NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9543 | 1o7c | 6392 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 2H GLY 1 -8.464 3.155 9.555 2 H2 GLY 1 1H GLY 1 -9.178 4.681 9.702 3 H3 GLY 1 3H GLY 1 -9.974 3.313 10.300 4 1HA GLY 1 2HA GLY 1 -10.634 4.357 8.005 5 2HA GLY 1 1HA GLY 1 -10.683 2.623 8.276 6 H VAL 2 H VAL 2 -8.925 1.330 7.506 7 HA VAL 2 HA VAL 2 -7.286 2.640 5.440 8 HB VAL 2 HB VAL 2 -6.649 -0.122 6.329 9 1HG1 VAL 2 3HG1 VAL 2 -5.151 2.295 5.389 10 2HG1 VAL 2 2HG1 VAL 2 -4.314 0.959 6.178 11 3HG1 VAL 2 1HG1 VAL 2 -5.212 0.679 4.685 12 1HG2 VAL 2 2HG2 VAL 2 -6.660 2.209 8.121 13 2HG2 VAL 2 1HG2 VAL 2 -6.692 0.485 8.494 14 3HG2 VAL 2 3HG2 VAL 2 -5.165 1.275 8.101 15 H TYR 3 H TYR 3 -7.436 2.016 3.360 16 HA TYR 3 HA TYR 3 -8.739 -0.493 2.674 17 1HB TYR 3 2HB TYR 3 -9.814 1.611 0.993 18 2HB TYR 3 1HB TYR 3 -10.660 0.350 1.883 19 HD1 TYR 3 HD1 TYR 3 -9.339 3.785 2.078 20 HD2 TYR 3 HD2 TYR 3 -11.691 0.800 3.990 21 HE1 TYR 3 HE1 TYR 3 -10.193 5.472 3.648 22 HE2 TYR 3 HE2 TYR 3 -12.552 2.479 5.566 23 HH TYR 3 HH TYR 3 -11.575 5.887 5.336 24 H HIS 4 H HIS 4 -7.975 -1.373 0.824 25 HA HIS 4 HA HIS 4 -5.618 -0.282 -0.324 26 1HB HIS 4 2HB HIS 4 -5.782 -2.652 -0.249 27 2HB HIS 4 1HB HIS 4 -7.351 -2.643 -1.047 28 HD1 HIS 4 HD1 HIS 4 -7.258 -3.260 -3.431 29 HD2 HIS 4 HD2 HIS 4 -3.690 -1.564 -2.141 30 HE1 HIS 4 HE1 HIS 4 -5.717 -3.344 -5.417 31 HE2 HIS 4 HE2 HIS 4 -3.544 -2.369 -4.595 32 H ARG 5 H ARG 5 -5.257 0.426 -2.457 33 HA ARG 5 HA ARG 5 -7.595 1.069 -4.084 34 1HB ARG 5 2HB ARG 5 -5.592 3.116 -3.124 35 2HB ARG 5 1HB ARG 5 -6.780 3.408 -4.386 36 1HG ARG 5 2HG ARG 5 -7.671 2.475 -1.694 37 2HG ARG 5 1HG ARG 5 -7.254 4.170 -1.952 38 1HD ARG 5 2HD ARG 5 -8.969 4.484 -3.498 39 2HD ARG 5 1HD ARG 5 -9.144 2.755 -3.794 40 HE ARG 5 HE ARG 5 -9.874 3.900 -1.187 41 1HH1 ARG 5 2HH1 ARG 5 -10.722 2.186 -4.099 42 2HH1 ARG 5 1HH1 ARG 5 -12.276 1.697 -3.513 43 1HH2 ARG 5 1HH2 ARG 5 -11.920 3.262 -0.407 44 2HH2 ARG 5 2HH2 ARG 5 -12.958 2.309 -1.414 45 H GLU 6 H GLU 6 -7.170 1.255 -6.275 46 HA GLU 6 HA GLU 6 -4.411 0.598 -7.079 47 1HB GLU 6 2HB GLU 6 -5.226 -0.729 -8.848 48 2HB GLU 6 1HB GLU 6 -6.206 -1.167 -7.457 49 1HG GLU 6 2HG GLU 6 -7.036 0.764 -9.609 50 2HG GLU 6 1HG GLU 6 -7.509 -0.933 -9.530 51 H ALA 7 H ALA 7 -4.588 0.967 -9.764 52 HA ALA 7 HA ALA 7 -4.864 3.880 -9.933 53 1HB ALA 7 2HB ALA 7 -2.892 3.746 -10.944 54 2HB ALA 7 1HB ALA 7 -2.971 1.985 -10.955 55 3HB ALA 7 3HB ALA 7 -3.676 2.907 -12.283 56 H ARG 8 H ARG 8 -5.851 4.867 -11.767 57 HA ARG 8 HA ARG 8 -8.321 3.756 -12.494 58 1HB ARG 8 2HB ARG 8 -6.713 6.093 -13.450 59 2HB ARG 8 1HB ARG 8 -8.147 5.610 -14.345 60 1HG ARG 8 2HG ARG 8 -9.237 6.972 -12.959 61 2HG ARG 8 1HG ARG 8 -9.080 5.665 -11.784 62 1HD ARG 8 2HD ARG 8 -7.580 6.790 -10.547 63 2HD ARG 8 1HD ARG 8 -6.743 7.424 -11.963 64 HE ARG 8 HE ARG 8 -8.009 9.329 -11.820 65 1HH1 ARG 8 2HH1 ARG 8 -9.434 6.851 -9.831 66 2HH1 ARG 8 1HH1 ARG 8 -10.584 7.919 -9.098 67 1HH2 ARG 8 2HH2 ARG 8 -9.519 10.744 -10.861 68 2HH2 ARG 8 1HH2 ARG 8 -10.632 10.132 -9.683 69 H SER 9 H SER 9 -5.193 3.229 -13.729 70 HA SER 9 HA SER 9 -6.225 2.178 -16.265 71 1HB SER 9 2HB SER 9 -3.567 1.871 -16.523 72 2HB SER 9 1HB SER 9 -4.391 3.382 -16.905 73 HG SER 9 HG SER 9 -3.772 4.209 -14.948 74 H GLY 10 H GLY 10 -4.895 1.222 -13.215 75 1HA GLY 10 2HA GLY 10 -4.496 -1.530 -14.158 76 2HA GLY 10 1HA GLY 10 -5.678 -1.240 -12.889 77 H LYS 11 H LYS 11 -4.243 -2.794 -11.764 78 HA LYS 11 HA LYS 11 -2.743 -1.544 -9.782 79 1HB LYS 11 2HB LYS 11 -3.604 -3.677 -9.283 80 2HB LYS 11 1HB LYS 11 -2.902 -4.395 -10.726 81 1HG LYS 11 2HG LYS 11 -0.661 -4.104 -9.761 82 2HG LYS 11 1HG LYS 11 -1.396 -3.448 -8.296 83 1HD LYS 11 2HD LYS 11 -1.189 -5.621 -7.647 84 2HD LYS 11 1HD LYS 11 -2.769 -5.716 -8.428 85 1HE LYS 11 2HE LYS 11 -0.134 -6.365 -9.744 86 2HE LYS 11 1HE LYS 11 -1.265 -7.552 -9.095 87 1HZ LYS 11 3HZ LYS 11 -2.929 -6.410 -10.674 88 2HZ LYS 11 2HZ LYS 11 -1.552 -5.828 -11.464 89 3HZ LYS 11 1HZ LYS 11 -1.802 -7.495 -11.320 90 H TYR 12 H TYR 12 -0.501 -1.539 -9.325 91 HA TYR 12 HA TYR 12 1.699 -1.217 -9.785 92 1HB TYR 12 2HB TYR 12 1.089 -3.188 -11.992 93 2HB TYR 12 1HB TYR 12 2.710 -2.613 -11.616 94 HD1 TYR 12 HD1 TYR 12 1.458 -2.619 -8.511 95 HD2 TYR 12 HD2 TYR 12 2.322 -5.435 -11.581 96 HE1 TYR 12 HE1 TYR 12 1.689 -4.386 -6.816 97 HE2 TYR 12 HE2 TYR 12 2.555 -7.210 -9.895 98 HH TYR 12 HH TYR 12 2.507 -6.506 -6.465 99 H LYS 13 H LYS 13 0.321 0.875 -10.488 100 HA LYS 13 HA LYS 13 1.711 1.875 -12.817 101 1HB LYS 13 2HB LYS 13 -1.283 1.594 -12.727 102 2HB LYS 13 1HB LYS 13 -0.511 2.830 -13.710 103 1HG LYS 13 2HG LYS 13 0.863 0.828 -14.655 104 2HG LYS 13 1HG LYS 13 -0.476 -0.134 -14.023 105 1HD LYS 13 2HD LYS 13 -1.819 1.841 -15.308 106 2HD LYS 13 1HD LYS 13 -0.381 1.698 -16.321 107 1HE LYS 13 2HE LYS 13 -1.042 -0.917 -15.911 108 2HE LYS 13 1HE LYS 13 -2.628 -0.148 -15.961 109 1HZ LYS 13 2HZ LYS 13 -0.909 0.799 -18.035 110 2HZ LYS 13 1HZ LYS 13 -1.119 -0.877 -18.116 111 3HZ LYS 13 3HZ LYS 13 -2.466 0.147 -18.143 112 H LEU 14 H LEU 14 0.672 2.214 -9.762 113 HA LEU 14 HA LEU 14 0.346 5.130 -9.893 114 1HB LEU 14 2HB LEU 14 -0.469 3.021 -7.951 115 2HB LEU 14 1HB LEU 14 -0.176 4.639 -7.349 116 HG LEU 14 HG LEU 14 -2.067 4.131 -9.629 117 1HD1 LEU 14 1HD1 LEU 14 -2.562 2.824 -7.448 118 2HD1 LEU 14 3HD1 LEU 14 -2.991 4.408 -6.801 119 3HD1 LEU 14 2HD1 LEU 14 -3.848 3.767 -8.202 120 1HD2 LEU 14 2HD2 LEU 14 -1.054 6.445 -8.735 121 2HD2 LEU 14 1HD2 LEU 14 -2.677 6.294 -9.407 122 3HD2 LEU 14 3HD2 LEU 14 -2.443 6.295 -7.659 123 H THR 15 H THR 15 1.794 6.486 -9.037 124 HA THR 15 HA THR 15 4.206 5.312 -7.829 125 HB THR 15 HB THR 15 5.460 7.122 -8.621 126 HG1 THR 15 HG1 THR 15 3.727 8.821 -9.693 127 1HG2 THR 15 2HG2 THR 15 4.129 5.626 -10.410 128 2HG2 THR 15 1HG2 THR 15 3.555 7.225 -10.882 129 3HG2 THR 15 3HG2 THR 15 5.284 6.877 -10.871 130 H TYR 16 H TYR 16 5.067 6.212 -5.916 131 HA TYR 16 HA TYR 16 3.490 6.740 -3.827 132 1HB TYR 16 2HB TYR 16 5.861 6.572 -3.498 133 2HB TYR 16 1HB TYR 16 6.148 8.047 -4.416 134 HD1 TYR 16 HD1 TYR 16 4.550 6.775 -1.307 135 HD2 TYR 16 HD2 TYR 16 6.226 10.120 -3.339 136 HE1 TYR 16 HE1 TYR 16 4.432 8.090 0.769 137 HE2 TYR 16 HE2 TYR 16 6.112 11.442 -1.268 138 HH TYR 16 HH TYR 16 6.082 10.871 1.283 139 H ALA 17 H ALA 17 4.459 9.124 -6.232 140 HA ALA 17 HA ALA 17 3.266 11.350 -4.919 141 1HB ALA 17 1HB ALA 17 4.008 11.021 -7.823 142 2HB ALA 17 3HB ALA 17 3.658 12.543 -7.002 143 3HB ALA 17 2HB ALA 17 5.077 11.600 -6.544 144 H GLU 18 H GLU 18 2.202 9.197 -7.547 145 HA GLU 18 HA GLU 18 -0.282 10.547 -7.936 146 1HB GLU 18 2HB GLU 18 0.601 7.768 -8.739 147 2HB GLU 18 1HB GLU 18 -0.847 8.577 -9.313 148 1HG GLU 18 2HG GLU 18 0.479 10.274 -10.400 149 2HG GLU 18 1HG GLU 18 1.957 9.570 -9.747 150 H ALA 19 H ALA 19 0.684 7.536 -6.339 151 HA ALA 19 HA ALA 19 -1.744 6.582 -5.490 152 1HB ALA 19 1HB ALA 19 -0.269 5.067 -4.785 153 2HB ALA 19 2HB ALA 19 -0.063 6.074 -3.351 154 3HB ALA 19 3HB ALA 19 1.033 6.256 -4.722 155 H LYS 20 H LYS 20 0.323 8.981 -3.891 156 HA LYS 20 HA LYS 20 -1.329 9.352 -1.628 157 1HB LYS 20 2HB LYS 20 1.125 10.030 -1.966 158 2HB LYS 20 1HB LYS 20 0.492 11.453 -2.778 159 1HG LYS 20 2HG LYS 20 -0.657 12.143 -0.778 160 2HG LYS 20 1HG LYS 20 -0.178 10.657 0.047 161 1HD LYS 20 2HD LYS 20 2.189 11.317 -0.215 162 2HD LYS 20 1HD LYS 20 1.660 12.835 -0.943 163 1HE LYS 20 2HE LYS 20 0.373 13.285 1.162 164 2HE LYS 20 1HE LYS 20 1.161 11.875 1.868 165 1HZ LYS 20 2HZ LYS 20 2.766 14.040 0.674 166 2HZ LYS 20 1HZ LYS 20 2.179 14.183 2.254 167 3HZ LYS 20 3HZ LYS 20 3.213 12.907 1.847 168 H ALA 21 H ALA 21 -0.884 