LYS 18 1HE LYS 18 12.830 3.156 10.665 163 1HZ LYS 18 1HZ LYS 18 12.666 2.873 13.044 164 2HZ LYS 18 2HZ LYS 18 11.113 3.258 13.022 165 3HZ LYS 18 3HZ LYS 18 12.213 4.348 12.618 166 H LYS 19 H LYS 19 8.185 -1.285 9.054 167 HA LYS 19 HA LYS 19 9.278 -2.566 11.383 168 1HB LYS 19 2HB LYS 19 7.199 -3.481 11.524 169 2HB LYS 19 1HB LYS 19 6.762 -2.405 10.208 170 1HG LYS 19 2HG LYS 19 7.125 -4.180 8.556 171 2HG LYS 19 1HG LYS 19 7.821 -5.225 9.788 172 1HD LYS 19 2HD LYS 19 5.050 -4.173 10.171 173 2HD LYS 19 1HD LYS 19 5.313 -5.485 9.017 174 1HE LYS 19 2HE LYS 19 5.675 -6.997 10.666 175 2HE LYS 19 1HE LYS 19 6.720 -5.894 11.562 176 1HZ LYS 19 1HZ LYS 19 3.805 -5.910 11.580 177 2HZ LYS 19 2HZ LYS 19 4.694 -4.787 12.293 178 3HZ LYS 19 3HZ LYS 19 4.765 -6.303 12.800 179 H GLN 20 H GLN 20 8.681 -3.666 8.080 180 HA GLN 20 HA GLN 20 11.122 -5.249 8.059 181 1HB GLN 20 2HB GLN 20 8.638 -6.393 8.743 182 2HB GLN 20 1HB GLN 20 8.976 -6.887 7.085 183 1HG GLN 20 2HG GLN 20 11.414 -7.049 8.525 184 2HG GLN 20 1HG GLN 20 10.174 -7.842 9.502 185 1HE2 GLN 20 1HE2 GLN 20 11.622 -9.812 8.786 186 2HE2 GLN 20 2HE2 GLN 20 11.176 -10.577 7.338 187 H ASP 21 H ASP 21 11.337 -6.377 5.896 188 HA ASP 21 HA ASP 21 10.148 -4.643 3.814 189 1HB ASP 21 2HB ASP 21 12.409 -6.564 3.251 190 2HB ASP 21 1HB ASP 21 12.037 -5.037 2.427 191 H GLY 22 H GLY 22 8.776 -5.765 2.507 192 1HA GLY 22 2HA GLY 22 8.609 -8.637 2.602 193 2HA GLY 22 1HA GLY 22 7.361 -7.821 3.505 194 H ALA 23 H ALA 23 6.709 -9.367 1.218 195 HA ALA 23 HA ALA 23 6.403 -7.530 -0.910 196 1HB ALA 23 1HB ALA 23 6.608 -9.649 -1.778 197 2HB ALA 23 2HB ALA 23 4.850 -9.551 -1.686 198 3HB ALA 23 3HB ALA 23 5.754 -10.382 -0.420 199 H LEU 24 H LEU 24 4.840 -6.354 -1.393 200 HA LEU 24 HA LEU 24 2.475 -6.264 0.393 201 1HB LEU 24 2HB LEU 24 4.227 -4.304 -0.722 202 2HB LEU 24 1HB LEU 24 2.609 -3.961 -1.287 203 HG LEU 24 HG LEU 24 3.676 -4.070 1.509 204 1HD1 LEU 24 1HD1 LEU 24 1.897 -1.971 1.202 205 2HD1 LEU 24 2HD1 LEU 24 2.599 -2.113 -0.406 206 3HD1 LEU 24 3HD1 LEU 24 3.643 -1.852 0.986 207 1HD2 LEU 24 1HD2 LEU 24 0.898 -4.639 0.551 208 2HD2 LEU 24 2HD2 LEU 24 1.092 -3.644 1.995 209 3HD2 LEU 24 3HD2 LEU 24 1.751 -5.279 1.956 210 H TYR 25 H TYR 25 0.472 -6.554 -0.348 211 HA TYR 25 HA TYR 25 0.030 -6.912 -3.260 212 1HB TYR 25 2HB TYR 25 -1.098 -8.175 -0.772 213 2HB TYR 25 1HB TYR 25 -2.118 -8.051 -2.199 214 HD1 TYR 25 HD1 TYR 25 0.858 -9.629 -0.731 215 HD2 TYR 25 HD2 TYR 25 -1.596 -9.271 -4.235 216 HE1 TYR 25 HE1 TYR 25 1.895 -11.688 -1.654 217 HE2 TYR 25 HE2 TYR 25 -0.559 -11.331 -5.167 218 HH TYR 25 HH TYR 25 2.261 -12.702 -3.906 219 H LEU 26 H LEU 26 -1.696 -5.499 -4.161 220 HA LEU 26 HA LEU 26 -2.983 -3.847 -2.084 221 1HB LEU 26 2HB LEU 26 -1.346 -2.678 -3.658 222 2HB LEU 26 1HB LEU 26 -2.468 -3.064 -4.963 223 HG LEU 26 HG LEU 26 -3.580 -1.768 -2.512 224 1HD1 LEU 26 1HD1 LEU 26 -1.356 -0.641 -3.666 225 2HD1 LEU 26 2HD1 LEU 26 -2.617 0.266 -2.832 226 3HD1 LEU 26 3HD1 LEU 26 -2.658 0.110 -4.588 227 1HD2 LEU 26 1HD2 LEU 26 -4.651 -0.555 -4.704 228 2HD2 LEU 26 2HD2 LEU 26 -5.302 -2.033 -3.994 229 3HD2 LEU 26 3HD2 LEU 26 -4.221 -2.124 -5.384 230 H MET 27 H MET 27 -5.220 -3.749 -2.200 231 HA MET 27 HA MET 27 -6.512 -4.967 -4.542 232 1HB MET 27 2HB MET 27 -6.465 -6.702 -2.809 233 2HB MET 27 1HB MET 27 -7.103 -5.568 -1.625 234 1HG MET 27 2HG MET 27 -9.222 -5.705 -2.429 235 2HG MET 27 1HG MET 27 -8.697 -5.841 -4.103 236 1HE MET 27 1HE MET 27 -7.729 -7.344 -0.959 237 2HE MET 27 2HE MET 27 -6.884 -8.689 -1.722 238 3HE MET 27 3HE MET 27 -8.401 -8.979 -0.876 239 H ALA 28 H ALA 28 -8.369 -3.825 -5.112 240 HA ALA 28 HA ALA 28 -8.717 -1.206 -4.605 241 1HB ALA 28 1HB ALA 28 -10.213 -2.015 -6.184 242 2HB ALA 28 2HB ALA 28 -11.299 -1.793 -4.813 243 3HB ALA 28 3HB ALA 28 -10.675 -3.402 -5.192 244 H GLU 29 H GLU 29 -10.495 -3.668 -2.760 245 HA GLU 29 HA GLU 29 -11.271 -1.644 -0.879 246 1HB GLU 29 2HB GLU 29 -12.670 -3.635 -1.589 247 2HB GLU 29 1HB GLU 29 -11.633 -4.618 -0.554 248 1HG GLU 29 2HG GLU 29 -13.036 -4.064 1.131 249 2HG GLU 29 1HG GLU 29 -12.291 -2.465 1.070 250 H ARG 30 H ARG 30 -8.490 -3.796 -0.937 251 HA ARG 30 HA ARG 30 -7.819 -2.653 1.638 252 1HB ARG 30 2HB ARG 30 -7.748 -4.599 2.913 253 2HB ARG 30 1HB ARG 30 -9.256 -4.764 2.036 254 1HG ARG 30 2HG ARG 30 -7.102 -5.880 0.486 255 2HG ARG 30 1HG ARG 30 -7.067 -6.542 2.120 256 1HD ARG 30 2HD ARG 30 -8.540 -7.940 0.814 257 2HD ARG 30 1HD ARG 30 -9.545 -6.979 1.893 258 HE ARG 30 HE ARG 30 -9.309 -5.501 -0.453 259 1HH1 ARG 30 1HH2 ARG 30 -10.298 -8.682 0.477 260 2HH1 ARG 30 2HH2 ARG 30 -11.531 -8.795 -0.731 261 1HH2 ARG 30 1HH1 ARG 30 -10.963 -5.630 -2.015 262 2HH2 ARG 30 2HH1 ARG 30 -11.900 -7.079 -2.141 263 H ILE 31 H ILE 31 -5.699 -3.259 2.364 264 HA ILE 31 HA ILE 31 -3.926 -3.956 0.088 265 HB ILE 31 HB ILE 31 -3.924 -1.747 1.962 266 1HG1 ILE 31 2HG1 ILE 31 -2.350 -2.560 -0.489 267 2HG1 ILE 31 1HG1 ILE 31 -3.650 -1.376 -0.375 268 1HG2 ILE 31 1HG2 ILE 31 -2.307 -3.327 3.169 269 2HG2 ILE 31 2HG2 ILE 31 -1.644 -1.759 2.714 270 3HG2 ILE 31 3HG2 ILE 31 -1.264 -3.189 1.755 271 1HD1 ILE 31 1HD1 ILE 31 -2.167 -0.023 1.159 272 2HD1 ILE 31 2HD1 ILE 31 -1.576 -0.154 -0.498 273 3HD1 ILE 31 3HD1 ILE 31 -0.860 -1.143 0.774 274 H ALA 32 H ALA 32 -2.703 -5.783 0.333 275 HA ALA 32 HA ALA 32 -2.704 -7.045 3.011 276 1HB ALA 32 1HB ALA 32 -1.903 -8.836 0.928 277 2HB ALA 32 2HB ALA 32 -3.397 -8.033 0.447 278 3HB ALA 32 3HB ALA 32 -3.326 -8.926 1.966 279 H TRP 33 H TRP 33 -0.830 -8.275 3.606 280 HA TRP 33 HA TRP 33 1.637 -7.427 2.242 281 1HB TRP 33 2HB TRP 33 1.217 -5.897 4.170 282 2HB TRP 33 1HB TRP 33 1.277 -7.296 5.232 283 HD1 TRP 33 HD1 TRP 33 3.505 -6.469 2.213 284 HE1 TRP 33 HE1 TRP 33 5.941 -6.400 3.044 285 HE3 TRP 33 HE3 TRP 33 2.905 -7.394 7.216 286 HZ2 TRP 33 HZ2 TRP 33 7.446 -6.698 5.324 287 HZ3 TRP 33 HZ3 TRP 33 4.902 -7.539 8.673 288 HH2 TRP 33 HH2 TRP 33 7.179 -7.211 7.720 289 H ALA 34 H ALA 34 3.274 -8.886 2.392 290 HA ALA 34 HA ALA 34 3.019 -11.192 4.129 291 1HB ALA 34 1HB ALA 34 1.893 -11.440 1.688 292 2HB ALA 34 2HB ALA 34 2.591 -12.773 2.606 293 3HB ALA 34 3HB ALA 34 3.541 -11.977 1.350 294 HA PRO 35 HA PRO 35 7.348 -10.612 3.460 295 1HB PRO 35 2HB PRO 35 7.992 -11.252 6.142 296 2HB PRO 35 1HB PRO 35 7.788 -9.629 5.468 297 1HG PRO 35 2HG PRO 35 6.027 -11.063 7.285 298 2HG PRO 35 1HG PRO 35 5.923 -9.384 6.745 299 1HD PRO 35 2HD PRO 35 4.278 -11.584 5.929 300 2HD PRO 35 1HD PRO 35 4.212 -9.909 5.349 301 H GLU 36 H GLU 36 9.191 -12.181 4.980 302 HA GLU 36 HA GLU 36 8.739 -14.765 3.715 303 1HB GLU 36 2HB GLU 36 11.038 -15.234 4.350 304 2HB GLU 36 1HB GLU 36 10.963 -13.618 3.648 305 1HG GLU 36 2HG GLU 36 11.597 -12.636 5.584 306 2HG GLU 36 1HG GLU 36 10.482 -13.616 6.536 307 H GLY 37 H GLY 37 6.985 -14.043 5.962 308 1HA GLY 37 2HA GLY 37 7.836 -15.269 8.362 309 2HA GLY 37 1HA GLY 37 6.156 -15.008 7.885 310 H LYS 38 H LYS 38 5.007 -16.876 7.673 311 HA LYS 38 HA LYS 38 6.178 -19.098 6.250 312 1HB LYS 38 2HB LYS 38 7.029 -19.408 8.588 313 2HB LYS 38 1HB LYS 38 5.355 -19.492 9.137 314 1HG LYS 38 2HG LYS 38 5.192 -21.322 7.206 315 2HG LYS 38 1HG LYS 38 6.921 -21.460 7.522 316 1HD LYS 38 2HD LYS 38 5.878 -23.033 8.982 317 2HD LYS 38 1HD LYS 38 6.310 -21.657 9.998 318 1HE LYS 38 2HE LYS 38 3.917 -20.791 9.439 319 2HE LYS 38 1HE LYS 38 3.596 -22.461 8.973 320 1HZ LYS 38 1HZ LYS 38 3.685 -23.098 11.083 321 2HZ LYS 38 2HZ LYS 38 3.413 -21.563 11.443 322 3HZ LYS 38 3HZ LYS 38 4.906 -22.138 11.475 323 H ASP 39 H ASP 39 4.182 -17.896 5.207 324 HA ASP 39 HA ASP 39 2.046 -19.777 5.322 325 1HB ASP 39 2HB ASP 39 1.630 -16.889 6.200 326 2HB ASP 39 1HB ASP 39 0.322 -17.966 5.711 327 H ARG 40 H ARG 40 0.652 -17.105 4.071 328 HA ARG 40 HA ARG 40 2.313 -17.083 1.665 329 1HB ARG 40 2HB ARG 40 -0.549 -16.555 1.254 330 2HB ARG 40 1HB ARG 40 0.560 -17.516 0.280 331 1HG ARG 40 2HG ARG 40 -0.437 -18.516 2.952 332 2HG ARG 40 1HG ARG 40 -1.360 -18.773 1.471 333 1HD ARG 40 2HD ARG 40 1.109 -19.553 0.644 334 2HD ARG 40 1HD ARG 40 1.185 -20.010 2.346 335 HE ARG 40 HE ARG 40 -1.239 -20.967 1.525 336 1HH1 ARG 40 1HH2 ARG 40 2.032 -21.187 0.431 337 2HH1 ARG 40 2HH2 ARG 40 1.838 -22.776 -0.228 338 1HH2 ARG 40 1HH1 ARG 40 -1.499 -23.037 0.668 339 2HH2 ARG 40 2HH1 ARG 40 -0.157 -23.822 -0.094 340 H PHE 41 H PHE 41 -0.228 -15.579 3.482 341 HA PHE 41 HA PHE 41 0.747 -12.917 2.665 342 1HB PHE 41 2HB PHE 41 -1.967 -13.991 3.397 343 2HB PHE 41 1HB PHE 41 -1.612 -12.271 3.566 344 HD1 PHE 41 HD1 PHE 41 -1.885 -15.083 1.199 345 HD2 PHE 41 HD2 PHE 41 -1.242 -10.862 1.661 346 HE1 PHE 41 HE1 PHE 41 -2.191 -14.782 -1.240 347 HE2 PHE 41 HE2 PHE 41 -1.553 -10.557 -0.791 348 HZ PHE 41 HZ PHE 41 -2.021 -12.526 -2.231 349 H THR 42 H THR 42 -0.190 -11.334 4.572 350 HA THR 42 HA THR 42 0.434 -12.540 7.165 351 HB THR 42 HB THR 42 2.442 -11.307 5.865 352 HG1 THR 42 HG1 THR 42 2.107 -12.217 8.137 353 1HG2 THR 42 1HG2 THR 42 1.638 -9.034 7.614 354 2HG2 THR 42 2HG2 THR 42 0.875 -9.139 6.035 355 3HG2 THR 42 3HG2 THR 42 2.621 -9.044 6.152 356 H ILE 43 H ILE 43 -0.706 -9.756 5.342 357 HA ILE 43 HA ILE 43 -2.861 -9.484 7.313 358 HB ILE 43 HB ILE 43 -2.438 -7.011 7.556 359 1HG1 ILE 43 2HG1 ILE 43 0.415 -7.515 6.879 360 2HG1 ILE 43 1HG1 ILE 43 -0.698 -7.297 5.528 361 1HG2 ILE 43 1HG2 ILE 43 -1.069 -7.350 9.426 362 2HG2 ILE 43 2HG2 ILE 43 -0.096 -8.576 8.613 363 3HG2 ILE 43 3HG2 ILE 43 -1.730 -8.962 9.154 364 1HD1 ILE 43 1HD1 ILE 43 -0.962 -5.093 5.957 365 2HD1 ILE 43 2HD1 ILE 43 0.490 -5.251 6.946 366 3HD1 ILE 43 3HD1 ILE 43 -1.104 -5.363 7.694 367 H SER 44 H SER 44 -4.319 -7.598 6.696 368 HA SER 44 HA SER 44 -4.401 -6.756 3.966 369 1HB SER 44 2HB SER 44 -6.631 -8.618 4.762 370 2HB SER 44 1HB SER 44 -6.184 -8.062 3.152 371 HG SER 44 HG SER 44 -5.465 -10.171 3.442 372 H HIS 45 H HIS 45 -5.045 -4.679 4.521 373 HA HIS 45 HA HIS 45 -7.180 -4.467 6.558 374 1HB HIS 45 2HB HIS 45 -6.071 -1.945 5.848 375 2HB HIS 45 1HB HIS 45 -6.063 -2.731 7.422 376 HD1 HIS 45 HD1 HIS 45 -3.784 -3.320 8.269 377 HD2 HIS 45 HD2 HIS 45 -3.856 -2.917 4.130 378 HE1 HIS 45 HE1 HIS 45 -1.381 -3.519 7.496 379 H MET 46 H MET 46 -9.090 -3.748 5.953 380 HA MET 46 HA MET 46 -9.623 -3.135 3.187 381 1HB MET 46 2HB MET 46 -11.197 -3.513 5.659 382 2HB MET 46 1HB MET 46 -11.886 -2.358 4.517 383 1HG MET 46 2HG MET 46 -12.764 -4.245 3.570 384 2HG MET 46 1HG MET 46 -11.178 -4.334 2.805 385 1HE MET 46 1HE MET 46 -12.858 -6.561 6.369 386 2HE MET 46 2HE MET 46 -13.232 -4.948 5.766 387 3HE MET 46 3HE MET 46 -11.841 -5.185 6.821 388 H TYR 47 H TYR 47 -8.886 -1.218 2.431 389 HA TYR 47 HA TYR 47 -7.991 1.012 3.538 390 1HB TYR 47 2HB TYR 47 -9.728 0.631 1.154 391 2HB TYR 47 1HB TYR 47 -9.446 2.282 1.702 392 HD1 TYR 47 HD1 TYR 47 -7.344 3.348 1.310 393 HD2 TYR 47 HD2 TYR 47 -7.699 -0.886 0.723 394 HE1 TYR 47 HE1 TYR 47 -5.111 3.313 0.291 395 HE2 TYR 47 HE2 TYR 47 -5.450 -0.924 -0.298 396 HH TYR 47 HH TYR 47 -3.969 0.930 -1.559 397 H ALA 48 H ALA 48 -11.500 0.277 3.587 398 HA ALA 48 HA ALA 48 -12.259 2.828 4.629 399 1HB ALA 48 1HB ALA 48 -13.998 1.472 3.715 400 2HB ALA 48 2HB ALA 48 -14.289 1.508 5.457 401 3HB ALA 48 3HB ALA 48 -13.542 0.092 4.718 402 H ASP 49 H ASP 49 -11.484 -0.253 6.054 403 HA ASP 49 HA ASP 49 -11.722 0.538 8.802 404 1HB ASP 49 2HB ASP 49 -10.016 -1.658 7.586 405 2HB ASP 49 1HB ASP 49 -10.441 -1.508 9.290 406 H ILE 50 H ILE 50 -9.588 1.497 6.432 407 HA ILE 50 HA ILE 50 -7.546 2.258 8.438 408 HB ILE 50 HB ILE 50 -6.776 2.216 5.580 409 1HG1 ILE 50 2HG1 ILE 50 -8.134 0.131 5.804 410 2HG1 ILE 50 1HG1 ILE 50 -6.428 -0.188 5.499 411 1HG2 ILE 50 1HG2 ILE 50 -5.317 0.915 7.857 412 2HG2 ILE 50 2HG2 ILE 50 -5.382 2.673 7.750 413 3HG2 ILE 50 3HG2 ILE 50 -4.665 1.736 6.440 414 1HD1 ILE 50 1HD1 ILE 50 -7.558 -0.085 8.295 415 2HD1 ILE 50 2HD1 ILE 50 -6.022 -0.767 7.768 416 3HD1 ILE 50 3HD1 ILE 50 -7.533 -1.573 7.354 417 H LYS 51 H LYS 51 -8.145 4.573 8.766 418 HA LYS 51 HA LYS 51 -8.390 5.928 6.153 419 1HB LYS 51 2HB LYS 51 -10.606 5.605 7.410 420 2HB LYS 51 1HB LYS 51 -9.994 6.832 8.515 421 1HG LYS 51 2HG LYS 51 -11.374 7.741 6.572 422 2HG LYS 51 1HG LYS 51 -9.769 8.448 6.776 423 1HD LYS 51 2HD LYS 51 -10.459 7.768 4.382 424 2HD LYS 51 1HD LYS 51 -8.866 7.257 4.951 425 1HE LYS 51 2HE LYS 51 -9.851 5.332 3.930 426 2HE LYS 51 1HE LYS 51 -9.974 5.067 5.664 427 1HZ LYS 51 1HZ LYS 51 -12.028 4.624 4.538 428 2HZ LYS 51 2HZ LYS 51 -12.105 6.120 3.987 429 3HZ LYS 51 3HZ LYS 51 -12.211 5.839 5.560 430 H CYS 52 H CYS 52 -6.626 6.952 6.036 431 HA CYS 52 HA CYS 52 -6.225 9.421 7.109 432 1HB CYS 52 2HB CYS 52 -5.197 7.238 8.751 433 2HB CYS 52 1HB CYS 52 -3.993 8.465 8.371 434 HG CYS 52 HG CYS 52 -6.738 9.324 9.597 435 H GLN 53 H GLN 53 -4.616 10.321 5.734 436 HA GLN 53 HA GLN 53 -2.898 8.301 4.406 437 1HB GLN 53 2HB GLN 53 -4.859 10.189 3.140 438 2HB GLN 53 1HB GLN 53 -3.430 9.667 2.248 439 1HG GLN 53 2HG GLN 53 -4.420 7.318 3.387 440 2HG GLN 53 1HG GLN 53 -5.861 8.185 2.858 441 1HE2 GLN 53 1HE2 GLN 53 -5.660 6.079 1.324 442 2HE2 GLN 53 2HE2 GLN 53 -4.876 6.364 -0.155 443 H LYS 54 H LYS 54 -0.954 8.842 4.489 444 HA LYS 54 HA LYS 54 -0.113 11.676 4.549 445 1HB LYS 54 2HB LYS 54 0.303 9.498 6.341 446 2HB LYS 54 1HB LYS 54 1.844 9.816 5.552 447 1HG LYS 54 2HG LYS 54 0.128 11.943 6.852 448 2HG LYS 54 1HG LYS 54 1.474 11.134 7.653 449 1HD LYS 54 2HD LYS 54 3.059 12.226 6.401 450 2HD LYS 54 1HD LYS 54 2.028 12.298 4.971 451 1HE LYS 54 2HE LYS 54 0.898 14.202 5.717 452 2HE LYS 54 1HE LYS 54 1.300 13.899 7.407 453 1HZ LYS 54 1HZ LYS 54 3.383 14.713 7.097 454 2HZ LYS 54 2HZ LYS 54 2.571 15.667 6.101 455 3HZ LYS 54 3HZ LYS 54 3.418 14.440 5.520 456 H ILE 55 H ILE 55 0.783 12.097 2.509 457 HA ILE 55 HA ILE 55 2.481 9.932 1.413 458 HB ILE 55 HB ILE 55 1.003 11.894 -0.327 459 1HG1 ILE 55 2HG1 ILE 55 -0.667 10.764 1.126 460 2HG1 ILE 55 1HG1 ILE 55 -0.805 10.245 -0.554 461 1HG2 ILE 55 1HG2 ILE 55 2.433 10.762 -1.713 462 2HG2 ILE 55 2HG2 ILE 55 1.148 9.554 -1.672 463 3HG2 ILE 55 3HG2 ILE 55 2.557 9.378 -0.626 464 1HD1 ILE 55 1HD1 ILE 55 1.107 8.582 0.829 465 2HD1 ILE 55 2HD1 ILE 55 -0.386 8.110 0.018 466 3HD1 ILE 55 3HD1 ILE 55 -0.420 8.602 1.711 467 H SER 56 H SER 56 4.467 10.770 1.954 468 HA SER 56 HA SER 56 5.018 13.489 0.974 469 1HB SER 56 2HB SER 56 6.740 12.268 3.065 470 2HB SER 56 1HB SER 56 6.283 13.952 2.830 471 HG SER 56 HG SER 56 5.086 11.989 4.301 472 HA PRO 57 HA PRO 57 8.357 10.380 -0.256 473 1HB PRO 57 2HB PRO 57 7.174 9.056 -2.527 474 2HB PRO 57 1HB PRO 57 7.843 8.391 -1.045 475 1HG PRO 57 2HG PRO 57 5.089 8.611 -1.781 476 2HG PRO 57 1HG PRO 57 5.768 7.823 -0.371 477 1HD PRO 57 2HD PRO 57 4.340 10.297 -0.436 478 2HD PRO 57 1HD PRO 57 5.140 9.540 0.952 479 H GLU 58 H GLU 58 6.235 12.575 -1.655 480 HA GLU 58 HA GLU 58 7.428 12.905 -4.203 481 1HB GLU 58 2HB GLU 58 5.544 14.333 -2.501 482 2HB GLU 58 1HB GLU 58 6.640 15.444 -3.324 483 1HG GLU 58 2HG GLU 58 5.920 13.501 -5.244 484 2HG GLU 58 1HG GLU 58 4.426 13.949 -4.419 485 H GLY 59 H GLY 59 8.570 13.460 -1.014 486 1HA GLY 59 2HA GLY 59 10.930 14.808 -2.139 487 2HA GLY 59 1HA GLY 59 10.120 15.528 -0.748 488 H LYS 60 H LYS 60 10.148 12.061 -0.988 489 HA LYS 60 HA LYS 60 11.794 11.950 1.427 490 1HB LYS 60 2HB LYS 60 10.113 9.954 -0.109 491 2HB LYS 60 1HB LYS 60 11.166 9.428 1.199 492 1HG LYS 60 2HG LYS 60 9.035 11.560 1.472 493 2HG LYS 60 1HG LYS 60 8.846 9.883 1.977 494 1HD LYS 60 2HD LYS 60 10.765 11.949 3.073 495 2HD LYS 60 1HD LYS 60 9.493 11.086 3.939 496 1HE LYS 60 2HE LYS 60 10.940 8.987 3.013 497 2HE LYS 60 1HE LYS 60 12.220 10.186 3.194 498 1HZ LYS 60 1HZ LYS 60 10.645 8.919 5.202 499 2HZ LYS 60 2HZ LYS 60 10.891 10.482 5.436 500 3HZ LYS 60 3HZ LYS 60 12.138 9.490 5.291 501 H ALA 61 H ALA 61 12.294 9.098 -0.156 502 HA ALA 61 HA ALA 61 14.684 10.064 -1.561 503 1HB ALA 61 1HB ALA 61 14.435 8.037 0.613 504 2HB ALA 61 2HB ALA 61 15.789 9.096 0.216 505 3HB ALA 61 3HB ALA 61 15.505 7.635 -0.731 506 H LYS 62 H LYS 62 11.876 8.092 -1.360 507 HA LYS 62 HA LYS 62 12.057 7.421 -4.100 508 1HB LYS 62 2HB LYS 62 11.516 4.923 -3.396 509 2HB LYS 62 1HB LYS 62 13.159 5.462 -3.740 510 1HG LYS 62 2HG LYS 62 12.066 5.802 -0.974 511 2HG LYS 62 1HG LYS 62 12.614 4.213 -1.490 512 1HD LYS 62 2HD LYS 62 14.541 6.209 -2.250 513 2HD LYS 62 1HD LYS 62 14.173 6.331 -0.527 514 1HE LYS 62 2HE LYS 62 14.408 3.709 -0.597 515 2HE LYS 62 1HE LYS 62 15.354 4.038 -2.050 516 1HZ LYS 62 1HZ LYS 62 16.976 4.383 -0.610 517 2HZ LYS 62 2HZ LYS 62 16.009 4.544 0.655 518 3HZ LYS 62 3HZ LYS 62 16.293 5.798 -0.299 519 H ILE 63 H ILE 63 10.311 5.492 -1.890 520 HA ILE 63 HA ILE 63 7.976 7.162 -2.199 521 HB ILE 63 HB ILE 63 6.688 5.886 -3.552 522 1HG1 ILE 63 2HG1 ILE 63 7.138 3.698 -2.320 523 2HG1 ILE 63 1HG1 ILE 63 7.024 3.546 -4.028 524 1HG2 ILE 63 1HG2 ILE 63 9.556 5.429 -4.451 525 2HG2 ILE 63 2HG2 ILE 63 8.526 6.812 -4.852 526 3HG2 ILE 63 3HG2 ILE 63 8.140 5.218 -5.485 527 1HD1 ILE 63 1HD1 ILE 63 9.168 2.774 -2.388 528 2HD1 ILE 63 2HD1 ILE 63 9.730 4.184 -3.284 529 3HD1 ILE 63 3HD1 ILE 63 9.136 2.768 -4.148 530 H GLN 64 H GLN 64 7.965 7.242 0.076 531 HA GLN 64 HA GLN 64 7.054 4.715 1.340 532 1HB GLN 64 2HB GLN 64 7.474 6.188 3.505 533 2HB GLN 64 1HB GLN 64 8.794 5.307 2.742 534 1HG GLN 64 2HG GLN 64 8.260 8.034 1.687 535 2HG GLN 64 1HG GLN 64 8.923 7.938 3.314 536 1HE2 GLN 64 1HE2 GLN 64 9.741 7.740 -0.026 537 2HE2 GLN 64 2HE2 GLN 64 11.333 7.187 0.171 538 H LEU 65 H LEU 65 4.921 4.650 1.836 539 HA LEU 65 HA LEU 65 3.525 7.238 1.914 540 1HB LEU 65 2HB LEU 65 1.480 5.914 1.241 541 2HB LEU 65 1HB LEU 65 2.742 6.044 0.023 542 HG LEU 65 HG LEU 65 1.663 3.732 0.370 543 1HD1 LEU 65 1HD1 LEU 65 4.219 2.771 0.584 544 2HD1 LEU 65 2HD1 LEU 65 4.491 4.434 0.045 545 3HD1 LEU 65 3HD1 LEU 65 3.474 3.355 -0.906 546 1HD2 LEU 65 1HD2 LEU 65 1.844 3.921 2.895 547 2HD2 LEU 65 2HD2 LEU 65 3.566 3.612 2.684 548 3HD2 LEU 65 3HD2 LEU 65 2.389 2.405 2.186 549 H GLN 66 H GLN 66 1.470 7.202 3.308 550 HA GLN 66 HA GLN 66 1.711 5.345 5.570 551 1HB GLN 66 2HB GLN 66 2.570 8.080 5.625 552 2HB GLN 66 1HB GLN 66 1.169 7.894 6.681 553 1HG GLN 66 2HG GLN 66 2.234 6.069 7.875 554 2HG GLN 66 1HG GLN 66 3.589 6.071 6.744 555 1HE2 GLN 66 1HE2 GLN 66 4.711 8.372 6.590 556 2HE2 GLN 66 2HE2 GLN 66 4.940 9.174 8.069 557 H LEU 67 H LEU 67 -0.183 4.772 6.362 558 HA LEU 67 HA LEU 67 -2.618 6.337 5.760 559 1HB LEU 67 2HB LEU 67 -1.999 4.113 4.324 560 2HB LEU 67 1HB LEU 67 -2.822 3.370 5.694 561 HG LEU 67 HG LEU 67 -4.049 5.731 4.290 562 1HD1 LEU 67 1HD1 LEU 67 -4.429 4.549 2.422 563 2HD1 LEU 67 2HD1 LEU 67 -5.225 3.293 3.375 564 3HD1 LEU 67 3HD1 LEU 67 -3.487 3.209 3.076 565 1HD2 LEU 67 1HD2 LEU 67 -5.949 3.813 5.069 566 2HD2 LEU 67 2HD2 LEU 67 -5.580 5.324 5.902 567 3HD2 LEU 67 3HD2 LEU 67 -4.762 3.835 6.374 568 H VAL 68 H VAL 68 -3.963 6.439 7.599 569 HA VAL 68 HA VAL 68 -3.021 4.701 9.800 570 HB VAL 68 HB VAL 68 -4.682 7.144 10.332 571 1HG1 VAL 68 1HG1 VAL 68 -2.610 5.562 11.850 572 2HG1 VAL 68 2HG1 VAL 68 -4.346 5.604 12.177 573 3HG1 VAL 68 3HG1 VAL 68 -3.362 7.038 12.445 574 1HG2 VAL 68 1HG2 VAL 68 -2.196 7.200 9.061 575 2HG2 VAL 68 2HG2 VAL 68 -1.848 7.449 10.770 576 3HG2 VAL 68 3HG2 VAL 68 -2.956 8.534 9.929 577 H LEU 69 H LEU 69 -4.515 3.930 11.255 578 HA LEU 69 HA LEU 69 -6.863 2.859 9.957 579 1HB LEU 69 2HB LEU 69 -5.527 2.501 12.645 580 2HB LEU 69 1HB LEU 69 -7.018 1.672 12.215 581 HG LEU 69 HG LEU 69 -4.808 0.406 11.827 582 1HD1 LEU 69 1HD1 LEU 69 -6.913 0.812 9.757 583 2HD1 LEU 69 2HD1 LEU 69 -6.737 -0.512 10.908 584 3HD1 LEU 69 3HD1 LEU 69 -5.620 -0.372 9.538 585 1HD2 LEU 69 1HD2 LEU 69 -3.556 2.236 10.749 586 2HD2 LEU 69 2HD2 LEU 69 -4.727 2.253 9.435 587 3HD2 LEU 69 3HD2 LEU 69 -3.699 0.847 9.681 588 H HIS 70 H HIS 70 -9.051 3.277 10.708 589 HA HIS 70 HA HIS 70 -9.712 5.837 11.569 590 1HB HIS 70 2HB HIS 70 -11.063 3.157 11.984 591 2HB HIS 70 1HB HIS 70 -11.765 4.637 12.632 592 HD1 HIS 70 HD1 HIS 70 -13.020 6.126 11.026 593 HD2 HIS 70 HD2 HIS 70 -10.829 3.175 9.060 594 HE1 HIS 70 HE1 HIS 70 -13.714 6.218 8.592 595 H ALA 71 H ALA 71 -8.877 2.956 13.243 596 HA ALA 71 HA ALA 71 -9.144 3.896 15.934 597 1HB ALA 71 1HB ALA 71 -7.095 1.831 15.423 598 2HB ALA 71 2HB ALA 71 -8.697 1.441 14.798 599 3HB ALA 71 3HB ALA 71 -8.481 1.794 16.513 600 H GLY 72 H GLY 72 -6.469 3.119 16.846 601 1HA GLY 72 2HA GLY 72 -5.038 5.561 16.008 602 2HA GLY 72 1HA GLY 72 -4.877 4.782 17.585 603 H ASP 73 H ASP 73 -4.804 3.627 14.326 604 HA ASP 73 HA ASP 73 -2.112 2.489 14.866 605 1HB ASP 73 2HB ASP 73 -3.592 0.633 14.957 606 2HB ASP 73 1HB ASP 73 -4.501 1.194 13.557 607 H THR 74 H THR 74 -0.663 2.608 13.233 608 HA THR 74 HA THR 74 -1.544 4.189 10.905 609 HB THR 74 HB THR 74 1.349 3.853 11.481 610 HG1 THR 74 HG1 THR 74 0.602 4.211 13.543 611 1HG2 THR 74 1HG2 THR 74 1.457 5.686 10.175 612 2HG2 THR 74 2HG2 THR 74 0.268 6.537 11.161 613 3HG2 THR 74 3HG2 THR 74 -0.265 5.462 9.869 614 H THR 75 H THR 75 -0.541 3.642 8.835 615 HA THR 75 HA THR 75 0.405 0.867 8.691 616 HB THR 75 HB THR 75 -1.731 2.215 7.007 617 HG1 THR 75 HG1 THR 75 -1.925 0.780 9.106 618 1HG2 THR 75 1HG2 THR 75 0.038 -0.148 6.473 619 2HG2 THR 75 2HG2 THR 75 -0.499 1.115 5.366 620 3HG2 THR 75 3HG2 THR 75 -1.618 -0.153 5.867 621 H ASN 76 H ASN 76 2.548 1.407 8.119 622 HA ASN 76 HA ASN 76 2.833 3.521 6.078 623 1HB ASN 76 2HB ASN 76 4.903 2.402 7.990 624 2HB ASN 76 1HB ASN 76 5.124 3.764 6.890 625 1HD2 ASN 76 1HD2 ASN 76 5.508 5.239 8.717 626 2HD2 ASN 76 2HD2 ASN 76 4.228 5.747 9.709 627 H PHE 77 H PHE 77 4.075 3.055 4.224 628 HA PHE 77 HA PHE 77 5.268 0.425 4.054 629 1HB PHE 77 2HB PHE 77 2.630 0.878 3.050 630 2HB PHE 77 1HB PHE 77 3.714 0.590 1.688 631 HD1 PHE 77 HD1 PHE 77 5.742 -1.113 2.881 632 HD2 PHE 77 HD2 PHE 77 1.496 -1.187 3.402 633 HE1 PHE 77 HE1 PHE 77 5.874 -3.492 3.473 634 HE2 PHE 77 HE2 PHE 77 1.612 -3.583 3.985 635 HZ PHE 77 HZ PHE 77 3.830 -4.723 4.014 636 H HIS 78 H HIS 78 6.793 0.289 2.603 637 HA HIS 78 HA HIS 78 7.327 2.600 0.825 638 1HB HIS 78 2HB HIS 78 8.445 3.064 2.956 639 2HB HIS 78 1HB HIS 78 9.270 1.511 2.881 640 HD1 HIS 78 HD1 HIS 78 11.101 1.201 1.145 641 HD2 HIS 78 HD2 HIS 78 9.484 5.039 1.072 642 HE1 HIS 78 HE1 HIS 78 12.543 2.592 -0.357 643 H PHE 79 H PHE 79 9.211 2.208 -0.600 644 HA PHE 79 HA PHE 79 9.869 -0.626 -1.107 645 1HB PHE 79 2HB PHE 79 9.040 1.165 -3.343 646 2HB PHE 79 1HB PHE 79 9.164 -0.580 -3.334 647 HD1 PHE 79 HD1 PHE 79 7.259 2.184 -1.622 648 HD2 PHE 79 HD2 PHE 79 7.185 -1.769 -3.286 649 HE1 PHE 79 HE1 PHE 79 4.769 2.146 -1.399 650 HE2 PHE 79 HE2 PHE 79 4.737 -1.844 -2.983 651 HZ PHE 79 HZ PHE 79 3.537 0.100 -2.081 652 H SER 80 H SER 80 12.084 -0.788 -2.213 653 HA SER 80 HA SER 80 13.105 1.246 -3.704 654 1HB SER 80 2HB SER 80 13.430 2.714 -1.922 655 2HB SER 80 1HB SER 80 13.877 1.412 -0.814 656 HG SER 80 HG SER 80 15.796 1.163 -1.932 657 H ASN 81 H ASN 81 14.981 0.425 -4.683 658 HA ASN 81 HA ASN 81 16.360 -1.787 -3.394 659 1HB ASN 81 2HB ASN 81 14.862 -2.121 -6.009 660 2HB ASN 81 1HB ASN 81 16.053 -3.268 -5.391 661 1HD2 ASN 81 1HD2 ASN 81 12.977 -1.668 -4.450 662 2HD2 ASN 81 2HD2 ASN 81 12.447 -2.944 -3.468 663 H GLU 82 H GLU 82 16.899 -2.062 -6.660 664 HA GLU 82 HA GLU 82 19.163 -0.188 -6.459 665 1HB GLU 82 2HB GLU 82 18.900 -2.404 -8.486 666 2HB GLU 82 1HB GLU 82 20.365 -1.618 -7.895 667 1HG GLU 82 2HG GLU 82 18.552 -3.338 -6.179 668 2HG GLU 82 1HG GLU 82 20.025 -3.920 -6.954 669 H SER 83 H SER 83 16.553 -1.361 -8.591 670 HA SER 83 HA SER 83 16.531 1.286 -9.821 671 1HB SER 83 2HB SER 83 17.069 -1.266 -11.334 672 2HB SER 83 1HB SER 83 16.512 0.214 -12.108 673 HG SER 83 HG SER 83 18.982 -0.456 -11.167 674 H THR 84 H THR 84 14.667 -0.771 -8.233 675 HA THR 84 HA THR 84 12.458 -0.480 -10.196 676 HB THR 84 HB THR 84 13.252 -2.877 -9.444 677 HG1 THR 84 HG1 THR 84 11.090 -3.535 -9.513 678 1HG2 THR 84 1HG2 THR 84 11.412 -2.410 -7.135 679 2HG2 THR 84 2HG2 THR 84 13.110 -1.965 -6.965 680 3HG2 THR 84 3HG2 THR 84 12.669 -3.631 -7.338 681 H ALA 85 H ALA 85 13.621 1.294 -8.015 682 HA ALA 85 HA ALA 85 11.529 1.214 -6.013 683 1HB ALA 85 1HB ALA 85 13.987 1.630 -5.566 684 2HB ALA 85 2HB ALA 85 12.855 2.728 -4.782 685 3HB ALA 85 3HB ALA 85 13.734 3.244 -6.221 686 H VAL 86 H VAL 86 10.921 2.558 -8.983 687 HA VAL 86 HA VAL 86 9.811 4.930 -7.648 688 HB VAL 86 HB VAL 86 10.657 4.924 -10.530 689 1HG1 VAL 86 1HG1 VAL 86 11.064 7.365 -9.083 690 2HG1 VAL 86 2HG1 VAL 86 9.450 6.760 -8.712 691 3HG1 VAL 86 3HG1 VAL 86 9.921 7.046 -10.387 692 1HG2 VAL 86 1HG2 VAL 86 12.800 5.990 -9.710 693 2HG2 VAL 86 2HG2 VAL 86 12.667 4.267 -9.355 694 3HG2 VAL 86 3HG2 VAL 86 12.372 5.454 -8.085 695 H LYS 87 H LYS 87 9.490 3.329 -10.863 696 HA LYS 87 HA LYS 87 6.825 4.077 -11.282 697 1HB LYS 87 2HB LYS 87 8.756 2.241 -12.470 698 2HB LYS 87 1HB LYS 87 7.083 1.716 -12.664 699 1HG LYS 87 2HG LYS 87 6.818 4.359 -13.222 700 2HG LYS 87 1HG LYS 87 8.463 4.084 -13.796 701 1HD LYS 87 2HD LYS 87 7.770 2.803 -15.539 702 2HD LYS 87 1HD LYS 87 6.551 1.978 -14.566 703 1HE LYS 87 2HE LYS 87 5.322 4.305 -14.657 704 2HE LYS 87 1HE LYS 87 6.334 4.563 -16.078 705 1HZ LYS 87 1HZ LYS 87 4.827 2.109 -15.803 706 2HZ LYS 87 2HZ LYS 87 5.348 2.820 -17.139 707 3HZ LYS 87 3HZ LYS 87 4.096 3.426 -16.348 708 H GLU 88 H GLU 88 7.829 0.770 -10.552 709 HA GLU 88 HA GLU 88 5.548 -0.582 -10.300 710 1HB GLU 88 2HB GLU 88 7.351 -0.872 -7.914 711 2HB GLU 88 1HB GLU 88 6.585 -2.111 -8.866 712 1HG GLU 88 2HG GLU 88 8.204 -0.861 -10.695 713 2HG GLU 88 1HG GLU 88 9.141 -0.817 -9.219 714 H ARG 89 H ARG 89 6.756 0.697 -7.215 715 HA ARG 89 HA ARG 89 4.118 0.645 -6.191 716 1HB ARG 89 2HB ARG 89 5.286 2.297 -4.420 717 2HB ARG 89 1HB ARG 89 5.429 0.548 -4.360 718 1HG ARG 89 2HG ARG 89 7.607 1.658 -4.158 719 2HG ARG 89 1HG ARG 89 7.528 0.656 -5.601 720 1HD ARG 89 2HD ARG 89 6.535 3.307 -6.077 721 2HD ARG 89 1HD ARG 89 8.155 3.381 -5.433 722 HE ARG 89 HE ARG 89 7.537 2.757 -8.035 723 1HH1 ARG 89 1HH2 ARG 89 9.267 1.231 -5.445 724 2HH1 ARG 89 2HH2 ARG 89 10.190 0.260 -6.529 725 1HH2 ARG 89 1HH1 ARG 89 8.849 1.641 -9.375 726 2HH2 ARG 89 2HH1 ARG 89 10.014 0.557 -8.734 727 H ASP 90 H ASP 90 5.931 2.936 -8.038 728 HA ASP 90 HA ASP 90 4.760 5.364 -7.328 729 1HB ASP 90 2HB ASP 90 5.916 4.339 -9.738 730 2HB ASP 90 1HB ASP 90 4.452 5.207 -10.157 731 H ALA 91 H ALA 91 3.403 2.945 -9.578 732 HA ALA 91 HA ALA 91 0.830 4.067 -9.683 733 1HB ALA 91 1HB ALA 91 2.115 1.490 -10.328 734 2HB ALA 91 2HB ALA 91 0.886 2.387 -11.224 735 3HB ALA 91 3HB ALA 91 0.414 1.352 -9.876 736 H VAL 92 H VAL 92 2.149 1.412 -7.655 737 HA VAL 92 HA VAL 92 0.024 0.793 -6.045 738 HB VAL 92 HB VAL 92 2.855 1.352 -5.130 739 1HG1 VAL 92 1HG1 VAL 92 1.968 1.297 -3.048 740 2HG1 VAL 92 2HG1 VAL 92 1.757 -0.430 -3.340 741 3HG1 VAL 92 3HG1 VAL 92 0.420 0.684 -3.629 742 1HG2 VAL 92 1HG2 VAL 92 3.247 -0.929 -5.432 743 2HG2 VAL 92 2HG2 VAL 92 2.199 -0.563 -6.804 744 3HG2 VAL 92 3HG2 VAL 92 1.534 -1.337 -5.363 745 H LYS 93 H LYS 93 2.280 3.428 -5.123 746 HA LYS 93 HA LYS 93 0.569 4.476 -3.159 747 1HB LYS 93 2HB LYS 93 2.729 5.281 -2.963 748 2HB LYS 93 1HB LYS 93 2.922 5.486 -4.705 749 1HG LYS 93 2HG LYS 93 1.836 7.541 -4.712 750 2HG LYS 93 1HG LYS 93 0.913 7.174 -3.251 751 1HD LYS 93 2HD LYS 93 2.531 8.009 -1.906 752 2HD LYS 93 1HD LYS 93 3.803 7.156 -2.780 753 1HE LYS 93 2HE LYS 93 2.470 9.701 -3.752 754 2HE LYS 93 1HE LYS 93 4.028 9.642 -2.927 755 1HZ LYS 93 1HZ LYS 93 3.449 8.203 -5.395 756 2HZ LYS 93 2HZ LYS 93 4.877 8.349 -4.688 757 3HZ LYS 93 3HZ LYS 93 4.180 9.627 -5.352 758 H ASP 94 H ASP 94 1.073 5.281 -6.568 759 HA ASP 94 HA ASP 94 -0.721 7.331 -6.940 760 1HB ASP 94 2HB ASP 94 0.769 6.075 -8.665 761 2HB ASP 94 1HB ASP 94 -0.636 5.027 -8.866 762 H LEU 95 H LEU 95 -1.440 4.052 -5.969 763 HA LEU 95 HA LEU 95 -4.236 4.375 -6.760 764 1HB LEU 95 2HB LEU 95 -3.270 2.160 -4.991 765 2HB LEU 95 1HB LEU 95 -4.506 2.126 -6.248 766 HG LEU 95 HG LEU 95 -1.509 2.129 -6.591 767 1HD1 LEU 95 1HD1 LEU 95 -2.869 0.268 -8.234 768 2HD1 LEU 95 2HD1 LEU 95 -3.619 0.172 -6.641 769 3HD1 LEU 95 3HD1 LEU 95 -1.882 -0.078 -6.814 770 1HD2 LEU 95 1HD2 LEU 95 -2.121 3.626 -8.291 771 2HD2 LEU 95 2HD2 LEU 95 -3.707 2.886 -8.503 772 3HD2 LEU 95 3HD2 LEU 95 -2.266 2.073 -9.113 773 H LEU 96 H LEU 96 -2.121 4.123 -3.901 774 HA LEU 96 HA LEU 96 -3.783 4.259 -1.786 775 1HB LEU 96 2HB LEU 96 -1.350 5.963 -2.383 776 2HB LEU 96 1HB LEU 96 -2.171 6.029 -0.833 777 HG LEU 96 HG LEU 96 -0.383 3.921 -1.938 778 1HD1 LEU 96 1HD1 LEU 96 -0.237 3.627 0.653 779 2HD1 LEU 96 2HD1 LEU 96 -1.114 5.158 0.694 780 3HD1 LEU 96 3HD1 LEU 96 0.458 5.061 -0.108 781 1HD2 LEU 96 1HD2 LEU 96 -2.794 3.206 -0.225 782 2HD2 LEU 96 2HD2 LEU 96 -1.478 2.120 -0.669 783 3HD2 LEU 96 3HD2 LEU 96 -2.575 2.729 -1.908 784 H GLN 97 H GLN 97 -2.675 7.241 -3.364 785 HA GLN 97 HA GLN 97 -4.793 8.799 -2.185 786 1HB GLN 97 2HB GLN 97 -4.080 10.609 -3.586 787 2HB GLN 97 1HB GLN 97 -2.660 9.828 -2.904 788 1HG GLN 97 2HG GLN 97 -3.454 8.636 -5.440 789 2HG GLN 97 1HG GLN 97 -3.137 10.364 -5.605 790 1HE2 GLN 97 1HE2 GLN 97 -1.705 7.269 -4.950 791 2HE2 GLN 97 2HE2 GLN 97 -0.098 7.790 -4.839 792 H GLN 98 H GLN 98 -4.997 6.585 -4.567 793 HA GLN 98 HA GLN 98 -7.067 8.020 -6.072 794 1HB GLN 98 2HB GLN 98 -5.145 6.640 -7.152 795 2HB GLN 98 1HB GLN 98 -6.096 5.235 -6.670 796 1HG GLN 98 2HG GLN 98 -8.049 6.714 -7.797 797 2HG GLN 98 1HG GLN 98 -6.674 7.294 -8.737 798 1HE2 GLN 98 1HE2 GLN 98 -7.723 4.071 -7.465 799 2HE2 GLN 98 2HE2 GLN 98 -7.476 3.255 -8.933 800 H LEU 99 H LEU 99 -6.580 5.374 -3.799 801 HA LEU 99 HA LEU 99 -9.324 4.444 -4.133 802 1HB LEU 99 2HB LEU 99 -7.711 3.551 -1.816 803 2HB LEU 99 1HB LEU 99 -8.720 2.607 -2.896 804 HG LEU 99 HG LEU 99 -6.651 3.528 -4.529 805 1HD1 LEU 99 1HD1 LEU 99 -5.659 2.674 -1.808 806 2HD1 LEU 99 2HD1 LEU 99 -5.460 4.267 -2.525 807 3HD1 LEU 99 3HD1 LEU 99 -4.640 2.871 -3.229 808 1HD2 LEU 99 1HD2 LEU 99 -7.681 1.044 -3.467 809 2HD2 LEU 99 2HD2 LEU 99 -5.919 0.990 -3.541 810 3HD2 LEU 99 3HD2 LEU 99 -6.854 1.331 -4.999 811 H LEU 100 H LEU 100 -7.427 6.416 -1.949 812 HA LEU 100 HA LEU 100 -8.867 6.571 0.330 813 1HB LEU 100 2HB LEU 100 -7.022 8.243 -0.948 814 2HB LEU 100 1HB LEU 100 -8.423 9.273 -0.647 815 HG LEU 100 HG LEU 100 -6.916 7.618 1.393 816 1HD1 LEU 100 1HD1 LEU 100 -7.316 10.590 0.955 817 2HD1 LEU 100 2HD1 LEU 100 -5.795 9.698 0.903 818 3HD1 LEU 100 3HD1 LEU 100 -6.642 9.908 2.436 819 1HD2 LEU 100 1HD2 LEU 100 -8.555 8.692 3.001 820 2HD2 LEU 100 2HD2 LEU 100 -9.261 7.475 1.938 821 3HD2 LEU 100 3HD2 LEU 100 -9.500 9.189 1.597 822 HA PRO 101 HA PRO 101 -12.048 9.352 -2.041 823 1HB PRO 101 2HB PRO 101 -11.698 8.085 -4.704 824 2HB PRO 101 1HB PRO 101 -12.001 9.785 -4.311 825 1HG PRO 101 2HG PRO 101 -9.566 8.800 -5.112 826 2HG PRO 101 1HG PRO 101 -9.751 10.243 -4.098 827 1HD PRO 101 2HD PRO 101 -8.730 7.603 -3.370 828 2HD PRO 101 1HD PRO 101 -8.628 9.126 -2.468 829 H LYS 102 H LYS 102 -11.421 6.042 -3.125 830 HA LYS 102 HA LYS 102 -13.940 5.098 -3.711 831 1HB LYS 102 2HB LYS 102 -11.899 3.776 -3.951 832 2HB LYS 102 1HB LYS 102 -11.695 3.759 -2.198 833 1HG LYS 102 2HG LYS 102 -13.449 2.289 -1.858 834 2HG LYS 102 1HG LYS 102 -14.243 2.711 -3.379 835 1HD LYS 102 2HD LYS 102 -11.824 1.733 -4.249 836 2HD LYS 102 1HD LYS 102 -12.140 0.717 -2.842 837 1HE LYS 102 2HE LYS 102 -13.775 1.029 -5.350 838 2HE LYS 102 1HE LYS 102 -13.233 -0.450 -4.558 839 1HZ LYS 102 1HZ LYS 102 -14.733 0.680 -2.701 840 2HZ LYS 102 2HZ LYS 102 -15.274 -0.420 -3.730 841 3HZ LYS 102 3HZ LYS 102 -15.525 1.134 -4.016 842 H PHE 103 H PHE 103 -12.389 5.058 -0.513 843 HA PHE 103 HA PHE 103 -15.027 4.510 0.684 844 1HB PHE 103 2HB PHE 103 -13.298 3.987 2.704 845 2HB PHE 103 1HB PHE 103 -13.689 2.779 1.474 846 HD1 PHE 103 HD1 PHE 103 -12.190 2.368 -0.416 847 HD2 PHE 103 HD2 PHE 103 -11.193 5.174 2.669 848 HE1 PHE 103 HE1 PHE 103 -9.886 2.505 -1.297 849 HE2 PHE 103 HE2 PHE 103 -8.873 5.299 1.808 850 HZ PHE 103 HZ PHE 103 -8.223 3.980 -0.181 851 H LYS 104 H LYS 104 -12.994 7.050 0.101 852 HA LYS 104 HA LYS 104 -14.242 8.611 2.208 853 1HB LYS 104 2HB LYS 104 -11.772 7.500 2.770 854 2HB LYS 104 1HB LYS 104 -11.359 9.108 2.175 855 1HG LYS 104 2HG LYS 104 -11.721 9.225 4.583 856 2HG LYS 104 1HG LYS 104 -13.029 10.078 3.761 857 1HD LYS 104 2HD LYS 104 -14.392 7.962 3.906 858 2HD LYS 104 1HD LYS 104 -13.123 7.281 4.907 859 1HE LYS 104 2HE LYS 104 -13.676 8.551 6.720 860 2HE LYS 104 1HE LYS 104 -14.077 9.957 5.734 861 1HZ LYS 104 1HZ LYS 104 -16.075 8.685 5.078 862 2HZ LYS 104 2HZ LYS 104 -16.060 9.139 6.612 863 3HZ LYS 104 3HZ LYS 104 -15.740 7.620 6.226 864 H ARG 105 H ARG 105 -15.078 10.122 0.831 865 HA ARG 105 HA ARG 105 -13.199 11.344 -1.101 866 1HB ARG 105 2HB ARG 105 -15.450 10.107 -1.797 867 2HB ARG 105 1HB ARG 105 -16.163 11.656 -1.344 868 1HG ARG 105 2HG ARG 105 -14.249 12.671 -2.816 869 2HG ARG 105 1HG ARG 105 -14.179 11.055 -3.521 870 1HD ARG 105 2HD ARG 105 -16.910 12.118 -3.231 871 2HD ARG 105 1HD ARG 105 -15.895 13.039 -4.341 872 HE ARG 105 HE ARG 105 -15.457 10.447 -5.073 873 1HH1 ARG 105 1HH2 ARG 105 -18.223 12.448 -4.535 874 2HH1 ARG 105 2HH2 ARG 105 -19.194 11.643 -5.721 875 1HH2 ARG 105 1HH1 ARG 105 -16.716 9.393 -6.621 876 2HH2 ARG 105 2HH1 ARG 105 -18.343 9.917 -6.900 877 H LYS 106 H LYS 106 -13.002 13.593 -1.052 878 HA LYS 106 HA LYS 106 -13.759 14.892 1.385 879 1HB LYS 106 2HB LYS 106 -12.652 16.820 0.477 880 2HB LYS 106 1HB LYS 106 -11.709 15.414 -0.017 881 1HG LYS 106 2HG LYS 106 -12.849 15.416 -2.207 882 2HG LYS 106 1HG LYS 106 -13.785 16.828 -1.716 883 1HD LYS 106 2HD LYS 106 -11.944 18.249 -1.795 884 2HD LYS 106 1HD LYS 106 -10.793 16.936 -1.541 885 1HE LYS 106 2HE LYS 106 -10.715 16.396 -3.760 886 2HE LYS 106 1HE LYS 106 -12.424 16.752 -4.010 887 1HZ LYS 106 1HZ LYS 106 -10.190 18.594 -3.989 888 2HZ LYS 106 2HZ LYS 106 -11.664 19.129 -3.670 889 3HZ LYS 106 3HZ LYS 106 -11.351 18.444 -5.081 890 H ALA 107 H ALA 107 -14.605 17.412 0.586 891 HA ALA 107 HA ALA 107 -17.287 16.776 -0.483 892 1HB ALA 107 1HB ALA 107 -18.163 18.203 1.055 893 2HB ALA 107 2HB ALA 107 -16.867 19.379 0.837 894 3HB ALA 107 3HB ALA 107 -16.624 17.984 1.888 895 H ASN 108 H ASN 108 -18.265 18.533 -1.827 896 HA ASN 108 HA ASN 108 -16.400 20.421 -3.024 897 1HB ASN 108 2HB ASN 108 -17.615 18.116 -4.568 898 2HB ASN 108 1HB ASN 108 -16.929 19.548 -5.336 899 1HD2 ASN 108 1HD2 ASN 108 -16.092 16.460 -4.726 900 2HD2 ASN 108 2HD2 ASN 108 -14.429 16.635 -4.434 Start of MODEL 12 1 1H MET 1 1H MET 1 -22.171 -10.127 -15.289 2 2H MET 1 2H MET 1 -20.678 -9.642 -15.596 3 3H MET 1 3H MET 1 -21.409 -9.176 -14.252 4 HA MET 1 HA MET 1 -21.589 -11.711 -13.825 5 1HB MET 1 2HB MET 1 -19.963 -11.492 -16.138 6 2HB MET 1 1HB MET 1 -18.893 -11.948 -14.811 7 1HG MET 1 2HG MET 1 -19.634 -14.049 -15.387 8 2HG MET 1 1HG MET 1 -20.928 -13.610 -14.271 9 1HE MET 1 1HE MET 1 -20.557 -14.215 -18.561 10 2HE MET 1 2HE MET 1 -19.486 -13.262 -17.537 11 3HE MET 1 3HE MET 1 -20.726 -12.456 -18.494 12 H ALA 2 H ALA 2 -20.431 -12.245 -11.925 13 HA ALA 2 HA ALA 2 -18.436 -10.243 -11.055 14 1HB ALA 2 1HB ALA 2 -19.440 -10.086 -8.901 15 2HB ALA 2 2HB ALA 2 -20.506 -11.456 -9.216 16 3HB ALA 2 3HB ALA 2 -20.770 -9.923 -10.048 17 H THR 3 H THR 3 -16.666 -11.139 -10.028 18 HA THR 3 HA THR 3 -16.417 -14.020 -10.138 19 HB THR 3 HB THR 3 -14.504 -12.610 -10.723 20 HG1 THR 3 HG1 THR 3 -14.301 -14.657 -9.475 21 1HG2 THR 3 1HG2 THR 3 -14.146 -10.711 -9.580 22 2HG2 THR 3 2HG2 THR 3 -13.667 -11.671 -8.180 23 3HG2 THR 3 3HG2 THR 3 -15.349 -11.181 -8.379 24 H SER 4 H SER 4 -16.263 -15.403 -8.345 25 HA SER 4 HA SER 4 -17.611 -14.483 -5.966 26 1HB SER 4 2HB SER 4 -17.326 -16.924 -7.213 27 2HB SER 4 1HB SER 4 -16.244 -17.081 -5.832 28 HG SER 4 HG SER 4 -18.772 -15.943 -5.446 29 H SER 5 H SER 5 -14.323 -14.763 -7.015 30 HA SER 5 HA SER 5 -13.339 -14.705 -4.252 31 1HB SER 5 2HB SER 5 -11.176 -14.379 -5.978 32 2HB SER 5 1HB SER 5 -11.694 -15.889 -5.233 33 HG SER 5 HG SER 5 -12.402 -16.528 -7.104 34 H GLU 6 H GLU 6 -11.747 -12.996 -3.682 35 HA GLU 6 HA GLU 6 -12.790 -10.423 -4.176 36 1HB GLU 6 2HB GLU 6 -10.043 -11.173 -3.173 37 2HB GLU 6 1HB GLU 6 -10.792 -9.591 -3.035 38 1HG GLU 6 2HG GLU 6 -11.561 -12.150 -1.645 39 2HG GLU 6 1HG GLU 6 -11.213 -10.570 -0.945 40 H GLU 7 H GLU 7 -11.541 -8.633 -5.103 41 HA GLU 7 HA GLU 7 -10.023 -9.508 -7.498 42 1HB GLU 7 2HB GLU 7 -11.707 -7.000 -7.277 43 2HB GLU 7 1HB GLU 7 -10.990 -7.690 -8.734 44 1HG GLU 7 2HG GLU 7 -12.468 -9.803 -7.827 45 2HG GLU 7 1HG GLU 7 -13.471 -8.444 -7.319 46 H VAL 8 H VAL 8 -7.855 -8.947 -7.115 47 HA VAL 8 HA VAL 8 -7.387 -6.653 -5.376 48 HB VAL 8 HB VAL 8 -5.248 -7.566 -5.009 49 1HG1 VAL 8 1HG1 VAL 8 -6.107 -10.257 -5.401 50 2HG1 VAL 8 2HG1 VAL 8 -7.520 -9.306 -4.946 51 3HG1 VAL 8 3HG1 VAL 8 -6.099 -9.327 -3.903 52 1HG2 VAL 8 1HG2 VAL 8 -4.166 -8.005 -6.979 53 2HG2 VAL 8 2HG2 VAL 8 -5.623 -8.624 -7.758 54 3HG2 VAL 8 3HG2 VAL 8 -4.703 -9.655 -6.661 55 H LEU 9 H LEU 9 -5.887 -5.043 -5.970 56 HA LEU 9 HA LEU 9 -6.003 -4.453 -8.846 57 1HB LEU 9 2HB LEU 9 -6.866 -2.743 -7.351 58 2HB LEU 9 1HB LEU 9 -5.337 -2.697 -6.475 59 HG LEU 9 HG LEU 9 -4.209 -2.066 -8.642 60 1HD1 LEU 9 1HD1 LEU 9 -5.513 -2.548 -10.453 61 2HD1 LEU 9 2HD1 LEU 9 -6.182 -0.945 -10.151 62 3HD1 LEU 9 3HD1 LEU 9 -7.013 -2.376 -9.543 63 1HD2 LEU 9 1HD2 LEU 9 -4.965 -0.423 -6.861 64 2HD2 LEU 9 2HD2 LEU 9 -6.416 -0.154 -7.828 65 3HD2 LEU 9 3HD2 LEU 9 -4.830 0.257 -8.483 66 H LEU 10 H LEU 10 -3.427 -4.424 -6.232 67 HA LEU 10 HA LEU 10 -1.572 -5.224 -8.325 68 1HB LEU 10 2HB LEU 10 -1.498 -2.894 -8.793 69 2HB LEU 10 1HB LEU 10 -1.456 -2.474 -7.082 70 HG LEU 10 HG LEU 10 0.755 -3.695 -6.935 71 1HD1 LEU 10 1HD1 LEU 10 0.268 -4.987 -9.098 72 2HD1 LEU 10 2HD1 LEU 10 1.898 -4.335 -8.926 73 3HD1 LEU 10 3HD1 LEU 10 0.723 -3.513 -9.953 74 1HD2 LEU 10 1HD2 LEU 10 2.025 -1.850 -7.867 75 2HD2 LEU 10 2HD2 LEU 10 0.524 -1.201 -7.208 76 3HD2 LEU 10 3HD2 LEU 10 0.697 -1.426 -8.948 77 H ILE 11 H ILE 11 0.272 -6.197 -7.452 78 HA ILE 11 HA ILE 11 0.453 -6.127 -4.503 79 HB ILE 11 HB ILE 11 -0.484 -8.242 -5.020 80 1HG1 ILE 11 2HG1 ILE 11 2.461 -8.218 -4.509 81 2HG1 ILE 11 1HG1 ILE 11 1.170 -8.934 -3.566 82 1HG2 ILE 11 1HG2 ILE 11 1.517 -8.396 -7.295 83 2HG2 ILE 11 2HG2 ILE 11 -0.206 -8.060 -7.459 84 3HG2 ILE 11 3HG2 ILE 11 0.333 -9.638 -6.886 85 1HD1 ILE 11 1HD1 ILE 11 2.581 -10.054 -5.981 86 2HD1 ILE 11 2HD1 ILE 11 0.984 -10.641 -5.517 87 3HD1 ILE 11 3HD1 ILE 11 2.340 -10.798 -4.400 88 H VAL 12 H VAL 12 2.481 -5.853 -3.725 89 HA VAL 12 HA VAL 12 4.698 -5.974 -5.673 90 HB VAL 12 HB VAL 12 5.789 -4.295 -3.953 91 1HG1 VAL 12 1HG1 VAL 12 5.093 -4.030 -6.432 92 2HG1 VAL 12 2HG1 VAL 12 5.295 -2.565 -5.471 93 3HG1 VAL 12 3HG1 VAL 12 3.679 -3.190 -5.797 94 1HG2 VAL 12 1HG2 VAL 12 2.995 -4.343 -3.120 95 2HG2 VAL 12 2HG2 VAL 12 3.496 -2.737 -3.621 96 3HG2 VAL 12 3HG2 VAL 12 4.376 -3.578 -2.354 97 H LYS 13 H LYS 13 5.484 -7.906 -5.238 98 HA LYS 13 HA LYS 13 5.570 -9.292 -2.824 99 1HB LYS 13 2HB LYS 13 6.807 -10.841 -3.999 100 2HB LYS 13 1HB LYS 13 6.113 -9.925 -5.327 101 1HG LYS 13 2HG LYS 13 8.846 -9.381 -4.145 102 2HG LYS 13 1HG LYS 13 8.567 -10.338 -5.598 103 1HD LYS 13 2HD LYS 13 7.124 -8.109 -6.194 104 2HD LYS 13 1HD LYS 13 8.411 -7.408 -5.213 105 1HE LYS 13 2HE LYS 13 9.187 -7.407 -7.492 106 2HE LYS 13 1HE LYS 13 10.066 -8.681 -6.647 107 1HZ LYS 13 1HZ LYS 13 9.313 -9.690 -8.540 108 2HZ LYS 13 2HZ LYS 13 7.892 -8.954 -8.541 109 3HZ LYS 13 3HZ LYS 13 8.186 -10.125 -7.490 110 H LYS 14 H LYS 14 7.381 -6.651 -3.826 111 HA LYS 14 HA LYS 14 9.303 -7.144 -1.625 112 1HB LYS 14 2HB LYS 14 9.791 -6.489 -4.352 113 2HB LYS 14 1HB LYS 14 10.243 -5.089 -3.379 114 1HG LYS 14 2HG LYS 14 12.126 -6.696 -3.641 115 2HG LYS 14 1HG LYS 14 11.650 -6.496 -1.954 116 1HD LYS 14 2HD LYS 14 10.493 -8.575 -1.922 117 2HD LYS 14 1HD LYS 14 10.523 -8.704 -3.681 118 1HE LYS 14 2HE LYS 14 12.845 -9.177 -3.721 119 2HE LYS 14 1HE LYS 14 13.071 -8.615 -2.065 120 1HZ LYS 14 1HZ LYS 14 13.019 -10.939 -2.030 121 2HZ LYS 14 2HZ LYS 14 11.696 -11.033 -2.924 122 3HZ LYS 14 3HZ LYS 14 11.611 -10.476 -1.426 123 H VAL 15 H VAL 15 9.009 -5.829 0.073 124 HA VAL 15 HA VAL 15 8.573 -3.040 -0.463 125 HB VAL 15 HB VAL 15 6.342 -4.580 0.837 126 1HG1 VAL 15 1HG1 VAL 15 6.687 -1.579 0.934 127 2HG1 VAL 15 2HG1 VAL 15 7.157 -2.615 2.285 128 3HG1 VAL 15 3HG1 VAL 15 5.477 -2.562 1.754 129 1HG2 VAL 15 1HG2 VAL 15 5.785 -4.237 -1.359 130 2HG2 VAL 15 2HG2 VAL 15 6.854 -2.847 -1.510 131 3HG2 VAL 15 3HG2 VAL 15 5.290 -2.667 -0.725 132 H ARG 16 H ARG 16 9.115 -1.731 1.236 133 HA ARG 16 HA ARG 16 10.421 -3.125 3.501 134 1HB ARG 16 2HB ARG 16 12.073 -2.229 1.899 135 2HB ARG 16 1HB ARG 16 11.287 -0.664 1.937 136 1HG ARG 16 2HG ARG 16 13.013 -0.347 3.465 137 2HG ARG 16 1HG ARG 16 11.676 -0.812 4.515 138 1HD ARG 16 2HD ARG 16 13.789 -2.018 5.054 139 2HD ARG 16 1HD ARG 16 12.484 -3.112 4.589 140 HE ARG 16 HE ARG 16 13.746 -2.706 2.235 141 1HH1 ARG 16 1HH2 ARG 16 14.798 -3.491 5.437 142 2HH1 ARG 16 2HH2 ARG 16 16.137 -4.443 4.895 143 1HH2 ARG 16 1HH1 ARG 16 15.487 -3.949 1.530 144 2HH2 ARG 16 2HH1 ARG 16 16.525 -4.704 2.692 145 H GLN 17 H GLN 17 9.886 -2.331 5.423 146 HA GLN 17 HA GLN 17 8.673 0.326 5.539 147 1HB GLN 17 2HB GLN 17 6.865 -0.711 7.037 148 2HB GLN 17 1HB GLN 17 6.748 -1.085 5.329 149 1HG GLN 17 2HG GLN 17 7.781 -3.220 5.618 150 2HG GLN 17 1HG GLN 17 8.106 -2.875 7.307 151 1HE2 GLN 17 1HE2 GLN 17 6.794 -4.880 7.724 152 2HE2 GLN 17 2HE2 GLN 17 5.101 -4.760 7.749 153 H LYS 18 H LYS 18 9.437 1.371 7.308 154 HA LYS 18 HA LYS 18 11.684 0.826 8.575 155 1HB LYS 18 2HB LYS 18 9.235 2.210 9.561 156 2HB LYS 18 1HB LYS 18 10.539 1.920 10.714 157 1HG LYS 18 2HG LYS 18 11.978 2.836 8.610 158 2HG LYS 18 1HG LYS 18 10.469 3.712 8.350 159 1HD LYS 18 2HD LYS 18 10.548 4.512 10.699 160 2HD LYS 18 1HD LYS 18 12.091 3.683 10.912 161 1HE LYS 18 2HE LYS 18 12.137 6.208 10.301 162 2HE LYS 18 1HE LYS 18 13.211 5.120 9.422 163 1HZ LYS 18 1HZ LYS 18 11.802 5.155 7.617 164 2HZ LYS 18 2HZ LYS 18 11.804 6.685 8.085 165 3HZ LYS 18 3HZ LYS 18 10.556 5.745 8.431 166 H LYS 19 H LYS 19 8.735 -0.947 9.281 167 HA LYS 19 HA LYS 19 9.843 -2.051 11.708 168 1HB LYS 19 2HB LYS 19 7.851 -3.534 11.637 169 2HB LYS 19 1HB LYS 19 7.412 -1.838 11.493 170 1HG LYS 19 2HG LYS 19 7.424 -2.231 8.927 171 2HG LYS 19 1HG LYS 19 7.441 -3.955 9.309 172 1HD LYS 19 2HD LYS 19 5.135 -3.042 8.960 173 2HD LYS 19 1HD LYS 19 5.373 -3.756 10.554 174 1HE LYS 19 2HE LYS 19 6.096 -0.932 10.524 175 2HE LYS 19 1HE LYS 19 4.422 -1.185 10.031 176 1HZ LYS 19 1HZ LYS 19 4.297 -1.128 12.291 177 2HZ LYS 19 2HZ LYS 19 5.684 -1.888 12.535 178 3HZ LYS 19 3HZ LYS 19 4.399 -2.707 12.050 179 H GLN 20 H GLN 20 9.037 -3.394 8.526 180 HA GLN 20 HA GLN 20 11.284 -5.232 8.644 181 1HB GLN 20 2HB GLN 20 8.901 -6.083 9.622 182 2HB GLN 20 1HB GLN 20 8.703 -6.450 7.909 183 1HG GLN 20 2HG GLN 20 11.346 -7.202 8.720 184 2HG GLN 20 1HG GLN 20 10.172 -7.929 9.821 185 1HE2 GLN 20 1HE2 GLN 20 11.782 -8.609 7.017 186 2HE2 GLN 20 2HE2 GLN 20 10.642 -9.615 6.262 187 H ASP 21 H ASP 21 11.367 -6.499 6.512 188 HA ASP 21 HA ASP 21 10.324 -4.759 4.350 189 1HB ASP 21 2HB ASP 21 12.248 -6.925 3.683 190 2HB ASP 21 1HB ASP 21 12.213 -5.258 3.094 191 H GLY 22 H GLY 22 8.773 -5.745 3.158 192 1HA GLY 22 2HA GLY 22 8.402 -8.601 3.185 193 2HA GLY 22 1HA GLY 22 7.233 -7.737 4.152 194 H ALA 23 H ALA 23 6.462 -9.197 1.879 195 HA ALA 23 HA ALA 23 6.191 -7.380 -0.296 196 1HB ALA 23 1HB ALA 23 6.346 -9.731 -0.775 197 2HB ALA 23 2HB ALA 23 4.710 -9.224 -1.194 198 3HB ALA 23 3HB ALA 23 5.006 -10.092 0.310 199 H LEU 24 H LEU 24 4.704 -6.162 -0.743 200 HA LEU 24 HA LEU 24 2.337 -5.860 1.026 201 1HB LEU 24 2HB LEU 24 4.153 -4.047 -0.282 202 2HB LEU 24 1HB LEU 24 2.507 -3.656 -0.734 203 HG LEU 24 HG LEU 24 3.714 -3.785 2.027 204 1HD1 LEU 24 1HD1 LEU 24 2.890 -1.739 0.097 205 2HD1 LEU 24 2HD1 LEU 24 3.917 -1.581 1.518 206 3HD1 LEU 24 3HD1 LEU 24 2.163 -1.498 1.683 207 1HD2 LEU 24 1HD2 LEU 24 1.668 -4.757 2.523 208 2HD2 LEU 24 2HD2 LEU 24 0.868 -4.034 1.127 209 3HD2 LEU 24 3HD2 LEU 24 1.205 -3.056 2.556 210 H TYR 25 H TYR 25 0.308 -6.099 0.269 211 HA TYR 25 HA TYR 25 -0.081 -6.590 -2.633 212 1HB TYR 25 2HB TYR 25 -1.136 -7.849 -0.134 213 2HB TYR 25 1HB TYR 25 -2.246 -7.700 -1.490 214 HD1 TYR 25 HD1 TYR 25 0.783 -9.321 -0.220 215 HD2 TYR 25 HD2 TYR 25 -1.829 -8.878 -3.597 216 HE1 TYR 25 HE1 TYR 25 1.766 -11.356 -1.241 217 HE2 TYR 25 HE2 TYR 25 -0.845 -10.914 -4.624 218 HH TYR 25 HH TYR 25 0.961 -12.336 -4.517 219 H LEU 26 H LEU 26 -1.696 -5.195 -3.628 220 HA LEU 26 HA LEU 26 -3.135 -3.492 -1.707 221 1HB LEU 26 2HB LEU 26 -1.532 -2.592 -3.641 222 2HB LEU 26 1HB LEU 26 -2.949 -2.904 -4.643 223 HG LEU 26 HG LEU 26 -2.882 -1.170 -2.156 224 1HD1 LEU 26 1HD1 LEU 26 -3.110 0.692 -3.625 225 2HD1 LEU 26 2HD1 LEU 26 -3.445 -0.348 -5.009 226 3HD1 LEU 26 3HD1 LEU 26 -1.823 -0.295 -4.318 227 1HD2 LEU 26 1HD2 LEU 26 -5.233 -0.634 -3.431 228 2HD2 LEU 26 2HD2 LEU 26 -5.082 -1.777 -2.100 229 3HD2 LEU 26 3HD2 LEU 26 -5.066 -2.355 -3.766 230 H MET 27 H MET 27 -5.324 -3.764 -1.675 231 HA MET 27 HA MET 27 -6.509 -5.463 -3.788 232 1HB MET 27 2HB MET 27 -6.592 -6.658 -1.699 233 2HB MET 27 1HB MET 27 -7.136 -5.222 -0.839 234 1HG MET 27 2HG MET 27 -9.305 -5.438 -1.556 235 2HG MET 27 1HG MET 27 -8.824 -6.100 -3.121 236 1HE MET 27 1HE MET 27 -7.269 -8.096 -3.120 237 2HE MET 27 2HE MET 27 -8.774 -8.890 -3.578 238 3HE MET 27 3HE MET 27 -7.721 -9.637 -2.379 239 H ALA 28 H ALA 28 -8.648 -4.835 -4.433 240 HA ALA 28 HA ALA 28 -9.101 -2.275 -5.094 241 1HB ALA 28 1HB ALA 28 -10.935 -3.276 -5.917 242 2HB ALA 28 2HB ALA 28 -11.649 -3.227 -4.305 243 3HB ALA 28 3HB ALA 28 -10.721 -4.639 -4.816 244 H GLU 29 H GLU 29 -10.462 -3.621 -1.983 245 HA GLU 29 HA GLU 29 -10.816 -0.821 -1.198 246 1HB GLU 29 2HB GLU 29 -12.779 -2.252 -1.146 247 2HB GLU 29 1HB GLU 29 -11.913 -3.428 -0.155 248 1HG GLU 29 2HG GLU 29 -12.349 -2.279 1.741 249 2HG GLU 29 1HG GLU 29 -11.832 -0.755 1.021 250 H ARG 30 H ARG 30 -8.285 -2.952 -0.753 251 HA ARG 30 HA ARG 30 -7.680 -1.593 1.737 252 1HB ARG 30 2HB ARG 30 -7.737 -3.358 3.224 253 2HB ARG 30 1HB ARG 30 -9.170 -3.649 2.262 254 1HG ARG 30 2HG ARG 30 -7.040 -4.952 0.942 255 2HG ARG 30 1HG ARG 30 -6.863 -5.318 2.657 256 1HD ARG 30 2HD ARG 30 -8.358 -6.956 1.551 257 2HD ARG 30 1HD ARG 30 -9.218 -6.019 2.766 258 HE ARG 30 HE ARG 30 -9.464 -4.656 0.330 259 1HH1 ARG 30 1HH2 ARG 30 -10.265 -7.712 1.732 260 2HH1 ARG 30 2HH2 ARG 30 -11.652 -7.955 0.724 261 1HH2 ARG 30 1HH1 ARG 30 -11.272 -4.969 -0.989 262 2HH2 ARG 30 2HH1 ARG 30 -12.221 -6.406 -0.812 263 H ILE 31 H ILE 31 -5.613 -2.214 2.673 264 HA ILE 31 HA ILE 31 -3.698 -2.986 0.543 265 HB ILE 31 HB ILE 31 -3.705 -0.908 2.673 266 1HG1 ILE 31 2HG1 ILE 31 -3.761 -0.584 0.143 267 2HG1 ILE 31 1HG1 ILE 31 -2.529 0.339 1.004 268 1HG2 ILE 31 1HG2 ILE 31 -1.121 -2.313 1.910 269 2HG2 ILE 31 2HG2 ILE 31 -1.925 -2.490 3.470 270 3HG2 ILE 31 3HG2 ILE 31 -1.288 -0.921 2.980 271 1HD1 ILE 31 1HD1 ILE 31 -1.519 -0.687 -0.963 272 2HD1 ILE 31 2HD1 ILE 31 -2.112 -2.275 -0.474 273 3HD1 ILE 31 3HD1 ILE 31 -0.876 -1.461 0.485 274 H ALA 32 H ALA 32 -2.724 -4.946 0.861 275 HA ALA 32 HA ALA 32 -2.808 -6.078 3.593 276 1HB ALA 32 1HB ALA 32 -2.207 -7.950 1.456 277 2HB ALA 32 2HB ALA 32 -3.737 -7.115 1.188 278 3HB ALA 32 3HB ALA 32 -3.474 -8.017 2.681 279 H TRP 33 H TRP 33 -1.079 -7.406 4.245 280 HA TRP 33 HA TRP 33 1.487 -6.861 2.879 281 1HB TRP 33 2HB TRP 33 1.169 -5.326 4.860 282 2HB TRP 33 1HB TRP 33 1.157 -6.756 5.878 283 HD1 TRP 33 HD1 TRP 33 3.372 -5.911 2.860 284 HE1 TRP 33 HE1 TRP 33 5.812 -6.041 3.646 285 HE3 TRP 33 HE3 TRP 33 2.794 -7.133 7.795 286 HZ2 TRP 33 HZ2 TRP 33 7.343 -6.592 5.870 287 HZ3 TRP 33 HZ3 TRP 33 4.787 -7.523 9.200 288 HH2 TRP 33 HH2 TRP 33 7.065 -7.276 8.246 289 H ALA 34 H ALA 34 2.888 -8.592 2.928 290 HA ALA 34 HA ALA 34 2.357 -10.794 4.717 291 1HB ALA 34 1HB ALA 34 1.217 -10.826 2.151 292 2HB ALA 34 2HB ALA 34 1.289 -12.136 3.331 293 3HB ALA 34 3HB ALA 34 2.564 -11.966 2.123 294 HA PRO 35 HA PRO 35 6.606 -11.383 3.643 295 1HB PRO 35 2HB PRO 35 6.938 -13.592 5.422 296 2HB PRO 35 1HB PRO 35 7.263 -11.887 5.762 297 1HG PRO 35 2HG PRO 35 5.102 -13.524 6.766 298 2HG PRO 35 1HG PRO 35 5.478 -11.842 7.163 299 1HD PRO 35 2HD PRO 35 3.321 -12.821 5.538 300 2HD PRO 35 1HD PRO 35 3.722 -11.136 5.916 301 H GLU 36 H GLU 36 7.920 -13.980 3.881 302 HA GLU 36 HA GLU 36 6.689 -15.294 1.536 303 1HB GLU 36 2HB GLU 36 9.046 -16.290 1.318 304 2HB GLU 36 1HB GLU 36 8.878 -14.569 0.967 305 1HG GLU 36 2HG GLU 36 9.736 -13.958 3.125 306 2HG GLU 36 1HG GLU 36 9.653 -15.625 3.696 307 H GLY 37 H GLY 37 5.234 -16.509 2.994 308 1HA GLY 37 2HA GLY 37 6.460 -19.002 3.809 309 2HA GLY 37 1HA GLY 37 5.822 -18.050 5.150 310 H LYS 38 H LYS 38 4.465 -20.215 5.139 311 HA LYS 38 HA LYS 38 2.404 -20.454 3.166 312 1HB LYS 38 2HB LYS 38 3.341 -22.147 5.013 313 2HB LYS 38 1HB LYS 38 2.003 -21.474 5.945 314 1HG LYS 38 2HG LYS 38 0.422 -22.461 4.634 315 2HG LYS 38 1HG LYS 38 1.343 -22.193 3.153 316 1HD LYS 38 2HD LYS 38 2.853 -24.028 4.676 317 2HD LYS 38 1HD LYS 38 1.180 -24.579 4.778 318 1HE LYS 38 2HE LYS 38 2.399 -23.771 2.139 319 2HE LYS 38 1HE LYS 38 2.587 -25.407 2.771 320 1HZ LYS 38 1HZ LYS 38 -0.030 -24.173 2.579 321 2HZ LYS 38 2HZ LYS 38 0.328 -25.730 2.675 322 3HZ LYS 38 3HZ LYS 38 0.608 -24.927 1.319 323 H ASP 39 H ASP 39 2.190 -17.891 3.526 324 HA ASP 39 HA ASP 39 -0.388 -17.484 4.633 325 1HB ASP 39 2HB ASP 39 1.598 -17.214 6.531 326 2HB ASP 39 1HB ASP 39 1.509 -15.580 5.873 327 H ARG 40 H ARG 40 -1.224 -15.656 3.233 328 HA ARG 40 HA ARG 40 0.989 -14.342 1.814 329 1HB ARG 40 2HB ARG 40 -1.740 -15.242 0.926 330 2HB ARG 40 1HB ARG 40 -0.875 -13.969 0.079 331 1HG ARG 40 2HG ARG 40 -0.003 -15.724 -1.106 332 2HG ARG 40 1HG ARG 40 1.101 -15.816 0.266 333 1HD ARG 40 2HD ARG 40 0.257 -17.805 0.914 334 2HD ARG 40 1HD ARG 40 -1.397 -17.199 0.825 335 HE ARG 40 HE ARG 40 -0.692 -17.565 -1.792 336 1HH1 ARG 40 1HH2 ARG 40 -0.651 -19.458 1.100 337 2HH1 ARG 40 2HH2 ARG 40 -0.910 -20.957 0.274 338 1HH2 ARG 40 1HH1 ARG 40 -1.030 -19.517 -2.875 339 2HH2 ARG 40 2HH1 ARG 40 -1.124 -20.992 -1.971 340 H PHE 41 H PHE 41 -1.411 -13.897 4.042 341 HA PHE 41 HA PHE 41 -1.417 -11.018 3.454 342 1HB PHE 41 2HB PHE 41 -3.780 -12.804 3.963 343 2HB PHE 41 1HB PHE 41 -3.850 -11.069 4.301 344 HD1 PHE 41 HD1 PHE 41 -4.860 -13.227 1.918 345 HD2 PHE 41 HD2 PHE 41 -2.265 -9.824 2.307 346 HE1 PHE 41 HE1 PHE 41 -5.104 -12.774 -0.507 347 HE2 PHE 41 HE2 PHE 41 -2.512 -9.366 -0.128 348 HZ PHE 41 HZ PHE 41 -3.926 -10.849 -1.528 349 H THR 42 H THR 42 0.213 -10.946 5.132 350 HA THR 42 HA THR 42 -0.267 -11.776 7.786 351 HB THR 42 HB THR 42 1.895 -10.799 6.512 352 HG1 THR 42 HG1 THR 42 2.014 -11.706 8.526 353 1HG2 THR 42 1HG2 THR 42 1.481 -8.403 8.173 354 2HG2 THR 42 2HG2 THR 42 0.510 -8.458 6.708 355 3HG2 THR 42 3HG2 THR 42 2.257 -8.576 6.601 356 H ILE 43 H ILE 43 -1.098 -8.979 5.929 357 HA ILE 43 HA ILE 43 -3.146 -8.278 7.935 358 HB ILE 43 HB ILE 43 -2.453 -5.949 8.125 359 1HG1 ILE 43 2HG1 ILE 43 0.123 -5.813 7.183 360 2HG1 ILE 43 1HG1 ILE 43 -0.667 -6.792 5.948 361 1HG2 ILE 43 1HG2 ILE 43 -0.228 -7.932 8.679 362 2HG2 ILE 43 2HG2 ILE 43 -1.549 -7.514 9.768 363 3HG2 ILE 43 3HG2 ILE 43 -0.322 -6.312 9.368 364 1HD1 ILE 43 1HD1 ILE 43 -2.368 -4.585 6.720 365 2HD1 ILE 43 2HD1 ILE 43 -1.743 -5.002 5.124 366 3HD1 ILE 43 3HD1 ILE 43 -0.785 -3.997 6.211 367 H SER 44 H SER 44 -4.424 -6.317 7.209 368 HA SER 44 HA SER 44 -4.510 -5.642 4.445 369 1HB SER 44 2HB SER 44 -5.928 -8.020 5.293 370 2HB SER 44 1HB SER 44 -7.067 -6.786 4.764 371 HG SER 44 HG SER 44 -5.538 -8.349 3.279 372 H HIS 45 H HIS 45 -5.058 -3.502 4.786 373 HA HIS 45 HA HIS 45 -7.056 -2.953 6.904 374 1HB HIS 45 2HB HIS 45 -5.815 -0.591 5.834 375 2HB HIS 45 1HB HIS 45 -5.826 -1.166 7.498 376 HD1 HIS 45 HD1 HIS 45 -3.601 -1.865 8.393 377 HD2 HIS 45 HD2 HIS 45 -3.690 -1.953 4.230 378 HE1 HIS 45 HE1 HIS 45 -1.243 -2.400 7.642 379 H MET 46 H MET 46 -9.034 -2.579 6.110 380 HA MET 46 HA MET 46 -9.548 -2.174 3.364 381 1HB MET 46 2HB MET 46 -11.070 -2.470 5.802 382 2HB MET 46 1HB MET 46 -11.740 -1.175 4.812 383 1HG MET 46 2HG MET 46 -12.727 -2.767 3.557 384 2HG MET 46 1HG MET 46 -11.117 -3.213 2.991 385 1HE MET 46 1HE MET 46 -13.660 -5.782 3.538 386 2HE MET 46 2HE MET 46 -12.110 -6.572 3.255 387 3HE MET 46 3HE MET 46 -12.485 -5.061 2.429 388 H TYR 47 H TYR 47 -9.039 -0.407 2.302 389 HA TYR 47 HA TYR 47 -8.166 2.011 3.135 390 1HB TYR 47 2HB TYR 47 -9.830 1.200 0.762 391 2HB TYR 47 1HB TYR 47 -9.486 2.902 1.022 392 HD1 TYR 47 HD1 TYR 47 -6.673 1.745 2.490 393 HD2 TYR 47 HD2 TYR 47 -8.492 1.590 -1.415 394 HE1 TYR 47 HE1 TYR 47 -4.463 1.472 1.456 395 HE2 TYR 47 HE2 TYR 47 -6.276 1.329 -2.416 396 HH TYR 47 HH TYR 47 -4.080 1.316 -2.072 397 H ALA 48 H ALA 48 -11.686 1.205 2.875 398 HA ALA 48 HA ALA 48 -12.499 3.794 3.847 399 1HB ALA 48 1HB ALA 48 -14.681 2.571 4.314 400 2HB ALA 48 2HB ALA 48 -13.900 1.111 3.706 401 3HB ALA 48 3HB ALA 48 -14.128 2.498 2.640 402 H ASP 49 H ASP 49 -11.784 0.714 5.216 403 HA ASP 49 HA ASP 49 -12.497 1.216 7.938 404 1HB ASP 49 2HB ASP 49 -10.585 -0.757 6.666 405 2HB ASP 49 1HB ASP 49 -10.970 -0.744 8.387 406 H ILE 50 H ILE 50 -10.200 2.616 6.052 407 HA ILE 50 HA ILE 50 -8.641 3.412 8.423 408 HB ILE 50 HB ILE 50 -6.555 3.248 7.092 409 1HG1 ILE 50 2HG1 ILE 50 -8.476 2.121 5.048 410 2HG1 ILE 50 1HG1 ILE 50 -7.367 3.475 4.852 411 1HG2 ILE 50 1HG2 ILE 50 -7.584 0.519 6.759 412 2HG2 ILE 50 2HG2 ILE 50 -7.946 1.218 8.337 413 3HG2 ILE 50 3HG2 ILE 50 -6.275 1.107 7.784 414 1HD1 ILE 50 1HD1 ILE 50 -5.799 2.053 4.096 415 2HD1 ILE 50 2HD1 ILE 50 -6.875 0.683 4.379 416 3HD1 ILE 50 3HD1 ILE 50 -5.807 1.248 5.664 417 H LYS 51 H LYS 51 -8.141 5.768 8.334 418 HA LYS 51 HA LYS 51 -8.495 6.908 5.661 419 1HB LYS 51 2HB LYS 51 -10.693 6.987 7.019 420 2HB LYS 51 1HB LYS 51 -9.882 8.252 7.949 421 1HG LYS 51 2HG LYS 51 -10.047 8.253 4.933 422 2HG LYS 51 1HG LYS 51 -11.185 9.127 5.963 423 1HD LYS 51 2HD LYS 51 -9.022 10.144 7.034 424 2HD LYS 51 1HD LYS 51 -8.235 9.606 5.548 425 1HE LYS 51 2HE LYS 51 -9.025 11.433 4.497 426 2HE LYS 51 1HE LYS 51 -10.672 10.879 4.799 427 1HZ LYS 51 1HZ LYS 51 -9.707 13.092 5.797 428 2HZ LYS 51 2HZ LYS 51 -9.334 12.107 7.002 429 3HZ LYS 51 3HZ LYS 51 -10.856 12.251 6.528 430 H CYS 52 H CYS 52 -6.567 7.685 5.457 431 HA CYS 52 HA CYS 52 -5.838 10.135 6.427 432 1HB CYS 52 2HB CYS 52 -5.104 7.928 8.170 433 2HB CYS 52 1HB CYS 52 -3.742 8.946 7.720 434 HG CYS 52 HG CYS 52 -6.100 10.646 8.578 435 H GLN 53 H GLN 53 -4.448 10.778 4.844 436 HA GLN 53 HA GLN 53 -2.601 8.718 3.818 437 1HB GLN 53 2HB GLN 53 -4.810 10.053 2.346 438 2HB GLN 53 1HB GLN 53 -3.290 9.832 1.478 439 1HG GLN 53 2HG GLN 53 -3.652 7.399 2.770 440 2HG GLN 53 1HG GLN 53 -5.282 7.840 2.260 441 1HE2 GLN 53 1HE2 GLN 53 -4.854 5.872 0.746 442 2HE2 GLN 53 2HE2 GLN 53 -4.109 6.202 -0.743 443 H LYS 54 H LYS 54 -0.665 9.466 3.783 444 HA LYS 54 HA LYS 54 -0.158 12.284 3.082 445 1HB LYS 54 2HB LYS 54 0.324 12.465 5.334 446 2HB LYS 54 1HB LYS 54 0.568 10.727 5.520 447 1HG LYS 54 2HG LYS 54 2.798 10.838 4.939 448 2HG LYS 54 1HG LYS 54 2.571 12.242 3.895 449 1HD LYS 54 2HD LYS 54 2.861 13.722 5.606 450 2HD LYS 54 1HD LYS 54 1.996 12.706 6.760 451 1HE LYS 54 2HE LYS 54 4.480 12.970 7.217 452 2HE LYS 54 1HE LYS 54 3.917 11.303 7.093 453 1HZ LYS 54 1HZ LYS 54 5.110 12.793 4.889 454 2HZ LYS 54 2HZ LYS 54 4.710 11.244 4.879 455 3HZ LYS 54 3HZ LYS 54 5.913 11.753 5.803 456 H ILE 55 H ILE 55 0.952 12.099 1.150 457 HA ILE 55 HA ILE 55 3.013 9.978 1.035 458 HB ILE 55 HB ILE 55 1.531 10.909 -1.411 459 1HG1 ILE 55 2HG1 ILE 55 -0.097 10.124 0.385 460 2HG1 ILE 55 1HG1 ILE 55 -0.131 9.200 -1.117 461 1HG2 ILE 55 1HG2 ILE 55 3.365 8.711 -0.605 462 2HG2 ILE 55 2HG2 ILE 55 3.234 9.560 -2.144 463 3HG2 ILE 55 3HG2 ILE 55 2.085 8.285 -1.741 464 1HD1 ILE 55 1HD1 ILE 55 1.462 8.415 1.340 465 2HD1 ILE 55 2HD1 ILE 55 1.272 7.468 -0.136 466 3HD1 ILE 55 3HD1 ILE 55 -0.115 7.745 0.918 467 H SER 56 H SER 56 4.809 11.245 1.318 468 HA SER 56 HA SER 56 5.077 13.520 -0.545 469 1HB SER 56 2HB SER 56 5.808 13.200 2.326 470 2HB SER 56 1HB SER 56 6.878 14.160 1.309 471 HG SER 56 HG SER 56 5.042 15.271 2.363 472 HA PRO 57 HA PRO 57 8.697 10.546 -0.640 473 1HB PRO 57 2HB PRO 57 7.869 8.884 -2.847 474 2HB PRO 57 1HB PRO 57 8.305 8.434 -1.197 475 1HG PRO 57 2HG PRO 57 5.707 8.462 -2.344 476 2HG PRO 57 1HG PRO 57 6.128 8.014 -0.706 477 1HD PRO 57 2HD PRO 57 4.801 10.417 -1.594 478 2HD PRO 57 1HD PRO 57 5.208 9.933 0.061 479 H GLU 58 H GLU 58 6.833 12.459 -2.641 480 HA GLU 58 HA GLU 58 8.408 12.447 -5.009 481 1HB GLU 58 2HB GLU 58 6.088 13.519 -4.612 482 2HB GLU 58 1HB GLU 58 6.977 14.862 -3.892 483 1HG GLU 58 2HG GLU 58 7.647 15.627 -5.910 484 2HG GLU 58 1HG GLU 58 8.117 14.014 -6.448 485 H GLY 59 H GLY 59 9.063 13.405 -1.807 486 1HA GLY 59 2HA GLY 59 11.500 14.756 -2.728 487 2HA GLY 59 1HA GLY 59 10.479 15.559 -1.532 488 H LYS 60 H LYS 60 10.533 12.116 -1.418 489 HA LYS 60 HA LYS 60 11.931 12.246 1.156 490 1HB LYS 60 2HB LYS 60 10.356 10.079 -0.279 491 2HB LYS 60 1HB LYS 60 11.212 9.778 1.230 492 1HG LYS 60 2HG LYS 60 9.341 12.119 1.047 493 2HG LYS 60 1HG LYS 60 8.691 10.502 1.315 494 1HD LYS 60 2HD LYS 60 10.825 10.629 3.084 495 2HD LYS 60 1HD LYS 60 10.141 12.253 3.159 496 1HE LYS 60 2HE LYS 60 7.925 11.337 3.628 497 2HE LYS 60 1HE LYS 60 8.541 9.694 3.456 498 1HZ LYS 60 1HZ LYS 60 9.622 11.557 5.410 499 2HZ LYS 60 2HZ LYS 60 9.824 9.971 5.356 500 3HZ LYS 60 3HZ LYS 60 8.400 10.582 5.757 501 H ALA 61 H ALA 61 12.412 9.201 -0.036 502 HA ALA 61 HA ALA 61 15.028 9.934 -1.174 503 1HB ALA 61 1HB ALA 61 16.032 8.526 0.283 504 2HB ALA 61 2HB ALA 61 14.894 7.236 -0.108 505 3HB ALA 61 3HB ALA 61 14.494 8.416 1.141 506 H LYS 62 H LYS 62 12.067 8.128 -1.358 507 HA LYS 62 HA LYS 62 12.441 7.597 -4.088 508 1HB LYS 62 2HB LYS 62 12.022 4.968 -3.325 509 2HB LYS 62 1HB LYS 62 13.495 5.629 -4.029 510 1HG LYS 62 2HG LYS 62 14.358 6.160 -1.786 511 2HG LYS 62 1HG LYS 62 12.880 5.535 -1.059 512 1HD LYS 62 2HD LYS 62 14.454 3.766 -0.924 513 2HD LYS 62 1HD LYS 62 13.413 3.351 -2.284 514 1HE LYS 62 2HE LYS 62 15.336 3.138 -3.467 515 2HE LYS 62 1HE LYS 62 15.361 4.901 -3.476 516 1HZ LYS 62 1HZ LYS 62 16.762 3.108 -1.673 517 2HZ LYS 62 2HZ LYS 62 16.525 4.643 -1.288 518 3HZ LYS 62 3HZ LYS 62 17.376 4.268 -2.590 519 H ILE 63 H ILE 63 10.802 5.717 -1.720 520 HA ILE 63 HA ILE 63 8.296 7.023 -2.311 521 HB ILE 63 HB ILE 63 8.270 5.933 -4.287 522 1HG1 ILE 63 2HG1 ILE 63 7.052 3.531 -3.185 523 2HG1 ILE 63 1HG1 ILE 63 6.488 4.970 -2.335 524 1HG2 ILE 63 1HG2 ILE 63 10.081 4.137 -2.918 525 2HG2 ILE 63 2HG2 ILE 63 9.859 4.367 -4.653 526 3HG2 ILE 63 3HG2 ILE 63 8.864 3.203 -3.783 527 1HD1 ILE 63 1HD1 ILE 63 5.252 4.217 -4.515 528 2HD1 ILE 63 2HD1 ILE 63 6.622 4.964 -5.336 529 3HD1 ILE 63 3HD1 ILE 63 5.598 5.929 -4.272 530 H GLN 64 H GLN 64 8.258 7.189 -0.051 531 HA GLN 64 HA GLN 64 7.389 4.692 1.299 532 1HB GLN 64 2HB GLN 64 7.884 6.269 3.399 533 2HB GLN 64 1HB GLN 64 9.172 5.329 2.646 534 1HG GLN 64 2HG GLN 64 9.650 7.341 1.182 535 2HG GLN 64 1HG GLN 64 8.526 8.253 2.191 536 1HE2 GLN 64 1HE2 GLN 64 11.098 5.833 2.962 537 2HE2 GLN 64 2HE2 GLN 64 11.883 6.817 4.100 538 H LEU 65 H LEU 65 5.254 4.755 2.081 539 HA LEU 65 HA LEU 65 3.980 7.409 1.905 540 1HB LEU 65 2HB LEU 65 1.882 6.231 1.235 541 2HB LEU 65 1HB LEU 65 3.190 6.094 0.070 542 HG LEU 65 HG LEU 65 1.891 3.963 0.513 543 1HD1 LEU 65 1HD1 LEU 65 3.706 2.850 -0.170 544 2HD1 LEU 65 2HD1 LEU 65 4.575 3.182 1.325 545 3HD1 LEU 65 3HD1 LEU 65 4.582 4.368 0.019 546 1HD2 LEU 65 1HD2 LEU 65 3.485 3.752 3.051 547 2HD2 LEU 65 2HD2 LEU 65 2.116 2.776 2.524 548 3HD2 LEU 65 3HD2 LEU 65 1.860 4.436 3.060 549 H GLN 66 H GLN 66 1.923 7.560 3.255 550 HA GLN 66 HA GLN 66 2.050 5.871 5.662 551 1HB GLN 66 2HB GLN 66 3.173 8.419 5.571 552 2HB GLN 66 1HB GLN 66 1.595 8.672 6.317 553 1HG GLN 66 2HG GLN 66 2.175 6.630 7.790 554 2HG GLN 66 1HG GLN 66 3.833 6.873 7.240 555 1HE2 GLN 66 1HE2 GLN 66 1.135 8.944 8.478 556 2HE2 GLN 66 2HE2 GLN 66 2.127 9.872 9.495 557 H LEU 67 H LEU 67 0.070 5.306 6.289 558 HA LEU 67 HA LEU 67 -2.246 6.994 5.544 559 1HB LEU 67 2HB LEU 67 -2.079 5.101 3.957 560 2HB LEU 67 1HB LEU 67 -2.028 3.971 5.308 561 HG LEU 67 HG LEU 67 -4.309 5.757 5.529 562 1HD1 LEU 67 1HD1 LEU 67 -5.323 4.201 3.508 563 2HD1 LEU 67 2HD1 LEU 67 -3.715 4.587 2.890 564 3HD1 LEU 67 3HD1 LEU 67 -4.829 5.885 3.318 565 1HD2 LEU 67 1HD2 LEU 67 -3.924 2.765 5.280 566 2HD2 LEU 67 2HD2 LEU 67 -5.478 3.530 5.601 567 3HD2 LEU 67 3HD2 LEU 67 -4.164 3.687 6.765 568 H VAL 68 H VAL 68 -3.984 6.865 7.104 569 HA VAL 68 HA VAL 68 -3.206 5.364 9.508 570 HB VAL 68 HB VAL 68 -4.702 7.927 9.837 571 1HG1 VAL 68 1HG1 VAL 68 -2.937 6.111 11.465 572 2HG1 VAL 68 2HG1 VAL 68 -4.595 6.620 11.808 573 3HG1 VAL 68 3HG1 VAL 68 -3.266 7.762 11.983 574 1HG2 VAL 68 1HG2 VAL 68 -2.111 7.732 8.724 575 2HG2 VAL 68 2HG2 VAL 68 -1.904 8.159 10.420 576 3HG2 VAL 68 3HG2 VAL 68 -2.887 9.180 9.367 577 H LEU 69 H LEU 69 -4.858 4.861 10.911 578 HA LEU 69 HA LEU 69 -7.199 3.930 9.460 579 1HB LEU 69 2HB LEU 69 -6.216 3.392 12.274 580 2HB LEU 69 1HB LEU 69 -7.366 2.416 11.387 581 HG LEU 69 HG LEU 69 -4.476 2.249 11.403 582 1HD1 LEU 69 1HD1 LEU 69 -5.532 0.210 11.443 583 2HD1 LEU 69 2HD1 LEU 69 -5.079 0.326 9.739 584 3HD1 LEU 69 3HD1 LEU 69 -6.732 0.694 10.242 585 1HD2 LEU 69 1HD2 LEU 69 -5.667 3.087 8.789 586 2HD2 LEU 69 2HD2 LEU 69 -4.381 1.885 8.800 587 3HD2 LEU 69 3HD2 LEU 69 -4.095 3.482 9.485 588 H HIS 70 H HIS 70 -9.353 4.544 10.096 589 HA HIS 70 HA HIS 70 -9.834 7.077 11.095 590 1HB HIS 70 2HB HIS 70 -12.041 6.006 11.997 591 2HB HIS 70 1HB HIS 70 -11.747 5.973 10.259 592 HD1 HIS 70 HD1 HIS 70 -11.105 3.731 13.286 593 HD2 HIS 70 HD2 HIS 70 -11.895 3.434 9.204 594 HE1 HIS 70 HE1 HIS 70 -11.332 1.260 12.779 595 H ALA 71 H ALA 71 -9.062 4.122 12.669 596 HA ALA 71 HA ALA 71 -9.455 5.079 15.366 597 1HB ALA 71 1HB ALA 71 -9.373 2.602 14.464 598 2HB ALA 71 2HB ALA 71 -8.686 2.974 16.045 599 3HB ALA 71 3HB ALA 71 -7.629 2.799 14.644 600 H GLY 72 H GLY 72 -6.787 4.047 16.223 601 1HA GLY 72 2HA GLY 72 -5.215 6.398 15.387 602 2HA GLY 72 1HA GLY 72 -5.132 5.660 16.987 603 H ASP 73 H ASP 73 -5.006 4.393 13.718 604 HA ASP 73 HA ASP 73 -2.393 3.184 14.424 605 1HB ASP 73 2HB ASP 73 -4.840 1.912 13.250 606 2HB ASP 73 1HB ASP 73 -3.251 1.311 12.773 607 H THR 74 H THR 74 -0.839 3.608 12.990 608 HA THR 74 HA THR 74 -1.670 4.851 10.452 609 HB THR 74 HB THR 74 1.111 4.981 11.573 610 HG1 THR 74 HG1 THR 74 -0.911 6.844 12.203 611 1HG2 THR 74 1HG2 THR 74 0.333 7.424 10.502 612 2HG2 THR 74 2HG2 THR 74 -0.468 6.243 9.465 613 3HG2 THR 74 3HG2 THR 74 1.282 6.189 9.674 614 H THR 75 H THR 75 -0.370 4.290 8.547 615 HA THR 75 HA THR 75 0.863 1.625 8.805 616 HB THR 75 HB THR 75 -0.331 2.331 6.200 617 HG1 THR 75 HG1 THR 75 -2.375 2.307 6.832 618 1HG2 THR 75 1HG2 THR 75 -1.006 -0.109 7.781 619 2HG2 THR 75 2HG2 THR 75 0.662 0.087 7.245 620 3HG2 THR 75 3HG2 THR 75 -0.646 0.051 6.062 621 H ASN 76 H ASN 76 3.039 1.935 8.339 622 HA ASN 76 HA ASN 76 3.680 4.092 6.423 623 1HB ASN 76 2HB ASN 76 5.429 2.779 8.530 624 2HB ASN 76 1HB ASN 76 5.912 4.097 7.462 625 1HD2 ASN 76 1HD2 ASN 76 3.225 3.374 9.775 626 2HD2 ASN 76 2HD2 ASN 76 3.178 4.941 10.427 627 H PHE 77 H PHE 77 4.579 3.408 4.486 628 HA PHE 77 HA PHE 77 5.787 0.733 4.499 629 1HB PHE 77 2HB PHE 77 3.189 1.324 3.432 630 2HB PHE 77 1HB PHE 77 4.281 0.871 2.131 631 HD1 PHE 77 HD1 PHE 77 6.135 -0.926 3.482 632 HD2 PHE 77 HD2 PHE 77 1.874 -0.651 3.829 633 HE1 PHE 77 HE1 PHE 77 6.050 -3.292 4.121 634 HE2 PHE 77 HE2 PHE 77 1.780 -3.032 4.474 635 HZ PHE 77 HZ PHE 77 3.893 -4.335 4.611 636 H HIS 78 H HIS 78 7.152 0.347 2.782 637 HA HIS 78 HA HIS 78 7.749 2.566 0.954 638 1HB HIS 78 2HB HIS 78 9.035 3.007 3.042 639 2HB HIS 78 1HB HIS 78 9.853 1.467 2.832 640 HD1 HIS 78 HD1 HIS 78 11.705 1.323 1.160 641 HD2 HIS 78 HD2 HIS 78 9.709 4.976 0.891 642 HE1 HIS 78 HE1 HIS 78 12.958 2.738 -0.502 643 H PHE 79 H PHE 79 9.346 2.094 -0.549 644 HA PHE 79 HA PHE 79 9.800 -0.780 -1.206 645 1HB PHE 79 2HB PHE 79 9.183 1.451 -3.144 646 2HB PHE 79 1HB PHE 79 9.248 -0.269 -3.486 647 HD1 PHE 79 HD1 PHE 79 7.337 2.449 -1.864 648 HD2 PHE 79 HD2 PHE 79 7.314 -1.713 -2.948 649 HE1 PHE 79 HE1 PHE 79 4.885 2.357 -1.454 650 HE2 PHE 79 HE2 PHE 79 4.892 -1.808 -2.495 651 HZ PHE 79 HZ PHE 79 3.679 0.199 -1.756 652 H SER 80 H SER 80 12.222 -1.011 -2.049 653 HA SER 80 HA SER 80 13.382 1.570 -2.651 654 1HB SER 80 2HB SER 80 13.455 1.092 -0.120 655 2HB SER 80 1HB SER 80 14.661 -0.122 -0.532 656 HG SER 80 HG SER 80 16.039 1.435 -0.745 657 H ASN 81 H ASN 81 13.536 -1.917 -2.836 658 HA ASN 81 HA ASN 81 16.134 -2.438 -3.509 659 1HB ASN 81 2HB ASN 81 14.144 -3.480 -5.466 660 2HB ASN 81 1HB ASN 81 15.424 -4.330 -4.607 661 1HD2 ASN 81 1HD2 ASN 81 12.119 -3.082 -4.294 662 2HD2 ASN 81 2HD2 ASN 81 11.721 -4.004 -2.932 663 H GLU 82 H GLU 82 17.409 -1.045 -4.641 664 HA GLU 82 HA GLU 82 16.811 0.873 -6.439 665 1HB GLU 82 2HB GLU 82 19.029 0.567 -7.417 666 2HB GLU 82 1HB GLU 82 19.108 0.319 -5.672 667 1HG GLU 82 2HG GLU 82 18.764 -2.178 -6.177 668 2HG GLU 82 1HG GLU 82 19.131 -1.769 -7.854 669 H SER 83 H SER 83 17.143 -2.583 -7.248 670 HA SER 83 HA SER 83 16.843 -2.376 -10.011 671 1HB SER 83 2HB SER 83 17.025 -4.437 -8.199 672 2HB SER 83 1HB SER 83 15.371 -4.602 -8.780 673 HG SER 83 HG SER 83 17.774 -4.541 -10.289 674 H THR 84 H THR 84 14.393 -2.361 -7.447 675 HA THR 84 HA THR 84 12.456 -1.481 -9.495 676 HB THR 84 HB THR 84 11.772 -3.716 -9.096 677 HG1 THR 84 HG1 THR 84 9.844 -3.198 -8.502 678 1HG2 THR 84 1HG2 THR 84 13.298 -4.277 -7.323 679 2HG2 THR 84 2HG2 THR 84 11.665 -4.642 -6.765 680 3HG2 THR 84 3HG2 THR 84 12.479 -3.179 -6.212 681 H ALA 85 H ALA 85 14.028 0.126 -7.667 682 HA ALA 85 HA ALA 85 12.158 0.740 -5.526 683 1HB ALA 85 1HB ALA 85 14.548 2.437 -5.845 684 2HB ALA 85 2HB ALA 85 14.871 0.725 -5.592 685 3HB ALA 85 3HB ALA 85 13.922 1.625 -4.413 686 H VAL 86 H VAL 86 11.518 1.711 -8.512 687 HA VAL 86 HA VAL 86 10.969 4.409 -7.538 688 HB VAL 86 HB VAL 86 12.355 3.788 -10.157 689 1HG1 VAL 86 1HG1 VAL 86 12.415 6.331 -10.282 690 2HG1 VAL 86 2HG1 VAL 86 11.231 6.339 -8.975 691 3HG1 VAL 86 3HG1 VAL 86 10.828 5.603 -10.525 692 1HG2 VAL 86 1HG2 VAL 86 14.009 5.475 -8.990 693 2HG2 VAL 86 2HG2 VAL 86 14.054 3.767 -8.552 694 3HG2 VAL 86 3HG2 VAL 86 13.221 4.922 -7.512 695 H LYS 87 H LYS 87 10.658 3.791 -10.930 696 HA LYS 87 HA LYS 87 8.113 4.499 -11.333 697 1HB LYS 87 2HB LYS 87 9.881 2.522 -12.619 698 2HB LYS 87 1HB LYS 87 8.164 2.310 -12.962 699 1HG LYS 87 2HG LYS 87 8.765 5.106 -13.092 700 2HG LYS 87 1HG LYS 87 9.946 4.238 -14.074 701 1HD LYS 87 2HD LYS 87 8.401 3.691 -15.634 702 2HD LYS 87 1HD LYS 87 7.224 3.212 -14.411 703 1HE LYS 87 2HE LYS 87 7.658 6.096 -14.428 704 2HE LYS 87 1HE LYS 87 7.101 5.505 -15.993 705 1HZ LYS 87 1HZ LYS 87 5.570 4.208 -14.235 706 2HZ LYS 87 2HZ LYS 87 5.126 5.519 -15.037 707 3HZ LYS 87 3HZ LYS 87 5.699 5.649 -13.549 708 H GLU 88 H GLU 88 8.821 1.040 -10.877 709 HA GLU 88 HA GLU 88 6.384 -0.066 -10.591 710 1HB GLU 88 2HB GLU 88 7.518 -1.258 -8.480 711 2HB GLU 88 1HB GLU 88 8.041 -1.606 -10.118 712 1HG GLU 88 2HG GLU 88 9.399 0.736 -9.092 713 2HG GLU 88 1HG GLU 88 9.625 -0.656 -8.049 714 H ARG 89 H ARG 89 8.094 1.227 -7.790 715 HA ARG 89 HA ARG 89 5.892 1.183 -6.032 716 1HB ARG 89 2HB ARG 89 8.100 3.219 -5.817 717 2HB ARG 89 1HB ARG 89 7.326 2.286 -4.536 718 1HG ARG 89 2HG ARG 89 9.339 1.305 -6.578 719 2HG ARG 89 1HG ARG 89 9.502 1.310 -4.835 720 1HD ARG 89 2HD ARG 89 7.606 -0.290 -4.672 721 2HD ARG 89 1HD ARG 89 7.517 -0.344 -6.421 722 HE ARG 89 HE ARG 89 10.103 -1.000 -5.902 723 1HH1 ARG 89 1HH2 ARG 89 6.983 -2.048 -4.836 724 2HH1 ARG 89 2HH2 ARG 89 7.486 -3.681 -4.561 725 1HH2 ARG 89 1HH1 ARG 89 10.756 -3.127 -5.537 726 2HH2 ARG 89 2HH1 ARG 89 9.617 -4.291 -4.957 727 H ASP 90 H ASP 90 7.355 3.670 -7.981 728 HA ASP 90 HA ASP 90 5.657 5.819 -7.423 729 1HB ASP 90 2HB ASP 90 7.389 5.019 -9.678 730 2HB ASP 90 1HB ASP 90 6.087 6.128 -10.108 731 H ALA 91 H ALA 91 4.905 2.799 -8.905 732 HA ALA 91 HA ALA 91 2.457 3.890 -10.103 733 1HB ALA 91 1HB ALA 91 3.346 1.005 -10.152 734 2HB ALA 91 2HB ALA 91 4.000 2.170 -11.303 735 3HB ALA 91 3HB ALA 91 2.268 1.841 -11.270 736 H VAL 92 H VAL 92 3.805 1.954 -7.524 737 HA VAL 92 HA VAL 92 1.329 0.871 -6.550 738 HB VAL 92 HB VAL 92 4.067 1.346 -5.351 739 1HG1 VAL 92 1HG1 VAL 92 1.525 1.173 -3.924 740 2HG1 VAL 92 2HG1 VAL 92 3.132 1.556 -3.306 741 3HG1 VAL 92 3HG1 VAL 92 2.626 -0.128 -3.476 742 1HG2 VAL 92 1HG2 VAL 92 2.398 -0.992 -6.189 743 2HG2 VAL 92 2HG2 VAL 92 3.540 -1.206 -4.858 744 3HG2 VAL 92 3HG2 VAL 92 4.119 -0.693 -6.446 745 H LYS 93 H LYS 93 3.404 3.580 -5.553 746 HA LYS 93 HA LYS 93 1.656 4.750 -3.722 747 1HB LYS 93 2HB LYS 93 3.812 5.661 -3.767 748 2HB LYS 93 1HB LYS 93 3.833 5.780 -5.525 749 1HG LYS 93 2HG LYS 93 2.391 7.672 -5.522 750 2HG LYS 93 1HG LYS 93 1.918 7.404 -3.842 751 1HD LYS 93 2HD LYS 93 3.526 9.245 -3.956 752 2HD LYS 93 1HD LYS 93 4.257 7.862 -3.138 753 1HE LYS 93 2HE LYS 93 4.954 7.282 -5.679 754 2HE LYS 93 1HE LYS 93 4.882 9.039 -5.800 755 1HZ LYS 93 1HZ LYS 93 6.426 7.559 -3.815 756 2HZ LYS 93 2HZ LYS 93 6.375 9.153 -3.951 757 3HZ LYS 93 3HZ LYS 93 7.039 8.273 -5.111 758 H ASP 94 H ASP 94 2.039 5.330 -7.276 759 HA ASP 94 HA ASP 94 0.097 7.178 -7.764 760 1HB ASP 94 2HB ASP 94 0.919 4.683 -9.196 761 2HB ASP 94 1HB ASP 94 -0.517 5.535 -9.765 762 H LEU 95 H LEU 95 -0.763 3.698 -7.924 763 HA LEU 95 HA LEU 95 -3.474 3.901 -7.824 764 1HB LEU 95 2HB LEU 95 -2.339 1.931 -5.894 765 2HB LEU 95 1HB LEU 95 -3.583 1.711 -7.122 766 HG LEU 95 HG LEU 95 -0.603 1.867 -7.519 767 1HD1 LEU 95 1HD1 LEU 95 -1.153 -0.344 -7.030 768 2HD1 LEU 95 2HD1 LEU 95 -1.301 -0.329 -8.787 769 3HD1 LEU 95 3HD1 LEU 95 -2.744 -0.215 -7.778 770 1HD2 LEU 95 1HD2 LEU 95 -1.958 1.293 -9.955 771 2HD2 LEU 95 2HD2 LEU 95 -0.969 2.705 -9.585 772 3HD2 LEU 95 3HD2 LEU 95 -2.706 2.740 -9.279 773 H LEU 96 H LEU 96 -1.379 3.863 -4.889 774 HA LEU 96 HA LEU 96 -3.194 4.090 -2.897 775 1HB LEU 96 2HB LEU 96 -0.778 5.896 -3.228 776 2HB LEU 96 1HB LEU 96 -1.602 5.561 -1.725 777 HG LEU 96 HG LEU 96 0.181 3.772 -3.344 778 1HD1 LEU 96 1HD1 LEU 96 1.360 4.477 -1.519 779 2HD1 LEU 96 2HD1 LEU 96 0.523 3.128 -0.749 780 3HD1 LEU 96 3HD1 LEU 96 -0.092 4.770 -0.561 781 1HD2 LEU 96 1HD2 LEU 96 -0.726 1.799 -2.142 782 2HD2 LEU 96 2HD2 LEU 96 -1.934 2.515 -3.210 783 3HD2 LEU 96 3HD2 LEU 96 -2.009 2.807 -1.472 784 H GLN 97 H GLN 97 -1.885 7.023 -4.433 785 HA GLN 97 HA GLN 97 -3.996 8.666 -3.422 786 1HB GLN 97 2HB GLN 97 -2.267 9.269 -5.831 787 2HB GLN 97 1HB GLN 97 -3.087 10.423 -4.781 788 1HG GLN 97 2HG GLN 97 -1.182 10.512 -3.579 789 2HG GLN 97 1HG GLN 97 -1.574 8.883 -3.025 790 1HE2 GLN 97 1HE2 GLN 97 -1.226 7.769 -5.815 791 2HE2 GLN 97 2HE2 GLN 97 0.451 7.688 -6.034 792 H GLN 98 H GLN 98 -4.144 6.312 -5.751 793 HA GLN 98 HA GLN 98 -6.078 7.730 -7.430 794 1HB GLN 98 2HB GLN 98 -4.162 6.080 -8.198 795 2HB GLN 98 1HB GLN 98 -5.349 4.845 -7.775 796 1HG GLN 98 2HG GLN 98 -6.559 7.014 -9.299 797 2HG GLN 98 1HG GLN 98 -5.230 6.260 -10.182 798 1HE2 GLN 98 1HE2 GLN 98 -5.372 3.603 -9.539 799 2HE2 GLN 98 2HE2 GLN 98 -6.888 2.953 -9.940 800 H LEU 99 H LEU 99 -5.867 5.092 -5.058 801 HA LEU 99 HA LEU 99 -8.732 4.536 -5.374 802 1HB LEU 99 2HB LEU 99 -7.489 3.315 -3.045 803 2HB LEU 99 1HB LEU 99 -8.269 2.532 -4.399 804 HG LEU 99 HG LEU 99 -5.938 3.321 -5.563 805 1HD1 LEU 99 1HD1 LEU 99 -4.306 2.487 -3.641 806 2HD1 LEU 99 2HD1 LEU 99 -5.599 3.099 -2.607 807 3HD1 LEU 99 3HD1 LEU 99 -4.806 4.171 -3.741 808 1HD2 LEU 99 1HD2 LEU 99 -6.238 1.096 -5.923 809 2HD2 LEU 99 2HD2 LEU 99 -7.004 0.856 -4.353 810 3HD2 LEU 99 3HD2 LEU 99 -5.244 0.887 -4.482 811 H LEU 100 H LEU 100 -6.499 6.180 -3.254 812 HA LEU 100 HA LEU 100 -7.807 6.421 -0.924 813 1HB LEU 100 2HB LEU 100 -5.821 7.614 -0.949 814 2HB LEU 100 1HB LEU 100 -6.157 8.357 -2.506 815 HG LEU 100 HG LEU 100 -8.063 9.091 -0.377 816 1HD1 LEU 100 1HD1 LEU 100 -5.151 9.924 -0.231 817 2HD1 LEU 100 2HD1 LEU 100 -6.031 8.988 0.976 818 3HD1 LEU 100 3HD1 LEU 100 -6.458 10.674 0.685 819 1HD2 LEU 100 1HD2 LEU 100 -7.290 11.401 -1.339 820 2HD2 LEU 100 2HD2 LEU 100 -8.248 10.331 -2.362 821 3HD2 LEU 100 3HD2 LEU 100 -6.500 10.425 -2.578 822 HA PRO 101 HA PRO 101 -10.602 9.769 -3.084 823 1HB PRO 101 2HB PRO 101 -10.603 8.503 -5.766 824 2HB PRO 101 1HB PRO 101 -10.597 10.224 -5.350 825 1HG PRO 101 2HG PRO 101 -8.410 8.840 -6.295 826 2HG PRO 101 1HG PRO 101 -8.297 10.305 -5.304 827 1HD PRO 101 2HD PRO 101 -7.646 7.556 -4.585 828 2HD PRO 101 1HD PRO 101 -7.284 9.054 -3.711 829 H LYS 102 H LYS 102 -10.472 6.414 -4.166 830 HA LYS 102 HA LYS 102 -13.110 5.809 -4.650 831 1HB LYS 102 2HB LYS 102 -11.221 4.241 -4.916 832 2HB LYS 102 1HB LYS 102 -11.076 4.144 -3.159 833 1HG LYS 102 2HG LYS 102 -12.680 2.593 -3.055 834 2HG LYS 102 1HG LYS 102 -13.804 3.641 -3.924 835 1HD LYS 102 2HD LYS 102 -11.735 2.501 -5.657 836 2HD LYS 102 1HD LYS 102 -12.743 1.272 -4.893 837 1HE LYS 102 2HE LYS 102 -14.651 1.962 -5.977 838 2HE LYS 102 1HE LYS 102 -14.138 3.648 -6.028 839 1HZ LYS 102 1HZ LYS 102 -14.101 2.439 -8.173 840 2HZ LYS 102 2HZ LYS 102 -12.866 1.579 -7.629 841 3HZ LYS 102 3HZ LYS 102 -12.724 3.164 -7.795 842 H PHE 103 H PHE 103 -11.489 5.895 -1.468 843 HA PHE 103 HA PHE 103 -14.146 5.473 -0.267 844 1HB PHE 103 2HB PHE 103 -12.426 5.210 1.837 845 2HB PHE 103 1HB PHE 103 -12.946 3.870 0.820 846 HD1 PHE 103 HD1 PHE 103 -11.578 3.424 -1.324 847 HD2 PHE 103 HD2 PHE 103 -10.136 5.748 1.986 848 HE1 PHE 103 HE1 PHE 103 -9.266 3.104 -2.122 849 HE2 PHE 103 HE2 PHE 103 -7.805 5.421 1.199 850 HZ PHE 103 HZ PHE 103 -7.367 4.100 -0.859 851 H LYS 104 H LYS 104 -12.158 7.973 -1.063 852 HA LYS 104 HA LYS 104 -12.695 9.469 1.402 853 1HB LYS 104 2HB LYS 104 -10.784 9.705 -0.828 854 2HB LYS 104 1HB LYS 104 -11.472 11.237 -0.294 855 1HG LYS 104 2HG LYS 104 -9.449 10.780 0.991 856 2HG LYS 104 1HG LYS 104 -10.852 10.653 2.053 857 1HD LYS 104 2HD LYS 104 -10.852 8.177 1.673 858 2HD LYS 104 1HD LYS 104 -9.358 8.358 0.753 859 1HE LYS 104 2HE LYS 104 -9.527 9.508 3.518 860 2HE LYS 104 1HE LYS 104 -9.243 7.779 3.315 861 1HZ LYS 104 1HZ LYS 104 -7.237 9.200 3.380 862 2HZ LYS 104 2HZ LYS 104 -7.653 9.798 1.957 863 3HZ LYS 104 3HZ LYS 104 -7.325 8.238 2.103 864 H ARG 105 H ARG 105 -14.612 8.591 -0.767 865 HA ARG 105 HA ARG 105 -15.545 10.726 -2.278 866 1HB ARG 105 2HB ARG 105 -16.540 8.162 -1.413 867 2HB ARG 105 1HB ARG 105 -17.829 9.363 -1.322 868 1HG ARG 105 2HG ARG 105 -17.011 10.087 -3.684 869 2HG ARG 105 1HG ARG 105 -16.215 8.514 -3.719 870 1HD ARG 105 2HD ARG 105 -18.989 8.372 -2.781 871 2HD ARG 105 1HD ARG 105 -18.848 8.986 -4.428 872 HE ARG 105 HE ARG 105 -17.201 6.804 -4.400 873 1HH1 ARG 105 1HH2 ARG 105 -20.479 7.475 -3.532 874 2HH1 ARG 105 2HH2 ARG 105 -21.041 5.886 -3.924 875 1HH2 ARG 105 1HH1 ARG 105 -17.928 4.730 -4.915 876 2HH2 ARG 105 2HH1 ARG 105 -19.601 4.335 -4.706 877 H LYS 106 H LYS 106 -17.449 9.725 0.543 878 HA LYS 106 HA LYS 106 -17.544 12.581 1.326 879 1HB LYS 106 2HB LYS 106 -19.889 12.192 2.006 880 2HB LYS 106 1HB LYS 106 -19.663 11.886 0.283 881 1HG LYS 106 2HG LYS 106 -19.945 9.612 0.507 882 2HG LYS 106 1HG LYS 106 -19.280 9.584 2.140 883 1HD LYS 106 2HD LYS 106 -21.336 9.733 3.041 884 2HD LYS 106 1HD LYS 106 -21.697 11.168 2.081 885 1HE LYS 106 2HE LYS 106 -23.306 9.509 1.443 886 2HE LYS 106 1HE LYS 106 -22.140 9.605 0.124 887 1HZ LYS 106 1HZ LYS 106 -22.009 7.641 2.275 888 2HZ LYS 106 2HZ LYS 106 -21.079 7.688 0.974 889 3HZ LYS 106 3HZ LYS 106 -22.635 7.343 0.832 890 H ALA 107 H ALA 107 -17.931 12.912 3.644 891 HA ALA 107 HA ALA 107 -16.528 10.913 5.219 892 1HB ALA 107 1HB ALA 107 -16.119 12.623 6.662 893 2HB ALA 107 2HB ALA 107 -17.786 13.195 6.603 894 3HB ALA 107 3HB ALA 107 -16.654 13.646 5.329 895 H ASN 108 H ASN 108 -17.630 10.679 7.572 896 HA ASN 108 HA ASN 108 -20.515 10.474 7.468 897 1HB ASN 108 2HB ASN 108 -20.239 7.926 8.079 898 2HB ASN 108 1HB ASN 108 -20.270 8.425 6.387 899 1HD2 ASN 108 1HD2 ASN 108 -18.259 8.344 5.180 900 2HD2 ASN 108 2HD2 ASN 108 -16.875 7.576 5.794 Start of MODEL 13 1 1H MET 1 1H MET 1 -14.986 -9.497 -9.881 2 2H MET 1 2H MET 1 -15.912 -9.044 -11.105 3 3H MET 1 3H MET 1 -15.753 -10.597 -10.755 4 HA MET 1 HA MET 1 -16.759 -10.144 -8.549 5 1HB MET 1 2HB MET 1 -16.404 -7.540 -9.397 6 2HB MET 1 1HB MET 1 -18.122 -7.807 -9.695 7 1HG MET 1 2HG MET 1 -16.810 -8.552 -7.076 8 2HG MET 1 1HG MET 1 -17.499 -6.954 -7.361 9 1HE MET 1 1HE MET 1 -20.334 -6.586 -6.802 10 2HE MET 1 2HE MET 1 -18.888 -6.768 -5.811 11 3HE MET 1 3HE MET 1 -20.345 -7.672 -5.405 12 H ALA 2 H ALA 2 -17.379 -10.080 -11.938 13 HA ALA 2 HA ALA 2 -20.186 -10.364 -11.929 14 1HB ALA 2 1HB ALA 2 -18.189 -10.317 -13.852 15 2HB ALA 2 2HB ALA 2 -19.901 -10.605 -14.160 16 3HB ALA 2 3HB ALA 2 -18.802 -11.968 -13.951 17 H THR 3 H THR 3 -17.838 -13.012 -12.494 18 HA THR 3 HA THR 3 -19.468 -14.685 -10.696 19 HB THR 3 HB THR 3 -18.669 -16.373 -12.785 20 HG1 THR 3 HG1 THR 3 -18.734 -15.216 -14.515 21 1HG2 THR 3 1HG2 THR 3 -21.401 -15.430 -13.054 22 2HG2 THR 3 2HG2 THR 3 -20.978 -15.676 -11.359 23 3HG2 THR 3 3HG2 THR 3 -20.813 -17.001 -12.511 24 H SER 4 H SER 4 -16.591 -13.378 -11.022 25 HA SER 4 HA SER 4 -15.030 -15.844 -10.674 26 1HB SER 4 2HB SER 4 -13.939 -13.035 -10.680 27 2HB SER 4 1HB SER 4 -13.110 -14.535 -11.085 28 HG SER 4 HG SER 4 -15.068 -13.117 -12.550 29 H SER 5 H SER 5 -13.042 -14.307 -9.059 30 HA SER 5 HA SER 5 -14.524 -14.424 -6.501 31 1HB SER 5 2HB SER 5 -11.538 -14.704 -6.865 32 2HB SER 5 1HB SER 5 -12.505 -15.144 -5.460 33 HG SER 5 HG SER 5 -13.520 -16.725 -6.786 34 H GLU 6 H GLU 6 -12.108 -13.222 -5.200 35 HA GLU 6 HA GLU 6 -12.958 -10.535 -5.224 36 1HB GLU 6 2HB GLU 6 -10.413 -10.281 -4.336 37 2HB GLU 6 1HB GLU 6 -11.745 -10.813 -3.321 38 1HG GLU 6 2HG GLU 6 -11.148 -13.116 -3.602 39 2HG GLU 6 1HG GLU 6 -10.030 -12.729 -4.912 40 H GLU 7 H GLU 7 -11.723 -8.659 -5.950 41 HA GLU 7 HA GLU 7 -10.176 -9.257 -8.409 42 1HB GLU 7 2HB GLU 7 -12.015 -6.911 -7.842 43 2HB GLU 7 1HB GLU 7 -11.052 -7.121 -9.305 44 1HG GLU 7 2HG GLU 7 -12.500 -9.539 -8.873 45 2HG GLU 7 1HG GLU 7 -13.638 -8.200 -8.719 46 H VAL 8 H VAL 8 -8.011 -8.807 -7.900 47 HA VAL 8 HA VAL 8 -7.519 -6.685 -5.960 48 HB VAL 8 HB VAL 8 -5.340 -7.646 -5.748 49 1HG1 VAL 8 1HG1 VAL 8 -6.737 -10.207 -6.202 50 2HG1 VAL 8 2HG1 VAL 8 -7.627 -9.052 -5.210 51 3HG1 VAL 8 3HG1 VAL 8 -6.011 -9.567 -4.728 52 1HG2 VAL 8 1HG2 VAL 8 -5.809 -8.385 -8.493 53 2HG2 VAL 8 2HG2 VAL 8 -5.355 -9.820 -7.574 54 3HG2 VAL 8 3HG2 VAL 8 -4.294 -8.412 -7.591 55 H LEU 9 H LEU 9 -5.955 -5.079 -6.409 56 HA LEU 9 HA LEU 9 -6.050 -4.255 -9.229 57 1HB LEU 9 2HB LEU 9 -6.861 -2.663 -7.565 58 2HB LEU 9 1HB LEU 9 -5.297 -2.695 -6.749 59 HG LEU 9 HG LEU 9 -4.195 -1.760 -8.695 60 1HD1 LEU 9 1HD1 LEU 9 -5.547 -1.140 -10.706 61 2HD1 LEU 9 2HD1 LEU 9 -6.925 -1.985 -9.999 62 3HD1 LEU 9 3HD1 LEU 9 -5.472 -2.883 -10.442 63 1HD2 LEU 9 1HD2 LEU 9 -5.347 0.427 -8.832 64 2HD2 LEU 9 2HD2 LEU 9 -5.294 -0.160 -7.170 65 3HD2 LEU 9 3HD2 LEU 9 -6.785 -0.289 -8.104 66 H LEU 10 H LEU 10 -3.447 -4.494 -6.645 67 HA LEU 10 HA LEU 10 -1.643 -5.179 -8.819 68 1HB LEU 10 2HB LEU 10 -1.540 -2.828 -9.142 69 2HB LEU 10 1HB LEU 10 -1.448 -2.518 -7.410 70 HG LEU 10 HG LEU 10 0.675 -4.308 -8.254 71 1HD1 LEU 10 1HD1 LEU 10 1.106 -3.378 -10.282 72 2HD1 LEU 10 2HD1 LEU 10 1.733 -2.018 -9.351 73 3HD1 LEU 10 3HD1 LEU 10 0.079 -1.981 -9.959 74 1HD2 LEU 10 1HD2 LEU 10 0.531 -2.926 -6.157 75 2HD2 LEU 10 2HD2 LEU 10 0.760 -1.485 -7.148 76 3HD2 LEU 10 3HD2 LEU 10 2.036 -2.698 -7.047 77 H ILE 11 H ILE 11 0.181 -6.248 -8.079 78 HA ILE 11 HA ILE 11 0.395 -6.482 -5.142 79 HB ILE 11 HB ILE 11 -0.320 -8.586 -5.887 80 1HG1 ILE 11 2HG1 ILE 11 2.017 -8.540 -4.708 81 2HG1 ILE 11 1HG1 ILE 11 1.483 -10.035 -5.462 82 1HG2 ILE 11 1HG2 ILE 11 0.646 -9.641 -7.970 83 2HG2 ILE 11 2HG2 ILE 11 1.452 -8.104 -8.292 84 3HG2 ILE 11 3HG2 ILE 11 -0.311 -8.187 -8.259 85 1HD1 ILE 11 1HD1 ILE 11 2.847 -8.432 -7.426 86 2HD1 ILE 11 2HD1 ILE 11 3.260 -10.035 -6.828 87 3HD1 ILE 11 3HD1 ILE 11 3.858 -8.603 -5.996 88 H VAL 12 H VAL 12 2.358 -6.045 -4.286 89 HA VAL 12 HA VAL 12 4.614 -5.684 -6.167 90 HB VAL 12 HB VAL 12 5.502 -4.161 -4.304 91 1HG1 VAL 12 1HG1 VAL 12 4.664 -2.398 -5.477 92 2HG1 VAL 12 2HG1 VAL 12 2.993 -2.899 -5.215 93 3HG1 VAL 12 3HG1 VAL 12 3.945 -3.642 -6.500 94 1HG2 VAL 12 1HG2 VAL 12 3.730 -5.158 -2.703 95 2HG2 VAL 12 2HG2 VAL 12 2.607 -4.042 -3.475 96 3HG2 VAL 12 3HG2 VAL 12 4.020 -3.430 -2.626 97 H LYS 13 H LYS 13 5.498 -7.713 -5.990 98 HA LYS 13 HA LYS 13 5.680 -9.316 -3.715 99 1HB LYS 13 2HB LYS 13 7.009 -10.676 -5.028 100 2HB LYS 13 1HB LYS 13 6.231 -9.699 -6.263 101 1HG LYS 13 2HG LYS 13 8.941 -9.066 -5.071 102 2HG LYS 13 1HG LYS 13 8.703 -9.920 -6.595 103 1HD LYS 13 2HD LYS 13 7.089 -7.734 -6.947 104 2HD LYS 13 1HD LYS 13 8.400 -7.050 -5.987 105 1HE LYS 13 2HE LYS 13 9.430 -6.848 -8.014 106 2HE LYS 13 1HE LYS 13 9.820 -8.548 -7.757 107 1HZ LYS 13 1HZ LYS 13 8.646 -8.950 -9.551 108 2HZ LYS 13 2HZ LYS 13 8.158 -7.432 -9.687 109 3HZ LYS 13 3HZ LYS 13 7.313 -8.467 -8.807 110 H LYS 14 H LYS 14 7.345 -6.500 -4.509 111 HA LYS 14 HA LYS 14 9.279 -7.064 -2.340 112 1HB LYS 14 2HB LYS 14 9.798 -6.315 -4.992 113 2HB LYS 14 1HB LYS 14 10.062 -4.856 -4.038 114 1HG LYS 14 2HG LYS 14 12.131 -6.183 -4.173 115 2HG LYS 14 1HG LYS 14 11.538 -6.129 -2.513 116 1HD LYS 14 2HD LYS 14 10.578 -8.341 -2.713 117 2HD LYS 14 1HD LYS 14 10.935 -8.388 -4.440 118 1HE LYS 14 2HE LYS 14 12.920 -9.323 -3.933 119 2HE LYS 14 1HE LYS 14 13.385 -7.795 -3.185 120 1HZ LYS 14 1HZ LYS 14 13.495 -9.066 -1.382 121 2HZ LYS 14 2HZ LYS 14 12.535 -10.214 -1.948 122 3HZ LYS 14 3HZ LYS 14 11.906 -8.889 -1.309 123 H VAL 15 H VAL 15 8.870 -5.937 -0.562 124 HA VAL 15 HA VAL 15 8.383 -3.101 -0.840 125 HB VAL 15 HB VAL 15 6.169 -4.858 0.219 126 1HG1 VAL 15 1HG1 VAL 15 6.488 -1.904 0.783 127 2HG1 VAL 15 2HG1 VAL 15 6.850 -3.154 1.973 128 3HG1 VAL 15 3HG1 VAL 15 5.210 -2.974 1.351 129 1HG2 VAL 15 1HG2 VAL 15 6.672 -2.879 -1.893 130 2HG2 VAL 15 2HG2 VAL 15 5.126 -2.711 -1.066 131 3HG2 VAL 15 3HG2 VAL 15 5.540 -4.227 -1.866 132 H ARG 16 H ARG 16 8.878 -1.984 0.999 133 HA ARG 16 HA ARG 16 10.133 -3.596 3.141 134 1HB ARG 16 2HB ARG 16 11.947 -2.581 2.009 135 2HB ARG 16 1HB ARG 16 11.032 -1.150 1.629 136 1HG ARG 16 2HG ARG 16 11.630 -0.129 3.542 137 2HG ARG 16 1HG ARG 16 11.228 -1.544 4.505 138 1HD ARG 16 2HD ARG 16 13.836 -0.797 3.220 139 2HD ARG 16 1HD ARG 16 13.532 -1.388 4.852 140 HE ARG 16 HE ARG 16 12.844 -3.510 3.287 141 1HH1 ARG 16 1HH2 ARG 16 15.569 -1.400 3.584 142 2HH1 ARG 16 2HH2 ARG 16 16.709 -2.587 3.047 143 1HH2 ARG 16 1HH1 ARG 16 14.332 -5.058 2.565 144 2HH2 ARG 16 2HH1 ARG 16 16.012 -4.651 2.476 145 H GLN 17 H GLN 17 9.682 -2.903 5.167 146 HA GLN 17 HA GLN 17 8.268 -0.384 5.478 147 1HB GLN 17 2HB GLN 17 6.485 -1.600 6.838 148 2HB GLN 17 1HB GLN 17 6.413 -1.873 5.106 149 1HG GLN 17 2HG GLN 17 7.448 -4.001 5.278 150 2HG GLN 17 1HG GLN 17 7.853 -3.731 6.960 151 1HE2 GLN 17 1HE2 GLN 17 4.829 -2.398 6.715 152 2HE2 GLN 17 2HE2 GLN 17 3.890 -3.755 7.099 153 H LYS 18 H LYS 18 9.031 0.546 7.299 154 HA LYS 18 HA LYS 18 11.287 -0.053 8.522 155 1HB LYS 18 2HB LYS 18 9.017 1.523 9.265 156 2HB LYS 18 1HB LYS 18 9.666 0.745 10.710 157 1HG LYS 18 2HG LYS 18 11.841 1.661 10.345 158 2HG LYS 18 1HG LYS 18 11.428 2.171 8.708 159 1HD LYS 18 2HD LYS 18 10.142 3.967 9.445 160 2HD LYS 18 1HD LYS 18 9.827 3.228 11.016 161 1HE LYS 18 2HE LYS 18 12.671 3.617 10.642 162 2HE LYS 18 1HE LYS 18 11.809 5.138 10.410 163 1HZ LYS 18 1HZ LYS 18 11.679 3.394 12.739 164 2HZ LYS 18 2HZ LYS 18 10.678 4.622 12.514 165 3HZ LYS 18 3HZ LYS 18 12.247 4.890 12.685 166 H LYS 19 H LYS 19 8.372 -1.921 9.101 167 HA LYS 19 HA LYS 19 9.494 -3.170 11.445 168 1HB LYS 19 2HB LYS 19 7.533 -4.618 11.358 169 2HB LYS 19 1HB LYS 19 7.025 -2.956 11.095 170 1HG LYS 19 2HG LYS 19 7.065 -3.432 8.590 171 2HG LYS 19 1HG LYS 19 7.338 -5.132 8.978 172 1HD LYS 19 2HD LYS 19 4.923 -3.437 9.617 173 2HD LYS 19 1HD LYS 19 4.999 -4.934 8.683 174 1HE LYS 19 2HE LYS 19 4.207 -5.715 10.735 175 2HE LYS 19 1HE LYS 19 5.945 -5.942 10.925 176 1HZ LYS 19 1HZ LYS 19 4.315 -4.417 12.484 177 2HZ LYS 19 2HZ LYS 19 5.217 -3.369 11.678 178 3HZ LYS 19 3HZ LYS 19 5.912 -4.506 12.565 179 H GLN 20 H GLN 20 8.769 -4.284 8.160 180 HA GLN 20 HA GLN 20 11.063 -6.061 8.168 181 1HB GLN 20 2HB GLN 20 9.474 -7.484 9.165 182 2HB GLN 20 1HB GLN 20 8.176 -6.891 8.141 183 1HG GLN 20 2HG GLN 20 9.147 -7.977 6.193 184 2HG GLN 20 1HG GLN 20 10.572 -8.432 7.120 185 1HE2 GLN 20 1HE2 GLN 20 9.537 -10.627 6.104 186 2HE2 GLN 20 2HE2 GLN 20 8.543 -11.474 7.188 187 H ASP 21 H ASP 21 11.200 -7.163 5.938 188 HA ASP 21 HA ASP 21 10.172 -5.270 3.903 189 1HB ASP 21 2HB ASP 21 12.292 -7.367 3.386 190 2HB ASP 21 1HB ASP 21 12.031 -5.840 2.529 191 H GLY 22 H GLY 22 8.669 -6.153 2.591 192 1HA GLY 22 2HA GLY 22 8.348 -8.999 2.315 193 2HA GLY 22 1HA GLY 22 7.144 -8.264 3.343 194 H ALA 23 H ALA 23 6.453 -9.511 0.948 195 HA ALA 23 HA ALA 23 6.122 -7.512 -1.057 196 1HB ALA 23 1HB ALA 23 5.076 -10.324 -0.722 197 2HB ALA 23 2HB ALA 23 6.380 -9.783 -1.776 198 3HB ALA 23 3HB ALA 23 4.714 -9.327 -2.130 199 H LEU 24 H LEU 24 4.602 -6.329 -1.386 200 HA LEU 24 HA LEU 24 2.225 -6.267 0.393 201 1HB LEU 24 2HB LEU 24 3.984 -4.279 -0.717 202 2HB LEU 24 1HB LEU 24 2.330 -3.899 -1.163 203 HG LEU 24 HG LEU 24 3.501 -4.242 1.595 204 1HD1 LEU 24 1HD1 LEU 24 3.637 -1.995 1.240 205 2HD1 LEU 24 2HD1 LEU 24 1.893 -2.001 1.503 206 3HD1 LEU 24 3HD1 LEU 24 2.539 -2.057 -0.135 207 1HD2 LEU 24 1HD2 LEU 24 1.504 -5.311 2.023 208 2HD2 LEU 24 2HD2 LEU 24 0.696 -4.585 0.633 209 3HD2 LEU 24 3HD2 LEU 24 0.930 -3.646 2.108 210 H TYR 25 H TYR 25 0.180 -6.445 -0.359 211 HA TYR 25 HA TYR 25 -0.238 -6.743 -3.286 212 1HB TYR 25 2HB TYR 25 -1.262 -8.169 -0.861 213 2HB TYR 25 1HB TYR 25 -2.371 -7.960 -2.211 214 HD1 TYR 25 HD1 TYR 25 0.649 -9.629 -1.006 215 HD2 TYR 25 HD2 TYR 25 -1.896 -8.974 -4.398 216 HE1 TYR 25 HE1 TYR 25 1.672 -11.582 -2.139 217 HE2 TYR 25 HE2 TYR 25 -0.879 -10.934 -5.538 218 HH TYR 25 HH TYR 25 0.357 -12.877 -5.101 219 H LEU 26 H LEU 26 -1.851 -5.263 -4.164 220 HA LEU 26 HA LEU 26 -3.330 -3.772 -2.098 221 1HB LEU 26 2HB LEU 26 -1.769 -2.536 -3.732 222 2HB LEU 26 1HB LEU 26 -2.926 -2.975 -4.989 223 HG LEU 26 HG LEU 26 -3.656 -1.488 -2.451 224 1HD1 LEU 26 1HD1 LEU 26 -3.411 0.516 -3.565 225 2HD1 LEU 26 2HD1 LEU 26 -3.715 -0.206 -5.146 226 3HD1 LEU 26 3HD1 LEU 26 -2.140 -0.401 -4.375 227 1HD2 LEU 26 1HD2 LEU 26 -5.589 -0.982 -4.316 228 2HD2 LEU 26 2HD2 LEU 26 -5.699 -2.264 -3.111 229 3HD2 LEU 26 3HD2 LEU 26 -5.139 -2.632 -4.742 230 H MET 27 H MET 27 -5.531 -4.040 -2.111 231 HA MET 27 HA MET 27 -6.686 -5.517 -4.400 232 1HB MET 27 2HB MET 27 -6.787 -6.965 -2.499 233 2HB MET 27 1HB MET 27 -7.283 -5.649 -1.437 234 1HG MET 27 2HG MET 27 -9.468 -5.832 -2.037 235 2HG MET 27 1HG MET 27 -9.071 -6.052 -3.737 236 1HE MET 27 1HE MET 27 -10.581 -8.434 -4.463 237 2HE MET 27 2HE MET 27 -11.183 -7.192 -3.370 238 3HE MET 27 3HE MET 27 -11.374 -8.893 -2.950 239 H ALA 28 H ALA 28 -8.806 -4.839 -5.015 240 HA ALA 28 HA ALA 28 -9.311 -2.237 -5.375 241 1HB ALA 28 1HB ALA 28 -10.898 -4.659 -5.350 242 2HB ALA 28 2HB ALA 28 -11.073 -3.222 -6.363 243 3HB ALA 28 3HB ALA 28 -11.854 -3.287 -4.783 244 H GLU 29 H GLU 29 -10.729 -3.950 -2.465 245 HA GLU 29 HA GLU 29 -11.173 -1.264 -1.388 246 1HB GLU 29 2HB GLU 29 -13.106 -2.689 -1.464 247 2HB GLU 29 1HB GLU 29 -12.212 -4.016 -0.722 248 1HG GLU 29 2HG GLU 29 -12.564 -3.222 1.370 249 2HG GLU 29 1HG GLU 29 -12.181 -1.566 0.905 250 H ARG 30 H ARG 30 -8.605 -3.391 -1.150 251 HA ARG 30 HA ARG 30 -7.999 -2.250 1.443 252 1HB ARG 30 2HB ARG 30 -8.111 -4.100 2.787 253 2HB ARG 30 1HB ARG 30 -9.481 -4.397 1.729 254 1HG ARG 30 2HG ARG 30 -7.263 -5.529 0.416 255 2HG ARG 30 1HG ARG 30 -7.080 -5.967 2.116 256 1HD ARG 30 2HD ARG 30 -8.457 -7.642 0.957 257 2HD ARG 30 1HD ARG 30 -9.427 -6.769 2.140 258 HE ARG 30 HE ARG 30 -9.656 -5.366 -0.252 259 1HH1 ARG 30 1HH2 ARG 30 -10.240 -8.557 0.944 260 2HH1 ARG 30 2HH2 ARG 30 -11.557 -8.859 -0.138 261 1HH2 ARG 30 1HH1 ARG 30 -11.376 -5.752 -1.662 262 2HH2 ARG 30 2HH1 ARG 30 -12.199 -7.275 -1.611 263 H ILE 31 H ILE 31 -5.931 -2.948 2.308 264 HA ILE 31 HA ILE 31 -4.026 -3.512 0.107 265 HB ILE 31 HB ILE 31 -3.965 -1.747 2.527 266 1HG1 ILE 31 2HG1 ILE 31 -4.251 -1.013 0.100 267 2HG1 ILE 31 1HG1 ILE 31 -2.965 -0.206 0.999 268 1HG2 ILE 31 1HG2 ILE 31 -1.450 -2.953 1.323 269 2HG2 ILE 31 2HG2 ILE 31 -2.106 -3.383 2.903 270 3HG2 ILE 31 3HG2 ILE 31 -1.523 -1.745 2.605 271 1HD1 ILE 31 1HD1 ILE 31 -2.184 -0.895 -1.241 272 2HD1 ILE 31 2HD1 ILE 31 -2.588 -2.570 -0.864 273 3HD1 ILE 31 3HD1 ILE 31 -1.307 -1.750 0.028 274 H ALA 32 H ALA 32 -2.655 -5.294 0.362 275 HA ALA 32 HA ALA 32 -2.950 -6.773 2.903 276 1HB ALA 32 1HB ALA 32 -2.591 -8.824 1.364 277 2HB ALA 32 2HB ALA 32 -3.056 -7.731 0.061 278 3HB ALA 32 3HB ALA 32 -4.181 -8.059 1.379 279 H TRP 33 H TRP 33 -1.211 -7.958 3.603 280 HA TRP 33 HA TRP 33 1.340 -7.319 2.222 281 1HB TRP 33 2HB TRP 33 1.040 -6.044 4.361 282 2HB TRP 33 1HB TRP 33 1.054 -7.584 5.202 283 HD1 TRP 33 HD1 TRP 33 3.201 -6.487 2.230 284 HE1 TRP 33 HE1 TRP 33 5.662 -6.648 2.953 285 HE3 TRP 33 HE3 TRP 33 2.722 -8.024 7.087 286 HZ2 TRP 33 HZ2 TRP 33 7.229 -7.334 5.115 287 HZ3 TRP 33 HZ3 TRP 33 4.753 -8.477 8.430 288 HH2 TRP 33 HH2 TRP 33 7.009 -8.154 7.437 289 H ALA 34 H ALA 34 2.833 -8.919 2.115 290 HA ALA 34 HA ALA 34 2.403 -11.406 3.526 291 1HB ALA 34 1HB ALA 34 1.950 -11.094 0.601 292 2HB ALA 34 2HB ALA 34 1.090 -12.089 1.780 293 3HB ALA 34 3HB ALA 34 2.678 -12.588 1.197 294 HA PRO 35 HA PRO 35 6.759 -10.877 3.251 295 1HB PRO 35 2HB PRO 35 7.218 -13.334 4.671 296 2HB PRO 35 1HB PRO 35 7.356 -11.681 5.285 297 1HG PRO 35 2HG PRO 35 5.311 -13.615 5.887 298 2HG PRO 35 1HG PRO 35 5.453 -11.960 6.494 299 1HD PRO 35 2HD PRO 35 3.565 -12.977 4.575 300 2HD PRO 35 1HD PRO 35 3.716 -11.318 5.182 301 H GLU 36 H GLU 36 8.632 -12.759 2.876 302 HA GLU 36 HA GLU 36 7.632 -14.300 0.554 303 1HB GLU 36 2HB GLU 36 9.393 -12.329 0.346 304 2HB GLU 36 1HB GLU 36 10.519 -13.578 0.879 305 1HG GLU 36 2HG GLU 36 10.605 -13.982 -1.386 306 2HG GLU 36 1HG GLU 36 9.214 -14.992 -0.989 307 H GLY 37 H GLY 37 7.571 -15.296 3.264 308 1HA GLY 37 2HA GLY 37 9.114 -17.708 2.837 309 2HA GLY 37 1HA GLY 37 9.651 -16.749 4.218 310 H LYS 38 H LYS 38 7.265 -15.795 5.227 311 HA LYS 38 HA LYS 38 6.267 -18.134 6.552 312 1HB LYS 38 2HB LYS 38 6.403 -15.495 7.206 313 2HB LYS 38 1HB LYS 38 4.711 -15.623 6.723 314 1HG LYS 38 2HG LYS 38 4.172 -16.996 8.475 315 2HG LYS 38 1HG LYS 38 5.744 -17.797 8.464 316 1HD LYS 38 2HD LYS 38 5.765 -14.928 9.216 317 2HD LYS 38 1HD LYS 38 5.002 -16.019 10.373 318 1HE LYS 38 2HE LYS 38 7.173 -16.236 11.097 319 2HE LYS 38 1HE LYS 38 7.200 -17.467 9.834 320 1HZ LYS 38 1HZ LYS 38 8.475 -16.182 8.564 321 2HZ LYS 38 2HZ LYS 38 8.878 -15.452 9.929 322 3HZ LYS 38 3HZ LYS 38 7.764 -14.808 8.978 323 H ASP 39 H ASP 39 3.464 -17.061 6.610 324 HA ASP 39 HA ASP 39 2.537 -18.515 4.274 325 1HB ASP 39 2HB ASP 39 1.560 -18.066 6.866 326 2HB ASP 39 1HB ASP 39 0.471 -17.170 5.808 327 H ARG 40 H ARG 40 2.358 -17.471 2.405 328 HA ARG 40 HA ARG 40 2.735 -15.088 1.488 329 1HB ARG 40 2HB ARG 40 0.428 -15.289 0.179 330 2HB ARG 40 1HB ARG 40 1.784 -16.368 -0.150 331 1HG ARG 40 2HG ARG 40 0.862 -18.067 1.330 332 2HG ARG 40 1HG ARG 40 -0.444 -16.984 1.813 333 1HD ARG 40 2HD ARG 40 -0.589 -16.978 -0.957 334 2HD ARG 40 1HD ARG 40 -0.199 -18.654 -0.580 335 HE ARG 40 HE ARG 40 -2.713 -17.463 -0.285 336 1HH1 ARG 40 1HH2 ARG 40 -0.473 -19.347 1.571 337 2HH1 ARG 40 2HH2 ARG 40 -1.661 -19.825 2.732 338 1HH2 ARG 40 1HH1 ARG 40 -4.252 -18.110 1.210 339 2HH2 ARG 40 2HH1 ARG 40 -3.792 -19.139 2.525 340 H PHE 41 H PHE 41 -0.664 -15.008 1.613 341 HA PHE 41 HA PHE 41 -0.854 -12.364 2.283 342 1HB PHE 41 2HB PHE 41 -2.765 -14.652 2.716 343 2HB PHE 41 1HB PHE 41 -3.196 -12.982 3.116 344 HD1 PHE 41 HD1 PHE 41 -3.666 -15.256 0.631 345 HD2 PHE 41 HD2 PHE 41 -2.022 -11.324 1.179 346 HE1 PHE 41 HE1 PHE 41 -4.011 -14.779 -1.778 347 HE2 PHE 41 HE2 