11.380 -4.524 169 HA ALA 21 HA ALA 21 -2.665 13.371 -4.089 170 1HB ALA 21 1HB ALA 21 -3.095 13.351 -6.574 171 2HB ALA 21 2HB ALA 21 -2.121 11.882 -6.646 172 3HB ALA 21 3HB ALA 21 -1.400 13.392 -6.091 173 H VAL 22 H VAL 22 -3.441 10.073 -5.051 174 HA VAL 22 HA VAL 22 -6.215 10.531 -5.476 175 HB VAL 22 HB VAL 22 -4.517 8.093 -5.164 176 1HG1 VAL 22 1HG1 VAL 22 -7.533 8.089 -5.166 177 2HG1 VAL 22 3HG1 VAL 22 -6.509 6.667 -5.365 178 3HG1 VAL 22 2HG1 VAL 22 -6.484 7.566 -3.848 179 1HG2 VAL 22 1HG2 VAL 22 -4.689 9.201 -7.338 180 2HG2 VAL 22 3HG2 VAL 22 -5.396 7.586 -7.379 181 3HG2 VAL 22 2HG2 VAL 22 -6.441 9.005 -7.299 182 H CYS 23 H CYS 23 -4.406 9.104 -2.772 183 HA CYS 23 HA CYS 23 -6.640 8.653 -1.121 184 1HB CYS 23 2HB CYS 23 -3.691 8.927 -0.589 185 2HB CYS 23 1HB CYS 23 -4.838 8.699 0.725 186 H GLU 24 H GLU 24 -4.240 11.276 -1.130 187 HA GLU 24 HA GLU 24 -5.548 12.791 0.890 188 1HB GLU 24 2HB GLU 24 -3.093 12.915 0.131 189 2HB GLU 24 1HB GLU 24 -3.680 13.934 -1.175 190 1HG GLU 24 2HG GLU 24 -4.211 15.667 0.225 191 2HG GLU 24 1HG GLU 24 -4.420 14.615 1.625 192 H PHE 25 H PHE 25 -6.171 12.313 -2.413 193 HA PHE 25 HA PHE 25 -7.156 14.736 -3.300 194 1HB PHE 25 2HB PHE 25 -7.082 12.192 -4.302 195 2HB PHE 25 1HB PHE 25 -8.809 12.423 -4.056 196 HD1 PHE 25 HD1 PHE 25 -5.838 14.022 -5.611 197 HD2 PHE 25 HD2 PHE 25 -10.067 13.556 -5.636 198 HE1 PHE 25 HE1 PHE 25 -5.960 15.289 -7.714 199 HE2 PHE 25 HE2 PHE 25 -10.198 14.824 -7.742 200 HZ PHE 25 HZ PHE 25 -8.142 15.692 -8.784 201 H GLU 26 H GLU 26 -8.925 12.176 -1.597 202 HA GLU 26 HA GLU 26 -11.129 14.051 -1.126 203 1HB GLU 26 2HB GLU 26 -11.068 11.084 -0.568 204 2HB GLU 26 1HB GLU 26 -12.479 12.133 -0.590 205 1HG GLU 26 2HG GLU 26 -12.109 12.527 -2.992 206 2HG GLU 26 1HG GLU 26 -10.762 11.391 -2.944 207 H GLY 27 H GLY 27 -9.102 14.839 0.320 208 1HA GLY 27 1HA GLY 27 -9.972 14.900 2.930 209 2HA GLY 27 2HA GLY 27 -8.319 15.243 2.441 210 H GLY 28 H GLY 28 -7.814 12.576 1.410 211 1HA GLY 28 2HA GLY 28 -7.691 10.326 2.241 212 2HA GLY 28 1HA GLY 28 -7.988 10.951 3.860 213 H HIS 29 H HIS 29 -5.979 9.305 3.849 214 HA HIS 29 HA HIS 29 -3.498 10.718 3.278 215 1HB HIS 29 2HB HIS 29 -3.289 9.638 5.936 216 2HB HIS 29 1HB HIS 29 -3.003 11.285 5.383 217 HD1 HIS 29 HD1 HIS 29 -5.386 12.703 5.087 218 HD2 HIS 29 HD2 HIS 29 -5.326 9.473 7.703 219 HE1 HIS 29 HE1 HIS 29 -7.349 13.043 6.621 220 HE2 HIS 29 HE2 HIS 29 -7.244 11.121 8.246 221 H LEU 30 H LEU 30 -1.863 9.381 2.756 222 HA LEU 30 HA LEU 30 -2.240 6.782 2.013 223 1HB LEU 30 2HB LEU 30 -0.088 8.590 2.160 224 2HB LEU 30 1HB LEU 30 0.459 7.120 2.943 225 HG LEU 30 HG LEU 30 -0.803 7.092 0.217 226 1HD1 LEU 30 2HD1 LEU 30 1.646 8.312 0.890 227 2HD1 LEU 30 1HD1 LEU 30 2.035 6.777 0.112 228 3HD1 LEU 30 3HD1 LEU 30 1.015 7.953 -0.717 229 1HD2 LEU 30 1HD2 LEU 30 0.180 5.128 2.053 230 2HD2 LEU 30 3HD2 LEU 30 -0.594 4.898 0.485 231 3HD2 LEU 30 2HD2 LEU 30 1.155 5.104 0.583 232 H ALA 31 H ALA 31 -1.908 4.773 2.904 233 HA ALA 31 HA ALA 31 -2.133 4.625 5.785 234 1HB ALA 31 1HB ALA 31 -3.029 3.058 3.647 235 2HB ALA 31 3HB ALA 31 -1.859 2.060 4.509 236 3HB ALA 31 2HB ALA 31 -3.240 2.742 5.369 237 H THR 32 H THR 32 -0.625 3.737 7.179 238 HA THR 32 HA THR 32 2.091 3.532 6.097 239 HB THR 32 HB THR 32 2.900 3.837 8.339 240 HG1 THR 32 HG1 THR 32 1.462 3.941 10.098 241 1HG2 THR 32 1HG2 THR 32 0.795 5.692 7.349 242 2HG2 THR 32 3HG2 THR 32 1.468 5.971 8.955 243 3HG2 THR 32 2HG2 THR 32 2.528 5.951 7.545 244 H TYR 33 H TYR 33 3.378 2.058 7.923 245 HA TYR 33 HA TYR 33 2.704 -0.612 7.190 246 1HB TYR 33 2HB TYR 33 5.023 -0.036 7.510 247 2HB TYR 33 1HB TYR 33 4.713 0.501 9.153 248 HD1 TYR 33 HD1 TYR 33 4.340 -2.587 7.069 249 HD2 TYR 33 HD2 TYR 33 5.273 -0.919 10.871 250 HE1 TYR 33 HE1 TYR 33 4.889 -4.829 7.912 251 HE2 TYR 33 HE2 TYR 33 5.824 -3.158 11.724 252 HH TYR 33 HH TYR 33 5.020 -6.006 10.067 253 H LYS 34 H LYS 34 3.139 0.753 10.427 254 HA LYS 34 HA LYS 34 1.890 -1.208 11.879 255 1HB LYS 34 2HB LYS 34 1.817 1.755 12.469 256 2HB LYS 34 1HB LYS 34 1.549 0.467 13.633 257 1HG LYS 34 2HG LYS 34 4.105 0.377 12.166 258 2HG LYS 34 1HG LYS 34 3.897 1.709 13.304 259 1HD LYS 34 2HD LYS 34 2.993 -0.357 14.793 260 2HD LYS 34 1HD LYS 34 4.200 -1.178 13.801 261 1HE LYS 34 2HE LYS 34 5.561 -0.495 15.483 262 2HE LYS 34 1HE LYS 34 5.633 0.957 14.485 263 1HZ LYS 34 3HZ LYS 34 3.622 0.653 16.630 264 2HZ LYS 34 2HZ LYS 34 5.171 1.252 16.949 265 3HZ LYS 34 1HZ LYS 34 4.153 2.072 15.876 266 H GLN 35 H GLN 35 0.425 1.513 10.175 267 HA GLN 35 HA GLN 35 -2.189 1.144 11.196 268 1HB GLN 35 2HB GLN 35 -1.179 2.471 8.676 269 2HB GLN 35 1HB GLN 35 -2.855 2.515 9.196 270 1HG GLN 35 2HG GLN 35 -2.161 3.628 11.275 271 2HG GLN 35 1HG GLN 35 -0.498 3.630 10.693 272 1HE2 GLN 35 1HE2 GLN 35 -1.476 5.990 11.351 273 2HE2 GLN 35 2HE2 GLN 35 -1.857 6.938 9.957 274 H LEU 36 H LEU 36 -0.776 0.317 8.030 275 HA LEU 36 HA LEU 36 -2.962 -1.163 7.094 276 1HB LEU 36 2HB LEU 36 -0.787 -0.347 5.889 277 2HB LEU 36 1HB LEU 36 -0.147 -1.901 6.382 278 HG LEU 36 HG LEU 36 -1.136 -1.705 4.026 279 1HD1 LEU 36 3HD1 LEU 36 -0.597 -3.816 5.295 280 2HD1 LEU 36 2HD1 LEU 36 -2.303 -3.884 5.735 281 3HD1 LEU 36 1HD1 LEU 36 -1.826 -3.964 4.039 282 1HD2 LEU 36 2HD2 LEU 36 -3.609 -1.550 5.708 283 2HD2 LEU 36 1HD2 LEU 36 -3.153 -0.583 4.305 284 3HD2 LEU 36 3HD2 LEU 36 -3.645 -2.263 4.095 285 H GLU 37 H GLU 37 -0.577 -1.844 9.441 286 HA GLU 37 HA GLU 37 -0.662 -4.686 9.364 287 1HB GLU 37 2HB GLU 37 1.166 -3.364 10.415 288 2HB GLU 37 1HB GLU 37 0.045 -2.873 11.675 289 1HG GLU 37 2HG GLU 37 -0.273 -5.461 11.948 290 2HG GLU 37 1HG GLU 37 1.321 -5.512 11.196 291 H ALA 38 H ALA 38 -1.992 -2.384 11.714 292 HA ALA 38 HA ALA 38 -3.562 -4.177 13.126 293 1HB ALA 38 2HB ALA 38 -2.996 -1.678 13.586 294 2HB ALA 38 3HB ALA 38 -4.512 -2.354 14.182 295 3HB ALA 38 1HB ALA 38 -4.500 -1.370 12.718 296 H ALA 39 H ALA 39 -4.031 -2.833 10.005 297 HA ALA 39 HA ALA 39 -6.867 -3.534 9.927 298 1HB ALA 39 1HB ALA 39 -5.118 -2.400 7.745 299 2HB ALA 39 3HB ALA 39 -6.878 -2.515 7.735 300 3HB ALA 39 2HB ALA 39 -6.070 -1.433 8.871 301 H ARG 40 H ARG 40 -3.758 -4.623 8.907 302 HA ARG 40 HA ARG 40 -4.588 -6.552 7.003 303 1HB ARG 40 2HB ARG 40 -2.335 -5.821 6.898 304 2HB ARG 40 1HB ARG 40 -2.084 -6.114 8.613 305 1HG ARG 40 2HG ARG 40 -2.833 -8.562 7.346 306 2HG ARG 40 1HG ARG 40 -1.506 -7.822 6.450 307 1HD ARG 40 2HD ARG 40 -1.545 -8.362 9.417 308 2HD ARG 40 1HD ARG 40 -0.694 -9.323 8.209 309 HE ARG 40 HE ARG 40 0.101 -6.605 8.077 310 1HH1 ARG 40 2HH1 ARG 40 0.486 -9.503 9.971 311 2HH1 ARG 40 1HH1 ARG 40 2.052 -9.063 10.565 312 1HH2 ARG 40 1HH2 ARG 40 2.164 -6.016 8.854 313 2HH2 ARG 40 2HH2 ARG 40 3.006 -7.080 9.930 314 H LYS 41 H LYS 41 -4.062 -6.508 10.468 315 HA LYS 41 HA LYS 41 -4.266 -9.316 10.823 316 1HB LYS 41 2HB LYS 41 -4.816 -7.218 12.914 317 2HB LYS 41 1HB LYS 41 -4.277 -8.873 13.168 318 1HG LYS 41 2HG LYS 41 -2.230 -8.076 11.724 319 2HG LYS 41 1HG LYS 41 -2.740 -6.488 12.296 320 1HD LYS 41 2HD LYS 41 -2.693 -8.470 14.421 321 2HD LYS 41 1HD LYS 41 -1.118 -8.271 13.649 322 1HE LYS 41 2HE LYS 41 -1.356 -6.752 15.536 323 2HE LYS 41 1HE LYS 41 -1.239 -5.858 14.020 324 1HZ LYS 41 1HZ LYS 41 -3.888 -6.161 14.268 325 2HZ LYS 41 3HZ LYS 41 -3.434 -6.035 15.893 326 3HZ LYS 41 2HZ LYS 41 -3.034 -4.803 14.805 327 H ILE 42 H ILE 42 -6.534 -6.930 10.133 328 HA ILE 42 HA ILE 42 -8.747 -8.391 11.369 329 HB ILE 42 HB ILE 42 -10.119 -6.513 10.940 330 1HG1 ILE 42 1HG1 ILE 42 -8.127 -4.870 9.522 331 2HG1 ILE 42 2HG1 ILE 42 -8.714 -6.250 8.610 332 1HG2 ILE 42 3HG2 ILE 42 -7.356 -5.738 11.819 333 2HG2 ILE 42 2HG2 ILE 42 -8.692 -4.587 11.821 334 