PHE 41 -2.370 -10.843 -1.235 348 HZ PHE 41 HZ PHE 41 -3.360 -12.576 -2.708 349 H THR 42 H THR 42 -0.275 -11.278 3.996 350 HA THR 42 HA THR 42 -0.346 -12.614 6.626 351 HB THR 42 HB THR 42 1.918 -11.841 5.245 352 HG1 THR 42 HG1 THR 42 2.665 -12.763 6.952 353 1HG2 THR 42 1HG2 THR 42 1.740 -9.740 7.361 354 2HG2 THR 42 2HG2 THR 42 1.000 -9.414 5.792 355 3HG2 THR 42 3HG2 THR 42 2.716 -9.795 5.893 356 H ILE 43 H ILE 43 -1.377 -10.000 4.708 357 HA ILE 43 HA ILE 43 -2.651 -8.823 7.064 358 HB ILE 43 HB ILE 43 -0.233 -7.778 6.127 359 1HG1 ILE 43 2HG1 ILE 43 -2.364 -6.895 8.039 360 2HG1 ILE 43 1HG1 ILE 43 -0.767 -7.560 8.387 361 1HG2 ILE 43 1HG2 ILE 43 -0.610 -5.711 5.130 362 2HG2 ILE 43 2HG2 ILE 43 -2.243 -5.586 5.773 363 3HG2 ILE 43 3HG2 ILE 43 -1.919 -6.623 4.398 364 1HD1 ILE 43 1HD1 ILE 43 -0.105 -5.409 8.657 365 2HD1 ILE 43 2HD1 ILE 43 -1.561 -4.793 7.876 366 3HD1 ILE 43 3HD1 ILE 43 -0.186 -5.303 6.894 367 H SER 44 H SER 44 -4.296 -7.303 6.580 368 HA SER 44 HA SER 44 -4.962 -6.685 3.868 369 1HB SER 44 2HB SER 44 -6.936 -7.997 3.620 370 2HB SER 44 1HB SER 44 -5.703 -9.120 4.187 371 HG SER 44 HG SER 44 -6.857 -9.419 5.908 372 H HIS 45 H HIS 45 -5.308 -4.542 4.437 373 HA HIS 45 HA HIS 45 -7.235 -4.062 6.633 374 1HB HIS 45 2HB HIS 45 -6.040 -1.636 5.734 375 2HB HIS 45 1HB HIS 45 -5.912 -2.384 7.321 376 HD1 HIS 45 HD1 HIS 45 -3.551 -2.789 7.965 377 HD2 HIS 45 HD2 HIS 45 -4.047 -3.053 3.844 378 HE1 HIS 45 HE1 HIS 45 -1.249 -3.187 6.987 379 H MET 46 H MET 46 -9.238 -3.654 5.866 380 HA MET 46 HA MET 46 -9.786 -3.060 3.159 381 1HB MET 46 2HB MET 46 -11.268 -3.534 5.593 382 2HB MET 46 1HB MET 46 -11.962 -2.182 4.701 383 1HG MET 46 2HG MET 46 -12.879 -3.615 3.231 384 2HG MET 46 1HG MET 46 -11.274 -4.220 2.818 385 1HE MET 46 1HE MET 46 -13.791 -5.412 2.562 386 2HE MET 46 2HE MET 46 -14.574 -6.262 3.892 387 3HE MET 46 3HE MET 46 -13.379 -7.098 2.904 388 H TYR 47 H TYR 47 -9.351 -1.206 2.204 389 HA TYR 47 HA TYR 47 -8.459 1.158 3.192 390 1HB TYR 47 2HB TYR 47 -10.217 0.524 0.826 391 2HB TYR 47 1HB TYR 47 -9.860 2.198 1.214 392 HD1 TYR 47 HD1 TYR 47 -7.023 0.744 2.463 393 HD2 TYR 47 HD2 TYR 47 -8.947 1.279 -1.351 394 HE1 TYR 47 HE1 TYR 47 -4.851 0.557 1.327 395 HE2 TYR 47 HE2 TYR 47 -6.776 1.103 -2.454 396 HH TYR 47 HH TYR 47 -3.762 0.836 -0.621 397 H ALA 48 H ALA 48 -11.979 0.341 2.958 398 HA ALA 48 HA ALA 48 -12.792 2.816 4.177 399 1HB ALA 48 1HB ALA 48 -14.155 0.132 3.830 400 2HB ALA 48 2HB ALA 48 -14.440 1.610 2.910 401 3HB ALA 48 3HB ALA 48 -14.942 1.512 4.598 402 H ASP 49 H ASP 49 -12.020 -0.366 5.258 403 HA ASP 49 HA ASP 49 -12.682 -0.051 8.031 404 1HB ASP 49 2HB ASP 49 -10.805 -1.973 6.626 405 2HB ASP 49 1HB ASP 49 -11.254 -2.087 8.328 406 H ILE 50 H ILE 50 -10.381 1.411 6.188 407 HA ILE 50 HA ILE 50 -8.760 1.976 8.586 408 HB ILE 50 HB ILE 50 -6.713 1.869 7.232 409 1HG1 ILE 50 2HG1 ILE 50 -8.675 1.126 5.051 410 2HG1 ILE 50 1HG1 ILE 50 -7.542 2.478 5.060 411 1HG2 ILE 50 1HG2 ILE 50 -6.546 -0.356 7.614 412 2HG2 ILE 50 2HG2 ILE 50 -7.830 -0.723 6.464 413 3HG2 ILE 50 3HG2 ILE 50 -8.234 -0.276 8.120 414 1HD1 ILE 50 1HD1 ILE 50 -7.095 -0.276 4.253 415 2HD1 ILE 50 2HD1 ILE 50 -5.958 0.208 5.511 416 3HD1 ILE 50 3HD1 ILE 50 -6.064 1.136 4.016 417 H LYS 51 H LYS 51 -8.411 4.338 8.782 418 HA LYS 51 HA LYS 51 -8.588 5.750 6.231 419 1HB LYS 51 2HB LYS 51 -10.911 5.532 7.495 420 2HB LYS 51 1HB LYS 51 -10.269 6.935 8.357 421 1HG LYS 51 2HG LYS 51 -10.207 6.716 5.346 422 2HG LYS 51 1HG LYS 51 -11.538 7.492 6.213 423 1HD LYS 51 2HD LYS 51 -8.602 8.280 6.324 424 2HD LYS 51 1HD LYS 51 -9.892 9.175 5.522 425 1HE LYS 51 2HE LYS 51 -11.057 9.343 7.760 426 2HE LYS 51 1HE LYS 51 -9.600 8.675 8.493 427 1HZ LYS 51 1HZ LYS 51 -8.414 10.522 7.431 428 2HZ LYS 51 2HZ LYS 51 -9.455 11.004 8.545 429 3HZ LYS 51 3HZ LYS 51 -9.814 11.164 6.994 430 H CYS 52 H CYS 52 -6.752 6.673 6.288 431 HA CYS 52 HA CYS 52 -6.305 9.077 7.498 432 1HB CYS 52 2HB CYS 52 -6.068 7.482 9.557 433 2HB CYS 52 1HB CYS 52 -4.497 7.118 8.851 434 HG CYS 52 HG CYS 52 -4.649 9.331 10.547 435 H GLN 53 H GLN 53 -4.698 9.967 6.229 436 HA GLN 53 HA GLN 53 -2.787 8.036 5.061 437 1HB GLN 53 2HB GLN 53 -4.734 9.784 3.589 438 2HB GLN 53 1HB GLN 53 -3.222 9.286 2.828 439 1HG GLN 53 2HG GLN 53 -4.096 6.916 3.885 440 2HG GLN 53 1HG GLN 53 -5.622 7.690 3.459 441 1HE2 GLN 53 1HE2 GLN 53 -5.471 5.712 1.829 442 2HE2 GLN 53 2HE2 GLN 53 -4.750 6.056 0.331 443 H LYS 54 H LYS 54 -0.845 8.724 5.245 444 HA LYS 54 HA LYS 54 -0.228 11.598 5.005 445 1HB LYS 54 2HB LYS 54 0.141 11.376 7.284 446 2HB LYS 54 1HB LYS 54 0.397 9.635 7.173 447 1HG LYS 54 2HG LYS 54 2.639 9.856 6.825 448 2HG LYS 54 1HG LYS 54 2.448 11.304 5.834 449 1HD LYS 54 2HD LYS 54 1.757 11.583 8.712 450 2HD LYS 54 1HD LYS 54 3.468 11.371 8.337 451 1HE LYS 54 2HE LYS 54 2.760 13.195 6.440 452 2HE LYS 54 1HE LYS 54 1.679 13.654 7.755 453 1HZ LYS 54 1HZ LYS 54 4.567 13.638 7.719 454 2HZ LYS 54 2HZ LYS 54 3.812 13.449 9.117 455 3HZ LYS 54 3HZ LYS 54 3.574 14.775 8.253 456 H ILE 55 H ILE 55 0.954 11.686 3.115 457 HA ILE 55 HA ILE 55 2.958 9.550 2.714 458 HB ILE 55 HB ILE 55 2.460 9.608 0.302 459 1HG1 ILE 55 2HG1 ILE 55 -0.028 10.802 0.102 460 2HG1 ILE 55 1HG1 ILE 55 0.844 11.903 1.170 461 1HG2 ILE 55 1HG2 ILE 55 -0.262 9.197 1.346 462 2HG2 ILE 55 2HG2 ILE 55 0.991 8.376 2.277 463 3HG2 ILE 55 3HG2 ILE 55 0.822 8.056 0.550 464 1HD1 ILE 55 1HD1 ILE 55 1.509 12.749 -0.877 465 2HD1 ILE 55 2HD1 ILE 55 1.407 11.180 -1.676 466 3HD1 ILE 55 3HD1 ILE 55 2.777 11.548 -0.627 467 H SER 56 H SER 56 4.810 10.704 3.119 468 HA SER 56 HA SER 56 5.093 13.236 1.627 469 1HB SER 56 2HB SER 56 5.499 12.636 4.406 470 2HB SER 56 1HB SER 56 7.035 13.102 3.680 471 HG SER 56 HG SER 56 5.901 14.936 2.803 472 HA PRO 57 HA PRO 57 8.608 10.192 0.848 473 1HB PRO 57 2HB PRO 57 7.543 9.104 -1.614 474 2HB PRO 57 1HB PRO 57 8.089 8.267 -0.159 475 1HG PRO 57 2HG PRO 57 5.412 8.590 -1.043 476 2HG PRO 57 1HG PRO 57 5.945 7.839 0.453 477 1HD PRO 57 2HD PRO 57 4.654 10.405 0.119 478 2HD PRO 57 1HD PRO 57 5.138 9.600 1.623 479 H GLU 58 H GLU 58 6.664 12.477 -0.705 480 HA GLU 58 HA GLU 58 8.119 12.920 -3.093 481 1HB GLU 58 2HB GLU 58 5.921 13.944 -2.688 482 2HB GLU 58 1HB GLU 58 6.588 14.870 -1.342 483 1HG GLU 58 2HG GLU 58 6.542 16.324 -3.269 484 2HG GLU 58 1HG GLU 58 8.226 15.893 -2.969 485 H GLY 59 H GLY 59 8.938 13.328 0.196 486 1HA GLY 59 2HA GLY 59 11.270 14.957 -0.611 487 2HA GLY 59 1HA GLY 59 10.426 15.228 0.917 488 H LYS 60 H LYS 60 10.768 12.008 -0.345 489 HA LYS 60 HA LYS 60 12.591 11.400 1.898 490 1HB LYS 60 2HB LYS 60 10.575 9.730 0.343 491 2HB LYS 60 1HB LYS 60 11.778 8.991 1.403 492 1HG LYS 60 2HG LYS 60 9.743 11.081 2.243 493 2HG LYS 60 1HG LYS 60 9.656 9.357 2.604 494 1HD LYS 60 2HD LYS 60 11.741 11.331 3.564 495 2HD LYS 60 1HD LYS 60 10.584 10.432 4.546 496 1HE LYS 60 2HE LYS 60 11.789 8.365 3.308 497 2HE LYS 60 1HE LYS 60 13.126 9.516 3.300 498 1HZ LYS 60 1HZ LYS 60 13.417 9.012 5.400 499 2HZ LYS 60 2HZ LYS 60 12.133 8.058 5.439 500 3HZ LYS 60 3HZ LYS 60 11.982 9.615 5.775 501 H ALA 61 H ALA 61 12.468 8.946 -0.350 502 HA ALA 61 HA ALA 61 14.479 9.926 -2.168 503 1HB ALA 61 1HB ALA 61 16.277 8.617 -1.454 504 2HB ALA 61 2HB ALA 61 15.242 7.507 -0.557 505 3HB ALA 61 3HB ALA 61 15.581 9.113 0.089 506 H LYS 62 H LYS 62 11.945 7.937 -1.264 507 HA LYS 62 HA LYS 62 11.904 6.620 -3.795 508 1HB LYS 62 2HB LYS 62 11.425 4.415 -2.356 509 2HB LYS 62 1HB LYS 62 12.991 4.852 -3.001 510 1HG LYS 62 2HG LYS 62 13.204 4.296 -0.604 511 2HG LYS 62 1HG LYS 62 13.634 5.967 -0.921 512 1HD LYS 62 2HD LYS 62 11.460 6.730 -0.123 513 2HD LYS 62 1HD LYS 62 10.922 5.077 0.082 514 1HE LYS 62 2HE LYS 62 11.593 5.828 2.250 515 2HE LYS 62 1HE LYS 62 12.871 4.755 1.679 516 1HZ LYS 62 1HZ LYS 62 14.267 6.464 1.477 517 2HZ LYS 62 2HZ LYS 62 13.328 7.170 2.563 518 3HZ LYS 62 3HZ LYS 62 13.154 7.517 1.010 519 H ILE 63 H ILE 63 10.099 5.194 -1.398 520 HA ILE 63 HA ILE 63 7.933 7.045 -1.474 521 HB ILE 63 HB ILE 63 6.994 6.530 -3.382 522 1HG1 ILE 63 2HG1 ILE 63 6.738 3.615 -2.625 523 2HG1 ILE 63 1HG1 ILE 63 5.741 4.863 -1.869 524 1HG2 ILE 63 1HG2 ILE 63 9.074 4.341 -3.496 525 2HG2 ILE 63 2HG2 ILE 63 9.021 5.853 -4.402 526 3HG2 ILE 63 3HG2 ILE 63 7.890 4.560 -4.783 527 1HD1 ILE 63 1HD1 ILE 63 5.983 4.659 -4.862 528 2HD1 ILE 63 2HD1 ILE 63 4.734 5.462 -3.919 529 3HD1 ILE 63 3HD1 ILE 63 4.796 3.700 -3.979 530 H GLN 64 H GLN 64 7.981 6.788 0.773 531 HA GLN 64 HA GLN 64 6.918 4.194 1.752 532 1HB GLN 64 2HB GLN 64 7.696 5.003 3.996 533 2HB GLN 64 1HB GLN 64 9.016 4.796 2.844 534 1HG GLN 64 2HG GLN 64 9.106 7.163 2.403 535 2HG GLN 64 1HG GLN 64 7.625 7.443 3.318 536 1HE2 GLN 64 1HE2 GLN 64 8.140 8.402 5.286 537 2HE2 GLN 64 2HE2 GLN 64 9.468 7.985 6.257 538 H LEU 65 H LEU 65 4.804 4.258 2.534 539 HA LEU 65 HA LEU 65 3.701 6.968 2.898 540 1HB LEU 65 2HB LEU 65 1.542 6.090 2.052 541 2HB LEU 65 1HB LEU 65 2.841 6.016 0.870 542 HG LEU 65 HG LEU 65 1.349 3.969 1.004 543 1HD1 LEU 65 1HD1 LEU 65 3.962 2.843 1.634 544 2HD1 LEU 65 2HD1 LEU 65 4.048 4.197 0.504 545 3HD1 LEU 65 3HD1 LEU 65 3.039 2.799 0.133 546 1HD2 LEU 65 1HD2 LEU 65 1.504 2.441 2.790 547 2HD2 LEU 65 2HD2 LEU 65 1.341 4.011 3.578 548 3HD2 LEU 65 3HD2 LEU 65 2.922 3.243 3.459 549 H GLN 66 H GLN 66 1.573 6.922 4.204 550 HA GLN 66 HA GLN 66 1.711 4.920 6.363 551 1HB GLN 66 2HB GLN 66 2.638 7.565 6.602 552 2HB GLN 66 1HB GLN 66 1.064 7.542 7.400 553 1HG GLN 66 2HG GLN 66 1.728 5.729 8.835 554 2HG GLN 66 1HG GLN 66 3.217 5.478 7.923 555 1HE2 GLN 66 1HE2 GLN 66 4.846 6.102 9.383 556 2HE2 GLN 66 2HE2 GLN 66 4.889 7.599 10.183 557 H LEU 67 H LEU 67 -0.267 4.214 6.924 558 HA LEU 67 HA LEU 67 -2.643 5.851 6.255 559 1HB LEU 67 2HB LEU 67 -2.117 3.924 4.597 560 2HB LEU 67 1HB LEU 67 -2.552 2.845 5.920 561 HG LEU 67 HG LEU 67 -4.445 5.064 5.307 562 1HD1 LEU 67 1HD1 LEU 67 -3.662 2.966 3.384 563 2HD1 LEU 67 2HD1 LEU 67 -4.505 4.490 3.106 564 3HD1 LEU 67 3HD1 LEU 67 -5.400 3.079 3.679 565 1HD2 LEU 67 1HD2 LEU 67 -5.616 3.800 6.758 566 2HD2 LEU 67 2HD2 LEU 67 -4.386 2.536 6.707 567 3HD2 LEU 67 3HD2 LEU 67 -5.690 2.547 5.520 568 H VAL 68 H VAL 68 -4.326 5.609 7.832 569 HA VAL 68 HA VAL 68 -3.520 3.861 10.061 570 HB VAL 68 HB VAL 68 -5.053 6.385 10.570 571 1HG1 VAL 68 1HG1 VAL 68 -3.865 6.027 12.791 572 2HG1 VAL 68 2HG1 VAL 68 -3.362 4.461 12.160 573 3HG1 VAL 68 3HG1 VAL 68 -5.079 4.817 12.382 574 1HG2 VAL 68 1HG2 VAL 68 -2.140 6.181 11.092 575 2HG2 VAL 68 2HG2 VAL 68 -3.108 7.615 10.747 576 3HG2 VAL 68 3HG2 VAL 68 -2.634 6.533 9.437 577 H LEU 69 H LEU 69 -5.178 3.137 11.376 578 HA LEU 69 HA LEU 69 -7.452 2.294 9.785 579 1HB LEU 69 2HB LEU 69 -6.464 1.513 12.538 580 2HB LEU 69 1HB LEU 69 -7.665 0.635 11.615 581 HG LEU 69 HG LEU 69 -4.868 0.245 11.590 582 1HD1 LEU 69 1HD1 LEU 69 -5.527 -1.187 9.489 583 2HD1 LEU 69 2HD1 LEU 69 -7.164 -0.786 10.022 584 3HD1 LEU 69 3HD1 LEU 69 -6.067 -1.640 11.109 585 1HD2 LEU 69 1HD2 LEU 69 -5.774 1.658 9.101 586 2HD2 LEU 69 2HD2 LEU 69 -4.489 0.455 9.045 587 3HD2 LEU 69 3HD2 LEU 69 -4.298 1.898 10.038 588 H HIS 70 H HIS 70 -9.649 2.689 10.445 589 HA HIS 70 HA HIS 70 -10.323 5.092 11.642 590 1HB HIS 70 2HB HIS 70 -11.755 2.416 11.664 591 2HB HIS 70 1HB HIS 70 -12.473 3.873 12.351 592 HD1 HIS 70 HD1 HIS 70 -13.488 5.543 10.746 593 HD2 HIS 70 HD2 HIS 70 -11.254 2.618 8.786 594 HE1 HIS 70 HE1 HIS 70 -13.912 5.854 8.269 595 H ALA 71 H ALA 71 -9.407 2.057 12.940 596 HA ALA 71 HA ALA 71 -9.870 2.699 15.720 597 1HB ALA 71 1HB ALA 71 -9.094 0.558 16.175 598 2HB ALA 71 2HB ALA 71 -7.914 0.598 14.865 599 3HB ALA 71 3HB ALA 71 -9.622 0.343 14.506 600 H GLY 72 H GLY 72 -7.223 1.720 16.580 601 1HA GLY 72 2HA GLY 72 -5.701 4.184 16.025 602 2HA GLY 72 1HA GLY 72 -5.628 3.276 17.538 603 H ASP 73 H ASP 73 -5.413 2.380 14.160 604 HA ASP 73 HA ASP 73 -2.786 1.153 14.776 605 1HB ASP 73 2HB ASP 73 -5.184 -0.020 13.415 606 2HB ASP 73 1HB ASP 73 -3.574 -0.544 12.919 607 H THR 74 H THR 74 -1.223 1.602 13.363 608 HA THR 74 HA THR 74 -1.993 3.247 11.041 609 HB THR 74 HB THR 74 0.844 3.094 11.872 610 HG1 THR 74 HG1 THR 74 -0.907 4.688 13.380 611 1HG2 THR 74 1HG2 THR 74 -0.923 4.814 10.418 612 2HG2 THR 74 2HG2 THR 74 0.828 4.938 10.592 613 3HG2 THR 74 3HG2 THR 74 -0.232 5.727 11.760 614 H THR 75 H THR 75 -0.707 2.927 9.069 615 HA THR 75 HA THR 75 0.430 0.227 8.860 616 HB THR 75 HB THR 75 -1.197 1.409 6.627 617 HG1 THR 75 HG1 THR 75 -2.106 0.342 9.033 618 1HG2 THR 75 1HG2 THR 75 -1.456 -0.915 6.007 619 2HG2 THR 75 2HG2 THR 75 -0.760 -1.445 7.538 620 3HG2 THR 75 3HG2 THR 75 0.250 -0.626 6.347 621 H ASN 76 H ASN 76 2.569 0.809 8.464 622 HA ASN 76 HA ASN 76 2.990 3.073 6.612 623 1HB ASN 76 2HB ASN 76 4.933 1.795 8.560 624 2HB ASN 76 1HB ASN 76 5.225 3.236 7.587 625 1HD2 ASN 76 1HD2 ASN 76 5.554 3.831 10.153 626 2HD2 ASN 76 2HD2 ASN 76 4.195 4.576 10.846 627 H PHE 77 H PHE 77 4.106 2.665 4.708 628 HA PHE 77 HA PHE 77 5.369 0.043 4.458 629 1HB PHE 77 2HB PHE 77 2.772 0.653 3.392 630 2HB PHE 77 1HB PHE 77 3.911 0.348 2.084 631 HD1 PHE 77 HD1 PHE 77 5.783 -1.502 3.144 632 HD2 PHE 77 HD2 PHE 77 1.549 -1.366 3.783 633 HE1 PHE 77 HE1 PHE 77 5.794 -3.908 3.606 634 HE2 PHE 77 HE2 PHE 77 1.551 -3.791 4.238 635 HZ PHE 77 HZ PHE 77 3.701 -5.042 4.139 636 H HIS 78 H HIS 78 6.797 -0.104 2.805 637 HA HIS 78 HA HIS 78 7.409 2.354 1.291 638 1HB HIS 78 2HB HIS 78 8.762 2.613 3.243 639 2HB HIS 78 1HB HIS 78 9.277 0.936 3.205 640 HD1 HIS 78 HD1 HIS 78 10.566 0.278 0.893 641 HD2 HIS 78 HD2 HIS 78 10.522 4.316 1.861 642 HE1 HIS 78 HE1 HIS 78 12.448 1.334 -0.365 643 H PHE 79 H PHE 79 8.814 2.109 -0.419 644 HA PHE 79 HA PHE 79 9.573 -0.611 -1.311 645 1HB PHE 79 2HB PHE 79 8.470 1.335 -3.265 646 2HB PHE 79 1HB PHE 79 8.548 -0.410 -3.396 647 HD1 PHE 79 HD1 PHE 79 6.839 2.267 -1.361 648 HD2 PHE 79 HD2 PHE 79 6.590 -1.588 -3.223 649 HE1 PHE 79 HE1 PHE 79 4.402 2.172 -0.842 650 HE2 PHE 79 HE2 PHE 79 4.186 -1.694 -2.674 651 HZ PHE 79 HZ PHE 79 3.102 0.153 -1.493 652 H SER 80 H SER 80 11.735 -0.387 -2.485 653 HA SER 80 HA SER 80 12.338 1.933 -3.886 654 1HB SER 80 2HB SER 80 12.511 2.936 -1.581 655 2HB SER 80 1HB SER 80 13.834 1.808 -1.284 656 HG SER 80 HG SER 80 14.754 3.656 -2.051 657 H ASN 81 H ASN 81 12.557 -0.810 -4.278 658 HA ASN 81 HA ASN 81 14.815 -2.190 -3.757 659 1HB ASN 81 2HB ASN 81 13.106 -1.922 -6.151 660 2HB ASN 81 1HB ASN 81 14.707 -2.611 -6.436 661 1HD2 ASN 81 1HD2 ASN 81 13.185 -2.971 -3.301 662 2HD2 ASN 81 2HD2 ASN 81 12.867 -4.621 -3.448 663 H GLU 82 H GLU 82 16.927 -2.361 -4.743 664 HA GLU 82 HA GLU 82 18.397 -0.047 -4.876 665 1HB GLU 82 2HB GLU 82 19.424 -2.278 -4.821 666 2HB GLU 82 1HB GLU 82 18.848 -2.596 -6.457 667 1HG GLU 82 2HG GLU 82 20.940 -1.832 -7.007 668 2HG GLU 82 1HG GLU 82 20.131 -0.268 -6.901 669 H SER 83 H SER 83 16.920 -1.786 -7.647 670 HA SER 83 HA SER 83 17.185 0.753 -9.137 671 1HB SER 83 2HB SER 83 17.088 -2.028 -10.314 672 2HB SER 83 1HB SER 83 17.465 -0.523 -11.149 673 HG SER 83 HG SER 83 19.367 -0.393 -10.034 674 H THR 84 H THR 84 14.888 -1.176 -7.612 675 HA THR 84 HA THR 84 12.917 -0.486 -9.714 676 HB THR 84 HB THR 84 13.217 -2.794 -7.838 677 HG1 THR 84 HG1 THR 84 12.736 -3.879 -9.651 678 1HG2 THR 84 1HG2 THR 84 11.098 -2.051 -7.057 679 2HG2 THR 84 2HG2 THR 84 10.758 -3.317 -8.235 680 3HG2 THR 84 3HG2 THR 84 10.568 -1.623 -8.681 681 H ALA 85 H ALA 85 14.066 1.283 -7.689 682 HA ALA 85 HA ALA 85 11.846 1.702 -5.808 683 1HB ALA 85 1HB ALA 85 14.324 3.414 -6.120 684 2HB ALA 85 2HB ALA 85 14.353 1.920 -5.193 685 3HB ALA 85 3HB ALA 85 13.300 3.243 -4.697 686 H VAL 86 H VAL 86 10.693 2.164 -8.169 687 HA VAL 86 HA VAL 86 10.524 5.070 -8.203 688 HB VAL 86 HB VAL 86 11.048 5.322 -10.556 689 1HG1 VAL 86 1HG1 VAL 86 12.925 5.324 -8.911 690 2HG1 VAL 86 2HG1 VAL 86 13.424 4.776 -10.511 691 3HG1 VAL 86 3HG1 VAL 86 13.160 3.604 -9.221 692 1HG2 VAL 86 1HG2 VAL 86 10.326 2.658 -10.744 693 2HG2 VAL 86 2HG2 VAL 86 12.076 2.600 -10.960 694 3HG2 VAL 86 3HG2 VAL 86 11.088 3.596 -12.028 695 H LYS 87 H LYS 87 9.366 4.715 -11.049 696 HA LYS 87 HA LYS 87 6.759 5.052 -10.699 697 1HB LYS 87 2HB LYS 87 8.327 3.688 -12.814 698 2HB LYS 87 1HB LYS 87 6.581 3.440 -12.847 699 1HG LYS 87 2HG LYS 87 6.209 5.543 -13.571 700 2HG LYS 87 1HG LYS 87 7.254 6.224 -12.324 701 1HD LYS 87 2HD LYS 87 8.154 6.738 -14.549 702 2HD LYS 87 1HD LYS 87 9.240 5.642 -13.694 703 1HE LYS 87 2HE LYS 87 8.954 4.017 -15.233 704 2HE LYS 87 1HE LYS 87 7.199 4.192 -15.186 705 1HZ LYS 87 1HZ LYS 87 7.768 4.860 -17.285 706 2HZ LYS 87 2HZ LYS 87 9.101 5.624 -16.836 707 3HZ LYS 87 3HZ LYS 87 7.669 6.267 -16.527 708 H GLU 88 H GLU 88 8.274 1.799 -10.595 709 HA GLU 88 HA GLU 88 5.997 0.240 -10.487 710 1HB GLU 88 2HB GLU 88 7.451 -0.972 -8.578 711 2HB GLU 88 1HB GLU 88 7.897 -1.075 -10.271 712 1HG GLU 88 2HG GLU 88 8.987 1.318 -9.008 713 2HG GLU 88 1HG GLU 88 9.514 -0.166 -8.227 714 H ARG 89 H ARG 89 7.716 1.204 -7.600 715 HA ARG 89 HA ARG 89 5.550 0.903 -5.835 716 1HB ARG 89 2HB ARG 89 7.814 2.811 -5.326 717 2HB ARG 89 1HB ARG 89 7.034 1.687 -4.217 718 1HG ARG 89 2HG ARG 89 8.968 1.014 -6.459 719 2HG ARG 89 1HG ARG 89 9.223 0.759 -4.748 720 1HD ARG 89 2HD ARG 89 7.296 -0.825 -4.727 721 2HD ARG 89 1HD ARG 89 7.133 -0.611 -6.462 722 HE ARG 89 HE ARG 89 9.758 -1.340 -6.072 723 1HH1 ARG 89 1HH2 ARG 89 6.631 -2.559 -5.260 724 2HH1 ARG 89 2HH2 ARG 89 7.119 -4.218 -5.327 725 1HH2 ARG 89 1HH1 ARG 89 10.403 -3.510 -6.164 726 2HH2 ARG 89 2HH1 ARG 89 9.241 -4.754 -5.853 727 H ASP 90 H ASP 90 7.134 3.757 -7.166 728 HA ASP 90 HA ASP 90 5.686 5.852 -6.251 729 1HB ASP 90 2HB ASP 90 7.017 5.269 -8.775 730 2HB ASP 90 1HB ASP 90 5.621 6.320 -9.017 731 H ALA 91 H ALA 91 4.609 3.715 -8.905 732 HA ALA 91 HA ALA 91 2.035 4.828 -9.161 733 1HB ALA 91 1HB ALA 91 1.481 2.810 -10.354 734 2HB ALA 91 2HB ALA 91 2.795 1.925 -9.578 735 3HB ALA 91 3HB ALA 91 3.156 3.195 -10.747 736 H VAL 92 H VAL 92 3.150 1.946 -7.335 737 HA VAL 92 HA VAL 92 0.869 1.078 -6.127 738 HB VAL 92 HB VAL 92 3.580 1.554 -4.871 739 1HG1 VAL 92 1HG1 VAL 92 1.014 0.964 -3.578 740 2HG1 VAL 92 2HG1 VAL 92 2.541 1.477 -2.863 741 3HG1 VAL 92 3HG1 VAL 92 2.262 -0.231 -3.228 742 1HG2 VAL 92 1HG2 VAL 92 3.797 -0.316 -6.216 743 2HG2 VAL 92 2HG2 VAL 92 2.091 -0.745 -6.070 744 3HG2 VAL 92 3HG2 VAL 92 3.201 -1.070 -4.733 745 H LYS 93 H LYS 93 2.852 3.697 -4.678 746 HA LYS 93 HA LYS 93 0.863 4.509 -2.844 747 1HB LYS 93 2HB LYS 93 3.267 5.204 -2.792 748 2HB LYS 93 1HB LYS 93 2.963 6.233 -4.189 749 1HG LYS 93 2HG LYS 93 1.333 7.533 -2.924 750 2HG LYS 93 1HG LYS 93 1.476 6.436 -1.553 751 1HD LYS 93 2HD LYS 93 2.837 8.360 -1.063 752 2HD LYS 93 1HD LYS 93 3.933 7.035 -1.455 753 1HE LYS 93 2HE LYS 93 4.540 9.191 -2.587 754 2HE LYS 93 1HE LYS 93 4.226 7.873 -3.716 755 1HZ LYS 93 1HZ LYS 93 2.017 9.550 -2.968 756 2HZ LYS 93 2HZ LYS 93 2.314 8.830 -4.366 757 3HZ LYS 93 3HZ LYS 93 3.093 10.173 -3.977 758 H ASP 94 H ASP 94 1.769 5.687 -6.067 759 HA ASP 94 HA ASP 94 -0.053 7.649 -6.578 760 1HB ASP 94 2HB ASP 94 1.732 6.372 -8.102 761 2HB ASP 94 1HB ASP 94 0.266 5.603 -8.708 762 H LEU 95 H LEU 95 -0.781 4.251 -6.106 763 HA LEU 95 HA LEU 95 -3.442 4.610 -7.269 764 1HB LEU 95 2HB LEU 95 -2.693 2.215 -5.643 765 2HB LEU 95 1HB LEU 95 -3.677 2.312 -7.103 766 HG LEU 95 HG LEU 95 -0.670 2.416 -6.876 767 1HD1 LEU 95 1HD1 LEU 95 -0.982 0.235 -7.355 768 2HD1 LEU 95 2HD1 LEU 95 -1.512 0.756 -8.955 769 3HD1 LEU 95 3HD1 LEU 95 -2.697 0.488 -7.676 770 1HD2 LEU 95 1HD2 LEU 95 -0.942 4.081 -8.477 771 2HD2 LEU 95 2HD2 LEU 95 -2.506 3.459 -9.002 772 3HD2 LEU 95 3HD2 LEU 95 -1.022 2.654 -9.509 773 H LEU 96 H LEU 96 -1.799 4.039 -4.191 774 HA LEU 96 HA LEU 96 -3.797 3.859 -2.381 775 1HB LEU 96 2HB LEU 96 -1.383 5.687 -2.224 776 2HB LEU 96 1HB LEU 96 -2.336 5.149 -0.845 777 HG LEU 96 HG LEU 96 -0.504 3.539 -2.618 778 1HD1 LEU 96 1HD1 LEU 96 -0.776 4.264 0.234 779 2HD1 LEU 96 2HD1 LEU 96 0.673 3.947 -0.723 780 3HD1 LEU 96 3HD1 LEU 96 -0.277 2.603 -0.087 781 1HD2 LEU 96 1HD2 LEU 96 -1.495 1.480 -1.676 782 2HD2 LEU 96 2HD2 LEU 96 -2.660 2.359 -2.666 783 3HD2 LEU 96 3HD2 LEU 96 -2.756 2.444 -0.907 784 H GLN 97 H GLN 97 -2.502 7.038 -3.395 785 HA GLN 97 HA GLN 97 -4.767 8.416 -2.270 786 1HB GLN 97 2HB GLN 97 -3.956 10.384 -3.357 787 2HB GLN 97 1HB GLN 97 -2.587 9.543 -2.642 788 1HG GLN 97 2HG GLN 97 -3.091 8.636 -5.353 789 2HG GLN 97 1HG GLN 97 -2.858 10.386 -5.307 790 1HE2 GLN 97 1HE2 GLN 97 -1.333 7.293 -4.735 791 2HE2 GLN 97 2HE2 GLN 97 0.231 7.885 -4.469 792 H GLN 98 H GLN 98 -4.632 6.500 -4.905 793 HA GLN 98 HA GLN 98 -6.480 8.057 -6.543 794 1HB GLN 98 2HB GLN 98 -4.480 6.475 -7.317 795 2HB GLN 98 1HB GLN 98 -5.726 5.233 -7.168 796 1HG GLN 98 2HG GLN 98 -7.113 7.178 -8.478 797 2HG GLN 98 1HG GLN 98 -5.492 7.440 -9.124 798 1HE2 GLN 98 1HE2 GLN 98 -7.120 4.376 -8.146 799 2HE2 GLN 98 2HE2 GLN 98 -6.942 3.627 -9.658 800 H LEU 99 H LEU 99 -6.347 5.162 -4.500 801 HA LEU 99 HA LEU 99 -9.205 4.646 -4.964 802 1HB LEU 99 2HB LEU 99 -7.960 3.154 -2.782 803 2HB LEU 99 1HB LEU 99 -8.777 2.531 -4.200 804 HG LEU 99 HG LEU 99 -6.458 3.445 -5.310 805 1HD1 LEU 99 1HD1 LEU 99 -4.778 2.412 -3.556 806 2HD1 LEU 99 2HD1 LEU 99 -6.053 2.836 -2.412 807 3HD1 LEU 99 3HD1 LEU 99 -5.317 4.079 -3.396 808 1HD2 LEU 99 1HD2 LEU 99 -6.672 1.276 -5.928 809 2HD2 LEU 99 2HD2 LEU 99 -7.570 0.879 -4.463 810 3HD2 LEU 99 3HD2 LEU 99 -5.805 0.872 -4.446 811 H LEU 100 H LEU 100 -6.991 5.984 -2.636 812 HA LEU 100 HA LEU 100 -8.300 5.932 -0.306 813 1HB LEU 100 2HB LEU 100 -6.267 7.078 -0.250 814 2HB LEU 100 1HB LEU 100 -6.685 8.099 -1.618 815 HG LEU 100 HG LEU 100 -8.462 9.161 -0.143 816 1HD1 LEU 100 1HD1 LEU 100 -6.934 7.616 1.976 817 2HD1 LEU 100 2HD1 LEU 100 -8.618 7.357 1.518 818 3HD1 LEU 100 3HD1 LEU 100 -8.139 8.862 2.303 819 1HD2 LEU 100 1HD2 LEU 100 -6.914 10.682 0.828 820 2HD2 LEU 100 2HD2 LEU 100 -6.080 10.039 -0.586 821 3HD2 LEU 100 3HD2 LEU 100 -5.686 9.431 1.021 822 HA PRO 101 HA PRO 101 -11.011 9.653 -1.977 823 1HB PRO 101 2HB PRO 101 -11.105 8.653 -4.768 824 2HB PRO 101 1HB PRO 101 -11.056 10.325 -4.187 825 1HG PRO 101 2HG PRO 101 -8.921 8.998 -5.319 826 2HG PRO 101 1HG PRO 101 -8.756 10.366 -4.205 827 1HD PRO 101 2HD PRO 101 -8.120 7.561 -3.755 828 2HD PRO 101 1HD PRO 101 -7.734 8.969 -2.752 829 H LYS 102 H LYS 102 -10.965 6.404 -3.331 830 HA LYS 102 HA LYS 102 -13.646 5.930 -3.815 831 1HB LYS 102 2HB LYS 102 -11.785 4.393 -4.364 832 2HB LYS 102 1HB LYS 102 -11.612 4.027 -2.646 833 1HG LYS 102 2HG LYS 102 -13.256 2.520 -2.741 834 2HG LYS 102 1HG LYS 102 -14.366 3.712 -3.424 835 1HD LYS 102 2HD LYS 102 -12.355 2.794 -5.348 836 2HD LYS 102 1HD LYS 102 -13.380 1.488 -4.753 837 1HE LYS 102 2HE LYS 102 -15.391 2.813 -5.319 838 2HE LYS 102 1HE LYS 102 -14.359 4.103 -5.937 839 1HZ LYS 102 1HZ LYS 102 -14.586 2.975 -7.820 840 2HZ LYS 102 2HZ LYS 102 -14.999 1.597 -7.119 841 3HZ LYS 102 3HZ LYS 102 -13.455 2.002 -7.238 842 H PHE 103 H PHE 103 -11.918 5.575 -0.694 843 HA PHE 103 HA PHE 103 -14.546 4.980 0.499 844 1HB PHE 103 2HB PHE 103 -12.743 4.461 2.503 845 2HB PHE 103 1HB PHE 103 -13.333 3.262 1.357 846 HD1 PHE 103 HD1 PHE 103 -12.074 3.097 -0.907 847 HD2 PHE 103 HD2 PHE 103 -10.436 4.910 2.625 848 HE1 PHE 103 HE1 PHE 103 -9.805 2.845 -1.843 849 HE2 PHE 103 HE2 PHE 103 -8.149 4.650 1.695 850 HZ PHE 103 HZ PHE 103 -7.831 3.620 -0.543 851 H LYS 104 H LYS 104 -12.484 7.547 0.068 852 HA LYS 104 HA LYS 104 -12.843 8.710 2.709 853 1HB LYS 104 2HB LYS 104 -11.695 9.750 0.109 854 2HB LYS 104 1HB LYS 104 -11.830 10.740 1.562 855 1HG LYS 104 2HG LYS 104 -10.414 8.067 1.505 856 2HG LYS 104 1HG LYS 104 -9.588 9.605 1.267 857 1HD LYS 104 2HD LYS 104 -11.303 9.029 3.688 858 2HD LYS 104 1HD LYS 104 -9.572 8.703 3.644 859 1HE LYS 104 2HE LYS 104 -10.735 11.415 2.979 860 2HE LYS 104 1HE LYS 104 -10.236 10.967 4.610 861 1HZ LYS 104 1HZ LYS 104 -8.520 12.070 3.259 862 2HZ LYS 104 2HZ LYS 104 -8.468 10.788 2.303 863 3HZ LYS 104 3HZ LYS 104 -8.061 10.652 3.845 864 H ARG 105 H ARG 105 -13.526 11.344 2.083 865 HA ARG 105 HA ARG 105 -16.281 11.324 2.094 866 1HB ARG 105 2HB ARG 105 -14.200 13.345 1.455 867 2HB ARG 105 1HB ARG 105 -15.838 13.708 0.908 868 1HG ARG 105 2HG ARG 105 -16.707 13.429 3.162 869 2HG ARG 105 1HG ARG 105 -15.131 12.893 3.741 870 1HD ARG 105 2HD ARG 105 -14.369 15.007 3.931 871 2HD ARG 105 1HD ARG 105 -14.997 15.467 2.351 872 HE ARG 105 HE ARG 105 -16.126 16.147 4.826 873 1HH1 ARG 105 1HH2 ARG 105 -17.082 14.782 1.789 874 2HH1 ARG 105 2HH2 ARG 105 -18.763 15.098 2.045 875 1HH2 ARG 105 1HH1 ARG 105 -18.304 16.575 5.141 876 2HH2 ARG 105 2HH1 ARG 105 -19.452 16.117 3.928 877 H LYS 106 H LYS 106 -15.080 13.035 -0.708 878 HA LYS 106 HA LYS 106 -16.742 11.239 -2.371 879 1HB LYS 106 2HB LYS 106 -16.046 14.172 -2.690 880 2HB LYS 106 1HB LYS 106 -16.922 13.224 -3.892 881 1HG LYS 106 2HG LYS 106 -18.255 12.691 -1.495 882 2HG LYS 106 1HG LYS 106 -17.900 14.417 -1.422 883 1HD LYS 106 2HD LYS 106 -19.103 13.120 -3.874 884 2HD LYS 106 1HD LYS 106 -20.094 13.772 -2.569 885 1HE LYS 106 2HE LYS 106 -18.544 15.899 -2.904 886 2HE LYS 106 1HE LYS 106 -18.336 15.215 -4.516 887 1HZ LYS 106 1HZ LYS 106 -21.009 15.371 -3.491 888 2HZ LYS 106 2HZ LYS 106 -20.484 15.571 -4.990 889 3HZ LYS 106 3HZ LYS 106 -20.331 16.755 -3.924 890 H ALA 107 H ALA 107 -15.853 11.951 -4.865 891 HA ALA 107 HA ALA 107 -12.958 11.337 -4.760 892 1HB ALA 107 1HB ALA 107 -13.215 9.563 -6.161 893 2HB ALA 107 2HB ALA 107 -14.471 10.367 -7.102 894 3HB ALA 107 3HB ALA 107 -14.880 9.573 -5.582 895 H ASN 108 H ASN 108 -12.135 11.679 -7.223 896 HA ASN 108 HA ASN 108 -13.408 14.059 -8.371 897 1HB ASN 108 2HB ASN 108 -11.786 14.971 -6.781 898 2HB ASN 108 1HB ASN 108 -10.519 13.948 -7.459 899 1HD2 ASN 108 1HD2 ASN 108 -9.202 15.109 -8.860 900 2HD2 ASN 108 2HD2 ASN 108 -9.722 16.362 -9.880 Start of MODEL 14 1 1H MET 1 1H MET 1 -24.392 -7.436 -5.656 2 2H MET 1 2H MET 1 -24.488 -8.779 -6.523 3 3H MET 1 3H MET 1 -25.056 -7.405 -7.113 4 HA MET 1 HA MET 1 -23.083 -7.612 -8.237 5 1HB MET 1 2HB MET 1 -23.418 -5.592 -6.295 6 2HB MET 1 1HB MET 1 -21.740 -6.120 -6.153 7 1HG MET 1 2HG MET 1 -21.974 -6.020 -8.853 8 2HG MET 1 1HG MET 1 -23.105 -4.745 -8.399 9 1HE MET 1 1HE MET 1 -21.273 -3.359 -9.950 10 2HE MET 1 2HE MET 1 -20.225 -4.775 -9.987 11 3HE MET 1 3HE MET 1 -19.568 -3.213 -9.502 12 H ALA 2 H ALA 2 -22.673 -9.969 -7.772 13 HA ALA 2 HA ALA 2 -20.114 -10.218 -6.408 14 1HB ALA 2 1HB ALA 2 -21.440 -10.685 -4.507 15 2HB ALA 2 2HB ALA 2 -21.055 -12.277 -5.160 16 3HB ALA 2 3HB ALA 2 -22.640 -11.563 -5.455 17 H THR 3 H THR 3 -19.842 -10.521 -8.859 18 HA THR 3 HA THR 3 -20.773 -13.120 -9.827 19 HB THR 3 HB THR 3 -19.563 -12.376 -11.928 20 HG1 THR 3 HG1 THR 3 -18.190 -10.842 -11.521 21 1HG2 THR 3 1HG2 THR 3 -21.220 -10.197 -11.978 22 2HG2 THR 3 2HG2 THR 3 -21.914 -11.134 -10.655 23 3HG2 THR 3 3HG2 THR 3 -21.750 -11.856 -12.255 24 H SER 4 H SER 4 -17.586 -11.476 -9.863 25 HA SER 4 HA SER 4 -16.358 -14.135 -9.563 26 1HB SER 4 2HB SER 4 -15.472 -12.884 -11.414 27 2HB SER 4 1HB SER 4 -15.274 -11.442 -10.422 28 HG SER 4 HG SER 4 -13.637 -13.585 -10.732 29 H SER 5 H SER 5 -13.962 -13.460 -8.387 30 HA SER 5 HA SER 5 -14.845 -12.930 -5.656 31 1HB SER 5 2HB SER 5 -12.004 -13.476 -6.464 32 2HB SER 5 1HB SER 5 -12.836 -13.909 -4.973 33 HG SER 5 HG SER 5 -14.174 -15.284 -6.378 34 H GLU 6 H GLU 6 -12.253 -11.885 -4.817 35 HA GLU 6 HA GLU 6 -12.790 -9.114 -5.165 36 1HB GLU 6 2HB GLU 6 -10.159 -10.279 -4.255 37 2HB GLU 6 1HB GLU 6 -10.892 -8.745 -3.789 38 1HG GLU 6 2HG GLU 6 -11.597 -9.901 -1.960 39 2HG GLU 6 1HG GLU 6 -12.849 -10.499 -3.050 40 H GLU 7 H GLU 7 -11.197 -7.568 -6.073 41 HA GLU 7 HA GLU 7 -9.805 -8.720 -8.427 42 1HB GLU 7 2HB GLU 7 -11.000 -5.940 -8.251 43 2HB GLU 7 1HB GLU 7 -10.362 -6.746 -9.685 44 1HG GLU 7 2HG GLU 7 -12.404 -8.377 -8.440 45 2HG GLU 7 1HG GLU 7 -13.030 -6.764 -8.783 46 H VAL 8 H VAL 8 -7.556 -8.576 -7.915 47 HA VAL 8 HA VAL 8 -6.813 -6.394 -6.143 48 HB VAL 8 HB VAL 8 -5.167 -7.786 -5.399 49 1HG1 VAL 8 1HG1 VAL 8 -5.890 -9.986 -5.276 50 2HG1 VAL 8 2HG1 VAL 8 -6.328 -10.047 -6.983 51 3HG1 VAL 8 3HG1 VAL 8 -7.369 -9.204 -5.836 52 1HG2 VAL 8 1HG2 VAL 8 -3.844 -7.550 -7.486 53 2HG2 VAL 8 2HG2 VAL 8 -4.799 -8.833 -8.228 54 3HG2 VAL 8 3HG2 VAL 8 -3.757 -9.193 -6.852 55 H LEU 9 H LEU 9 -5.014 -5.078 -6.634 56 HA LEU 9 HA LEU 9 -4.849 -4.487 -9.502 57 1HB LEU 9 2HB LEU 9 -5.500 -2.633 -8.118 58 2HB LEU 9 1HB LEU 9 -4.137 -2.892 -7.033 59 HG LEU 9 HG LEU 9 -2.714 -2.574 -9.239 60 1HD1 LEU 9 1HD1 LEU 9 -5.319 -1.146 -9.854 61 2HD1 LEU 9 2HD1 LEU 9 -4.619 -2.479 -10.771 62 3HD1 LEU 9 3HD1 LEU 9 -3.813 -0.911 -10.740 63 1HD2 LEU 9 1HD2 LEU 9 -3.719 0.055 -8.517 64 2HD2 LEU 9 2HD2 LEU 9 -2.142 -0.662 -8.185 65 3HD2 LEU 9 3HD2 LEU 9 -3.493 -0.951 -7.089 66 H LEU 10 H LEU 10 -2.478 -4.830 -6.712 67 HA LEU 10 HA LEU 10 -0.672 -6.013 -8.657 68 1HB LEU 10 2HB LEU 10 -0.609 -3.286 -8.490 69 2HB LEU 10 1HB LEU 10 0.617 -3.740 -7.311 70 HG LEU 10 HG LEU 10 1.141 -5.449 -9.417 71 1HD1 LEU 10 1HD1 LEU 10 0.739 -4.457 -11.437 72 2HD1 LEU 10 2HD1 LEU 10 0.978 -2.830 -10.799 73 3HD1 LEU 10 3HD1 LEU 10 -0.559 -3.658 -10.549 74 1HD2 LEU 10 1HD2 LEU 10 2.946 -4.416 -8.324 75 2HD2 LEU 10 2HD2 LEU 10 2.267 -2.801 -8.525 76 3HD2 LEU 10 3HD2 LEU 10 2.968 -3.642 -9.908 77 H ILE 11 H ILE 11 1.460 -6.557 -7.592 78 HA ILE 11 HA ILE 11 1.181 -6.883 -4.677 79 HB ILE 11 HB ILE 11 0.615 -9.047 -5.319 80 1HG1 ILE 11 2HG1 ILE 11 2.905 -8.931 -4.080 81 2HG1 ILE 11 1HG1 ILE 11 2.454 -10.452 -4.839 82 1HG2 ILE 11 1HG2 ILE 11 1.598 -10.160 -7.339 83 2HG2 ILE 11 2HG2 ILE 11 2.464 -8.662 -7.688 84 3HG2 ILE 11 3HG2 ILE 11 0.699 -8.689 -7.718 85 1HD1 ILE 11 1HD1 ILE 11 3.820 -8.799 -6.765 86 2HD1 ILE 11 2HD1 ILE 11 4.269 -10.391 -6.157 87 3HD1 ILE 11 3HD1 ILE 11 4.794 -8.941 -5.304 88 H VAL 12 H VAL 12 3.105 -6.485 -3.624 89 HA VAL 12 HA VAL 12 5.464 -6.175 -5.366 90 HB VAL 12 HB VAL 12 5.995 -4.484 -3.276 91 1HG1 VAL 12 1HG1 VAL 12 5.578 -2.702 -4.902 92 2HG1 VAL 12 2HG1 VAL 12 4.576 -3.789 -5.863 93 3HG1 VAL 12 3HG1 VAL 12 6.306 -4.092 -5.708 94 1HG2 VAL 12 1HG2 VAL 12 3.770 -3.040 -3.443 95 2HG2 VAL 12 2HG2 VAL 12 3.936 -4.297 -2.220 96 3HG2 VAL 12 3HG2 VAL 12 3.027 -4.612 -3.694 97 H LYS 13 H LYS 13 6.389 -8.068 -4.909 98 HA LYS 13 HA LYS 13 6.550 -9.428 -2.482 99 1HB LYS 13 2HB LYS 13 8.111 -10.787 -3.583 100 2HB LYS 13 1HB LYS 13 7.182 -10.094 -4.905 101 1HG LYS 13 2HG LYS 13 9.210 -8.227 -4.444 102 2HG LYS 13 1HG LYS 13 10.009 -9.795 -4.321 103 1HD LYS 13 2HD LYS 13 8.179 -9.011 -6.603 104 2HD LYS 13 1HD LYS 13 9.935 -8.856 -6.659 105 1HE LYS 13 2HE LYS 13 8.810 -11.496 -5.837 106 2HE LYS 13 1HE LYS 13 8.702 -11.057 -7.542 107 1HZ LYS 13 1HZ LYS 13 11.221 -10.661 -6.221 108 2HZ LYS 13 2HZ LYS 13 10.927 -11.091 -7.734 109 3HZ LYS 13 3HZ LYS 13 10.812 -12.171 -6.559 110 H LYS 14 H LYS 14 8.073 -6.613 -3.497 111 HA LYS 14 HA LYS 14 10.009 -6.837 -1.269 112 1HB LYS 14 2HB LYS 14 10.658 -6.413 -3.879 113 2HB LYS 14 1HB LYS 14 10.455 -4.753 -3.322 114 1HG LYS 14 2HG LYS 14 12.767 -5.409 -2.971 115 2HG LYS 14 1HG LYS 14 11.976 -5.265 -1.400 116 1HD LYS 14 2HD LYS 14 12.115 -7.503 -0.979 117 2HD LYS 14 1HD LYS 14 11.804 -7.939 -2.659 118 1HE LYS 14 2HE LYS 14 14.415 -6.688 -1.799 119 2HE LYS 14 1HE LYS 14 14.161 -8.433 -1.758 120 1HZ LYS 14 1HZ LYS 14 14.052 -8.511 -3.994 121 2HZ LYS 14 2HZ LYS 14 15.050 -7.267 -3.867 122 3HZ LYS 14 3HZ LYS 14 13.499 -7.020 -4.175 123 H VAL 15 H VAL 15 9.360 -5.643 0.435 124 HA VAL 15 HA VAL 15 8.709 -2.891 -0.108 125 HB VAL 15 HB VAL 15 6.543 -4.682 0.931 126 1HG1 VAL 15 1HG1 VAL 15 6.544 -1.683 1.239 127 2HG1 VAL 15 2HG1 VAL 15 7.042 -2.736 2.560 128 3HG1 VAL 15 3HG1 VAL 15 5.407 -2.844 1.907 129 1HG2 VAL 15 1HG2 VAL 15 6.054 -4.233 -1.240 130 2HG2 VAL 15 2HG2 VAL 15 7.112 -2.824 -1.275 131 3HG2 VAL 15 3HG2 VAL 15 5.498 -2.694 -0.585 132 H ARG 16 H ARG 16 9.018 -1.548 1.611 133 HA ARG 16 HA ARG 16 10.295 -2.809 3.970 134 1HB ARG 16 2HB ARG 16 12.026 -1.762 2.659 135 2HB ARG 16 1HB ARG 16 11.017 -0.374 2.312 136 1HG ARG 16 2HG ARG 16 11.782 0.677 4.134 137 2HG ARG 16 1HG ARG 16 11.200 -0.631 5.154 138 1HD ARG 16 2HD ARG 16 13.933 -0.166 4.025 139 2HD ARG 16 1HD ARG 16 13.470 -0.718 5.634 140 HE ARG 16 HE ARG 16 12.713 -2.782 4.030 141 1HH1 ARG 16 1HH2 ARG 16 15.582 -0.915 4.512 142 2HH1 ARG 16 2HH2 ARG 16 16.648 -2.198 4.050 143 1HH2 ARG 16 1HH1 ARG 16 14.102 -4.457 3.408 144 2HH2 ARG 16 2HH1 ARG 16 15.813 -4.198 3.432 145 H GLN 17 H GLN 17 9.459 -2.178 5.842 146 HA GLN 17 HA GLN 17 8.016 0.369 5.886 147 1HB GLN 17 2HB GLN 17 6.254 -0.800 7.319 148 2HB GLN 17 1HB GLN 17 6.241 -1.206 5.615 149 1HG GLN 17 2HG GLN 17 7.385 -3.270 5.987 150 2HG GLN 17 1HG GLN 17 7.656 -2.867 7.672 151 1HE2 GLN 17 1HE2 GLN 17 4.612 -1.675 7.062 152 2HE2 GLN 17 2HE2 GLN 17 3.692 -3.030 7.499 153 H LYS 18 H LYS 18 8.628 1.511 7.621 154 HA LYS 18 HA LYS 18 10.850 1.209 8.996 155 1HB LYS 18 2HB LYS 18 8.457 2.687 9.472 156 2HB LYS 18 1HB LYS 18 9.045 2.078 11.021 157 1HG LYS 18 2HG LYS 18 11.179 3.103 10.728 158 2HG LYS 18 1HG LYS 18 10.868 3.431 9.023 159 1HD LYS 18 2HD LYS 18 9.442 5.208 9.482 160 2HD LYS 18 1HD LYS 18 9.018 4.589 11.078 161 1HE LYS 18 2HE LYS 18 10.478 6.168 11.826 162 2HE LYS 18 1HE LYS 18 11.707 4.989 11.369 163 1HZ LYS 18 1HZ LYS 18 11.104 6.299 9.096 164 2HZ LYS 18 2HZ LYS 18 12.411 6.532 9.990 165 3HZ LYS 18 3HZ LYS 18 11.128 7.467 10.192 166 H LYS 19 H LYS 19 8.036 -0.789 9.667 167 HA LYS 19 HA LYS 19 9.159 -1.744 12.151 168 1HB LYS 19 2HB LYS 19 7.304 -3.327 12.139 169 2HB LYS 19 1HB LYS 19 6.690 -1.739 11.702 170 1HG LYS 19 2HG LYS 19 6.836 -2.427 9.263 171 2HG LYS 19 1HG LYS 19 7.269 -4.053 9.794 172 1HD LYS 19 2HD LYS 19 4.888 -3.972 9.348 173 2HD LYS 19 1HD LYS 19 5.140 -4.152 11.086 174 1HE LYS 19 2HE LYS 19 5.145 -1.394 10.706 175 2HE LYS 19 1HE LYS 19 3.880 -1.964 9.618 176 1HZ LYS 19 1HZ LYS 19 2.709 -2.795 11.349 177 2HZ LYS 19 2HZ LYS 19 3.373 -1.539 12.084 178 3HZ LYS 19 3HZ LYS 19 3.976 -3.004 12.305 179 H GLN 20 H GLN 20 8.635 -3.111 8.955 180 HA GLN 20 HA GLN 20 11.015 -4.771 9.172 181 1HB GLN 20 2HB GLN 20 8.482 -5.758 9.840 182 2HB GLN 20 1HB GLN 20 8.787 -6.328 8.197 183 1HG GLN 20 2HG GLN 20 11.221 -6.624 9.577 184 2HG GLN 20 1HG GLN 20 9.970 -7.235 10.663 185 1HE2 GLN 20 1HE2 GLN 20 11.497 -9.253 9.824 186 2HE2 GLN 20 2HE2 GLN 20 10.797 -10.127 8.548 187 H ASP 21 H ASP 21 11.336 -6.015 7.088 188 HA ASP 21 HA ASP 21 10.336 -4.386 4.834 189 1HB ASP 21 2HB ASP 21 12.590 -6.395 4.641 190 2HB ASP 21 1HB ASP 21 12.316 -4.962 3.641 191 H GLY 22 H GLY 22 8.975 -5.519 3.529 192 1HA GLY 22 2HA GLY 22 8.803 -8.386 3.607 193 2HA GLY 22 1HA GLY 22 7.501 -7.590 4.462 194 H ALA 23 H ALA 23 6.973 -9.124 2.158 195 HA ALA 23 HA ALA 23 6.755 -7.309 -0.034 196 1HB ALA 23 1HB ALA 23 5.817 -10.130 0.478 197 2HB ALA 23 2HB ALA 23 7.108 -9.597 -0.595 198 3HB ALA 23 3HB ALA 23 5.426 -9.266 -1.008 199 H LEU 24 H LEU 24 5.220 -6.178 -0.535 200 HA LEU 24 HA LEU 24 2.732 -6.104 1.094 201 1HB LEU 24 2HB LEU 24 4.505 -4.129 0.040 202 2HB LEU 24 1HB LEU 24 2.908 -3.832 -0.615 203 HG LEU 24 HG LEU 24 3.784 -3.943 2.265 204 1HD1 LEU 24 1HD1 LEU 24 2.828 -1.934 0.296 205 2HD1 LEU 24 2HD1 LEU 24 3.929 -1.734 1.655 206 3HD1 LEU 24 3HD1 LEU 24 2.186 -1.767 1.927 207 1HD2 LEU 24 1HD2 LEU 24 1.220 -3.477 2.596 208 2HD2 LEU 24 2HD2 LEU 24 1.784 -5.141 2.441 209 3HD2 LEU 24 3HD2 LEU 24 1.056 -4.324 1.058 210 H TYR 25 H TYR 25 0.786 -6.526 0.191 211 HA TYR 25 HA TYR 25 0.603 -6.922 -2.742 212 1HB TYR 25 2HB TYR 25 -0.607 -8.249 -0.338 213 2HB TYR 25 1HB TYR 25 -1.590 -8.130 -1.793 214 HD1 TYR 25 HD1 TYR 25 1.394 -9.620 -0.270 215 HD2 TYR 25 HD2 TYR 25 -0.962 -9.283 -3.839 216 HE1 TYR 25 HE1 TYR 25 2.560 -11.592 -1.212 217 HE2 TYR 25 HE2 TYR 25 0.196 -11.264 -4.790 218 HH TYR 25 HH TYR 25 2.455 -12.411 -4.446 219 H LEU 26 H LEU 26 -1.052 -5.544 -3.802 220 HA LEU 26 HA LEU 26 -2.674 -4.049 -1.856 221 1HB LEU 26 2HB LEU 26 -1.132 -2.491 -2.798 222 2HB LEU 26 1HB LEU 26 -1.295 -3.190 -4.407 223 HG LEU 26 HG LEU 26 -3.752 -2.495 -4.319 224 1HD1 LEU 26 1HD1 LEU 26 -4.480 -0.976 -2.670 225 2HD1 LEU 26 2HD1 LEU 26 -2.833 -0.601 -2.165 226 3HD1 LEU 26 3HD1 LEU 26 -3.548 -2.158 -1.749 227 1HD2 LEU 26 1HD2 LEU 26 -1.480 -0.502 -4.301 228 2HD2 LEU 26 2HD2 LEU 26 -3.133 -0.034 -4.699 229 3HD2 LEU 26 3HD2 LEU 26 -2.287 -1.218 -5.696 230 H MET 27 H MET 27 -4.852 -3.936 -2.359 231 HA MET 27 HA MET 27 -5.719 -5.009 -4.943 232 1HB MET 27 2HB MET 27 -6.076 -6.928 -3.644 233 2HB MET 27 1HB MET 27 -6.485 -6.006 -2.210 234 1HG MET 27 2HG MET 27 -8.585 -5.258 -3.291 235 2HG MET 27 1HG MET 27 -8.175 -6.199 -4.722 236 1HE MET 27 1HE MET 27 -6.719 -8.570 -2.270 237 2HE MET 27 2HE MET 27 -6.923 -8.540 -4.019 238 3HE MET 27 3HE MET 27 -7.767 -9.754 -3.063 239 H ALA 28 H ALA 28 -7.727 -4.034 -5.587 240 HA ALA 28 HA ALA 28 -8.068 -1.410 -5.218 241 1HB ALA 28 1HB ALA 28 -10.664 -2.021 -5.398 242 2HB ALA 28 2HB ALA 28 -9.999 -3.620 -5.749 243 3HB ALA 28 3HB ALA 28 -9.561 -2.236 -6.757 244 H GLU 29 H GLU 29 -10.013 -3.680 -3.301 245 HA GLU 29 HA GLU 29 -10.742 -1.528 -1.555 246 1HB GLU 29 2HB GLU 29 -12.431 -3.094 -2.041 247 2HB GLU 29 1HB GLU 29 -11.393 -4.450 -1.624 248 1HG GLU 29 2HG GLU 29 -11.700 -4.175 0.645 249 2HG GLU 29 1HG GLU 29 -11.926 -2.431 0.510 250 H ARG 30 H ARG 30 -7.959 -3.590 -1.310 251 HA ARG 30 HA ARG 30 -7.631 -2.482 1.333 252 1HB ARG 30 2HB ARG 30 -7.882 -4.304 2.672 253 2HB ARG 30 1HB ARG 30 -9.071 -4.717 1.447 254 1HG ARG 30 2HG ARG 30 -6.203 -5.686 1.559 255 2HG ARG 30 1HG ARG 30 -7.631 -6.643 1.947 256 1HD ARG 30 2HD ARG 30 -6.921 -5.429 -0.703 257 2HD ARG 30 1HD ARG 30 -6.950 -7.146 -0.331 258 HE ARG 30 HE ARG 30 -9.119 -5.518 -1.162 259 1HH1 ARG 30 1HH2 ARG 30 -8.312 -8.014 1.084 260 2HH1 ARG 30 2HH2 ARG 30 -9.960 -8.409 1.433 261 1HH2 ARG 30 1HH1 ARG 30 -11.272 -6.055 -0.735 262 2HH2 ARG 30 2HH1 ARG 30 -11.629 -7.312 0.399 263 H ILE 31 H ILE 31 -5.628 -3.155 2.360 264 HA ILE 31 HA ILE 31 -3.545 -3.675 0.317 265 HB ILE 31 HB ILE 31 -3.748 -1.817 2.648 266 1HG1 ILE 31 2HG1 ILE 31 -3.828 -1.265 0.139 267 2HG1 ILE 31 1HG1 ILE 31 -2.740 -0.295 1.132 268 1HG2 ILE 31 1HG2 ILE 31 -1.329 -1.704 2.953 269 2HG2 ILE 31 2HG2 ILE 31 -1.084 -2.965 1.745 270 3HG2 ILE 31 3HG2 ILE 31 -1.870 -3.351 3.276 271 1HD1 ILE 31 1HD1 ILE 31 -1.545 -0.953 -0.872 272 2HD1 ILE 31 2HD1 ILE 31 -1.987 -2.643 -0.633 273 3HD1 ILE 31 3HD1 ILE 31 -0.873 -1.855 0.484 274 H ALA 32 H ALA 32 -2.198 -5.444 0.672 275 HA ALA 32 HA ALA 32 -2.552 -6.829 3.261 276 1HB ALA 32 1HB ALA 32 -1.916 -8.889 1.786 277 2HB ALA 32 2HB ALA 32 -2.441 -7.861 0.453 278 3HB ALA 32 3HB ALA 32 -3.568 -8.273 1.745 279 H TRP 33 H TRP 33 -0.779 -7.843 4.169 280 HA TRP 33 HA TRP 33 1.807 -7.121 2.902 281 1HB TRP 33 2HB TRP 33 1.295 -5.693 4.894 282 2HB TRP 33 1HB TRP 33 1.340 -7.150 5.872 283 HD1 TRP 33 HD1 TRP 33 3.636 -6.161 2.962 284 HE1 TRP 33 HE1 TRP 33 6.046 -6.121 3.861 285 HE3 TRP 33 HE3 TRP 33 2.886 -7.343 7.883 286 HZ2 TRP 33 HZ2 TRP 33 7.492 -6.544 6.181 287 HZ3 TRP 33 HZ3 TRP 33 4.828 -7.564 9.401 288 HH2 TRP 33 HH2 TRP 33 7.134 -7.184 8.559 289 H ALA 34 H ALA 34 3.411 -8.569 3.020 290 HA ALA 34 HA ALA 34 3.130 -10.971 4.603 291 1HB ALA 34 1HB ALA 34 1.926 -11.760 2.778 292 2HB ALA 34 2HB ALA 34 3.560 -12.362 2.500 293 3HB ALA 34 3HB ALA 34 2.976 -10.951 1.615 294 HA PRO 35 HA PRO 35 7.400 -9.683 4.642 295 1HB PRO 35 2HB PRO 35 8.061 -11.949 6.258 296 2HB PRO 35 1HB PRO 35 7.910 -10.265 6.777 297 1HG PRO 35 2HG PRO 35 6.117 -12.459 7.333 298 2HG PRO 35 1HG PRO 35 5.997 -10.783 7.888 299 1HD PRO 35 2HD PRO 35 4.396 -12.096 5.889 300 2HD PRO 35 1HD PRO 35 4.287 -10.417 6.443 301 H GLU 36 H GLU 36 8.842 -10.322 3.082 302 HA GLU 36 HA GLU 36 8.342 -12.631 1.492 303 1HB GLU 36 2HB GLU 36 9.850 -10.332 1.213 304 2HB GLU 36 1HB GLU 36 11.082 -11.579 1.406 305 1HG GLU 36 2HG GLU 36 9.233 -12.751 -0.310 306 2HG GLU 36 1HG GLU 36 9.300 -11.073 -0.853 307 H GLY 37 H GLY 37 8.274 -14.051 3.561 308 1HA GLY 37 2HA GLY 37 10.919 -15.303 3.796 309 2HA GLY 37 1HA GLY 37 10.099 -14.809 5.277 310 H LYS 38 H LYS 38 7.455 -15.510 4.756 311 HA LYS 38 HA LYS 38 7.423 -18.234 3.753 312 1HB LYS 38 2HB LYS 38 7.637 -17.603 6.631 313 2HB LYS 38 1HB LYS 38 6.382 -18.767 6.206 314 1HG LYS 38 2HG LYS 38 8.076 -20.069 4.918 315 2HG LYS 38 1HG LYS 38 9.318 -18.944 5.470 316 1HD LYS 38 2HD LYS 38 9.468 -20.691 7.035 317 2HD LYS 38 1HD LYS 38 8.444 -19.514 7.857 318 1HE LYS 38 2HE LYS 38 6.446 -20.758 6.873 319 2HE LYS 38 1HE LYS 38 7.580 -22.027 6.413 320 1HZ LYS 38 1HZ LYS 38 7.350 -21.038 9.141 321 2HZ LYS 38 2HZ LYS 38 8.107 -22.359 8.647 322 3HZ LYS 38 3HZ LYS 38 6.508 -22.292 8.609 323 H ASP 39 H ASP 39 5.332 -17.095 6.340 324 HA ASP 39 HA ASP 39 2.948 -17.759 5.264 325 1HB ASP 39 2HB ASP 39 3.554 -15.296 6.909 326 2HB ASP 39 1HB ASP 39 1.948 -15.988 6.678 327 H ARG 40 H ARG 40 3.037 -17.372 2.958 328 HA ARG 40 HA ARG 40 3.423 -15.233 1.465 329 1HB ARG 40 2HB ARG 40 0.790 -16.670 1.262 330 2HB ARG 40 1HB ARG 40 1.714 -15.925 -0.031 331 1HG ARG 40 2HG ARG 40 3.543 -17.682 1.068 332 2HG ARG 40 1HG ARG 40 2.026 -18.576 1.176 333 1HD ARG 40 2HD ARG 40 3.385 -17.473 -1.279 334 2HD ARG 40 1HD ARG 40 2.831 -19.120 -0.973 335 HE ARG 40 HE ARG 40 0.539 -17.633 -0.880 336 1HH1 ARG 40 1HH2 ARG 40 3.179 -18.020 -3.077 337 2HH1 ARG 40 2HH2 ARG 40 2.219 -17.710 -4.484 338 1HH2 ARG 40 1HH1 ARG 40 -0.718 -17.228 -2.709 339 2HH2 ARG 40 2HH1 ARG 40 0.017 -17.262 -4.277 340 H PHE 41 H PHE 41 0.900 -15.361 3.811 341 HA PHE 41 HA PHE 41 0.268 -12.565 3.108 342 1HB PHE 41 2HB PHE 41 -1.611 -14.843 3.671 343 2HB PHE 41 1HB PHE 41 -2.107 -13.164 3.924 344 HD1 PHE 41 HD1 PHE 41 -1.043 -11.577 1.925 345 HD2 PHE 41 HD2 PHE 41 -2.279 -15.680 1.595 346 HE1 PHE 41 HE1 PHE 41 -1.317 -11.301 -0.532 347 HE2 PHE 41 HE2 PHE 41 -2.564 -15.403 -0.852 348 HZ PHE 41 HZ PHE 41 -2.075 -13.221 -1.913 349 H THR 42 H THR 42 0.187 -11.154 4.782 350 HA THR 42 HA THR 42 0.194 -12.260 7.517 351 HB THR 42 HB THR 42 2.476 -11.342 6.257 352 HG1 THR 42 HG1 THR 42 3.232 -11.938 8.109 353 1HG2 THR 42 1HG2 THR 42 1.905 -9.142 8.193 354 2HG2 THR 42 2HG2 THR 42 1.255 -8.992 6.561 355 3HG2 THR 42 3HG2 THR 42 2.988 -9.169 6.803 356 H ILE 43 H ILE 43 -0.828 -9.798 5.320 357 HA ILE 43 HA ILE 43 -2.437 -8.645 7.498 358 HB ILE 43 HB ILE 43 -0.032 -7.458 6.621 359 1HG1 ILE 43 2HG1 ILE 43 -2.273 -6.676 8.459 360 2HG1 ILE 43 1HG1 ILE 43 -0.660 -7.265 8.872 361 1HG2 ILE 43 1HG2 ILE 43 -1.622 -6.466 4.796 362 2HG2 ILE 43 2HG2 ILE 43 -0.605 -5.357 5.698 363 3HG2 ILE 43 3HG2 ILE 43 -2.304 -5.538 6.124 364 1HD1 ILE 43 1HD1 ILE 43 -0.078 -5.088 9.106 365 2HD1 ILE 43 2HD1 ILE 43 -1.550 -4.542 8.300 366 3HD1 ILE 43 3HD1 ILE 43 -0.142 -5.007 7.341 367 H SER 44 H SER 44 -4.058 -7.183 6.804 368 HA SER 44 HA SER 44 -4.578 -6.711 4.049 369 1HB SER 44 2HB SER 44 -5.424 -8.836 3.718 370 2HB SER 44 1HB SER 44 -5.874 -9.031 5.409 371 HG SER 44 HG SER 44 -7.482 -8.468 3.499 372 H HIS 45 H HIS 45 -5.078 -4.573 4.553 373 HA HIS 45 HA HIS 45 -7.209 -4.180 6.571 374 1HB HIS 45 2HB HIS 45 -6.080 -1.688 5.781 375 2HB HIS 45 1HB HIS 45 -6.036 -2.441 7.370 376 HD1 HIS 45 HD1 HIS 45 -3.707 -2.656 8.196 377 HD2 HIS 45 HD2 HIS 45 -3.889 -3.039 4.060 378 HE1 HIS 45 HE1 HIS 45 -1.319 -2.934 7.396 379 H MET 46 H MET 46 -9.138 -3.770 5.710 380 HA MET 46 HA MET 46 -9.485 -3.284 2.917 381 1HB MET 46 2HB MET 46 -11.150 -3.890 5.175 382 2HB MET 46 1HB MET 46 -11.843 -2.540 4.281 383 1HG MET 46 2HG MET 46 -12.260 -3.811 2.426 384 2HG MET 46 1HG MET 46 -10.802 -4.780 2.639 385 1HE MET 46 1HE MET 46 -11.657 -6.872 5.719 386 2HE MET 46 2HE MET 46 -10.498 -5.779 4.967 387 3HE MET 46 3HE MET 46 -10.909 -7.297 4.173 388 H TYR 47 H TYR 47 -9.143 -1.419 1.955 389 HA TYR 47 HA TYR 47 -8.463 0.979 3.020 390 1HB TYR 47 2HB TYR 47 -9.913 0.296 0.472 391 2HB TYR 47 1HB TYR 47 -9.620 1.990 0.884 392 HD1 TYR 47 HD1 TYR 47 -8.303 1.158 -1.544 393 HD2 TYR 47 HD2 TYR 47 -6.978 0.449 2.501 394 HE1 TYR 47 HE1 TYR 47 -5.983 1.023 -2.309 395 HE2 TYR 47 HE2 TYR 47 -4.658 0.311 1.698 396 HH TYR 47 HH TYR 47 -3.320 1.089 -0.195 397 H ALA 48 H ALA 48 -11.908 -0.011 2.521 398 HA ALA 48 HA ALA 48 -12.925 2.438 3.649 399 1HB ALA 48 1HB ALA 48 -14.145 -0.316 3.292 400 2HB ALA 48 2HB ALA 48 -14.403 1.103 2.277 401 3HB ALA 48 3HB ALA 48 -15.039 1.068 3.922 402 H ASP 49 H ASP 49 -11.974 -0.647 4.809 403 HA ASP 49 HA ASP 49 -12.828 -0.458 7.534 404 1HB ASP 49 2HB ASP 49 -10.745 -2.152 6.146 405 2HB ASP 49 1HB ASP 49 -11.115 -2.300 7.863 406 H ILE 50 H ILE 50 -10.654 1.329 5.889 407 HA ILE 50 HA ILE 50 -9.229 2.024 8.361 408 HB ILE 50 HB ILE 50 -7.087 2.150 7.153 409 1HG1 ILE 50 2HG1 ILE 50 -8.671 0.981 4.850 410 2HG1 ILE 50 1HG1 ILE 50 -8.039 2.626 4.915 411 1HG2 ILE 50 1HG2 ILE 50 -6.693 -0.030 7.603 412 2HG2 ILE 50 2HG2 ILE 50 -7.808 -0.560 6.344 413 3HG2 ILE 50 3HG2 ILE 50 -8.418 -0.161 7.950 414 1HD1 ILE 50 1HD1 ILE 50 -5.763 1.313 5.437 415 2HD1 ILE 50 2HD1 ILE 50 -6.296 1.625 3.785 416 3HD1 ILE 50 3HD1 ILE 50 -6.586 0.049 4.522 417 H LYS 51 H LYS 51 -9.121 4.421 8.532 418 HA LYS 51 HA LYS 51 -9.524 5.725 5.917 419 1HB LYS 51 2HB LYS 51 -11.717 5.662 7.026 420 2HB LYS 51 1HB LYS 51 -11.019 6.477 8.426 421 1HG LYS 51 2HG LYS 51 -12.143 8.033 6.750 422 2HG LYS 51 1HG LYS 51 -10.467 8.421 7.154 423 1HD LYS 51 2HD LYS 51 -9.651 7.411 5.129 424 2HD LYS 51 1HD LYS 51 -11.252 6.770 4.742 425 1HE LYS 51 2HE LYS 51 -10.381 9.030 3.646 426 2HE LYS 51 1HE LYS 51 -12.075 8.835 4.093 427 1HZ LYS 51 1HZ LYS 51 -10.069 10.016 5.848 428 2HZ LYS 51 2HZ LYS 51 -11.650 9.980 6.090 429 3HZ LYS 51 3HZ LYS 51 -11.042 10.880 4.915 430 H CYS 52 H CYS 52 -7.656 6.639 5.747 431 HA CYS 52 HA CYS 52 -7.072 9.085 6.787 432 1HB CYS 52 2HB CYS 52 -6.173 6.878 8.450 433 2HB CYS 52 1HB CYS 52 -4.877 7.984 8.010 434 HG CYS 52 HG CYS 52 -7.415 9.379 9.049 435 H GLN 53 H GLN 53 -5.507 9.879 5.312 436 HA GLN 53 HA GLN 53 -3.827 7.788 4.079 437 1HB GLN 53 2HB GLN 53 -5.680 9.679 2.631 438 2HB GLN 53 1HB GLN 53 -4.380 8.797 1.828 439 1HG GLN 53 2HG GLN 53 -5.971 7.186 1.559 440 2HG GLN 53 1HG GLN 53 -5.566 6.782 3.226 441 1HE2 GLN 53 1HE2 GLN 53 -8.056 6.053 2.818 442 2HE2 GLN 53 2HE2 GLN 53 -9.200 7.194 3.335 443 H LYS 54 H LYS 54 -1.855 8.365 4.095 444 HA LYS 54 HA LYS 54 -1.106 11.212 3.817 445 1HB LYS 54 2HB LYS 54 -0.631 9.332 5.934 446 2HB LYS 54 1HB LYS 54 0.907 9.680 5.151 447 1HG LYS 54 2HG LYS 54 -1.022 11.841 6.013 448 2HG LYS 54 1HG LYS 54 0.257 11.228 7.061 449 1HD LYS 54 2HD LYS 54 0.682 12.436 4.310 450 2HD LYS 54 1HD LYS 54 0.985 13.259 5.840 451 1HE LYS 54 2HE LYS 54 2.448 11.094 6.322 452 2HE LYS 54 1HE LYS 54 2.502 11.020 4.560 453 1HZ LYS 54 1HZ LYS 54 4.105 12.500 4.770 454 2HZ LYS 54 2HZ LYS 54 3.771 12.842 6.297 455 3HZ LYS 54 3HZ LYS 54 2.983 13.587 5.120 456 H ILE 55 H ILE 55 -0.175 11.333 1.764 457 HA ILE 55 HA ILE 55 1.913 9.375 1.165 458 HB ILE 55 HB ILE 55 0.738 9.397 -1.265 459 1HG1 ILE 55 2HG1 ILE 55 -1.712 9.019 -0.909 460 2HG1 ILE 55 1HG1 ILE 55 -1.517 9.545 0.763 461 1HG2 ILE 55 1HG2 ILE 55 -0.321 7.187 -0.525 462 2HG2 ILE 55 2HG2 ILE 55 0.266 7.569 1.094 463 3HG2 ILE 55 3HG2 ILE 55 1.409 7.360 -0.232 464 1HD1 ILE 55 1HD1 ILE 55 -0.800 11.226 -1.656 465 2HD1 ILE 55 2HD1 ILE 55 -0.756 11.741 0.030 466 3HD1 ILE 55 3HD1 ILE 55 -2.300 11.380 -0.741 467 H SER 56 H SER 56 3.493 10.922 1.037 468 HA SER 56 HA SER 56 3.035 13.049 -0.961 469 1HB SER 56 2HB SER 56 3.251 14.112 1.171 470 2HB SER 56 1HB SER 56 4.619 13.093 1.611 471 HG SER 56 HG SER 56 4.797 15.413 0.573 472 HA PRO 57 HA PRO 57 7.040 10.543 -1.450 473 1HB PRO 57 2HB PRO 57 6.127 8.634 -3.390 474 2HB PRO 57 1HB PRO 57 6.815 8.378 -1.789 475 1HG PRO 57 2HG PRO 57 4.072 8.084 -2.595 476 2HG PRO 57 1HG PRO 57 4.794 7.681 -1.048 477 1HD PRO 57 2HD PRO 57 3.074 9.893 -1.640 478 2HD PRO 57 1HD PRO 57 3.887 9.538 -0.107 479 H GLU 58 H GLU 58 4.655 12.048 -3.292 480 HA GLU 58 HA GLU 58 5.658 12.025 -5.875 481 1HB GLU 58 2HB GLU 58 4.447 14.004 -6.199 482 2HB GLU 58 1HB GLU 58 3.648 13.321 -4.786 483 1HG GLU 58 2HG GLU 58 5.022 14.729 -3.306 484 2HG GLU 58 1HG GLU 58 5.838 15.414 -4.712 485 H GLY 59 H GLY 59 6.872 13.586 -2.967 486 1HA GLY 59 2HA GLY 59 9.383 14.118 -4.385 487 2HA GLY 59 1HA GLY 59 8.610 15.460 -3.541 488 H LYS 60 H LYS 60 8.611 12.082 -2.376 489 HA LYS 60 HA LYS 60 9.774 13.093 0.104 490 1HB LYS 60 2HB LYS 60 8.609 10.405 -0.660 491 2HB LYS 60 1HB LYS 60 9.341 10.738 0.910 492 1HG LYS 60 2HG LYS 60 7.438 12.808 0.134 493 2HG LYS 60 1HG LYS 60 6.691 11.214 0.249 494 1HD LYS 60 2HD LYS 60 6.690 11.405 2.487 495 2HD LYS 60 1HD LYS 60 8.453 11.455 2.458 496 1HE LYS 60 2HE LYS 60 7.106 13.979 1.700 497 2HE LYS 60 1HE LYS 60 6.909 13.495 3.384 498 1HZ LYS 60 1HZ LYS 60 9.251 13.365 3.576 499 2HZ LYS 60 2HZ LYS 60 8.898 14.808 2.983 500 3HZ LYS 60 3HZ LYS 60 9.481 13.670 2.022 501 H ALA 61 H ALA 61 10.575 9.826 -0.320 502 HA ALA 61 HA ALA 61 13.326 10.597 -1.069 503 1HB ALA 61 1HB ALA 61 13.611 10.075 1.171 504 2HB ALA 61 2HB ALA 61 13.825 8.481 0.447 505 3HB ALA 61 3HB ALA 61 12.281 8.917 1.177 506 H LYS 62 H LYS 62 10.930 7.917 -0.983 507 HA LYS 62 HA LYS 62 11.713 7.178 -3.623 508 1HB LYS 62 2HB LYS 62 12.230 4.728 -2.453 509 2HB LYS 62 1HB LYS 62 13.433 5.811 -3.143 510 1HG LYS 62 2HG LYS 62 13.809 6.856 -0.969 511 2HG LYS 62 1HG LYS 62 12.463 5.955 -0.260 512 1HD LYS 62 2HD LYS 62 13.712 4.084 0.010 513 2HD LYS 62 1HD LYS 62 14.471 4.252 -1.574 514 1HE LYS 62 2HE LYS 62 16.332 4.775 -0.372 515 2HE LYS 62 1HE LYS 62 15.579 6.363 -0.240 516 1HZ LYS 62 1HZ LYS 62 15.077 5.985 1.879 517 2HZ LYS 62 2HZ LYS 62 16.255 4.904 1.833 518 3HZ LYS 62 3HZ LYS 62 14.733 4.435 1.679 519 H ILE 63 H ILE 63 9.147 7.659 -2.131 520 HA ILE 63 HA ILE 63 7.119 6.936 -2.525 521 HB ILE 63 HB ILE 63 6.511 5.380 -3.891 522 1HG1 ILE 63 2HG1 ILE 63 6.599 3.495 -2.358 523 2HG1 ILE 63 1HG1 ILE 63 7.298 3.013 -3.880 524 1HG2 ILE 63 1HG2 ILE 63 9.017 6.183 -4.563 525 2HG2 ILE 63 2HG2 ILE 63 7.974 5.203 -5.587 526 3HG2 ILE 63 3HG2 ILE 63 9.209 4.428 -4.598 527 1HD1 ILE 63 1HD1 ILE 63 9.459 2.979 -3.020 528 2HD1 ILE 63 2HD1 ILE 63 8.497 2.421 -1.667 529 3HD1 ILE 63 3HD1 ILE 63 9.046 4.073 -1.699 530 H GLN 64 H GLN 64 6.875 7.412 -0.439 531 HA GLN 64 HA GLN 64 6.520 5.066 1.352 532 1HB GLN 64 2HB GLN 64 7.158 6.364 3.219 533 2HB GLN 64 1HB GLN 64 8.303 6.841 1.967 534 1HG GLN 64 2HG GLN 64 6.487 8.674 1.427 535 2HG GLN 64 1HG GLN 64 5.986 8.369 3.090 536 1HE2 GLN 64 1HE2 GLN 64 9.288 8.386 1.645 537 2HE2 GLN 64 2HE2 GLN 64 9.897 9.581 2.687 538 H LEU 65 H LEU 65 4.464 4.844 2.285 539 HA LEU 65 HA LEU 65 2.625 7.114 1.881 540 1HB LEU 65 2HB LEU 65 0.870 5.680 1.051 541 2HB LEU 65 1HB LEU 65 2.305 5.415 0.078 542 HG LEU 65 HG LEU 65 1.250 3.288 0.563 543 1HD1 LEU 65 1HD1 LEU 65 3.881 3.791 0.894 544 2HD1 LEU 65 2HD1 LEU 65 3.175 2.177 0.986 545 3HD1 LEU 65 3HD1 LEU 65 3.486 3.086 2.463 546 1HD2 LEU 65 1HD2 LEU 65 1.772 3.497 3.494 547 2HD2 LEU 65 2HD2 LEU 65 0.572 2.533 2.635 548 3HD2 LEU 65 3HD2 LEU 65 0.321 4.267 2.849 549 H GLN 66 H GLN 66 0.639 6.934 3.250 550 HA GLN 66 HA GLN 66 0.963 5.240 5.619 551 1HB GLN 66 2HB GLN 66 1.724 7.996 5.554 552 2HB GLN 66 1HB GLN 66 0.286 7.838 6.563 553 1HG GLN 66 2HG GLN 66 1.327 6.283 8.012 554 2HG GLN 66 1HG GLN 66 2.622 5.952 6.858 555 1HE2 GLN 66 1HE2 GLN 66 1.262 8.946 8.371 556 2HE2 GLN 66 2HE2 GLN 66 2.774 9.580 8.808 557 H LEU 67 H LEU 67 -0.947 4.701 6.505 558 HA LEU 67 HA LEU 67 -3.410 6.134 5.715 559 1HB LEU 67 2HB LEU 67 -2.588 3.739 4.532 560 2HB LEU 67 1HB LEU 67 -3.716 3.225 5.784 561 HG LEU 67 HG LEU 67 -4.441 5.512 3.977 562 1HD1 LEU 67 1HD1 LEU 67 -5.650 3.174 2.963 563 2HD1 LEU 67 2HD1 LEU 67 -3.938 2.789 3.140 564 3HD1 LEU 67 3HD1 LEU 67 -4.434 4.173 2.166 565 1HD2 LEU 67 1HD2 LEU 67 -5.663 4.344 6.134 566 2HD2 LEU 67 2HD2 LEU 67 -6.382 3.443 4.802 567 3HD2 LEU 67 3HD2 LEU 67 -6.527 5.198 4.855 568 H VAL 68 H VAL 68 -5.089 5.882 7.323 569 HA VAL 68 HA VAL 68 -4.157 4.367 9.670 570 HB VAL 68 HB VAL 68 -5.837 6.810 10.097 571 1HG1 VAL 68 1HG1 VAL 68 -3.910 5.148 11.717 572 2HG1 VAL 68 2HG1 VAL 68 -5.645 5.343 11.985 573 3HG1 VAL 68 3HG1 VAL 68 -4.549 6.690 12.276 574 1HG2 VAL 68 1HG2 VAL 68 -3.033 7.138 10.696 575 2HG2 VAL 68 2HG2 VAL 68 -4.094 8.203 9.770 576 3HG2 VAL 68 3HG2 VAL 68 -3.272 6.860 8.973 577 H LEU 69 H LEU 69 -5.726 3.642 11.026 578 HA LEU 69 HA LEU 69 -7.980 2.571 9.560 579 1HB LEU 69 2HB LEU 69 -6.930 2.100 12.364 580 2HB LEU 69 1HB LEU 69 -8.089 1.076 11.544 581 HG LEU 69 HG LEU 69 -5.285 0.806 11.529 582 1HD1 LEU 69 1HD1 LEU 69 -6.412 -1.152 11.182 583 2HD1 LEU 69 2HD1 LEU 69 -5.844 -0.804 9.543 584 3HD1 LEU 69 3HD1 LEU 69 -7.510 -0.429 10.005 585 1HD2 LEU 69 1HD2 LEU 69 -6.229 1.991 8.937 586 2HD2 LEU 69 2HD2 LEU 69 -4.883 0.854 8.986 587 3HD2 LEU 69 3HD2 LEU 69 -4.781 2.376 9.869 588 H HIS 70 H HIS 70 -10.192 2.993 10.164 589 HA HIS 70 HA HIS 70 -10.905 5.468 11.182 590 1HB HIS 70 2HB HIS 70 -13.028 4.209 12.017 591 2HB HIS 70 1HB HIS 70 -12.682 4.171 10.288 592 HD1 HIS 70 HD1 HIS 70 -12.217 2.042 13.403 593 HD2 HIS 70 HD2 HIS 70 -12.275 1.614 9.257 594 HE1 HIS 70 HE1 HIS 70 -12.117 -0.445 12.939 595 H ALA 71 H ALA 71 -9.953 2.554 12.690 596 HA ALA 71 HA ALA 71 -10.423 3.345 15.426 597 1HB ALA 71 1HB ALA 71 -10.079 0.933 14.370 598 2HB ALA 71 2HB ALA 71 -9.532 1.276 16.011 599 3HB ALA 71 3HB ALA 71 -8.378 1.283 14.678 600 H GLY 72 H GLY 72 -7.783 2.612 16.416 601 1HA GLY 72 2HA GLY 72 -6.363 5.085 15.682 602 2HA GLY 72 1HA GLY 72 -6.257 4.280 17.250 603 H ASP 73 H ASP 73 -5.988 3.208 13.961 604 HA ASP 73 HA ASP 73 -3.291 2.164 14.618 605 1HB ASP 73 2HB ASP 73 -5.616 0.747 13.363 606 2HB ASP 73 1HB ASP 73 -3.972 0.275 12.932 607 H THR 74 H THR 74 -1.771 2.642 13.180 608 HA THR 74 HA THR 74 -2.655 3.995 10.714 609 HB THR 74 HB THR 74 0.182 4.123 11.576 610 HG1 THR 74 HG1 THR 74 -1.639 5.841 12.817 611 1HG2 THR 74 1HG2 THR 74 -0.146 5.519 9.786 612 2HG2 THR 74 2HG2 THR 74 -0.596 6.646 11.066 613 3HG2 THR 74 3HG2 THR 74 -1.847 5.783 10.171 614 H THR 75 H THR 75 -1.233 3.573 8.769 615 HA THR 75 HA THR 75 0.060 0.956 8.910 616 HB THR 75 HB THR 75 -1.897 1.809 6.753 617 HG1 THR 75 HG1 THR 75 -2.877 -0.239 7.844 618 1HG2 THR 75 1HG2 THR 75 -0.257 0.335 5.841 619 2HG2 THR 75 2HG2 THR 75 -1.668 -0.668 6.182 620 3HG2 THR 75 3HG2 THR 75 -0.283 -0.692 7.275 621 H ASN 76 H ASN 76 2.132 1.766 8.480 622 HA ASN 76 HA ASN 76 2.332 3.734 6.285 623 1HB ASN 76 2HB ASN 76 4.393 3.038 8.395 624 2HB ASN 76 1HB ASN 76 4.457 4.377 7.249 625 1HD2 ASN 76 1HD2 ASN 76 4.609 5.738 9.314 626 2HD2 ASN 76 2HD2 ASN 76 3.164 6.159 10.099 627 H PHE 77 H PHE 77 3.774 3.249 4.558 628 HA PHE 77 HA PHE 77 5.196 0.713 4.779 629 1HB PHE 77 2HB PHE 77 2.666 0.954 3.461 630 2HB PHE 77 1HB PHE 77 3.916 0.612 2.275 631 HD1 PHE 77 HD1 PHE 77 5.818 -1.027 3.446 632 HD2 PHE 77 HD2 PHE 77 1.594 -1.023 4.203 633 HE1 PHE 77 HE1 PHE 77 5.947 -3.379 4.160 634 HE2 PHE 77 HE2 PHE 77 1.721 -3.380 4.898 635 HZ PHE 77 HZ PHE 77 3.925 -4.545 4.861 636 H HIS 78 H HIS 78 6.816 0.495 3.368 637 HA HIS 78 HA HIS 78 7.307 2.709 1.472 638 1HB HIS 78 2HB HIS 78 8.534 3.193 3.606 639 2HB HIS 78 1HB HIS 78 9.442 1.700 3.380 640 HD1 HIS 78 HD1 HIS 78 11.010 1.545 1.330 641 HD2 HIS 78 HD2 HIS 78 9.323 5.326 1.783 642 HE1 HIS 78 HE1 HIS 78 12.160 3.078 -0.287 643 H PHE 79 H PHE 79 9.032 2.236 -0.011 644 HA PHE 79 HA PHE 79 9.660 -0.617 -0.423 645 1HB PHE 79 2HB PHE 79 8.730 1.061 -2.726 646 2HB PHE 79 1HB PHE 79 8.845 -0.675 -2.609 647 HD1 PHE 79 HD1 PHE 79 7.040 2.029 -0.628 648 HD2 PHE 79 HD2 PHE 79 6.778 -1.694 -2.771 649 HE1 PHE 79 HE1 PHE 79 4.596 1.945 -0.224 650 HE2 PHE 79 HE2 PHE 79 4.356 -1.763 -2.336 651 HZ PHE 79 HZ PHE 79 3.273 0.039 -1.085 652 H SER 80 H SER 80 11.871 -0.801 -1.492 653 HA SER 80 HA SER 80 12.836 1.192 -3.103 654 1HB SER 80 2HB SER 80 13.335 2.789 -1.573 655 2HB SER 80 1HB SER 80 13.332 1.648 -0.225 656 HG SER 80 HG SER 80 15.436 2.508 -0.831 657 H ASN 81 H ASN 81 15.001 0.601 -3.792 658 HA ASN 81 HA ASN 81 16.183 -1.752 -2.533 659 1HB ASN 81 2HB ASN 81 14.613 -1.834 -4.998 660 2HB ASN 81 1HB ASN 81 16.248 -2.456 -5.213 661 1HD2 ASN 81 1HD2 ASN 81 14.594 -2.630 -2.099 662 2HD2 ASN 81 2HD2 ASN 81 14.388 -4.307 -2.102 663 H GLU 82 H GLU 82 18.265 -2.308 -3.958 664 HA GLU 82 HA GLU 82 19.947 -0.093 -3.950 665 1HB GLU 82 2HB GLU 82 21.402 -1.406 -5.474 666 2HB GLU 82 1HB GLU 82 20.784 -2.407 -4.160 667 1HG GLU 82 2HG GLU 82 18.842 -2.949 -5.826 668 2HG GLU 82 1HG GLU 82 19.972 -2.383 -7.056 669 H SER 83 H SER 83 17.799 -1.357 -6.437 670 HA SER 83 HA SER 83 17.838 1.253 -7.733 671 1HB SER 83 2HB SER 83 18.070 -0.948 -9.665 672 2HB SER 83 1HB SER 83 18.835 0.638 -9.667 673 HG SER 83 HG SER 83 20.477 -0.139 -8.536 674 H THR 84 H THR 84 15.931 -0.894 -6.329 675 HA THR 84 HA THR 84 14.002 -0.957 -8.566 676 HB THR 84 HB THR 84 14.792 -2.915 -6.609 677 HG1 THR 84 HG1 THR 84 13.392 -4.172 -7.968 678 1HG2 THR 84 1HG2 THR 84 12.751 -3.613 -5.640 679 2HG2 THR 84 2HG2 THR 84 11.801 -2.539 -6.667 680 3HG2 THR 84 3HG2 THR 84 12.788 -1.871 -5.367 681 H ALA 85 H ALA 85 14.670 1.291 -6.482 682 HA ALA 85 HA ALA 85 11.989 1.516 -5.284 683 1HB ALA 85 1HB ALA 85 14.477 2.273 -4.327 684 2HB ALA 85 2HB ALA 85 12.943 2.927 -3.754 685 3HB ALA 85 3HB ALA 85 13.860 3.784 -4.992 686 H VAL 86 H VAL 86 11.263 1.606 -7.608 687 HA VAL 86 HA VAL 86 10.999 4.394 -8.369 688 HB VAL 86 HB VAL 86 11.810 4.083 -10.647 689 1HG1 VAL 86 1HG1 VAL 86 14.162 3.936 -10.170 690 2HG1 VAL 86 2HG1 VAL 86 13.869 2.964 -8.728 691 3HG1 VAL 86 3HG1 VAL 86 13.399 4.664 -8.756 692 1HG2 VAL 86 1HG2 VAL 86 13.132 1.522 -10.256 693 2HG2 VAL 86 2HG2 VAL 86 12.071 2.037 -11.568 694 3HG2 VAL 86 3HG2 VAL 86 11.383 1.364 -10.090 695 H LYS 87 H LYS 87 10.258 3.191 -11.152 696 HA LYS 87 HA LYS 87 7.611 3.379 -11.209 697 1HB LYS 87 2HB LYS 87 9.551 1.713 -12.673 698 2HB LYS 87 1HB LYS 87 7.875 1.177 -12.790 699 1HG LYS 87 2HG LYS 87 7.280 2.951 -14.067 700 2HG LYS 87 1HG LYS 87 8.189 4.084 -13.065 701 1HD LYS 87 2HD LYS 87 10.298 3.263 -14.144 702 2HD LYS 87 1HD LYS 87 9.312 2.278 -15.226 703 1HE LYS 87 2HE LYS 87 9.781 4.310 -16.408 704 2HE LYS 87 1HE LYS 87 8.102 4.418 -15.881 705 1HZ LYS 87 1HZ LYS 87 10.259 6.043 -15.170 706 2HZ LYS 87 2HZ LYS 87 9.585 5.427 -13.857 707 3HZ LYS 87 3HZ LYS 87 8.699 6.269 -14.890 708 H GLU 88 H GLU 88 9.194 0.268 -10.272 709 HA GLU 88 HA GLU 88 6.928 -1.255 -9.949 710 1HB GLU 88 2HB GLU 88 8.300 -2.122 -7.822 711 2HB GLU 88 1HB GLU 88 8.851 -2.451 -9.454 712 1HG GLU 88 2HG GLU 88 9.802 0.136 -8.520 713 2HG GLU 88 1HG GLU 88 10.321 -1.181 -7.471 714 H ARG 89 H ARG 89 8.459 0.142 -7.116 715 HA ARG 89 HA ARG 89 6.168 0.080 -5.513 716 1HB ARG 89 2HB ARG 89 8.348 2.100 -5.111 717 2HB ARG 89 1HB ARG 89 7.473 1.147 -3.916 718 1HG ARG 89 2HG ARG 89 9.643 0.205 -5.810 719 2HG ARG 89 1HG ARG 89 9.672 0.177 -4.058 720 1HD ARG 89 2HD ARG 89 8.079 -1.581 -3.946 721 2HD ARG 89 1HD ARG 89 7.594 -1.363 -5.620 722 HE ARG 89 HE ARG 89 10.237 -2.002 -5.802 723 1HH1 ARG 89 1HH2 ARG 89 7.482 -3.320 -4.187 724 2HH1 ARG 89 2HH2 ARG 89 8.014 -4.958 -4.343 725 1HH2 ARG 89 1HH1 ARG 89 10.939 -4.142 -6.006 726 2HH2 ARG 89 2HH1 ARG 89 9.967 -5.424 -5.365 727 H ASP 90 H ASP 90 7.687 2.647 -7.316 728 HA ASP 90 HA ASP 90 5.900 4.736 -6.729 729 1HB ASP 90 2HB ASP 90 8.115 4.627 -8.219 730 2HB ASP 90 1HB ASP 90 6.933 4.492 -9.522 731 H ALA 91 H ALA 91 5.301 1.790 -8.368 732 HA ALA 91 HA ALA 91 3.058 2.896 -9.888 733 1HB ALA 91 1HB ALA 91 4.232 0.108 -9.733 734 2HB ALA 91 2HB ALA 91 4.461 1.268 -11.042 735 3HB ALA 91 3HB ALA 91 2.868 0.569 -10.751 736 H VAL 92 H VAL 92 3.782 0.763 -7.120 737 HA VAL 92 HA VAL 92 0.992 0.066 -6.769 738 HB VAL 92 HB VAL 92 1.890 -0.391 -4.329 739 1HG1 VAL 92 1HG1 VAL 92 2.780 -1.979 -6.755 740 2HG1 VAL 92 2HG1 VAL 92 1.231 -2.131 -5.925 741 3HG1 VAL 92 3HG1 VAL 92 2.720 -2.598 -5.104 742 1HG2 VAL 92 1HG2 VAL 92 4.032 0.864 -4.796 743 2HG2 VAL 92 2HG2 VAL 92 4.469 -0.436 -5.906 744 3HG2 VAL 92 3HG2 VAL 92 4.257 -0.774 -4.190 745 H LYS 93 H LYS 93 3.245 2.457 -5.494 746 HA LYS 93 HA LYS 93 1.358 3.697 -3.734 747 1HB LYS 93 2HB LYS 93 3.657 4.116 -3.299 748 2HB LYS 93 1HB LYS 93 3.983 4.542 -4.978 749 1HG LYS 93 2HG LYS 93 1.974 6.329 -4.169 750 2HG LYS 93 1HG LYS 93 3.076 6.234 -2.798 751 1HD LYS 93 2HD LYS 93 4.852 7.106 -3.975 752 2HD LYS 93 1HD LYS 93 4.282 6.463 -5.518 753 1HE LYS 93 2HE LYS 93 2.857 8.693 -4.050 754 2HE LYS 93 1HE LYS 93 4.110 8.991 -5.256 755 1HZ LYS 93 1HZ LYS 93 2.493 7.267 -6.466 756 2HZ LYS 93 2HZ LYS 93 2.430 8.854 -6.666 757 3HZ LYS 93 3HZ LYS 93 1.439 8.138 -5.633 758 H ASP 94 H ASP 94 2.483 4.285 -7.098 759 HA ASP 94 HA ASP 94 0.957 6.597 -7.605 760 1HB ASP 94 2HB ASP 94 2.616 5.987 -9.210 761 2HB ASP 94 1HB ASP 94 1.927 4.377 -9.411 762 H LEU 95 H LEU 95 -0.003 3.291 -7.202 763 HA LEU 95 HA LEU 95 -2.620 3.854 -8.430 764 1HB LEU 95 2HB LEU 95 -1.164 1.421 -7.516 765 2HB LEU 95 1HB LEU 95 -2.924 1.395 -7.382 766 HG LEU 95 HG LEU 95 -2.005 0.554 -9.597 767 1HD1 LEU 95 1HD1 LEU 95 -4.102 1.064 -10.236 768 2HD1 LEU 95 2HD1 LEU 95 -3.554 2.689 -10.651 769 3HD1 LEU 95 3HD1 LEU 95 -4.177 2.353 -9.035 770 1HD2 LEU 95 1HD2 LEU 95 -0.756 1.899 -10.953 771 2HD2 LEU 95 2HD2 LEU 95 -0.399 2.765 -9.460 772 3HD2 LEU 95 3HD2 LEU 95 -1.677 3.342 -10.529 773 H LEU 96 H LEU 96 -1.186 3.048 -5.256 774 HA LEU 96 HA LEU 96 -3.251 2.851 -3.537 775 1HB LEU 96 2HB LEU 96 -0.806 4.623 -3.279 776 2HB LEU 96 1HB LEU 96 -1.897 4.294 -1.945 777 HG LEU 96 HG LEU 96 0.033 2.453 -3.317 778 1HD1 LEU 96 1HD1 LEU 96 0.922 3.009 -1.300 779 2HD1 LEU 96 2HD1 LEU 96 -0.111 1.692 -0.741 780 3HD1 LEU 96 3HD1 LEU 96 -0.651 3.364 -0.583 781 1HD2 LEU 96 1HD2 LEU 96 -1.237 0.544 -2.161 782 2HD2 LEU 96 2HD2 LEU 96 -1.954 1.176 -3.643 783 3HD2 LEU 96 3HD2 LEU 96 -2.606 1.652 -2.078 784 H GLN 97 H GLN 97 -1.886 6.079 -4.136 785 HA GLN 97 HA GLN 97 -4.089 7.535 -3.125 786 1HB GLN 97 2HB GLN 97 -3.203 9.437 -4.188 787 2HB GLN 97 1HB GLN 97 -1.817 8.490 -3.677 788 1HG GLN 97 2HG GLN 97 -3.014 8.381 -6.464 789 2HG GLN 97 1HG GLN 97 -1.669 9.428 -6.028 790 1HE2 GLN 97 1HE2 GLN 97 -2.662 6.040 -6.173 791 2HE2 GLN 97 2HE2 GLN 97 -1.115 5.394 -6.109 792 H GLN 98 H GLN 98 -4.235 5.587 -5.743 793 HA GLN 98 HA GLN 98 -5.993 7.297 -7.301 794 1HB GLN 98 2HB GLN 98 -4.201 5.238 -7.989 795 2HB GLN 98 1HB GLN 98 -5.811 4.560 -8.236 796 1HG GLN 98 2HG GLN 98 -5.612 7.311 -9.199 797 2HG GLN 98 1HG GLN 98 -4.466 6.236 -10.002 798 1HE2 GLN 98 1HE2 GLN 98 -5.468 5.716 -11.968 799 2HE2 GLN 98 2HE2 GLN 98 -7.051 5.122 -12.110 800 H LEU 99 H LEU 99 -5.937 4.369 -5.333 801 HA LEU 99 HA LEU 99 -8.806 3.925 -5.707 802 1HB LEU 99 2HB LEU 99 -7.385 2.657 -3.426 803 2HB LEU 99 1HB LEU 99 -8.489 1.935 -4.585 804 HG LEU 99 HG LEU 99 -6.298 2.642 -6.141 805 1HD1 LEU 99 1HD1 LEU 99 -5.524 2.524 -3.400 806 2HD1 LEU 99 2HD1 LEU 99 -4.498 2.729 -4.824 807 3HD1 LEU 99 3HD1 LEU 99 -4.850 1.112 -4.220 808 1HD2 LEU 99 1HD2 LEU 99 -7.751 0.358 -5.454 809 2HD2 LEU 99 2HD2 LEU 99 -6.080 -0.038 -5.039 810 3HD2 LEU 99 3HD2 LEU 99 -6.488 0.459 -6.682 811 H LEU 100 H LEU 100 -6.660 5.451 -3.434 812 HA LEU 100 HA LEU 100 -8.041 5.638 -1.127 813 1HB LEU 100 2HB LEU 100 -6.110 6.839 -0.933 814 2HB LEU 100 1HB LEU 100 -6.157 7.366 -2.607 815 HG LEU 100 HG LEU 100 -8.206 8.854 -1.584 816 1HD1 LEU 100 1HD1 LEU 100 -7.534 7.813 0.693 817 2HD1 LEU 100 2HD1 LEU 100 -7.764 9.560 0.616 818 3HD1 LEU 100 3HD1 LEU 100 -6.136 8.883 0.597 819 1HD2 LEU 100 1HD2 LEU 100 -5.720 9.293 -2.663 820 2HD2 LEU 100 2HD2 LEU 100 -5.556 10.024 -1.066 821 3HD2 LEU 100 3HD2 LEU 100 -6.831 10.567 -2.157 822 HA PRO 101 HA PRO 101 -10.733 9.073 -3.206 823 1HB PRO 101 2HB PRO 101 -10.494 8.143 -6.012 824 2HB PRO 101 1HB PRO 101 -10.533 9.798 -5.387 825 1HG PRO 101 2HG PRO 101 -8.261 8.514 -6.279 826 2HG PRO 101 1HG PRO 101 -8.247 9.852 -5.119 827 1HD PRO 101 2HD PRO 101 -7.637 7.044 -4.661 828 2HD PRO 101 1HD PRO 101 -7.408 8.425 -3.575 829 H LYS 102 H LYS 102 -10.741 5.747 -3.422 830 HA LYS 102 HA LYS 102 -13.367 5.473 -4.668 831 1HB LYS 102 2HB LYS 102 -11.713 3.817 -5.219 832 2HB LYS 102 1HB LYS 102 -11.356 3.548 -3.512 833 1HG LYS 102 2HG LYS 102 -13.046 2.097 -3.275 834 2HG LYS 102 1HG LYS 102 -14.184 3.167 -4.101 835 1HD LYS 102 2HD LYS 102 -12.093 1.619 -5.630 836 2HD LYS 102 1HD LYS 102 -13.650 0.897 -5.223 837 1HE LYS 102 2HE LYS 102 -14.617 1.973 -6.945 838 2HE LYS 102 1HE LYS 102 -14.128 3.522 -6.258 839 1HZ LYS 102 1HZ LYS 102 -12.829 1.953 -8.281 840 2HZ LYS 102 2HZ LYS 102 -11.882 2.777 -7.289 841 3HZ LYS 102 3HZ LYS 102 -12.976 3.544 -8.170 842 H PHE 103 H PHE 103 -11.894 4.881 -1.484 843 HA PHE 103 HA PHE 103 -14.536 4.190 -0.449 844 1HB PHE 103 2HB PHE 103 -12.814 4.027 1.721 845 2HB PHE 103 1HB PHE 103 -13.254 2.691 0.661 846 HD1 PHE 103 HD1 PHE 103 -11.895 2.341 -1.460 847 HD2 PHE 103 HD2 PHE 103 -10.572 4.801 1.800 848 HE1 PHE 103 HE1 PHE 103 -9.593 2.248 -2.335 849 HE2 PHE 103 HE2 PHE 103 -8.249 4.699 0.933 850 HZ PHE 103 HZ PHE 103 -7.760 3.426 -1.141 851 H LYS 104 H LYS 104 -12.816 6.978 -0.865 852 HA LYS 104 HA LYS 104 -14.584 8.383 0.904 853 1HB LYS 104 2HB LYS 104 -12.556 9.562 2.038 854 2HB LYS 104 1HB LYS 104 -13.111 8.021 2.667 855 1HG LYS 104 2HG LYS 104 -10.832 7.614 2.522 856 2HG LYS 104 1HG LYS 104 -11.377 7.009 0.966 857 1HD LYS 104 2HD LYS 104 -9.307 8.620 1.096 858 2HD LYS 104 1HD LYS 104 -10.470 8.809 -0.204 859 1HE LYS 104 2HE LYS 104 -11.505 10.677 0.870 860 2HE LYS 104 1HE LYS 104 -10.670 10.354 2.388 861 1HZ LYS 104 1HZ LYS 104 -9.777 12.112 0.770 862 2HZ LYS 104 2HZ LYS 104 -9.107 10.867 0.021 863 3HZ LYS 104 3HZ LYS 104 -8.747 11.168 1.550 864 H ARG 105 H ARG 105 -15.097 10.212 -0.202 865 HA ARG 105 HA ARG 105 -12.979 11.572 -1.700 866 1HB ARG 105 2HB ARG 105 -15.014 11.742 -3.511 867 2HB ARG 105 1HB ARG 105 -13.696 10.578 -3.619 868 1HG ARG 105 2HG ARG 105 -15.139 9.008 -2.215 869 2HG ARG 105 1HG ARG 105 -16.469 10.133 -2.489 870 1HD ARG 105 2HD ARG 105 -15.034 9.467 -4.951 871 2HD ARG 105 1HD ARG 105 -15.746 8.053 -4.176 872 HE ARG 105 HE ARG 105 -17.751 9.913 -4.116 873 1HH1 ARG 105 1HH2 ARG 105 -15.647 8.574 -6.510 874 2HH1 ARG 105 2HH2 ARG 105 -16.797 8.736 -7.794 875 1HH2 ARG 105 1HH1 ARG 105 -19.254 10.127 -5.785 876 2HH2 ARG 105 2HH1 ARG 105 -18.835 9.614 -7.385 877 H LYS 106 H LYS 106 -16.534 11.851 -1.782 878 HA LYS 106 HA LYS 106 -16.516 14.645 -1.527 879 1HB LYS 106 2HB LYS 106 -18.901 14.422 -1.003 880 2HB LYS 106 1HB LYS 106 -18.466 13.324 -2.313 881 1HG LYS 106 2HG LYS 106 -18.146 11.523 -0.552 882 2HG LYS 106 1HG LYS 106 -18.880 12.634 0.605 883 1HD LYS 106 2HD LYS 106 -20.168 11.634 -1.953 884 2HD LYS 106 1HD LYS 106 -20.580 11.115 -0.318 885 1HE LYS 106 2HE LYS 106 -21.152 13.493 0.233 886 2HE LYS 106 1HE LYS 106 -20.885 13.906 -1.461 887 1HZ LYS 106 1HZ LYS 106 -23.072 13.431 -1.474 888 2HZ LYS 106 2HZ LYS 106 -23.006 12.353 -0.294 889 3HZ LYS 106 3HZ LYS 106 -22.529 11.954 -1.768 890 H ALA 107 H ALA 107 -17.601 15.770 0.441 891 HA ALA 107 HA ALA 107 -16.098 14.921 2.808 892 1HB ALA 107 1HB ALA 107 -16.060 17.120 3.364 893 2HB ALA 107 2HB ALA 107 -17.772 17.333 2.996 894 3HB ALA 107 3HB ALA 107 -16.577 17.394 1.700 895 H ASN 108 H ASN 108 -17.185 14.732 4.885 896 HA ASN 108 HA ASN 108 -19.701 13.369 4.676 897 1HB ASN 108 2HB ASN 108 -17.879 12.883 6.373 898 2HB ASN 108 1HB ASN 108 -18.350 14.373 7.192 899 1HD2 ASN 108 1HD2 ASN 108 -20.311 11.760 5.650 900 2HD2 ASN 108 2HD2 ASN 108 -21.261 11.464 7.025 Start of MODEL 15 1 1H MET 1 1H MET 1 -20.744 -12.300 -1.837 2 2H MET 1 2H MET 1 -20.136 -12.753 -0.428 3 3H MET 1 3H MET 1 -21.715 -12.822 -0.676 4 HA MET 1 HA MET 1 -19.820 -14.390 -2.232 5 1HB MET 1 2HB MET 1 -21.117 -14.917 0.419 6 2HB MET 1 1HB MET 1 -20.905 -16.262 -0.702 7 1HG MET 1 2HG MET 1 -18.484 -15.666 -0.889 8 2HG MET 1 1HG MET 1 -18.729 -14.428 0.343 9 1HE MET 1 1HE MET 1 -20.929 -16.016 2.333 10 2HE MET 1 2HE MET 1 -19.710 -14.754 2.497 11 3HE MET 1 3HE MET 1 -19.616 -16.196 3.505 12 H ALA 2 H ALA 2 -22.216 -12.823 -2.995 13 HA ALA 2 HA ALA 2 -24.063 -15.046 -3.622 14 1HB ALA 2 1HB ALA 2 -24.877 -12.248 -4.164 15 2HB ALA 2 2HB ALA 2 -24.671 -12.667 -2.463 16 3HB ALA 2 3HB ALA 2 -25.803 -13.576 -3.465 17 H THR 3 H THR 3 -22.748 -12.043 -5.079 18 HA THR 3 HA THR 3 -23.358 -13.015 -7.733 19 HB THR 3 HB THR 3 -21.818 -10.608 -6.726 20 HG1 THR 3 HG1 THR 3 -24.021 -10.482 -6.382 21 1HG2 THR 3 1HG2 THR 3 -22.739 -10.448 -9.463 22 2HG2 THR 3 2HG2 THR 3 -21.661 -11.828 -9.258 23 3HG2 THR 3 3HG2 THR 3 -21.113 -10.209 -8.824 24 H SER 4 H SER 4 -20.225 -11.611 -6.954 25 HA SER 4 HA SER 4 -18.921 -14.195 -7.440 26 1HB SER 4 2HB SER 4 -18.043 -11.777 -9.002 27 2HB SER 4 1HB SER 4 -17.687 -13.475 -9.306 28 HG SER 4 HG SER 4 -19.377 -13.457 -10.541 29 H SER 5 H SER 5 -16.406 -13.757 -7.264 30 HA SER 5 HA SER 5 -16.046 -12.373 -4.738 31 1HB SER 5 2HB SER 5 -13.568 -13.226 -5.885 32 2HB SER 5 1HB SER 5 -14.427 -13.910 -4.508 33 HG SER 5 HG SER 5 -14.572 -15.549 -5.854 34 H GLU 6 H GLU 6 -13.445 -11.377 -5.016 35 HA GLU 6 HA GLU 6 -13.829 -9.232 -7.014 36 1HB GLU 6 2HB GLU 6 -12.235 -8.973 -4.464 37 2HB GLU 6 1HB GLU 6 -12.813 -7.688 -5.522 38 1HG GLU 6 2HG GLU 6 -14.326 -7.649 -3.706 39 2HG GLU 6 1HG GLU 6 -15.179 -8.546 -4.963 40 H GLU 7 H GLU 7 -11.646 -8.358 -7.816 41 HA GLU 7 HA GLU 7 -9.626 -10.511 -7.776 42 1HB GLU 7 2HB GLU 7 -9.894 -8.484 -9.989 43 2HB GLU 7 1HB GLU 7 -9.167 -10.090 -10.042 44 1HG GLU 7 2HG GLU 7 -11.643 -10.854 -9.449 45 2HG GLU 7 1HG GLU 7 -12.051 -9.309 -10.196 46 H VAL 8 H VAL 8 -7.289 -9.485 -7.953 47 HA VAL 8 HA VAL 8 -7.368 -7.056 -6.363 48 HB VAL 8 HB VAL 8 -5.132 -7.626 -5.749 49 1HG1 VAL 8 1HG1 VAL 8 -7.218 -9.201 -5.141 50 2HG1 VAL 8 2HG1 VAL 8 -5.585 -9.556 -4.577 51 3HG1 VAL 8 3HG1 VAL 8 -6.230 -10.388 -5.993 52 1HG2 VAL 8 1HG2 VAL 8 -3.746 -8.479 -7.308 53 2HG2 VAL 8 2HG2 VAL 8 -5.112 -8.813 -8.373 54 3HG2 VAL 8 3HG2 VAL 8 -4.602 -10.017 -7.189 55 H LEU 9 H LEU 9 -5.983 -5.360 -6.839 56 HA LEU 9 HA LEU 9 -5.812 -4.857 -9.736 57 1HB LEU 9 2HB LEU 9 -7.033 -3.208 -8.471 58 2HB LEU 9 1HB LEU 9 -5.671 -2.982 -7.372 59 HG LEU 9 HG LEU 9 -4.289 -2.259 -9.347 60 1HD1 LEU 9 1HD1 LEU 9 -5.756 -3.405 -11.038 61 2HD1 LEU 9 2HD1 LEU 9 -5.406 -1.721 -11.431 62 3HD1 LEU 9 3HD1 LEU 9 -6.974 -2.162 -10.753 63 1HD2 LEU 9 1HD2 LEU 9 -6.475 -0.847 -8.047 64 2HD2 LEU 9 2HD2 LEU 9 -6.174 -0.202 -9.661 65 3HD2 LEU 9 3HD2 LEU 9 -4.869 -0.258 -8.477 66 H LEU 10 H LEU 10 -3.542 -4.507 -6.868 67 HA LEU 10 HA LEU 10 -1.414 -5.074 -8.760 68 1HB LEU 10 2HB LEU 10 -1.577 -2.761 -9.275 69 2HB LEU 10 1HB LEU 10 -1.768 -2.318 -7.580 70 HG LEU 10 HG LEU 10 0.680 -3.834 -8.029 71 1HD1 LEU 10 1HD1 LEU 10 -0.007 -1.682 -9.913 72 2HD1 LEU 10 2HD1 LEU 10 1.255 -2.909 -10.019 73 3HD1 LEU 10 3HD1 LEU 10 1.532 -1.437 -9.088 74 1HD2 LEU 10 1HD2 LEU 10 1.396 -1.362 -7.117 75 2HD2 LEU 10 2HD2 LEU 10 0.815 -2.659 -6.074 76 3HD2 LEU 10 3HD2 LEU 10 -0.299 -1.412 -6.634 77 H ILE 11 H ILE 11 0.436 -5.796 -7.706 78 HA ILE 11 HA ILE 11 0.506 -5.450 -4.787 79 HB ILE 11 HB ILE 11 -0.496 -7.562 -4.853 80 1HG1 ILE 11 2HG1 ILE 11 1.920 -7.431 -3.807 81 2HG1 ILE 11 1HG1 ILE 11 1.134 -8.989 -3.968 82 1HG2 ILE 11 1HG2 ILE 11 0.224 -9.313 -6.526 83 2HG2 ILE 11 2HG2 ILE 11 1.207 -8.072 -7.305 84 3HG2 ILE 11 3HG2 ILE 11 -0.547 -7.895 -7.240 85 1HD1 ILE 11 1HD1 ILE 11 2.626 -8.224 -6.369 86 2HD1 ILE 11 2HD1 ILE 11 2.668 -9.731 -5.457 87 3HD1 ILE 11 3HD1 ILE 11 3.644 -8.359 -4.937 88 H VAL 12 H VAL 12 2.590 -5.252 -4.011 89 HA VAL 12 HA VAL 12 4.714 -5.567 -6.036 90 HB VAL 12 HB VAL 12 5.962 -4.044 -4.264 91 1HG1 VAL 12 1HG1 VAL 12 5.608 -2.268 -5.722 92 2HG1 VAL 12 2HG1 VAL 12 3.891 -2.627 -5.906 93 3HG1 VAL 12 3HG1 VAL 12 5.093 -3.625 -6.724 94 1HG2 VAL 12 1HG2 VAL 12 4.644 -2.742 -2.898 95 2HG2 VAL 12 2HG2 VAL 12 3.679 -4.217 -2.895 96 3HG2 VAL 12 3HG2 VAL 12 3.234 -2.870 -3.945 97 H LYS 13 H LYS 13 5.589 -7.498 -5.710 98 HA LYS 13 HA LYS 13 5.578 -9.017 -3.369 99 1HB LYS 13 2HB LYS 13 6.959 -10.485 -4.549 100 2HB LYS 13 1HB LYS 13 6.184 -9.584 -5.845 101 1HG LYS 13 2HG LYS 13 8.379 -8.013 -5.258 102 2HG LYS 13 1HG LYS 13 9.007 -9.651 -5.072 103 1HD LYS 13 2HD LYS 13 7.650 -8.461 -7.501 104 2HD LYS 13 1HD LYS 13 9.306 -9.057 -7.379 105 1HE LYS 13 2HE LYS 13 8.563 -11.069 -8.063 106 2HE LYS 13 1HE LYS 13 7.672 -11.196 -6.546 107 1HZ LYS 13 1HZ LYS 13 6.664 -10.811 -9.103 108 2HZ LYS 13 2HZ LYS 13 6.233 -9.568 -8.193 109 3HZ LYS 13 3HZ LYS 13 5.855 -11.057 -7.743 110 H LYS 14 H LYS 14 7.395 -6.335 -4.226 111 HA LYS 14 HA LYS 14 9.233 -6.861 -1.973 112 1HB LYS 14 2HB LYS 14 9.725 -5.998 -4.691 113 2HB LYS 14 1HB LYS 14 10.322 -4.811 -3.532 114 1HG LYS 14 2HG LYS 14 11.964 -6.670 -4.131 115 2HG LYS 14 1HG LYS 14 11.664 -6.452 -2.406 116 1HD LYS 14 2HD LYS 14 10.337 -8.376 -2.259 117 2HD LYS 14 1HD LYS 14 9.990 -8.386 -3.989 118 1HE LYS 14 2HE LYS 14 12.754 -8.593 -3.901 119 2HE LYS 14 1HE LYS 14 12.234 -9.581 -2.537 120 1HZ LYS 14 1HZ LYS 14 11.702 -9.946 -5.338 121 2HZ LYS 14 2HZ LYS 14 10.566 -10.410 -4.311 122 3HZ LYS 14 3HZ LYS 14 12.033 -11.042 -4.218 123 H VAL 15 H VAL 15 8.965 -5.553 -0.281 124 HA VAL 15 HA VAL 15 8.415 -2.777 -0.742 125 HB VAL 15 HB VAL 15 6.227 -4.484 0.346 126 1HG1 VAL 15 1HG1 VAL 15 5.326 -2.691 1.683 127 2HG1 VAL 15 2HG1 VAL 15 6.597 -1.588 1.165 128 3HG1 VAL 15 3HG1 VAL 15 6.982 -2.935 2.235 129 1HG2 VAL 15 1HG2 VAL 15 5.097 -2.350 -0.736 130 2HG2 VAL 15 2HG2 VAL 15 5.745 -3.645 -1.743 131 3HG2 VAL 15 3HG2 VAL 15 6.684 -2.174 -1.487 132 H ARG 16 H ARG 16 8.962 -1.511 1.031 133 HA ARG 16 HA ARG 16 10.302 -3.030 3.192 134 1HB ARG 16 2HB ARG 16 12.052 -2.051 1.912 135 2HB ARG 16 1HB ARG 16 11.140 -0.577 1.636 136 1HG ARG 16 2HG ARG 16 11.750 0.328 3.634 137 2HG ARG 16 1HG ARG 16 11.613 -1.212 4.481 138 1HD ARG 16 2HD ARG 16 13.934 -0.183 2.845 139 2HD ARG 16 1HD ARG 16 13.932 -0.708 4.528 140 HE ARG 16 HE ARG 16 13.155 -2.934 3.136 141 1HH1 ARG 16 1HH2 ARG 16 15.767 -0.675 3.002 142 2HH1 ARG 16 2HH2 ARG 16 16.905 -1.834 2.401 143 1HH2 ARG 16 1HH1 ARG 16 14.632 -4.449 2.354 144 2HH2 ARG 16 2HH1 ARG 16 16.264 -3.967 2.035 145 H GLN 17 H GLN 17 10.053 -2.194 5.218 146 HA GLN 17 HA GLN 17 8.563 0.277 5.544 147 1HB GLN 17 2HB GLN 17 6.921 -0.965 7.078 148 2HB GLN 17 1HB GLN 17 6.707 -1.217 5.357 149 1HG GLN 17 2HG GLN 17 7.871 -3.322 5.434 150 2HG GLN 17 1HG GLN 17 8.244 -3.078 7.129 151 1HE2 GLN 17 1HE2 GLN 17 5.113 -1.901 6.343 152 2HE2 GLN 17 2HE2 GLN 17 4.229 -3.232 6.910 153 H LYS 18 H LYS 18 9.461 1.274 7.290 154 HA LYS 18 HA LYS 18 11.772 0.679 8.417 155 1HB LYS 18 2HB LYS 18 9.733 2.454 9.059 156 2HB LYS 18 1HB LYS 18 10.019 1.576 10.563 157 1HG LYS 18 2HG LYS 18 11.899 2.762 10.899 158 2HG LYS 18 1HG LYS 18 12.558 2.142 9.385 159 1HD LYS 18 2HD LYS 18 10.569 4.170 8.846 160 2HD LYS 18 1HD LYS 18 11.798 4.800 9.943 161 1HE LYS 18 2HE LYS 18 12.243 3.535 7.227 162 2HE LYS 18 1HE LYS 18 12.578 5.202 7.698 163 1HZ LYS 18 1HZ LYS 18 14.052 2.817 8.321 164 2HZ LYS 18 2HZ LYS 18 14.022 3.961 9.440 165 3HZ LYS 18 3HZ LYS 18 14.594 4.285 7.981 166 H LYS 19 H LYS 19 8.844 -1.092 9.208 167 HA LYS 19 HA LYS 19 10.025 -2.276 11.552 168 1HB LYS 19 2HB LYS 19 8.044 -3.664 11.614 169 2HB LYS 19 1HB LYS 19 7.540 -2.028 11.213 170 1HG LYS 19 2HG LYS 19 7.484 -2.694 8.776 171 2HG LYS 19 1HG LYS 19 7.853 -4.352 9.256 172 1HD LYS 19 2HD LYS 19 5.393 -3.839 8.908 173 2HD LYS 19 1HD LYS 19 5.805 -4.555 10.466 174 1HE LYS 19 2HE LYS 19 5.723 -2.397 11.558 175 2HE LYS 19 1HE LYS 19 5.533 -1.571 10.011 176 1HZ LYS 19 1HZ LYS 19 3.607 -3.592 10.672 177 2HZ LYS 19 2HZ LYS 19 3.402 -2.216 9.881 178 3HZ LYS 19 3HZ LYS 19 3.502 -2.213 11.478 179 H GLN 20 H GLN 20 9.238 -3.474 8.301 180 HA GLN 20 HA GLN 20 11.501 -5.292 8.355 181 1HB GLN 20 2HB GLN 20 9.127 -6.225 9.275 182 2HB GLN 20 1HB GLN 20 8.936 -6.503 7.543 183 1HG GLN 20 2HG GLN 20 11.565 -7.292 8.158 184 2HG GLN 20 1HG GLN 20 10.545 -7.965 9.432 185 1HE2 GLN 20 1HE2 GLN 20 8.523 -9.174 8.607 186 2HE2 GLN 20 2HE2 GLN 20 8.672 -10.046 7.159 187 H ASP 21 H ASP 21 11.640 -6.427 6.144 188 HA ASP 21 HA ASP 21 10.558 -4.588 4.092 189 1HB ASP 21 2HB ASP 21 12.709 -6.690 3.665 190 2HB ASP 21 1HB ASP 21 12.356 -5.282 2.654 191 H GLY 22 H GLY 22 8.978 -5.511 2.897 192 1HA GLY 22 2HA GLY 22 8.714 -8.379 2.702 193 2HA GLY 22 1HA GLY 22 7.542 -7.640 3.763 194 H ALA 23 H ALA 23 6.839 -9.004 1.484 195 HA ALA 23 HA ALA 23 6.340 -7.222 -0.664 196 1HB ALA 23 1HB ALA 23 4.642 -9.536 -0.701 197 2HB ALA 23 2HB ALA 23 6.256 -10.000 -0.163 198 3HB ALA 23 3HB ALA 23 6.041 -9.185 -1.703 199 H LEU 24 H LEU 24 4.873 -5.959 -0.915 200 HA LEU 24 HA LEU 24 2.461 -5.908 0.805 201 1HB LEU 24 2HB LEU 24 4.261 -3.949 -0.272 202 2HB LEU 24 1HB LEU 24 2.636 -3.567 -0.810 203 HG LEU 24 HG LEU 24 3.693 -3.827 1.995 204 1HD1 LEU 24 1HD1 LEU 24 2.781 -1.710 0.162 205 2HD1 LEU 24 2HD1 LEU 24 3.824 -1.592 1.575 206 3HD1 LEU 24 3HD1 LEU 24 2.071 -1.601 1.770 207 1HD2 LEU 24 1HD2 LEU 24 0.899 -4.144 0.959 208 2HD2 LEU 24 2HD2 LEU 24 1.142 -3.263 2.469 209 3HD2 LEU 24 3HD2 LEU 24 1.682 -4.936 2.328 210 H TYR 25 H TYR 25 0.431 -6.013 -0.036 211 HA TYR 25 HA TYR 25 0.151 -6.506 -2.948 212 1HB TYR 25 2HB TYR 25 -0.925 -7.779 -0.479 213 2HB TYR 25 1HB TYR 25 -2.049 -7.605 -1.819 214 HD1 TYR 25 HD1 TYR 25 1.260 -9.002 -0.849 215 HD2 TYR 25 HD2 TYR 25 -1.946 -9.009 -3.696 216 HE1 TYR 25 HE1 TYR 25 2.213 -11.035 -1.897 217 HE2 TYR 25 HE2 TYR 25 -0.999 -11.051 -4.761 218 HH TYR 25 HH TYR 25 0.740 -12.453 -4.819 219 H LEU 26 H LEU 26 -1.495 -5.230 -4.004 220 HA LEU 26 HA LEU 26 -3.087 -3.568 -2.158 221 1HB LEU 26 2HB LEU 26 -1.514 -2.298 -3.689 222 2HB LEU 26 1HB LEU 26 -2.418 -2.954 -5.053 223 HG LEU 26 HG LEU 26 -3.949 -1.633 -2.853 224 1HD1 LEU 26 1HD1 LEU 26 -1.965 -0.330 -4.600 225 2HD1 LEU 26 2HD1 LEU 26 -2.711 0.254 -3.112 226 3HD1 LEU 26 3HD1 LEU 26 -3.567 0.405 -4.646 227 1HD2 LEU 26 1HD2 LEU 26 -4.504 -1.116 -5.707 228 2HD2 LEU 26 2HD2 LEU 26 -5.604 -1.605 -4.418 229 3HD2 LEU 26 3HD2 LEU 26 -4.615 -2.813 -5.238 230 H MET 27 H MET 27 -5.249 -3.865 -2.319 231 HA MET 27 HA MET 27 -6.211 -5.527 -4.563 232 1HB MET 27 2HB MET 27 -6.258 -6.851 -2.528 233 2HB MET 27 1HB MET 27 -7.046 -5.542 -1.648 234 1HG MET 27 2HG MET 27 -9.091 -6.077 -2.460 235 2HG MET 27 1HG MET 27 -8.473 -6.330 -4.090 236 1HE MET 27 1HE MET 27 -8.006 -9.069 -0.545 237 2HE MET 27 2HE MET 27 -7.452 -7.416 -0.797 238 3HE MET 27 3HE MET 27 -6.488 -8.762 -1.400 239 H ALA 28 H ALA 28 -8.313 -4.986 -5.319 240 HA ALA 28 HA ALA 28 -8.932 -2.429 -5.805 241 1HB ALA 28 1HB ALA 28 -10.272 -4.866 -6.055 242 2HB ALA 28 2HB ALA 28 -10.795 -3.313 -6.710 243 3HB ALA 28 3HB ALA 28 -11.384 -3.848 -5.137 244 H GLU 29 H GLU 29 -10.116 -4.137 -2.830 245 HA GLU 29 HA GLU 29 -10.871 -1.460 -1.875 246 1HB GLU 29 2HB GLU 29 -12.718 -2.989 -1.949 247 2HB GLU 29 1HB GLU 29 -11.784 -4.242 -1.135 248 1HG GLU 29 2HG GLU 29 -12.272 -3.406 0.907 249 2HG GLU 29 1HG GLU 29 -11.889 -1.758 0.418 250 H ARG 30 H ARG 30 -8.238 -3.607 -1.410 251 HA ARG 30 HA ARG 30 -7.725 -2.198 1.084 252 1HB ARG 30 2HB ARG 30 -7.772 -3.979 2.557 253 2HB ARG 30 1HB ARG 30 -9.176 -4.291 1.547 254 1HG ARG 30 2HG ARG 30 -6.982 -5.517 0.251 255 2HG ARG 30 1HG ARG 30 -6.840 -5.920 1.963 256 1HD ARG 30 2HD ARG 30 -8.243 -7.600 0.933 257 2HD ARG 30 1HD ARG 30 -9.279 -6.573 1.919 258 HE ARG 30 HE ARG 30 -9.302 -5.410 -0.581 259 1HH1 ARG 30 1HH2 ARG 30 -9.919 -8.536 0.762 260 2HH1 ARG 30 2HH2 ARG 30 -11.133 -8.940 -0.404 261 1HH2 ARG 30 1HH1 ARG 30 -10.898 -5.927 -2.100 262 2HH2 ARG 30 2HH1 ARG 30 -11.685 -7.468 -2.021 263 H ILE 31 H ILE 31 -5.694 -2.725 2.065 264 HA ILE 31 HA ILE 31 -3.681 -3.471 0.018 265 HB ILE 31 HB ILE 31 -3.715 -1.527 2.314 266 1HG1 ILE 31 2HG1 ILE 31 -4.062 -0.956 -0.154 267 2HG1 ILE 31 1HG1 ILE 31 -2.805 -0.041 0.679 268 1HG2 ILE 31 1HG2 ILE 31 -1.776 -2.655 3.000 269 2HG2 ILE 31 2HG2 ILE 31 -1.126 -1.446 1.893 270 3HG2 ILE 31 3HG2 ILE 31 -1.340 -3.112 1.353 271 1HD1 ILE 31 1HD1 ILE 31 -1.229 -0.824 -0.724 272 2HD1 ILE 31 2HD1 ILE 31 -2.512 -1.582 -1.666 273 3HD1 ILE 31 3HD1 ILE 31 -1.701 -2.490 -0.390 274 H ALA 32 H ALA 32 -2.178 -5.107 0.552 275 HA ALA 32 HA ALA 32 -2.582 -6.371 3.187 276 1HB ALA 32 1HB ALA 32 -2.675 -7.574 0.452 277 2HB ALA 32 2HB ALA 32 -3.737 -7.859 1.830 278 3HB ALA 32 3HB ALA 32 -2.114 -8.548 1.810 279 H TRP 33 H TRP 33 -0.839 -7.552 3.989 280 HA TRP 33 HA TRP 33 1.734 -6.929 2.635 281 1HB TRP 33 2HB TRP 33 1.354 -5.602 4.748 282 2HB TRP 33 1HB TRP 33 1.427 -7.123 5.618 283 HD1 TRP 33 HD1 TRP 33 3.525 -5.998 2.628 284 HE1 TRP 33 HE1 TRP 33 5.982 -6.079 3.348 285 HE3 TRP 33 HE3 TRP 33 3.092 -7.484 7.496 286 HZ2 TRP 33 HZ2 TRP 33 7.577 -6.691 5.521 287 HZ3 TRP 33 HZ3 TRP 33 5.125 -7.869 8.843 288 HH2 TRP 33 HH2 TRP 33 7.379 -7.494 7.863 289 H ALA 34 H ALA 34 3.182 -8.576 2.485 290 HA ALA 34 HA ALA 34 2.746 -11.012 3.990 291 1HB ALA 34 1HB ALA 34 1.255 -11.417 2.196 292 2HB ALA 34 2HB ALA 34 2.697 -12.386 1.903 293 3HB ALA 34 3HB ALA 34 2.445 -10.887 1.006 294 HA PRO 35 HA PRO 35 7.023 -11.246 2.868 295 1HB PRO 35 2HB PRO 35 7.528 -13.452 4.606 296 2HB PRO 35 1HB PRO 35 7.741 -11.733 4.967 297 1HG PRO 35 2HG PRO 35 5.712 -13.526 5.977 298 2HG PRO 35 1HG PRO 35 5.974 -11.826 6.389 299 1HD PRO 35 2HD PRO 35 3.872 -12.940 4.774 300 2HD PRO 35 1HD PRO 35 4.151 -11.237 5.178 301 H GLU 36 H GLU 36 8.320 -12.440 1.435 302 HA GLU 36 HA GLU 36 7.097 -14.498 -0.079 303 1HB GLU 36 2HB GLU 36 9.458 -14.778 -1.000 304 2HB GLU 36 1HB GLU 36 8.766 -13.162 -1.141 305 1HG GLU 36 2HG GLU 36 10.283 -12.260 0.285 306 2HG GLU 36 1HG GLU 36 10.184 -13.627 1.395 307 H GLY 37 H GLY 37 6.490 -16.143 1.463 308 1HA GLY 37 2HA GLY 37 8.594 -18.082 1.896 309 2HA GLY 37 1HA GLY 37 7.946 -17.393 3.387 310 H LYS 38 H LYS 38 6.969 -19.390 4.027 311 HA LYS 38 HA LYS 38 4.926 -20.515 2.245 312 1HB LYS 38 2HB LYS 38 6.655 -21.644 4.103 313 2HB LYS 38 1HB LYS 38 5.109 -21.617 4.953 314 1HG LYS 38 2HG LYS 38 4.275 -23.266 3.660 315 2HG LYS 38 1HG LYS 38 4.789 -22.451 2.182 316 1HD LYS 38 2HD LYS 38 6.165 -24.287 2.042 317 2HD LYS 38 1HD LYS 38 7.194 -23.271 3.053 318 1HE LYS 38 2HE LYS 38 7.074 -25.434 4.109 319 2HE LYS 38 1HE LYS 38 6.097 -24.326 5.072 320 1HZ LYS 38 1HZ LYS 38 5.209 -26.621 4.173 321 2HZ LYS 38 2HZ LYS 38 4.728 -25.681 2.971 322 3HZ LYS 38 3HZ LYS 38 4.246 -25.376 4.466 323 H ASP 39 H ASP 39 4.573 -17.860 3.258 324 HA ASP 39 HA ASP 39 1.929 -18.083 4.300 325 1HB ASP 39 2HB ASP 39 4.178 -17.089 6.073 326 2HB ASP 39 1HB ASP 39 2.508 -16.570 6.306 327 H ARG 40 H ARG 40 0.959 -16.356 3.029 328 HA ARG 40 HA ARG 40 2.838 -14.204 2.374 329 1HB ARG 40 2HB ARG 40 0.664 -13.923 0.688 330 2HB ARG 40 1HB ARG 40 2.205 -14.660 0.263 331 1HG ARG 40 2HG ARG 40 1.209 -16.843 1.241 332 2HG ARG 40 1HG ARG 40 -0.347 -16.020 1.124 333 1HD ARG 40 2HD ARG 40 -0.292 -16.978 -0.972 334 2HD ARG 40 1HD ARG 40 0.566 -15.480 -1.334 335 HE ARG 40 HE ARG 40 2.545 -17.190 -0.538 336 1HH1 ARG 40 1HH2 ARG 40 -0.040 -17.250 -2.832 337 2HH1 ARG 40 2HH2 ARG 40 0.802 -18.276 -3.944 338 1HH2 ARG 40 1HH1 ARG 40 3.648 -18.527 -1.981 339 2HH2 ARG 40 2HH1 ARG 40 2.886 -18.998 -3.464 340 H PHE 41 H PHE 41 -0.582 -14.096 2.038 341 HA PHE 41 HA PHE 41 -1.019 -11.571 2.859 342 1HB PHE 41 2HB PHE 41 -2.738 -14.011 3.276 343 2HB PHE 41 1HB PHE 41 -3.299 -12.379 3.665 344 HD1 PHE 41 HD1 PHE 41 -3.763 -14.651 1.250 345 HD2 PHE 41 HD2 PHE 41 -2.109 -10.702 1.644 346 HE1 PHE 41 HE1 PHE 41 -4.184 -14.237 -1.158 347 HE2 PHE 41 HE2 PHE 41 -2.531 -10.287 -0.776 348 HZ PHE 41 HZ PHE 41 -3.568 -12.058 -2.168 349 H THR 42 H THR 42 0.247 -10.845 4.463 350 HA THR 42 HA THR 42 -0.082 -12.003 7.148 351 HB THR 42 HB THR 42 2.196 -11.229 5.695 352 HG1 THR 42 HG1 THR 42 2.846 -12.433 7.254 353 1HG2 THR 42 1HG2 THR 42 1.515 -9.135 7.764 354 2HG2 THR 42 2HG2 THR 42 1.931 -8.888 6.066 355 3HG2 THR 42 3HG2 THR 42 3.158 -9.442 7.203 356 H ILE 43 H ILE 43 -1.139 -9.502 5.156 357 HA ILE 43 HA ILE 43 -2.341 -8.178 7.445 358 HB ILE 43 HB ILE 43 0.060 -7.160 6.382 359 1HG1 ILE 43 2HG1 ILE 43 -1.990 -6.331 8.390 360 2HG1 ILE 43 1HG1 ILE 43 -0.321 -6.846 8.644 361 1HG2 ILE 43 1HG2 ILE 43 -0.438 -5.046 5.450 362 2HG2 ILE 43 2HG2 ILE 43 -2.114 -5.109 5.988 363 3HG2 ILE 43 3HG2 ILE 43 -1.583 -6.109 4.647 364 1HD1 ILE 43 1HD1 ILE 43 0.058 -4.631 7.109 365 2HD1 ILE 43 2HD1 ILE 43 0.073 -4.611 8.878 366 3HD1 ILE 43 3HD1 ILE 43 -1.395 -4.176 7.999 367 H SER 44 H SER 44 -4.064 -6.750 6.831 368 HA SER 44 HA SER 44 -4.642 -6.366 4.053 369 1HB SER 44 2HB SER 44 -6.640 -8.055 5.551 370 2HB SER 44 1HB SER 44 -6.536 -7.761 3.817 371 HG SER 44 HG SER 44 -5.705 -9.843 4.668 372 H HIS 45 H HIS 45 -5.090 -4.202 4.382 373 HA HIS 45 HA HIS 45 -7.071 -3.568 6.492 374 1HB HIS 45 2HB HIS 45 -5.904 -1.243 5.275 375 2HB HIS 45 1HB HIS 45 -5.882 -1.718 6.970 376 HD1 HIS 45 HD1 HIS 45 -3.593 -2.107 7.863 377 HD2 HIS 45 HD2 HIS 45 -3.752 -2.757 3.758 378 HE1 HIS 45 HE1 HIS 45 -1.217 -2.567 7.116 379 H MET 46 H MET 46 -9.079 -3.396 5.615 380 HA MET 46 HA MET 46 -9.539 -3.019 2.853 381 1HB MET 46 2HB MET 46 -11.071 -3.560 5.204 382 2HB MET 46 1HB MET 46 -11.811 -2.210 4.349 383 1HG MET 46 2HG MET 46 -12.753 -3.784 3.018 384 2HG MET 46 1HG MET 46 -11.152 -3.938 2.296 385 1HE MET 46 1HE MET 46 -12.738 -6.596 1.912 386 2HE MET 46 2HE MET 46 -11.319 -7.558 2.318 387 3HE MET 46 3HE MET 46 -11.120 -6.009 1.502 388 H TYR 47 H TYR 47 -8.926 -1.203 1.923 389 HA TYR 47 HA TYR 47 -8.326 1.264 2.701 390 1HB TYR 47 2HB TYR 47 -9.938 0.313 0.353 391 2HB TYR 47 1HB TYR 47 -9.763 2.039 0.608 392 HD1 TYR 47 HD1 TYR 47 -6.805 0.961 2.014 393 HD2 TYR 47 HD2 TYR 47 -8.719 1.045 -1.837 394 HE1 TYR 47 HE1 TYR 47 -4.611 0.911 0.899 395 HE2 TYR 47 HE2 TYR 47 -6.558 0.990 -2.916 396 HH TYR 47 HH TYR 47 -3.939 1.811 -1.900 397 H ALA 48 H ALA 48 -11.774 0.204 2.413 398 HA ALA 48 HA ALA 48 -12.794 2.735 3.301 399 1HB ALA 48 1HB ALA 48 -14.893 1.378 3.718 400 2HB ALA 48 2HB ALA 48 -13.987 -0.045 3.201 401 3HB ALA 48 3HB ALA 48 -14.262 1.283 2.073 402 H ASP 49 H ASP 49 -12.110 -0.331 4.878 403 HA ASP 49 HA ASP 49 -12.945 0.444 7.500 404 1HB ASP 49 2HB ASP 49 -11.043 -1.705 6.532 405 2HB ASP 49 1HB ASP 49 -11.553 -1.527 8.211 406 H ILE 50 H ILE 50 -10.442 1.529 5.607 407 HA ILE 50 HA ILE 50 -8.969 2.348 8.035 408 HB ILE 50 HB ILE 50 -6.882 2.187 6.781 409 1HG1 ILE 50 2HG1 ILE 50 -8.701 1.299 4.534 410 2HG1 ILE 50 1HG1 ILE 50 -7.692 2.745 4.562 411 1HG2 ILE 50 1HG2 ILE 50 -6.710 -0.030 7.207 412 2HG2 ILE 50 2HG2 ILE 50 -7.961 -0.431 6.032 413 3HG2 ILE 50 3HG2 ILE 50 -8.411 0.058 7.665 414 1HD1 ILE 50 1HD1 ILE 50 -6.046 1.519 3.632 415 2HD1 ILE 50 2HD1 ILE 50 -6.969 0.030 3.839 416 3HD1 ILE 50 3HD1 ILE 50 -5.947 0.624 5.149 417 H LYS 51 H LYS 51 -8.677 4.709 8.107 418 HA LYS 51 HA LYS 51 -8.878 5.995 5.484 419 1HB LYS 51 2HB LYS 51 -11.198 5.935 6.282 420 2HB LYS 51 1HB LYS 51 -10.699 6.741 7.770 421 1HG LYS 51 2HG LYS 51 -11.585 8.315 5.980 422 2HG LYS 51 1HG LYS 51 -9.969 8.691 6.586 423 1HD LYS 51 2HD LYS 51 -8.904 7.838 4.662 424 2HD LYS 51 1HD LYS 51 -10.350 6.970 4.141 425 1HE LYS 51 2HE LYS 51 -10.661 8.774 2.782 426 2HE LYS 51 1HE LYS 51 -11.291 9.535 4.243 427 1HZ LYS 51 1HZ LYS 51 -8.575 9.770 4.314 428 2HZ LYS 51 2HZ LYS 51 -9.637 10.944 4.080 429 3HZ LYS 51 3HZ LYS 51 -8.997 10.183 2.826 430 H CYS 52 H CYS 52 -7.002 6.941 5.553 431 HA CYS 52 HA CYS 52 -6.607 9.360 6.769 432 1HB CYS 52 2HB CYS 52 -5.851 7.069 8.396 433 2HB CYS 52 1HB CYS 52 -4.560 8.243 8.181 434 HG CYS 52 HG CYS 52 -7.238 9.508 8.987 435 H GLN 53 H GLN 53 -5.324 10.138 5.213 436 HA GLN 53 HA GLN 53 -3.063 8.401 4.382 437 1HB GLN 53 2HB GLN 53 -5.109 9.730 2.602 438 2HB GLN 53 1HB GLN 53 -3.575 9.107 1.995 439 1HG GLN 53 2HG GLN 53 -4.662 7.132 1.779 440 2HG GLN 53 1HG GLN 53 -4.504 7.009 3.530 441 1HE2 GLN 53 1HE2 GLN 53 -6.642 5.723 3.197 442 2HE2 GLN 53 2HE2 GLN 53 -8.084 6.619 3.206 443 H LYS 54 H LYS 54 -1.282 9.352 4.496 444 HA LYS 54 HA LYS 54 -1.028 12.263 4.072 445 1HB LYS 54 2HB LYS 54 -0.418 12.155 6.283 446 2HB LYS 54 1HB LYS 54 -0.173 10.406 6.219 447 1HG LYS 54 2HG LYS 54 2.047 10.600 5.653 448 2HG LYS 54 1HG LYS 54 1.813 12.122 4.788 449 1HD LYS 54 2HD LYS 54 1.717 13.377 6.811 450 2HD LYS 54 1HD LYS 54 1.525 11.922 7.790 451 1HE LYS 54 2HE LYS 54 3.975 12.202 6.086 452 2HE LYS 54 1HE LYS 54 3.886 13.096 7.604 453 1HZ LYS 54 1HZ LYS 54 4.302 10.360 7.211 454 2HZ LYS 54 2HZ LYS 54 3.043 10.592 8.171 455 3HZ LYS 54 3HZ LYS 54 4.465 11.217 8.554 456 H ILE 55 H ILE 55 0.289 12.687 2.305 457 HA ILE 55 HA ILE 55 2.030 10.468 1.409 458 HB ILE 55 HB ILE 55 1.195 12.853 -0.244 459 1HG1 ILE 55 2HG1 ILE 55 -0.851 11.748 0.579 460 2HG1 ILE 55 1HG1 ILE 55 -0.624 11.429 -1.141 461 1HG2 ILE 55 1HG2 ILE 55 2.087 10.033 -0.919 462 2HG2 ILE 55 2HG2 ILE 55 3.073 11.488 -1.062 463 3HG2 ILE 55 3HG2 ILE 55 1.660 11.276 -2.095 464 1HD1 ILE 55 1HD1 ILE 55 -1.241 9.373 0.114 465 2HD1 ILE 55 2HD1 ILE 55 0.215 9.557 1.093 466 3HD1 ILE 55 3HD1 ILE 55 0.349 9.240 -0.637 467 H SER 56 H SER 56 3.967 10.876 2.418 468 HA SER 56 HA SER 56 5.042 13.601 2.108 469 1HB SER 56 2HB SER 56 4.626 12.995 4.444 470 2HB SER 56 1HB SER 56 5.638 11.566 4.257 471 HG SER 56 HG SER 56 6.646 13.542 5.147 472 HA PRO 57 HA PRO 57 8.366 10.683 0.831 473 1HB PRO 57 2HB PRO 57 7.486 9.266 -1.513 474 2HB PRO 57 1HB PRO 57 8.022 8.644 0.049 475 1HG PRO 57 2HG PRO 57 5.343 8.740 -0.981 476 2HG PRO 57 1HG PRO 57 5.898 8.005 0.514 477 1HD PRO 57 2HD PRO 57 4.387 10.411 0.247 478 2HD PRO 57 1HD PRO 57 5.078 9.724 1.727 479 H GLU 58 H GLU 58 6.784 13.117 -0.336 480 HA GLU 58 HA GLU 58 7.734 13.336 -3.029 481 1HB GLU 58 2HB GLU 58 5.838 14.688 -2.112 482 2HB GLU 58 1HB GLU 58 6.986 15.531 -1.071 483 1HG GLU 58 2HG GLU 58 8.278 15.999 -3.294 484 2HG GLU 58 1HG GLU 58 6.738 15.625 -4.067 485 H GLY 59 H GLY 59 9.036 13.892 0.162 486 1HA GLY 59 2HA GLY 59 11.626 14.521 -1.070 487 2HA GLY 59 1HA GLY 59 11.003 15.591 0.189 488 H LYS 60 H LYS 60 10.799 12.042 -0.074 489 HA LYS 60 HA LYS 60 12.007 11.908 2.618 490 1HB LYS 60 2HB LYS 60 10.144 10.072 1.085 491 2HB LYS 60 1HB LYS 60 10.946 9.560 2.569 492 1HG LYS 60 2HG LYS 60 9.506 12.177 2.570 493 2HG LYS 60 1HG LYS 60 8.559 10.692 2.669 494 1HD LYS 60 2HD LYS 60 9.175 10.340 4.811 495 2HD LYS 60 1HD LYS 60 10.876 10.617 4.436 496 1HE LYS 60 2HE LYS 60 10.786 12.825 5.026 497 2HE LYS 60 1HE LYS 60 9.142 13.025 4.419 498 1HZ LYS 60 1HZ LYS 60 9.449 11.339 6.704 499 2HZ LYS 60 2HZ LYS 60 8.305 12.409 6.378 500 3HZ LYS 60 3HZ LYS 60 9.712 12.897 6.963 501 H ALA 61 H ALA 61 12.272 8.846 1.602 502 HA ALA 61 HA ALA 61 14.968 9.328 0.528 503 1HB ALA 61 1HB ALA 61 15.641 7.350 1.548 504 2HB ALA 61 2HB ALA 61 14.026 6.645 1.477 505 3HB ALA 61 3HB ALA 61 14.398 7.876 2.684 506 H LYS 62 H LYS 62 11.813 8.046 -0.102 507 HA LYS 62 HA LYS 62 12.302 7.842 -2.821 508 1HB LYS 62 2HB LYS 62 11.667 5.240 -2.743 509 2HB LYS 62 1HB LYS 62 13.321 5.822 -2.904 510 1HG LYS 62 2HG LYS 62 12.504 5.781 -0.122 511 2HG LYS 62 1HG LYS 62 12.292 4.202 -0.868 512 1HD LYS 62 2HD LYS 62 14.829 5.845 -0.761 513 2HD LYS 62 1HD LYS 62 14.529 4.284 0.002 514 1HE LYS 62 2HE LYS 62 15.258 3.251 -1.858 515 2HE LYS 62 1HE LYS 62 13.942 3.993 -2.768 516 1HZ LYS 62 1HZ LYS 62 15.659 4.932 -3.811 517 2HZ LYS 62 2HZ LYS 62 16.680 4.791 -2.587 518 3HZ LYS 62 3HZ LYS 62 15.616 5.986 -2.606 519 H ILE 63 H ILE 63 10.467 5.874 -0.722 520 HA ILE 63 HA ILE 63 8.052 7.371 -1.214 521 HB ILE 63 HB ILE 63 7.886 6.522 -3.270 522 1HG1 ILE 63 2HG1 ILE 63 6.740 4.026 -2.097 523 2HG1 ILE 63 1HG1 ILE 63 6.047 5.561 -1.581 524 1HG2 ILE 63 1HG2 ILE 63 9.659 5.144 -3.732 525 2HG2 ILE 63 2HG2 ILE 63 8.491 3.855 -3.444 526 3HG2 ILE 63 3HG2 ILE 63 9.587 4.354 -2.152 527 1HD1 ILE 63 1HD1 ILE 63 6.448 4.825 -4.489 528 2HD1 ILE 63 2HD1 ILE 63 5.513 6.173 -3.841 529 3HD1 ILE 63 3HD1 ILE 63 4.946 4.518 -3.617 530 H GLN 64 H GLN 64 7.930 7.300 1.102 531 HA GLN 64 HA GLN 64 6.961 4.696 2.120 532 1HB GLN 64 2HB GLN 64 7.336 5.827 4.405 533 2HB GLN 64 1HB GLN 64 8.772 5.302 3.535 534 1HG GLN 64 2HG GLN 64 7.965 8.008 2.784 535 2HG GLN 