3HG2 ILE 42 1HG2 ILE 42 -8.784 -6.046 12.807 335 1HD1 ILE 42 2HD1 ILE 42 -11.010 -5.488 8.926 336 2HD1 ILE 42 1HD1 ILE 42 -10.420 -4.100 9.839 337 3HD1 ILE 42 3HD1 ILE 42 -10.019 -4.266 8.130 338 H GLY 43 H GLY 43 -7.105 -8.069 8.409 339 1HA GLY 43 1HA GLY 43 -9.424 -9.052 6.887 340 2HA GLY 43 2HA GLY 43 -7.938 -9.992 6.909 341 H PHE 44 H PHE 44 -6.721 -7.023 7.048 342 HA PHE 44 HA PHE 44 -7.182 -6.092 4.375 343 1HB PHE 44 2HB PHE 44 -6.420 -4.804 6.554 344 2HB PHE 44 1HB PHE 44 -4.819 -5.228 5.971 345 HD1 PHE 44 HD1 PHE 44 -4.987 -4.938 3.117 346 HD2 PHE 44 HD2 PHE 44 -6.772 -2.569 6.163 347 HE1 PHE 44 HE1 PHE 44 -5.047 -3.014 1.580 348 HE2 PHE 44 HE2 PHE 44 -6.841 -0.644 4.635 349 HZ PHE 44 HZ PHE 44 -5.977 -0.865 2.340 350 H HIS 45 H HIS 45 -6.617 -7.754 2.978 351 HA HIS 45 HA HIS 45 -3.731 -8.335 2.830 352 1HB HIS 45 2HB HIS 45 -5.025 -10.317 3.534 353 2HB HIS 45 1HB HIS 45 -6.007 -10.183 2.081 354 HD1 HIS 45 HD1 HIS 45 -4.169 -12.651 2.882 355 HD2 HIS 45 HD2 HIS 45 -3.253 -9.693 0.112 356 HE1 HIS 45 HE1 HIS 45 -2.478 -13.681 1.333 357 HE2 HIS 45 HE2 HIS 45 -1.871 -11.844 -0.279 358 H VAL 46 H VAL 46 -2.760 -7.818 0.970 359 HA VAL 46 HA VAL 46 -4.255 -7.763 -1.515 360 HB VAL 46 HB VAL 46 -2.746 -5.322 -1.438 361 1HG1 VAL 46 2HG1 VAL 46 -5.256 -6.349 -2.367 362 2HG1 VAL 46 1HG1 VAL 46 -5.493 -4.780 -1.598 363 3HG1 VAL 46 3HG1 VAL 46 -4.347 -4.945 -2.927 364 1HG2 VAL 46 2HG2 VAL 46 -3.186 -5.388 0.984 365 2HG2 VAL 46 1HG2 VAL 46 -4.026 -4.057 0.186 366 3HG2 VAL 46 3HG2 VAL 46 -4.914 -5.510 0.651 367 H CYS 47 H CYS 47 -2.937 -9.251 -2.449 368 HA CYS 47 HA CYS 47 -0.119 -9.292 -2.204 369 1HB CYS 47 2HB CYS 47 -1.725 -11.180 -2.937 370 2HB CYS 47 1HB CYS 47 -1.612 -10.462 -4.540 371 H ALA 48 H ALA 48 0.406 -7.067 -2.614 372 HA ALA 48 HA ALA 48 1.466 -6.571 -5.142 373 1HB ALA 48 2HB ALA 48 -0.899 -6.377 -5.826 374 2HB ALA 48 3HB ALA 48 0.001 -4.876 -6.050 375 3HB ALA 48 1HB ALA 48 -1.098 -5.050 -4.681 376 H ALA 49 H ALA 49 2.924 -4.944 -5.002 377 HA ALA 49 HA ALA 49 3.625 -3.850 -2.554 378 1HB ALA 49 3HB ALA 49 5.421 -3.331 -3.749 379 2HB ALA 49 2HB ALA 49 4.551 -3.687 -5.241 380 3HB ALA 49 1HB ALA 49 4.508 -2.060 -4.561 381 H GLY 50 H GLY 50 2.462 -2.518 -1.324 382 1HA GLY 50 2HA GLY 50 0.483 -1.129 -1.082 383 2HA GLY 50 1HA GLY 50 0.837 -0.451 -2.663 384 H TRP 51 H TRP 51 1.608 1.535 -2.614 385 HA TRP 51 HA TRP 51 3.838 2.395 -1.239 386 1HB TRP 51 2HB TRP 51 1.508 3.856 -2.437 387 2HB TRP 51 1HB TRP 51 2.767 4.741 -1.578 388 HD1 TRP 51 HD1 TRP 51 1.970 3.318 -4.910 389 HE1 TRP 51 HE1 TRP 51 4.027 3.480 -6.459 390 HE3 TRP 51 HE3 TRP 51 5.510 4.526 -1.431 391 HZ2 TRP 51 HZ2 TRP 51 6.788 4.048 -6.226 392 HZ3 TRP 51 HZ3 TRP 51 7.831 4.863 -2.166 393 HH2 TRP 51 HH2 TRP 51 8.456 4.626 -4.517 394 H MET 52 H MET 52 4.178 3.694 0.577 395 HA MET 52 HA MET 52 2.122 4.444 2.378 396 1HB MET 52 2HB MET 52 3.269 2.802 4.184 397 2HB MET 52 1HB MET 52 1.810 2.394 3.292 398 1HG MET 52 2HG MET 52 3.354 1.331 1.573 399 2HG MET 52 1HG MET 52 4.620 1.482 2.789 400 1HE MET 52 2HE MET 52 5.222 -0.852 2.920 401 2HE MET 52 1HE MET 52 5.024 -0.435 4.622 402 3HE MET 52 3HE MET 52 4.406 -1.970 4.013 403 H ALA 53 H ALA 53 3.192 4.949 4.630 404 HA ALA 53 HA ALA 53 4.601 6.377 5.714 405 1HB ALA 53 1HB ALA 53 6.965 5.211 4.373 406 2HB ALA 53 2HB ALA 53 5.913 4.111 5.265 407 3HB ALA 53 3HB ALA 53 6.650 5.487 6.086 408 H LYS 54 H LYS 54 7.039 7.470 5.086 409 HA LYS 54 HA LYS 54 6.308 9.686 3.522 410 1HB LYS 54 2HB LYS 54 8.493 8.922 5.168 411 2HB LYS 54 1HB LYS 54 9.152 9.472 3.635 412 1HG LYS 54 2HG LYS 54 8.397 11.615 3.917 413 2HG LYS 54 1HG LYS 54 7.071 11.125 4.971 414 1HD LYS 54 2HD LYS 54 9.685 10.508 6.092 415 2HD LYS 54 1HD LYS 54 9.465 12.231 5.778 416 1HE LYS 54 2HE LYS 54 7.576 10.482 7.348 417 2HE LYS 54 1HE LYS 54 8.752 11.598 8.043 418 1HZ LYS 54 3HZ LYS 54 7.605 13.425 6.948 419 2HZ LYS 54 2HZ LYS 54 6.471 12.351 6.298 420 3HZ LYS 54 1HZ LYS 54 6.555 12.580 7.972 421 H GLY 55 H GLY 55 7.205 6.612 2.514 422 1HA GLY 55 1HA GLY 55 8.644 7.412 0.140 423 2HA GLY 55 2HA GLY 55 6.969 6.966 -0.158 424 H ARG 56 H ARG 56 7.311 5.040 2.236 425 HA ARG 56 HA ARG 56 9.011 3.023 0.980 426 1HB ARG 56 2HB ARG 56 9.231 2.051 3.031 427 2HB ARG 56 1HB ARG 56 8.840 3.682 3.558 428 1HG ARG 56 2HG ARG 56 6.550 3.070 3.941 429 2HG ARG 56 1HG ARG 56 6.825 1.468 3.253 430 1HD ARG 56 2HD ARG 56 6.838 1.277 5.641 431 2HD ARG 56 1HD ARG 56 8.482 1.042 5.050 432 HE ARG 56 HE ARG 56 8.230 3.731 5.667 433 1HH1 ARG 56 2HH1 ARG 56 8.071 0.675 7.330 434 2HH1 ARG 56 1HH1 ARG 56 8.639 1.316 8.835 435 1HH2 ARG 56 1HH2 ARG 56 8.978 4.587 7.643 436 2HH2 ARG 56 2HH2 ARG 56 9.155 3.542 9.013 437 H VAL 57 H VAL 57 8.245 1.269 -0.038 438 HA VAL 57 HA VAL 57 5.336 0.796 0.054 439 HB VAL 57 HB VAL 57 5.434 1.416 -2.120 440 1HG1 VAL 57 3HG1 VAL 57 8.341 0.878 -1.848 441 2HG1 VAL 57 2HG1 VAL 57 7.648 0.915 -3.470 442 3HG1 VAL 57 1HG1 VAL 57 7.502 2.322 -2.416 443 1HG2 VAL 57 3HG2 VAL 57 5.265 -1.223 -1.900 444 2HG2 VAL 57 2HG2 VAL 57 5.265 -0.413 -3.467 445 3HG2 VAL 57 1HG2 VAL 57 6.748 -1.143 -2.851 446 H GLY 58 H GLY 58 4.804 -1.113 0.869 447 1HA GLY 58 2HA GLY 58 5.703 -3.073 2.064 448 2HA GLY 58 1HA GLY 58 6.783 -3.302 0.697 449 H TYR 59 H TYR 59 5.300 -5.409 1.505 450 HA TYR 59 HA TYR 59 3.021 -5.539 -0.343 451 1HB TYR 59 2HB TYR 59 4.676 -7.984 -0.160 452 2HB TYR 59 1HB TYR 59 3.832 -7.292 -1.543 453 HD1 TYR 59 HD1 TYR 59 4.878 -5.061 -2.479 454 HD2 TYR 59 HD2 TYR 59 6.990 -7.900 -0.117 455 HE1 TYR 59 HE1 TYR 59 7.007 -4.196 -3.354 456 HE2 TYR 59 HE2 TYR 59 9.125 -7.042 -0.985 457 HH TYR 59 HH TYR 59 9.371 -5.097 -3.669 458 HA PRO 60 HA PRO 60 1.914 -7.037 3.926 459 1HB PRO 60 2HB PRO 60 -0.684 -5.951 3.021 460 2HB PRO 60 1HB PRO 60 0.178 -5.685 4.537 461 1HG PRO 60 2HG PRO 60 0.026 -3.784 2.655 462 2HG PRO 60 1HG PRO 60 1.470 -3.989 3.659 463 1HD PRO 60 2HD PRO 60 1.004 -4.785 0.822 464 2HD PRO 60 1HD PRO 60 2.477 -4.167 1.595 465 H ILE 61 H ILE 61 1.489 -9.139 4.049 466 HA ILE 61 HA ILE 61 -0.699 -10.254 2.449 467 HB ILE 61 HB ILE 61 1.993 -11.604 2.696 468 1HG1 ILE 61 1HG1 ILE 61 1.929 -9.586 1.177 469 2HG1 ILE 61 2HG1 ILE 61 2.370 -11.099 0.391 470 1HG2 ILE 61 1HG2 ILE 61 -0.064 -13.051 2.588 471 2HG2 ILE 61 3HG2 ILE 61 -0.349 -12.389 0.978 472 3HG2 ILE 61 2HG2 ILE 61 1.117 -13.314 1.305 473 1HD1 ILE 61 2HD1 ILE 61 -0.368 -10.995 0.100 474 2HD1 ILE 61 1HD1 ILE 61 0.146 -9.321 -0.118 475 3HD1 ILE 61 3HD1 ILE 61 0.836 -10.593 -1.126 476 H VAL 62 H VAL 62 -2.090 -10.957 3.938 477 HA VAL 62 HA VAL 62 -1.142 -11.949 6.502 478 HB VAL 62 HB VAL 62 -4.004 -12.195 6.061 479 1HG1 VAL 62 3HG1 VAL 62 -2.307 -10.624 7.996 480 2HG1 VAL 62 2HG1 VAL 62 -4.058 -10.802 8.108 481 3HG1 VAL 62 1HG1 VAL 62 -3.016 -12.217 8.260 482 1HG2 VAL 62 1HG2 VAL 62 -3.653 -10.373 4.484 483 2HG2 VAL 62 3HG2 VAL 62 -4.497 -9.800 5.923 484 3HG2 VAL 62 2HG2 VAL 62 -2.779 -9.461 5.715 485 H LYS 63 H LYS 63 -2.009 -13.200 3.476 486 HA LYS 63 HA LYS 63 -2.236 -15.900 4.630 487 1HB LYS 63 2HB LYS 63 -4.380 -14.886 3.615 488 2HB LYS 63 1HB LYS 63 -3.588 -15.104 2.062 489 1HG LYS 63 2HG LYS 63 -3.507 -17.463 2.340 490 2HG LYS 63 1HG LYS 63 -4.016 -17.340 4.026 491 1HD LYS 63 2HD LYS 63 -6.205 -16.827 3.465 492 2HD LYS 63 1HD LYS 63 -5.764 -16.258 1.855 493 1HE LYS 63 2HE LYS 63 -6.865 -18.325 1.547 494 2HE LYS 63 1HE LYS 63 -5.148 -18.638 1.307 495 1HZ LYS 63 1HZ LYS 63 -6.393 -19.055 3.947 496 2HZ LYS 63 3HZ LYS 63 -6.500 -20.246 2.749 497 3HZ LYS 63 2HZ LYS 63 -4.985 -19.748 3.315 498 HA PRO 64 HA PRO 64 1.651 -16.026 2.240 499 1HB PRO 64 2HB PRO 64 1.380 -18.813 3.264 500 2HB