64 1HG GLN 64 8.296 7.868 4.509 536 1HE2 GLN 64 1HE2 GLN 64 9.764 7.060 1.317 537 2HE2 GLN 64 2HE2 GLN 64 11.367 7.210 1.853 538 H LEU 65 H LEU 65 4.752 4.682 2.561 539 HA LEU 65 HA LEU 65 3.514 7.351 2.644 540 1HB LEU 65 2HB LEU 65 1.424 6.194 1.854 541 2HB LEU 65 1HB LEU 65 2.754 6.246 0.702 542 HG LEU 65 HG LEU 65 1.477 4.019 0.967 543 1HD1 LEU 65 1HD1 LEU 65 3.305 3.544 -0.258 544 2HD1 LEU 65 2HD1 LEU 65 3.978 2.902 1.243 545 3HD1 LEU 65 3HD1 LEU 65 4.350 4.553 0.740 546 1HD2 LEU 65 1HD2 LEU 65 2.063 2.592 2.785 547 2HD2 LEU 65 2HD2 LEU 65 1.585 4.127 3.507 548 3HD2 LEU 65 3HD2 LEU 65 3.293 3.716 3.357 549 H GLN 66 H GLN 66 1.422 7.460 3.899 550 HA GLN 66 HA GLN 66 1.522 5.688 6.265 551 1HB GLN 66 2HB GLN 66 2.329 8.328 6.268 552 2HB GLN 66 1HB GLN 66 0.650 8.435 6.800 553 1HG GLN 66 2HG GLN 66 1.054 6.829 8.577 554 2HG GLN 66 1HG GLN 66 2.695 6.544 7.996 555 1HE2 GLN 66 1HE2 GLN 66 4.050 7.499 9.539 556 2HE2 GLN 66 2HE2 GLN 66 3.871 9.079 10.133 557 H LEU 67 H LEU 67 -0.396 4.864 6.760 558 HA LEU 67 HA LEU 67 -2.848 6.223 5.850 559 1HB LEU 67 2HB LEU 67 -2.067 4.228 4.374 560 2HB LEU 67 1HB LEU 67 -2.579 3.224 5.730 561 HG LEU 67 HG LEU 67 -4.489 5.318 4.796 562 1HD1 LEU 67 1HD1 LEU 67 -3.484 3.102 3.113 563 2HD1 LEU 67 2HD1 LEU 67 -4.326 4.579 2.644 564 3HD1 LEU 67 3HD1 LEU 67 -5.244 3.193 3.245 565 1HD2 LEU 67 1HD2 LEU 67 -5.520 4.100 6.431 566 2HD2 LEU 67 2HD2 LEU 67 -4.490 2.692 6.173 567 3HD2 LEU 67 3HD2 LEU 67 -5.859 2.993 5.101 568 H VAL 68 H VAL 68 -4.501 6.173 7.407 569 HA VAL 68 HA VAL 68 -3.857 4.515 9.753 570 HB VAL 68 HB VAL 68 -5.583 6.935 10.075 571 1HG1 VAL 68 1HG1 VAL 68 -4.358 6.779 12.326 572 2HG1 VAL 68 2HG1 VAL 68 -3.766 5.219 11.761 573 3HG1 VAL 68 3HG1 VAL 68 -5.501 5.487 11.965 574 1HG2 VAL 68 1HG2 VAL 68 -2.748 7.183 10.779 575 2HG2 VAL 68 2HG2 VAL 68 -3.824 8.381 10.061 576 3HG2 VAL 68 3HG2 VAL 68 -3.047 7.168 9.045 577 H LEU 69 H LEU 69 -5.622 3.790 10.962 578 HA LEU 69 HA LEU 69 -7.666 2.770 9.181 579 1HB LEU 69 2HB LEU 69 -6.924 2.158 12.050 580 2HB LEU 69 1HB LEU 69 -8.023 1.202 11.076 581 HG LEU 69 HG LEU 69 -5.211 0.903 11.285 582 1HD1 LEU 69 1HD1 LEU 69 -7.378 -0.287 9.655 583 2HD1 LEU 69 2HD1 LEU 69 -6.279 -1.050 10.806 584 3HD1 LEU 69 3HD1 LEU 69 -5.710 -0.628 9.185 585 1HD2 LEU 69 1HD2 LEU 69 -4.609 2.506 9.669 586 2HD2 LEU 69 2HD2 LEU 69 -6.000 2.127 8.648 587 3HD2 LEU 69 3HD2 LEU 69 -4.657 0.993 8.767 588 H HIS 70 H HIS 70 -9.938 3.022 9.613 589 HA HIS 70 HA HIS 70 -10.885 5.460 10.472 590 1HB HIS 70 2HB HIS 70 -12.064 2.697 10.424 591 2HB HIS 70 1HB HIS 70 -12.956 3.975 11.249 592 HD1 HIS 70 HD1 HIS 70 -14.137 5.700 9.810 593 HD2 HIS 70 HD2 HIS 70 -11.604 3.241 7.593 594 HE1 HIS 70 HE1 HIS 70 -14.585 6.221 7.373 595 H ALA 71 H ALA 71 -9.882 2.670 12.232 596 HA ALA 71 HA ALA 71 -10.675 3.672 14.836 597 1HB ALA 71 1HB ALA 71 -8.664 1.478 14.336 598 2HB ALA 71 2HB ALA 71 -10.388 1.186 14.110 599 3HB ALA 71 3HB ALA 71 -9.776 1.663 15.693 600 H GLY 72 H GLY 72 -7.959 2.758 15.908 601 1HA GLY 72 2HA GLY 72 -6.520 5.239 15.204 602 2HA GLY 72 1HA GLY 72 -6.528 4.527 16.817 603 H ASP 73 H ASP 73 -5.996 3.236 13.586 604 HA ASP 73 HA ASP 73 -3.392 2.203 14.569 605 1HB ASP 73 2HB ASP 73 -5.615 0.811 13.120 606 2HB ASP 73 1HB ASP 73 -3.951 0.313 12.807 607 H THR 74 H THR 74 -1.693 2.548 13.231 608 HA THR 74 HA THR 74 -2.320 3.935 10.710 609 HB THR 74 HB THR 74 0.443 4.031 11.706 610 HG1 THR 74 HG1 THR 74 -0.592 4.091 13.682 611 1HG2 THR 74 1HG2 THR 74 -1.481 5.635 10.239 612 2HG2 THR 74 2HG2 THR 74 0.278 5.753 10.266 613 3HG2 THR 74 3HG2 THR 74 -0.681 6.588 11.489 614 H THR 75 H THR 75 -1.130 3.406 8.845 615 HA THR 75 HA THR 75 0.255 0.801 8.958 616 HB THR 75 HB THR 75 -1.319 1.865 6.599 617 HG1 THR 75 HG1 THR 75 -3.011 1.362 7.712 618 1HG2 THR 75 1HG2 THR 75 -1.219 -0.481 5.872 619 2HG2 THR 75 2HG2 THR 75 -0.352 -0.908 7.348 620 3HG2 THR 75 3HG2 THR 75 0.405 0.148 6.155 621 H ASN 76 H ASN 76 2.426 1.382 8.657 622 HA ASN 76 HA ASN 76 2.917 3.647 6.826 623 1HB ASN 76 2HB ASN 76 4.720 2.441 8.940 624 2HB ASN 76 1HB ASN 76 5.068 3.868 7.965 625 1HD2 ASN 76 1HD2 ASN 76 5.196 5.088 10.069 626 2HD2 ASN 76 2HD2 ASN 76 3.760 5.583 10.828 627 H PHE 77 H PHE 77 4.002 3.206 4.956 628 HA PHE 77 HA PHE 77 5.494 0.674 4.884 629 1HB PHE 77 2HB PHE 77 3.005 1.174 3.517 630 2HB PHE 77 1HB PHE 77 4.299 0.885 2.360 631 HD1 PHE 77 HD1 PHE 77 6.065 -0.953 3.519 632 HD2 PHE 77 HD2 PHE 77 1.806 -0.835 3.962 633 HE1 PHE 77 HE1 PHE 77 6.069 -3.352 4.013 634 HE2 PHE 77 HE2 PHE 77 1.802 -3.256 4.452 635 HZ PHE 77 HZ PHE 77 3.963 -4.494 4.467 636 H HIS 78 H HIS 78 6.898 0.513 3.112 637 HA HIS 78 HA HIS 78 7.764 3.020 1.839 638 1HB HIS 78 2HB HIS 78 9.033 2.820 3.977 639 2HB HIS 78 1HB HIS 78 9.635 1.255 3.458 640 HD1 HIS 78 HD1 HIS 78 11.530 1.199 1.800 641 HD2 HIS 78 HD2 HIS 78 10.044 5.059 2.294 642 HE1 HIS 78 HE1 HIS 78 13.037 2.746 0.490 643 H PHE 79 H PHE 79 9.629 2.460 0.273 644 HA PHE 79 HA PHE 79 9.304 -0.269 -0.782 645 1HB PHE 79 2HB PHE 79 9.054 2.291 -2.353 646 2HB PHE 79 1HB PHE 79 9.293 0.711 -3.067 647 HD1 PHE 79 HD1 PHE 79 7.019 2.662 -0.865 648 HD2 PHE 79 HD2 PHE 79 7.414 -0.771 -3.416 649 HE1 PHE 79 HE1 PHE 79 4.565 2.312 -0.776 650 HE2 PHE 79 HE2 PHE 79 4.981 -1.106 -3.333 651 HZ PHE 79 HZ PHE 79 3.557 0.409 -2.021 652 H SER 80 H SER 80 11.156 -0.935 -1.962 653 HA SER 80 HA SER 80 13.302 0.777 -2.595 654 1HB SER 80 2HB SER 80 13.348 1.001 -0.103 655 2HB SER 80 1HB SER 80 13.816 -0.700 -0.021 656 HG SER 80 HG SER 80 15.755 0.097 -0.267 657 H ASN 81 H ASN 81 14.611 -0.241 -3.983 658 HA ASN 81 HA ASN 81 15.220 -3.062 -3.597 659 1HB ASN 81 2HB ASN 81 13.355 -2.065 -5.650 660 2HB ASN 81 1HB ASN 81 14.635 -3.119 -6.262 661 1HD2 ASN 81 1HD2 ASN 81 12.366 -2.980 -3.475 662 2HD2 ASN 81 2HD2 ASN 81 12.095 -4.640 -3.431 663 H GLU 82 H GLU 82 17.062 -3.711 -4.881 664 HA GLU 82 HA GLU 82 19.089 -1.856 -5.101 665 1HB GLU 82 2HB GLU 82 18.548 -4.465 -6.500 666 2HB GLU 82 1HB GLU 82 19.956 -3.500 -6.944 667 1HG GLU 82 2HG GLU 82 21.058 -4.280 -5.148 668 2HG GLU 82 1HG GLU 82 19.824 -3.586 -4.096 669 H SER 83 H SER 83 16.432 -2.482 -7.291 670 HA SER 83 HA SER 83 17.273 -0.131 -8.818 671 1HB SER 83 2HB SER 83 17.343 -2.903 -9.819 672 2HB SER 83 1HB SER 83 16.601 -1.718 -10.889 673 HG SER 83 HG SER 83 18.470 -0.672 -11.050 674 H THR 84 H THR 84 14.716 -1.559 -7.237 675 HA THR 84 HA THR 84 12.852 -0.446 -9.243 676 HB THR 84 HB THR 84 11.390 -2.188 -8.902 677 HG1 THR 84 HG1 THR 84 11.606 -3.369 -6.765 678 1HG2 THR 84 1HG2 THR 84 13.971 -3.037 -9.170 679 2HG2 THR 84 2HG2 THR 84 12.570 -4.108 -9.207 680 3HG2 THR 84 3HG2 THR 84 13.481 -3.898 -7.711 681 H ALA 85 H ALA 85 14.291 0.934 -7.152 682 HA ALA 85 HA ALA 85 12.251 1.332 -5.096 683 1HB ALA 85 1HB ALA 85 13.923 2.100 -3.763 684 2HB ALA 85 2HB ALA 85 14.650 3.050 -5.058 685 3HB ALA 85 3HB ALA 85 14.973 1.320 -4.946 686 H VAL 86 H VAL 86 11.930 2.417 -8.025 687 HA VAL 86 HA VAL 86 11.399 5.166 -7.076 688 HB VAL 86 HB VAL 86 12.160 6.005 -9.293 689 1HG1 VAL 86 1HG1 VAL 86 14.657 5.262 -8.854 690 2HG1 VAL 86 2HG1 VAL 86 13.969 4.541 -7.399 691 3HG1 VAL 86 3HG1 VAL 86 13.816 6.276 -7.681 692 1HG2 VAL 86 1HG2 VAL 86 12.604 4.574 -10.980 693 2HG2 VAL 86 2HG2 VAL 86 12.049 3.258 -9.946 694 3HG2 VAL 86 3HG2 VAL 86 13.758 3.691 -9.979 695 H LYS 87 H LYS 87 10.761 5.271 -10.285 696 HA LYS 87 HA LYS 87 8.147 5.753 -10.295 697 1HB LYS 87 2HB LYS 87 9.575 3.995 -12.307 698 2HB LYS 87 1HB LYS 87 8.015 4.773 -12.581 699 1HG LYS 87 2HG LYS 87 8.946 6.838 -12.856 700 2HG LYS 87 1HG LYS 87 10.165 6.563 -11.612 701 1HD LYS 87 2HD LYS 87 11.644 5.558 -13.084 702 2HD LYS 87 1HD LYS 87 10.359 4.997 -14.155 703 1HE LYS 87 2HE LYS 87 10.729 7.947 -13.860 704 2HE LYS 87 1HE LYS 87 11.917 7.063 -14.817 705 1HZ LYS 87 1HZ LYS 87 10.364 7.402 -16.372 706 2HZ LYS 87 2HZ LYS 87 9.138 7.500 -15.348 707 3HZ LYS 87 3HZ LYS 87 9.715 6.068 -15.769 708 H GLU 88 H GLU 88 9.423 2.440 -10.442 709 HA GLU 88 HA GLU 88 7.084 0.978 -10.564 710 1HB GLU 88 2HB GLU 88 8.432 -0.426 -8.684 711 2HB GLU 88 1HB GLU 88 8.864 -0.474 -10.384 712 1HG GLU 88 2HG GLU 88 10.073 1.780 -8.936 713 2HG GLU 88 1HG GLU 88 10.560 0.211 -8.357 714 H ARG 89 H ARG 89 8.741 1.692 -7.548 715 HA ARG 89 HA ARG 89 6.564 1.158 -5.835 716 1HB ARG 89 2HB ARG 89 8.742 3.172 -5.258 717 2HB ARG 89 1HB ARG 89 7.912 2.107 -4.128 718 1HG ARG 89 2HG ARG 89 9.849 1.235 -6.298 719 2HG ARG 89 1HG ARG 89 10.175 1.258 -4.572 720 1HD ARG 89 2HD ARG 89 9.129 -0.714 -4.256 721 2HD ARG 89 1HD ARG 89 7.719 -0.186 -5.171 722 HE ARG 89 HE ARG 89 9.589 -0.692 -7.094 723 1HH1 ARG 89 1HH2 ARG 89 8.285 -2.386 -4.381 724 2HH1 ARG 89 2HH2 ARG 89 8.455 -3.946 -5.113 725 1HH2 ARG 89 1HH1 ARG 89 9.811 -2.722 -8.057 726 2HH2 ARG 89 2HH1 ARG 89 9.317 -4.137 -7.189 727 H ASP 90 H ASP 90 8.021 4.199 -6.806 728 HA ASP 90 HA ASP 90 6.329 6.090 -5.864 729 1HB ASP 90 2HB ASP 90 7.801 5.822 -8.430 730 2HB ASP 90 1HB ASP 90 6.537 7.052 -8.390 731 H ALA 91 H ALA 91 5.644 3.891 -8.550 732 HA ALA 91 HA ALA 91 3.120 5.021 -9.215 733 1HB ALA 91 1HB ALA 91 2.839 3.117 -10.587 734 2HB ALA 91 2HB ALA 91 3.853 2.114 -9.550 735 3HB ALA 91 3HB ALA 91 4.586 3.356 -10.564 736 H VAL 92 H VAL 92 4.033 2.106 -7.310 737 HA VAL 92 HA VAL 92 1.574 1.276 -6.435 738 HB VAL 92 HB VAL 92 3.802 1.692 -4.436 739 1HG1 VAL 92 1HG1 VAL 92 1.909 0.793 -3.375 740 2HG1 VAL 92 2HG1 VAL 92 2.841 -0.646 -3.791 741 3HG1 VAL 92 3HG1 VAL 92 1.462 -0.171 -4.782 742 1HG2 VAL 92 1HG2 VAL 92 4.638 -0.541 -5.167 743 2HG2 VAL 92 2HG2 VAL 92 4.850 0.704 -6.401 744 3HG2 VAL 92 3HG2 VAL 92 3.540 -0.469 -6.547 745 H LYS 93 H LYS 93 3.485 3.881 -4.903 746 HA LYS 93 HA LYS 93 1.571 4.658 -3.015 747 1HB LYS 93 2HB LYS 93 3.696 5.677 -2.835 748 2HB LYS 93 1HB LYS 93 3.708 6.156 -4.531 749 1HG LYS 93 2HG LYS 93 2.436 8.021 -4.152 750 2HG LYS 93 1HG LYS 93 1.494 7.246 -2.876 751 1HD LYS 93 2HD LYS 93 2.757 8.335 -1.364 752 2HD LYS 93 1HD LYS 93 4.142 7.386 -1.905 753 1HE LYS 93 2HE LYS 93 3.262 9.865 -3.385 754 2HE LYS 93 1HE LYS 93 4.362 9.956 -2.010 755 1HZ LYS 93 1HZ LYS 93 5.007 8.022 -4.008 756 2HZ LYS 93 2HZ LYS 93 5.975 8.999 -3.190 757 3HZ LYS 93 3HZ LYS 93 5.172 9.549 -4.461 758 H ASP 94 H ASP 94 2.133 6.003 -6.282 759 HA ASP 94 HA ASP 94 0.090 7.752 -6.623 760 1HB ASP 94 2HB ASP 94 1.760 6.855 -8.362 761 2HB ASP 94 1HB ASP 94 0.578 5.580 -8.659 762 H LEU 95 H LEU 95 -0.277 4.306 -7.395 763 HA LEU 95 HA LEU 95 -2.990 4.180 -7.723 764 1HB LEU 95 2HB LEU 95 -1.823 2.049 -5.999 765 2HB LEU 95 1HB LEU 95 -2.839 1.903 -7.431 766 HG LEU 95 HG LEU 95 0.114 2.565 -7.347 767 1HD1 LEU 95 1HD1 LEU 95 -1.240 0.146 -7.347 768 2HD1 LEU 95 2HD1 LEU 95 0.432 0.386 -7.857 769 3HD1 LEU 95 3HD1 LEU 95 -0.866 0.398 -9.052 770 1HD2 LEU 95 1HD2 LEU 95 -1.837 2.498 -9.677 771 2HD2 LEU 95 2HD2 LEU 95 -0.084 2.584 -9.847 772 3HD2 LEU 95 3HD2 LEU 95 -0.962 3.911 -9.089 773 H LEU 96 H LEU 96 -1.285 3.820 -4.548 774 HA LEU 96 HA LEU 96 -3.346 3.463 -2.854 775 1HB LEU 96 2HB LEU 96 -1.179 5.554 -2.461 776 2HB LEU 96 1HB LEU 96 -2.077 4.729 -1.194 777 HG LEU 96 HG LEU 96 0.033 3.620 -3.036 778 1HD1 LEU 96 1HD1 LEU 96 -0.381 4.059 -0.145 779 2HD1 LEU 96 2HD1 LEU 96 1.115 4.028 -1.079 780 3HD1 LEU 96 3HD1 LEU 96 0.362 2.517 -0.568 781 1HD2 LEU 96 1HD2 LEU 96 -2.059 2.041 -1.506 782 2HD2 LEU 96 2HD2 LEU 96 -0.623 1.346 -2.259 783 3HD2 LEU 96 3HD2 LEU 96 -1.870 2.092 -3.259 784 H GLN 97 H GLN 97 -2.248 6.797 -3.643 785 HA GLN 97 HA GLN 97 -4.709 7.897 -2.637 786 1HB GLN 97 2HB GLN 97 -3.974 9.990 -3.540 787 2HB GLN 97 1HB GLN 97 -2.598 9.212 -2.770 788 1HG GLN 97 2HG GLN 97 -2.813 8.427 -5.550 789 2HG GLN 97 1HG GLN 97 -2.754 10.186 -5.406 790 1HE2 GLN 97 1HE2 GLN 97 -0.988 7.219 -4.806 791 2HE2 GLN 97 2HE2 GLN 97 0.496 7.941 -4.438 792 H GLN 98 H GLN 98 -4.135 6.160 -5.350 793 HA GLN 98 HA GLN 98 -5.925 7.602 -7.122 794 1HB GLN 98 2HB GLN 98 -3.803 6.136 -7.706 795 2HB GLN 98 1HB GLN 98 -4.956 4.804 -7.601 796 1HG GLN 98 2HG GLN 98 -6.197 6.899 -9.088 797 2HG GLN 98 1HG GLN 98 -4.585 6.648 -9.758 798 1HE2 GLN 98 1HE2 GLN 98 -4.023 4.282 -10.268 799 2HE2 GLN 98 2HE2 GLN 98 -5.279 3.267 -10.789 800 H LEU 99 H LEU 99 -5.917 4.842 -4.921 801 HA LEU 99 HA LEU 99 -8.636 4.087 -5.735 802 1HB LEU 99 2HB LEU 99 -7.421 2.891 -3.307 803 2HB LEU 99 1HB LEU 99 -8.276 2.099 -4.617 804 HG LEU 99 HG LEU 99 -5.897 3.068 -5.772 805 1HD1 LEU 99 1HD1 LEU 99 -4.278 2.939 -4.221 806 2HD1 LEU 99 2HD1 LEU 99 -4.867 1.398 -3.632 807 3HD1 LEU 99 3HD1 LEU 99 -5.548 2.899 -3.001 808 1HD2 LEU 99 1HD2 LEU 99 -6.281 0.995 -6.591 809 2HD2 LEU 99 2HD2 LEU 99 -7.207 0.526 -5.164 810 3HD2 LEU 99 3HD2 LEU 99 -5.446 0.407 -5.152 811 H LEU 100 H LEU 100 -6.912 5.845 -3.304 812 HA LEU 100 HA LEU 100 -8.491 5.813 -1.119 813 1HB LEU 100 2HB LEU 100 -7.011 8.067 -2.447 814 2HB LEU 100 1HB LEU 100 -7.951 8.363 -0.986 815 HG LEU 100 HG LEU 100 -5.645 6.428 -1.325 816 1HD1 LEU 100 1HD1 LEU 100 -5.894 8.557 0.774 817 2HD1 LEU 100 2HD1 LEU 100 -5.417 9.014 -0.861 818 3HD1 LEU 100 3HD1 LEU 100 -4.440 7.865 0.054 819 1HD2 LEU 100 1HD2 LEU 100 -7.679 6.748 0.888 820 2HD2 LEU 100 2HD2 LEU 100 -6.077 6.077 1.195 821 3HD2 LEU 100 3HD2 LEU 100 -7.171 5.267 0.077 822 HA PRO 101 HA PRO 101 -11.452 8.756 -3.489 823 1HB PRO 101 2HB PRO 101 -11.065 7.549 -6.180 824 2HB PRO 101 1HB PRO 101 -11.369 9.241 -5.750 825 1HG PRO 101 2HG PRO 101 -8.909 8.238 -6.480 826 2HG PRO 101 1HG PRO 101 -9.125 9.675 -5.466 827 1HD PRO 101 2HD PRO 101 -8.093 7.066 -4.717 828 2HD PRO 101 1HD PRO 101 -8.130 8.560 -3.765 829 H LYS 102 H LYS 102 -10.986 5.394 -4.587 830 HA LYS 102 HA LYS 102 -13.620 4.763 -5.230 831 1HB LYS 102 2HB LYS 102 -11.742 2.921 -3.772 832 2HB LYS 102 1HB LYS 102 -13.045 2.479 -4.859 833 1HG LYS 102 2HG LYS 102 -11.549 4.126 -6.444 834 2HG LYS 102 1HG LYS 102 -10.309 3.396 -5.423 835 1HD LYS 102 2HD LYS 102 -11.062 1.161 -6.018 836 2HD LYS 102 1HD LYS 102 -12.398 1.828 -6.958 837 1HE LYS 102 2HE LYS 102 -11.032 2.488 -8.692 838 2HE LYS 102 1HE LYS 102 -9.650 2.771 -7.634 839 1HZ LYS 102 1HZ LYS 102 -8.953 0.800 -8.259 840 2HZ LYS 102 2HZ LYS 102 -10.298 0.465 -9.058 841 3HZ LYS 102 3HZ LYS 102 -10.186 0.115 -7.501 842 H PHE 103 H PHE 103 -12.122 4.950 -2.022 843 HA PHE 103 HA PHE 103 -14.743 4.116 -0.976 844 1HB PHE 103 2HB PHE 103 -13.169 3.907 1.204 845 2HB PHE 103 1HB PHE 103 -13.382 2.592 0.052 846 HD1 PHE 103 HD1 PHE 103 -11.742 2.597 -2.006 847 HD2 PHE 103 HD2 PHE 103 -11.009 4.677 1.679 848 HE1 PHE 103 HE1 PHE 103 -9.328 2.643 -2.520 849 HE2 PHE 103 HE2 PHE 103 -8.580 4.716 1.169 850 HZ PHE 103 HZ PHE 103 -7.741 3.697 -0.934 851 H LYS 104 H LYS 104 -12.852 6.818 -1.467 852 HA LYS 104 HA LYS 104 -14.503 8.336 0.384 853 1HB LYS 104 2HB LYS 104 -11.693 7.686 0.927 854 2HB LYS 104 1HB LYS 104 -12.032 9.417 0.960 855 1HG LYS 104 2HG LYS 104 -12.659 8.956 3.114 856 2HG LYS 104 1HG LYS 104 -14.177 8.516 2.333 857 1HD LYS 104 2HD LYS 104 -12.879 6.178 2.054 858 2HD LYS 104 1HD LYS 104 -12.073 6.765 3.505 859 1HE LYS 104 2HE LYS 104 -14.186 5.371 3.880 860 2HE LYS 104 1HE LYS 104 -14.123 6.927 4.708 861 1HZ LYS 104 1HZ LYS 104 -15.632 7.793 3.277 862 2HZ LYS 104 2HZ LYS 104 -16.168 6.286 3.330 863 3HZ LYS 104 3HZ LYS 104 -15.303 6.783 2.079 864 H ARG 105 H ARG 105 -15.282 9.732 -1.130 865 HA ARG 105 HA ARG 105 -13.312 11.379 -2.556 866 1HB ARG 105 2HB ARG 105 -13.915 9.634 -4.161 867 2HB ARG 105 1HB ARG 105 -15.630 9.935 -3.875 868 1HG ARG 105 2HG ARG 105 -15.026 11.107 -5.894 869 2HG ARG 105 1HG ARG 105 -15.245 12.317 -4.630 870 1HD ARG 105 2HD ARG 105 -13.089 12.969 -4.765 871 2HD ARG 105 1HD ARG 105 -12.515 11.304 -4.680 872 HE ARG 105 HE ARG 105 -13.482 11.528 -7.225 873 1HH1 ARG 105 1HH2 ARG 105 -11.287 13.294 -5.224 874 2HH1 ARG 105 2HH2 ARG 105 -10.299 13.813 -6.547 875 1HH2 ARG 105 1HH1 ARG 105 -12.199 12.201 -8.955 876 2HH2 ARG 105 2HH1 ARG 105 -10.813 13.196 -8.656 877 H LYS 106 H LYS 106 -16.861 10.887 -2.411 878 HA LYS 106 HA LYS 106 -17.521 13.596 -2.656 879 1HB LYS 106 2HB LYS 106 -19.697 12.967 -1.754 880 2HB LYS 106 1HB LYS 106 -19.133 11.695 -2.838 881 1HG LYS 106 2HG LYS 106 -18.194 10.520 -0.790 882 2HG LYS 106 1HG LYS 106 -19.071 11.697 0.188 883 1HD LYS 106 2HD LYS 106 -20.706 10.086 0.065 884 2HD LYS 106 1HD LYS 106 -21.074 10.939 -1.435 885 1HE LYS 106 2HE LYS 106 -19.082 9.195 -2.217 886 2HE LYS 106 1HE LYS 106 -19.985 8.240 -1.041 887 1HZ LYS 106 1HZ LYS 106 -20.803 8.213 -3.383 888 2HZ LYS 106 2HZ LYS 106 -21.317 9.712 -3.163 889 3HZ LYS 106 3HZ LYS 106 -21.909 8.524 -2.268 890 H ALA 107 H ALA 107 -17.543 15.273 -1.193 891 HA ALA 107 HA ALA 107 -16.945 14.587 1.623 892 1HB ALA 107 1HB ALA 107 -15.475 16.285 -0.262 893 2HB ALA 107 2HB ALA 107 -14.953 15.606 1.279 894 3HB ALA 107 3HB ALA 107 -15.876 17.108 1.245 895 H ASN 108 H ASN 108 -17.981 17.323 -0.452 896 HA ASN 108 HA ASN 108 -20.036 17.884 1.607 897 1HB ASN 108 2HB ASN 108 -18.363 19.769 -0.065 898 2HB ASN 108 1HB ASN 108 -19.837 20.283 0.756 899 1HD2 ASN 108 1HD2 ASN 108 -18.810 21.612 2.363 900 2HD2 ASN 108 2HD2 ASN 108 -17.788 20.975 3.559 Start of MODEL 16 1 1H MET 1 1H MET 1 -12.275 -20.581 -4.847 2 2H MET 1 2H MET 1 -12.797 -21.085 -3.421 3 3H MET 1 3H MET 1 -11.350 -20.414 -3.550 4 HA MET 1 HA MET 1 -13.868 -19.181 -3.232 5 1HB MET 1 2HB MET 1 -11.389 -18.998 -2.077 6 2HB MET 1 1HB MET 1 -11.383 -17.591 -3.140 7 1HG MET 1 2HG MET 1 -13.455 -16.780 -2.163 8 2HG MET 1 1HG MET 1 -13.611 -18.243 -1.191 9 1HE MET 1 1HE MET 1 -12.882 -15.164 1.113 10 2HE MET 1 2HE MET 1 -13.643 -16.741 1.304 11 3HE MET 1 3HE MET 1 -14.038 -15.744 -0.093 12 H ALA 2 H ALA 2 -14.397 -17.115 -4.258 13 HA ALA 2 HA ALA 2 -13.978 -17.189 -7.086 14 1HB ALA 2 1HB ALA 2 -14.998 -14.802 -5.552 15 2HB ALA 2 2HB ALA 2 -15.995 -16.241 -5.769 16 3HB ALA 2 3HB ALA 2 -15.437 -15.334 -7.175 17 H THR 3 H THR 3 -12.183 -16.451 -8.107 18 HA THR 3 HA THR 3 -10.411 -14.617 -6.654 19 HB THR 3 HB THR 3 -9.446 -15.342 -9.264 20 HG1 THR 3 HG1 THR 3 -10.771 -17.118 -9.173 21 1HG2 THR 3 1HG2 THR 3 -7.535 -15.725 -8.075 22 2HG2 THR 3 2HG2 THR 3 -8.374 -16.657 -6.835 23 3HG2 THR 3 3HG2 THR 3 -8.418 -14.894 -6.795 24 H SER 4 H SER 4 -12.076 -14.884 -9.804 25 HA SER 4 HA SER 4 -11.314 -12.251 -10.625 26 1HB SER 4 2HB SER 4 -12.044 -14.140 -12.151 27 2HB SER 4 1HB SER 4 -13.689 -13.866 -11.583 28 HG SER 4 HG SER 4 -13.786 -12.218 -12.870 29 H SER 5 H SER 5 -13.519 -13.389 -8.322 30 HA SER 5 HA SER 5 -15.721 -11.723 -8.570 31 1HB SER 5 2HB SER 5 -14.424 -13.225 -6.442 32 2HB SER 5 1HB SER 5 -15.124 -11.725 -5.838 33 HG SER 5 HG SER 5 -16.424 -13.713 -7.400 34 H GLU 6 H GLU 6 -13.178 -10.958 -6.198 35 HA GLU 6 HA GLU 6 -13.800 -8.187 -6.264 36 1HB GLU 6 2HB GLU 6 -11.323 -8.110 -5.257 37 2HB GLU 6 1HB GLU 6 -12.705 -8.630 -4.303 38 1HG GLU 6 2HG GLU 6 -12.139 -10.901 -4.489 39 2HG GLU 6 1HG GLU 6 -11.153 -10.632 -5.926 40 H GLU 7 H GLU 7 -12.263 -6.484 -6.919 41 HA GLU 7 HA GLU 7 -10.760 -7.290 -9.346 42 1HB GLU 7 2HB GLU 7 -11.924 -4.539 -8.970 43 2HB GLU 7 1HB GLU 7 -11.480 -5.358 -10.468 44 1HG GLU 7 2HG GLU 7 -13.341 -7.041 -9.904 45 2HG GLU 7 1HG GLU 7 -13.885 -5.860 -8.712 46 H VAL 8 H VAL 8 -8.551 -7.140 -8.730 47 HA VAL 8 HA VAL 8 -7.924 -5.096 -6.751 48 HB VAL 8 HB VAL 8 -6.185 -6.450 -6.115 49 1HG1 VAL 8 1HG1 VAL 8 -8.431 -7.864 -6.679 50 2HG1 VAL 8 2HG1 VAL 8 -7.000 -8.575 -5.932 51 3HG1 VAL 8 3HG1 VAL 8 -7.260 -8.734 -7.669 52 1HG2 VAL 8 1HG2 VAL 8 -5.835 -6.844 -9.057 53 2HG2 VAL 8 2HG2 VAL 8 -5.183 -8.088 -7.990 54 3HG2 VAL 8 3HG2 VAL 8 -4.639 -6.418 -7.831 55 H LEU 9 H LEU 9 -6.148 -3.679 -7.112 56 HA LEU 9 HA LEU 9 -6.013 -2.903 -9.940 57 1HB LEU 9 2HB LEU 9 -6.742 -1.200 -8.360 58 2HB LEU 9 1HB LEU 9 -5.248 -1.384 -7.446 59 HG LEU 9 HG LEU 9 -3.972 -0.764 -9.502 60 1HD1 LEU 9 1HD1 LEU 9 -5.778 -1.438 -11.097 61 2HD1 LEU 9 2HD1 LEU 9 -5.169 0.190 -11.396 62 3HD1 LEU 9 3HD1 LEU 9 -6.713 -0.036 -10.575 63 1HD2 LEU 9 1HD2 LEU 9 -6.057 1.265 -8.632 64 2HD2 LEU 9 2HD2 LEU 9 -4.503 1.635 -9.378 65 3HD2 LEU 9 3HD2 LEU 9 -4.561 0.922 -7.766 66 H LEU 10 H LEU 10 -3.616 -3.575 -7.241 67 HA LEU 10 HA LEU 10 -1.795 -4.478 -9.252 68 1HB LEU 10 2HB LEU 10 -1.728 -1.982 -9.589 69 2HB LEU 10 1HB LEU 10 -1.068 -1.845 -7.959 70 HG LEU 10 HG LEU 10 0.265 -3.831 -9.706 71 1HD1 LEU 10 1HD1 LEU 10 1.432 -2.247 -11.055 72 2HD1 LEU 10 2HD1 LEU 10 0.787 -0.884 -10.140 73 3HD1 LEU 10 3HD1 LEU 10 -0.274 -1.819 -11.194 74 1HD2 LEU 10 1HD2 LEU 10 0.764 -2.384 -7.320 75 2HD2 LEU 10 2HD2 LEU 10 1.939 -1.810 -8.504 76 3HD2 LEU 10 3HD2 LEU 10 1.840 -3.529 -8.122 77 H ILE 11 H ILE 11 0.286 -5.104 -8.343 78 HA ILE 11 HA ILE 11 0.374 -5.132 -5.406 79 HB ILE 11 HB ILE 11 -0.585 -7.248 -5.732 80 1HG1 ILE 11 2HG1 ILE 11 1.789 -7.148 -4.602 81 2HG1 ILE 11 1HG1 ILE 11 1.083 -8.711 -4.961 82 1HG2 ILE 11 1HG2 ILE 11 -0.624 -7.424 -8.103 83 2HG2 ILE 11 2HG2 ILE 11 0.334 -8.799 -7.556 84 3HG2 ILE 11 3HG2 ILE 11 1.135 -7.372 -8.213 85 1HD1 ILE 11 1HD1 ILE 11 2.688 -9.212 -6.474 86 2HD1 ILE 11 2HD1 ILE 11 3.585 -7.865 -5.774 87 3HD1 ILE 11 3HD1 ILE 11 2.598 -7.614 -7.213 88 H VAL 12 H VAL 12 2.428 -5.127 -4.594 89 HA VAL 12 HA VAL 12 4.646 -5.232 -6.546 90 HB VAL 12 HB VAL 12 3.822 -3.107 -4.680 91 1HG1 VAL 12 1HG1 VAL 12 6.500 -4.355 -4.415 92 2HG1 VAL 12 2HG1 VAL 12 5.564 -3.412 -3.258 93 3HG1 VAL 12 3HG1 VAL 12 6.447 -2.602 -4.542 94 1HG2 VAL 12 1HG2 VAL 12 5.624 -3.367 -7.082 95 2HG2 VAL 12 2HG2 VAL 12 5.472 -1.856 -6.182 96 3HG2 VAL 12 3HG2 VAL 12 4.057 -2.561 -6.978 97 H LYS 13 H LYS 13 6.114 -6.794 -5.943 98 HA LYS 13 HA LYS 13 5.604 -8.272 -3.548 99 1HB LYS 13 2HB LYS 13 7.371 -8.480 -5.835 100 2HB LYS 13 1HB LYS 13 8.219 -8.862 -4.337 101 1HG LYS 13 2HG LYS 13 5.617 -10.073 -4.260 102 2HG LYS 13 1HG LYS 13 6.407 -10.511 -5.775 103 1HD LYS 13 2HD LYS 13 8.415 -10.700 -3.816 104 2HD LYS 13 1HD LYS 13 6.984 -11.430 -3.087 105 1HE LYS 13 2HE LYS 13 6.786 -12.561 -5.496 106 2HE LYS 13 1HE LYS 13 8.527 -12.283 -5.498 107 1HZ LYS 13 1HZ LYS 13 8.460 -13.357 -3.259 108 2HZ LYS 13 2HZ LYS 13 8.222 -14.332 -4.506 109 3HZ LYS 13 3HZ LYS 13 6.982 -13.861 -3.611 110 H LYS 14 H LYS 14 8.839 -7.052 -4.192 111 HA LYS 14 HA LYS 14 9.545 -6.807 -1.602 112 1HB LYS 14 2HB LYS 14 11.137 -6.488 -3.402 113 2HB LYS 14 1HB LYS 14 10.357 -4.974 -3.862 114 1HG LYS 14 2HG LYS 14 12.067 -4.162 -2.530 115 2HG LYS 14 1HG LYS 14 10.807 -4.356 -1.319 116 1HD LYS 14 2HD LYS 14 11.696 -6.617 -0.787 117 2HD LYS 14 1HD LYS 14 13.005 -6.349 -1.938 118 1HE LYS 14 2HE LYS 14 13.708 -4.349 -0.639 119 2HE LYS 14 1HE LYS 14 12.438 -4.689 0.536 120 1HZ LYS 14 1HZ LYS 14 14.952 -5.890 0.283 121 2HZ LYS 14 2HZ LYS 14 13.801 -7.001 0.250 122 3HZ LYS 14 3HZ LYS 14 13.906 -5.995 1.490 123 H VAL 15 H VAL 15 8.959 -5.673 0.046 124 HA VAL 15 HA VAL 15 8.379 -2.862 -0.263 125 HB VAL 15 HB VAL 15 6.123 -4.672 0.596 126 1HG1 VAL 15 1HG1 VAL 15 5.000 -2.749 1.502 127 2HG1 VAL 15 2HG1 VAL 15 6.311 -1.678 1.010 128 3HG1 VAL 15 3HG1 VAL 15 6.566 -2.847 2.308 129 1HG2 VAL 15 1HG2 VAL 15 6.812 -2.811 -1.567 130 2HG2 VAL 15 2HG2 VAL 15 5.196 -2.593 -0.910 131 3HG2 VAL 15 3HG2 VAL 15 5.679 -4.157 -1.569 132 H ARG 16 H ARG 16 8.530 -1.724 1.657 133 HA ARG 16 HA ARG 16 9.659 -3.304 3.891 134 1HB ARG 16 2HB ARG 16 11.431 -2.199 2.667 135 2HB ARG 16 1HB ARG 16 10.539 -0.702 2.633 136 1HG ARG 16 2HG ARG 16 11.892 -0.222 4.414 137 2HG ARG 16 1HG ARG 16 10.600 -1.043 5.284 138 1HD ARG 16 2HD ARG 16 12.907 -1.845 5.881 139 2HD ARG 16 1HD ARG 16 11.846 -3.122 5.285 140 HE ARG 16 HE ARG 16 13.106 -2.329 3.026 141 1HH1 ARG 16 1HH2 ARG 16 14.154 -3.147 6.222 142 2HH1 ARG 16 2HH2 ARG 16 15.663 -3.803 5.689 143 1HH2 ARG 16 1HH1 ARG 16 15.066 -3.182 2.334 144 2HH2 ARG 16 2HH1 ARG 16 16.179 -3.826 3.494 145 H GLN 17 H GLN 17 8.624 -2.957 5.721 146 HA GLN 17 HA GLN 17 7.377 -0.316 6.081 147 1HB GLN 17 2HB GLN 17 5.401 -1.300 6.986 148 2HB GLN 17 1HB GLN 17 5.723 -2.199 5.514 149 1HG GLN 17 2HG GLN 17 6.757 -3.988 6.784 150 2HG GLN 17 1HG GLN 17 6.576 -3.064 8.274 151 1HE2 GLN 17 1HE2 GLN 17 4.779 -4.884 5.809 152 2HE2 GLN 17 2HE2 GLN 17 3.340 -5.003 6.702 153 H LYS 18 H LYS 18 7.993 0.562 7.972 154 HA LYS 18 HA LYS 18 10.175 0.000 9.331 155 1HB LYS 18 2HB LYS 18 7.634 1.222 10.217 156 2HB LYS 18 1HB LYS 18 8.730 0.732 11.509 157 1HG LYS 18 2HG LYS 18 9.658 2.785 11.113 158 2HG LYS 18 1HG LYS 18 10.497 1.911 9.831 159 1HD LYS 18 2HD LYS 18 7.784 2.996 9.215 160 2HD LYS 18 1HD LYS 18 9.119 4.144 9.324 161 1HE LYS 18 2HE LYS 18 9.848 1.754 7.813 162 2HE LYS 18 1HE LYS 18 8.476 2.601 7.098 163 1HZ LYS 18 1HZ LYS 18 9.739 4.541 6.982 164 2HZ LYS 18 2HZ LYS 18 10.699 3.394 6.413 165 3HZ LYS 18 3HZ LYS 18 10.922 3.963 7.892 166 H LYS 19 H LYS 19 7.300 -1.985 9.667 167 HA LYS 19 HA LYS 19 8.272 -3.313 12.029 168 1HB LYS 19 2HB LYS 19 6.214 -4.314 12.018 169 2HB LYS 19 1HB LYS 19 5.814 -3.127 10.787 170 1HG LYS 19 2HG LYS 19 6.263 -4.742 8.995 171 2HG LYS 19 1HG LYS 19 6.926 -5.891 10.148 172 1HD LYS 19 2HD LYS 19 4.106 -4.904 10.442 173 2HD LYS 19 1HD LYS 19 4.485 -6.171 9.267 174 1HE LYS 19 2HE LYS 19 5.400 -6.356 12.145 175 2HE LYS 19 1HE LYS 19 3.808 -6.928 11.647 176 1HZ LYS 19 1HZ LYS 19 4.720 -8.610 10.527 177 2HZ LYS 19 2HZ LYS 19 5.949 -8.415 11.532 178 3HZ LYS 19 3HZ LYS 19 6.017 -7.797 10.058 179 H GLN 20 H GLN 20 7.885 -4.252 8.673 180 HA GLN 20 HA GLN 20 10.243 -5.976 8.772 181 1HB GLN 20 2HB GLN 20 8.711 -7.564 9.489 182 2HB GLN 20 1HB GLN 20 7.376 -6.811 8.632 183 1HG GLN 20 2HG GLN 20 7.769 -8.781 7.425 184 2HG GLN 20 1HG GLN 20 8.599 -7.575 6.472 185 1HE2 GLN 20 1HE2 GLN 20 9.004 -10.614 7.830 186 2HE2 GLN 20 2HE2 GLN 20 10.699 -10.651 7.911 187 H ASP 21 H ASP 21 10.619 -6.958 6.538 188 HA ASP 21 HA ASP 21 9.730 -5.033 4.485 189 1HB ASP 21 2HB ASP 21 11.882 -7.119 4.056 190 2HB ASP 21 1HB ASP 21 11.710 -5.556 3.252 191 H GLY 22 H GLY 22 8.357 -5.966 3.043 192 1HA GLY 22 2HA GLY 22 8.050 -8.817 2.820 193 2HA GLY 22 1HA GLY 22 6.776 -8.042 3.730 194 H ALA 23 H ALA 23 6.208 -9.290 1.248 195 HA ALA 23 HA ALA 23 6.164 -7.200 -0.665 196 1HB ALA 23 1HB ALA 23 5.279 -10.050 -0.603 197 2HB ALA 23 2HB ALA 23 6.417 -9.264 -1.697 198 3HB ALA 23 3HB ALA 23 4.684 -8.995 -1.885 199 H LEU 24 H LEU 24 4.646 -6.030 -1.311 200 HA LEU 24 HA LEU 24 2.153 -5.924 0.304 201 1HB LEU 24 2HB LEU 24 3.998 -3.956 -0.677 202 2HB LEU 24 1HB LEU 24 2.389 -3.576 -1.247 203 HG LEU 24 HG LEU 24 3.351 -3.907 1.591 204 1HD1 LEU 24 1HD1 LEU 24 1.783 -1.651 1.371 205 2HD1 LEU 24 2HD1 LEU 24 2.518 -1.733 -0.227 206 3HD1 LEU 24 3HD1 LEU 24 3.538 -1.662 1.205 207 1HD2 LEU 24 1HD2 LEU 24 1.306 -5.017 1.771 208 2HD2 LEU 24 2HD2 LEU 24 0.585 -4.122 0.433 209 3HD2 LEU 24 3HD2 LEU 24 0.801 -3.344 2.001 210 H TYR 25 H TYR 25 0.233 -6.252 -0.614 211 HA TYR 25 HA TYR 25 0.006 -6.408 -3.571 212 1HB TYR 25 2HB TYR 25 -1.148 -7.949 -1.283 213 2HB TYR 25 1HB TYR 25 -2.212 -7.637 -2.651 214 HD1 TYR 25 HD1 TYR 25 1.025 -9.136 -1.642 215 HD2 TYR 25 HD2 TYR 25 -1.954 -8.776 -4.708 216 HE1 TYR 25 HE1 TYR 25 2.079 -11.008 -2.866 217 HE2 TYR 25 HE2 TYR 25 -0.906 -10.665 -5.948 218 HH TYR 25 HH TYR 25 2.143 -12.100 -4.861 219 H LEU 26 H LEU 26 -1.695 -4.975 -4.478 220 HA LEU 26 HA LEU 26 -3.188 -3.553 -2.375 221 1HB LEU 26 2HB LEU 26 -1.654 -1.963 -3.241 222 2HB LEU 26 1HB LEU 26 -1.842 -2.556 -4.889 223 HG LEU 26 HG LEU 26 -4.367 -1.671 -3.684 224 1HD1 LEU 26 1HD1 LEU 26 -3.791 0.393 -2.990 225 2HD1 LEU 26 2HD1 LEU 26 -2.936 0.706 -4.499 226 3HD1 LEU 26 3HD1 LEU 26 -2.099 -0.072 -3.156 227 1HD2 LEU 26 1HD2 LEU 26 -4.311 -2.115 -6.017 228 2HD2 LEU 26 2HD2 LEU 26 -2.813 -1.210 -6.234 229 3HD2 LEU 26 3HD2 LEU 26 -4.319 -0.355 -5.899 230 H MET 27 H MET 27 -5.391 -3.357 -2.773 231 HA MET 27 HA MET 27 -6.388 -4.411 -5.342 232 1HB MET 27 2HB MET 27 -6.763 -6.180 -3.751 233 2HB MET 27 1HB MET 27 -7.310 -5.039 -2.524 234 1HG MET 27 2HG MET 27 -9.406 -4.986 -3.354 235 2HG MET 27 1HG MET 27 -8.836 -4.839 -5.014 236 1HE MET 27 1HE MET 27 -8.901 -8.567 -2.465 237 2HE MET 27 2HE MET 27 -8.144 -7.001 -2.186 238 3HE MET 27 3HE MET 27 -7.327 -8.201 -3.183 239 H ALA 28 H ALA 28 -8.333 -3.307 -6.025 240 HA ALA 28 HA ALA 28 -8.514 -0.627 -5.659 241 1HB ALA 28 1HB ALA 28 -10.004 -1.388 -7.257 242 2HB ALA 28 2HB ALA 28 -11.126 -1.102 -5.928 243 3HB ALA 28 3HB ALA 28 -10.551 -2.740 -6.260 244 H GLU 29 H GLU 29 -10.596 -2.881 -3.849 245 HA GLU 29 HA GLU 29 -11.231 -0.774 -2.002 246 1HB GLU 29 2HB GLU 29 -12.870 -2.473 -2.773 247 2HB GLU 29 1HB GLU 29 -11.977 -3.695 -1.869 248 1HG GLU 29 2HG GLU 29 -13.189 -3.146 -0.053 249 2HG GLU 29 1HG GLU 29 -12.394 -1.573 -0.057 250 H ARG 30 H ARG 30 -8.552 -2.973 -1.927 251 HA ARG 30 HA ARG 30 -8.188 -2.118 0.812 252 1HB ARG 30 2HB ARG 30 -8.374 -4.126 1.919 253 2HB ARG 30 1HB ARG 30 -9.686 -4.254 0.757 254 1HG ARG 30 2HG ARG 30 -7.381 -5.239 -0.547 255 2HG ARG 30 1HG ARG 30 -7.359 -5.921 1.081 256 1HD ARG 30 2HD ARG 30 -8.651 -7.402 -0.347 257 2HD ARG 30 1HD ARG 30 -9.758 -6.592 0.757 258 HE ARG 30 HE ARG 30 -9.650 -4.982 -1.494 259 1HH1 ARG 30 1HH2 ARG 30 -10.322 -8.296 -0.764 260 2HH1 ARG 30 2HH2 ARG 30 -11.487 -8.475 -2.031 261 1HH2 ARG 30 1HH1 ARG 30 -11.204 -5.205 -3.136 262 2HH2 ARG 30 2HH1 ARG 30 -11.982 -6.733 -3.371 263 H ILE 31 H ILE 31 -6.203 -2.866 1.760 264 HA ILE 31 HA ILE 31 -4.111 -3.247 -0.306 265 HB ILE 31 HB ILE 31 -4.304 -1.579 2.163 266 1HG1 ILE 31 2HG1 ILE 31 -4.285 -0.797 -0.267 267 2HG1 ILE 31 1HG1 ILE 31 -3.131 -0.007 0.807 268 1HG2 ILE 31 1HG2 ILE 31 -2.501 -3.243 2.714 269 2HG2 ILE 31 2HG2 ILE 31 -1.900 -1.593 2.560 270 3HG2 ILE 31 3HG2 ILE 31 -1.652 -2.748 1.251 271 1HD1 ILE 31 1HD1 ILE 31 -2.219 -2.472 -0.605 272 2HD1 ILE 31 2HD1 ILE 31 -1.310 -1.024 -0.173 273 3HD1 ILE 31 3HD1 ILE 31 -2.391 -1.003 -1.566 274 H ALA 32 H ALA 32 -2.892 -5.114 -0.145 275 HA ALA 32 HA ALA 32 -3.259 -6.703 2.323 276 1HB ALA 32 1HB ALA 32 -4.218 -8.157 0.871 277 2HB ALA 32 2HB ALA 32 -2.550 -8.540 0.446 278 3HB ALA 32 3HB ALA 32 -3.468 -7.395 -0.532 279 H TRP 33 H TRP 33 -1.506 -7.889 3.088 280 HA TRP 33 HA TRP 33 1.097 -7.151 1.878 281 1HB TRP 33 2HB TRP 33 0.635 -5.812 3.925 282 2HB TRP 33 1HB TRP 33 0.519 -7.308 4.832 283 HD1 TRP 33 HD1 TRP 33 3.070 -6.220 2.163 284 HE1 TRP 33 HE1 TRP 33 5.404 -6.440 3.228 285 HE3 TRP 33 HE3 TRP 33 1.902 -7.848 6.864 286 HZ2 TRP 33 HZ2 TRP 33 6.650 -7.172 5.557 287 HZ3 TRP 33 HZ3 TRP 33 3.717 -8.347 8.466 288 HH2 TRP 33 HH2 TRP 33 6.097 -8.026 7.814 289 H ALA 34 H ALA 34 2.609 -8.715 1.881 290 HA ALA 34 HA ALA 34 2.195 -11.193 3.323 291 1HB ALA 34 1HB ALA 34 1.655 -10.895 0.454 292 2HB ALA 34 2HB ALA 34 1.131 -12.147 1.582 293 3HB ALA 34 3HB ALA 34 2.738 -12.228 0.858 294 HA PRO 35 HA PRO 35 6.542 -10.466 2.925 295 1HB PRO 35 2HB PRO 35 7.053 -11.906 5.349 296 2HB PRO 35 1HB PRO 35 7.061 -10.153 5.110 297 1HG PRO 35 2HG PRO 35 5.105 -11.734 6.518 298 2HG PRO 35 1HG PRO 35 5.128 -9.980 6.292 299 1HD PRO 35 2HD PRO 35 3.398 -11.904 5.025 300 2HD PRO 35 1HD PRO 35 3.412 -10.143 4.814 301 H GLU 36 H GLU 36 8.475 -12.229 3.576 302 HA GLU 36 HA GLU 36 7.810 -14.529 1.896 303 1HB GLU 36 2HB GLU 36 10.192 -14.897 1.792 304 2HB GLU 36 1HB GLU 36 9.914 -13.170 1.568 305 1HG GLU 36 2HG GLU 36 10.132 -13.719 4.379 306 2HG GLU 36 1HG GLU 36 11.520 -14.422 3.548 307 H GLY 37 H GLY 37 6.405 -14.860 4.154 308 1HA GLY 37 2HA GLY 37 8.053 -16.446 6.004 309 2HA GLY 37 1HA GLY 37 6.397 -15.910 6.294 310 H LYS 38 H LYS 38 4.727 -17.271 5.734 311 HA LYS 38 HA LYS 38 5.355 -19.560 3.991 312 1HB LYS 38 2HB LYS 38 5.657 -20.446 6.222 313 2HB LYS 38 1HB LYS 38 4.148 -19.712 6.766 314 1HG LYS 38 2HG LYS 38 2.894 -21.114 5.157 315 2HG LYS 38 1HG LYS 38 4.405 -21.868 4.649 316 1HD LYS 38 2HD LYS 38 4.774 -22.625 6.999 317 2HD LYS 38 1HD LYS 38 3.195 -21.964 7.427 318 1HE LYS 38 2HE LYS 38 2.479 -23.458 5.297 319 2HE LYS 38 1HE LYS 38 3.866 -24.395 5.852 320 1HZ LYS 38 1HZ LYS 38 2.620 -23.938 8.106 321 2HZ LYS 38 2HZ LYS 38 2.334 -25.234 7.212 322 3HZ LYS 38 3HZ LYS 38 1.351 -23.974 7.130 323 H ASP 39 H ASP 39 2.755 -17.997 5.896 324 HA ASP 39 HA ASP 39 0.789 -18.843 3.930 325 1HB ASP 39 2HB ASP 39 0.759 -17.464 6.578 326 2HB ASP 39 1HB ASP 39 -0.596 -17.168 5.488 327 H ARG 40 H ARG 40 1.576 -17.748 2.060 328 HA ARG 40 HA ARG 40 2.440 -15.422 1.354 329 1HB ARG 40 2HB ARG 40 0.339 -15.222 -0.289 330 2HB ARG 40 1HB ARG 40 1.590 -16.448 -0.496 331 1HG ARG 40 2HG ARG 40 0.250 -18.086 0.725 332 2HG ARG 40 1HG ARG 40 -0.975 -16.867 1.068 333 1HD ARG 40 2HD ARG 40 -1.908 -17.086 -0.974 334 2HD ARG 40 1HD ARG 40 -0.346 -17.043 -1.786 335 HE ARG 40 HE ARG 40 -1.903 -19.333 -1.352 336 1HH1 ARG 40 1HH2 ARG 40 1.356 -18.251 -0.891 337 2HH1 ARG 40 2HH2 ARG 40 1.988 -19.852 -0.736 338 1HH2 ARG 40 1HH1 ARG 40 -1.071 -21.407 -1.175 339 2HH2 ARG 40 2HH1 ARG 40 0.625 -21.632 -0.906 340 H PHE 41 H PHE 41 -0.908 -14.872 1.013 341 HA PHE 41 HA PHE 41 -0.876 -12.242 1.723 342 1HB PHE 41 2HB PHE 41 -3.066 -14.301 1.969 343 2HB PHE 41 1HB PHE 41 -3.337 -12.589 2.323 344 HD1 PHE 41 HD1 PHE 41 -3.526 -14.969 -0.219 345 HD2 PHE 41 HD2 PHE 41 -2.156 -10.964 0.520 346 HE1 PHE 41 HE1 PHE 41 -3.631 -14.489 -2.649 347 HE2 PHE 41 HE2 PHE 41 -2.266 -10.481 -1.917 348 HZ PHE 41 HZ PHE 41 -2.995 -12.251 -3.494 349 H THR 42 H THR 42 -0.463 -11.187 3.531 350 HA THR 42 HA THR 42 -0.831 -12.606 6.096 351 HB THR 42 HB THR 42 1.553 -11.704 4.973 352 HG1 THR 42 HG1 THR 42 2.225 -12.705 6.674 353 1HG2 THR 42 1HG2 THR 42 0.550 -9.660 6.964 354 2HG2 THR 42 2HG2 THR 42 1.155 -9.375 5.329 355 3HG2 THR 42 3HG2 THR 42 2.258 -9.901 6.600 356 H ILE 43 H ILE 43 -1.665 -9.927 4.161 357 HA ILE 43 HA ILE 43 -3.212 -8.859 6.409 358 HB ILE 43 HB ILE 43 -0.734 -7.751 5.738 359 1HG1 ILE 43 2HG1 ILE 43 -3.062 -6.910 7.434 360 2HG1 ILE 43 1HG1 ILE 43 -1.523 -7.611 7.938 361 1HG2 ILE 43 1HG2 ILE 43 -2.292 -6.580 3.881 362 2HG2 ILE 43 2HG2 ILE 43 -1.045 -5.683 4.725 363 3HG2 ILE 43 3HG2 ILE 43 -2.721 -5.567 5.249 364 1HD1 ILE 43 1HD1 ILE 43 -0.746 -5.521 8.260 365 2HD1 ILE 43 2HD1 ILE 43 -2.217 -4.838 7.574 366 3HD1 ILE 43 3HD1 ILE 43 -0.868 -5.260 6.517 367 H SER 44 H SER 44 -4.785 -7.311 5.799 368 HA SER 44 HA SER 44 -5.229 -6.599 3.079 369 1HB SER 44 2HB SER 44 -5.983 -9.161 3.515 370 2HB SER 44 1HB SER 44 -7.451 -8.330 4.020 371 HG SER 44 HG SER 44 -6.173 -7.569 1.640 372 H HIS 45 H HIS 45 -5.714 -4.504 3.750 373 HA HIS 45 HA HIS 45 -7.862 -4.269 5.770 374 1HB HIS 45 2HB HIS 45 -6.692 -1.747 5.152 375 2HB HIS 45 1HB HIS 45 -6.716 -2.585 6.699 376 HD1 HIS 45 HD1 HIS 45 -4.426 -2.967 7.587 377 HD2 HIS 45 HD2 HIS 45 -4.458 -2.911 3.435 378 HE1 HIS 45 HE1 HIS 45 -2.010 -3.161 6.849 379 H MET 46 H MET 46 -9.788 -3.686 4.993 380 HA MET 46 HA MET 46 -10.177 -2.936 2.263 381 1HB MET 46 2HB MET 46 -11.861 -3.291 4.673 382 2HB MET 46 1HB MET 46 -12.464 -2.107 3.513 383 1HG MET 46 2HG MET 46 -13.396 -4.061 2.663 384 2HG MET 46 1HG MET 46 -11.885 -3.994 1.756 385 1HE MET 46 1HE MET 46 -13.631 -6.094 4.969 386 2HE MET 46 2HE MET 46 -13.573 -7.313 3.698 387 3HE MET 46 3HE MET 46 -14.219 -5.712 3.344 388 H TYR 47 H TYR 47 -9.386 -1.021 1.572 389 HA TYR 47 HA TYR 47 -8.442 1.105 2.843 390 1HB TYR 47 2HB TYR 47 -9.940 0.851 0.291 391 2HB TYR 47 1HB TYR 47 -9.669 2.480 0.892 392 HD1 TYR 47 HD1 TYR 47 -6.912 1.424 2.342 393 HD2 TYR 47 HD2 TYR 47 -8.465 1.372 -1.676 394 HE1 TYR 47 HE1 TYR 47 -4.625 1.344 1.446 395 HE2 TYR 47 HE2 TYR 47 -6.173 1.279 -2.546 396 HH TYR 47 HH TYR 47 -3.414 1.825 -0.552 397 H ALA 48 H ALA 48 -11.978 0.596 2.551 398 HA ALA 48 HA ALA 48 -12.633 3.142 3.699 399 1HB ALA 48 1HB ALA 48 -14.365 1.936 2.539 400 2HB ALA 48 2HB ALA 48 -14.827 1.987 4.243 401 3HB ALA 48 3HB ALA 48 -14.137 0.514 3.560 402 H ASP 49 H ASP 49 -12.216 -0.082 4.960 403 HA ASP 49 HA ASP 49 -12.601 0.440 7.732 404 1HB ASP 49 2HB ASP 49 -10.755 -1.589 6.437 405 2HB ASP 49 1HB ASP 49 -11.299 -1.616 8.114 406 H ILE 50 H ILE 50 -10.316 1.669 5.658 407 HA ILE 50 HA ILE 50 -8.493 2.267 7.897 408 HB ILE 50 HB ILE 50 -7.374 2.473 5.172 409 1HG1 ILE 50 2HG1 ILE 50 -8.771 0.387 5.032 410 2HG1 ILE 50 1HG1 ILE 50 -7.042 0.085 4.877 411 1HG2 ILE 50 1HG2 ILE 50 -6.548 1.449 7.869 412 2HG2 ILE 50 2HG2 ILE 50 -5.888 2.812 6.974 413 3HG2 ILE 50 3HG2 ILE 50 -5.549 1.160 6.452 414 1HD1 ILE 50 1HD1 ILE 50 -8.398 -0.045 7.563 415 2HD1 ILE 50 2HD1 ILE 50 -6.871 -0.769 7.065 416 3HD1 ILE 50 3HD1 ILE 50 -8.396 -1.438 6.484 417 H LYS 51 H LYS 51 -8.905 4.571 8.355 418 HA LYS 51 HA LYS 51 -9.149 6.133 5.849 419 1HB LYS 51 2HB LYS 51 -11.352 5.787 7.127 420 2HB LYS 51 1HB LYS 51 -10.672 6.905 8.314 421 1HG LYS 51 2HG LYS 51 -10.758 7.508 5.357 422 2HG LYS 51 1HG LYS 51 -12.033 8.016 6.470 423 1HD LYS 51 2HD LYS 51 -10.028 9.008 7.852 424 2HD LYS 51 1HD LYS 51 -9.160 8.910 6.317 425 1HE LYS 51 2HE LYS 51 -10.475 10.522 5.317 426 2HE LYS 51 1HE LYS 51 -11.894 10.119 6.284 427 1HZ LYS 51 1HZ LYS 51 -10.789 11.136 8.151 428 2HZ LYS 51 2HZ LYS 51 -10.961 12.194 6.963 429 3HZ LYS 51 3HZ LYS 51 -9.531 11.534 7.244 430 H CYS 52 H CYS 52 -7.315 7.078 5.806 431 HA CYS 52 HA CYS 52 -6.793 9.436 7.059 432 1HB CYS 52 2HB CYS 52 -5.896 7.126 8.567 433 2HB CYS 52 1HB CYS 52 -4.593 8.256 8.224 434 HG CYS 52 HG CYS 52 -7.066 8.840 9.998 435 H GLN 53 H GLN 53 -5.292 10.361 5.605 436 HA GLN 53 HA GLN 53 -3.554 8.407 4.240 437 1HB GLN 53 2HB GLN 53 -5.054 10.462 2.640 438 2HB GLN 53 1HB GLN 53 -4.282 8.977 2.089 439 1HG GLN 53 2HG GLN 53 -6.480 8.280 2.088 440 2HG GLN 53 1HG GLN 53 -6.059 7.871 3.747 441 1HE2 GLN 53 1HE2 GLN 53 -8.487 9.280 2.035 442 2HE2 GLN 53 2HE2 GLN 53 -9.057 10.396 3.179 443 H LYS 54 H LYS 54 -1.607 9.077 4.001 444 HA LYS 54 HA LYS 54 -0.986 11.907 3.595 445 1HB LYS 54 2HB LYS 54 -0.520 11.945 5.874 446 2HB LYS 54 1HB LYS 54 -0.242 10.204 5.946 447 1HG LYS 54 2HG LYS 54 1.972 10.397 5.398 448 2HG LYS 54 1HG LYS 54 1.699 11.778 4.334 449 1HD LYS 54 2HD LYS 54 2.136 13.256 5.986 450 2HD LYS 54 1HD LYS 54 1.085 12.404 7.119 451 1HE LYS 54 2HE LYS 54 2.833 11.361 8.098 452 2HE LYS 54 1HE LYS 54 3.518 10.898 6.541 453 1HZ LYS 54 1HZ LYS 54 4.165 13.105 8.184 454 2HZ LYS 54 2HZ LYS 54 3.943 13.522 6.655 455 3HZ LYS 54 3HZ LYS 54 5.032 12.412 7.030 456 H ILE 55 H ILE 55 0.075 11.718 1.633 457 HA ILE 55 HA ILE 55 2.164 9.648 1.459 458 HB ILE 55 HB ILE 55 0.474 10.135 -0.955 459 1HG1 ILE 55 2HG1 ILE 55 -1.107 9.719 0.976 460 2HG1 ILE 55 1HG1 ILE 55 -1.166 8.488 -0.286 461 1HG2 ILE 55 1HG2 ILE 55 2.409 8.179 0.081 462 2HG2 ILE 55 2HG2 ILE 55 2.010 8.592 -1.586 463 3HG2 ILE 55 3HG2 ILE 55 1.008 7.445 -0.697 464 1HD1 ILE 55 1HD1 ILE 55 -0.685 8.072 2.454 465 2HD1 ILE 55 2HD1 ILE 55 0.876 7.845 1.663 466 3HD1 ILE 55 3HD1 ILE 55 -0.518 6.888 1.157 467 H SER 56 H SER 56 3.875 11.039 1.353 468 HA SER 56 HA SER 56 3.730 13.080 -0.786 469 1HB SER 56 2HB SER 56 5.810 13.586 1.150 470 2HB SER 56 1HB SER 56 4.477 14.624 0.657 471 HG SER 56 HG SER 56 4.323 14.074 2.859 472 HA PRO 57 HA PRO 57 7.544 10.296 -0.983 473 1HB PRO 57 2HB PRO 57 6.581 8.317 -2.824 474 2HB PRO 57 1HB PRO 57 7.193 8.131 -1.182 475 1HG PRO 57 2HG PRO 57 4.465 7.933 -2.048 476 2HG PRO 57 1HG PRO 57 5.122 7.646 -0.462 477 1HD PRO 57 2HD PRO 57 3.556 9.883 -1.313 478 2HD PRO 57 1HD PRO 57 4.273 9.601 0.283 479 H GLU 58 H GLU 58 5.393 11.891 -2.970 480 HA GLU 58 HA GLU 58 6.438 11.550 -5.526 481 1HB GLU 58 2HB GLU 58 5.218 13.427 -6.051 482 2HB GLU 58 1HB GLU 58 4.537 13.136 -4.455 483 1HG GLU 58 2HG GLU 58 5.103 15.359 -4.214 484 2HG GLU 58 1HG GLU 58 6.616 14.620 -3.689 485 H GLY 59 H GLY 59 7.798 13.080 -2.691 486 1HA GLY 59 2HA GLY 59 10.305 13.423 -4.153 487 2HA GLY 59 1HA GLY 59 9.647 14.845 -3.338 488 H LYS 60 H LYS 60 9.612 11.413 -2.220 489 HA LYS 60 HA LYS 60 11.005 12.452 0.180 490 1HB LYS 60 2HB LYS 60 9.018 10.191 -0.070 491 2HB LYS 60 1HB LYS 60 9.877 10.603 1.407 492 1HG LYS 60 2HG LYS 60 8.486 12.838 0.033 493 2HG LYS 60 1HG LYS 60 7.466 11.638 0.829 494 1HD LYS 60 2HD LYS 60 8.836 11.923 2.905 495 2HD LYS 60 1HD LYS 60 9.716 13.224 2.101 496 1HE LYS 60 2HE LYS 60 7.463 14.340 1.706 497 2HE LYS 60 1HE LYS 60 6.773 13.142 2.801 498 1HZ LYS 60 1HZ LYS 60 8.934 14.122 4.079 499 2HZ LYS 60 2HZ LYS 60 7.411 14.494 4.395 500 3HZ LYS 60 3HZ LYS 60 8.274 15.424 3.421 501 H ALA 61 H ALA 61 11.787 10.466 1.491 502 HA ALA 61 HA ALA 61 14.197 9.604 0.781 503 1HB ALA 61 1HB ALA 61 12.939 7.256 1.810 504 2HB ALA 61 2HB ALA 61 12.209 8.660 2.589 505 3HB ALA 61 3HB ALA 61 13.954 8.417 2.665 506 H LYS 62 H LYS 62 11.481 7.309 0.143 507 HA LYS 62 HA LYS 62 12.389 6.968 -2.559 508 1HB LYS 62 2HB LYS 62 12.663 4.346 -1.826 509 2HB LYS 62 1HB LYS 62 13.992 5.438 -2.164 510 1HG LYS 62 2HG LYS 62 12.801 5.489 0.588 511 2HG LYS 62 1HG LYS 62 13.807 4.108 0.164 512 1HD LYS 62 2HD LYS 62 15.123 6.474 -0.742 513 2HD LYS 62 1HD LYS 62 14.639 6.714 0.938 514 1HE LYS 62 2HE LYS 62 16.166 4.312 -0.110 515 2HE LYS 62 1HE LYS 62 16.882 5.662 0.770 516 1HZ LYS 62 1HZ LYS 62 15.835 5.029 2.668 517 2HZ LYS 62 2HZ LYS 62 16.124 3.591 2.029 518 3HZ LYS 62 3HZ LYS 62 14.659 4.229 1.932 519 H ILE 63 H ILE 63 9.682 7.458 -1.409 520 HA ILE 63 HA ILE 63 7.695 6.774 -2.059 521 HB ILE 63 HB ILE 63 7.262 5.154 -3.542 522 1HG1 ILE 63 2HG1 ILE 63 9.048 3.474 -1.946 523 2HG1 ILE 63 1HG1 ILE 63 7.783 2.992 -3.055 524 1HG2 ILE 63 1HG2 ILE 63 9.154 6.818 -4.118 525 2HG2 ILE 63 2HG2 ILE 63 8.862 5.467 -5.212 526 3HG2 ILE 63 3HG2 ILE 63 10.211 5.408 -4.079 527 1HD1 ILE 63 1HD1 ILE 63 10.156 2.192 -3.654 528 2HD1 ILE 63 2HD1 ILE 63 10.532 3.869 -4.016 529 3HD1 ILE 63 3HD1 ILE 63 9.296 3.034 -4.940 530 H GLN 64 H GLN 64 7.270 7.002 0.024 531 HA GLN 64 HA GLN 64 6.540 4.497 1.439 532 1HB GLN 64 2HB GLN 64 7.331 5.303 3.522 533 2HB GLN 64 1HB GLN 64 8.619 5.688 2.385 534 1HG GLN 64 2HG GLN 64 6.444 7.628 3.217 535 2HG GLN 64 1HG GLN 64 8.065 7.591 3.910 536 1HE2 GLN 64 1HE2 GLN 64 9.541 7.048 1.491 537 2HE2 GLN 64 2HE2 GLN 64 9.413 8.408 0.484 538 H LEU 65 H LEU 65 4.423 4.513 2.177 539 HA LEU 65 HA LEU 65 3.077 7.145 2.102 540 1HB LEU 65 2HB LEU 65 0.995 5.849 1.488 541 2HB LEU 65 1HB LEU 65 2.249 5.852 0.265 542 HG LEU 65 HG LEU 65 1.101 3.622 0.731 543 1HD1 LEU 65 1HD1 LEU 65 3.732 2.719 1.138 544 2HD1 LEU 65 2HD1 LEU 65 3.881 4.256 0.285 545 3HD1 LEU 65 3HD1 LEU 65 2.915 2.954 -0.408 546 1HD2 LEU 65 1HD2 LEU 65 2.952 3.456 3.076 547 2HD2 LEU 65 2HD2 LEU 65 1.644 2.369 2.626 548 3HD2 LEU 65 3HD2 LEU 65 1.276 3.965 3.265 549 H GLN 66 H GLN 66 1.056 7.182 3.529 550 HA GLN 66 HA GLN 66 1.207 5.367 5.823 551 1HB GLN 66 2HB GLN 66 2.462 7.833 5.935 552 2HB GLN 66 1HB GLN 66 0.882 8.159 6.649 553 1HG GLN 66 2HG GLN 66 1.214 6.134 8.122 554 2HG GLN 66 1HG GLN 66 2.863 6.030 7.503 555 1HE2 GLN 66 1HE2 GLN 66 0.643 8.217 9.278 556 2HE2 GLN 66 2HE2 GLN 66 1.875 9.081 10.065 557 H LEU 67 H LEU 67 -0.814 4.791 6.347 558 HA LEU 67 HA LEU 67 -3.040 6.675 5.888 559 1HB LEU 67 2HB LEU 67 -3.475 5.389 4.031 560 2HB LEU 67 1HB LEU 67 -2.523 4.035 4.617 561 HG LEU 67 HG LEU 67 -4.777 4.175 6.329 562 1HD1 LEU 67 1HD1 LEU 67 -5.347 5.111 3.599 563 2HD1 LEU 67 2HD1 LEU 67 -6.334 5.227 5.056 564 3HD1 LEU 67 3HD1 LEU 67 -6.337 3.740 4.105 565 1HD2 LEU 67 1HD2 LEU 67 -3.975 2.051 5.858 566 2HD2 LEU 67 2HD2 LEU 67 -3.717 2.418 4.152 567 3HD2 LEU 67 3HD2 LEU 67 -5.347 2.107 4.751 568 H VAL 68 H VAL 68 -4.753 6.298 7.412 569 HA VAL 68 HA VAL 68 -3.879 4.480 9.581 570 HB VAL 68 HB VAL 68 -5.524 6.920 10.182 571 1HG1 VAL 68 1HG1 VAL 68 -3.598 5.181 11.724 572 2HG1 VAL 68 2HG1 VAL 68 -5.350 5.253 11.939 573 3HG1 VAL 68 3HG1 VAL 68 -4.350 6.636 12.366 574 1HG2 VAL 68 1HG2 VAL 68 -2.920 6.943 9.116 575 2HG2 VAL 68 2HG2 VAL 68 -2.749 7.167 10.855 576 3HG2 VAL 68 3HG2 VAL 68 -3.751 8.276 9.918 577 H LEU 69 H LEU 69 -5.469 3.654 10.913 578 HA LEU 69 HA LEU 69 -7.778 2.746 9.430 579 1HB LEU 69 2HB LEU 69 -6.645 2.159 12.177 580 2HB LEU 69 1HB LEU 69 -8.085 1.380 11.543 581 HG LEU 69 HG LEU 69 -5.811 0.154 11.319 582 1HD1 LEU 69 1HD1 LEU 69 -6.460 -0.452 8.852 583 2HD1 LEU 69 2HD1 LEU 69 -7.889 0.520 9.243 584 3HD1 LEU 69 3HD1 LEU 69 -7.500 -0.899 10.213 585 1HD2 LEU 69 1HD2 LEU 69 -4.686 0.661 9.121 586 2HD2 LEU 69 2HD2 LEU 69 -4.404 1.852 10.382 587 3HD2 LEU 69 3HD2 LEU 69 -5.562 2.182 9.100 588 H HIS 70 H HIS 70 -9.973 3.286 10.068 589 HA HIS 70 HA HIS 70 -10.471 5.795 11.182 590 1HB HIS 70 2HB HIS 70 -12.710 4.640 11.933 591 2HB HIS 70 1HB HIS 70 -12.362 4.773 10.209 592 HD1 HIS 70 HD1 HIS 70 -11.968 2.267 13.052 593 HD2 HIS 70 HD2 HIS 70 -12.265 2.331 8.894 594 HE1 HIS 70 HE1 HIS 70 -12.085 -0.150 12.305 595 H ALA 71 H ALA 71 -9.953 2.687 12.560 596 HA ALA 71 HA ALA 71 -10.399 3.373 15.309 597 1HB ALA 71 1HB ALA 71 -9.927 1.180 15.694 598 2HB ALA 71 2HB ALA 71 -8.415 1.261 14.789 599 3HB ALA 71 3HB ALA 71 -9.940 1.017 13.938 600 H GLY 72 H GLY 72 -7.805 2.384 16.311 601 1HA GLY 72 2HA GLY 72 -6.246 4.830 15.782 602 2HA GLY 72 1HA GLY 72 -6.193 3.894 17.279 603 H ASP 73 H ASP 73 -5.957 3.125 13.904 604 HA ASP 73 HA ASP 73 -3.366 1.787 14.471 605 1HB ASP 73 2HB ASP 73 -5.802 0.753 13.082 606 2HB ASP 73 1HB ASP 73 -4.219 0.225 12.508 607 H THR 74 H THR 74 -1.793 2.116 13.015 608 HA THR 74 HA THR 74 -2.483 3.895 10.759 609 HB THR 74 HB THR 74 0.362 3.532 11.500 610 HG1 THR 74 HG1 THR 74 -0.201 5.275 13.161 611 1HG2 THR 74 1HG2 THR 74 -0.028 5.147 9.842 612 2HG2 THR 74 2HG2 THR 74 0.108 6.119 11.308 613 3HG2 THR 74 3HG2 THR 74 -1.482 5.749 10.640 614 H THR 75 H THR 75 -1.325 3.489 8.722 615 HA THR 75 HA THR 75 -0.423 0.704 8.480 616 HB THR 75 HB THR 75 -1.832 2.116 6.233 617 HG1 THR 75 HG1 THR 75 -3.681 0.750 7.251 618 1HG2 THR 75 1HG2 THR 75 -1.768 -0.782 7.113 619 2HG2 THR 75 2HG2 THR 75 -0.654 -0.074 5.943 620 3HG2 THR 75 3HG2 THR 75 -2.378 -0.159 5.580 621 H ASN 76 H ASN 76 1.806 1.136 8.189 622 HA ASN 76 HA ASN 76 2.434 3.407 6.409 623 1HB ASN 76 2HB ASN 76 4.270 2.049 8.400 624 2HB ASN 76 1HB ASN 76 4.548 3.568 7.547 625 1HD2 ASN 76 1HD2 ASN 76 4.406 5.194 9.110 626 2HD2 ASN 76 2HD2 ASN 76 3.154 5.334 10.248 627 H PHE 77 H PHE 77 3.698 2.961 4.604 628 HA PHE 77 HA PHE 77 4.902 0.315 4.450 629 1HB PHE 77 2HB PHE 77 2.343 0.862 3.295 630 2HB PHE 77 1HB PHE 77 3.506 0.541 2.009 631 HD1 PHE 77 HD1 PHE 77 5.395 -1.230 3.271 632 HD2 PHE 77 HD2 PHE 77 1.116 -1.171 3.616 633 HE1 PHE 77 HE1 PHE 77 5.409 -3.635 3.819 634 HE2 PHE 77 HE2 PHE 77 1.128 -3.582 4.151 635 HZ PHE 77 HZ PHE 77 3.296 -4.798 4.244 636 H HIS 78 H HIS 78 6.558 0.194 3.075 637 HA HIS 78 HA HIS 78 7.156 2.575 1.410 638 1HB HIS 78 2HB HIS 78 8.280 3.056 3.454 639 2HB HIS 78 1HB HIS 78 8.857 1.408 3.622 640 HD1 HIS 78 HD1 HIS 78 10.498 0.635 1.592 641 HD2 HIS 78 HD2 HIS 78 10.164 4.733 2.219 642 HE1 HIS 78 HE1 HIS 78 12.527 1.673 0.582 643 H PHE 79 H PHE 79 8.977 2.264 -0.037 644 HA PHE 79 HA PHE 79 9.767 -0.506 -0.650 645 1HB PHE 79 2HB PHE 79 8.882 1.269 -2.872 646 2HB PHE 79 1HB PHE 79 9.032 -0.468 -2.857 647 HD1 PHE 79 HD1 PHE 79 7.009 2.155 -1.002 648 HD2 PHE 79 HD2 PHE 79 7.084 -1.582 -3.111 649 HE1 PHE 79 HE1 PHE 79 4.518 2.007 -0.843 650 HE2 PHE 79 HE2 PHE 79 4.628 -1.757 -2.915 651 HZ PHE 79 HZ PHE 79 3.347 0.024 -1.802 652 H SER 80 H SER 80 11.966 -0.426 -1.780 653 HA SER 80 HA SER 80 12.812 1.890 -3.110 654 1HB SER 80 2HB SER 80 12.840 2.846 -0.804 655 2HB SER 80 1HB SER 80 14.063 1.645 -0.394 656 HG SER 80 HG SER 80 15.304 2.514 -2.152 657 H ASN 81 H ASN 81 13.032 -0.918 -3.534 658 HA ASN 81 HA ASN 81 15.390 -2.141 -2.824 659 1HB ASN 81 2HB ASN 81 13.566 -2.316 -5.085 660 2HB ASN 81 1HB ASN 81 15.229 -2.668 -5.548 661 1HD2 ASN 81 1HD2 ASN 81 14.061 -3.234 -2.280 662 2HD2 ASN 81 2HD2 ASN 81 14.124 -4.913 -2.375 663 H GLU 82 H GLU 82 17.534 -2.087 -3.576 664 HA GLU 82 HA GLU 82 18.779 0.288 -4.011 665 1HB GLU 82 2HB GLU 82 19.602 -2.253 -5.436 666 2HB GLU 82 1HB GLU 82 20.647 -0.937 -4.902 667 1HG GLU 82 2HG GLU 82 19.264 -1.707 -2.595 668 2HG GLU 82 1HG GLU 82 19.665 -3.226 -3.398 669 H SER 83 H SER 83 17.595 -1.877 -6.616 670 HA SER 83 HA SER 83 17.850 0.437 -8.430 671 1HB SER 83 2HB SER 83 18.416 -2.395 -8.692 672 2HB SER 83 1HB SER 83 17.298 -1.849 -9.938 673 HG SER 83 HG SER 83 18.773 -0.236 -10.484 674 H THR 84 H THR 84 15.504 -1.289 -6.658 675 HA THR 84 HA THR 84 13.495 -0.611 -8.726 676 HB THR 84 HB THR 84 13.869 -2.899 -6.912 677 HG1 THR 84 HG1 THR 84 13.632 -2.726 -9.292 678 1HG2 THR 84 1HG2 THR 84 11.516 -3.307 -6.452 679 2HG2 THR 84 2HG2 THR 84 11.067 -1.797 -7.244 680 3HG2 THR 84 3HG2 THR 84 11.973 -1.765 -5.733 681 H ALA 85 H ALA 85 14.814 1.185 -6.748 682 HA ALA 85 HA ALA 85 12.515 1.851 -5.031 683 1HB ALA 85 1HB ALA 85 15.023 1.870 -4.213 684 2HB ALA 85 2HB ALA 85 13.963 3.195 -3.745 685 3HB ALA 85 3HB ALA 85 15.101 3.402 -5.074 686 H VAL 86 H VAL 86 11.622 2.276 -7.415 687 HA VAL 86 HA VAL 86 11.820 5.166 -7.753 688 HB VAL 86 HB VAL 86 12.122 3.654 -10.290 689 1HG1 VAL 86 1HG1 VAL 86 12.063 6.272 -9.647 690 2HG1 VAL 86 2HG1 VAL 86 12.969 5.655 -11.028 691 3HG1 VAL 86 3HG1 VAL 86 13.797 5.985 -9.507 692 1HG2 VAL 86 1HG2 VAL 86 13.742 2.578 -8.660 693 2HG2 VAL 86 2HG2 VAL 86 14.493 4.162 -8.468 694 3HG2 VAL 86 3HG2 VAL 86 14.507 3.364 -10.041 695 H LYS 87 H LYS 87 10.662 5.092 -10.393 696 HA LYS 87 HA LYS 87 8.041 5.464 -10.012 697 1HB LYS 87 2HB LYS 87 9.366 5.644 -12.175 698 2HB LYS 87 1HB LYS 87 9.045 3.925 -12.406 699 1HG LYS 87 2HG LYS 87 6.572 5.124 -11.703 700 2HG LYS 87 1HG LYS 87 7.307 6.158 -12.929 701 1HD LYS 87 2HD LYS 87 6.894 3.161 -13.155 702 2HD LYS 87 1HD LYS 87 5.957 4.399 -13.994 703 1HE LYS 87 2HE LYS 87 7.508 4.530 -15.618 704 2HE LYS 87 1HE LYS 87 8.767 4.866 -14.429 705 1HZ LYS 87 1HZ LYS 87 9.199 2.847 -15.622 706 2HZ LYS 87 2HZ LYS 87 7.806 2.210 -15.159 707 3HZ LYS 87 3HZ LYS 87 8.945 2.512 -14.077 708 H GLU 88 H GLU 88 9.562 2.253 -10.170 709 HA GLU 88 HA GLU 88 7.370 0.659 -10.643 710 1HB GLU 88 2HB GLU 88 8.524 -0.801 -8.735 711 2HB GLU 88 1HB GLU 88 9.321 -0.564 -10.277 712 1HG GLU 88 2HG GLU 88 9.947 1.615 -8.479 713 2HG GLU 88 1HG GLU 88 10.361 0.061 -7.765 714 H ARG 89 H ARG 89 8.440 1.148 -7.335 715 HA ARG 89 HA ARG 89 5.849 0.712 -6.267 716 1HB ARG 89 2HB ARG 89 7.768 2.246 -4.642 717 2HB ARG 89 1HB ARG 89 6.835 0.832 -4.227 718 1HG ARG 89 2HG ARG 89 9.163 0.618 -6.139 719 2HG ARG 89 1HG ARG 89 9.421 0.549 -4.419 720 1HD ARG 89 2HD ARG 89 8.573 -1.540 -4.257 721 2HD ARG 89 1HD ARG 89 7.216 -1.154 -5.315 722 HE ARG 89 HE ARG 89 9.304 -1.272 -7.034 723 1HH1 ARG 89 1HH2 ARG 89 8.177 -3.313 -4.488 724 2HH1 ARG 89 2HH2 ARG 89 8.621 -4.777 -5.293 725 1HH2 ARG 89 1HH1 ARG 89 9.890 -3.177 -8.090 726 2HH2 ARG 89 2HH1 ARG 89 9.591 -4.702 -7.325 727 H ASP 90 H ASP 90 7.756 3.495 -7.148 728 HA ASP 90 HA ASP 90 6.153 5.551 -6.111 729 1HB ASP 90 2HB ASP 90 8.258 5.330 -8.051 730 2HB ASP 90 1HB ASP 90 6.970 6.327 -8.726 731 H ALA 91 H ALA 91 5.375 3.126 -8.379 732 HA ALA 91 HA ALA 91 3.170 4.694 -9.518 733 1HB ALA 91 1HB ALA 91 2.913 2.887 -11.086 734 2HB ALA 91 2HB ALA 91 3.958 1.831 -10.135 735 3HB ALA 91 3HB ALA 91 4.645 3.209 -10.996 736 H VAL 92 H VAL 92 4.104 2.103 -7.379 737 HA VAL 92 HA VAL 92 1.476 1.035 -6.844 738 HB VAL 92 HB VAL 92 4.074 1.176 -5.289 739 1HG1 VAL 92 1HG1 VAL 92 2.892 1.389 -3.356 740 2HG1 VAL 92 2HG1 VAL 92 2.448 -0.297 -3.639 741 3HG1 VAL 92 3HG1 VAL 92 1.361 0.996 -4.140 742 1HG2 VAL 92 1HG2 VAL 92 2.246 -0.992 -6.301 743 2HG2 VAL 92 2HG2 VAL 92 3.483 -1.313 -5.080 744 3HG2 VAL 92 3HG2 VAL 92 3.949 -0.720 -6.682 745 H LYS 93 H LYS 93 3.497 3.525 -5.328 746 HA LYS 93 HA LYS 93 1.553 4.547 -3.553 747 1HB LYS 93 2HB LYS 93 3.612 5.452 -3.079 748 2HB LYS 93 1HB LYS 93 4.138 5.389 -4.757 749 1HG LYS 93 2HG LYS 93 2.470 7.357 -5.130 750 2HG LYS 93 1HG LYS 93 2.523 7.527 -3.375 751 1HD LYS 93 2HD LYS 93 5.072 7.542 -3.594 752 2HD LYS 93 1HD LYS 93 4.821 7.729 -5.331 753 1HE LYS 93 2HE LYS 93 3.854 9.601 -3.153 754 2HE LYS 93 1HE LYS 93 5.092 9.937 -4.363 755 1HZ LYS 93 1HZ LYS 93 3.109 10.857 -5.132 756 2HZ LYS 93 2HZ LYS 93 2.244 9.548 -4.818 757 3HZ LYS 93 3HZ LYS 93 3.311 9.535 -6.011 758 H ASP 94 H ASP 94 2.516 5.433 -6.884 759 HA ASP 94 HA ASP 94 0.710 7.442 -7.458 760 1HB ASP 94 2HB ASP 94 2.519 6.364 -8.958 761 2HB ASP 94 1HB ASP 94 1.262 5.213 -9.413 762 H LEU 95 H LEU 95 0.054 4.083 -6.846 763 HA LEU 95 HA LEU 95 -2.621 4.260 -8.022 764 1HB LEU 95 2HB LEU 95 -0.895 2.126 -6.835 765 2HB LEU 95 1HB LEU 95 -2.644 1.914 -6.730 766 HG LEU 95 HG LEU 95 -2.675 2.508 -9.218 767 1HD1 LEU 95 1HD1 LEU 95 -0.370 3.375 -9.311 768 2HD1 LEU 95 2HD1 LEU 95 -0.627 2.064 -10.462 769 3HD1 LEU 95 3HD1 LEU 95 0.235 1.756 -8.954 770 1HD2 LEU 95 1HD2 LEU 95 -1.225 -0.058 -8.573 771 2HD2 LEU 95 2HD2 LEU 95 -2.429 0.220 -9.831 772 3HD2 LEU 95 3HD2 LEU 95 -2.914 0.190 -8.136 773 H LEU 96 H LEU 96 -1.092 3.763 -4.879 774 HA LEU 96 HA LEU 96 -3.075 3.607 -3.082 775 1HB LEU 96 2HB LEU 96 -0.747 5.551 -3.006 776 2HB LEU 96 1HB LEU 96 -1.632 4.978 -1.607 777 HG LEU 96 HG LEU 96 0.113 3.387 -3.491 778 1HD1 LEU 96 1HD1 LEU 96 0.631 2.739 -0.833 779 2HD1 LEU 96 2HD1 LEU 96 0.359 4.482 -0.816 780 3HD1 LEU 96 3HD1 LEU 96 1.600 3.792 -1.862 781 1HD2 LEU 96 1HD2 LEU 96 -1.799 2.356 -1.369 782 2HD2 LEU 96 2HD2 LEU 96 -0.612 1.372 -2.225 783 3HD2 LEU 96 3HD2 LEU 96 -1.952 2.105 -3.108 784 H GLN 97 H GLN 97 -1.806 6.806 -3.889 785 HA GLN 97 HA GLN 97 -4.067 8.190 -2.841 786 1HB GLN 97 2HB GLN 97 -2.543 9.513 -5.033 787 2HB GLN 97 1HB GLN 97 -3.061 10.158 -3.484 788 1HG GLN 97 2HG GLN 97 -0.810 9.969 -3.056 789 2HG GLN 97 1HG GLN 97 -1.308 8.337 -2.593 790 1HE2 GLN 97 1HE2 GLN 97 -1.960 7.726 -5.470 791 2HE2 GLN 97 2HE2 GLN 97 -0.471 7.375 -6.153 792 H GLN 98 H GLN 98 -4.033 6.224 -5.496 793 HA GLN 98 HA GLN 98 -5.835 7.883 -7.083 794 1HB GLN 98 2HB GLN 98 -3.950 6.067 -7.845 795 2HB GLN 98 1HB GLN 98 -5.395 5.054 -7.828 796 1HG GLN 98 2HG GLN 98 -6.212 7.458 -9.018 797 2HG GLN 98 1HG GLN 98 -4.631 7.114 -9.724 798 1HE2 GLN 98 1HE2 GLN 98 -4.586 5.566 -11.372 799 2HE2 GLN 98 2HE2 GLN 98 -5.854 4.495 -11.725 800 H LEU 99 H LEU 99 -5.780 4.938 -5.099 801 HA LEU 99 HA LEU 99 -8.648 4.535 -5.503 802 1HB LEU 99 2HB LEU 99 -7.455 3.099 -3.250 803 2HB LEU 99 1HB LEU 99 -8.294 2.460 -4.645 804 HG LEU 99 HG LEU 99 -5.968 3.219 -5.807 805 1HD1 LEU 99 1HD1 LEU 99 -4.447 2.045 -3.848 806 2HD1 LEU 99 2HD1 LEU 99 -5.581 3.016 -2.900 807 3HD1 LEU 99 3HD1 LEU 99 -4.573 3.777 -4.128 808 1HD2 LEU 99 1HD2 LEU 99 -7.195 0.763 -4.861 809 2HD2 LEU 99 2HD2 LEU 99 -5.437 0.661 -4.765 810 3HD2 LEU 99 3HD2 LEU 99 -6.216 1.027 -6.304 811 H LEU 100 H LEU 100 -6.466 5.978 -3.202 812 HA LEU 100 HA LEU 100 -7.909 6.067 -0.902 813 1HB LEU 100 2HB LEU 100 -6.051 8.011 -2.222 814 2HB LEU 100 1HB LEU 100 -6.926 8.531 -0.781 815 HG LEU 100 HG LEU 100 -5.140 6.091 -1.023 816 1HD1 LEU 100 1HD1 LEU 100 -3.891 7.401 0.805 817 2HD1 LEU 100 2HD1 LEU 100 -4.855 8.791 0.304 818 3HD1 LEU 100 3HD1 LEU 100 -3.761 8.018 -0.843 819 1HD2 LEU 100 1HD2 LEU 100 -6.350 5.288 0.705 820 2HD2 LEU 100 2HD2 LEU 100 -7.264 6.790 0.842 821 3HD2 LEU 100 3HD2 LEU 100 -5.713 6.623 1.666 822 HA PRO 101 HA PRO 101 -10.450 9.622 -2.907 823 1HB PRO 101 2HB PRO 101 -10.196 8.823 -5.750 824 2HB PRO 101 1HB PRO 101 -10.182 10.448 -5.046 825 1HG PRO 101 2HG PRO 101 -7.948 9.097 -5.968 826 2HG PRO 101 1HG PRO 101 -7.900 10.410 -4.780 827 1HD PRO 101 2HD PRO 101 -7.359 7.588 -4.375 828 2HD PRO 101 1HD PRO 101 -7.153 8.934 -3.244 829 H LYS 102 H LYS 102 -10.457 6.323 -3.336 830 HA LYS 102 HA LYS 102 -13.046 6.062 -4.629 831 1HB LYS 102 2HB LYS 102 -11.277 4.414 -5.023 832 2HB LYS 102 1HB LYS 102 -11.201 4.078 -3.291 833 1HG LYS 102 2HG LYS 102 -12.889 2.624 -3.436 834 2HG LYS 102 1HG LYS 102 -13.921 3.831 -4.209 835 1HD LYS 102 2HD LYS 102 -12.576 3.322 -6.357 836 2HD LYS 102 1HD LYS 102 -12.022 1.879 -5.508 837 1HE LYS 102 2HE LYS 102 -14.481 1.358 -5.064 838 2HE LYS 102 1HE LYS 102 -14.863 2.629 -6.225 839 1HZ LYS 102 1HZ LYS 102 -13.281 0.237 -6.755 840 2HZ LYS 102 2HZ LYS 102 -13.497 1.422 -7.809 841 3HZ LYS 102 3HZ LYS 102 -14.745 0.547 -7.323 842 H PHE 103 H PHE 103 -11.692 5.579 -1.385 843 HA PHE 103 HA PHE 103 -14.420 5.062 -0.403 844 1HB PHE 103 2HB PHE 103 -12.778 4.604 1.754 845 2HB PHE 103 1HB PHE 103 -13.271 3.358 0.608 846 HD1 PHE 103 HD1 PHE 103 -11.836 2.973 -1.453 847 HD2 PHE 103 HD2 PHE 103 -10.502 5.271 1.918 848 HE1 PHE 103 HE1 PHE 103 -9.508 2.776 -2.252 849 HE2 PHE 103 HE2 PHE 103 -8.160 5.064 1.134 850 HZ PHE 103 HZ PHE 103 -7.657 3.820 -0.956 851 H LYS 104 H LYS 104 -12.486 7.642 -0.862 852 HA LYS 104 HA LYS 104 -13.886 9.173 1.140 853 1HB LYS 104 2HB LYS 104 -11.332 10.048 1.703 854 2HB LYS 104 1HB LYS 104 -12.300 9.008 2.736 855 1HG LYS 104 2HG LYS 104 -11.171 7.204 0.948 856 2HG LYS 104 1HG LYS 104 -9.886 8.380 1.195 857 1HD LYS 104 2HD LYS 104 -9.640 6.707 2.898 858 2HD LYS 104 1HD LYS 104 -10.291 8.146 3.679 859 1HE LYS 104 2HE LYS 104 -12.237 6.162 2.593 860 2HE LYS 104 1HE LYS 104 -11.380 5.738 4.073 861 1HZ LYS 104 1HZ LYS 104 -12.872 6.991 5.068 862 2HZ LYS 104 2HZ LYS 104 -13.435 7.615 3.707 863 3HZ LYS 104 3HZ LYS 104 -12.174 8.283 4.430 864 H ARG 105 H ARG 105 -14.553 10.764 -0.212 865 HA ARG 105 HA ARG 105 -12.469 12.103 -1.827 866 1HB ARG 105 2HB ARG 105 -14.002 10.661 -3.222 867 2HB ARG 105 1HB ARG 105 -15.343 11.675 -2.687 868 1HG ARG 105 2HG ARG 105 -14.099 13.673 -3.572 869 2HG ARG 105 1HG ARG 105 -12.904 12.566 -4.249 870 1HD ARG 105 2HD ARG 105 -14.217 12.355 -6.065 871 2HD ARG 105 1HD ARG 105 -15.414 11.557 -5.045 872 HE ARG 105 HE ARG 105 -15.846 14.220 -4.602 873 1HH1 ARG 105 1HH2 ARG 105 -15.591 12.150 -7.357 874 2HH1 ARG 105 2HH2 ARG 105 -16.689 13.082 -8.318 875 1HH2 ARG 105 1HH1 ARG 105 -17.277 15.441 -5.847 876 2HH2 ARG 105 2HH1 ARG 105 -17.642 14.942 -7.465 877 H LYS 106 H LYS 106 -15.907 12.538 -0.906 878 HA LYS 106 HA LYS 106 -15.373 15.380 -0.480 879 1HB LYS 106 2HB LYS 106 -17.959 13.839 -0.131 880 2HB LYS 106 1HB LYS 106 -17.775 15.589 -0.259 881 1HG LYS 106 2HG LYS 106 -16.798 15.253 -2.550 882 2HG LYS 106 1HG LYS 106 -17.198 13.541 -2.416 883 1HD LYS 106 2HD LYS 106 -19.098 14.332 -3.489 884 2HD LYS 106 1HD LYS 106 -19.597 14.479 -1.803 885 1HE LYS 106 2HE LYS 106 -18.328 16.864 -2.160 886 2HE LYS 106 1HE LYS 106 -18.979 16.594 -3.777 887 1HZ LYS 106 1HZ LYS 106 -21.049 16.788 -3.016 888 2HZ LYS 106 2HZ LYS 106 -20.381 17.624 -1.826 889 3HZ LYS 106 3HZ LYS 106 -20.761 16.085 -1.607 890 H ALA 107 H ALA 107 -16.655 16.223 1.609 891 HA ALA 107 HA ALA 107 -16.514 14.420 3.867 892 1HB ALA 107 1HB ALA 107 -14.220 16.006 3.146 893 2HB ALA 107 2HB ALA 107 -14.406 14.886 4.495 894 3HB ALA 107 3HB ALA 107 -14.872 16.576 4.682 895 H ASN 108 H ASN 108 -16.820 15.910 5.956 896 HA ASN 108 HA ASN 108 -18.480 18.241 5.272 897 1HB ASN 108 2HB ASN 108 -20.230 17.434 6.856 898 2HB ASN 108 1HB ASN 108 -20.059 16.389 5.445 899 1HD2 ASN 108 1HD2 ASN 108 -21.099 14.789 7.106 900 2HD2 ASN 108 2HD2 ASN 108 -20.025 13.915 8.089 Start of MODEL 17 1 1H MET 1 1H MET 1 -17.961 -10.456 -16.240 2 2H MET 1 2H MET 1 -17.050 -11.763 -16.396 3 3H MET 1 3H MET 1 -16.872 -10.812 -15.121 4 HA MET 1 HA MET 1 -18.770 -11.493 -14.085 5 1HB MET 1 2HB MET 1 -19.537 -12.127 -16.913 6 2HB MET 1 1HB MET 1 -20.329 -13.007 -15.606 7 1HG MET 1 2HG MET 1 -21.743 -11.194 -15.698 8 2HG MET 1 1HG MET 1 -20.534 -10.528 -14.600 9 1HE MET 1 1HE MET 1 -22.101 -9.223 -18.383 10 2HE MET 1 2HE MET 1 -22.369 -8.314 -16.898 11 3HE MET 1 3HE MET 1 -22.691 -10.045 -16.932 12 H ALA 2 H ALA 2 -16.122 -12.694 -14.595 13 HA ALA 2 HA ALA 2 -16.409 -15.487 -15.042 14 1HB ALA 2 1HB ALA 2 -14.155 -15.495 -14.824 15 2HB ALA 2 2HB ALA 2 -14.221 -14.689 -13.256 16 3HB ALA 2 3HB ALA 2 -14.292 -13.739 -14.740 17 H THR 3 H THR 3 -15.568 -13.875 -11.953 18 HA THR 3 HA THR 3 -17.530 -15.589 -10.604 19 HB THR 3 HB THR 3 -14.609 -15.493 -9.800 20 HG1 THR 3 HG1 THR 3 -16.159 -17.558 -10.972 21 1HG2 THR 3 1HG2 THR 3 -16.834 -15.951 -8.242 22 2HG2 THR 3 2HG2 THR 3 -15.215 -16.558 -7.895 23 3HG2 THR 3 3HG2 THR 3 -16.379 -17.582 -8.735 24 H SER 4 H SER 4 -18.600 -14.333 -9.156 25 HA SER 4 HA SER 4 -17.957 -11.637 -8.704 26 1HB SER 4 2HB SER 4 -19.540 -11.953 -6.692 27 2HB SER 4 1HB SER 4 -20.198 -12.275 -8.294 28 HG SER 4 HG SER 4 -18.976 -14.313 -6.773 29 H SER 5 H SER 5 -15.672 -11.687 -8.124 30 HA SER 5 HA SER 5 -15.278 -12.452 -5.291 31 1HB SER 5 2HB SER 5 -12.806 -12.410 -6.774 32 2HB SER 5 1HB SER 5 -13.524 -13.735 -5.863 33 HG SER 5 HG SER 5 -13.799 -13.048 -8.577 34 H GLU 6 H GLU 6 -13.140 -11.236 -4.521 35 HA GLU 6 HA GLU 6 -13.733 -8.468 -4.642 36 1HB GLU 6 2HB GLU 6 -11.060 -9.618 -3.848 37 2HB GLU 6 1HB GLU 6 -11.854 -8.168 -3.234 38 1HG GLU 6 2HG GLU 6 -12.525 -9.517 -1.531 39 2HG GLU 6 1HG GLU 6 -13.733 -10.077 -2.686 40 H GLU 7 H GLU 7 -12.227 -6.797 -5.440 41 HA GLU 7 HA GLU 7 -10.814 -7.699 -7.885 42 1HB GLU 7 2HB GLU 7 -12.049 -4.966 -7.526 43 2HB GLU 7 1HB GLU 7 -11.531 -5.744 -9.022 44 1HG GLU 7 2HG GLU 7 -13.378 -7.536 -7.971 45 2HG GLU 7 1HG GLU 7 -14.082 -5.959 -7.609 46 H VAL 8 H VAL 8 -8.595 -7.552 -7.348 47 HA VAL 8 HA VAL 8 -7.837 -5.374 -5.566 48 HB VAL 8 HB VAL 8 -6.007 -6.660 -4.973 49 1HG1 VAL 8 1HG1 VAL 8 -8.170 -7.922 -4.603 50 2HG1 VAL 8 2HG1 VAL 8 -6.729 -8.935 -4.679 51 3HG1 VAL 8 3HG1 VAL 8 -7.808 -8.833 -6.069 52 1HG2 VAL 8 1HG2 VAL 8 -4.651 -7.125 -6.745 53 2HG2 VAL 8 2HG2 VAL 8 -6.012 -7.371 -7.841 54 3HG2 VAL 8 3HG2 VAL 8 -5.494 -8.674 -6.772 55 H LEU 9 H LEU 9 -6.035 -4.043 -6.107 56 HA LEU 9 HA LEU 9 -6.037 -3.459 -8.984 57 1HB LEU 9 2HB LEU 9 -6.607 -1.625 -7.497 58 2HB LEU 9 1HB LEU 9 -5.085 -1.823 -6.628 59 HG LEU 9 HG LEU 9 -3.800 -1.130 -8.507 60 1HD1 LEU 9 1HD1 LEU 9 -6.291 -1.826 -9.994 61 2HD1 LEU 9 2HD1 LEU 9 -4.606 -2.121 -10.424 62 3HD1 LEU 9 3HD1 LEU 9 -5.305 -0.517 -10.647 63 1HD2 LEU 9 1HD2 LEU 9 -5.312 0.610 -7.271 64 2HD2 LEU 9 2HD2 LEU 9 -6.215 0.649 -8.786 65 3HD2 LEU 9 3HD2 LEU 9 -4.509 1.096 -8.764 66 H LEU 10 H LEU 10 -3.504 -4.061 -6.387 67 HA LEU 10 HA LEU 10 -1.845 -5.168 -8.418 68 1HB LEU 10 2HB LEU 10 -1.860 -2.566 -8.804 69 2HB LEU 10 1HB LEU 10 -0.706 -2.574 -7.474 70 HG LEU 10 HG LEU 10 0.082 -4.683 -9.160 71 1HD1 LEU 10 1HD1 LEU 10 -1.189 -2.475 -10.638 72 2HD1 LEU 10 2HD1 LEU 10 -0.783 -4.104 -11.178 73 3HD1 LEU 10 3HD1 LEU 10 0.451 -2.844 -11.172 74 1HD2 LEU 10 1HD2 LEU 10 1.071 -2.079 -8.209 75 2HD2 LEU 10 2HD2 LEU 10 1.776 -2.585 -9.744 76 3HD2 LEU 10 3HD2 LEU 10 1.912 -3.625 -8.327 77 H ILE 11 H ILE 11 0.251 -5.752 -7.641 78 HA ILE 11 HA ILE 11 0.644 -5.470 -4.741 79 HB ILE 11 HB ILE 11 -0.428 -7.553 -4.734 80 1HG1 ILE 11 2HG1 ILE 11 2.052 -7.479 -3.868 81 2HG1 ILE 11 1HG1 ILE 11 1.235 -9.027 -3.989 82 1HG2 ILE 11 1HG2 ILE 11 1.046 -8.087 -7.323 83 2HG2 ILE 11 2HG2 ILE 11 -0.694 -7.915 -7.091 84 3HG2 ILE 11 3HG2 ILE 11 0.146 -9.328 -6.451 85 1HD1 ILE 11 1HD1 ILE 11 2.561 -8.235 -6.482 86 2HD1 ILE 11 2HD1 ILE 11 2.641 -9.764 -5.607 87 3HD1 ILE 11 3HD1 ILE 11 3.678 -8.420 -5.131 88 H VAL 12 H VAL 12 2.799 -5.431 -4.151 89 HA VAL 12 HA VAL 12 4.765 -5.894 -6.313 90 HB VAL 12 HB VAL 12 6.119 -4.121 -4.915 91 1HG1 VAL 12 1HG1 VAL 12 5.399 -2.409 -6.434 92 2HG1 VAL 12 2HG1 VAL 12 3.814 -3.159 -6.625 93 3HG1 VAL 12 3HG1 VAL 12 5.245 -3.941 -7.295 94 1HG2 VAL 12 1HG2 VAL 12 4.456 -2.334 -4.126 95 2HG2 VAL 12 2HG2 VAL 12 4.645 -3.748 -3.090 96 3HG2 VAL 12 3HG2 VAL 12 3.240 -3.611 -4.150 97 H LYS 13 H LYS 13 6.210 -7.448 -5.712 98 HA LYS 13 HA LYS 13 5.919 -8.727 -3.197 99 1HB LYS 13 2HB LYS 13 6.849 -9.926 -5.108 100 2HB LYS 13 1HB LYS 13 8.219 -8.816 -5.161 101 1HG LYS 13 2HG LYS 13 8.539 -9.557 -2.652 102 2HG LYS 13 1HG LYS 13 7.599 -10.962 -3.157 103 1HD LYS 13 2HD LYS 13 9.270 -11.027 -5.173 104 2HD LYS 13 1HD LYS 13 10.295 -10.048 -4.123 105 1HE LYS 13 2HE LYS 13 10.076 -11.776 -2.345 106 2HE LYS 13 1HE LYS 13 9.134 -12.769 -3.456 107 1HZ LYS 13 1HZ LYS 13 11.177 -13.541 -3.891 108 2HZ LYS 13 2HZ LYS 13 11.941 -12.194 -3.487 109 3HZ LYS 13 3HZ LYS 13 11.227 -12.310 -4.914 110 H LYS 14 H LYS 14 9.088 -7.504 -4.094 111 HA LYS 14 HA LYS 14 9.932 -7.091 -1.576 112 1HB LYS 14 2HB LYS 14 10.772 -6.223 -4.186 113 2HB LYS 14 1HB LYS 14 11.004 -4.915 -3.026 114 1HG LYS 14 2HG LYS 14 12.973 -6.453 -3.166 115 2HG LYS 14 1HG LYS 14 12.270 -6.375 -1.550 116 1HD LYS 14 2HD LYS 14 11.288 -8.496 -1.733 117 2HD LYS 14 1HD LYS 14 11.353 -8.479 -3.496 118 1HE LYS 14 2HE LYS 14 13.703 -8.745 -1.601 119 2HE LYS 14 1HE LYS 14 13.071 -9.990 -2.679 120 1HZ LYS 14 1HZ LYS 14 13.559 -7.864 -4.257 121 2HZ LYS 14 2HZ LYS 14 14.472 -9.173 -4.145 122 3HZ LYS 14 3HZ LYS 14 14.819 -7.880 -3.269 123 H VAL 15 H VAL 15 9.389 -5.887 0.039 124 HA VAL 15 HA VAL 15 8.741 -3.114 -0.386 125 HB VAL 15 HB VAL 15 6.564 -4.899 0.673 126 1HG1 VAL 15 1HG1 VAL 15 5.487 -2.994 1.643 127 2HG1 VAL 15 2HG1 VAL 15 6.705 -1.897 0.999 128 3HG1 VAL 15 3HG1 VAL 15 7.123 -3.008 2.303 129 1HG2 VAL 15 1HG2 VAL 15 7.103 -3.137 -1.585 130 2HG2 VAL 15 2HG2 VAL 15 5.563 -2.819 -0.801 131 3HG2 VAL 15 3HG2 VAL 15 5.916 -4.427 -1.437 132 H ARG 16 H ARG 16 9.115 -1.871 1.413 133 HA ARG 16 HA ARG 16 10.363 -3.324 3.671 134 1HB ARG 16 2HB ARG 16 12.023 -2.206 2.203 135 2HB ARG 16 1HB ARG 16 11.149 -0.695 2.368 136 1HG ARG 16 2HG ARG 16 12.778 -0.439 4.003 137 2HG ARG 16 1HG ARG 16 11.455 -1.127 4.942 138 1HD ARG 16 2HD ARG 16 13.615 -2.250 5.418 139 2HD ARG 16 1HD ARG 16 12.432 -3.362 4.726 140 HE ARG 16 HE ARG 16 13.764 -2.506 2.534 141 1HH1 ARG 16 1HH2 ARG 16 14.715 -3.704 5.638 142 2HH1 ARG 16 2HH2 ARG 16 16.153 -4.459 5.042 143 1HH2 ARG 16 1HH1 ARG 16 15.633 -3.491 1.757 144 2HH2 ARG 16 2HH1 ARG 16 16.671 -4.341 2.852 145 H GLN 17 H GLN 17 9.664 -2.706 5.612 146 HA GLN 17 HA GLN 17 8.282 -0.138 5.791 147 1HB GLN 17 2HB GLN 17 6.469 -1.305 7.140 148 2HB GLN 17 1HB GLN 17 6.465 -1.666 5.423 149 1HG GLN 17 2HG GLN 17 7.518 -3.772 5.741 150 2HG GLN 17 1HG GLN 17 7.850 -3.414 7.424 151 1HE2 GLN 17 1HE2 GLN 17 4.820 -2.130 6.938 152 2HE2 GLN 17 2HE2 GLN 17 3.880 -3.471 7.371 153 H LYS 18 H LYS 18 8.879 0.870 7.604 154 HA LYS 18 HA LYS 18 11.106 0.478 8.945 155 1HB LYS 18 2HB LYS 18 8.508 1.453 10.124 156 2HB LYS 18 1HB LYS 18 10.025 1.510 11.022 157 1HG LYS 18 2HG LYS 18 11.017 3.005 9.484 158 2HG LYS 18 1HG LYS 18 9.819 2.655 8.239 159 1HD LYS 18 2HD LYS 18 8.736 4.502 8.952 160 2HD LYS 18 1HD LYS 18 8.291 3.562 10.377 161 1HE LYS 18 2HE LYS 18 9.369 5.225 11.505 162 2HE LYS 18 1HE LYS 18 10.818 4.328 11.050 163 1HZ LYS 18 1HZ LYS 18 11.071 6.559 10.391 164 2HZ LYS 18 2HZ LYS 18 9.663 6.596 9.631 165 3HZ LYS 18 3HZ LYS 18 10.862 5.710 9.049 166 H LYS 19 H LYS 19 8.322 -1.602 9.486 167 HA LYS 19 HA LYS 19 9.507 -2.706 11.890 168 1HB LYS 19 2HB LYS 19 7.615 -4.231 11.880 169 2HB LYS 19 1HB LYS 19 7.017 -2.616 11.526 170 1HG LYS 19 2HG LYS 19 7.049 -3.204 9.063 171 2HG LYS 19 1HG LYS 19 7.494 -4.854 9.501 172 1HD LYS 19 2HD LYS 19 4.928 -3.389 10.114 173 2HD LYS 19 1HD LYS 19 5.147 -4.904 9.233 174 1HE LYS 19 2HE LYS 19 4.604 -5.854 11.236 175 2HE LYS 19 1HE LYS 19 6.297 -5.544 11.619 176 1HZ LYS 19 1HZ LYS 19 4.092 -3.729 12.211 177 2HZ LYS 19 2HZ LYS 19 5.627 -3.480 12.587 178 3HZ LYS 19 3HZ LYS 19 4.816 -4.670 13.285 179 H GLN 20 H GLN 20 8.829 -3.869 8.640 180 HA GLN 20 HA GLN 20 11.170 -5.601 8.673 181 1HB GLN 20 2HB GLN 20 8.637 -6.547 9.380 182 2HB GLN 20 1HB GLN 20 8.854 -7.033 7.697 183 1HG GLN 20 2HG GLN 20 11.326 -7.456 9.028 184 2HG GLN 20 1HG GLN 20 10.056 -8.162 10.032 185 1HE2 GLN 20 1HE2 GLN 20 8.868 -9.981 9.180 186 2HE2 GLN 20 2HE2 GLN 20 9.319 -10.765 7.744 187 H ASP 21 H ASP 21 11.384 -6.741 6.508 188 HA ASP 21 HA ASP 21 10.344 -4.964 4.387 189 1HB ASP 21 2HB ASP 21 12.380 -7.006 3.681 190 2HB ASP 21 1HB ASP 21 12.315 -5.306 3.194 191 H GLY 22 H GLY 22 8.925 -5.993 3.075 192 1HA GLY 22 2HA GLY 22 8.624 -8.848 3.063 193 2HA GLY 22 1HA GLY 22 7.391 -8.017 3.985 194 H ALA 23 H ALA 23 6.698 -9.416 1.631 195 HA ALA 23 HA ALA 23 6.558 -7.446 -0.399 196 1HB ALA 23 1HB ALA 23 5.987 -10.304 -0.142 197 2HB ALA 23 2HB ALA 23 6.579 -9.404 -1.538 198 3HB ALA 23 3HB ALA 23 4.851 -9.449 -1.185 199 H LEU 24 H LEU 24 5.023 -6.259 -0.950 200 HA LEU 24 HA LEU 24 2.639 -6.106 0.822 201 1HB LEU 24 2HB LEU 24 4.447 -4.182 -0.235 202 2HB LEU 24 1HB LEU 24 2.848 -3.795 -0.833 203 HG LEU 24 HG LEU 24 3.793 -4.051 2.016 204 1HD1 LEU 24 1HD1 LEU 24 2.892 -1.930 0.137 205 2HD1 LEU 24 2HD1 LEU 24 4.040 -1.832 1.468 206 3HD1 LEU 24 3HD1 LEU 24 2.306 -1.782 1.790 207 1HD2 LEU 24 1HD2 LEU 24 1.011 -4.209 0.866 208 2HD2 LEU 24 2HD2 LEU 24 1.277 -3.487 2.453 209 3HD2 LEU 24 3HD2 LEU 24 1.729 -5.167 2.162 210 H TYR 25 H TYR 25 0.636 -6.331 0.059 211 HA TYR 25 HA TYR 25 0.210 -6.641 -2.862 212 1HB TYR 25 2HB TYR 25 -0.827 -8.024 -0.423 213 2HB TYR 25 1HB TYR 25 -1.967 -7.762 -1.739 214 HD1 TYR 25 HD1 TYR 25 1.294 -9.285 -0.848 215 HD2 TYR 25 HD2 TYR 25 -1.860 -9.012 -3.737 216 HE1 TYR 25 HE1 TYR 25 2.233 -11.242 -2.037 217 HE2 TYR 25 HE2 TYR 25 -0.929 -10.981 -4.943 218 HH TYR 25 HH TYR 25 0.498 -12.885 -4.520 219 H LEU 26 H LEU 26 -1.479 -5.220 -3.743 220 HA LEU 26 HA LEU 26 -2.780 -3.587 -1.667 221 1HB LEU 26 2HB LEU 26 -1.342 -2.890 -4.116 222 2HB LEU 26 1HB LEU 26 -2.975 -2.222 -4.083 223 HG LEU 26 HG LEU 26 -2.573 -1.123 -1.988 224 1HD1 LEU 26 1HD1 LEU 26 -1.343 -2.840 -0.824 225 2HD1 LEU 26 2HD1 LEU 26 -0.329 -1.398 -0.856 226 3HD1 LEU 26 3HD1 LEU 26 -0.006 -2.729 -1.966 227 1HD2 LEU 26 1HD2 LEU 26 -0.461 -0.859 -4.096 228 2HD2 LEU 26 2HD2 LEU 26 -0.243 0.022 -2.584 229 3HD2 LEU 26 3HD2 LEU 26 -1.673 0.311 -3.575 230 H MET 27 H MET 27 -4.980 -3.509 -1.757 231 HA MET 27 HA MET 27 -6.272 -4.839 -4.043 232 1HB MET 27 2HB MET 27 -6.193 -6.171 -1.823 233 2HB MET 27 1HB MET 27 -7.312 -4.955 -1.209 234 1HG MET 27 2HG MET 27 -9.027 -5.624 -2.605 235 2HG MET 27 1HG MET 27 -7.928 -6.234 -3.837 236 1HE MET 27 1HE MET 27 -6.010 -8.331 -1.495 237 2HE MET 27 2HE MET 27 -6.132 -7.763 -3.158 238 3HE MET 27 3HE MET 27 -6.598 -9.415 -2.764 239 H ALA 28 H ALA 28 -8.177 -3.742 -4.734 240 HA ALA 28 HA ALA 28 -8.353 -1.026 -4.489 241 1HB ALA 28 1HB ALA 28 -10.395 -3.168 -4.985 242 2HB ALA 28 2HB ALA 28 -9.844 -1.875 -6.055 243 3HB ALA 28 3HB ALA 28 -10.957 -1.512 -4.736 244 H GLU 29 H GLU 29 -10.351 -3.264 -2.605 245 HA GLU 29 HA GLU 29 -11.059 -1.150 -0.809 246 1HB GLU 29 2HB GLU 29 -12.721 -2.786 -1.321 247 2HB GLU 29 1HB GLU 29 -11.658 -4.103 -0.826 248 1HG GLU 29 2HG GLU 29 -12.065 -3.775 1.399 249 2HG GLU 29 1HG GLU 29 -12.160 -2.022 1.229 250 H ARG 30 H ARG 30 -8.252 -3.184 -0.722 251 HA ARG 30 HA ARG 30 -7.771 -2.148 1.920 252 1HB ARG 30 2HB ARG 30 -7.751 -4.147 3.164 253 2HB ARG 30 1HB ARG 30 -9.255 -4.207 2.261 254 1HG ARG 30 2HG ARG 30 -7.157 -5.359 0.677 255 2HG ARG 30 1HG ARG 30 -7.149 -6.093 2.282 256 1HD ARG 30 2HD ARG 30 -8.705 -7.392 1.037 257 2HD ARG 30 1HD ARG 30 -9.699 -6.306 2.003 258 HE ARG 30 HE ARG 30 -9.230 -4.965 -0.378 259 1HH1 ARG 30 1HH2 ARG 30 -10.517 -8.010 0.641 260 2HH1 ARG 30 2HH2 ARG 30 -11.634 -8.124 -0.676 261 1HH2 ARG 30 1HH1 ARG 30 -10.707 -5.103 -2.093 262 2HH2 ARG 30 2HH1 ARG 30 -11.738 -6.488 -2.221 263 H ILE 31 H ILE 31 -5.689 -2.856 2.772 264 HA ILE 31 HA ILE 31 -3.800 -3.424 0.552 265 HB ILE 31 HB ILE 31 -3.742 -1.589 2.887 266 1HG1 ILE 31 2HG1 ILE 31 -2.493 -1.725 0.133 267 2HG1 ILE 31 1HG1 ILE 31 -3.803 -0.679 0.672 268 1HG2 ILE 31 1HG2 ILE 31 -2.003 -3.263 3.536 269 2HG2 ILE 31 2HG2 ILE 31 -1.307 -1.689 3.149 270 3HG2 ILE 31 3HG2 ILE 31 -1.210 -3.007 1.981 271 1HD1 ILE 31 1HD1 ILE 31 -2.192 0.362 2.309 272 2HD1 ILE 31 2HD1 ILE 31 -1.785 0.647 0.617 273 3HD1 ILE 31 3HD1 ILE 31 -0.906 -0.570 1.542 274 H ALA 32 H ALA 32 -2.482 -5.232 0.734 275 HA ALA 32 HA ALA 32 -2.724 -6.743 3.266 276 1HB ALA 32 1HB ALA 32 -3.552 -7.491 0.688 277 2HB ALA 32 2HB ALA 32 -3.448 -8.524 2.114 278 3HB ALA 32 3HB ALA 32 -2.081 -8.410 1.006 279 H TRP 33 H TRP 33 -0.943 -7.805 4.041 280 HA TRP 33 HA TRP 33 1.584 -7.202 2.588 281 1HB TRP 33 2HB TRP 33 1.299 -5.761 4.595 282 2HB TRP 33 1HB TRP 33 1.250 -7.214 5.583 283 HD1 TRP 33 HD1 TRP 33 3.547 -6.339 2.626 284 HE1 TRP 33 HE1 TRP 33 5.970 -6.497 3.470 285 HE3 TRP 33 HE3 TRP 33 2.835 -7.604 7.530 286 HZ2 TRP 33 HZ2 TRP 33 7.440 -7.067 5.727 287 HZ3 TRP 33 HZ3 TRP 33 4.796 -7.994 8.987 288 HH2 TRP 33 HH2 TRP 33 7.105 -7.745 8.095 289 H ALA 34 H ALA 34 3.114 -8.759 2.582 290 HA ALA 34 HA ALA 34 2.778 -11.156 4.179 291 1HB ALA 34 1HB ALA 34 1.718 -11.069 1.597 292 2HB ALA 34 2HB ALA 34 1.993 -12.498 2.593 293 3HB ALA 34 3HB ALA 34 3.231 -11.966 1.454 294 HA PRO 35 HA PRO 35 7.116 -10.444 3.792 295 1HB PRO 35 2HB PRO 35 7.672 -12.568 5.645 296 2HB PRO 35 1HB PRO 35 7.746 -10.824 5.935 297 1HG PRO 35 2HG PRO 35 5.779 -12.689 6.908 298 2HG PRO 35 1HG PRO 35 5.861 -10.946 7.197 299 1HD PRO 35 2HD PRO 35 4.005 -12.367 5.519 300 2HD PRO 35 1HD PRO 35 4.098 -10.620 5.805 301 H GLU 36 H GLU 36 5.726 -13.732 3.899 302 HA GLU 36 HA GLU 36 7.459 -14.412 1.619 303 1HB GLU 36 2HB GLU 36 7.837 -16.673 2.750 304 2HB GLU 36 1HB GLU 36 8.722 -15.308 3.434 305 1HG GLU 36 2HG GLU 36 6.799 -15.036 5.078 306 2HG GLU 36 1HG GLU 36 6.197 -16.591 4.502 307 H GLY 37 H GLY 37 6.724 -16.974 1.184 308 1HA GLY 37 2HA GLY 37 3.978 -16.680 0.355 309 2HA GLY 37 1HA GLY 37 5.008 -18.087 0.083 310 H LYS 38 H LYS 38 5.610 -17.983 3.109 311 HA LYS 38 HA LYS 38 3.655 -19.921 3.845 312 1HB LYS 38 2HB LYS 38 6.017 -18.649 5.053 313 2HB LYS 38 1HB LYS 38 4.761 -19.075 6.216 314 1HG LYS 38 2HG LYS 38 6.229 -20.985 5.975 315 2HG LYS 38 1HG LYS 38 4.696 -21.375 5.195 316 1HD LYS 38 2HD LYS 38 5.593 -21.290 3.071 317 2HD LYS 38 1HD LYS 38 6.810 -20.095 3.520 318 1HE LYS 38 2HE LYS 38 8.194 -21.727 4.547 319 2HE LYS 38 1HE LYS 38 6.894 -22.919 4.587 320 1HZ LYS 38 1HZ LYS 38 8.695 -22.368 2.520 321 2HZ LYS 38 2HZ LYS 38 7.191 -22.242 1.988 322 3HZ LYS 38 3HZ LYS 38 7.686 -23.602 2.670 323 H ASP 39 H ASP 39 3.483 -16.564 3.649 324 HA ASP 39 HA ASP 39 1.018 -16.597 5.222 325 1HB ASP 39 2HB ASP 39 3.489 -15.443 6.167 326 2HB ASP 39 1HB ASP 39 2.296 -14.170 5.904 327 H ARG 40 H ARG 40 1.324 -16.495 2.460 328 HA ARG 40 HA ARG 40 1.637 -14.378 0.959 329 1HB ARG 40 2HB ARG 40 -1.108 -15.592 0.940 330 2HB ARG 40 1HB ARG 40 -0.169 -14.995 -0.422 331 1HG ARG 40 2HG ARG 40 0.443 -17.155 -0.730 332 2HG ARG 40 1HG ARG 40 1.513 -16.900 0.648 333 1HD ARG 40 2HD ARG 40 0.291 -18.272 1.947 334 2HD ARG 40 1HD ARG 40 -1.207 -17.449 1.522 335 HE ARG 40 HE ARG 40 -0.414 -19.964 0.590 336 1HH1 ARG 40 1HH2 ARG 40 -1.544 -16.941 -0.677 337 2HH1 ARG 40 2HH2 ARG 40 -2.000 -17.619 -2.201 338 1HH2 ARG 40 1HH1 ARG 40 -1.035 -20.839 -1.378 339 2HH2 ARG 40 2HH1 ARG 40 -1.725 -19.815 -2.593 340 H PHE 41 H PHE 41 -0.852 -14.490 3.365 341 HA PHE 41 HA PHE 41 -1.220 -11.599 2.905 342 1HB PHE 41 2HB PHE 41 -3.303 -13.716 3.421 343 2HB PHE 41 1HB PHE 41 -3.615 -12.002 3.722 344 HD1 PHE 41 HD1 PHE 41 -4.399 -14.292 1.417 345 HD2 PHE 41 HD2 PHE 41 -2.161 -10.629 1.644 346 HE1 PHE 41 HE1 PHE 41 -4.735 -13.940 -1.015 347 HE2 PHE 41 HE2 PHE 41 -2.496 -10.275 -0.800 348 HZ PHE 41 HZ PHE 41 -3.781 -11.938 -2.119 349 H THR 42 H THR 42 0.465 -11.455 4.558 350 HA THR 42 HA THR 42 -0.126 -12.320 7.238 351 HB THR 42 HB THR 42 2.167 -11.551 5.866 352 HG1 THR 42 HG1 THR 42 1.484 -12.039 8.528 353 1HG2 THR 42 1HG2 THR 42 3.053 -9.651 7.266 354 2HG2 THR 42 2HG2 THR 42 1.400 -9.350 7.797 355 3HG2 THR 42 3HG2 THR 42 1.824 -9.187 6.091 356 H ILE 43 H ILE 43 -1.128 -9.776 5.259 357 HA ILE 43 HA ILE 43 -2.410 -8.516 7.573 358 HB ILE 43 HB ILE 43 -0.002 -7.494 6.660 359 1HG1 ILE 43 2HG1 ILE 43 -2.251 -6.333 8.294 360 2HG1 ILE 43 1HG1 ILE 43 -0.790 -7.141 8.871 361 1HG2 ILE 43 1HG2 ILE 43 -0.326 -5.581 5.403 362 2HG2 ILE 43 2HG2 ILE 43 -1.943 -5.320 6.040 363 3HG2 ILE 43 3HG2 ILE 43 -1.684 -6.499 4.774 364 1HD1 ILE 43 1HD1 ILE 43 -0.753 -4.598 9.002 365 2HD1 ILE 43 2HD1 ILE 43 -0.714 -4.605 7.238 366 3HD1 ILE 43 3HD1 ILE 43 0.602 -5.339 8.148 367 H SER 44 H SER 44 -4.031 -6.971 7.023 368 HA SER 44 HA SER 44 -4.736 -6.484 4.306 369 1HB SER 44 2HB SER 44 -5.699 -8.547 4.017 370 2HB SER 44 1HB SER 44 -5.964 -8.778 5.742 371 HG SER 44 HG SER 44 -7.658 -7.873 3.875 372 H HIS 45 H HIS 45 -5.166 -4.316 4.815 373 HA HIS 45 HA HIS 45 -7.129 -3.842 6.991 374 1HB HIS 45 2HB HIS 45 -5.895 -1.480 5.835 375 2HB HIS 45 1HB HIS 45 -6.042 -1.936 7.531 376 HD1 HIS 45 HD1 HIS 45 -3.856 -2.373 8.627 377 HD2 HIS 45 HD2 HIS 45 -3.702 -3.093 4.532 378 HE1 HIS 45 HE1 HIS 45 -1.448 -2.947 8.099 379 H MET 46 H MET 46 -9.125 -3.361 6.283 380 HA MET 46 HA MET 46 -9.650 -2.897 3.514 381 1HB MET 46 2HB MET 46 -11.180 -3.384 5.899 382 2HB MET 46 1HB MET 46 -11.855 -2.003 5.041 383 1HG MET 46 2HG MET 46 -12.607 -3.292 3.339 384 2HG MET 46 1HG MET 46 -11.095 -4.197 3.253 385 1HE MET 46 1HE MET 46 -15.033 -5.462 4.872 386 2HE MET 46 2HE MET 46 -14.500 -5.018 3.253 387 3HE MET 46 3HE MET 46 -14.562 -3.794 4.519 388 H TYR 47 H TYR 47 -9.258 -1.061 2.521 389 HA TYR 47 HA TYR 47 -8.361 1.302 3.487 390 1HB TYR 47 2HB TYR 47 -10.066 0.651 1.104 391 2HB TYR 47 1HB TYR 47 -9.695 2.333 1.466 392 HD1 TYR 47 HD1 TYR 47 -8.698 1.428 -1.044 393 HD2 TYR 47 HD2 TYR 47 -6.920 0.778 2.822 394 HE1 TYR 47 HE1 TYR 47 -6.508 1.184 -2.088 395 HE2 TYR 47 HE2 TYR 47 -4.719 0.539 1.750 396 HH TYR 47 HH TYR 47 -4.369 0.603 -1.783 397 H ALA 48 H ALA 48 -11.887 0.517 3.265 398 HA ALA 48 HA ALA 48 -12.660 3.047 4.415 399 1HB ALA 48 1HB ALA 48 -14.089 0.387 4.149 400 2HB ALA 48 2HB ALA 48 -14.312 1.828 3.153 401 3HB ALA 48 3HB ALA 48 -14.845 1.826 4.837 402 H ASP 49 H ASP 49 -11.833 -0.072 5.546 403 HA ASP 49 HA ASP 49 -12.483 0.189 8.322 404 1HB ASP 49 2HB ASP 49 -10.603 -1.635 6.809 405 2HB ASP 49 1HB ASP 49 -10.842 -1.740 8.553 406 H ILE 50 H ILE 50 -10.336 1.833 6.498 407 HA ILE 50 HA ILE 50 -8.715 2.496 8.852 408 HB ILE 50 HB ILE 50 -6.649 2.470 7.524 409 1HG1 ILE 50 2HG1 ILE 50 -8.398 1.332 5.328 410 2HG1 ILE 50 1HG1 ILE 50 -7.739 2.968 5.338 411 1HG2 ILE 50 1HG2 ILE 50 -8.080 0.247 8.418 412 2HG2 ILE 50 2HG2 ILE 50 -6.364 0.283 8.007 413 3HG2 ILE 50 3HG2 ILE 50 -7.550 -0.202 6.797 414 1HD1 ILE 50 1HD1 ILE 50 -6.112 1.874 4.097 415 2HD1 ILE 50 2HD1 ILE 50 -6.320 0.356 4.970 416 3HD1 ILE 50 3HD1 ILE 50 -5.448 1.692 5.720 417 H LYS 51 H LYS 51 -8.399 4.876 8.954 418 HA LYS 51 HA LYS 51 -8.828 6.173 6.351 419 1HB LYS 51 2HB LYS 51 -10.994 6.082 7.754 420 2HB LYS 51 1HB LYS 51 -10.212 7.318 8.746 421 1HG LYS 51 2HG LYS 51 -10.441 7.509 5.735 422 2HG LYS 51 1HG LYS 51 -11.594 8.260 6.844 423 1HD LYS 51 2HD LYS 51 -9.452 9.295 7.943 424 2HD LYS 51 1HD LYS 51 -8.681 8.901 6.405 425 1HE LYS 51 2HE LYS 51 -10.048 10.372 5.199 426 2HE LYS 51 1HE LYS 51 -11.311 10.366 6.430 427 1HZ LYS 51 1HZ LYS 51 -8.672 11.556 6.784 428 2HZ LYS 51 2HZ LYS 51 -9.881 11.617 7.830 429 3HZ LYS 51 3HZ LYS 51 -9.996 12.385 6.431 430 H CYS 52 H CYS 52 -6.964 7.021 6.135 431 HA CYS 52 HA CYS 52 -6.304 9.473 7.081 432 1HB CYS 52 2HB CYS 52 -5.857 8.163 9.256 433 2HB CYS 52 1HB CYS 52 -4.447 7.524 8.418 434 HG CYS 52 HG CYS 52 -4.380 10.476 8.097 435 H GLN 53 H GLN 53 -4.825 10.185 5.520 436 HA GLN 53 HA GLN 53 -3.166 8.054 4.338 437 1HB GLN 53 2HB GLN 53 -4.773 9.929 2.607 438 2HB GLN 53 1HB GLN 53 -3.918 8.463 2.129 439 1HG GLN 53 2HG GLN 53 -6.151 7.745 2.247 440 2HG GLN 53 1HG GLN 53 -5.504 7.267 3.815 441 1HE2 GLN 53 1HE2 GLN 53 -8.209 7.584 3.816 442 2HE2 GLN 53 2HE2 GLN 53 -8.666 9.048 4.544 443 H LYS 54 H LYS 54 -1.194 8.683 3.991 444 HA LYS 54 HA LYS 54 -0.605 11.482 3.337 445 1HB LYS 54 2HB LYS 54 -0.055 11.679 5.580 446 2HB LYS 54 1HB LYS 54 0.215 9.946 5.768 447 1HG LYS 54 2HG LYS 54 2.415 10.083 5.145 448 2HG LYS 54 1HG LYS 54 2.120 11.392 3.998 449 1HD LYS 54 2HD LYS 54 3.098 12.704 5.579 450 2HD LYS 54 1HD LYS 54 1.527 12.616 6.376 451 1HE LYS 54 2HE LYS 54 2.414 10.442 7.459 452 2HE LYS 54 1HE LYS 54 4.007 10.995 6.943 453 1HZ LYS 54 1HZ LYS 54 2.170 12.541 8.600 454 2HZ LYS 54 2HZ LYS 54 3.647 12.986 8.175 455 3HZ LYS 54 3HZ LYS 54 3.440 11.739 9.155 456 H ILE 55 H ILE 55 0.402 11.209 1.370 457 HA ILE 55 HA ILE 55 2.643 9.351 1.264 458 HB ILE 55 HB ILE 55 1.878 8.108 -0.628 459 1HG1 ILE 55 2HG1 ILE 55 0.734 9.753 -1.952 460 2HG1 ILE 55 1HG1 ILE 55 -0.463 8.532 -1.543 461 1HG2 ILE 55 1HG2 ILE 55 -0.496 8.351 1.235 462 2HG2 ILE 55 2HG2 ILE 55 0.980 7.474 1.633 463 3HG2 ILE 55 3HG2 ILE 55 -0.025 6.941 0.286 464 1HD1 ILE 55 1HD1 ILE 55 -0.978 10.051 0.509 465 2HD1 ILE 55 2HD1 ILE 55 -1.597 10.528 -1.072 466 3HD1 ILE 55 3HD1 ILE 55 -0.156 11.305 -0.418 467 H SER 56 H SER 56 4.099 10.916 0.813 468 HA SER 56 HA SER 56 3.548 12.565 -1.585 469 1HB SER 56 2HB SER 56 5.598 13.713 0.054 470 2HB SER 56 1HB SER 56 4.034 14.393 -0.387 471 HG SER 56 HG SER 56 3.584 14.101 1.645 472 HA PRO 57 HA PRO 57 7.681 10.344 -1.671 473 1HB PRO 57 2HB PRO 57 6.997 8.056 -3.229 474 2HB PRO 57 1HB PRO 57 7.580 8.147 -1.563 475 1HG PRO 57 2HG PRO 57 4.917 7.513 -2.465 476 2HG PRO 57 1HG PRO 57 5.544 7.482 -0.821 477 1HD PRO 57 2HD PRO 57 3.765 9.421 -1.970 478 2HD PRO 57 1HD PRO 57 4.439 9.387 -0.331 479 H GLU 58 H GLU 58 6.762 12.382 -3.234 480 HA GLU 58 HA GLU 58 7.158 11.477 -6.013 481 1HB GLU 58 2HB GLU 58 5.518 13.503 -4.774 482 2HB GLU 58 1HB GLU 58 6.648 14.267 -5.893 483 1HG GLU 58 2HG GLU 58 5.666 11.901 -7.145 484 2HG GLU 58 1HG GLU 58 4.278 12.785 -6.510 485 H GLY 59 H GLY 59 8.556 13.158 -3.339 486 1HA GLY 59 2HA GLY 59 11.030 13.499 -4.839 487 2HA GLY 59 1HA GLY 59 10.366 14.930 -4.032 488 H LYS 60 H LYS 60 9.871 11.698 -2.801 489 HA LYS 60 HA LYS 60 11.217 12.523 -0.332 490 1HB LYS 60 2HB LYS 60 9.363 10.206 -0.946 491 2HB LYS 60 1HB LYS 60 10.016 10.580 0.647 492 1HG LYS 60 2HG LYS 60 8.676 12.815 -0.782 493 2HG LYS 60 1HG LYS 60 7.642 11.517 -0.183 494 1HD LYS 60 2HD LYS 60 7.711 12.774 1.735 495 2HD LYS 60 1HD LYS 60 9.191 11.850 1.990 496 1HE LYS 60 2HE LYS 60 10.202 13.849 0.503 497 2HE LYS 60 1HE LYS 60 8.848 14.710 1.233 498 1HZ LYS 60 1HZ LYS 60 9.711 14.404 3.291 499 2HZ LYS 60 2HZ LYS 60 11.072 14.547 2.461 500 3HZ LYS 60 3HZ LYS 60 10.557 13.099 2.910 501 H ALA 61 H ALA 61 11.892 10.382 0.874 502 HA ALA 61 HA ALA 61 14.416 9.652 0.154 503 1HB ALA 61 1HB ALA 61 14.282 7.930 1.715 504 2HB ALA 61 2HB ALA 61 12.633 7.507 1.258 505 3HB ALA 61 3HB ALA 61 12.938 8.953 2.221 506 H LYS 62 H LYS 62 11.695 7.372 -0.436 507 HA LYS 62 HA LYS 62 12.288 7.120 -3.185 508 1HB LYS 62 2HB LYS 62 12.996 4.606 -2.905 509 2HB LYS 62 1HB LYS 62 14.222 5.860 -2.871 510 1HG LYS 62 2HG LYS 62 12.861 5.076 -0.323 511 2HG LYS 62 1HG LYS 62 14.106 4.011 -0.965 512 1HD LYS 62 2HD LYS 62 15.123 6.651 -1.107 513 2HD LYS 62 1HD LYS 62 14.395 6.468 0.491 514 1HE LYS 62 2HE LYS 62 16.729 5.748 0.577 515 2HE LYS 62 1HE LYS 62 15.675 4.350 0.790 516 1HZ LYS 62 1HZ LYS 62 17.214 3.723 -0.789 517 2HZ LYS 62 2HZ LYS 62 17.165 5.112 -1.582 518 3HZ LYS 62 3HZ LYS 62 15.932 4.095 -1.673 519 H ILE 63 H ILE 63 9.795 7.397 -1.984 520 HA ILE 63 HA ILE 63 7.775 6.574 -2.298 521 HB ILE 63 HB ILE 63 8.417 5.218 -4.155 522 1HG1 ILE 63 2HG1 ILE 63 6.793 3.188 -3.074 523 2HG1 ILE 63 1HG1 ILE 63 6.296 4.700 -2.294 524 1HG2 ILE 63 1HG2 ILE 63 9.417 3.414 -2.017 525 2HG2 ILE 63 2HG2 ILE 63 9.927 3.551 -3.709 526 3HG2 ILE 63 3HG2 ILE 63 8.481 2.652 -3.295 527 1HD1 ILE 63 1HD1 ILE 63 5.164 4.111 -4.543 528 2HD1 ILE 63 2HD1 ILE 63 6.707 4.535 -5.283 529 3HD1 ILE 63 3HD1 ILE 63 5.806 5.744 -4.368 530 H GLN 64 H GLN 64 7.511 7.082 -0.238 531 HA GLN 64 HA GLN 64 7.056 4.740 1.535 532 1HB GLN 64 2HB GLN 64 7.283 6.798 3.307 533 2HB GLN 64 1HB GLN 64 8.608 5.713 2.902 534 1HG GLN 64 2HG GLN 64 9.201 7.326 1.022 535 2HG GLN 64 1HG GLN 64 8.043 8.449 1.736 536 1HE2 GLN 64 1HE2 GLN 64 10.348 6.228 3.385 537 2HE2 GLN 64 2HE2 GLN 64 11.167 7.459 4.220 538 H LEU 65 H LEU 65 4.933 4.617 2.252 539 HA LEU 65 HA LEU 65 3.344 7.091 1.993 540 1HB LEU 65 2HB LEU 65 1.391 5.692 1.297 541 2HB LEU 65 1HB LEU 65 2.701 5.701 0.130 542 HG LEU 65 HG LEU 65 1.684 3.447 0.497 543 1HD1 LEU 65 1HD1 LEU 65 4.405 4.158 0.345 544 2HD1 LEU 65 2HD1 LEU 65 3.651 2.646 -0.152 545 3HD1 LEU 65 3HD1 LEU 65 4.300 2.808 1.474 546 1HD2 LEU 65 1HD2 LEU 65 3.103 3.324 3.131 547 2HD2 LEU 65 2HD2 LEU 65 1.808 2.300 2.518 548 3HD2 LEU 65 3HD2 LEU 65 1.455 3.942 3.055 549 H GLN 66 H GLN 66 1.258 6.926 3.376 550 HA GLN 66 HA GLN 66 1.547 5.124 5.665 551 1HB GLN 66 2HB GLN 66 2.603 7.718 5.743 552 2HB GLN 66 1HB GLN 66 1.074 7.819 6.616 553 1HG GLN 66 2HG GLN 66 1.726 5.922 8.028 554 2HG GLN 66 1HG GLN 66 3.236 5.757 7.130 555 1HE2 GLN 66 1HE2 GLN 66 4.330 8.197 6.953 556 2HE2 GLN 66 2HE2 GLN 66 4.492 8.951 8.465 557 H LEU 67 H LEU 67 -0.394 4.570 6.484 558 HA LEU 67 HA LEU 67 -2.763 6.237 5.871 559 1HB LEU 67 2HB LEU 67 -2.202 3.903 4.521 560 2HB LEU 67 1HB LEU 67 -3.163 3.306 5.873 561 HG LEU 67 HG LEU 67 -4.088 5.692 4.285 562 1HD1 LEU 67 1HD1 LEU 67 -3.815 2.950 3.341 563 2HD1 LEU 67 2HD1 LEU 67 -4.300 4.393 2.451 564 3HD1 LEU 67 3HD1 LEU 67 -5.503 3.466 3.349 565 1HD2 LEU 67 1HD2 LEU 67 -5.880 5.490 5.643 566 2HD2 LEU 67 2HD2 LEU 67 -5.037 4.204 6.507 567 3HD2 LEU 67 3HD2 LEU 67 -6.095 3.810 5.152 568 H VAL 68 H VAL 68 -4.438 5.965 7.518 569 HA VAL 68 HA VAL 68 -3.440 4.425 9.819 570 HB VAL 68 HB VAL 68 -4.882 7.024 10.233 571 1HG1 VAL 68 1HG1 VAL 68 -3.642 6.764 12.435 572 2HG1 VAL 68 2HG1 VAL 68 -3.238 5.136 11.902 573 3HG1 VAL 68 3HG1 VAL 68 -4.927 5.593 12.147 574 1HG2 VAL 68 1HG2 VAL 68 -2.422 6.869 9.070 575 2HG2 VAL 68 2HG2 VAL 68 -2.007 6.820 10.784 576 3HG2 VAL 68 3HG2 VAL 68 -2.921 8.184 10.136 577 H LEU 69 H LEU 69 -4.973 3.811 11.303 578 HA LEU 69 HA LEU 69 -7.382 2.872 10.001 579 1HB LEU 69 2HB LEU 69 -6.193 2.361 12.739 580 2HB LEU 69 1HB LEU 69 -7.465 1.410 12.002 581 HG LEU 69 HG LEU 69 -4.707 0.931 11.843 582 1HD1 LEU 69 1HD1 LEU 69 -5.486 -0.623 9.884 583 2HD1 LEU 69 2HD1 LEU 69 -7.092 -0.115 10.424 584 3HD1 LEU 69 3HD1 LEU 69 -6.002 -0.930 11.546 585 1HD2 LEU 69 1HD2 LEU 69 -5.665 2.183 9.289 586 2HD2 LEU 69 2HD2 LEU 69 -4.400 0.957 9.293 587 3HD2 LEU 69 3HD2 LEU 69 -4.161 2.470 10.164 588 H HIS 70 H HIS 70 -9.508 3.474 10.713 589 HA HIS 70 HA HIS 70 -9.971 5.982 11.801 590 1HB HIS 70 2HB HIS 70 -12.148 4.873 12.711 591 2HB HIS 70 1HB HIS 70 -11.888 4.860 10.966 592 HD1 HIS 70 HD1 HIS 70 -11.734 2.618 13.997 593 HD2 HIS 70 HD2 HIS 70 -11.453 2.303 9.850 594 HE1 HIS 70 HE1 HIS 70 -11.779 0.143 13.462 595 H ALA 71 H ALA 71 -9.165 2.971 13.225 596 HA ALA 71 HA ALA 71 -9.482 3.767 15.980 597 1HB ALA 71 1HB ALA 71 -9.428 1.356 15.011 598 2HB ALA 71 2HB ALA 71 -8.570 1.653 16.522 599 3HB ALA 71 3HB ALA 71 -7.676 1.553 15.006 600 H GLY 72 H GLY 72 -6.854 2.838 16.860 601 1HA GLY 72 2HA GLY 72 -5.301 5.217 16.082 602 2HA GLY 72 1HA GLY 72 -5.183 4.390 17.639 603 H ASP 73 H ASP 73 -5.168 3.302 14.350 604 HA ASP 73 HA ASP 73 -2.521 2.064 14.852 605 1HB ASP 73 2HB ASP 73 -5.008 0.845 13.681 606 2HB ASP 73 1HB ASP 73 -3.416 0.229 13.233 607 H THR 74 H THR 74 -1.056 2.486 13.334 608 HA THR 74 HA THR 74 -2.019 3.895 10.934 609 HB THR 74 HB THR 74 0.859 3.876 11.714 610 HG1 THR 74 HG1 THR 74 0.063 5.855 12.995 611 1HG2 THR 74 1HG2 THR 74 0.773 5.360 10.018 612 2HG2 THR 74 2HG2 THR 74 -0.037 6.452 11.141 613 3HG2 THR 74 3HG2 THR 74 -0.989 5.421 10.073 614 H THR 75 H THR 75 -0.766 3.420 8.919 615 HA THR 75 HA THR 75 0.431 0.748 8.960 616 HB THR 75 HB THR 75 -1.681 1.795 7.042 617 HG1 THR 75 HG1 THR 75 -2.556 0.894 8.883 618 1HG2 THR 75 1HG2 THR 75 -1.173 0.108 5.568 619 2HG2 THR 75 2HG2 THR 75 -0.578 -0.963 6.837 620 3HG2 THR 75 3HG2 THR 75 0.437 0.352 6.245 621 H ASN 76 H ASN 76 2.534 1.456 8.479 622 HA ASN 76 HA ASN 76 2.744 3.499 6.359 623 1HB ASN 76 2HB ASN 76 4.836 2.641 8.377 624 2HB ASN 76 1HB ASN 76 4.922 4.017 7.277 625 1HD2 ASN 76 1HD2 ASN 76 5.176 5.356 9.313 626 2HD2 ASN 76 2HD2 ASN 76 3.786 5.784 10.187 627 H PHE 77 H PHE 77 4.138 3.025 4.598 628 HA PHE 77 HA PHE 77 5.437 0.418 4.687 629 1HB PHE 77 2HB PHE 77 2.922 0.823 3.377 630 2HB PHE 77 1HB PHE 77 4.166 0.476 2.183 631 HD1 PHE 77 HD1 PHE 77 5.988 -1.294 3.245 632 HD2 PHE 77 HD2 PHE 77 1.787 -1.120 4.092 633 HE1 PHE 77 HE1 PHE 77 6.030 -3.673 3.887 634 HE2 PHE 77 HE2 PHE 77 1.821 -3.515 4.720 635 HZ PHE 77 HZ PHE 77 3.970 -4.773 4.603 636 H HIS 78 H HIS 78 7.026 0.187 3.268 637 HA HIS 78 HA HIS 78 7.693 2.482 1.526 638 1HB HIS 78 2HB HIS 78 8.811 2.807 3.721 639 2HB HIS 78 1HB HIS 78 9.601 1.253 3.536 640 HD1 HIS 78 HD1 HIS 78 11.559 1.079 1.938 641 HD2 HIS 78 HD2 HIS 78 9.810 4.862 1.854 642 HE1 HIS 78 HE1 HIS 78 13.050 2.562 0.542 643 H PHE 79 H PHE 79 9.515 2.003 0.128 644 HA PHE 79 HA PHE 79 9.827 -0.870 -0.520 645 1HB PHE 79 2HB PHE 79 9.466 1.394 -2.476 646 2HB PHE 79 1HB PHE 79 9.606 -0.300 -2.857 647 HD1 PHE 79 HD1 PHE 79 7.413 2.339 -1.430 648 HD2 PHE 79 HD2 PHE 79 7.700 -1.774 -2.629 649 HE1 PHE 79 HE1 PHE 79 4.916 2.147 -1.339 650 HE2 PHE 79 HE2 PHE 79 5.240 -1.979 -2.498 651 HZ PHE 79 HZ PHE 79 3.858 -0.049 -1.858 652 H SER 80 H SER 80 12.192 -1.277 -1.207 653 HA SER 80 HA SER 80 13.738 1.027 -1.863 654 1HB SER 80 2HB SER 80 13.312 0.805 0.792 655 2HB SER 80 1HB SER 80 14.730 -0.231 0.626 656 HG SER 80 HG SER 80 15.901 1.453 -0.015 657 H ASN 81 H ASN 81 15.337 0.232 -3.168 658 HA ASN 81 HA ASN 81 16.573 -2.334 -2.548 659 1HB ASN 81 2HB ASN 81 15.562 -1.949 -5.348 660 2HB ASN 81 1HB ASN 81 15.938 -3.447 -4.493 661 1HD2 ASN 81 1HD2 ASN 81 14.422 -3.918 -2.566 662 2HD2 ASN 81 2HD2 ASN 81 12.792 -3.500 -2.743 663 H GLU 82 H GLU 82 17.497 -2.244 -5.481 664 HA GLU 82 HA GLU 82 19.525 -0.153 -5.031 665 1HB GLU 82 2HB GLU 82 20.907 -1.408 -6.599 666 2HB GLU 82 1HB GLU 82 20.316 -2.508 -5.353 667 1HG GLU 82 2HG GLU 82 18.555 -3.312 -6.831 668 2HG GLU 82 1HG GLU 82 19.008 -2.132 -8.063 669 H SER 83 H SER 83 17.159 -1.423 -7.350 670 HA SER 83 HA SER 83 17.139 1.214 -8.614 671 1HB SER 83 2HB SER 83 18.062 -1.300 -9.928 672 2HB SER 83 1HB SER 83 17.181 -0.109 -10.877 673 HG SER 83 HG SER 83 19.217 0.815 -9.214 674 H THR 84 H THR 84 15.258 -1.074 -7.242 675 HA THR 84 HA THR 84 13.144 -0.611 -9.265 676 HB THR 84 HB THR 84 14.181 -3.087 -8.118 677 HG1 THR 84 HG1 THR 84 12.511 -2.237 -10.188 678 1HG2 THR 84 1HG2 THR 84 11.199 -2.632 -7.849 679 2HG2 THR 84 2HG2 THR 84 12.336 -2.887 -6.527 680 3HG2 THR 84 3HG2 THR 84 12.020 -4.182 -7.678 681 H ALA 85 H ALA 85 14.182 0.632 -6.601 682 HA ALA 85 HA ALA 85 11.774 0.304 -4.976 683 1HB ALA 85 1HB ALA 85 13.539 0.313 -3.540 684 2HB ALA 85 2HB ALA 85 13.190 2.042 -3.556 685 3HB ALA 85 3HB ALA 85 14.502 1.396 -4.544 686 H VAL 86 H VAL 86 11.760 2.044 -7.635 687 HA VAL 86 HA VAL 86 10.667 4.375 -6.232 688 HB VAL 86 HB VAL 86 12.350 4.340 -8.750 689 1HG1 VAL 86 1HG1 VAL 86 11.736 6.954 -7.678 690 2HG1 VAL 86 2HG1 VAL 86 10.245 6.082 -8.036 691 3HG1 VAL 86 3HG1 VAL 86 11.448 6.329 -9.302 692 1HG2 VAL 86 1HG2 VAL 86 14.056 5.221 -7.480 693 2HG2 VAL 86 2HG2 VAL 86 13.249 4.299 -6.212 694 3HG2 VAL 86 3HG2 VAL 86 12.951 6.030 -6.369 695 H LYS 87 H LYS 87 10.768 4.114 -9.716 696 HA LYS 87 HA LYS 87 8.240 4.721 -10.350 697 1HB LYS 87 2HB LYS 87 10.058 2.665 -11.581 698 2HB LYS 87 1HB LYS 87 8.473 3.009 -12.276 699 1HG LYS 87 2HG LYS 87 9.559 5.532 -11.789 700 2HG LYS 87 1HG LYS 87 10.920 4.588 -12.396 701 1HD LYS 87 2HD LYS 87 8.404 4.145 -13.863 702 2HD LYS 87 1HD LYS 87 9.030 5.790 -13.987 703 1HE LYS 87 2HE LYS 87 11.116 5.037 -14.865 704 2HE LYS 87 1HE LYS 87 10.778 3.362 -14.426 705 1HZ LYS 87 1HZ LYS 87 9.758 4.892 -16.631 706 2HZ LYS 87 2HZ LYS 87 8.769 3.816 -15.980 707 3HZ LYS 87 3HZ LYS 87 10.178 3.348 -16.576 708 H GLU 88 H GLU 88 9.025 1.254 -10.288 709 HA GLU 88 HA GLU 88 6.609 0.103 -10.377 710 1HB GLU 88 2HB GLU 88 7.511 -1.454 -8.421 711 2HB GLU 88 1HB GLU 88 8.244 -1.482 -10.020 712 1HG GLU 88 2HG GLU 88 9.420 0.625 -8.419 713 2HG GLU 88 1HG GLU 88 9.530 -0.926 -7.594 714 H ARG 89 H ARG 89 7.946 0.852 -7.219 715 HA ARG 89 HA ARG 89 5.542 0.656 -5.782 716 1HB ARG 89 2HB ARG 89 7.458 2.729 -4.871 717 2HB ARG 89 1HB ARG 89 6.774 1.367 -3.988 718 1HG ARG 89 2HG ARG 89 9.054 1.269 -5.985 719 2HG ARG 89 1HG ARG 89 9.157 0.988 -4.264 720 1HD ARG 89 2HD ARG 89 7.523 -0.927 -4.560 721 2HD ARG 89 1HD ARG 89 7.731 -0.741 -6.296 722 HE ARG 89 HE ARG 89 10.263 -0.957 -5.477 723 1HH1 ARG 89 1HH2 ARG 89 7.344 -2.725 -4.945 724 2HH1 ARG 89 2HH2 ARG 89 8.153 -4.226 -4.651 725 1HH2 ARG 89 1HH1 ARG 89 11.326 -2.909 -5.051 726 2HH2 ARG 89 2HH1 ARG 89 10.400 -4.332 -4.722 727 H ASP 90 H ASP 90 7.120 3.275 -7.450 728 HA ASP 90 HA ASP 90 5.420 5.408 -6.794 729 1HB ASP 90 2HB ASP 90 7.559 5.040 -8.510 730 2HB ASP 90 1HB ASP 90 6.219 5.324 -9.621 731 H ALA 91 H ALA 91 4.791 2.504 -8.492 732 HA ALA 91 HA ALA 91 2.402 3.618 -9.794 733 1HB ALA 91 1HB ALA 91 2.768 1.977 -11.309 734 2HB ALA 91 2HB ALA 91 2.614 0.767 -10.035 735 3HB ALA 91 3HB ALA 91 4.191 1.466 -10.401 736 H VAL 92 H VAL 92 3.580 1.465 -7.269 737 HA VAL 92 HA VAL 92 1.082 0.420 -6.407 738 HB VAL 92 HB VAL 92 3.704 0.998 -5.010 739 1HG1 VAL 92 1HG1 VAL 92 1.049 0.601 -3.813 740 2HG1 VAL 92 2HG1 VAL 92 2.539 1.182 -3.071 741 3HG1 VAL 92 3HG1 VAL 92 2.255 -0.551 -3.241 742 1HG2 VAL 92 1HG2 VAL 92 2.480 -1.238 -6.373 743 2HG2 VAL 92 2HG2 VAL 92 2.828 -1.666 -4.696 744 3HG2 VAL 92 3HG2 VAL 92 4.122 -1.089 -5.746 745 H LYS 93 H LYS 93 2.998 3.210 -5.308 746 HA LYS 93 HA LYS 93 1.051 4.348 -3.656 747 1HB LYS 93 2HB LYS 93 3.115 5.373 -3.429 748 2HB LYS 93 1HB LYS 93 3.437 5.333 -5.165 749 1HG LYS 93 2HG LYS 93 2.165 7.237 -5.590 750 2HG LYS 93 1HG LYS 93 1.186 7.036 -4.135 751 1HD LYS 93 2HD LYS 93 3.064 7.699 -2.733 752 2HD LYS 93 1HD LYS 93 4.126 7.768 -4.140 753 1HE LYS 93 2HE LYS 93 1.809 9.581 -3.464 754 2HE LYS 93 1HE LYS 93 3.489 10.022 -3.769 755 1HZ LYS 93 1HZ LYS 93 2.269 10.486 -5.693 756 2HZ LYS 93 2HZ LYS 93 1.548 9.058 -5.714 757 3HZ LYS 93 3HZ LYS 93 3.112 9.169 -6.035 758 H ASP 94 H ASP 94 1.842 4.927 -7.094 759 HA ASP 94 HA ASP 94 -0.057 6.699 -7.882 760 1HB ASP 94 2HB ASP 94 1.578 5.551 -9.385 761 2HB ASP 94 1HB ASP 94 0.533 4.132 -9.369 762 H LEU 95 H LEU 95 -0.658 3.415 -6.741 763 HA LEU 95 HA LEU 95 -3.423 3.518 -7.686 764 1HB LEU 95 2HB LEU 95 -2.465 1.565 -5.631 765 2HB LEU 95 1HB LEU 95 -3.604 1.325 -6.952 766 HG LEU 95 HG LEU 95 -0.598 1.457 -7.084 767 1HD1 LEU 95 1HD1 LEU 95 -0.886 -0.768 -7.109 768 2HD1 LEU 95 2HD1 LEU 95 -1.717 -0.597 -8.655 769 3HD1 LEU 95 3HD1 LEU 95 -2.638 -0.579 -7.150 770 1HD2 LEU 95 1HD2 LEU 95 -1.105 2.766 -8.960 771 2HD2 LEU 95 2HD2 LEU 95 -2.660 1.974 -9.212 772 3HD2 LEU 95 3HD2 LEU 95 -1.168 1.143 -9.647 773 H LEU 96 H LEU 96 -1.613 3.559 -4.632 774 HA LEU 96 HA LEU 96 -3.497 3.770 -2.716 775 1HB LEU 96 2HB LEU 96 -1.097 5.590 -3.083 776 2HB LEU 96 1HB LEU 96 -2.017 5.464 -1.590 777 HG LEU 96 HG LEU 96 -0.078 3.539 -2.793 778 1HD1 LEU 96 1HD1 LEU 96 -0.130 3.099 -0.136 779 2HD1 LEU 96 2HD1 LEU 96 -0.789 4.735 -0.174 780 3HD1 LEU 96 3HD1 LEU 96 0.796 4.406 -0.878 781 1HD2 LEU 96 1HD2 LEU 96 -2.184 2.247 -2.883 782 2HD2 LEU 96 2HD2 LEU 96 -2.503 2.643 -1.194 783 3HD2 LEU 96 3HD2 LEU 96 -1.122 1.630 -1.617 784 H GLN 97 H GLN 97 -2.337 6.661 -4.426 785 HA GLN 97 HA GLN 97 -4.515 8.262 -3.425 786 1HB GLN 97 2HB GLN 97 -3.852 9.966 -4.965 787 2HB GLN 97 1HB GLN 97 -2.410 9.298 -4.212 788 1HG GLN 97 2HG GLN 97 -3.120 7.854 -6.631 789 2HG GLN 97 1HG GLN 97 -2.909 9.577 -6.958 790 1HE2 GLN 97 1HE2 GLN 97 -1.303 6.664 -5.903 791 2HE2 GLN 97 2HE2 GLN 97 0.265 7.298 -5.865 792 H GLN 98 H GLN 98 -4.615 5.851 -5.634 793 HA GLN 98 HA GLN 98 -6.650 7.121 -7.311 794 1HB GLN 98 2HB GLN 98 -4.671 5.511 -8.053 795 2HB GLN 98 1HB GLN 98 -5.849 4.265 -7.629 796 1HG GLN 98 2HG GLN 98 -7.233 6.288 -9.076 797 2HG GLN 98 1HG GLN 98 -5.772 5.894 -9.984 798 1HE2 GLN 98 1HE2 GLN 98 -5.482 3.150 -9.398 799 2HE2 GLN 98 2HE2 GLN 98 -6.816 2.299 -10.012 800 H LEU 99 H LEU 99 -6.303 4.659 -4.793 801 HA LEU 99 HA LEU 99 -9.132 3.904 -5.108 802 1HB LEU 99 2HB LEU 99 -7.796 2.853 -2.739 803 2HB LEU 99 1HB LEU 99 -8.563 1.974 -4.042 804 HG LEU 99 HG LEU 99 -6.316 2.817 -5.303 805 1HD1 LEU 99 1HD1 LEU 99 -4.625 2.129 -3.318 806 2HD1 LEU 99 2HD1 LEU 99 -5.899 2.901 -2.365 807 3HD1 LEU 99 3HD1 LEU 99 -5.092 3.794 -3.646 808 1HD2 LEU 99 1HD2 LEU 99 -6.454 0.561 -5.527 809 2HD2 LEU 99 2HD2 LEU 99 -7.232 0.375 -3.956 810 3HD2 LEU 99 3HD2 LEU 99 -5.474 0.480 -4.063 811 H LEU 100 H LEU 100 -6.994 5.678 -3.001 812 HA LEU 100 HA LEU 100 -8.425 5.920 -0.707 813 1HB LEU 100 2HB LEU 100 -6.528 7.641 -2.174 814 2HB LEU 100 1HB LEU 100 -7.571 8.501 -1.041 815 HG LEU 100 HG LEU 100 -6.919 6.948 0.755 816 1HD1 LEU 100 1HD1 LEU 100 -4.639 5.758 -0.589 817 2HD1 LEU 100 2HD1 LEU 100 -6.142 5.311 -1.393 818 3HD1 LEU 100 3HD1 LEU 100 -5.926 4.971 0.323 819 1HD2 LEU 100 1HD2 LEU 100 -4.330 7.506 0.584 820 2HD2 LEU 100 2HD2 LEU 100 -5.510 8.797 0.814 821 3HD2 LEU 100 3HD2 LEU 100 -4.855 8.477 -0.791 822 HA PRO 101 HA PRO 101 -11.016 9.296 -2.999 823 1HB PRO 101 2HB PRO 101 -10.857 8.166 -5.734 824 2HB PRO 101 1HB PRO 101 -10.821 9.863 -5.227 825 1HG PRO 101 2HG PRO 101 -8.618 8.454 -6.081 826 2HG PRO 101 1HG PRO 101 -8.527 9.843 -4.984 827 1HD PRO 101 2HD PRO 101 -8.074 7.009 -4.409 828 2HD PRO 101 1HD PRO 101 -7.668 8.427 -3.426 829 H LYS 102 H LYS 102 -11.012 5.937 -3.121 830 HA LYS 102 HA LYS 102 -13.680 5.586 -4.220 831 1HB LYS 102 2HB LYS 102 -11.979 3.889 -4.609 832 2HB LYS 102 1HB LYS 102 -11.724 3.728 -2.868 833 1HG LYS 102 2HG LYS 102 -13.419 2.290 -2.673 834 2HG LYS 102 1HG LYS 102 -14.522 3.391 -3.505 835 1HD LYS 102 2HD LYS 102 -13.754 2.590 -5.674 836 2HD LYS 102 1HD LYS 102 -12.532 1.578 -4.901 837 1HE LYS 102 2HE LYS 102 -14.027 -0.071 -4.566 838 2HE LYS 102 1HE LYS 102 -15.138 1.041 -3.767 839 1HZ LYS 102 1HZ LYS 102 -16.354 0.685 -5.567 840 2HZ LYS 102 2HZ LYS 102 -15.142 0.133 -6.454 841 3HZ LYS 102 3HZ LYS 102 -15.376 1.710 -6.314 842 H PHE 103 H PHE 103 -12.129 5.310 -1.038 843 HA PHE 103 HA PHE 103 -14.807 4.946 0.141 844 1HB PHE 103 2HB PHE 103 -13.128 4.371 2.195 845 2HB PHE 103 1HB PHE 103 -13.636 3.160 1.014 846 HD1 PHE 103 HD1 PHE 103 -12.233 2.715 -0.985 847 HD2 PHE 103 HD2 PHE 103 -10.866 5.167 2.263 848 HE1 PHE 103 HE1 PHE 103 -9.931 2.549 -1.845 849 HE2 PHE 103 HE2 PHE 103 -8.535 4.986 1.416 850 HZ PHE 103 HZ PHE 103 -8.069 3.680 -0.647 851 H LYS 104 H LYS 104 -12.637 7.368 -0.417 852 HA LYS 104 HA LYS 104 -13.816 8.979 1.695 853 1HB LYS 104 2HB LYS 104 -11.377 7.747 2.221 854 2HB LYS 104 1HB LYS 104 -10.925 9.366 1.684 855 1HG LYS 104 2HG LYS 104 -11.263 9.544 4.042 856 2HG LYS 104 1HG LYS 104 -12.700 10.248 3.299 857 1HD LYS 104 2HD LYS 104 -13.874 8.078 3.567 858 2HD LYS 104 1HD LYS 104 -12.453 7.424 4.377 859 1HE LYS 104 2HE LYS 104 -13.368 8.193 6.296 860 2HE LYS 104 1HE LYS 104 -12.941 9.807 5.728 861 1HZ LYS 104 1HZ LYS 104 -15.456 8.463 5.120 862 2HZ LYS 104 2HZ LYS 104 -15.072 9.968 4.733 863 3HZ LYS 104 3HZ LYS 104 -15.281 9.566 6.268 864 H ARG 105 H ARG 105 -14.599 10.464 0.237 865 HA ARG 105 HA ARG 105 -12.666 12.182 -1.058 866 1HB ARG 105 2HB ARG 105 -12.771 10.543 -2.802 867 2HB ARG 105 1HB ARG 105 -14.525 10.415 -2.663 868 1HG ARG 105 2HG ARG 105 -14.901 12.388 -3.792 869 2HG ARG 105 1HG ARG 105 -13.391 13.113 -3.241 870 1HD ARG 105 2HD ARG 105 -13.301 12.608 -5.657 871 2HD ARG 105 1HD ARG 105 -12.123 11.647 -4.763 872 HE ARG 105 HE ARG 105 -14.330 10.042 -4.848 873 1HH1 ARG 105 1HH2 ARG 105 -12.451 11.820 -7.141 874 2HH1 ARG 105 2HH2 ARG 105 -12.732 10.700 -8.431 875 1HH2 ARG 105 1HH1 ARG 105 -14.701 8.578 -6.525 876 2HH2 ARG 105 2HH1 ARG 105 -14.003 8.868 -8.083 877 H LYS 106 H LYS 106 -14.069 13.250 0.776 878 HA LYS 106 HA LYS 106 -16.783 13.853 0.293 879 1HB LYS 106 2HB LYS 106 -15.369 14.221 2.429 880 2HB LYS 106 1HB LYS 106 -14.863 15.730 1.667 881 1HG LYS 106 2HG LYS 106 -16.735 16.575 2.656 882 2HG LYS 106 1HG LYS 106 -17.562 15.843 1.280 883 1HD LYS 106 2HD LYS 106 -18.465 14.176 2.545 884 2HD LYS 106 1HD LYS 106 -17.015 14.007 3.535 885 1HE LYS 106 2HE LYS 106 -18.585 14.890 5.047 886 2HE LYS 106 1HE LYS 106 -17.695 16.319 4.519 887 1HZ LYS 106 1HZ LYS 106 -19.593 17.106 3.793 888 2HZ LYS 106 2HZ LYS 106 -20.388 15.782 4.211 889 3HZ LYS 106 3HZ LYS 106 -19.744 15.900 2.751 890 H ALA 107 H ALA 107 -17.727 15.365 -1.032 891 HA ALA 107 HA ALA 107 -16.185 17.589 -2.070 892 1HB ALA 107 1HB ALA 107 -16.704 16.898 -4.466 893 2HB ALA 107 2HB ALA 107 -17.061 15.292 -3.832 894 3HB ALA 107 3HB ALA 107 -15.440 15.966 -3.664 895 H ASN 108 H ASN 108 -18.760 16.866 -0.591 896 HA ASN 108 HA ASN 108 -20.945 17.466 -2.295 897 1HB ASN 108 2HB ASN 108 -20.456 17.173 0.584 898 2HB ASN 108 1HB ASN 108 -21.695 18.371 0.205 899 1HD2 ASN 108 1HD2 ASN 108 -21.456 15.190 0.966 900 2HD2 ASN 108 2HD2 ASN 108 -22.758 14.565 0.074 Start of MODEL 18 1 1H MET 1 1H MET 1 -17.346 -8.817 -18.611 2 2H MET 1 2H MET 1 -18.040 -9.594 -17.395 3 3H MET 1 3H MET 1 -16.448 -9.623 -17.558 4 HA MET 1 HA MET 1 -16.502 -7.136 -17.314 5 1HB MET 1 2HB MET 1 -19.201 -7.612 -17.399 6 2HB MET 1 1HB MET 1 -18.916 -7.516 -15.660 7 1HG MET 1 2HG MET 1 -17.670 -5.362 -16.062 8 2HG MET 1 1HG MET 1 -18.197 -5.437 -17.743 9 1HE MET 1 1HE MET 1 -19.565 -3.751 -18.265 10 2HE MET 1 2HE MET 1 -21.248 -3.580 -17.774 11 3HE MET 1 3HE MET 1 -20.714 -5.064 -18.558 12 H ALA 2 H ALA 2 -17.564 -9.933 -15.409 13 HA ALA 2 HA ALA 2 -15.708 -9.019 -13.288 14 1HB ALA 2 1HB ALA 2 -18.476 -9.595 -13.111 15 2HB ALA 2 2HB ALA 2 -17.358 -9.283 -11.783 16 3HB ALA 2 3HB ALA 2 -17.634 -10.936 -12.334 17 H THR 3 H THR 3 -14.234 -10.554 -12.552 18 HA THR 3 HA THR 3 -14.338 -13.166 -13.944 19 HB THR 3 HB THR 3 -11.858 -11.822 -12.858 20 HG1 THR 3 HG1 THR 3 -11.556 -10.961 -14.847 21 1HG2 THR 3 1HG2 THR 3 -10.988 -13.829 -13.388 22 2HG2 THR 3 2HG2 THR 3 -11.312 -13.442 -15.078 23 3HG2 THR 3 3HG2 THR 3 -12.498 -14.347 -14.138 24 H SER 4 H SER 4 -13.695 -11.487 -10.891 25 HA SER 4 HA SER 4 -14.052 -14.089 -9.543 26 1HB SER 4 2HB SER 4 -11.599 -13.106 -9.714 27 2HB SER 4 1HB SER 4 -12.158 -12.064 -8.409 28 HG SER 4 HG SER 4 -11.201 -14.122 -7.764 29 H SER 5 H SER 5 -13.501 -12.541 -6.975 30 HA SER 5 HA SER 5 -16.189 -11.334 -6.830 31 1HB SER 5 2HB SER 5 -14.350 -12.542 -4.764 32 2HB SER 5 1HB SER 5 -15.743 -11.563 -4.315 33 HG SER 5 HG SER 5 -16.063 -13.919 -4.512 34 H GLU 6 H GLU 6 -13.364 -10.756 -4.754 35 HA GLU 6 HA GLU 6 -13.890 -7.955 -4.701 36 1HB GLU 6 2HB GLU 6 -11.276 -9.270 -3.969 37 2HB GLU 6 1HB GLU 6 -11.970 -7.790 -3.311 38 1HG GLU 6 2HG GLU 6 -12.692 -9.153 -1.636 39 2HG GLU 6 1HG GLU 6 -13.968 -9.569 -2.780 40 H GLU 7 H GLU 7 -12.297 -6.308 -5.404 41 HA GLU 7 HA GLU 7 -10.920 -7.140 -7.892 42 1HB GLU 7 2HB GLU 7 -12.048 -4.381 -7.424 43 2HB GLU 7 1HB GLU 7 -11.576 -5.129 -8.950 44 1HG GLU 7 2HG GLU 7 -13.499 -6.867 -7.934 45 2HG GLU 7 1HG GLU 7 -14.127 -5.267 -7.535 46 H VAL 8 H VAL 8 -8.678 -7.083 -7.317 47 HA VAL 8 HA VAL 8 -7.910 -4.984 -5.441 48 HB VAL 8 HB VAL 8 -6.060 -6.307 -4.921 49 1HG1 VAL 8 1HG1 VAL 8 -7.048 -8.242 -4.235 50 2HG1 VAL 8 2HG1 VAL 8 -7.584 -8.662 -5.861 51 3HG1 VAL 8 3HG1 VAL 8 -8.505 -7.504 -4.901 52 1HG2 VAL 8 1HG2 VAL 8 -4.778 -6.889 -6.700 53 2HG2 VAL 8 2HG2 VAL 8 -6.171 -6.966 -7.781 54 3HG2 VAL 8 3HG2 VAL 8 -5.762 -8.351 -6.770 55 H LEU 9 H LEU 9 -6.073 -3.652 -5.944 56 HA LEU 9 HA LEU 9 -6.060 -3.031 -8.812 57 1HB LEU 9 2HB LEU 9 -6.648 -1.211 -7.336 58 2HB LEU 9 1HB LEU 9 -5.150 -1.416 -6.434 59 HG LEU 9 HG LEU 9 -3.820 -0.753 -8.310 60 1HD1 LEU 9 1HD1 LEU 9 -4.692 -1.678 -10.238 61 2HD1 LEU 9 2HD1 LEU 9 -5.295 -0.031 -10.424 62 3HD1 LEU 9 3HD1 LEU 9 -6.355 -1.293 -9.796 63 1HD2 LEU 9 1HD2 LEU 9 -4.559 1.512 -8.639 64 2HD2 LEU 9 2HD2 LEU 9 -5.084 1.043 -7.022 65 3HD2 LEU 9 3HD2 LEU 9 -6.241 1.068 -8.352 66 H LEU 10 H LEU 10 -3.529 -3.701 -6.222 67 HA LEU 10 HA LEU 10 -1.856 -4.624 -8.383 68 1HB LEU 10 2HB LEU 10 -1.829 -1.978 -8.313 69 2HB LEU 10 1HB LEU 10 -0.669 -2.255 -7.016 70 HG LEU 10 HG LEU 10 0.689 -3.655 -8.503 71 1HD1 LEU 10 1HD1 LEU 10 -0.045 -3.481 -11.021 72 2HD1 LEU 10 2HD1 LEU 10 -1.648 -3.207 -10.338 73 3HD1 LEU 10 3HD1 LEU 10 -0.783 -4.702 -9.984 74 1HD2 LEU 10 1HD2 LEU 10 1.049 -1.792 -10.346 75 2HD2 LEU 10 2HD2 LEU 10 1.443 -1.457 -8.660 76 3HD2 LEU 10 3HD2 LEU 10 -0.076 -0.877 -9.342 77 H ILE 11 H ILE 11 0.312 -5.254 -7.630 78 HA ILE 11 HA ILE 11 0.539 -5.547 -4.714 79 HB ILE 11 HB ILE 11 -0.413 -7.631 -5.199 80 1HG1 ILE 11 2HG1 ILE 11 2.015 -7.680 -4.226 81 2HG1 ILE 11 1HG1 ILE 11 1.293 -9.187 -4.774 82 1HG2 ILE 11 1HG2 ILE 11 1.206 -7.605 -7.761 83 2HG2 ILE 11 2HG2 ILE 11 -0.538 -7.385 -7.617 84 3HG2 ILE 11 3HG2 ILE 11 0.188 -8.945 -7.233 85 1HD1 ILE 11 1HD1 ILE 11 2.648 -7.775 -6.942 86 2HD1 ILE 11 2HD1 ILE 11 2.836 -9.444 -6.404 87 3HD1 ILE 11 3HD1 ILE 11 3.739 -8.155 -5.609 88 H VAL 12 H VAL 12 2.682 -5.471 -4.033 89 HA VAL 12 HA VAL 12 4.711 -5.391 -6.180 90 HB VAL 12 HB VAL 12 5.902 -3.728 -4.555 91 1HG1 VAL 12 1HG1 VAL 12 4.517 -3.481 -6.883 92 2HG1 VAL 12 2HG1 VAL 12 5.317 -2.133 -6.074 93 3HG1 VAL 12 3HG1 VAL 12 3.590 -2.403 -5.840 94 1HG2 VAL 12 1HG2 VAL 12 3.405 -2.482 -3.876 95 2HG2 VAL 12 2HG2 VAL 12 4.712 -2.981 -2.805 96 3HG2 VAL 12 3HG2 VAL 12 3.431 -4.108 -3.208 97 H LYS 13 H LYS 13 5.642 -7.284 -5.905 98 HA LYS 13 HA LYS 13 6.071 -8.794 -3.649 99 1HB LYS 13 2HB LYS 13 7.303 -10.118 -5.039 100 2HB LYS 13 1HB LYS 13 6.518 -9.110 -6.241 101 1HG LYS 13 2HG LYS 13 9.259 -8.535 -5.091 102 2HG LYS 13 1HG LYS 13 8.981 -9.370 -6.617 103 1HD LYS 13 2HD LYS 13 7.466 -6.870 -6.388 104 2HD LYS 13 1HD LYS 13 9.213 -6.633 -6.326 105 1HE LYS 13 2HE LYS 13 9.135 -6.750 -8.588 106 2HE LYS 13 1HE LYS 13 8.938 -8.487 -8.351 107 1HZ LYS 13 1HZ LYS 13 7.107 -8.002 -9.544 108 2HZ LYS 13 2HZ LYS 13 6.943 -6.514 -8.980 109 3HZ LYS 13 3HZ LYS 13 6.489 -7.761 -8.087 110 H LYS 14 H LYS 14 7.579 -5.888 -4.448 111 HA LYS 14 HA LYS 14 9.696 -6.464 -2.457 112 1HB LYS 14 2HB LYS 14 9.957 -5.427 -5.105 113 2HB LYS 14 1HB LYS 14 10.369 -4.140 -3.971 114 1HG LYS 14 2HG LYS 14 12.337 -5.554 -4.546 115 2HG LYS 14 1HG LYS 14 11.953 -5.601 -2.824 116 1HD LYS 14 2HD LYS 14 10.938 -7.747 -3.002 117 2HD LYS 14 1HD LYS 14 10.883 -7.658 -4.763 118 1HE LYS 14 2HE LYS 14 13.499 -7.424 -4.536 119 2HE LYS 14 1HE LYS 14 13.230 -8.179 -2.965 120 1HZ LYS 14 1HZ LYS 14 12.345 -10.031 -3.988 121 2HZ LYS 14 2HZ LYS 14 13.603 -9.684 -4.913 122 3HZ LYS 14 3HZ LYS 14 12.125 -9.311 -5.401 123 H VAL 15 H VAL 15 9.271 -5.495 -0.564 124 HA VAL 15 HA VAL 15 8.769 -2.659 -0.678 125 HB VAL 15 HB VAL 15 6.571 -4.436 0.308 126 1HG1 VAL 15 1HG1 VAL 15 5.629 -2.628 1.537 127 2HG1 VAL 15 2HG1 VAL 15 6.836 -1.496 0.942 128 3HG1 VAL 15 3HG1 VAL 15 7.295 -2.745 2.102 129 1HG2 VAL 15 1HG2 VAL 15 5.467 -2.350 -0.925 130 2HG2 VAL 15 2HG2 VAL 15 6.100 -3.728 -1.826 131 3HG2 VAL 15 3HG2 VAL 15 7.066 -2.263 -1.662 132 H ARG 16 H ARG 16 9.266 -1.563 1.183 133 HA ARG 16 HA ARG 16 10.593 -3.177 3.273 134 1HB ARG 16 2HB ARG 16 12.260 -2.135 1.822 135 2HB ARG 16 1HB ARG 16 11.450 -0.585 1.958 136 1HG ARG 16 2HG ARG 16 13.213 -0.436 3.518 137 2HG ARG 16 1HG ARG 16 11.798 -0.824 4.496 138 1HD ARG 16 2HD ARG 16 13.774 -2.199 5.114 139 2HD ARG 16 1HD ARG 16 12.434 -3.188 4.530 140 HE ARG 16 HE ARG 16 13.877 -2.769 2.275 141 1HH1 ARG 16 1HH2 ARG 16 14.623 -3.787 5.496 142 2HH1 ARG 16 2HH2 ARG 16 15.931 -4.806 5.002 143 1HH2 ARG 16 1HH1 ARG 16 15.574 -4.099 1.630 144 2HH2 ARG 16 2HH1 ARG 16 16.468 -4.985 2.820 145 H GLN 17 H GLN 17 9.884 -2.709 5.266 146 HA GLN 17 HA GLN 17 8.714 -0.037 5.654 147 1HB GLN 17 2HB GLN 17 6.819 -0.984 6.814 148 2HB GLN 17 1HB GLN 17 6.930 -1.792 5.263 149 1HG GLN 17 2HG GLN 17 8.546 -3.270 6.959 150 2HG GLN 17 1HG GLN 17 7.130 -2.882 7.924 151 1HE2 GLN 17 1HE2 GLN 17 5.054 -3.719 7.218 152 2HE2 GLN 17 2HE2 GLN 17 4.937 -4.914 6.020 153 H LYS 18 H LYS 18 9.366 0.831 7.542 154 HA LYS 18 HA LYS 18 11.651 0.323 8.757 155 1HB LYS 18 2HB LYS 18 9.176 1.556 9.715 156 2HB LYS 18 1HB LYS 18 10.201 0.956 11.020 157 1HG LYS 18 2HG LYS 18 11.169 3.028 10.728 158 2HG LYS 18 1HG LYS 18 12.105 2.116 9.543 159 1HD LYS 18 2HD LYS 18 10.521 2.802 7.771 160 2HD LYS 18 1HD LYS 18 9.609 3.736 8.958 161 1HE LYS 18 2HE LYS 18 12.491 4.326 8.945 162 2HE LYS 18 1HE LYS 18 11.674 4.730 7.436 163 1HZ LYS 18 1HZ LYS 18 11.364 5.897 10.013 164 2HZ LYS 18 2HZ LYS 18 9.989 5.651 9.231 165 3HZ LYS 18 3HZ LYS 18 11.137 6.548 8.568 166 H LYS 19 H LYS 19 8.864 -1.771 9.246 167 HA LYS 19 HA LYS 19 10.098 -3.071 11.518 168 1HB LYS 19 2HB LYS 19 8.091 -4.169 11.745 169 2HB LYS 19 1HB LYS 19 7.505 -2.899 10.683 170 1HG LYS 19 2HG LYS 19 7.659 -4.368 8.733 171 2HG LYS 19 1HG LYS 19 8.513 -5.587 9.663 172 1HD LYS 19 2HD LYS 19 5.953 -5.830 9.149 173 2HD LYS 19 1HD LYS 19 6.577 -6.282 10.742 174 1HE LYS 19 2HE LYS 19 5.654 -3.460 10.265 175 2HE LYS 19 1HE LYS 19 4.462 -4.723 10.573 176 1HZ LYS 19 1HZ LYS 19 4.970 -4.539 12.684 177 2HZ LYS 19 2HZ LYS 19 6.109 -3.452 12.396 178 3HZ LYS 19 3HZ LYS 19 6.475 -5.010 12.403 179 H GLN 20 H GLN 20 9.307 -4.038 8.242 180 HA GLN 20 HA GLN 20 11.694 -5.687 8.031 181 1HB GLN 20 2HB GLN 20 8.890 -6.680 8.231 182 2HB GLN 20 1HB GLN 20 10.015 -7.525 7.163 183 1HG GLN 20 2HG GLN 20 11.352 -6.894 9.601 184 2HG GLN 20 1HG GLN 20 9.837 -7.709 9.992 185 1HE2 GLN 20 1HE2 GLN 20 12.954 -8.493 9.628 186 2HE2 GLN 20 2HE2 GLN 20 12.828 -10.004 8.865 187 H ASP 21 H ASP 21 11.791 -6.721 5.812 188 HA ASP 21 HA ASP 21 10.619 -4.832 3.878 189 1HB ASP 21 2HB ASP 21 12.417 -6.444 2.489 190 2HB ASP 21 1HB ASP 21 12.781 -4.815 3.052 191 H GLY 22 H GLY 22 9.167 -5.775 2.510 192 1HA GLY 22 2HA GLY 22 8.869 -8.624 2.356 193 2HA GLY 22 1HA GLY 22 7.659 -7.845 3.351 194 H ALA 23 H ALA 23 6.917 -9.130 0.955 195 HA ALA 23 HA ALA 23 6.653 -7.084 -1.024 196 1HB ALA 23 1HB ALA 23 5.122 -8.894 -2.050 197 2HB ALA 23 2HB ALA 23 5.678 -9.921 -0.729 198 3HB ALA 23 3HB ALA 23 6.834 -9.284 -1.896 199 H LEU 24 H LEU 24 5.043 -5.898 -1.358 200 HA LEU 24 HA LEU 24 2.832 -5.883 0.610 201 1HB LEU 24 2HB LEU 24 4.531 -3.908 -0.522 202 2HB LEU 24 1HB LEU 24 2.893 -3.520 -1.007 203 HG LEU 24 HG LEU 24 4.034 -3.798 1.761 204 1HD1 LEU 24 1HD1 LEU 24 2.369 -1.589 1.577 205 2HD1 LEU 24 2HD1 LEU 24 3.050 -1.691 -0.044 206 3HD1 LEU 24 3HD1 LEU 24 4.118 -1.557 1.348 207 1HD2 LEU 24 1HD2 LEU 24 2.047 -4.946 2.132 208 2HD2 LEU 24 2HD2 LEU 24 1.208 -4.132 0.811 209 3HD2 LEU 24 3HD2 LEU 24 1.498 -3.282 2.330 210 H TYR 25 H TYR 25 0.768 -6.114 0.008 211 HA TYR 25 HA TYR 25 0.138 -6.383 -2.879 212 1HB TYR 25 2HB TYR 25 -0.767 -7.741 -0.373 213 2HB TYR 25 1HB TYR 25 -1.977 -7.468 -1.622 214 HD1 TYR 25 HD1 TYR 25 -1.968 -8.682 -3.657 215 HD2 TYR 25 HD2 TYR 25 1.275 -9.082 -0.877 216 HE1 TYR 25 HE1 TYR 25 -1.155 -10.681 -4.891 217 HE2 TYR 25 HE2 TYR 25 2.104 -11.064 -2.111 218 HH TYR 25 HH TYR 25 0.872 -12.878 -3.700 219 H LEU 26 H LEU 26 -1.557 -4.886 -3.650 220 HA LEU 26 HA LEU 26 -2.702 -3.278 -1.475 221 1HB LEU 26 2HB LEU 26 -1.176 -1.939 -2.833 222 2HB LEU 26 1HB LEU 26 -1.930 -2.530 -4.315 223 HG LEU 26 HG LEU 26 -3.693 -1.242 -2.279 224 1HD1 LEU 26 1HD1 LEU 26 -2.477 0.664 -2.276 225 2HD1 LEU 26 2HD1 LEU 26 -2.917 0.835 -3.975 226 3HD1 LEU 26 3HD1 LEU 26 -1.398 0.057 -3.531 227 1HD2 LEU 26 1HD2 LEU 26 -4.826 -2.041 -4.186 228 2HD2 LEU 26 2HD2 LEU 26 -3.534 -1.538 -5.275 229 3HD2 LEU 26 3HD2 LEU 26 -4.593 -0.332 -4.547 230 H MET 27 H MET 27 -4.935 -3.151 -1.532 231 HA MET 27 HA MET 27 -6.299 -4.373 -3.844 232 1HB MET 27 2HB MET 27 -6.107 -5.832 -1.702 233 2HB MET 27 1HB MET 27 -7.226 -4.672 -0.988 234 1HG MET 27 2HG MET 27 -8.982 -5.344 -2.301 235 2HG MET 27 1HG MET 27 -7.941 -5.770 -3.658 236 1HE MET 27 1HE MET 27 -9.983 -7.182 -3.471 237 2HE MET 27 2HE MET 27 -10.338 -8.345 -2.196 238 3HE MET 27 3HE MET 27 -9.392 -8.845 -3.596 239 H ALA 28 H ALA 28 -8.204 -3.243 -4.400 240 HA ALA 28 HA ALA 28 -8.441 -0.562 -3.952 241 1HB ALA 28 1HB ALA 28 -10.422 -2.725 -4.551 242 2HB ALA 28 2HB ALA 28 -9.986 -1.305 -5.506 243 3HB ALA 28 3HB ALA 28 -11.050 -1.135 -4.110 244 H GLU 29 H GLU 29 -10.276 -2.996 -2.149 245 HA GLU 29 HA GLU 29 -10.987 -1.044 -0.170 246 1HB GLU 29 2HB GLU 29 -12.478 -2.884 -0.951 247 2HB GLU 29 1HB GLU 29 -11.422 -4.026 -0.121 248 1HG GLU 29 2HG GLU 29 -12.662 -3.669 1.729 249 2HG GLU 29 1HG GLU 29 -11.952 -2.057 1.794 250 H ARG 30 H ARG 30 -8.153 -3.070 -0.347 251 HA ARG 30 HA ARG 30 -7.587 -2.226 2.358 252 1HB ARG 30 2HB ARG 30 -7.396 -4.352 3.382 253 2HB ARG 30 1HB ARG 30 -8.968 -4.348 2.601 254 1HG ARG 30 2HG ARG 30 -6.968 -5.261 0.752 255 2HG ARG 30 1HG ARG 30 -6.843 -6.172 2.257 256 1HD ARG 30 2HD ARG 30 -8.456 -7.363 0.980 257 2HD ARG 30 1HD ARG 30 -9.406 -6.410 2.115 258 HE ARG 30 HE ARG 30 -9.110 -4.812 -0.130 259 1HH1 ARG 30 1HH2 ARG 30 -10.258 -7.990 0.610 260 2HH1 ARG 30 2HH2 ARG 30 -11.464 -7.985 -0.632 261 1HH2 ARG 30 1HH1 ARG 30 -10.692 -4.798 -1.751 262 2HH2 ARG 30 2HH1 ARG 30 -11.711 -6.182 -1.964 263 H ILE 31 H ILE 31 -5.460 -2.858 3.064 264 HA ILE 31 HA ILE 31 -3.649 -3.241 0.746 265 HB ILE 31 HB ILE 31 -3.583 -1.407 3.061 266 1HG1 ILE 31 2HG1 ILE 31 -2.329 -1.609 0.314 267 2HG1 ILE 31 1HG1 ILE 31 -3.625 -0.539 0.839 268 1HG2 ILE 31 1HG2 ILE 31 -0.976 -2.709 2.194 269 2HG2 ILE 31 2HG2 ILE 31 -1.804 -3.122 3.694 270 3HG2 ILE 31 3HG2 ILE 31 -1.197 -1.486 3.445 271 1HD1 ILE 31 1HD1 ILE 31 -0.745 -0.446 1.770 272 2HD1 ILE 31 2HD1 ILE 31 -2.034 0.593 2.379 273 3HD1 ILE 31 3HD1 ILE 31 -1.526 0.712 0.694 274 H ALA 32 H ALA 32 -2.445 -5.077 0.730 275 HA ALA 32 HA ALA 32 -2.417 -6.684 3.217 276 1HB ALA 32 1HB ALA 32 -2.903 -7.343 0.390 277 2HB ALA 32 2HB ALA 32 -3.433 -8.182 1.848 278 3HB ALA 32 3HB ALA 32 -1.804 -8.443 1.223 279 H TRP 33 H TRP 33 -0.514 -7.908 3.676 280 HA TRP 33 HA TRP 33 1.892 -6.982 2.241 281 1HB TRP 33 2HB TRP 33 1.612 -5.631 4.306 282 2HB TRP 33 1HB TRP 33 1.593 -7.127 5.245 283 HD1 TRP 33 HD1 TRP 33 3.829 -6.037 2.308 284 HE1 TRP 33 HE1 TRP 33 6.270 -6.247 3.086 285 HE3 TRP 33 HE3 TRP 33 3.229 -7.707 7.109 286 HZ2 TRP 33 HZ2 TRP 33 7.782 -6.980 5.252 287 HZ3 TRP 33 HZ3 TRP 33 5.228 -8.207 8.479 288 HH2 TRP 33 HH2 TRP 33 7.512 -7.866 7.547 289 H ALA 34 H ALA 34 3.436 -8.585 2.077 290 HA ALA 34 HA ALA 34 3.169 -10.954 3.749 291 1HB ALA 34 1HB ALA 34 2.552 -12.434 2.168 292 2HB ALA 34 2HB ALA 34 3.417 -11.588 0.883 293 3HB ALA 34 3HB ALA 34 1.839 -11.007 1.417 294 HA PRO 35 HA PRO 35 7.441 -10.987 2.593 295 1HB PRO 35 2HB PRO 35 8.187 -12.239 5.051 296 2HB PRO 35 1HB PRO 35 8.283 -10.517 4.656 297 1HG PRO 35 2HG PRO 35 6.460 -11.810 6.471 298 2HG PRO 35 1HG PRO 35 6.567 -10.089 6.078 299 1HD PRO 35 2HD PRO 35 4.555 -11.985 5.243 300 2HD PRO 35 1HD PRO 35 4.626 -10.245 4.911 301 H GLU 36 H GLU 36 6.306 -13.789 4.522 302 HA GLU 36 HA GLU 36 6.860 -15.604 2.341 303 1HB GLU 36 2HB GLU 36 8.927 -15.041 4.227 304 2HB GLU 36 1HB GLU 36 8.326 -16.666 4.560 305 1HG GLU 36 2HG GLU 36 8.762 -15.942 1.701 306 2HG GLU 36 1HG GLU 36 10.197 -16.201 2.694 307 H GLY 37 H GLY 37 4.678 -16.283 2.636 308 1HA GLY 37 2HA GLY 37 4.298 -18.040 4.939 309 2HA GLY 37 1HA GLY 37 3.167 -16.695 4.797 310 H LYS 38 H LYS 38 1.599 -18.579 4.605 311 HA LYS 38 HA LYS 38 1.577 -19.671 1.859 312 1HB LYS 38 2HB LYS 38 0.230 -20.596 4.407 313 2HB LYS 38 1HB LYS 38 -0.087 -21.300 2.821 314 1HG LYS 38 2HG LYS 38 1.629 -22.699 3.324 315 2HG LYS 38 1HG LYS 38 2.658 -21.329 2.903 316 1HD LYS 38 2HD LYS 38 3.244 -20.947 5.065 317 2HD LYS 38 1HD LYS 38 1.611 -21.253 5.658 318 1HE LYS 38 2HE LYS 38 2.467 -23.189 6.472 319 2HE LYS 38 1HE LYS 38 2.395 -23.752 4.802 320 1HZ LYS 38 1HZ LYS 38 4.588 -23.535 4.596 321 2HZ LYS 38 2HZ LYS 38 4.611 -23.663 6.191 322 3HZ LYS 38 3HZ LYS 38 4.697 -22.221 5.505 323 H ASP 39 H ASP 39 -0.080 -17.556 4.040 324 HA ASP 39 HA ASP 39 -2.560 -17.603 2.625 325 1HB ASP 39 2HB ASP 39 -1.588 -16.449 5.008 326 2HB ASP 39 1HB ASP 39 -1.990 -15.090 3.957 327 H ARG 40 H ARG 40 -3.234 -15.827 1.241 328 HA ARG 40 HA ARG 40 -1.525 -15.241 -0.825 329 1HB ARG 40 2HB ARG 40 -3.941 -13.781 0.210 330 2HB ARG 40 1HB ARG 40 -3.041 -13.176 -1.178 331 1HG ARG 40 2HG ARG 40 -4.881 -14.591 -1.951 332 2HG ARG 40 1HG ARG 40 -3.339 -15.370 -2.305 333 1HD ARG 40 2HD ARG 40 -3.559 -16.792 -0.335 334 2HD ARG 40 1HD ARG 40 -5.043 -15.962 0.132 335 HE ARG 40 HE ARG 40 -5.566 -16.859 -2.397 336 1HH1 ARG 40 1HH2 ARG 40 -4.400 -18.234 0.552 337 2HH1 ARG 40 2HH2 ARG 40 -5.095 -19.791 0.249 338 1HH2 ARG 40 1HH1 ARG 40 -6.473 -18.887 -2.799 339 2HH2 ARG 40 2HH1 ARG 40 -6.266 -20.160 -1.644 340 H PHE 41 H PHE 41 -1.774 -13.799 2.257 341 HA PHE 41 HA PHE 41 0.729 -12.473 1.860 342 1HB PHE 41 2HB PHE 41 -0.837 -10.360 2.905 343 2HB PHE 41 1HB PHE 41 0.042 -10.397 1.382 344 HD1 PHE 41 HD1 PHE 41 -3.215 -10.827 3.009 345 HD2 PHE 41 HD2 PHE 41 -1.083 -10.933 -0.716 346 HE1 PHE 41 HE1 PHE 41 -5.372 -10.787 1.770 347 HE2 PHE 41 HE2 PHE 41 -3.230 -10.891 -1.955 348 HZ PHE 41 HZ PHE 41 -5.374 -10.819 -0.714 349 H THR 42 H THR 42 0.965 -10.918 3.969 350 HA THR 42 HA THR 42 0.574 -12.767 6.187 351 HB THR 42 HB THR 42 2.787 -11.526 5.491 352 HG1 THR 42 HG1 THR 42 1.708 -11.936 8.046 353 1HG2 THR 42 1HG2 THR 42 3.006 -9.337 5.880 354 2HG2 THR 42 2HG2 THR 42 2.248 -9.460 7.469 355 3HG2 THR 42 3HG2 THR 42 1.260 -9.274 6.033 356 H ILE 43 H ILE 43 -0.351 -9.491 5.206 357 HA ILE 43 HA ILE 43 -2.481 -9.633 7.232 358 HB ILE 43 HB ILE 43 -1.742 -7.974 8.550 359 1HG1 ILE 43 2HG1 ILE 43 -2.510 -6.273 6.933 360 2HG1 ILE 43 1HG1 ILE 43 -1.027 -5.760 7.730 361 1HG2 ILE 43 1HG2 ILE 43 0.572 -7.628 8.684 362 2HG2 ILE 43 2HG2 ILE 43 0.788 -7.752 6.940 363 3HG2 ILE 43 3HG2 ILE 43 0.429 -9.194 7.891 364 1HD1 ILE 43 1HD1 ILE 43 -0.007 -5.560 5.736 365 2HD1 ILE 43 2HD1 ILE 43 -1.502 -6.047 4.935 366 3HD1 ILE 43 3HD1 ILE 43 -0.319 -7.266 5.404 367 H SER 44 H SER 44 -4.042 -7.669 6.906 368 HA SER 44 HA SER 44 -4.117 -6.547 4.266 369 1HB SER 44 2HB SER 44 -6.572 -7.749 4.211 370 2HB SER 44 1HB SER 44 -5.162 -8.356 3.348 371 HG SER 44 HG SER 44 -6.209 -9.923 4.718 372 H HIS 45 H HIS 45 -4.810 -4.505 4.863 373 HA HIS 45 HA HIS 45 -6.748 -4.347 7.099 374 1HB HIS 45 2HB HIS 45 -5.594 -1.837 6.208 375 2HB HIS 45 1HB HIS 45 -5.655 -2.514 7.837 376 HD1 HIS 45 HD1 HIS 45 -3.482 -3.455 8.734 377 HD2 HIS 45 HD2 HIS 45 -3.403 -2.890 4.615 378 HE1 HIS 45 HE1 HIS 45 -1.099 -3.913 8.002 379 H MET 46 H MET 46 -8.743 -3.734 6.613 380 HA MET 46 HA MET 46 -9.475 -3.047 3.926 381 1HB MET 46 2HB MET 46 -10.845 -3.619 6.429 382 2HB MET 46 1HB MET 46 -11.571 -2.238 5.610 383 1HG MET 46 2HG MET 46 -11.917 -3.510 3.599 384 2HG MET 46 1HG MET 46 -10.951 -4.851 4.213 385 1HE MET 46 1HE MET 46 -14.953 -5.585 3.928 386 2HE MET 46 2HE MET 46 -13.448 -5.600 3.012 387 3HE MET 46 3HE MET 46 -14.295 -4.078 3.276 388 H TYR 47 H TYR 47 -8.807 -1.136 3.130 389 HA TYR 47 HA TYR 47 -7.878 1.062 4.354 390 1HB TYR 47 2HB TYR 47 -9.387 0.679 1.809 391 2HB TYR 47 1HB TYR 47 -9.206 2.336 2.383 392 HD1 TYR 47 HD1 TYR 47 -8.028 1.178 -0.153 393 HD2 TYR 47 HD2 TYR 47 -6.361 1.521 3.795 394 HE1 TYR 47 HE1 TYR 47 -5.769 1.281 -1.097 395 HE2 TYR 47 HE2 TYR 47 -4.105 1.618 2.828 396 HH TYR 47 HH TYR 47 -3.025 2.177 0.727 397 H ALA 48 H ALA 48 -11.360 0.382 3.974 398 HA ALA 48 HA ALA 48 -12.163 2.883 5.137 399 1HB ALA 48 1HB ALA 48 -13.573 0.203 4.948 400 2HB ALA 48 2HB ALA 48 -13.779 1.584 3.870 401 3HB ALA 48 3HB ALA 48 -14.335 1.679 5.541 402 H ASP 49 H ASP 49 -11.701 -0.340 6.350 403 HA ASP 49 HA ASP 49 -12.366 -0.054 9.028 404 1HB ASP 49 2HB ASP 49 -10.076 -1.605 7.793 405 2HB ASP 49 1HB ASP 49 -10.497 -1.714 9.503 406 H ILE 50 H ILE 50 -9.604 1.090 7.276 407 HA ILE 50 HA ILE 50 -8.598 2.251 9.779 408 HB ILE 50 HB ILE 50 -6.511 2.533 8.454 409 1HG1 ILE 50 2HG1 ILE 50 -6.490 1.024 6.332 410 2HG1 ILE 50 1HG1 ILE 50 -8.220 1.302 6.314 411 1HG2 ILE 50 1HG2 ILE 50 -7.447 -0.305 8.208 412 2HG2 ILE 50 2HG2 ILE 50 -7.253 0.438 9.794 413 3HG2 ILE 50 3HG2 ILE 50 -5.868 0.294 8.712 414 1HD1 ILE 50 1HD1 ILE 50 -7.978 3.591 5.906 415 2HD1 ILE 50 2HD1 ILE 50 -6.633 2.918 5.003 416 3HD1 ILE 50 3HD1 ILE 50 -6.356 3.637 6.588 417 H LYS 51 H LYS 51 -7.953 4.598 9.778 418 HA LYS 51 HA LYS 51 -8.819 6.010 7.374 419 1HB LYS 51 2HB LYS 51 -10.816 6.147 8.697 420 2HB LYS 51 1HB LYS 51 -9.894 6.602 10.128 421 1HG LYS 51 2HG LYS 51 -10.967 8.556 8.867 422 2HG LYS 51 1HG LYS 51 -9.232 8.682 9.172 423 1HD LYS 51 2HD LYS 51 -8.654 8.172 6.958 424 2HD LYS 51 1HD LYS 51 -10.241 7.483 6.610 425 1HE LYS 51 2HE LYS 51 -11.127 9.505 6.088 426 2HE LYS 51 1HE LYS 51 -10.378 10.279 7.483 427 1HZ LYS 51 1HZ LYS 51 -9.581 10.924 5.195 428 2HZ LYS 51 2HZ LYS 51 -8.791 9.533 5.176 429 3HZ LYS 51 3HZ LYS 51 -8.461 10.624 6.299 430 H CYS 52 H CYS 52 -6.908 6.833 6.947 431 HA CYS 52 HA CYS 52 -6.002 9.159 8.025 432 1HB CYS 52 2HB CYS 52 -5.052 6.815 9.430 433 2HB CYS 52 1HB CYS 52 -3.741 7.831 8.847 434 HG CYS 52 HG CYS 52 -5.403 8.497 11.220 435 H GLN 53 H GLN 53 -4.822 9.969 6.309 436 HA GLN 53 HA GLN 53 -3.196 8.009 4.840 437 1HB GLN 53 2HB GLN 53 -5.545 9.528 3.788 438 2HB GLN 53 1HB GLN 53 -4.175 9.241 2.712 439 1HG GLN 53 2HG GLN 53 -5.293 6.974 4.336 440 2HG GLN 53 1HG GLN 53 -6.092 7.460 2.843 441 1HE2 GLN 53 1HE2 GLN 53 -5.421 5.408 1.815 442 2HE2 GLN 53 2HE2 GLN 53 -3.815 5.181 1.316 443 H LYS 54 H LYS 54 -1.275 8.796 4.449 444 HA LYS 54 HA LYS 54 -0.933 11.671 3.938 445 1HB LYS 54 2HB LYS 54 -0.275 11.785 6.150 446 2HB LYS 54 1HB LYS 54 0.105 10.064 6.229 447 1HG LYS 54 2HG LYS 54 2.263 10.368 5.513 448 2HG LYS 54 1HG LYS 54 1.843 11.734 4.476 449 1HD LYS 54 2HD LYS 54 1.310 12.510 7.167 450 2HD LYS 54 1HD LYS 54 2.919 11.788 7.133 451 1HE LYS 54 2HE LYS 54 3.486 13.259 5.189 452 2HE LYS 54 1HE LYS 54 1.917 14.042 5.369 453 1HZ LYS 54 1HZ LYS 54 4.190 14.133 7.151 454 2HZ LYS 54 2HZ LYS 54 2.724 14.351 7.753 455 3HZ LYS 54 3HZ LYS 54 3.278 15.339 6.623 456 H ILE 55 H ILE 55 -0.043 11.598 1.908 457 HA ILE 55 HA ILE 55 2.133 9.636 1.476 458 HB ILE 55 HB ILE 55 -0.225 10.358 -0.250 459 1HG1 ILE 55 2HG1 ILE 55 -0.242 7.956 -0.662 460 2HG1 ILE 55 1HG1 ILE 55 1.301 7.773 0.172 461 1HG2 ILE 55 1HG2 ILE 55 1.885 10.909 -1.549 462 2HG2 ILE 55 2HG2 ILE 55 0.889 9.643 -2.258 463 3HG2 ILE 55 3HG2 ILE 55 2.347 9.217 -1.369 464 1HD1 ILE 55 1HD1 ILE 55 -1.094 7.418 1.386 465 2HD1 ILE 55 2HD1 ILE 55 -0.833 9.131 1.707 466 3HD1 ILE 55 3HD1 ILE 55 0.358 7.943 2.236 467 H SER 56 H SER 56 3.861 11.008 1.707 468 HA SER 56 HA SER 56 3.795 13.454 0.051 469 1HB SER 56 2HB SER 56 4.579 12.996 2.834 470 2HB SER 56 1HB SER 56 5.784 13.880 1.901 471 HG SER 56 HG SER 56 4.398 15.487 1.610 472 HA PRO 57 HA PRO 57 7.721 10.846 -0.534 473 1HB PRO 57 2HB PRO 57 6.873 9.212 -2.723 474 2HB PRO 57 1HB PRO 57 7.468 8.732 -1.136 475 1HG PRO 57 2HG PRO 57 4.780 8.588 -2.109 476 2HG PRO 57 1HG PRO 57 5.385 8.031 -0.568 477 1HD PRO 57 2HD PRO 57 3.771 10.350 -1.085 478 2HD PRO 57 1HD PRO 57 4.401 9.786 0.471 479 H GLU 58 H GLU 58 5.358 12.479 -2.326 480 HA GLU 58 HA GLU 58 6.530 12.764 -4.827 481 1HB GLU 58 2HB GLU 58 4.537 14.113 -3.288 482 2HB GLU 58 1HB GLU 58 5.633 15.333 -3.938 483 1HG GLU 58 2HG GLU 58 4.852 13.187 -5.827 484 2HG GLU 58 1HG GLU 58 3.558 14.286 -5.348 485 H GLY 59 H GLY 59 7.651 13.822 -1.689 486 1HA GLY 59 2HA GLY 59 10.016 14.923 -3.004 487 2HA GLY 59 1HA GLY 59 9.164 15.948 -1.848 488 H LYS 60 H LYS 60 9.049 12.542 -1.161 489 HA LYS 60 HA LYS 60 10.535 13.046 1.265 490 1HB LYS 60 2HB LYS 60 9.274 10.503 0.190 491 2HB LYS 60 1HB LYS 60 10.029 10.661 1.777 492 1HG LYS 60 2HG LYS 60 8.124 12.810 1.252 493 2HG LYS 60 1HG LYS 60 7.369 11.216 1.224 494 1HD LYS 60 2HD LYS 60 8.757 10.813 3.409 495 2HD LYS 60 1HD LYS 60 8.838 12.574 3.468 496 1HE LYS 60 2HE LYS 60 6.143 11.691 2.859 497 2HE LYS 60 1HE LYS 60 6.716 10.963 4.359 498 1HZ LYS 60 1HZ LYS 60 7.051 13.799 3.850 499 2HZ LYS 60 2HZ LYS 60 7.071 13.035 5.256 500 3HZ LYS 60 3HZ LYS 60 5.688 13.239 4.477 501 H ALA 61 H ALA 61 11.310 9.901 0.565 502 HA ALA 61 HA ALA 61 13.928 10.751 -0.501 503 1HB ALA 61 1HB ALA 61 13.937 10.075 1.911 504 2HB ALA 61 2HB ALA 61 14.955 9.058 0.892 505 3HB ALA 61 3HB ALA 61 13.376 8.477 1.419 506 H LYS 62 H LYS 62 11.632 7.969 -0.305 507 HA LYS 62 HA LYS 62 12.281 7.405 -3.065 508 1HB LYS 62 2HB LYS 62 12.756 4.901 -2.187 509 2HB LYS 62 1HB LYS 62 14.028 6.055 -2.549 510 1HG LYS 62 2HG LYS 62 12.819 6.177 0.174 511 2HG LYS 62 1HG LYS 62 13.844 4.786 -0.166 512 1HD LYS 62 2HD LYS 62 14.914 7.406 -0.993 513 2HD LYS 62 1HD LYS 62 14.720 7.171 0.746 514 1HE LYS 62 2HE LYS 62 16.725 6.107 0.641 515 2HE LYS 62 1HE LYS 62 15.816 4.770 -0.064 516 1HZ LYS 62 1HZ LYS 62 16.839 6.925 -1.716 517 2HZ LYS 62 2HZ LYS 62 16.401 5.454 -2.167 518 3HZ LYS 62 3HZ LYS 62 17.760 5.668 -1.351 519 H ILE 63 H ILE 63 9.692 7.969 -1.861 520 HA ILE 63 HA ILE 63 7.682 7.273 -2.036 521 HB ILE 63 HB ILE 63 7.340 6.268 -3.904 522 1HG1 ILE 63 2HG1 ILE 63 7.888 3.492 -3.098 523 2HG1 ILE 63 1HG1 ILE 63 6.811 4.368 -2.020 524 1HG2 ILE 63 1HG2 ILE 63 9.914 6.121 -4.162 525 2HG2 ILE 63 2HG2 ILE 63 8.907 5.136 -5.205 526 3HG2 ILE 63 3HG2 ILE 63 9.705 4.403 -3.813 527 1HD1 ILE 63 1HD1 ILE 63 5.145 4.443 -3.515 528 2HD1 ILE 63 2HD1 ILE 63 6.028 3.172 -4.358 529 3HD1 ILE 63 3HD1 ILE 63 6.236 4.858 -4.836 530 H GLN 64 H GLN 64 7.477 7.459 -0.071 531 HA GLN 64 HA GLN 64 7.130 4.978 1.526 532 1HB GLN 64 2HB GLN 64 8.068 5.928 3.408 533 2HB GLN 64 1HB GLN 64 8.978 6.816 2.188 534 1HG GLN 64 2HG GLN 64 7.255 8.628 2.304 535 2HG GLN 64 1HG GLN 64 6.509 7.774 3.654 536 1HE2 GLN 64 1HE2 GLN 64 10.018 8.126 2.984 537 2HE2 GLN 64 2HE2 GLN 64 10.365 8.964 4.419 538 H LEU 65 H LEU 65 5.043 4.766 2.421 539 HA LEU 65 HA LEU 65 3.384 7.198 2.271 540 1HB LEU 65 2HB LEU 65 1.440 5.780 1.591 541 2HB LEU 65 1HB LEU 65 2.725 5.860 0.398 542 HG LEU 65 HG LEU 65 1.710 3.570 0.798 543 1HD1 LEU 65 1HD1 LEU 65 3.613 2.991 -0.222 544 2HD1 LEU 65 2HD1 LEU 65 4.381 2.853 1.357 545 3HD1 LEU 65 3HD1 LEU 65 4.447 4.378 0.475 546 1HD2 LEU 65 1HD2 LEU 65 2.190 2.343 2.733 547 2HD2 LEU 65 2HD2 LEU 65 1.753 3.931 3.359 548 3HD2 LEU 65 3HD2 LEU 65 3.448 3.465 3.240 549 H GLN 66 H GLN 66 1.425 7.081 3.745 550 HA GLN 66 HA GLN 66 1.823 5.269 6.026 551 1HB GLN 66 2HB GLN 66 2.971 7.729 6.112 552 2HB GLN 66 1HB GLN 66 1.376 8.095 6.771 553 1HG GLN 66 2HG GLN 66 1.622 6.369 8.464 554 2HG GLN 66 1HG GLN 66 3.147 5.839 7.754 555 1HE2 GLN 66 1HE2 GLN 66 1.714 8.092 9.964 556 2HE2 GLN 66 2HE2 GLN 66 3.122 8.978 10.305 557 H LEU 67 H LEU 67 -0.050 4.614 6.832 558 HA LEU 67 HA LEU 67 -2.516 6.208 6.401 559 1HB LEU 67 2HB LEU 67 -2.404 4.482 4.667 560 2HB LEU 67 1HB LEU 67 -2.063 3.250 5.878 561 HG LEU 67 HG LEU 67 -4.441 4.636 6.654 562 1HD1 LEU 67 1HD1 LEU 67 -5.055 3.306 4.100 563 2HD1 LEU 67 2HD1 LEU 67 -4.164 4.816 3.928 564 3HD1 LEU 67 3HD1 LEU 67 -5.710 4.797 4.776 565 1HD2 LEU 67 1HD2 LEU 67 -4.896 2.007 5.560 566 2HD2 LEU 67 2HD2 LEU 67 -4.871 2.504 7.252 567 3HD2 LEU 67 3HD2 LEU 67 -3.376 2.015 6.454 568 H VAL 68 H VAL 68 -4.099 5.847 8.121 569 HA VAL 68 HA VAL 68 -3.026 4.168 10.279 570 HB VAL 68 HB VAL 68 -4.503 6.655 11.022 571 1HG1 VAL 68 1HG1 VAL 68 -2.515 4.790 12.308 572 2HG1 VAL 68 2HG1 VAL 68 -4.174 5.117 12.813 573 3HG1 VAL 68 3HG1 VAL 68 -2.931 6.349 13.009 574 1HG2 VAL 68 1HG2 VAL 68 -1.676 6.919 11.343 575 2HG2 VAL 68 2HG2 VAL 68 -2.773 7.977 10.452 576 3HG2 VAL 68 3HG2 VAL 68 -2.024 6.596 9.647 577 H LEU 69 H LEU 69 -4.440 3.469 11.768 578 HA LEU 69 HA LEU 69 -6.914 2.531 10.587 579 1HB LEU 69 2HB LEU 69 -5.568 1.937 13.237 580 2HB LEU 69 1HB LEU 69 -6.772 0.933 12.461 581 HG LEU 69 HG LEU 69 -3.910 0.894 12.125 582 1HD1 LEU 69 1HD1 LEU 69 -4.740 -1.210 12.040 583 2HD1 LEU 69 2HD1 LEU 69 -4.712 -0.881 10.304 584 3HD1 LEU 69 3HD1 LEU 69 -6.218 -0.706 11.217 585 1HD2 LEU 69 1HD2 LEU 69 -4.078 0.719 9.515 586 2HD2 LEU 69 2HD2 LEU 69 -3.753 2.262 10.300 587 3HD2 LEU 69 3HD2 LEU 69 -5.379 1.883 9.736 588 H HIS 70 H HIS 70 -9.016 2.921 11.546 589 HA HIS 70 HA HIS 70 -9.578 5.378 12.694 590 1HB HIS 70 2HB HIS 70 -10.915 2.682 13.138 591 2HB HIS 70 1HB HIS 70 -11.570 4.190 13.770 592 HD1 HIS 70 HD1 HIS 70 -11.607 6.140 11.633 593 HD2 HIS 70 HD2 HIS 70 -12.119 2.108 10.744 594 HE1 HIS 70 HE1 HIS 70 -12.763 6.028 9.380 595 H ALA 71 H ALA 71 -8.412 2.423 13.987 596 HA ALA 71 HA ALA 71 -8.460 3.181 16.772 597 1HB ALA 71 1HB ALA 71 -8.437 0.784 15.750 598 2HB ALA 71 2HB ALA 71 -7.462 1.088 17.188 599 3HB ALA 71 3HB ALA 71 -6.698 1.035 15.599 600 H GLY 72 H GLY 72 -5.745 2.308 17.358 601 1HA GLY 72 2HA GLY 72 -4.331 4.738 16.494 602 2HA GLY 72 1HA GLY 72 -4.053 3.885 18.014 603 H ASP 73 H ASP 73 -4.279 2.868 14.712 604 HA ASP 73 HA ASP 73 -1.545 1.741 14.958 605 1HB ASP 73 2HB ASP 73 -2.890 -0.182 15.105 606 2HB ASP 73 1HB ASP 73 -4.045 0.410 13.924 607 H THR 74 H THR 74 -0.214 2.368 13.377 608 HA THR 74 HA THR 74 -1.439 3.713 11.070 609 HB THR 74 HB THR 74 1.422 3.957 11.972 610 HG1 THR 74 HG1 THR 74 0.810 5.230 13.510 611 1HG2 THR 74 1HG2 THR 74 1.210 4.882 9.838 612 2HG2 THR 74 2HG2 THR 74 0.925 6.282 10.872 613 3HG2 THR 74 3HG2 THR 74 -0.437 5.437 10.136 614 H THR 75 H THR 75 -0.195 3.412 8.990 615 HA THR 75 HA THR 75 1.141 0.800 8.974 616 HB THR 75 HB THR 75 -0.636 1.849 6.757 617 HG1 THR 75 HG1 THR 75 -1.449 -0.212 8.451 618 1HG2 THR 75 1HG2 THR 75 0.456 -0.895 7.443 619 2HG2 THR 75 2HG2 THR 75 1.025 0.151 6.141 620 3HG2 THR 75 3HG2 THR 75 -0.600 -0.533 6.077 621 H ASN 76 H ASN 76 3.251 1.363 8.442 622 HA ASN 76 HA ASN 76 3.572 3.644 6.590 623 1HB ASN 76 2HB ASN 76 5.604 2.411 8.483 624 2HB ASN 76 1HB ASN 76 5.829 3.861 7.503 625 1HD2 ASN 76 1HD2 ASN 76 3.508 2.600 9.975 626 2HD2 ASN 76 2HD2 ASN 76 3.305 4.095 10.753 627 H PHE 77 H PHE 77 4.582 3.157 4.604 628 HA PHE 77 HA PHE 77 5.863 0.535 4.466 629 1HB PHE 77 2HB PHE 77 3.205 1.024 3.544 630 2HB PHE 77 1HB PHE 77 4.238 0.742 2.144 631 HD1 PHE 77 HD1 PHE 77 6.298 -0.996 3.361 632 HD2 PHE 77 HD2 PHE 77 2.029 -1.072 3.767 633 HE1 PHE 77 HE1 PHE 77 6.401 -3.399 3.847 634 HE2 PHE 77 HE2 PHE 77 2.126 -3.493 4.252 635 HZ PHE 77 HZ PHE 77 4.343 -4.639 4.280 636 H HIS 78 H HIS 78 7.362 0.375 2.926 637 HA HIS 78 HA HIS 78 7.784 2.693 1.135 638 1HB HIS 78 2HB HIS 78 9.096 2.894 3.322 639 2HB HIS 78 1HB HIS 78 10.017 1.490 2.792 640 HD1 HIS 78 HD1 HIS 78 11.434 1.753 0.606 641 HD2 HIS 78 HD2 HIS 78 9.828 5.327 1.979 642 HE1 HIS 78 HE1 HIS 78 12.499 3.616 -0.732 643 H PHE 79 H PHE 79 9.429 2.274 -0.465 644 HA PHE 79 HA PHE 79 9.755 -0.602 -1.163 645 1HB PHE 79 2HB PHE 79 9.461 1.751 -3.052 646 2HB PHE 79 1HB PHE 79 9.486 0.045 -3.481 647 HD1 PHE 79 HD1 PHE 79 7.541 2.592 -1.516 648 HD2 PHE 79 HD2 PHE 79 7.469 -1.209 -3.537 649 HE1 PHE 79 HE1 PHE 79 5.060 2.505 -1.282 650 HE2 PHE 79 HE2 PHE 79 5.023 -1.279 -3.288 651 HZ PHE 79 HZ PHE 79 3.826 0.533 -2.157 652 H SER 80 H SER 80 12.190 -1.027 -1.478 653 HA SER 80 HA SER 80 13.780 0.950 -2.494 654 1HB SER 80 2HB SER 80 13.761 2.422 -0.777 655 2HB SER 80 1HB SER 80 13.299 1.204 0.412 656 HG SER 80 HG SER 80 15.595 2.170 0.297 657 H ASN 81 H ASN 81 13.381 -1.919 -0.604 658 HA ASN 81 HA ASN 81 15.672 -2.935 0.158 659 1HB ASN 81 2HB ASN 81 14.893 -5.020 -1.514 660 2HB ASN 81 1HB ASN 81 14.354 -4.750 0.140 661 1HD2 ASN 81 1HD2 ASN 81 13.535 -2.860 -2.813 662 2HD2 ASN 81 2HD2 ASN 81 11.864 -3.128 -2.696 663 H GLU 82 H GLU 82 15.182 -4.133 -3.138 664 HA GLU 82 HA GLU 82 17.965 -4.101 -3.640 665 1HB GLU 82 2HB GLU 82 17.188 -4.286 -6.087 666 2HB GLU 82 1HB GLU 82 16.641 -5.555 -4.991 667 1HG GLU 82 2HG GLU 82 14.466 -4.919 -5.144 668 2HG GLU 82 1HG GLU 82 14.870 -3.202 -5.089 669 H SER 83 H SER 83 16.591 -2.477 -6.311 670 HA SER 83 HA SER 83 17.013 0.173 -5.234 671 1HB SER 83 2HB SER 83 18.667 0.742 -6.950 672 2HB SER 83 1HB SER 83 19.292 -0.589 -5.981 673 HG SER 83 HG SER 83 19.201 -0.620 -8.492 674 H THR 84 H THR 84 14.724 0.311 -5.751 675 HA THR 84 HA THR 84 14.224 0.581 -8.615 676 HB THR 84 HB THR 84 13.640 -1.731 -8.266 677 HG1 THR 84 HG1 THR 84 11.879 -1.249 -9.267 678 1HG2 THR 84 1HG2 THR 84 13.287 -0.886 -5.608 679 2HG2 THR 84 2HG2 THR 84 13.119 -2.526 -6.234 680 3HG2 THR 84 3HG2 THR 84 11.710 -1.472 -6.133 681 H ALA 85 H ALA 85 14.125 1.993 -5.714 682 HA ALA 85 HA ALA 85 11.410 2.756 -5.461 683 1HB ALA 85 1HB ALA 85 13.880 4.250 -4.504 684 2HB ALA 85 2HB ALA 85 13.098 2.943 -3.613 685 3HB ALA 85 3HB ALA 85 12.234 4.452 -3.905 686 H VAL 86 H VAL 86 11.016 3.168 -7.603 687 HA VAL 86 HA VAL 86 11.354 5.970 -8.303 688 HB VAL 86 HB VAL 86 12.202 5.536 -10.539 689 1HG1 VAL 86 1HG1 VAL 86 14.429 4.660 -9.978 690 2HG1 VAL 86 2HG1 VAL 86 13.797 3.982 -8.477 691 3HG1 VAL 86 3HG1 VAL 86 13.854 5.731 -8.701 692 1HG2 VAL 86 1HG2 VAL 86 11.360 2.820 -9.868 693 2HG2 VAL 86 2HG2 VAL 86 12.991 2.861 -10.537 694 3HG2 VAL 86 3HG2 VAL 86 11.645 3.542 -11.451 695 H LYS 87 H LYS 87 10.446 5.190 -11.113 696 HA LYS 87 HA LYS 87 7.800 5.724 -11.005 697 1HB LYS 87 2HB LYS 87 9.410 5.110 -13.014 698 2HB LYS 87 1HB LYS 87 8.625 3.537 -12.866 699 1HG LYS 87 2HG LYS 87 7.265 4.726 -14.400 700 2HG LYS 87 1HG LYS 87 6.404 4.849 -12.865 701 1HD LYS 87 2HD LYS 87 6.490 7.090 -13.031 702 2HD LYS 87 1HD LYS 87 8.249 7.003 -12.939 703 1HE LYS 87 2HE LYS 87 6.704 6.610 -15.513 704 2HE LYS 87 1HE LYS 87 7.353 8.168 -15.004 705 1HZ LYS 87 1HZ LYS 87 9.496 7.315 -15.111 706 2HZ LYS 87 2HZ LYS 87 8.803 6.795 -16.456 707 3HZ LYS 87 3HZ LYS 87 9.016 5.793 -15.228 708 H GLU 88 H GLU 88 9.056 2.365 -11.005 709 HA GLU 88 HA GLU 88 6.805 0.886 -10.767 710 1HB GLU 88 2HB GLU 88 8.220 -0.371 -8.877 711 2HB GLU 88 1HB GLU 88 8.706 -0.416 -10.559 712 1HG GLU 88 2HG GLU 88 9.763 1.956 -9.288 713 2HG GLU 88 1HG GLU 88 10.230 0.509 -8.413 714 H ARG 89 H ARG 89 8.471 1.742 -7.788 715 HA ARG 89 HA ARG 89 6.260 1.388 -6.114 716 1HB ARG 89 2HB ARG 89 8.374 3.430 -5.482 717 2HB ARG 89 1HB ARG 89 7.620 2.249 -4.417 718 1HG ARG 89 2HG ARG 89 9.719 1.736 -6.543 719 2HG ARG 89 1HG ARG 89 9.852 1.454 -4.816 720 1HD ARG 89 2HD ARG 89 8.376 -0.393 -4.881 721 2HD ARG 89 1HD ARG 89 7.734 0.053 -6.450 722 HE ARG 89 HE ARG 89 10.392 -0.428 -6.913 723 1HH1 ARG 89 1HH2 ARG 89 7.781 -2.094 -5.384 724 2HH1 ARG 89 2HH2 ARG 89 8.329 -3.663 -5.869 725 1HH2 ARG 89 1HH1 ARG 89 11.095 -2.478 -7.580 726 2HH2 ARG 89 2HH1 ARG 89 10.200 -3.880 -7.101 727 H ASP 90 H ASP 90 7.539 4.178 -7.758 728 HA ASP 90 HA ASP 90 5.761 6.153 -6.828 729 1HB ASP 90 2HB ASP 90 7.795 6.279 -8.538 730 2HB ASP 90 1HB ASP 90 6.499 6.137 -9.727 731 H ALA 91 H ALA 91 5.101 3.318 -8.600 732 HA ALA 91 HA ALA 91 2.609 4.404 -9.705 733 1HB ALA 91 1HB ALA 91 2.778 1.631 -10.173 734 2HB ALA 91 2HB ALA 91 4.415 2.242 -10.409 735 3HB ALA 91 3HB ALA 91 3.079 2.916 -11.342 736 H VAL 92 H VAL 92 3.948 2.123 -7.337 737 HA VAL 92 HA VAL 92 1.454 1.030 -6.491 738 HB VAL 92 HB VAL 92 3.782 1.660 -4.654 739 1HG1 VAL 92 1HG1 VAL 92 1.438 -0.225 -4.660 740 2HG1 VAL 92 2HG1 VAL 92 2.006 0.834 -3.370 741 3HG1 VAL 92 3HG1 VAL 92 2.894 -0.641 -3.757 742 1HG2 VAL 92 1HG2 VAL 92 3.414 -0.696 -6.526 743 2HG2 VAL 92 2HG2 VAL 92 4.627 -0.607 -5.246 744 3HG2 VAL 92 3HG2 VAL 92 4.694 0.514 -6.608 745 H LYS 93 H LYS 93 3.389 3.792 -5.386 746 HA LYS 93 HA LYS 93 1.533 4.838 -3.551 747 1HB LYS 93 2HB LYS 93 3.664 5.817 -3.489 748 2HB LYS 93 1HB LYS 93 3.749 5.971 -5.244 749 1HG LYS 93 2HG LYS 93 2.031 7.721 -5.198 750 2HG LYS 93 1HG LYS 93 1.884 7.552 -3.449 751 1HD LYS 93 2HD LYS 93 3.470 9.162 -3.324 752 2HD LYS 93 1HD LYS 93 4.604 7.900 -3.806 753 1HE LYS 93 2HE LYS 93 4.713 9.973 -5.238 754 2HE LYS 93 1HE LYS 93 4.381 8.495 -6.140 755 1HZ LYS 93 1HZ LYS 93 2.450 9.320 -6.738 756 2HZ LYS 93 2HZ LYS 93 2.863 10.734 -6.112 757 3HZ LYS 93 3HZ LYS 93 2.022 9.689 -5.240 758 H ASP 94 H ASP 94 2.105 5.480 -7.027 759 HA ASP 94 HA ASP 94 0.177 7.291 -7.648 760 1HB ASP 94 2HB ASP 94 1.739 6.140 -9.253 761 2HB ASP 94 1HB ASP 94 0.628 4.771 -9.257 762 H LEU 95 H LEU 95 -0.404 3.937 -6.650 763 HA LEU 95 HA LEU 95 -3.233 4.179 -7.395 764 1HB LEU 95 2HB LEU 95 -2.177 2.033 -5.578 765 2HB LEU 95 1HB LEU 95 -3.476 1.944 -6.764 766 HG LEU 95 HG LEU 95 -0.695 2.465 -7.718 767 1HD1 LEU 95 1HD1 LEU 95 -0.144 0.135 -7.713 768 2HD1 LEU 95 2HD1 LEU 95 -1.764 -0.303 -7.171 769 3HD1 LEU 95 3HD1 LEU 95 -0.665 0.534 -6.075 770 1HD2 LEU 95 1HD2 LEU 95 -2.895 2.411 -9.110 771 2HD2 LEU 95 2HD2 LEU 95 -2.780 0.663 -8.914 772 3HD2 LEU 95 3HD2 LEU 95 -1.488 1.545 -9.725 773 H LEU 96 H LEU 96 -1.166 4.052 -4.540 774 HA LEU 96 HA LEU 96 -2.823 4.121 -2.425 775 1HB LEU 96 2HB LEU 96 -0.532 6.022 -2.980 776 2HB LEU 96 1HB LEU 96 -1.243 5.759 -1.393 777 HG LEU 96 HG LEU 96 0.243 3.769 -3.116 778 1HD1 LEU 96 1HD1 LEU 96 0.606 4.718 -0.259 779 2HD1 LEU 96 2HD1 LEU 96 1.573 5.239 -1.639 780 3HD1 LEU 96 3HD1 LEU 96 1.637 3.561 -1.100 781 1HD2 LEU 96 1HD2 LEU 96 -0.332 2.126 -1.293 782 2HD2 LEU 96 2HD2 LEU 96 -1.706 2.612 -2.287 783 3HD2 LEU 96 3HD2 LEU 96 -1.494 3.303 -0.679 784 H GLN 97 H GLN 97 -1.813 7.149 -3.956 785 HA GLN 97 HA GLN 97 -3.828 8.725 -2.752 786 1HB GLN 97 2HB GLN 97 -2.503 9.311 -5.407 787 2HB GLN 97 1HB GLN 97 -3.219 10.469 -4.289 788 1HG GLN 97 2HG GLN 97 -1.156 10.681 -3.398 789 2HG GLN 97 1HG GLN 97 -1.434 9.085 -2.697 790 1HE2 GLN 97 1HE2 GLN 97 -1.440 7.857 -5.490 791 2HE2 GLN 97 2HE2 GLN 97 0.201 7.744 -5.876 792 H GLN 98 H GLN 98 -4.298 6.297 -4.968 793 HA GLN 98 HA GLN 98 -6.555 7.689 -6.219 794 1HB GLN 98 2HB GLN 98 -4.719 6.265 -7.470 795 2HB GLN 98 1HB GLN 98 -5.729 4.913 -6.944 796 1HG GLN 98 2HG GLN 98 -7.519 6.872 -7.889 797 2HG GLN 98 1HG GLN 98 -6.212 6.812 -9.076 798 1HE2 GLN 98 1HE2 GLN 98 -5.521 4.021 -8.770 799 2HE2 GLN 98 2HE2 GLN 98 -6.818 3.096 -9.356 800 H LEU 99 H LEU 99 -5.762 5.199 -3.899 801 HA LEU 99 HA LEU 99 -8.533 4.214 -3.964 802 1HB LEU 99 2HB LEU 99 -7.318 3.054 -1.735 803 2HB LEU 99 1HB LEU 99 -7.596 2.271 -3.277 804 HG LEU 99 HG LEU 99 -5.269 3.655 -3.771 805 1HD1 LEU 99 1HD1 LEU 99 -4.177 2.624 -1.420 806 2HD1 LEU 99 2HD1 LEU 99 -5.655 3.430 -0.892 807 3HD1 LEU 99 3HD1 LEU 99 -4.435 4.328 -1.773 808 1HD2 LEU 99 1HD2 LEU 99 -4.873 1.527 -4.376 809 2HD2 LEU 99 2HD2 LEU 99 -6.109 0.930 -3.270 810 3HD2 LEU 99 3HD2 LEU 99 -4.462 1.196 -2.694 811 H LEU 100 H LEU 100 -6.371 6.098 -1.899 812 HA LEU 100 HA LEU 100 -7.854 6.107 0.410 813 1HB LEU 100 2HB LEU 100 -7.205 8.825 0.151 814 2HB LEU 100 1HB LEU 100 -6.279 7.598 0.997 815 HG LEU 100 HG LEU 100 -5.832 