PRO 64 1HB PRO 64 2.789 -17.750 3.257 501 1HG PRO 64 2HG PRO 64 1.393 -18.184 5.493 502 2HG PRO 64 1HG PRO 64 2.096 -16.598 5.136 503 1HD PRO 64 1HD PRO 64 -0.737 -17.483 5.020 504 2HD PRO 64 2HD PRO 64 -0.065 -15.877 5.369 505 H GLY 65 H GLY 65 1.048 -15.982 0.123 506 1HA GLY 65 2HA GLY 65 0.207 -16.699 -1.904 507 2HA GLY 65 1HA GLY 65 -0.679 -17.950 -1.045 508 HA PRO 66 HA PRO 66 2.315 -20.910 -2.375 509 1HB PRO 66 2HB PRO 66 1.156 -21.945 -4.546 510 2HB PRO 66 1HB PRO 66 0.415 -22.118 -2.952 511 1HG PRO 66 2HG PRO 66 -0.248 -20.198 -5.154 512 2HG PRO 66 1HG PRO 66 -1.343 -21.127 -4.118 513 1HD PRO 66 1HD PRO 66 -0.696 -18.491 -3.704 514 2HD PRO 66 2HD PRO 66 -1.235 -19.595 -2.429 515 H ASN 67 H ASN 67 1.140 -18.766 -4.939 516 HA ASN 67 HA ASN 67 3.833 -18.827 -6.140 517 1HB ASN 67 2HB ASN 67 2.231 -17.931 -8.163 518 2HB ASN 67 1HB ASN 67 2.733 -19.605 -7.952 519 1HD2 ASN 67 1HD2 ASN 67 0.294 -17.458 -6.518 520 2HD2 ASN 67 2HD2 ASN 67 -1.023 -18.563 -6.693 521 H CYS 68 H CYS 68 1.275 -16.915 -4.859 522 HA CYS 68 HA CYS 68 2.020 -14.422 -6.009 523 1HB CYS 68 2HB CYS 68 -0.129 -15.310 -4.564 524 2HB CYS 68 1HB CYS 68 0.716 -14.321 -3.377 525 H GLY 69 H GLY 69 2.010 -14.940 -2.520 526 1HA GLY 69 1HA GLY 69 3.414 -13.923 -0.957 527 2HA GLY 69 2HA GLY 69 4.404 -13.317 -2.279 528 H PHE 70 H PHE 70 3.890 -16.511 -2.876 529 HA PHE 70 HA PHE 70 5.214 -18.357 -2.805 530 1HB PHE 70 2HB PHE 70 6.969 -16.268 -3.082 531 2HB PHE 70 1HB PHE 70 7.581 -17.069 -1.639 532 HD1 PHE 70 HD1 PHE 70 6.410 -17.899 -5.080 533 HD2 PHE 70 HD2 PHE 70 9.098 -18.770 -1.898 534 HE1 PHE 70 HE1 PHE 70 7.531 -19.575 -6.491 535 HE2 PHE 70 HE2 PHE 70 10.225 -20.446 -3.303 536 HZ PHE 70 HZ PHE 70 9.441 -20.850 -5.603 537 H GLY 71 H GLY 71 4.159 -16.763 -0.188 538 1HA GLY 71 1HA GLY 71 5.150 -18.870 1.628 539 2HA GLY 71 2HA GLY 71 3.573 -18.100 1.757 540 H LYS 72 H LYS 72 4.271 -15.428 1.495 541 HA LYS 72 HA LYS 72 6.332 -14.850 3.455 542 1HB LYS 72 2HB LYS 72 4.535 -13.100 1.778 543 2HB LYS 72 1HB LYS 72 5.631 -12.452 2.992 544 1HG LYS 72 2HG LYS 72 6.841 -14.299 1.047 545 2HG LYS 72 1HG LYS 72 6.265 -12.763 0.396 546 1HD LYS 72 2HD LYS 72 7.629 -11.525 1.926 547 2HD LYS 72 1HD LYS 72 8.073 -12.995 2.796 548 1HE LYS 72 2HE LYS 72 8.670 -13.097 -0.062 549 2HE LYS 72 1HE LYS 72 9.535 -11.822 0.796 550 1HZ LYS 72 1HZ LYS 72 9.495 -14.677 1.612 551 2HZ LYS 72 3HZ LYS 72 10.749 -13.940 0.748 552 3HZ LYS 72 2HZ LYS 72 10.400 -13.440 2.326 553 H THR 73 H THR 73 5.917 -13.515 5.333 554 HA THR 73 HA THR 73 3.195 -13.873 6.403 555 HB THR 73 HB THR 73 4.721 -13.688 8.646 556 HG1 THR 73 HG1 THR 73 6.376 -15.445 8.014 557 1HG2 THR 73 3HG2 THR 73 3.232 -15.696 7.250 558 2HG2 THR 73 2HG2 THR 73 4.640 -16.434 8.012 559 3HG2 THR 73 1HG2 THR 73 3.492 -15.515 8.985 560 H GLY 74 H GLY 74 2.192 -12.099 7.136 561 1HA GLY 74 2HA GLY 74 3.487 -9.897 8.348 562 2HA GLY 74 1HA GLY 74 1.824 -9.921 7.776 563 H ILE 75 H ILE 75 3.239 -7.620 7.537 564 HA ILE 75 HA ILE 75 3.168 -7.192 4.706 565 HB ILE 75 HB ILE 75 4.060 -5.297 6.882 566 1HG1 ILE 75 1HG1 ILE 75 1.365 -5.725 5.578 567 2HG1 ILE 75 2HG1 ILE 75 1.773 -5.996 7.268 568 1HG2 ILE 75 1HG2 ILE 75 4.171 -5.104 4.051 569 2HG2 ILE 75 3HG2 ILE 75 2.945 -3.978 4.635 570 3HG2 ILE 75 2HG2 ILE 75 4.593 -3.889 5.258 571 1HD1 ILE 75 2HD1 ILE 75 1.845 -3.315 5.913 572 2HD1 ILE 75 1HD1 ILE 75 0.494 -3.925 6.869 573 3HD1 ILE 75 3HD1 ILE 75 2.060 -3.647 7.632 574 H ILE 76 H ILE 76 4.782 -7.319 3.305 575 HA ILE 76 HA ILE 76 7.496 -7.721 4.317 576 HB ILE 76 HB ILE 76 6.643 -7.986 1.444 577 1HG1 ILE 76 2HG1 ILE 76 5.133 -9.452 2.511 578 2HG1 ILE 76 1HG1 ILE 76 6.478 -10.481 2.031 579 1HG2 ILE 76 1HG2 ILE 76 9.098 -8.182 2.753 580 2HG2 ILE 76 3HG2 ILE 76 8.616 -9.845 2.416 581 3HG2 ILE 76 2HG2 ILE 76 8.726 -8.675 1.101 582 1HD1 ILE 76 2HD1 ILE 76 7.356 -10.060 4.413 583 2HD1 ILE 76 1HD1 ILE 76 5.706 -9.538 4.755 584 3HD1 ILE 76 3HD1 ILE 76 6.011 -11.178 4.182 585 H ASP 77 H ASP 77 7.818 -5.489 4.866 586 HA ASP 77 HA ASP 77 8.227 -3.740 2.531 587 1HB ASP 77 2HB ASP 77 6.672 -2.650 3.911 588 2HB ASP 77 1HB ASP 77 7.497 -3.142 5.386 589 H TYR 78 H TYR 78 10.208 -2.971 2.100 590 HA TYR 78 HA TYR 78 12.365 -3.661 3.982 591 1HB TYR 78 2HB TYR 78 12.565 -3.199 0.998 592 2HB TYR 78 1HB TYR 78 13.868 -3.717 2.062 593 HD1 TYR 78 HD1 TYR 78 10.494 -4.759 0.869 594 HD2 TYR 78 HD2 TYR 78 14.289 -5.986 2.348 595 HE1 TYR 78 HE1 TYR 78 9.888 -7.106 0.458 596 HE2 TYR 78 HE2 TYR 78 13.695 -8.337 1.940 597 HH TYR 78 HH TYR 78 11.896 -9.502 0.177 598 H GLY 79 H GLY 79 10.584 -1.106 2.828 599 1HA GLY 79 2HA GLY 79 12.688 0.789 3.644 600 2HA GLY 79 1HA GLY 79 10.954 1.098 3.710 601 H ILE 80 H ILE 80 11.951 3.100 2.584 602 HA ILE 80 HA ILE 80 11.050 3.202 -0.035 603 HB ILE 80 HB ILE 80 13.204 5.003 1.043 604 1HG1 ILE 80 2HG1 ILE 80 10.244 5.009 1.644 605 2HG1 ILE 80 1HG1 ILE 80 11.564 4.838 2.793 606 1HG2 ILE 80 1HG2 ILE 80 12.122 5.018 -1.387 607 2HG2 ILE 80 3HG2 ILE 80 10.895 5.966 -0.548 608 3HG2 ILE 80 2HG2 ILE 80 12.575 6.501 -0.549 609 1HD1 ILE 80 2HD1 ILE 80 11.955 7.265 1.400 610 2HD1 ILE 80 1HD1 ILE 80 10.272 7.198 1.920 611 3HD1 ILE 80 3HD1 ILE 80 11.568 7.019 3.103 612 H ARG 81 H ARG 81 12.228 3.567 -2.018 613 HA ARG 81 HA ARG 81 14.823 2.170 -2.084 614 1HB ARG 81 2HB ARG 81 12.608 2.118 -4.141 615 2HB ARG 81 1HB ARG 81 14.201 1.408 -4.370 616 1HG ARG 81 2HG ARG 81 13.168 0.405 -1.936 617 2HG ARG 81 1HG ARG 81 11.899 0.272 -3.155 618 1HD ARG 81 2HD ARG 81 14.724 -0.743 -3.443 619 2HD ARG 81 1HD ARG 81 13.312 -1.732 -3.076 620 HE ARG 81 HE ARG 81 12.696 -0.416 -5.407 621 1HH1 ARG 81 1HH1 ARG 81 15.198 -2.589 -4.334 622 2HH1 ARG 81 2HH1 ARG 81 15.445 -3.284 -5.900 623 1HH2 ARG 81 1HH2 ARG 81 13.014 -1.325 -7.474 624 2HH2 ARG 81 2HH2 ARG 81 14.204 -2.566 -7.686 625 H LEU 82 H LEU 82 13.718 5.115 -2.127 626 HA LEU 82 HA LEU 82 14.361 7.111 -3.008 627 1HB LEU 82 2HB LEU 82 16.630 5.654 -2.652 628 2HB LEU 82 1HB LEU 82 16.745 6.035 -4.356 629 HG LEU 82 HG LEU 82 17.968 7.674 -3.074 630 1HD1 LEU 82 1HD1 LEU 82 16.780 8.440 -5.082 631 2HD1 LEU 82 3HD1 LEU 82 15.389 8.865 -4.083 632 3HD1 LEU 82 2HD1 LEU 82 16.921 9.711 -3.867 633 1HD2 LEU 82 1HD2 LEU 82 15.373 8.093 -1.605 634 2HD2 LEU 82 3HD2 LEU 82 16.894 7.496 -0.941 635 3HD2 LEU 82 2HD2 LEU 82 16.767 9.167 -1.491 636 H ASN 83 H ASN 83 12.529 5.750 -4.539 637 HA ASN 83 HA ASN 83 12.865 6.997 -7.070 638 1HB ASN 83 2HB ASN 83 14.311 4.986 -7.378 639 2HB ASN 83 1HB ASN 83 12.900 3.972 -7.090 640 1HD2 ASN 83 1HD2 ASN 83 14.189 6.484 -9.195 641 2HD2 ASN 83 2HD2 ASN 83 13.300 6.015 -10.600 642 H ARG 84 H ARG 84 10.873 7.797 -6.040 643 HA ARG 84 HA ARG 84 8.621 6.135 -5.651 644 1HB ARG 84 2HB ARG 84 8.367 9.035 -6.356 645 2HB ARG 84 1HB ARG 84 7.439 8.085 -5.206 646 1HG ARG 84 2HG ARG 84 8.702 8.880 -3.581 647 2HG ARG 84 1HG ARG 84 10.090 8.051 -4.287 648 1HD ARG 84 2HD ARG 84 10.994 9.969 -4.962 649 2HD ARG 84 1HD ARG 84 9.486 10.490 -5.712 650 HE ARG 84 HE ARG 84 10.386 11.090 -2.999 651 1HH1 ARG 84 1HH1 ARG 84 7.943 11.361 -5.467 652 2HH1 ARG 84 2HH1 ARG 84 7.118 12.669 -4.688 653 1HH2 ARG 84 1HH2 ARG 84 9.306 12.813 -1.966 654 2HH2 ARG 84 2HH2 ARG 84 7.892 13.494 -2.700 655 H SER 85 H SER 85 10.178 6.968 -8.458 656 HA SER 85 HA SER 85 7.937 7.379 -10.181 657 1HB SER 85 2HB SER 85 9.583 7.062 -12.010 658 2HB SER 85 1HB SER 85 10.136 8.224 -10.804 659 HG SER 85 HG SER 85 11.298 5.944 -11.596 660 H GLU 86 H GLU 86 8.436 4.811 -8.425 661 HA GLU 86 HA GLU 86 8.432 2.684 -10.337 662 1HB GLU 86 2HB GLU 86 7.908 2.846 -7.378 663 2HB GLU 86 1HB GLU 86 7.691 1.348 -8.270 664 1HG GLU 86 2HG