7.683 -1.926 816 1HD1 LEU 100 1HD1 LEU 100 -5.498 9.900 -2.071 817 2HD1 LEU 100 2HD1 LEU 100 -4.165 9.707 -0.932 818 3HD1 LEU 100 3HD1 LEU 100 -5.778 10.106 -0.341 819 1HD2 LEU 100 1HD2 LEU 100 -4.541 6.279 -0.315 820 2HD2 LEU 100 2HD2 LEU 100 -4.003 7.750 0.495 821 3HD2 LEU 100 3HD2 LEU 100 -3.506 7.427 -1.164 822 HA PRO 101 HA PRO 101 -10.668 9.373 -1.747 823 1HB PRO 101 2HB PRO 101 -10.413 8.395 -4.530 824 2HB PRO 101 1HB PRO 101 -10.506 10.063 -3.941 825 1HG PRO 101 2HG PRO 101 -8.202 8.834 -4.844 826 2HG PRO 101 1HG PRO 101 -8.222 10.213 -3.732 827 1HD PRO 101 2HD PRO 101 -7.490 7.447 -3.192 828 2HD PRO 101 1HD PRO 101 -7.293 8.876 -2.166 829 H LYS 102 H LYS 102 -10.327 6.025 -2.289 830 HA LYS 102 HA LYS 102 -12.939 5.481 -3.352 831 1HB LYS 102 2HB LYS 102 -11.119 3.933 -3.744 832 2HB LYS 102 1HB LYS 102 -10.838 3.782 -2.008 833 1HG LYS 102 2HG LYS 102 -12.399 2.199 -1.805 834 2HG LYS 102 1HG LYS 102 -13.597 3.187 -2.648 835 1HD LYS 102 2HD LYS 102 -11.429 1.911 -4.266 836 2HD LYS 102 1HD LYS 102 -12.741 0.886 -3.682 837 1HE LYS 102 2HE LYS 102 -13.626 3.450 -4.840 838 2HE LYS 102 1HE LYS 102 -12.849 2.361 -5.989 839 1HZ LYS 102 1HZ LYS 102 -15.382 2.184 -5.219 840 2HZ LYS 102 2HZ LYS 102 -14.701 1.093 -4.267 841 3HZ LYS 102 3HZ LYS 102 -14.549 0.974 -5.855 842 H PHE 103 H PHE 103 -11.441 5.111 -0.159 843 HA PHE 103 HA PHE 103 -14.095 4.524 0.947 844 1HB PHE 103 2HB PHE 103 -12.427 4.185 3.061 845 2HB PHE 103 1HB PHE 103 -12.793 2.903 1.905 846 HD1 PHE 103 HD1 PHE 103 -11.296 2.611 -0.107 847 HD2 PHE 103 HD2 PHE 103 -10.226 5.076 3.242 848 HE1 PHE 103 HE1 PHE 103 -8.951 2.604 -0.865 849 HE2 PHE 103 HE2 PHE 103 -7.859 5.060 2.496 850 HZ PHE 103 HZ PHE 103 -7.219 3.828 0.439 851 H LYS 104 H LYS 104 -12.430 7.243 0.371 852 HA LYS 104 HA LYS 104 -13.430 8.445 2.870 853 1HB LYS 104 2HB LYS 104 -10.738 8.480 1.805 854 2HB LYS 104 1HB LYS 104 -11.385 10.117 1.919 855 1HG LYS 104 2HG LYS 104 -10.248 9.384 4.016 856 2HG LYS 104 1HG LYS 104 -11.950 9.772 4.266 857 1HD LYS 104 2HD LYS 104 -11.742 7.017 3.504 858 2HD LYS 104 1HD LYS 104 -10.623 7.319 4.829 859 1HE LYS 104 2HE LYS 104 -12.874 8.715 5.616 860 2HE LYS 104 1HE LYS 104 -13.559 7.290 4.837 861 1HZ LYS 104 1HZ LYS 104 -13.138 6.401 6.817 862 2HZ LYS 104 2HZ LYS 104 -12.015 7.465 7.225 863 3HZ LYS 104 3HZ LYS 104 -11.641 6.232 6.276 864 H ARG 105 H ARG 105 -14.419 8.100 0.041 865 HA ARG 105 HA ARG 105 -15.252 10.902 -0.266 866 1HB ARG 105 2HB ARG 105 -13.293 9.779 -1.895 867 2HB ARG 105 1HB ARG 105 -14.771 9.649 -2.850 868 1HG ARG 105 2HG ARG 105 -14.698 12.218 -1.549 869 2HG ARG 105 1HG ARG 105 -13.192 11.964 -2.433 870 1HD ARG 105 2HD ARG 105 -15.352 11.018 -4.056 871 2HD ARG 105 1HD ARG 105 -15.753 12.641 -3.492 872 HE ARG 105 HE ARG 105 -13.154 12.857 -4.310 873 1HH1 ARG 105 1HH2 ARG 105 -16.110 11.682 -5.660 874 2HH1 ARG 105 2HH2 ARG 105 -15.682 12.099 -7.284 875 1HH2 ARG 105 1HH1 ARG 105 -12.589 13.404 -6.424 876 2HH2 ARG 105 2HH1 ARG 105 -13.692 13.072 -7.717 877 H LYS 106 H LYS 106 -16.130 7.682 -0.068 878 HA LYS 106 HA LYS 106 -18.719 8.320 -1.319 879 1HB LYS 106 2HB LYS 106 -16.812 6.490 -2.355 880 2HB LYS 106 1HB LYS 106 -18.120 5.532 -1.661 881 1HG LYS 106 2HG LYS 106 -19.633 7.328 -2.907 882 2HG LYS 106 1HG LYS 106 -18.198 7.490 -3.921 883 1HD LYS 106 2HD LYS 106 -18.202 5.032 -4.284 884 2HD LYS 106 1HD LYS 106 -19.682 4.912 -3.332 885 1HE LYS 106 2HE LYS 106 -20.362 6.871 -5.112 886 2HE LYS 106 1HE LYS 106 -19.298 5.870 -6.099 887 1HZ LYS 106 1HZ LYS 106 -21.003 4.258 -4.631 888 2HZ LYS 106 2HZ LYS 106 -20.896 4.392 -6.222 889 3HZ LYS 106 3HZ LYS 106 -21.889 5.344 -5.404 890 H ALA 107 H ALA 107 -20.429 6.763 -0.545 891 HA ALA 107 HA ALA 107 -19.947 6.187 2.297 892 1HB ALA 107 1HB ALA 107 -22.031 7.443 1.088 893 2HB ALA 107 2HB ALA 107 -22.173 6.586 2.623 894 3HB ALA 107 3HB ALA 107 -22.638 5.787 1.121 895 H ASN 108 H ASN 108 -20.223 4.618 -0.744 896 HA ASN 108 HA ASN 108 -21.151 2.098 0.351 897 1HB ASN 108 2HB ASN 108 -21.314 3.125 -2.118 898 2HB ASN 108 1HB ASN 108 -19.793 2.251 -2.299 899 1HD2 ASN 108 1HD2 ASN 108 -20.983 0.745 -3.784 900 2HD2 ASN 108 2HD2 ASN 108 -21.966 -0.471 -3.124 Start of MODEL 19 1 1H MET 1 1H MET 1 -14.700 -20.572 -7.916 2 2H MET 1 2H MET 1 -16.005 -21.487 -8.060 3 3H MET 1 3H MET 1 -16.047 -19.957 -8.525 4 HA MET 1 HA MET 1 -15.229 -22.221 -9.969 5 1HB MET 1 2HB MET 1 -15.832 -19.326 -10.629 6 2HB MET 1 1HB MET 1 -15.423 -20.530 -11.852 7 1HG MET 1 2HG MET 1 -17.686 -20.881 -9.870 8 2HG MET 1 1HG MET 1 -17.908 -20.205 -11.484 9 1HE MET 1 1HE MET 1 -17.830 -22.881 -13.900 10 2HE MET 1 2HE MET 1 -17.571 -21.177 -13.533 11 3HE MET 1 3HE MET 1 -19.105 -21.937 -13.116 12 H ALA 2 H ALA 2 -13.494 -21.834 -11.736 13 HA ALA 2 HA ALA 2 -10.985 -21.689 -10.628 14 1HB ALA 2 1HB ALA 2 -12.110 -21.519 -13.325 15 2HB ALA 2 2HB ALA 2 -10.654 -22.343 -12.766 16 3HB ALA 2 3HB ALA 2 -10.599 -20.624 -13.159 17 H THR 3 H THR 3 -12.375 -19.009 -12.563 18 HA THR 3 HA THR 3 -10.503 -17.094 -11.804 19 HB THR 3 HB THR 3 -13.011 -15.789 -12.042 20 HG1 THR 3 HG1 THR 3 -14.067 -17.452 -12.866 21 1HG2 THR 3 1HG2 THR 3 -11.447 -14.676 -13.246 22 2HG2 THR 3 2HG2 THR 3 -11.888 -15.773 -14.554 23 3HG2 THR 3 3HG2 THR 3 -10.500 -16.136 -13.529 24 H SER 4 H SER 4 -10.223 -15.882 -9.963 25 HA SER 4 HA SER 4 -11.370 -16.655 -7.536 26 1HB SER 4 2HB SER 4 -10.439 -13.836 -7.976 27 2HB SER 4 1HB SER 4 -10.186 -14.886 -6.584 28 HG SER 4 HG SER 4 -8.437 -15.588 -7.500 29 H SER 5 H SER 5 -12.269 -14.269 -6.325 30 HA SER 5 HA SER 5 -14.793 -13.823 -7.808 31 1HB SER 5 2HB SER 5 -14.571 -13.600 -4.820 32 2HB SER 5 1HB SER 5 -15.997 -13.910 -5.805 33 HG SER 5 HG SER 5 -14.619 -15.691 -4.598 34 H GLU 6 H GLU 6 -12.800 -12.350 -5.207 35 HA GLU 6 HA GLU 6 -13.862 -9.758 -5.649 36 1HB GLU 6 2HB GLU 6 -12.671 -10.494 -3.581 37 2HB GLU 6 1HB GLU 6 -11.161 -10.395 -4.469 38 1HG GLU 6 2HG GLU 6 -11.730 -8.340 -3.118 39 2HG GLU 6 1HG GLU 6 -11.468 -8.032 -4.834 40 H GLU 7 H GLU 7 -12.572 -7.939 -6.334 41 HA GLU 7 HA GLU 7 -10.842 -8.632 -8.642 42 1HB GLU 7 2HB GLU 7 -12.704 -6.252 -8.382 43 2HB GLU 7 1HB GLU 7 -11.717 -6.659 -9.786 44 1HG GLU 7 2HG GLU 7 -13.206 -8.985 -9.143 45 2HG GLU 7 1HG GLU 7 -14.336 -7.631 -9.094 46 H VAL 8 H VAL 8 -8.724 -8.102 -7.967 47 HA VAL 8 HA VAL 8 -8.444 -5.821 -6.179 48 HB VAL 8 HB VAL 8 -6.330 -6.737 -5.629 49 1HG1 VAL 8 1HG1 VAL 8 -6.894 -8.875 -4.848 50 2HG1 VAL 8 2HG1 VAL 8 -7.824 -9.263 -6.295 51 3HG1 VAL 8 3HG1 VAL 8 -8.477 -8.140 -5.103 52 1HG2 VAL 8 1HG2 VAL 8 -5.224 -8.474 -6.978 53 2HG2 VAL 8 2HG2 VAL 8 -5.557 -7.054 -7.971 54 3HG2 VAL 8 3HG2 VAL 8 -6.583 -8.482 -8.103 55 H LEU 9 H LEU 9 -6.860 -4.213 -6.646 56 HA LEU 9 HA LEU 9 -6.765 -3.651 -9.530 57 1HB LEU 9 2HB LEU 9 -7.698 -1.878 -8.257 58 2HB LEU 9 1HB LEU 9 -6.387 -1.936 -7.079 59 HG LEU 9 HG LEU 9 -4.789 -1.233 -8.835 60 1HD1 LEU 9 1HD1 LEU 9 -5.384 -1.555 -10.984 61 2HD1 LEU 9 2HD1 LEU 9 -6.512 -0.209 -10.816 62 3HD1 LEU 9 3HD1 LEU 9 -7.058 -1.860 -10.523 63 1HD2 LEU 9 1HD2 LEU 9 -6.243 0.382 -7.394 64 2HD2 LEU 9 2HD2 LEU 9 -7.103 0.699 -8.901 65 3HD2 LEU 9 3HD2 LEU 9 -5.379 1.048 -8.780 66 H LEU 10 H LEU 10 -4.371 -4.255 -6.876 67 HA LEU 10 HA LEU 10 -2.396 -4.768 -8.832 68 1HB LEU 10 2HB LEU 10 -2.339 -2.436 -9.318 69 2HB LEU 10 1HB LEU 10 -2.377 -2.005 -7.609 70 HG LEU 10 HG LEU 10 -0.160 -3.157 -7.339 71 1HD1 LEU 10 1HD1 LEU 10 0.865 -4.234 -9.062 72 2HD1 LEU 10 2HD1 LEU 10 0.367 -3.020 -10.241 73 3HD1 LEU 10 3HD1 LEU 10 -0.754 -4.295 -9.760 74 1HD2 LEU 10 1HD2 LEU 10 -0.176 -0.751 -7.584 75 2HD2 LEU 10 2HD2 LEU 10 -0.390 -0.881 -9.330 76 3HD2 LEU 10 3HD2 LEU 10 1.132 -1.376 -8.590 77 H ILE 11 H ILE 11 -0.542 -5.640 -7.874 78 HA ILE 11 HA ILE 11 -0.326 -5.386 -4.951 79 HB ILE 11 HB ILE 11 -1.470 -7.427 -5.003 80 1HG1 ILE 11 2HG1 ILE 11 1.013 -7.477 -4.089 81 2HG1 ILE 11 1HG1 ILE 11 0.111 -8.974 -4.220 82 1HG2 ILE 11 1HG2 ILE 11 -1.650 -7.688 -7.401 83 2HG2 ILE 11 2HG2 ILE 11 -0.973 -9.179 -6.744 84 3HG2 ILE 11 3HG2 ILE 11 0.080 -8.009 -7.542 85 1HD1 ILE 11 1HD1 ILE 11 2.591 -8.577 -5.299 86 2HD1 ILE 11 2HD1 ILE 11 1.551 -8.221 -6.676 87 3HD1 ILE 11 3HD1 ILE 11 1.443 -9.785 -5.872 88 H VAL 12 H VAL 12 1.769 -5.455 -4.233 89 HA VAL 12 HA VAL 12 3.822 -5.850 -6.320 90 HB VAL 12 HB VAL 12 5.187 -4.363 -4.634 91 1HG1 VAL 12 1HG1 VAL 12 4.546 -2.396 -5.898 92 2HG1 VAL 12 2HG1 VAL 12 2.992 -3.118 -6.316 93 3HG1 VAL 12 3HG1 VAL 12 4.482 -3.785 -6.984 94 1HG2 VAL 12 1HG2 VAL 12 4.005 -3.093 -3.143 95 2HG2 VAL 12 2HG2 VAL 12 2.950 -4.498 -3.158 96 3HG2 VAL 12 3HG2 VAL 12 2.550 -3.080 -4.129 97 H LYS 13 H LYS 13 4.498 -7.871 -5.969 98 HA LYS 13 HA LYS 13 4.536 -9.314 -3.580 99 1HB LYS 13 2HB LYS 13 5.653 -10.929 -4.808 100 2HB LYS 13 1HB LYS 13 4.951 -9.964 -6.097 101 1HG LYS 13 2HG LYS 13 7.758 -9.570 -5.034 102 2HG LYS 13 1HG LYS 13 7.367 -10.506 -6.476 103 1HD LYS 13 2HD LYS 13 6.013 -8.198 -6.994 104 2HD LYS 13 1HD LYS 13 7.388 -7.575 -6.084 105 1HE LYS 13 2HE LYS 13 8.880 -8.111 -7.723 106 2HE LYS 13 1HE LYS 13 8.050 -9.614 -8.123 107 1HZ LYS 13 1HZ LYS 13 6.303 -7.984 -9.012 108 2HZ LYS 13 2HZ LYS 13 7.585 -8.323 -9.908 109 3HZ LYS 13 3HZ LYS 13 7.522 -6.949 -9.091 110 H LYS 14 H LYS 14 6.487 -6.799 -4.610 111 HA LYS 14 HA LYS 14 8.461 -7.446 -2.507 112 1HB LYS 14 2HB LYS 14 8.857 -6.829 -5.214 113 2HB LYS 14 1HB LYS 14 9.310 -5.373 -4.335 114 1HG LYS 14 2HG LYS 14 11.238 -6.908 -4.567 115 2HG LYS 14 1HG LYS 14 10.785 -6.713 -2.873 116 1HD LYS 14 2HD LYS 14 9.895 -8.851 -2.720 117 2HD LYS 14 1HD LYS 14 9.539 -8.938 -4.445 118 1HE LYS 14 2HE LYS 14 11.398 -10.286 -4.436 119 2HE LYS 14 1HE LYS 14 12.220 -8.733 -4.579 120 1HZ LYS 14 1HZ LYS 14 12.295 -10.544 -2.465 121 2HZ LYS 14 2HZ LYS 14 11.771 -9.130 -1.931 122 3HZ LYS 14 3HZ LYS 14 13.180 -9.227 -2.683 123 H VAL 15 H VAL 15 8.243 -6.198 -0.728 124 HA VAL 15 HA VAL 15 7.930 -3.365 -1.126 125 HB VAL 15 HB VAL 15 5.627 -4.891 0.026 126 1HG1 VAL 15 1HG1 VAL 15 4.882 -2.979 1.272 127 2HG1 VAL 15 2HG1 VAL 15 6.183 -1.977 0.639 128 3HG1 VAL 15 3HG1 VAL 15 6.543 -3.260 1.793 129 1HG2 VAL 15 1HG2 VAL 15 4.693 -2.690 -1.175 130 2HG2 VAL 15 2HG2 VAL 15 5.112 -4.146 -2.076 131 3HG2 VAL 15 3HG2 VAL 15 6.252 -2.803 -1.992 132 H ARG 16 H ARG 16 8.571 -2.166 0.639 133 HA ARG 16 HA ARG 16 9.780 -3.764 2.805 134 1HB ARG 16 2HB ARG 16 11.616 -2.992 1.510 135 2HB ARG 16 1HB ARG 16 10.854 -1.441 1.211 136 1HG ARG 16 2HG ARG 16 11.570 -0.567 3.184 137 2HG ARG 16 1HG ARG 16 11.250 -2.059 4.066 138 1HD ARG 16 2HD ARG 16 13.686 -1.341 2.432 139 2HD ARG 16 1HD ARG 16 13.612 -1.829 4.124 140 HE ARG 16 HE ARG 16 12.593 -3.978 2.768 141 1HH1 ARG 16 1HH2 ARG 16 15.448 -2.037 2.609 142 2HH1 ARG 16 2HH2 ARG 16 16.448 -3.330 2.037 143 1HH2 ARG 16 1HH1 ARG 16 13.890 -5.668 2.023 144 2HH2 ARG 16 2HH1 ARG 16 15.569 -5.381 1.706 145 H GLN 17 H GLN 17 9.593 -2.853 4.849 146 HA GLN 17 HA GLN 17 8.344 -0.232 5.020 147 1HB GLN 17 2HB GLN 17 6.612 -1.239 6.628 148 2HB GLN 17 1HB GLN 17 6.356 -1.540 4.918 149 1HG GLN 17 2HG GLN 17 7.239 -3.751 5.065 150 2HG GLN 17 1HG GLN 17 7.772 -3.479 6.713 151 1HE2 GLN 17 1HE2 GLN 17 5.430 -2.132 7.720 152 2HE2 GLN 17 2HE2 GLN 17 4.149 -3.243 7.728 153 H LYS 18 H LYS 18 9.229 0.783 6.761 154 HA LYS 18 HA LYS 18 11.511 0.141 7.916 155 1HB LYS 18 2HB LYS 18 9.478 1.964 8.550 156 2HB LYS 18 1HB LYS 18 9.850 1.142 10.066 157 1HG LYS 18 2HG LYS 18 11.522 2.702 10.167 158 2HG LYS 18 1HG LYS 18 12.360 1.540 9.138 159 1HD LYS 18 2HD LYS 18 10.571 3.485 7.769 160 2HD LYS 18 1HD LYS 18 12.068 4.126 8.447 161 1HE LYS 18 2HE LYS 18 12.191 1.596 6.848 162 2HE LYS 18 1HE LYS 18 12.023 3.129 5.991 163 1HZ LYS 18 1HZ LYS 18 14.004 3.003 8.056 164 2HZ LYS 18 2HZ LYS 18 14.051 3.765 6.650 165 3HZ LYS 18 3HZ LYS 18 14.331 2.191 6.715 166 H LYS 19 H LYS 19 8.525 -1.515 8.736 167 HA LYS 19 HA LYS 19 9.685 -2.698 11.094 168 1HB LYS 19 2HB LYS 19 7.630 -3.846 11.339 169 2HB LYS 19 1HB LYS 19 7.165 -2.310 10.624 170 1HG LYS 19 2HG LYS 19 7.033 -3.384 8.380 171 2HG LYS 19 1HG LYS 19 7.527 -4.924 9.086 172 1HD LYS 19 2HD LYS 19 5.028 -3.380 9.816 173 2HD LYS 19 1HD LYS 19 5.093 -4.815 8.787 174 1HE LYS 19 2HE LYS 19 4.928 -6.084 10.641 175 2HE LYS 19 1HE LYS 19 6.506 -5.479 11.145 176 1HZ LYS 19 1HZ LYS 19 5.335 -4.651 12.818 177 2HZ LYS 19 2HZ LYS 19 3.925 -4.733 12.065 178 3HZ LYS 19 3HZ LYS 19 4.900 -3.492 11.802 179 H GLN 20 H GLN 20 8.757 -3.940 7.900 180 HA GLN 20 HA GLN 20 10.944 -5.852 7.920 181 1HB GLN 20 2HB GLN 20 8.018 -6.571 7.852 182 2HB GLN 20 1HB GLN 20 9.298 -7.676 7.350 183 1HG GLN 20 2HG GLN 20 9.318 -6.313 10.017 184 2HG GLN 20 1HG GLN 20 8.501 -7.854 9.781 185 1HE2 GLN 20 1HE2 GLN 20 11.575 -6.378 10.338 186 2HE2 GLN 20 2HE2 GLN 20 12.525 -7.770 10.139 187 H ASP 21 H ASP 21 10.939 -7.070 5.787 188 HA ASP 21 HA ASP 21 9.919 -5.256 3.694 189 1HB ASP 21 2HB ASP 21 11.858 -7.483 3.129 190 2HB ASP 21 1HB ASP 21 11.697 -5.927 2.306 191 H GLY 22 H GLY 22 8.305 -6.098 2.527 192 1HA GLY 22 2HA GLY 22 7.811 -8.934 2.414 193 2HA GLY 22 1HA GLY 22 6.706 -8.073 3.453 194 H ALA 23 H ALA 23 5.853 -9.405 1.167 195 HA ALA 23 HA ALA 23 5.528 -7.553 -0.959 196 1HB ALA 23 1HB ALA 23 4.036 -9.333 -1.859 197 2HB ALA 23 2HB ALA 23 4.204 -10.198 -0.335 198 3HB ALA 23 3HB ALA 23 5.609 -9.958 -1.367 199 H LEU 24 H LEU 24 4.111 -6.227 -1.250 200 HA LEU 24 HA LEU 24 1.784 -5.966 0.566 201 1HB LEU 24 2HB LEU 24 3.687 -4.156 -0.579 202 2HB LEU 24 1HB LEU 24 2.087 -3.665 -1.101 203 HG LEU 24 HG LEU 24 3.169 -3.958 1.687 204 1HD1 LEU 24 1HD1 LEU 24 3.476 -1.754 1.170 205 2HD1 LEU 24 2HD1 LEU 24 1.745 -1.619 1.482 206 3HD1 LEU 24 3HD1 LEU 24 2.332 -1.812 -0.166 207 1HD2 LEU 24 1HD2 LEU 24 0.722 -3.260 2.278 208 2HD2 LEU 24 2HD2 LEU 24 1.064 -4.963 1.975 209 3HD2 LEU 24 3HD2 LEU 24 0.316 -3.976 0.718 210 H TYR 25 H TYR 25 -0.267 -6.061 -0.192 211 HA TYR 25 HA TYR 25 -0.667 -6.516 -3.096 212 1HB TYR 25 2HB TYR 25 -1.710 -7.768 -0.605 213 2HB TYR 25 1HB TYR 25 -2.896 -7.489 -1.874 214 HD1 TYR 25 HD1 TYR 25 0.287 -9.185 -1.040 215 HD2 TYR 25 HD2 TYR 25 -2.903 -8.776 -3.883 216 HE1 TYR 25 HE1 TYR 25 1.068 -11.237 -2.190 217 HE2 TYR 25 HE2 TYR 25 -2.131 -10.837 -5.044 218 HH TYR 25 HH TYR 25 0.780 -12.581 -3.941 219 H LEU 26 H LEU 26 -2.242 -5.083 -4.102 220 HA LEU 26 HA LEU 26 -3.643 -3.338 -2.191 221 1HB LEU 26 2HB LEU 26 -1.939 -2.485 -4.086 222 2HB LEU 26 1HB LEU 26 -3.377 -2.664 -5.091 223 HG LEU 26 HG LEU 26 -3.212 -1.056 -2.525 224 1HD1 LEU 26 1HD1 LEU 26 -2.740 -0.436 -5.357 225 2HD1 LEU 26 2HD1 LEU 26 -2.300 0.483 -3.918 226 3HD1 LEU 26 3HD1 LEU 26 -3.921 0.629 -4.595 227 1HD2 LEU 26 1HD2 LEU 26 -5.455 -1.421 -2.529 228 2HD2 LEU 26 2HD2 LEU 26 -5.436 -2.048 -4.178 229 3HD2 LEU 26 3HD2 LEU 26 -5.488 -0.308 -3.896 230 H MET 27 H MET 27 -5.853 -3.485 -2.283 231 HA MET 27 HA MET 27 -6.997 -5.057 -4.508 232 1HB MET 27 2HB MET 27 -7.075 -6.410 -2.499 233 2HB MET 27 1HB MET 27 -7.711 -5.058 -1.567 234 1HG MET 27 2HG MET 27 -9.832 -5.387 -2.304 235 2HG MET 27 1HG MET 27 -9.300 -5.694 -3.955 236 1HE MET 27 1HE MET 27 -8.166 -6.927 -0.737 237 2HE MET 27 2HE MET 27 -7.370 -8.321 -1.461 238 3HE MET 27 3HE MET 27 -8.819 -8.550 -0.485 239 H ALA 28 H ALA 28 -9.097 -4.350 -5.160 240 HA ALA 28 HA ALA 28 -9.542 -1.746 -5.578 241 1HB ALA 28 1HB ALA 28 -11.182 -4.121 -5.534 242 2HB ALA 28 2HB ALA 28 -11.352 -2.675 -6.533 243 3HB ALA 28 3HB ALA 28 -12.111 -2.741 -4.942 244 H GLU 29 H GLU 29 -10.956 -3.377 -2.641 245 HA GLU 29 HA GLU 29 -11.314 -0.666 -1.596 246 1HB GLU 29 2HB GLU 29 -13.315 -1.943 -1.597 247 2HB GLU 29 1HB GLU 29 -12.483 -3.366 -0.968 248 1HG GLU 29 2HG GLU 29 -12.547 -2.612 1.194 249 2HG GLU 29 1HG GLU 29 -12.345 -0.924 0.729 250 H ARG 30 H ARG 30 -8.892 -3.066 -1.275 251 HA ARG 30 HA ARG 30 -8.202 -1.812 1.260 252 1HB ARG 30 2HB ARG 30 -8.304 -3.673 2.635 253 2HB ARG 30 1HB ARG 30 -9.777 -3.805 1.700 254 1HG ARG 30 2HG ARG 30 -7.722 -5.132 0.256 255 2HG ARG 30 1HG ARG 30 -7.610 -5.653 1.937 256 1HD ARG 30 2HD ARG 30 -9.179 -7.126 0.842 257 2HD ARG 30 1HD ARG 30 -10.108 -6.050 1.882 258 HE ARG 30 HE ARG 30 -10.015 -4.769 -0.557 259 1HH1 ARG 30 1HH2 ARG 30 -10.939 -7.882 0.634 260 2HH1 ARG 30 2HH2 ARG 30 -12.184 -8.108 -0.547 261 1HH2 ARG 30 1HH1 ARG 30 -11.651 -5.054 -2.096 262 2HH2 ARG 30 2HH1 ARG 30 -12.586 -6.512 -2.089 263 H ILE 31 H ILE 31 -6.180 -2.465 2.133 264 HA ILE 31 HA ILE 31 -4.307 -3.293 -0.010 265 HB ILE 31 HB ILE 31 -4.137 -1.311 2.241 266 1HG1 ILE 31 2HG1 ILE 31 -3.399 -1.488 -0.681 267 2HG1 ILE 31 1HG1 ILE 31 -4.482 -0.348 0.114 268 1HG2 ILE 31 1HG2 ILE 31 -2.296 -2.936 2.687 269 2HG2 ILE 31 2HG2 ILE 31 -1.679 -1.367 2.168 270 3HG2 ILE 31 3HG2 ILE 31 -1.724 -2.716 1.033 271 1HD1 ILE 31 1HD1 ILE 31 -1.480 -0.467 0.524 272 2HD1 ILE 31 2HD1 ILE 31 -2.581 0.707 1.247 273 3HD1 ILE 31 3HD1 ILE 31 -2.316 0.703 -0.497 274 H ALA 32 H ALA 32 -3.146 -5.141 0.329 275 HA ALA 32 HA ALA 32 -3.359 -6.393 3.004 276 1HB ALA 32 1HB ALA 32 -2.879 -8.515 1.538 277 2HB ALA 32 2HB ALA 32 -3.493 -7.503 0.231 278 3HB ALA 32 3HB ALA 32 -4.515 -7.860 1.623 279 H TRP 33 H TRP 33 -1.605 -7.770 3.622 280 HA TRP 33 HA TRP 33 0.920 -7.057 2.284 281 1HB TRP 33 2HB TRP 33 0.634 -5.579 4.266 282 2HB TRP 33 1HB TRP 33 0.590 -7.016 5.279 283 HD1 TRP 33 HD1 TRP 33 2.804 -6.196 2.261 284 HE1 TRP 33 HE1 TRP 33 5.251 -6.416 3.004 285 HE3 TRP 33 HE3 TRP 33 2.263 -7.449 7.206 286 HZ2 TRP 33 HZ2 TRP 33 6.790 -7.044 5.188 287 HZ3 TRP 33 HZ3 TRP 33 4.286 -7.898 8.579 288 HH2 TRP 33 HH2 TRP 33 6.548 -7.719 7.557 289 H ALA 34 H ALA 34 2.472 -8.569 2.384 290 HA ALA 34 HA ALA 34 2.098 -10.961 3.980 291 1HB ALA 34 1HB ALA 34 0.879 -11.742 2.198 292 2HB ALA 34 2HB ALA 34 2.505 -12.298 1.794 293 3HB ALA 34 3HB ALA 34 1.842 -10.860 1.012 294 HA PRO 35 HA PRO 35 6.422 -9.891 3.773 295 1HB PRO 35 2HB PRO 35 6.930 -11.574 6.031 296 2HB PRO 35 1HB PRO 35 6.869 -9.806 5.993 297 1HG PRO 35 2HG PRO 35 4.937 -11.630 7.135 298 2HG PRO 35 1HG PRO 35 4.918 -9.862 7.157 299 1HD PRO 35 2HD PRO 35 3.247 -11.609 5.611 300 2HD PRO 35 1HD PRO 35 3.268 -9.836 5.598 301 H GLU 36 H GLU 36 8.386 -11.255 3.538 302 HA GLU 36 HA GLU 36 7.913 -13.498 1.869 303 1HB GLU 36 2HB GLU 36 10.263 -12.105 3.017 304 2HB GLU 36 1HB GLU 36 10.513 -13.794 2.577 305 1HG GLU 36 2HG GLU 36 9.704 -13.364 0.313 306 2HG GLU 36 1HG GLU 36 9.333 -11.693 0.737 307 H GLY 37 H GLY 37 7.697 -13.247 5.216 308 1HA GLY 37 2HA GLY 37 8.907 -15.380 6.364 309 2HA GLY 37 1HA GLY 37 7.253 -14.920 6.760 310 H LYS 38 H LYS 38 5.524 -16.140 5.882 311 HA LYS 38 HA LYS 38 6.110 -18.197 3.914 312 1HB LYS 38 2HB LYS 38 4.945 -19.232 6.465 313 2HB LYS 38 1HB LYS 38 5.897 -20.074 5.244 314 1HG LYS 38 2HG LYS 38 7.931 -18.983 5.995 315 2HG LYS 38 1HG LYS 38 7.018 -17.970 7.115 316 1HD LYS 38 2HD LYS 38 7.083 -20.998 7.245 317 2HD LYS 38 1HD LYS 38 8.117 -19.948 8.214 318 1HE LYS 38 2HE LYS 38 6.445 -19.477 9.656 319 2HE LYS 38 1HE LYS 38 5.315 -19.142 8.344 320 1HZ LYS 38 1HZ LYS 38 4.921 -21.143 9.836 321 2HZ LYS 38 2HZ LYS 38 6.044 -21.873 8.960 322 3HZ LYS 38 3HZ LYS 38 4.714 -21.325 8.259 323 H ASP 39 H ASP 39 3.703 -17.398 6.457 324 HA ASP 39 HA ASP 39 1.465 -18.364 5.164 325 1HB ASP 39 2HB ASP 39 2.039 -16.765 7.434 326 2HB ASP 39 1HB ASP 39 0.786 -15.931 6.514 327 H ARG 40 H ARG 40 1.880 -17.822 2.896 328 HA ARG 40 HA ARG 40 2.245 -15.840 1.381 329 1HB ARG 40 2HB ARG 40 -0.370 -16.162 0.504 330 2HB ARG 40 1HB ARG 40 1.038 -17.048 -0.046 331 1HG ARG 40 2HG ARG 40 -0.360 -18.793 0.582 332 2HG ARG 40 1HG ARG 40 0.548 -18.564 2.068 333 1HD ARG 40 2HD ARG 40 -1.624 -16.730 2.125 334 2HD ARG 40 1HD ARG 40 -2.273 -18.295 1.641 335 HE ARG 40 HE ARG 40 -0.645 -18.894 3.751 336 1HH1 ARG 40 1HH2 ARG 40 -3.211 -16.662 3.140 337 2HH1 ARG 40 2HH2 ARG 40 -3.791 -16.686 4.771 338 1HH2 ARG 40 1HH1 ARG 40 -1.396 -18.934 5.877 339 2HH2 ARG 40 2HH1 ARG 40 -2.766 -17.970 6.318 340 H PHE 41 H PHE 41 -0.668 -15.679 3.302 341 HA PHE 41 HA PHE 41 -0.717 -12.794 2.663 342 1HB PHE 41 2HB PHE 41 -2.878 -14.787 3.148 343 2HB PHE 41 1HB PHE 41 -3.160 -13.115 3.648 344 HD1 PHE 41 HD1 PHE 41 -3.542 -15.306 0.979 345 HD2 PHE 41 HD2 PHE 41 -2.147 -11.332 1.858 346 HE1 PHE 41 HE1 PHE 41 -3.872 -14.670 -1.393 347 HE2 PHE 41 HE2 PHE 41 -2.480 -10.697 -0.524 348 HZ PHE 41 HZ PHE 41 -3.337 -12.373 -2.142 349 H THR 42 H THR 42 -0.929 -11.278 4.334 350 HA THR 42 HA THR 42 -0.641 -12.404 7.042 351 HB THR 42 HB THR 42 1.387 -11.190 5.652 352 HG1 THR 42 HG1 THR 42 2.147 -11.999 7.403 353 1HG2 THR 42 1HG2 THR 42 0.660 -9.055 7.621 354 2HG2 THR 42 2HG2 THR 42 -0.020 -8.978 6.004 355 3HG2 THR 42 3HG2 THR 42 1.718 -8.977 6.213 356 H ILE 43 H ILE 43 -1.547 -9.523 5.197 357 HA ILE 43 HA ILE 43 -3.791 -9.169 7.080 358 HB ILE 43 HB ILE 43 -3.217 -6.746 7.427 359 1HG1 ILE 43 2HG1 ILE 43 -0.378 -7.348 6.842 360 2HG1 ILE 43 1HG1 ILE 43 -1.415 -7.131 5.432 361 1HG2 ILE 43 1HG2 ILE 43 -2.793 -8.518 9.122 362 2HG2 ILE 43 2HG2 ILE 43 -1.588 -7.232 9.192 363 3HG2 ILE 43 3HG2 ILE 43 -1.192 -8.772 8.428 364 1HD1 ILE 43 1HD1 ILE 43 -2.107 -5.097 7.289 365 2HD1 ILE 43 2HD1 ILE 43 -1.306 -4.906 5.729 366 3HD1 ILE 43 3HD1 ILE 43 -0.346 -5.128 7.192 367 H SER 44 H SER 44 -5.034 -7.025 6.481 368 HA SER 44 HA SER 44 -5.004 -6.180 3.778 369 1HB SER 44 2HB SER 44 -7.584 -7.389 4.046 370 2HB SER 44 1HB SER 44 -6.367 -7.690 2.809 371 HG SER 44 HG SER 44 -5.577 -9.338 3.973 372 H HIS 45 H HIS 45 -5.558 -4.059 4.242 373 HA HIS 45 HA HIS 45 -7.572 -3.654 6.376 374 1HB HIS 45 2HB HIS 45 -6.331 -1.223 5.507 375 2HB HIS 45 1HB HIS 45 -6.318 -1.946 7.113 376 HD1 HIS 45 HD1 HIS 45 -4.084 -2.728 7.909 377 HD2 HIS 45 HD2 HIS 45 -4.218 -2.402 3.759 378 HE1 HIS 45 HE1 HIS 45 -1.729 -3.155 7.084 379 H MET 46 H MET 46 -9.541 -3.106 5.679 380 HA MET 46 HA MET 46 -10.101 -2.489 2.966 381 1HB MET 46 2HB MET 46 -11.592 -2.805 5.469 382 2HB MET 46 1HB MET 46 -12.266 -1.560 4.418 383 1HG MET 46 2HG MET 46 -13.296 -3.321 3.397 384 2HG MET 46 1HG MET 46 -11.735 -3.527 2.603 385 1HE MET 46 1HE MET 46 -13.209 -4.081 6.161 386 2HE MET 46 2HE MET 46 -13.420 -5.830 6.193 387 3HE MET 46 3HE MET 46 -14.333 -4.861 5.040 388 H TYR 47 H TYR 47 -9.214 -0.706 2.174 389 HA TYR 47 HA TYR 47 -8.268 1.569 3.065 390 1HB TYR 47 2HB TYR 47 -9.947 0.921 0.708 391 2HB TYR 47 1HB TYR 47 -9.772 2.626 1.070 392 HD1 TYR 47 HD1 TYR 47 -6.796 1.689 2.380 393 HD2 TYR 47 HD2 TYR 47 -8.751 1.574 -1.462 394 HE1 TYR 47 HE1 TYR 47 -4.616 1.709 1.256 395 HE2 TYR 47 HE2 TYR 47 -6.556 1.588 -2.554 396 HH TYR 47 HH TYR 47 -4.125 0.811 -1.822 397 H ALA 48 H ALA 48 -11.836 1.056 2.973 398 HA ALA 48 HA ALA 48 -12.396 3.716 3.858 399 1HB ALA 48 1HB ALA 48 -14.186 2.516 2.846 400 2HB ALA 48 2HB ALA 48 -14.616 2.654 4.554 401 3HB ALA 48 3HB ALA 48 -13.968 1.137 3.929 402 H ASP 49 H ASP 49 -12.080 0.634 5.501 403 HA ASP 49 HA ASP 49 -12.471 1.591 8.158 404 1HB ASP 49 2HB ASP 49 -10.821 -0.753 7.169 405 2HB ASP 49 1HB ASP 49 -11.284 -0.476 8.848 406 H ILE 50 H ILE 50 -10.006 2.124 5.912 407 HA ILE 50 HA ILE 50 -8.123 2.862 8.068 408 HB ILE 50 HB ILE 50 -6.998 3.006 5.395 409 1HG1 ILE 50 2HG1 ILE 50 -8.702 1.206 4.979 410 2HG1 ILE 50 1HG1 ILE 50 -7.039 0.652 4.820 411 1HG2 ILE 50 1HG2 ILE 50 -6.427 1.659 8.003 412 2HG2 ILE 50 2HG2 ILE 50 -5.475 2.865 7.143 413 3HG2 ILE 50 3HG2 ILE 50 -5.511 1.196 6.573 414 1HD1 ILE 50 1HD1 ILE 50 -7.095 -0.260 7.094 415 2HD1 ILE 50 2HD1 ILE 50 -8.406 -0.946 6.136 416 3HD1 ILE 50 3HD1 ILE 50 -8.742 0.325 7.306 417 H LYS 51 H LYS 51 -8.138 5.210 8.430 418 HA LYS 51 HA LYS 51 -8.429 6.707 5.898 419 1HB LYS 51 2HB LYS 51 -10.649 6.758 6.902 420 2HB LYS 51 1HB LYS 51 -9.964 7.314 8.427 421 1HG LYS 51 2HG LYS 51 -10.874 9.179 6.963 422 2HG LYS 51 1HG LYS 51 -9.181 9.355 7.439 423 1HD LYS 51 2HD LYS 51 -8.373 8.763 5.326 424 2HD LYS 51 1HD LYS 51 -9.885 7.982 4.864 425 1HE LYS 51 2HE LYS 51 -9.771 10.089 3.689 426 2HE LYS 51 1HE LYS 51 -10.993 10.248 4.950 427 1HZ LYS 51 1HZ LYS 51 -9.533 11.464 6.236 428 2HZ LYS 51 2HZ LYS 51 -9.296 12.057 4.769 429 3HZ LYS 51 3HZ LYS 51 -8.236 11.038 5.400 430 H CYS 52 H CYS 52 -6.488 7.514 5.843 431 HA CYS 52 HA CYS 52 -5.825 9.844 7.066 432 1HB CYS 52 2HB CYS 52 -5.085 7.495 8.605 433 2HB CYS 52 1HB CYS 52 -3.743 8.590 8.302 434 HG CYS 52 HG CYS 52 -4.707 10.148 9.967 435 H GLN 53 H GLN 53 -4.475 10.616 5.491 436 HA GLN 53 HA GLN 53 -2.546 8.649 4.392 437 1HB GLN 53 2HB GLN 53 -4.618 10.234 2.899 438 2HB GLN 53 1HB GLN 53 -3.142 9.702 2.094 439 1HG GLN 53 2HG GLN 53 -4.147 7.489 3.581 440 2HG GLN 53 1HG GLN 53 -5.490 8.175 2.675 441 1HE2 GLN 53 1HE2 GLN 53 -5.046 5.865 1.589 442 2HE2 GLN 53 2HE2 GLN 53 -4.012 5.898 0.242 443 H LYS 54 H LYS 54 -0.650 9.353 4.362 444 HA LYS 54 HA LYS 54 -0.045 12.213 3.958 445 1HB LYS 54 2HB LYS 54 0.452 12.103 6.208 446 2HB LYS 54 1HB LYS 54 0.596 10.342 6.185 447 1HG LYS 54 2HG LYS 54 2.833 10.396 5.681 448 2HG LYS 54 1HG LYS 54 2.701 11.880 4.736 449 1HD LYS 54 2HD LYS 54 2.451 13.194 6.799 450 2HD LYS 54 1HD LYS 54 2.537 11.717 7.760 451 1HE LYS 54 2HE LYS 54 4.805 11.375 7.269 452 2HE LYS 54 1HE LYS 54 4.746 12.396 5.833 453 1HZ LYS 54 1HZ LYS 54 4.882 13.190 8.604 454 2HZ LYS 54 2HZ LYS 54 4.183 14.178 7.558 455 3HZ LYS 54 3HZ LYS 54 5.711 13.750 7.354 456 H ILE 55 H ILE 55 1.072 12.227 2.010 457 HA ILE 55 HA ILE 55 2.857 9.921 1.497 458 HB ILE 55 HB ILE 55 2.643 10.495 -0.885 459 1HG1 ILE 55 2HG1 ILE 55 0.496 12.238 -1.031 460 2HG1 ILE 55 1HG1 ILE 55 1.461 12.917 0.281 461 1HG2 ILE 55 1HG2 ILE 55 0.887 9.103 0.479 462 2HG2 ILE 55 2HG2 ILE 55 0.507 9.590 -1.173 463 3HG2 ILE 55 3HG2 ILE 55 -0.166 10.488 0.187 464 1HD1 ILE 55 1HD1 ILE 55 2.477 13.920 -1.551 465 2HD1 ILE 55 2HD1 ILE 55 2.185 12.535 -2.602 466 3HD1 ILE 55 3HD1 ILE 55 3.465 12.467 -1.390 467 H SER 56 H SER 56 4.829 10.602 2.292 468 HA SER 56 HA SER 56 5.737 13.246 1.352 469 1HB SER 56 2HB SER 56 5.752 12.016 3.973 470 2HB SER 56 1HB SER 56 7.376 12.484 3.477 471 HG SER 56 HG SER 56 6.372 14.243 4.434 472 HA PRO 57 HA PRO 57 9.011 10.189 0.338 473 1HB PRO 57 2HB PRO 57 8.049 8.835 -2.020 474 2HB PRO 57 1HB PRO 57 8.525 8.168 -0.456 475 1HG PRO 57 2HG PRO 57 5.883 8.420 -1.504 476 2HG PRO 57 1HG PRO 57 6.360 7.740 0.044 477 1HD PRO 57 2HD PRO 57 5.058 10.262 -0.437 478 2HD PRO 57 1HD PRO 57 5.552 9.555 1.109 479 H GLU 58 H GLU 58 8.493 12.806 -0.386 480 HA GLU 58 HA GLU 58 9.019 13.000 -3.261 481 1HB GLU 58 2HB GLU 58 8.096 14.827 -1.115 482 2HB GLU 58 1HB GLU 58 9.151 15.552 -2.329 483 1HG GLU 58 2HG GLU 58 7.679 14.689 -4.119 484 2HG GLU 58 1HG GLU 58 6.615 13.989 -2.899 485 H GLY 59 H GLY 59 10.606 13.200 -0.141 486 1HA GLY 59 2HA GLY 59 13.164 13.478 -1.538 487 2HA GLY 59 1HA GLY 59 12.802 14.585 -0.205 488 H LYS 60 H LYS 60 11.847 11.199 -0.512 489 HA LYS 60 HA LYS 60 13.096 10.677 2.099 490 1HB LYS 60 2HB LYS 60 11.033 9.191 0.437 491 2HB LYS 60 1HB LYS 60 11.647 8.590 1.974 492 1HG LYS 60 2HG LYS 60 10.400 11.326 1.661 493 2HG LYS 60 1HG LYS 60 9.483 9.895 2.132 494 1HD LYS 60 2HD LYS 60 10.167 10.143 4.258 495 2HD LYS 60 1HD LYS 60 11.847 10.006 3.739 496 1HE LYS 60 2HE LYS 60 12.186 12.215 4.022 497 2HE LYS 60 1HE LYS 60 10.768 12.609 3.050 498 1HZ LYS 60 1HZ LYS 60 9.622 11.800 5.231 499 2HZ LYS 60 2HZ LYS 60 10.074 13.323 5.041 500 3HZ LYS 60 3HZ LYS 60 10.985 12.320 5.892 501 H ALA 61 H ALA 61 12.966 7.697 1.138 502 HA ALA 61 HA ALA 61 15.641 7.756 -0.068 503 1HB ALA 61 1HB ALA 61 14.941 5.105 0.458 504 2HB ALA 61 2HB ALA 61 14.233 6.000 1.803 505 3HB ALA 61 3HB ALA 61 15.962 6.123 1.474 506 H LYS 62 H LYS 62 12.300 6.989 -0.588 507 HA LYS 62 HA LYS 62 12.625 6.853 -3.348 508 1HB LYS 62 2HB LYS 62 11.602 4.372 -3.331 509 2HB LYS 62 1HB LYS 62 13.319 4.696 -3.547 510 1HG LYS 62 2HG LYS 62 12.652 4.688 -0.736 511 2HG LYS 62 1HG LYS 62 12.109 3.196 -1.494 512 1HD LYS 62 2HD LYS 62 14.894 4.336 -1.821 513 2HD LYS 62 1HD LYS 62 14.465 3.100 -0.636 514 1HE LYS 62 2HE LYS 62 13.936 1.513 -2.313 515 2HE LYS 62 1HE LYS 62 13.844 2.747 -3.569 516 1HZ LYS 62 1HZ LYS 62 15.972 1.276 -3.141 517 2HZ LYS 62 2HZ LYS 62 16.350 2.535 -2.229 518 3HZ LYS 62 3HZ LYS 62 16.044 2.739 -3.786 519 H ILE 63 H ILE 63 10.595 5.010 -1.333 520 HA ILE 63 HA ILE 63 8.389 6.863 -1.677 521 HB ILE 63 HB ILE 63 8.040 6.019 -3.714 522 1HG1 ILE 63 2HG1 ILE 63 6.639 3.647 -2.672 523 2HG1 ILE 63 1HG1 ILE 63 6.223 5.143 -1.839 524 1HG2 ILE 63 1HG2 ILE 63 8.324 3.280 -3.823 525 2HG2 ILE 63 2HG2 ILE 63 9.557 3.714 -2.637 526 3HG2 ILE 63 3HG2 ILE 63 9.588 4.429 -4.254 527 1HD1 ILE 63 1HD1 ILE 63 6.318 5.062 -4.843 528 2HD1 ILE 63 2HD1 ILE 63 5.423 6.159 -3.791 529 3HD1 ILE 63 3HD1 ILE 63 4.888 4.490 -3.984 530 H GLN 64 H GLN 64 8.347 6.835 0.628 531 HA GLN 64 HA GLN 64 7.199 4.348 1.763 532 1HB GLN 64 2HB GLN 64 7.755 5.718 3.971 533 2HB GLN 64 1HB GLN 64 9.003 4.769 3.166 534 1HG GLN 64 2HG GLN 64 9.693 6.819 1.913 535 2HG GLN 64 1HG GLN 64 8.518 7.745 2.848 536 1HE2 GLN 64 1HE2 GLN 64 10.868 5.174 3.803 537 2HE2 GLN 64 2HE2 GLN 64 11.601 6.097 5.025 538 H LEU 65 H LEU 65 5.060 4.499 2.431 539 HA LEU 65 HA LEU 65 3.961 7.232 2.496 540 1HB LEU 65 2HB LEU 65 1.854 6.369 1.577 541 2HB LEU 65 1HB LEU 65 3.207 6.089 0.494 542 HG LEU 65 HG LEU 65 1.645 4.149 0.666 543 1HD1 LEU 65 1HD1 LEU 65 4.363 4.122 0.514 544 2HD1 LEU 65 2HD1 LEU 65 3.335 2.704 0.311 545 3HD1 LEU 65 3HD1 LEU 65 4.082 3.032 1.872 546 1HD2 LEU 65 1HD2 LEU 65 1.275 2.948 2.618 547 2HD2 LEU 65 2HD2 LEU 65 1.344 4.598 3.239 548 3HD2 LEU 65 3HD2 LEU 65 2.746 3.542 3.383 549 H GLN 66 H GLN 66 1.879 7.402 3.783 550 HA GLN 66 HA GLN 66 1.901 5.520 6.060 551 1HB GLN 66 2HB GLN 66 2.873 8.135 6.154 552 2HB GLN 66 1HB GLN 66 1.252 8.245 6.841 553 1HG GLN 66 2HG GLN 66 1.785 6.368 8.371 554 2HG GLN 66 1HG GLN 66 3.418 6.305 7.706 555 1HE2 GLN 66 1HE2 GLN 66 4.951 7.654 8.685 556 2HE2 GLN 66 2HE2 GLN 66 4.578 8.929 9.741 557 H LEU 67 H LEU 67 -0.066 4.842 6.584 558 HA LEU 67 HA LEU 67 -2.430 6.423 5.807 559 1HB LEU 67 2HB LEU 67 -2.349 4.770 4.101 560 2HB LEU 67 1HB LEU 67 -1.809 3.525 5.221 561 HG LEU 67 HG LEU 67 -4.245 4.281 6.303 562 1HD1 LEU 67 1HD1 LEU 67 -5.257 5.476 4.628 563 2HD1 LEU 67 2HD1 LEU 67 -5.589 3.863 3.988 564 3HD1 LEU 67 3HD1 LEU 67 -4.218 4.793 3.376 565 1HD2 LEU 67 1HD2 LEU 67 -3.871 2.006 6.226 566 2HD2 LEU 67 2HD2 LEU 67 -3.221 2.064 4.587 567 3HD2 LEU 67 3HD2 LEU 67 -4.966 2.148 4.847 568 H VAL 68 H VAL 68 -3.842 6.591 7.552 569 HA VAL 68 HA VAL 68 -3.217 4.771 9.788 570 HB VAL 68 HB VAL 68 -4.741 7.311 10.245 571 1HG1 VAL 68 1HG1 VAL 68 -2.864 5.571 11.852 572 2HG1 VAL 68 2HG1 VAL 68 -4.608 5.741 12.089 573 3HG1 VAL 68 3HG1 VAL 68 -3.535 7.093 12.432 574 1HG2 VAL 68 1HG2 VAL 68 -2.184 7.252 9.125 575 2HG2 VAL 68 2HG2 VAL 68 -1.919 7.440 10.856 576 3HG2 VAL 68 3HG2 VAL 68 -2.914 8.608 9.985 577 H LEU 69 H LEU 69 -4.915 4.140 11.115 578 HA LEU 69 HA LEU 69 -7.176 3.254 9.544 579 1HB LEU 69 2HB LEU 69 -6.207 2.710 12.358 580 2HB LEU 69 1HB LEU 69 -7.577 1.894 11.626 581 HG LEU 69 HG LEU 69 -5.080 0.885 11.564 582 1HD1 LEU 69 1HD1 LEU 69 -7.349 0.693 9.678 583 2HD1 LEU 69 2HD1 LEU 69 -6.652 -0.534 10.737 584 3HD1 LEU 69 3HD1 LEU 69 -5.828 -0.091 9.232 585 1HD2 LEU 69 1HD2 LEU 69 -4.212 1.205 9.214 586 2HD2 LEU 69 2HD2 LEU 69 -3.986 2.585 10.281 587 3HD2 LEU 69 3HD2 LEU 69 -5.282 2.595 9.091 588 H HIS 70 H HIS 70 -9.386 3.742 10.110 589 HA HIS 70 HA HIS 70 -10.018 6.284 11.031 590 1HB HIS 70 2HB HIS 70 -11.488 3.659 11.021 591 2HB HIS 70 1HB HIS 70 -12.191 5.020 11.894 592 HD1 HIS 70 HD1 HIS 70 -13.249 6.875 10.523 593 HD2 HIS 70 HD2 HIS 70 -11.137 4.159 8.170 594 HE1 HIS 70 HE1 HIS 70 -13.784 7.447 8.115 595 H ALA 71 H ALA 71 -9.225 3.359 12.660 596 HA ALA 71 HA ALA 71 -9.786 4.304 15.336 597 1HB ALA 71 1HB ALA 71 -9.233 2.176 16.010 598 2HB ALA 71 2HB ALA 71 -7.883 2.059 14.881 599 3HB ALA 71 3HB ALA 71 -9.535 1.821 14.310 600 H GLY 72 H GLY 72 -7.196 3.268 16.392 601 1HA GLY 72 2HA GLY 72 -5.571 5.630 15.699 602 2HA GLY 72 1HA GLY 72 -5.563 4.822 17.269 603 H ASP 73 H ASP 73 -5.317 3.692 13.974 604 HA ASP 73 HA ASP 73 -2.756 2.386 14.729 605 1HB ASP 73 2HB ASP 73 -5.185 1.277 13.384 606 2HB ASP 73 1HB ASP 73 -3.604 0.668 12.889 607 H THR 74 H THR 74 -1.141 2.497 13.240 608 HA THR 74 HA THR 74 -1.738 4.174 10.890 609 HB THR 74 HB THR 74 1.073 3.727 11.701 610 HG1 THR 74 HG1 THR 74 -0.825 5.112 13.277 611 1HG2 THR 74 1HG2 THR 74 -0.254 5.422 10.013 612 2HG2 THR 74 2HG2 THR 74 1.353 5.731 10.670 613 3HG2 THR 74 3HG2 THR 74 -0.067 6.434 11.445 614 H THR 75 H THR 75 -0.684 3.635 8.904 615 HA THR 75 HA THR 75 0.265 0.854 8.729 616 HB THR 75 HB THR 75 -1.322 2.101 6.507 617 HG1 THR 75 HG1 THR 75 -2.573 0.566 8.497 618 1HG2 THR 75 1HG2 THR 75 -1.974 -0.359 6.284 619 2HG2 THR 75 2HG2 THR 75 -0.761 -0.689 7.522 620 3HG2 THR 75 3HG2 THR 75 -0.279 0.023 5.982 621 H ASN 76 H ASN 76 2.451 1.358 8.320 622 HA ASN 76 HA ASN 76 2.924 3.502 6.343 623 1HB ASN 76 2HB ASN 76 4.848 2.317 8.359 624 2HB ASN 76 1HB ASN 76 5.136 3.715 7.322 625 1HD2 ASN 76 1HD2 ASN 76 5.436 5.046 9.310 626 2HD2 ASN 76 2HD2 ASN 76 4.084 5.556 10.200 627 H PHE 77 H PHE 77 4.087 3.007 4.505 628 HA PHE 77 HA PHE 77 5.299 0.345 4.409 629 1HB PHE 77 2HB PHE 77 2.822 1.033 3.104 630 2HB PHE 77 1HB PHE 77 4.054 0.616 1.915 631 HD1 PHE 77 HD1 PHE 77 5.694 -1.348 2.971 632 HD2 PHE 77 HD2 PHE 77 1.497 -0.853 3.725 633 HE1 PHE 77 HE1 PHE 77 5.530 -3.724 3.549 634 HE2 PHE 77 HE2 PHE 77 1.332 -3.245 4.294 635 HZ PHE 77 HZ PHE 77 3.374 -4.668 4.196 636 H HIS 78 H HIS 78 6.755 0.062 2.803 637 HA HIS 78 HA HIS 78 7.760 2.484 1.432 638 1HB HIS 78 2HB HIS 78 9.062 2.172 3.528 639 2HB HIS 78 1HB HIS 78 9.510 0.560 3.003 640 HD1 HIS 78 HD1 HIS 78 11.284 0.325 1.213 641 HD2 HIS 78 HD2 HIS 78 10.284 4.313 1.893 642 HE1 HIS 78 HE1 HIS 78 12.915 1.726 -0.107 643 H PHE 79 H PHE 79 9.518 1.807 -0.186 644 HA PHE 79 HA PHE 79 8.940 -0.875 -1.250 645 1HB PHE 79 2HB PHE 79 8.826 1.708 -2.800 646 2HB PHE 79 1HB PHE 79 8.859 0.110 -3.516 647 HD1 PHE 79 HD1 PHE 79 6.916 2.398 -1.368 648 HD2 PHE 79 HD2 PHE 79 6.874 -1.319 -3.506 649 HE1 PHE 79 HE1 PHE 79 4.456 2.260 -1.071 650 HE2 PHE 79 HE2 PHE 79 4.435 -1.448 -3.210 651 HZ PHE 79 HZ PHE 79 3.227 0.306 -1.993 652 H SER 80 H SER 80 10.614 -1.689 -2.478 653 HA SER 80 HA SER 80 12.897 -0.250 -3.273 654 1HB SER 80 2HB SER 80 13.018 -0.079 -0.717 655 2HB SER 80 1HB SER 80 13.558 -1.761 -0.779 656 HG SER 80 HG SER 80 15.408 -0.673 -0.997 657 H ASN 81 H ASN 81 13.597 -1.441 -4.896 658 HA ASN 81 HA ASN 81 14.088 -4.307 -4.441 659 1HB ASN 81 2HB ASN 81 12.620 -3.084 -6.793 660 2HB ASN 81 1HB ASN 81 13.221 -4.742 -6.765 661 1HD2 ASN 81 1HD2 ASN 81 12.503 -4.554 -3.679 662 2HD2 ASN 81 2HD2 ASN 81 10.857 -4.856 -3.663 663 H GLU 82 H GLU 82 15.892 -5.086 -5.583 664 HA GLU 82 HA GLU 82 18.047 -3.470 -6.002 665 1HB GLU 82 2HB GLU 82 18.886 -5.232 -7.573 666 2HB GLU 82 1HB GLU 82 18.244 -5.893 -6.069 667 1HG GLU 82 2HG GLU 82 16.197 -6.546 -7.117 668 2HG GLU 82 1HG GLU 82 16.563 -5.610 -8.568 669 H SER 83 H SER 83 15.378 -4.051 -8.211 670 HA SER 83 HA SER 83 16.384 -1.807 -9.829 671 1HB SER 83 2HB SER 83 15.280 -4.172 -11.265 672 2HB SER 83 1HB SER 83 16.416 -2.950 -11.825 673 HG SER 83 HG SER 83 17.914 -3.890 -10.273 674 H THR 84 H THR 84 13.842 -2.884 -8.050 675 HA THR 84 HA THR 84 11.937 -1.648 -9.938 676 HB THR 84 HB THR 84 11.784 -4.094 -8.209 677 HG1 THR 84 HG1 THR 84 10.429 -3.550 -10.605 678 1HG2 THR 84 1HG2 THR 84 9.955 -2.929 -7.243 679 2HG2 THR 84 2HG2 THR 84 9.250 -3.968 -8.480 680 3HG2 THR 84 3HG2 THR 84 9.473 -2.250 -8.798 681 H ALA 85 H ALA 85 13.679 -0.410 -7.973 682 HA ALA 85 HA ALA 85 11.859 0.257 -5.783 683 1HB ALA 85 1HB ALA 85 14.466 1.633 -5.929 684 2HB ALA 85 2HB ALA 85 14.551 -0.123 -5.800 685 3HB ALA 85 3HB ALA 85 13.698 0.812 -4.571 686 H VAL 86 H VAL 86 11.286 1.418 -8.585 687 HA VAL 86 HA VAL 86 11.279 4.184 -7.583 688 HB VAL 86 HB VAL 86 12.045 4.984 -9.826 689 1HG1 VAL 86 1HG1 VAL 86 14.342 4.677 -9.325 690 2HG1 VAL 86 2HG1 VAL 86 14.059 3.088 -8.614 691 3HG1 VAL 86 3HG1 VAL 86 13.532 4.541 -7.764 692 1HG2 VAL 86 1HG2 VAL 86 13.082 2.218 -10.342 693 2HG2 VAL 86 2HG2 VAL 86 12.748 3.517 -11.487 694 3HG2 VAL 86 3HG2 VAL 86 11.418 2.591 -10.792 695 H LYS 87 H LYS 87 10.550 4.430 -10.784 696 HA LYS 87 HA LYS 87 8.048 5.319 -10.683 697 1HB LYS 87 2HB LYS 87 9.629 4.636 -12.727 698 2HB LYS 87 1HB LYS 87 8.480 3.302 -12.830 699 1HG LYS 87 2HG LYS 87 6.639 5.088 -12.692 700 2HG LYS 87 1HG LYS 87 7.915 6.264 -13.011 701 1HD LYS 87 2HD LYS 87 8.489 4.549 -14.977 702 2HD LYS 87 1HD LYS 87 6.775 4.170 -14.809 703 1HE LYS 87 2HE LYS 87 6.924 6.977 -14.718 704 2HE LYS 87 1HE LYS 87 8.015 6.494 -16.016 705 1HZ LYS 87 1HZ LYS 87 6.245 6.108 -17.226 706 2HZ LYS 87 2HZ LYS 87 5.253 6.488 -16.029 707 3HZ LYS 87 3HZ LYS 87 5.743 4.976 -16.211 708 H GLU 88 H GLU 88 8.749 1.845 -11.009 709 HA GLU 88 HA GLU 88 6.255 0.744 -11.025 710 1HB GLU 88 2HB GLU 88 7.376 -0.918 -9.287 711 2HB GLU 88 1HB GLU 88 7.925 -0.862 -10.948 712 1HG GLU 88 2HG GLU 88 9.294 1.153 -9.390 713 2HG GLU 88 1HG GLU 88 9.488 -0.433 -8.674 714 H ARG 89 H ARG 89 8.033 1.445 -8.022 715 HA ARG 89 HA ARG 89 5.768 1.128 -6.331 716 1HB ARG 89 2HB ARG 89 8.169 2.875 -5.739 717 2HB ARG 89 1HB ARG 89 7.188 1.950 -4.603 718 1HG ARG 89 2HG ARG 89 8.999 0.756 -6.730 719 2HG ARG 89 1HG ARG 89 9.365 0.842 -5.015 720 1HD ARG 89 2HD ARG 89 8.264 -1.117 -4.736 721 2HD ARG 89 1HD ARG 89 6.782 -0.295 -5.215 722 HE ARG 89 HE ARG 89 8.057 -0.874 -7.567 723 1HH1 ARG 89 1HH2 ARG 89 7.110 -2.639 -4.762 724 2HH1 ARG 89 2HH2 ARG 89 6.730 -4.081 -5.638 725 1HH2 ARG 89 1HH1 ARG 89 7.540 -2.747 -8.727 726 2HH2 ARG 89 2HH1 ARG 89 6.971 -4.143 -7.875 727 H ASP 90 H ASP 90 7.498 3.860 -7.684 728 HA ASP 90 HA ASP 90 6.171 6.056 -6.803 729 1HB ASP 90 2HB ASP 90 7.886 5.769 -8.792 730 2HB ASP 90 1HB ASP 90 6.426 5.790 -9.782 731 H ALA 91 H ALA 91 4.955 3.828 -9.314 732 HA ALA 91 HA ALA 91 2.472 5.179 -9.650 733 1HB ALA 91 1HB ALA 91 1.833 3.302 -10.944 734 2HB ALA 91 2HB ALA 91 2.897 2.217 -10.050 735 3HB ALA 91 3HB ALA 91 3.579 3.395 -11.170 736 H VAL 92 H VAL 92 3.469 2.313 -7.757 737 HA VAL 92 HA VAL 92 1.125 1.563 -6.574 738 HB VAL 92 HB VAL 92 3.851 1.914 -5.313 739 1HG1 VAL 92 1HG1 VAL 92 1.271 1.501 -4.028 740 2HG1 VAL 92 2HG1 VAL 92 2.847 1.802 -3.299 741 3HG1 VAL 92 3HG1 VAL 92 2.371 0.156 -3.733 742 1HG2 VAL 92 1HG2 VAL 92 2.287 -0.285 -6.589 743 2HG2 VAL 92 2HG2 VAL 92 3.320 -0.707 -5.220 744 3HG2 VAL 92 3HG2 VAL 92 4.020 0.047 -6.656 745 H LYS 93 H LYS 93 3.226 4.144 -5.225 746 HA LYS 93 HA LYS 93 1.251 5.064 -3.378 747 1HB LYS 93 2HB LYS 93 3.503 5.710 -2.935 748 2HB LYS 93 1HB LYS 93 3.732 6.312 -4.576 749 1HG LYS 93 2HG LYS 93 2.293 8.186 -4.191 750 2HG LYS 93 1HG LYS 93 1.702 7.504 -2.676 751 1HD LYS 93 2HD LYS 93 3.270 8.891 -1.758 752 2HD LYS 93 1HD LYS 93 4.361 7.562 -2.154 753 1HE LYS 93 2HE LYS 93 5.489 9.285 -3.196 754 2HE LYS 93 1HE LYS 93 4.421 8.806 -4.515 755 1HZ LYS 93 1HZ LYS 93 3.860 10.934 -2.601 756 2HZ LYS 93 2HZ LYS 93 2.919 10.513 -3.825 757 3HZ LYS 93 3HZ LYS 93 4.353 11.163 -4.106 758 H ASP 94 H ASP 94 1.991 5.694 -6.730 759 HA ASP 94 HA ASP 94 0.391 8.008 -7.077 760 1HB ASP 94 2HB ASP 94 2.132 6.798 -8.678 761 2HB ASP 94 1HB ASP 94 0.684 5.973 -9.255 762 H LEU 95 H LEU 95 -0.366 4.762 -6.399 763 HA LEU 95 HA LEU 95 -3.085 5.042 -7.504 764 1HB LEU 95 2HB LEU 95 -1.319 2.778 -6.782 765 2HB LEU 95 1HB LEU 95 -3.014 2.575 -6.339 766 HG LEU 95 HG LEU 95 -2.643 1.715 -8.602 767 1HD1 LEU 95 1HD1 LEU 95 -4.022 4.324 -9.099 768 2HD1 LEU 95 2HD1 LEU 95 -4.691 3.250 -7.871 769 3HD1 LEU 95 3HD1 LEU 95 -4.525 2.691 -9.535 770 1HD2 LEU 95 1HD2 LEU 95 -2.085 4.390 -9.743 771 2HD2 LEU 95 2HD2 LEU 95 -1.435 2.815 -10.198 772 3HD2 LEU 95 3HD2 LEU 95 -0.761 3.682 -8.817 773 H LEU 96 H LEU 96 -1.359 4.297 -4.453 774 HA LEU 96 HA LEU 96 -3.375 4.028 -2.662 775 1HB LEU 96 2HB LEU 96 -0.951 5.775 -2.227 776 2HB LEU 96 1HB LEU 96 -1.845 4.865 -1.024 777 HG LEU 96 HG LEU 96 -0.084 3.811 -3.225 778 1HD1 LEU 96 1HD1 LEU 96 1.020 2.655 -1.367 779 2HD1 LEU 96 2HD1 LEU 96 -0.179 3.292 -0.241 780 3HD1 LEU 96 3HD1 LEU 96 0.945 4.388 -1.046 781 1HD2 LEU 96 1HD2 LEU 96 -0.979 1.565 -1.970 782 2HD2 LEU 96 2HD2 LEU 96 -1.676 2.186 -3.467 783 3HD2 LEU 96 3HD2 LEU 96 -2.432 2.563 -1.920 784 H GLN 97 H GLN 97 -1.826 7.247 -3.173 785 HA GLN 97 HA GLN 97 -3.871 8.634 -1.794 786 1HB GLN 97 2HB GLN 97 -2.970 10.592 -3.245 787 2HB GLN 97 1HB GLN 97 -1.895 9.862 -2.055 788 1HG GLN 97 2HG GLN 97 -0.985 10.255 -4.466 789 2HG GLN 97 1HG GLN 97 -0.687 8.686 -3.715 790 1HE2 GLN 97 1HE2 GLN 97 -1.589 6.854 -4.711 791 2HE2 GLN 97 2HE2 GLN 97 -2.645 6.910 -6.003 792 H GLN 98 H GLN 98 -4.208 6.991 -4.676 793 HA GLN 98 HA GLN 98 -5.997 8.960 -5.870 794 1HB GLN 98 2HB GLN 98 -4.324 6.910 -6.893 795 2HB GLN 98 1HB GLN 98 -5.988 6.427 -7.228 796 1HG GLN 98 2HG GLN 98 -5.834 9.206 -7.757 797 2HG GLN 98 1HG GLN 98 -4.419 8.472 -8.513 798 1HE2 GLN 98 1HE2 GLN 98 -4.840 7.798 -10.613 799 2HE2 GLN 98 2HE2 GLN 98 -6.336 7.229 -11.178 800 H LEU 99 H LEU 99 -6.019 5.735 -4.362 801 HA LEU 99 HA LEU 99 -8.910 5.525 -4.706 802 1HB LEU 99 2HB LEU 99 -7.715 3.794 -2.663 803 2HB LEU 99 1HB LEU 99 -8.666 3.352 -4.065 804 HG LEU 99 HG LEU 99 -6.343 4.139 -5.252 805 1HD1 LEU 99 1HD1 LEU 99 -4.813 2.650 -3.548 806 2HD1 LEU 99 2HD1 LEU 99 -5.880 3.491 -2.419 807 3HD1 LEU 99 3HD1 LEU 99 -4.892 4.408 -3.541 808 1HD2 LEU 99 1HD2 LEU 99 -7.667 1.634 -4.540 809 2HD2 LEU 99 2HD2 LEU 99 -5.915 1.446 -4.634 810 3HD2 LEU 99 3HD2 LEU 99 -6.812 2.060 -6.023 811 H LEU 100 H LEU 100 -6.626 6.627 -2.290 812 HA LEU 100 HA LEU 100 -7.972 6.481 0.034 813 1HB LEU 100 2HB LEU 100 -5.954 7.582 0.275 814 2HB LEU 100 1HB LEU 100 -6.197 8.576 -1.155 815 HG LEU 100 HG LEU 100 -7.952 9.856 0.094 816 1HD1 LEU 100 1HD1 LEU 100 -7.407 9.359 2.744 817 2HD1 LEU 100 2HD1 LEU 100 -7.367 7.737 2.054 818 3HD1 LEU 100 3HD1 LEU 100 -8.809 8.736 1.874 819 1HD2 LEU 100 1HD2 LEU 100 -5.964 11.034 0.173 820 2HD2 LEU 100 2HD2 LEU 100 -5.085 9.704 0.925 821 3HD2 LEU 100 3HD2 LEU 100 -6.163 10.708 1.894 822 HA PRO 101 HA PRO 101 -10.737 10.074 -1.557 823 1HB PRO 101 2HB PRO 101 -10.476 9.580 -4.473 824 2HB PRO 101 1HB PRO 101 -10.553 11.124 -3.609 825 1HG PRO 101 2HG PRO 101 -8.248 10.016 -4.668 826 2HG PRO 101 1HG PRO 101 -8.271 11.199 -3.349 827 1HD PRO 101 2HD PRO 101 -7.554 8.392 -3.238 828 2HD PRO 101 1HD PRO 101 -7.428 9.619 -1.968 829 H LYS 102 H LYS 102 -10.484 7.104 -3.445 830 HA LYS 102 HA LYS 102 -13.054 6.691 -4.327 831 1HB LYS 102 2HB LYS 102 -11.067 5.192 -4.674 832 2HB LYS 102 1HB LYS 102 -11.293 4.613 -3.020 833 1HG LYS 102 2HG LYS 102 -12.882 3.190 -3.685 834 2HG LYS 102 1HG LYS 102 -13.807 4.508 -4.409 835 1HD LYS 102 2HD LYS 102 -12.781 4.245 -6.506 836 2HD LYS 102 1HD LYS 102 -11.402 3.379 -5.826 837 1HE LYS 102 2HE LYS 102 -13.703 1.876 -5.143 838 2HE LYS 102 1HE LYS 102 -13.873 2.304 -6.846 839 1HZ LYS 102 1HZ LYS 102 -11.730 1.401 -7.238 840 2HZ LYS 102 2HZ LYS 102 -12.601 0.286 -6.491 841 3HZ LYS 102 3HZ LYS 102 -11.484 1.100 -5.685 842 H PHE 103 H PHE 103 -11.813 6.276 -1.024 843 HA PHE 103 HA PHE 103 -14.577 5.615 -0.217 844 1HB PHE 103 2HB PHE 103 -13.040 4.808 1.888 845 2HB PHE 103 1HB PHE 103 -13.531 3.736 0.583 846 HD1 PHE 103 HD1 PHE 103 -12.017 3.509 -1.443 847 HD2 PHE 103 HD2 PHE 103 -10.736 5.373 2.209 848 HE1 PHE 103 HE1 PHE 103 -9.659 3.264 -2.150 849 HE2 PHE 103 HE2 PHE 103 -8.371 5.126 1.509 850 HZ PHE 103 HZ PHE 103 -7.830 4.072 -0.674 851 H LYS 104 H LYS 104 -12.282 8.014 -0.238 852 HA LYS 104 HA LYS 104 -13.590 9.342 2.032 853 1HB LYS 104 2HB LYS 104 -10.606 9.526 1.732 854 2HB LYS 104 1HB LYS 104 -11.606 9.859 3.145 855 1HG LYS 104 2HG LYS 104 -11.469 7.075 2.005 856 2HG LYS 104 1HG LYS 104 -10.218 7.654 3.097 857 1HD LYS 104 2HD LYS 104 -11.749 7.987 4.861 858 2HD LYS 104 1HD LYS 104 -13.141 7.913 3.789 859 1HE LYS 104 2HE LYS 104 -13.209 5.790 4.728 860 2HE LYS 104 1HE LYS 104 -12.231 5.488 3.298 861 1HZ LYS 104 1HZ LYS 104 -10.460 6.247 5.137 862 2HZ LYS 104 2HZ LYS 104 -10.758 4.732 4.724 863 3HZ LYS 104 3HZ LYS 104 -11.479 5.367 6.003 864 H ARG 105 H ARG 105 -14.585 10.685 0.382 865 HA ARG 105 HA ARG 105 -12.643 12.467 -0.965 866 1HB ARG 105 2HB ARG 105 -13.920 11.105 -2.566 867 2HB ARG 105 1HB ARG 105 -15.431 11.651 -1.837 868 1HG ARG 105 2HG ARG 105 -14.748 14.016 -2.384 869 2HG ARG 105 1HG ARG 105 -13.386 13.351 -3.287 870 1HD ARG 105 2HD ARG 105 -15.356 11.878 -4.370 871 2HD ARG 105 1HD ARG 105 -16.293 13.307 -3.936 872 HE ARG 105 HE ARG 105 -14.090 14.333 -5.181 873 1HH1 ARG 105 1HH2 ARG 105 -16.464 11.924 -5.894 874 2HH1 ARG 105 2HH2 ARG 105 -16.408 12.193 -7.603 875 1HH2 ARG 105 1HH1 ARG 105 -14.011 14.689 -7.409 876 2HH2 ARG 105 2HH1 ARG 105 -15.022 13.754 -8.460 877 H LYS 106 H LYS 106 -16.027 12.380 0.221 878 HA LYS 106 HA LYS 106 -15.777 15.251 0.821 879 1HB LYS 106 2HB LYS 106 -17.902 13.547 -0.096 880 2HB LYS 106 1HB LYS 106 -18.370 14.276 1.442 881 1HG LYS 106 2HG LYS 106 -18.609 16.313 0.503 882 2HG LYS 106 1HG LYS 106 -17.043 16.198 -0.301 883 1HD LYS 106 2HD LYS 106 -18.061 14.793 -2.067 884 2HD LYS 106 1HD LYS 106 -19.629 14.948 -1.274 885 1HE LYS 106 2HE LYS 106 -19.915 17.114 -1.959 886 2HE LYS 106 1HE LYS 106 -18.195 17.487 -1.836 887 1HZ LYS 106 1HZ LYS 106 -17.824 16.639 -3.891 888 2HZ LYS 106 2HZ LYS 106 -19.289 17.241 -4.121 889 3HZ LYS 106 3HZ LYS 106 -19.098 15.669 -3.888 890 H ALA 107 H ALA 107 -17.627 15.431 2.895 891 HA ALA 107 HA ALA 107 -16.587 13.646 4.993 892 1HB ALA 107 1HB ALA 107 -16.279 16.612 4.805 893 2HB ALA 107 2HB ALA 107 -15.180 15.411 5.484 894 3HB ALA 107 3HB ALA 107 -16.605 15.916 6.392 895 H ASN 108 H ASN 108 -18.374 16.605 5.580 896 HA ASN 108 HA ASN 108 -20.487 15.116 6.836 897 1HB ASN 108 2HB ASN 108 -19.556 17.558 7.291 898 2HB ASN 108 1HB ASN 108 -20.778 18.003 6.099 899 1HD2 ASN 108 1HD2 ASN 108 -21.576 19.080 8.315 900 2HD2 ASN 108 2HD2 ASN 108 -22.671 18.142 9.211
Contact the webmaster for help, if required. Friday, July 5, 2024 12:26:31 AM GMT (wattos1)