GLU 86 10.266 2.775 -8.590 665 2HG GLU 86 1HG GLU 86 9.959 1.964 -7.056 666 H ARG 87 H ARG 87 6.536 0.982 -10.001 667 HA ARG 87 HA ARG 87 3.972 2.417 -10.089 668 1HB ARG 87 2HB ARG 87 4.666 0.191 -11.997 669 2HB ARG 87 1HB ARG 87 3.261 1.245 -12.030 670 1HG ARG 87 2HG ARG 87 5.330 3.028 -12.195 671 2HG ARG 87 1HG ARG 87 5.937 1.649 -13.112 672 1HD ARG 87 2HD ARG 87 3.160 2.273 -13.715 673 2HD ARG 87 1HD ARG 87 4.251 3.616 -14.054 674 HE ARG 87 HE ARG 87 5.351 1.257 -15.106 675 1HH1 ARG 87 1HH1 ARG 87 2.691 3.441 -15.633 676 2HH1 ARG 87 2HH1 ARG 87 2.598 3.124 -17.333 677 1HH2 ARG 87 2HH2 ARG 87 5.239 0.832 -17.344 678 2HH2 ARG 87 1HH2 ARG 87 4.048 1.640 -18.307 679 H TRP 88 H TRP 88 2.764 1.666 -8.527 680 HA TRP 88 HA TRP 88 2.312 -1.187 -8.238 681 1HB TRP 88 2HB TRP 88 3.018 0.356 -5.751 682 2HB TRP 88 1HB TRP 88 2.923 -1.386 -5.973 683 HD1 TRP 88 HD1 TRP 88 5.343 1.439 -5.977 684 HE1 TRP 88 HE1 TRP 88 7.680 0.598 -6.655 685 HE3 TRP 88 HE3 TRP 88 4.074 -3.216 -7.671 686 HZ2 TRP 88 HZ2 TRP 88 8.833 -1.730 -7.760 687 HZ3 TRP 88 HZ3 TRP 88 5.853 -4.688 -8.520 688 HH2 TRP 88 HH2 TRP 88 8.183 -3.959 -8.563 689 H ASP 89 H ASP 89 1.060 -0.819 -5.624 690 HA ASP 89 HA ASP 89 -1.393 0.481 -6.544 691 1HB ASP 89 2HB ASP 89 -1.690 -0.779 -3.983 692 2HB ASP 89 1HB ASP 89 -2.444 -1.204 -5.516 693 H ALA 90 H ALA 90 -2.635 1.174 -4.248 694 HA ALA 90 HA ALA 90 -0.819 2.905 -2.749 695 1HB ALA 90 3HB ALA 90 -1.549 4.283 -4.606 696 2HB ALA 90 1HB ALA 90 -2.257 4.865 -3.099 697 3HB ALA 90 2HB ALA 90 -3.237 3.932 -4.230 698 H TYR 91 H TYR 91 -1.232 2.602 -0.656 699 HA TYR 91 HA TYR 91 -3.786 1.520 0.195 700 1HB TYR 91 2HB TYR 91 -1.150 2.022 1.557 701 2HB TYR 91 1HB TYR 91 -2.589 1.632 2.486 702 HD1 TYR 91 HD1 TYR 91 -3.917 -0.508 1.389 703 HD2 TYR 91 HD2 TYR 91 0.262 0.266 1.153 704 HE1 TYR 91 HE1 TYR 91 -3.500 -2.899 1.012 705 HE2 TYR 91 HE2 TYR 91 0.688 -2.125 0.777 706 HH TYR 91 HH TYR 91 -1.642 -4.292 -0.104 707 H CYS 92 H CYS 92 -5.423 2.839 0.663 708 HA CYS 92 HA CYS 92 -4.880 5.617 1.371 709 1HB CYS 92 2HB CYS 92 -7.184 4.125 0.253 710 2HB CYS 92 1HB CYS 92 -7.574 5.491 1.293 711 H TYR 93 H TYR 93 -5.930 6.643 3.162 712 HA TYR 93 HA TYR 93 -7.096 4.989 5.227 713 1HB TYR 93 2HB TYR 93 -4.648 4.764 5.608 714 2HB TYR 93 1HB TYR 93 -4.539 6.512 5.777 715 HD1 TYR 93 HD1 TYR 93 -6.433 7.442 7.522 716 HD2 TYR 93 HD2 TYR 93 -4.620 3.594 7.594 717 HE1 TYR 93 HE1 TYR 93 -6.943 7.257 9.920 718 HE2 TYR 93 HE2 TYR 93 -5.125 3.396 9.993 719 HH TYR 93 HH TYR 93 -7.208 5.593 11.623 720 H ASN 94 H ASN 94 -8.912 6.223 5.284 721 HA ASN 94 HA ASN 94 -8.559 9.037 6.069 722 1HB ASN 94 2HB ASN 94 -10.907 8.036 4.474 723 2HB ASN 94 1HB ASN 94 -10.411 9.702 4.746 724 1HD2 ASN 94 2HD2 ASN 94 -10.839 9.359 2.288 725 2HD2 ASN 94 1HD2 ASN 94 -9.420 9.063 1.347 726 HA PRO 95 HA PRO 95 -10.730 7.980 9.774 727 1HB PRO 95 2HB PRO 95 -11.910 10.695 9.437 728 2HB PRO 95 1HB PRO 95 -11.099 9.985 10.839 729 1HG PRO 95 2HG PRO 95 -9.856 11.774 9.299 730 2HG PRO 95 1HG PRO 95 -8.984 10.394 9.991 731 1HD PRO 95 2HD PRO 95 -9.913 10.843 7.196 732 2HD PRO 95 1HD PRO 95 -8.464 10.005 7.786 733 H HIS 96 H HIS 96 -12.389 9.474 7.046 734 HA HIS 96 HA HIS 96 -14.748 7.828 7.654 735 1HB HIS 96 2HB HIS 96 -14.774 10.702 6.706 736 2HB HIS 96 1HB HIS 96 -16.196 9.674 6.859 737 HD1 HIS 96 HD1 HIS 96 -16.012 8.499 9.561 738 HD2 HIS 96 HD2 HIS 96 -14.815 12.404 8.797 739 HE1 HIS 96 HE1 HIS 96 -16.104 9.677 11.781 740 HE2 HIS 96 HE2 HIS 96 -15.460 12.060 11.278 741 H ALA 97 H ALA 97 -12.613 9.252 5.317 742 HA ALA 97 HA ALA 97 -12.533 9.145 3.016 743 1HB ALA 97 1HB ALA 97 -12.759 6.555 2.399 744 2HB ALA 97 3HB ALA 97 -11.345 7.226 3.215 745 3HB ALA 97 2HB ALA 97 -12.603 6.416 4.150 746 H LYS 98 H LYS 98 -14.856 10.221 3.300 747 HA LYS 98 HA LYS 98 -16.692 8.625 1.638 748 1HB LYS 98 2HB LYS 98 -17.552 8.848 3.935 749 2HB LYS 98 1HB LYS 98 -17.448 10.598 3.802 750 1HG LYS 98 2HG LYS 98 -19.695 10.119 3.423 751 2HG LYS 98 1HG LYS 98 -19.026 10.364 1.809 752 1HD LYS 98 2HD LYS 98 -19.713 8.338 1.212 753 2HD LYS 98 1HD LYS 98 -18.713 7.623 2.477 754 1HE LYS 98 2HE LYS 98 -20.958 8.679 3.779 755 2HE LYS 98 1HE LYS 98 -21.573 7.875 2.336 756 1HZ LYS 98 1HZ LYS 98 -20.030 5.970 3.094 757 2HZ LYS 98 3HZ LYS 98 -20.097 6.726 4.607 758 3HZ LYS 98 2HZ LYS 98 -21.518 6.180 3.871 No H/Q in entry = 758 Start of MODEL 2 1 H1 GLY 1 2H GLY 1 -11.616 3.833 7.240 2 H2 GLY 1 1H GLY 1 -12.301 2.825 8.413 3 H3 GLY 1 3H GLY 1 -11.671 4.332 8.856 4 1HA GLY 1 2HA GLY 1 -10.359 1.871 8.798 5 2HA GLY 1 1HA GLY 1 -9.703 3.438 9.241 6 H VAL 2 H VAL 2 -8.085 1.587 8.083 7 HA VAL 2 HA VAL 2 -7.360 2.947 5.618 8 HB VAL 2 HB VAL 2 -5.500 2.659 6.999 9 1HG1 VAL 2 1HG1 VAL 2 -6.908 0.513 8.061 10 2HG1 VAL 2 3HG1 VAL 2 -5.435 -0.199 7.402 11 3HG1 VAL 2 2HG1 VAL 2 -5.332 1.110 8.580 12 1HG2 VAL 2 3HG2 VAL 2 -5.464 1.607 4.532 13 2HG2 VAL 2 2HG2 VAL 2 -4.043 1.694 5.575 14 3HG2 VAL 2 1HG2 VAL 2 -4.970 0.197 5.469 15 H TYR 3 H TYR 3 -7.035 1.932 3.635 16 HA TYR 3 HA TYR 3 -7.739 -0.858 3.316 17 1HB TYR 3 2HB TYR 3 -9.485 -0.406 1.631 18 2HB TYR 3 1HB TYR 3 -9.935 0.197 3.221 19 HD1 TYR 3 HD1 TYR 3 -9.606 2.692 3.683 20 HD2 TYR 3 HD2 TYR 3 -9.484 1.018 -0.226 21 HE1 TYR 3 HE1 TYR 3 -10.026 4.918 2.723 22 HE2 TYR 3 HE2 TYR 3 -9.903 3.237 -1.196 23 HH TYR 3 HH TYR 3 -9.712 5.557 -0.641 24 H HIS 4 H HIS 4 -7.892 -1.180 0.707 25 HA HIS 4 HA HIS 4 -5.382 -0.018 -0.294 26 1HB HIS 4 2HB HIS 4 -5.046 -2.329 -0.187 27 2HB HIS 4 1HB HIS 4 -6.689 -2.688 -0.709 28 HD1 HIS 4 HD1 HIS 4 -7.077 -3.004 -3.177 29 HD2 HIS 4 HD2 HIS 4 -3.296 -1.508 -2.319 30 HE1 HIS 4 HE1 HIS 4 -5.813 -3.087 -5.348 31 HE2 HIS 4 HE2 HIS 4 -3.497 -2.272 -4.782 32 H ARG 5 H ARG 5 -5.216 0.401 -2.582 33 HA ARG 5 HA ARG 5 -7.629 0.580 -4.153 34 1HB ARG 5 2HB ARG 5 -6.501 2.903 -2.750 35 2HB ARG 5 1HB ARG 5 -6.774 3.161 -4.466 36 1HG ARG 5 2HG ARG 5 -8.965 1.939 -2.881 37 2HG ARG 5 1HG ARG 5 -8.635 3.658 -2.663 38 1HD ARG 5 2HD ARG 5 -8.774 3.906 -5.153 39 2HD ARG 5 1HD ARG 5 -9.331 2.235 -5.225 40 HE ARG 5 HE ARG 5 -10.825 4.074 -3.528 41 1HH1 ARG 5 2HH1 ARG 5 -10.586 2.320 -6.527 42 2HH1 ARG 5 1HH1 ARG 5 -12.270 2.473 -6.902 43 1HH2 ARG 5 2HH2 ARG 5 -13.046 4.281 -4.011 44 2HH2 ARG 5 1HH2 ARG 5 -13.668 3.588 -5.471 45 H GLU 6 H GLU 6 -7.223 0.927 -6.364 46 HA GLU 6 HA GLU 6 -4.377 0.727 -7.100 47 1HB GLU 6 2HB GLU 6 -5.071 -0.497 -9.084 48 2HB GLU 6 1HB GLU 6 -5.692 -1.282 -7.639 49 1HG GLU 6 2HG GLU 6 -7.313 0.599 -9.333 50 2HG GLU 6 1HG GLU 6 -7.282 -1.149 -9.566 51 H ALA 7 H ALA 7 -4.396 1.240 -9.720 52 HA ALA 7 HA ALA 7 -5.033 4.082 -9.788 53 1HB ALA 7 3HB ALA 7 -3.060 4.161 -10.806 54 2HB ALA 7 2HB ALA 7 -3.005 2.403 -10.940 55 3HB ALA 7 1HB ALA 7 -3.797 3.358 -12.193 56 H ARG 8 H ARG 8 -6.017 5.050 -11.688 57 HA ARG 8 HA ARG 8 -8.455 3.849 -12.381 58 1HB ARG 8 2HB ARG 8 -6.938 6.163 -13.582 59 2HB ARG 8 1HB ARG 8 -8.530 5.678 -14.149 60 1HG ARG 8 2HG ARG 8 -9.233 7.199 -12.660 61 2HG ARG 8 1HG ARG 8 -9.011 5.881 -11.509 62 1HD ARG 8 2HD ARG 8 -6.735 6.704 -11.045 63 2HD ARG 8 1HD ARG 8 -7.015 8.049 -12.149 64 HE ARG 8 HE ARG 8 -8.539 7.631 -9.658 65 1HH1 ARG 8 1HH1 ARG 8 -7.020 9.695 -12.017 66 2HH1 ARG 8 2HH1 ARG 8 -7.432 11.160 -11.191 67 1HH2 ARG 8 1HH2 ARG 8 -9.087 9.554 -8.562 68 2HH2 ARG 8 2HH2 ARG 8 -8.606 11.080 -9.226 69 H SER 9 H SER 9 -5.310 3.492 -13.692 70 HA SER 9 HA SER 9 -6.311 2.391 -16.206 71 1HB SER 9 2HB SER 9 -3.458 2.795 -15.275 72 2HB SER 9 1HB SER 9 -3.964 2.319 -16.896 73 HG SER 9 HG SER 9 -3.534 4.699 -16.238 74 H GLY 10 H GLY 10 -4.929 1.413 -13.164 75 1HA GLY 10 2HA GLY 10 -4.567 -1.335 -14.112 76 2HA GLY 10 1HA GLY 10 -5.771 -1.054 -12.862 77 H LYS 11 H LYS 11 -4.337 -2.631 -11.742 78 HA LYS 11 HA LYS 11 -2.886 -1.406 -9.712 79 1HB LYS 11 2HB LYS 11 -3.726 -3.550 -9.255 80 2HB LYS 11 1HB LYS 11 -3.025 -4.235 -10.715 81 1HG LYS 11 2HG LYS 11 -0.789 -4.005 -9.756 82 2HG LYS 11 1HG LYS 11 -1.492 -3.324 -8.286 83 1HD LYS 11 2HD LYS 11 -1.353 -5.487 -7.610 84 2HD LYS 11 1HD LYS 11 -2.919 -5.575 -8.420 85 1HE LYS 11 2HE LYS 11 -0.247 -6.317 -9.607 86 2HE LYS 11 1HE LYS 11 -1.502 -7.439 -9.079 87 1HZ LYS 11 2HZ LYS 11 -2.960 -6.195 -10.757 88 2HZ LYS 11 1HZ LYS 11 -1.506 -5.629 -11.408 89 3HZ LYS 11 3HZ LYS 11 -1.819 -7.290 -11.353 90 H TYR 12 H TYR 12 -0.649 -1.397 -9.214 91 HA TYR 12 HA TYR 12 1.559 -1.058 -9.630 92 1HB TYR 12 2HB TYR 12 0.980 -2.966 -11.901 93 2HB TYR 12 1HB TYR 12 2.595 -2.390 -11.501 94 HD1 TYR 12 HD1 TYR 12 1.337 -2.485 -8.405 95 HD2 TYR 12 HD2 TYR 12 2.222 -5.217 -11.545 96 HE1 TYR 12 HE1 TYR 12 1.572 -4.293 -6.757 97 HE2 TYR 12 HE2 TYR 12 2.459 -7.033 -9.905 98 HH TYR 12 HH TYR 12 2.465 -6.425 -6.475 99 H LYS 13 H LYS 13 0.144 1.037 -10.302 100 HA LYS 13 HA LYS 13 1.569 2.118 -12.579 101 1HB LYS 13 2HB LYS 13 -1.428 1.846 -12.514 102 2HB LYS 13 1HB LYS 13 -0.638 3.094 -13.468 103 1HG LYS 13 2HG LYS 13 0.704 1.173 -14.510 104 2HG LYS 13 1HG LYS 13 -0.527 0.122 -13.807 105 1HD LYS 13 2HD LYS 13 -2.206 1.719 -14.964 106 2HD LYS 13 1HD LYS 13 -0.816 2.209 -15.934 107 1HE LYS 13 2HE LYS 13 -0.468 -0.278 -16.382 108 2HE LYS 13 1HE LYS 13 -2.089 -0.503 -15.726 109 1HZ LYS 13 3HZ LYS 13 -2.579 1.413 -17.471 110 2HZ LYS 13 2HZ LYS 13 -1.258 0.696 -18.247 111 3HZ LYS 13 1HZ LYS 13 -2.629 -0.226 -17.886 112 H LEU 14 H LEU 14 0.680 2.362 -9.522 113 HA LEU 14 HA LEU 14 0.308 5.281 -9.551 114 1HB LEU 14 2HB LEU 14 -0.515 3.113 -7.673 115 2HB LEU 14 1HB LEU 14 -0.242 4.721 -7.038 116 HG LEU 14 HG LEU 14 -2.080 4.333 -9.371 117 1HD1 LEU 14 2HD1 LEU 14 -2.534 2.813 -7.254 118 2HD1 LEU 14 1HD1 LEU 14 -3.202 4.319 -6.623 119 3HD1 LEU 14 3HD1 LEU 14 -3.843 3.626 -8.113 120 1HD2 LEU 14 3HD2 LEU 14 -1.921 6.326 -7.116 121 2HD2 LEU 14 2HD2 LEU 14 -1.482 6.599 -8.802 122 3HD2 LEU 14 1HD2 LEU 14 -3.166 6.309 -8.366 123 H THR 15 H THR 15 1.853 6.561 -8.780 124 HA THR 15 HA THR 15 4.194 5.302 -7.525 125 HB THR 15 HB THR 15 5.540 6.941 -8.410 126 HG1 THR 15 HG1 THR 15 4.402 9.016 -9.153 127 1HG2 THR 15 1HG2 THR 15 3.601 5.934 -10.167 128 2HG2 THR 15 3HG2 THR 15 3.770 7.643 -10.569 129 3HG2 THR 15 2HG2 THR 15 5.184 6.589 -10.583 130 H TYR 16 H TYR 16 5.122 6.238 -5.639 131 HA TYR 16 HA TYR 16 3.576 6.791 -3.535 132 1HB TYR 16 2HB TYR 16 5.972 6.615 -3.282 133 2HB TYR 16 1HB TYR 16 6.217 8.124 -4.155 134 HD1 TYR 16 HD1 TYR 16 4.685 6.728 -1.062 135 HD2 TYR 16 HD2 TYR 16 6.302 10.155 -3.005 136 HE1 TYR 16 HE1 TYR 16 4.593 7.970 1.059 137 HE2 TYR 16 HE2 TYR 16 6.216 11.403 -0.887 138 HH TYR 16 HH TYR 16 4.749 11.202 1.309 139 H ALA 17 H ALA 17 4.629 9.213 -5.893 140 HA ALA 17 HA ALA 17 3.384 11.415 -4.607 141 1HB ALA 17 2HB ALA 17 4.151 11.115 -7.508 142 2HB ALA 17 1HB ALA 17 3.814 12.627 -6.665 143 3HB ALA 17 3HB ALA 17 5.221 11.663 -6.217 144 H GLU 18 H GLU 18 2.379 9.299 -7.291 145 HA GLU 18 HA GLU 18 -0.089 10.614 -7.760 146 1HB GLU 18 2HB GLU 18 0.436 7.707 -8.323 147 2HB GLU 18 1HB GLU 18 -0.565 8.832 -9.225 148 1HG GLU 18 2HG GLU 18 1.578 10.070 -9.774 149 2HG GLU 18 1HG GLU 18 2.425 8.659 -9.143 150 H ALA 19 H ALA 19 0.699 7.543 -6.187 151 HA ALA 19 HA ALA 19 -1.713 6.735 -5.245 152 1HB ALA 19 2HB ALA 19 -0.270 5.192 -4.528 153 2HB ALA 19 3HB ALA 19 -0.038 6.214 -3.110 154 3HB ALA 19 1HB ALA 19 1.061 6.349 -4.484 155 H LYS 20 H LYS 20 0.371 9.232 -3.880 156 HA LYS 20 HA LYS 20 -1.183 9.682 -1.542 157 1HB LYS 20 2HB LYS 20 1.272 10.326 -2.011 158 2HB LYS 20 1HB LYS 20 0.603 11.730 -2.831 159 1HG LYS 20 2HG LYS 20 -0.628 12.243 -0.687 160 2HG LYS 20 1HG LYS 20 0.365 10.998 0.072 161 1HD LYS 20 2HD LYS 20 1.887 12.587 0.427 162 2HD LYS 20 1HD LYS 20 2.187 12.564 -1.313 163 1HE LYS 20 2HE LYS 20 0.788 14.399 -1.695 164 2HE LYS 20 1HE LYS 20 -0.006 14.233 -0.131 165 1HZ LYS 20 3HZ LYS 20 2.448 14.680 0.690 166 2HZ LYS 20 2HZ LYS 20 2.546 15.483 -0.794 167 3HZ LYS 20 1HZ LYS 20 1.378 15.943 0.339 168 H ALA 21 H ALA 21 -1.121 11.102 -4.767 169 HA ALA 21 HA ALA 21 -2.821 13.276 -4.278 170 1HB ALA 21 2HB ALA 21 -3.311 13.104 -6.763 171 2HB ALA 21 3HB ALA 21 -2.236 11.704 -6.771 172 3HB ALA 21 1HB ALA 21 -1.618 13.288 -6.303 173 H VAL 22 H VAL 22 -3.528 9.955 -5.264 174 HA VAL 22 HA VAL 22 -6.302 10.273 -5.618 175 HB VAL 22 HB VAL 22 -4.506 7.932 -5.186 176 1HG1 VAL 22 1HG1 VAL 22 -6.424 7.426 -3.771 177 2HG1 VAL 22 3HG1 VAL 22 -7.518 7.770 -5.110 178 3HG1 VAL 22 2HG1 VAL 22 -6.414 6.398 -5.203 179 1HG2 VAL 22 3HG2 VAL 22 -6.499 8.700 -7.313 180 2HG2 VAL 22 2HG2 VAL 22 -4.742 8.806 -7.420 181 3HG2 VAL 22 1HG2 VAL 22 -5.527 7.229 -7.326 182 H CYS 23 H CYS 23 -4.428 9.142 -2.830 183 HA CYS 23 HA CYS 23 -6.670 8.723 -1.154 184 1HB CYS 23 2HB CYS 23 -4.165 7.947 -0.916 185 2HB CYS 23 1HB CYS 23 -3.997 9.455 -0.023 186 H GLU 24 H GLU 24 -4.280 11.359 -1.245 187 HA GLU 24 HA GLU 24 -5.733 12.994 0.588 188 1HB GLU 24 2HB GLU 24 -3.232 13.082 0.095 189 2HB GLU 24 1HB GLU 24 -3.652 13.946 -1.376 190 1HG GLU 24 2HG GLU 24 -4.282 15.834 -0.258 191 2HG GLU 24 1HG GLU 24 -4.722 14.954 1.204 192 H PHE 25 H PHE 25 -6.454 12.113 -2.479 193 HA PHE 25 HA PHE 25 -7.216 14.523 -3.723 194 1HB PHE 25 2HB PHE 25 -7.055 11.962 -4.545 195 2HB PHE 25 1HB PHE 25 -8.792 12.079 -4.291 196 HD1 PHE 25 HD1 PHE 25 -5.960 13.714 -6.040 197 HD2 PHE 25 HD2 PHE 25 -10.159 13.042 -5.893 198 HE1 PHE 25 HE1 PHE 25 -6.202 14.800 -8.234 199 HE2 PHE 25 HE2 PHE 25 -10.413 14.129 -8.089 200 HZ PHE 25 HZ PHE 25 -8.432 15.010 -9.262 201 H GLU 26 H GLU 26 -9.057 12.153 -1.847 202 HA GLU 26 HA GLU 26 -11.188 14.161 -1.542 203 1HB GLU 26 2HB GLU 26 -11.797 11.322 -0.990 204 2HB GLU 26 1HB GLU 26 -12.773 12.553 -1.782 205 1HG GLU 26 2HG GLU 26 -11.331 12.337 -3.782 206 2HG GLU 26 1HG GLU 26 -10.488 11.016 -2.984 207 H GLY 27 H GLY 27 -9.510 14.798 0.194 208 1HA GLY 27 1HA GLY 27 -10.602 14.455 2.696 209 2HA GLY 27 2HA GLY 27 -8.948 14.969 2.413 210 H GLY 28 H GLY 28 -7.862 12.702 1.289 211 1HA GLY 28 2HA GLY 28 -7.735 10.294 1.784 212 2HA GLY 28 1HA GLY 28 -8.193 10.696 3.436 213 H HIS 29 H HIS 29 -6.096 9.262 3.520 214 HA HIS 29 HA HIS 29 -3.666 10.820 3.190 215 1HB HIS 29 2HB HIS 29 -3.505 9.765 5.823 216 2HB HIS 29 1HB HIS 29 -3.462 11.452 5.320 217 HD1 HIS 29 HD1 HIS 29 -5.951 12.572 5.059 218 HD2 HIS 29 HD2 HIS 29 -5.644 9.126 7.364 219 HE1 HIS 29 HE1 HIS 29 -8.035 12.517 6.467 220 HE2 HIS 29 HE2 HIS 29 -7.793 10.461 7.904 221 H LEU 30 H LEU 30 -1.950 9.571 2.743 222 HA LEU 30 HA LEU 30 -2.144 6.955 1.988 223 1HB LEU 30 2HB LEU 30 -0.105 8.874 2.241 224 2HB LEU 30 1HB LEU 30 0.479 7.441 3.064 225 HG LEU 30 HG LEU 30 -0.651 7.288 0.290 226 1HD1 LEU 30 1HD1 LEU 30 1.740 8.649 1.085 227 2HD1 LEU 30 3HD1 LEU 30 2.152 7.217 0.141 228 3HD1 LEU 30 2HD1 LEU 30 1.062 8.434 -0.528 229 1HD2 LEU 30 2HD2 LEU 30 0.330 5.423 2.170 230 2HD2 LEU 30 1HD2 LEU 30 -0.164 5.133 0.500 231 3HD2 LEU 30 3HD2 LEU 30 1.517 5.525 0.867 232 H ALA 31 H ALA 31 -1.837 4.972 2.901 233 HA ALA 31 HA ALA 31 -2.148 4.815 5.774 234 1HB ALA 31 1HB ALA 31 -2.891 3.205 3.572 235 2HB ALA 31 3HB ALA 31 -1.817 2.241 4.586 236 3HB ALA 31 2HB ALA 31 -3.271 2.964 5.279 237 H THR 32 H THR 32 -0.709 3.811 7.196 238 HA THR 32 HA THR 32 2.061 3.727 6.234 239 HB THR 32 HB THR 32 2.754 3.940 8.536 240 HG1 THR 32 HG1 THR 32 1.142 4.084 10.192 241 1HG2 THR 32 2HG2 THR 32 0.673 5.837 7.537 242 2HG2 THR 32 1HG2 THR 32 1.370 6.074 9.138 243 3HG2 THR 32 3HG2 THR 32 2.411 6.070 7.716 244 H TYR 33 H TYR 33 3.314 2.208 8.022 245 HA TYR 33 HA TYR 33 2.685 -0.445 7.189 246 1HB TYR 33 2HB TYR 33 4.998 0.277 7.610 247 2HB TYR 33 1HB TYR 33 4.617 0.520 9.307 248 HD1 TYR 33 HD1 TYR 33 4.455 -2.174 6.720 249 HD2 TYR 33 HD2 TYR 33 5.164 -1.158 10.791 250 HE1 TYR 33 HE1 TYR 33 5.062 -4.505 7.187 251 HE2 TYR 33 HE2 TYR 33 5.777 -3.491 11.271 252 HH TYR 33 HH TYR 33 6.257 -5.819 8.765 253 H LYS 34 H LYS 34 2.973 0.907 10.454 254 HA LYS 34 HA LYS 34 1.792 -1.123 11.866 255 1HB LYS 34 2HB LYS 34 1.549 1.838 12.424 256 2HB LYS 34 1HB LYS 34 1.247 0.556 13.586 257 1HG LYS 34 2HG LYS 34 3.626 -0.154 13.297 258 2HG LYS 34 1HG LYS 34 3.873 1.299 12.325 259 1HD LYS 34 2HD LYS 34 3.254 2.701 14.196 260 2HD LYS 34 1HD LYS 34 2.878 1.280 15.172 261 1HE LYS 34 2HE LYS 34 4.988 1.184 15.847 262 2HE LYS 34 1HE LYS 34 5.513 0.973 14.177 263 1HZ LYS 34 3HZ LYS 34 5.050 3.592 15.497 264 2HZ LYS 34 2HZ LYS 34 6.566 2.883 15.248 265 3HZ LYS 34 1HZ LYS 34 5.625 3.355 13.923 266 H GLN 35 H GLN 35 0.231 1.534 10.136 267 HA GLN 35 HA GLN 35 -2.394 1.017 11.033 268 1HB GLN 35 2HB GLN 35 -1.345 2.379 8.551 269 2HB GLN 35 1HB GLN 35 -3.047 2.326 8.981 270 1HG GLN 35 2HG GLN 35 -2.524 3.482 11.091 271 2HG GLN 35 1HG GLN 35 -0.840 3.589 10.585 272 1HE2 GLN 35 1HE2 GLN 35 -2.026 5.875 11.194 273 2HE2 GLN 35 2HE2 GLN 35 -2.392 6.799 9.779 274 H LEU 36 H LEU 36 -0.737 0.148 8.002 275 HA LEU 36 HA LEU 36 -2.803 -1.371 6.894 276 1HB LEU 36 2HB LEU 36 -0.193 -0.715 6.197 277 2HB LEU 36 1HB LEU 36 -0.163 -2.461 6.334 278 HG LEU 36 HG LEU 36 -0.638 -1.514 4.031 279 1HD1 LEU 36 2HD1 LEU 36 -1.358 -3.832 5.140 280 2HD1 LEU 36 1HD1 LEU 36 -2.958 -3.194 4.763 281 3HD1 LEU 36 3HD1 LEU 36 -1.767 -3.399 3.480 282 1HD2 LEU 36 1HD2 LEU 36 -2.501 0.000 5.384 283 2HD2 LEU 36 3HD2 LEU 36 -2.399 -0.207 3.636 284 3HD2 LEU 36 2HD2 LEU 36 -3.476 -1.233 4.583 285 H GLU 37 H GLU 37 -0.536 -2.066 9.406 286 HA GLU 37 HA GLU 37 -0.782 -4.899 9.401 287 1HB GLU 37 2HB GLU 37 1.093 -3.675 10.467 288 2HB GLU 37 1HB GLU 37 -0.026 -3.051 11.669 289 1HG GLU 37 2HG GLU 37 -0.525 -5.617 12.013 290 2HG GLU 37 1HG GLU 37 1.104 -5.773 11.359 291 H ALA 38 H ALA 38 -2.046 -2.452 11.622 292 HA ALA 38 HA ALA 38 -3.734 -4.073 13.089 293 1HB ALA 38 1HB ALA 38 -3.082 -1.455 13.180 294 2HB ALA 38 2HB ALA 38 -4.393 -2.177 14.111 295 3HB ALA 38 3HB ALA 38 -4.741 -1.354 12.591 296 H ALA 39 H ALA 39 -4.048 -3.009 9.857 297 HA ALA 39 HA ALA 39 -6.928 -3.495 9.772 298 1HB ALA 39 2HB ALA 39 -4.964 -2.556 7.686 299 2HB ALA 39 3HB ALA 39 -6.215 -1.610 8.491 300 3HB ALA 39 1HB ALA 39 -6.665 -2.877 7.350 301 H ARG 40 H ARG 40 -3.896 -4.886 8.837 302 HA ARG 40 HA ARG 40 -4.902 -6.974 7.199 303 1HB ARG 40 2HB ARG 40 -2.623 -6.348 6.929 304 2HB ARG 40 1HB ARG 40 -2.310 -6.493 8.654 305 1HG ARG 40 2HG ARG 40 -3.228 -9.007 7.642 306 2HG ARG 40 1HG ARG 40 -1.900 -8.417 6.642 307 1HD ARG 40 2HD ARG 40 -0.420 -8.931 8.214 308 2HD ARG 40 1HD ARG 40 -1.299 -7.977 9.408 309 HE ARG 40 HE ARG 40 -2.751 -10.126 9.516 310 1HH1 ARG 40 2HH1 ARG 40 0.704 -9.964 9.103 311 2HH1 ARG 40 1HH1 ARG 40 0.997 -11.491 9.867 312 1HH2 ARG 40 1HH2 ARG 40 -2.375 -12.138 10.524 313 2HH2 ARG 40 2HH2 ARG 40 -0.753 -12.726 10.674 314 H LYS 41 H LYS 41 -4.270 -6.537 10.606 315 HA LYS 41 HA LYS 41 -4.437 -9.238 11.376 316 1HB LYS 41 2HB LYS 41 -5.066 -6.780 13.012 317 2HB LYS 41 1HB LYS 41 -4.730 -8.385 13.648 318 1HG LYS 41 2HG LYS 41 -2.522 -7.957 12.143 319 2HG LYS 41 1HG LYS 41 -2.900 -6.318 12.671 320 1HD LYS 41 2HD LYS 41 -2.990 -7.133 15.008 321 2HD LYS 41 1HD LYS 41 -2.496 -8.729 14.438 322 1HE LYS 41 2HE LYS 41 -0.403 -7.835 13.627 323 2HE LYS 41 1HE LYS 41 -0.903 -6.199 14.059 324 1HZ LYS 41 2HZ LYS 41 -1.035 -8.043 16.257 325 2HZ LYS 41 1HZ LYS 41 0.528 -7.876 15.633 326 3HZ LYS 41 3HZ LYS 41 -0.318 -6.513 16.172 327 H ILE 42 H ILE 42 -6.813 -6.943 10.468 328 HA ILE 42 HA ILE 42 -8.992 -8.352 11.779 329 HB ILE 42 HB ILE 42 -10.397 -6.608 11.057 330 1HG1 ILE 42 2HG1 ILE 42 -8.526 -5.160 9.333 331 2HG1 ILE 42 1HG1 ILE 42 -8.954 -6.746 8.708 332 1HG2 ILE 42 3HG2 ILE 42 -7.642 -5.588 11.697 333 2HG2 ILE 42 2HG2 ILE 42 -9.029 -4.509 11.537 334 3HG2 ILE 42 1HG2 ILE 42 -9.028 -5.765 12.776 335 1HD1 ILE 42 1HD1 ILE 42 -10.996 -4.720 9.571 336 2HD1 ILE 42 3HD1 ILE 42 -10.382 -4.844 7.922 337 3HD1 ILE 42 2HD1 ILE 42 -11.255 -6.197 8.641 338 H GLY 43 H GLY 43 -7.361 -8.227 8.750 339 1HA GLY 43 1HA GLY 43 -9.532 -9.669 7.399 340 2HA GLY 43 2HA GLY 43 -7.960 -10.445 7.542 341 H PHE 44 H PHE 44 -6.850 -7.526 7.288 342 HA PHE 44 HA PHE 44 -7.464 -6.839 4.572 343 1HB PHE 44 2HB PHE 44 -6.616 -5.304 6.523 344 2HB PHE 44 1HB PHE 44 -5.029 -5.840 5.996 345 HD1 PHE 44 HD1 PHE 44 -7.018 -5.895 3.172 346 HD2 PHE 44 HD2 PHE 44 -5.088 -3.147 5.790 347 HE1 PHE 44 HE1 PHE 44 -7.028 -4.199 1.393 348 HE2 PHE 44 HE2 PHE 44 -5.100 -1.444 4.008 349 HZ PHE 44 HZ PHE 44 -6.068 -1.973 1.810 350 H HIS 45 H HIS 45 -6.456 -7.422 2.746 351 HA HIS 45 HA HIS 45 -3.769 -8.474 2.769 352 1HB HIS 45 2HB HIS 45 -5.090 -10.474 3.347 353 2HB HIS 45 1HB HIS 45 -6.061 -10.248 1.898 354 HD1 HIS 45 HD1 HIS 45 -4.198 -12.757 2.608 355 HD2 HIS 45 HD2 HIS 45 -3.334 -9.692 -0.059 356 HE1 HIS 45 HE1 HIS 45 -2.513 -13.715 1.006 357 HE2 HIS 45 HE2 HIS 45 -2.051 -11.861 -0.636 358 H VAL 46 H VAL 46 -2.782 -7.740 1.022 359 HA VAL 46 HA VAL 46 -4.205 -7.586 -1.514 360 HB VAL 46 HB VAL 46 -2.614 -5.169 -1.040 361 1HG1 VAL 46 1HG1 VAL 46 -4.650 -6.074 -2.743 362 2HG1 VAL 46 3HG1 VAL 46 -5.342 -4.745 -1.812 363 3HG1 VAL 46 2HG1 VAL 46 -3.865 -4.495 -2.744 364 1HG2 VAL 46 2HG2 VAL 46 -3.637 -5.419 1.187 365 2HG2 VAL 46 1HG2 VAL 46 -4.256 -4.015 0.316 366 3HG2 VAL 46 3HG2 VAL 46 -5.228 -5.482 0.431 367 H CYS 47 H CYS 47 -2.816 -9.215 -2.235 368 HA CYS 47 HA CYS 47 -0.003 -9.129 -2.008 369 1HB CYS 47 2HB CYS 47 -1.715 -11.046 -2.757 370 2HB CYS 47 1HB CYS 47 -1.226 -10.491 -4.354 371 H ALA 48 H ALA 48 0.265 -6.829 -2.553 372 HA ALA 48 HA ALA 48 1.357 -6.489 -5.125 373 1HB ALA 48 1HB ALA 48 -0.976 -6.409 -5.838 374 2HB ALA 48 3HB ALA 48 -1.286 -5.098 -4.701 375 3HB ALA 48 2HB ALA 48 -0.191 -4.846 -6.060 376 H ALA 49 H ALA 49 2.997 -5.176 -4.723 377 HA ALA 49 HA ALA 49 3.634 -3.827 -2.500 378 1HB ALA 49 3HB ALA 49 5.396 -3.420 -3.786 379 2HB ALA 49 2HB ALA 49 4.448 -3.686 -5.249 380 3HB ALA 49 1HB ALA 49 4.501 -2.085 -4.513 381 H GLY 50 H GLY 50 2.542 -2.432 -1.288 382 1HA GLY 50 2HA GLY 50 0.521 -1.065 -1.074 383 2HA GLY 50 1HA GLY 50 0.900 -0.391 -2.652 384 H TRP 51 H TRP 51 1.618 1.616 -2.548 385 HA TRP 51 HA TRP 51 3.871 2.442 -1.167 386 1HB TRP 51 2HB TRP 51 1.560 3.927 -2.372 387 2HB TRP 51 1HB TRP 51 2.822 4.797 -1.500 388 HD1 TRP 51 HD1 TRP 51 2.024 3.435 -4.848 389 HE1 TRP 51 HE1 TRP 51 4.092 3.576 -6.385 390 HE3 TRP 51 HE3 TRP 51 5.574 4.507 -1.333 391 HZ2 TRP 51 HZ2 TRP 51 6.862 4.078 -6.131 392 HZ3 TRP 51 HZ3 TRP 51 7.905 4.803 -2.055 393 HH2 TRP 51 HH2 TRP 51 8.536 4.591 -4.406 394 H MET 52 H MET 52 4.225 3.683 0.666 395 HA MET 52 HA MET 52 2.194 4.508 2.453 396 1HB MET 52 2HB MET 52 3.214 2.789 4.258 397 2HB MET 52 1HB MET 52 1.759 2.459 3.328 398 1HG MET 52 2HG MET 52 2.711 0.615 2.581 399 2HG MET 52 1HG MET 52 3.892 1.609 1.731 400 1HE MET 52 3HE MET 52 2.972 -0.282 4.931 401 2HE MET 52 2HE MET 52 3.761 -1.424 3.844 402 3HE MET 52 1HE MET 52 4.521 -0.996 5.377 403 H ALA 53 H ALA 53 3.304 4.854 4.756 404 HA ALA 53 HA ALA 53 4.780 6.188 5.872 405 1HB ALA 53 2HB ALA 53 7.081 4.971 4.467 406 2HB ALA 53 3HB ALA 53 5.990 3.884 5.328 407 3HB ALA 53 1HB ALA 53 6.791 5.196 6.192 408 H LYS 54 H LYS 54 7.252 7.207 5.261 409 HA LYS 54 HA LYS 54 6.596 9.494 3.760 410 1HB LYS 54 2HB LYS 54 8.749 8.613 5.389 411 2HB LYS 54 1HB LYS 54 9.433 9.171 3.870 412 1HG LYS 54 2HG LYS 54 7.408 10.887 5.195 413 2HG LYS 54 1HG LYS 54 9.020 10.798 5.904 414 1HD LYS 54 2HD LYS 54 10.040 11.667 3.982 415 2HD LYS 54 1HD LYS 54 8.624 11.342 2.979 416 1HE LYS 54 2HE LYS 54 8.927 13.446 5.110 417 2HE LYS 54 1HE LYS 54 8.703 13.691 3.378 418 1HZ LYS 54 1HZ LYS 54 6.553 12.192 4.114 419 2HZ LYS 54 3HZ LYS 54 6.748 13.251 5.420 420 3HZ LYS 54 2HZ LYS 54 6.553 13.864 3.856 421 H GLY 55 H GLY 55 7.347 6.423 2.673 422 1HA GLY 55 1HA GLY 55 8.839 7.192 0.324 423 2HA GLY 55 2HA GLY 55 7.142 6.852 0.009 424 H ARG 56 H ARG 56 7.366 4.873 2.369 425 HA ARG 56 HA ARG 56 8.967 2.775 1.132 426 1HB ARG 56 2HB ARG 56 7.856 3.291 3.812 427 2HB ARG 56 1HB ARG 56 7.833 1.605 3.312 428 1HG ARG 56 2HG ARG 56 10.007 1.391 3.686 429 2HG ARG 56 1HG ARG 56 10.376 2.818 2.714 430 1HD ARG 56 2HD ARG 56 11.114 2.988 5.086 431 2HD ARG 56 1HD ARG 56 10.013 4.268 4.580 432 HE ARG 56 HE ARG 56 8.248 2.770 5.682 433 1HH1 ARG 56 1HH1 ARG 56 11.552 3.064 6.747 434 2HH1 ARG 56 2HH1 ARG 56 11.187 2.703 8.402 435 1HH2 ARG 56 2HH2 ARG 56 7.756 2.294 7.858 436 2HH2 ARG 56 1HH2 ARG 56 9.029 2.265 9.033 437 H VAL 57 H VAL 57 8.152 1.036 0.107 438 HA VAL 57 HA VAL 57 5.235 0.658 0.129 439 HB VAL 57 HB VAL 57 5.373 1.558 -1.971 440 1HG1 VAL 57 2HG1 VAL 57 8.200 0.721 -1.820 441 2HG1 VAL 57 1HG1 VAL 57 7.494 0.817 -3.433 442 3HG1 VAL 57 3HG1 VAL 57 7.487 2.234 -2.382 443 1HG2 VAL 57 2HG2 VAL 57 5.512 -1.333 -1.970 444 2HG2 VAL 57 1HG2 VAL 57 4.494 -0.252 -2.922 445 3HG2 VAL 57 3HG2 VAL 57 6.118 -0.651 -3.479 446 H GLY 58 H GLY 58 4.870 -1.248 1.050 447 1HA GLY 58 2HA GLY 58 5.832 -3.311 1.955 448 2HA GLY 58 1HA GLY 58 6.725 -3.467 0.449 449 H TYR 59 H TYR 59 5.360 -5.625 1.203 450 HA TYR 59 HA TYR 59 2.912 -5.574 -0.436 451 1HB TYR 59 2HB TYR 59 4.402 -8.126 -0.255 452 2HB TYR 59 1HB TYR 59 3.540 -7.416 -1.618 453 HD1 TYR 59 HD1 TYR 59 4.764 -5.014 -2.311 454 HD2 TYR 59 HD2 TYR 59 6.633 -8.468 -0.673 455 HE1 TYR 59 HE1 TYR 59 6.903 -4.321 -3.306 456 HE2 TYR 59 HE2 TYR 59 8.777 -7.784 -1.662 457 HH TYR 59 HH TYR 59 9.679 -5.137 -2.453 458 HA PRO 60 HA PRO 60 1.759 -6.908 3.855 459 1HB PRO 60 2HB PRO 60 -0.822 -5.817 2.914 460 2HB PRO 60 1HB PRO 60 0.059 -5.489 4.406 461 1HG PRO 60 2HG PRO 60 -0.081 -3.686 2.426 462 2HG PRO 60 1HG PRO 60 1.364 -3.856 3.435 463 1HD PRO 60 2HD PRO 60 0.877 -4.795 0.646 464 2HD PRO 60 1HD PRO 60 2.360 -4.156 1.380 465 H ILE 61 H ILE 61 1.190 -8.965 4.145 466 HA ILE 61 HA ILE 61 -0.851 -10.138 2.378 467 HB ILE 61 HB ILE 61 1.621 -11.598 3.314 468 1HG1 ILE 61 1HG1 ILE 61 2.113 -9.824 1.632 469 2HG1 ILE 61 2HG1 ILE 61 2.436 -11.450 1.041 470 1HG2 ILE 61 3HG2 ILE 61 -0.422 -12.962 2.975 471 2HG2 ILE 61 2HG2 ILE 61 -0.466 -12.413 1.299 472 3HG2 ILE 61 1HG2 ILE 61 0.893 -13.380 1.876 473 1HD1 ILE 61 3HD1 ILE 61 -0.044 -11.202 0.140 474 2HD1 ILE 61 2HD1 ILE 61 0.393 -9.493 0.190 475 3HD1 ILE 61 1HD1 ILE 61 1.356 -10.623 -0.764 476 H VAL 62 H VAL 62 -2.392 -11.302 3.380 477 HA VAL 62 HA VAL 62 -2.163 -11.608 6.290 478 HB VAL 62 HB VAL 62 -4.172 -10.474 4.882 479 1HG1 VAL 62 2HG1 VAL 62 -4.747 -12.637 3.827 480 2HG1 VAL 62 1HG1 VAL 62 -5.119 -13.284 5.424 481 3HG1 VAL 62 3HG1 VAL 62 -6.071 -11.951 4.769 482 1HG2 VAL 62 3HG2 VAL 62 -3.813 -11.553 7.558 483 2HG2 VAL 62 2HG2 VAL 62 -4.506 -10.016 7.040 484 3HG2 VAL 62 1HG2 VAL 62 -5.508 -11.467 7.075 485 H LYS 63 H LYS 63 -2.922 -13.374 3.335 486 HA LYS 63 HA LYS 63 -2.607 -15.882 4.846 487 1HB LYS 63 2HB LYS 63 -4.180 -16.881 3.095 488 2HB LYS 63 1HB LYS 63 -4.901 -15.859 4.330 489 1HG LYS 63 2HG LYS 63 -5.333 -14.143 2.852 490 2HG LYS 63 1HG LYS 63 -4.096 -14.676 1.711 491 1HD LYS 63 2HD LYS 63 -5.506 -16.062 0.653 492 2HD LYS 63 1HD LYS 63 -6.205 -16.648 2.162 493 1HE LYS 63 2HE LYS 63 -7.999 -15.378 1.868 494 2HE LYS 63 1HE LYS 63 -6.996 -13.935 1.752 495 1HZ LYS 63 2HZ LYS 63 -6.715 -15.212 -0.664 496 2HZ LYS 63 1HZ LYS 63 -8.363 -15.338 -0.305 497 3HZ LYS 63 3HZ LYS 63 -7.622 -13.818 -0.356 498 HA PRO 64 HA PRO 64 0.980 -16.056 2.098 499 1HB PRO 64 2HB PRO 64 0.842 -18.821 3.213 500 2HB PRO 64 1HB PRO 64 2.233 -17.749 3.040 501 1HG PRO 64 2HG PRO 64 1.061 -18.112 5.408 502 2HG PRO 64 1HG PRO 64 1.696 -16.529 4.929 503 1HD PRO 64 1HD PRO 64 -1.117 -17.459 5.123 504 2HD PRO 64 2HD PRO 64 -0.446 -15.829 5.327 505 H GLY 65 H GLY 65 0.937 -16.491 -0.012 506 1HA GLY 65 2HA GLY 65 -0.547 -17.145 -1.856 507 2HA GLY 65 1HA GLY 65 -0.886 -18.615 -0.954 508 HA PRO 66 HA PRO 66 2.254 -20.582 -3.348 509 1HB PRO 66 2HB PRO 66 1.620 -20.371 -5.974 510 2HB PRO 66 1HB PRO 66 0.707 -21.380 -4.848 511 1HG PRO 66 2HG PRO 66 0.085 -18.633 -5.865 512 2HG PRO 66 1HG PRO 66 -1.000 -20.020 -5.654 513 1HD PRO 66 2HD PRO 66 -0.866 -17.977 -3.874 514 2HD PRO 66 1HD PRO 66 -1.244 -19.644 -3.394 515 H ASN 67 H ASN 67 1.803 -18.401 -6.046 516 HA ASN 67 HA ASN 67 4.602 -17.695 -5.974 517 1HB ASN 67 2HB ASN 67 3.743 -16.272 -8.043 518 2HB ASN 67 1HB ASN 67 3.994 -18.010 -8.164 519 1HD2 ASN 67 2HD2 ASN 67 1.408 -15.962 -6.852 520 2HD2 ASN 67 1HD2 ASN 67 0.132 -16.712 -7.744 521 H CYS 68 H CYS 68 2.276 -16.614 -4.138 522 HA CYS 68 HA CYS 68 2.509 -13.763 -4.561 523 1HB CYS 68 2HB CYS 68 0.778 -15.532 -3.070 524 2HB CYS 68 1HB CYS 68 1.360 -14.229 -2.039 525 H GLY 69 H GLY 69 4.879 -15.482 -3.856 526 1HA GLY 69 1HA GLY 69 5.752 -13.889 -1.527 527 2HA GLY 69 2HA GLY 69 6.815 -14.407 -2.830 528 H PHE 70 H PHE 70 5.815 -17.089 -3.002 529 HA PHE 70 HA PHE 70 5.957 -19.149 -2.015 530 1HB PHE 70 2HB PHE 70 8.334 -18.467 -2.430 531 2HB PHE 70 1HB PHE 70 8.415 -17.918 -0.761 532 HD1 PHE 70 HD1 PHE 70 7.273 -20.980 -2.574 533 HD2 PHE 70 HD2 PHE 70 9.487 -19.339 0.670 534 HE1 PHE 70 HE1 PHE 70 7.909 -23.249 -1.864 535 HE2 PHE 70 HE2 PHE 70 10.126 -21.605 1.386 536 HZ PHE 70 HZ PHE 70 9.337 -23.564 0.117 537 H GLY 71 H GLY 71 4.173 -17.582 -0.626 538 1HA GLY 71 1HA GLY 71 4.114 -18.893 1.897 539 2HA GLY 71 2HA GLY 71 3.004 -17.638 1.356 540 H LYS 72 H LYS 72 3.953 -15.378 1.356 541 HA LYS 72 HA LYS 72 6.054 -14.942 3.313 542 1HB LYS 72 2HB LYS 72 4.665 -13.304 1.271 543 2HB LYS 72 1HB LYS 72 5.231 -12.451 2.701 544 1HG LYS 72 2HG LYS 72 7.450 -12.865 2.239 545 2HG LYS 72 1HG LYS 72 7.086 -14.277 1.245 546 1HD LYS 72 2HD LYS 72 6.407 -12.963 -0.575 547 2HD LYS 72 1HD LYS 72 6.244 -11.516 0.422 548 1HE LYS 72 2HE LYS 72 8.316 -10.932 -0.109 549 2HE LYS 72 1HE LYS 72 8.916 -12.400 0.662 550 1HZ LYS 72 1HZ LYS 72 7.830 -12.823 -1.971 551 2HZ LYS 72 3HZ LYS 72 9.183 -11.806 -1.953 552 3HZ LYS 72 2HZ LYS 72 9.285 -13.364 -1.302 553 H THR 73 H THR 73 5.784 -13.555 5.154 554 HA THR 73 HA THR 73 3.020 -13.485 6.174 555 HB THR 73 HB THR 73 4.525 -13.528 8.445 556 HG1 THR 73 HG1 THR 73 6.300 -14.145 6.808 557 1HG2 THR 73 1HG2 THR 73 3.237 -15.769 6.902 558 2HG2 THR 73 3HG2 THR 73 3.888 -15.987 8.526 559 3HG2 THR 73 2HG2 THR 73 2.571 -14.848 8.250 560 H GLY 74 H GLY 74 2.304 -11.581 6.926 561 1HA GLY 74 2HA GLY 74 3.994 -9.596 8.074 562 2HA GLY 74 1HA GLY 74 2.298 -9.397 7.653 563 H ILE 75 H ILE 75 3.197 -7.209 7.091 564 HA ILE 75 HA ILE 75 3.283 -6.898 4.306 565 HB ILE 75 HB ILE 75 4.263 -4.875 6.310 566 1HG1 ILE 75 2HG1 ILE 75 1.742 -4.134 6.005 567 2HG1 ILE 75 1HG1 ILE 75 1.509 -5.846 5.688 568 1HG2 ILE 75 2HG2 ILE 75 4.066 -4.822 3.530 569 2HG2 ILE 75 1HG2 ILE 75 2.693 -3.880 4.114 570 3HG2 ILE 75 3HG2 ILE 75 4.331 -3.454 4.611 571 1HD1 ILE 75 2HD1 ILE 75 3.075 -5.204 8.087 572 2HD1 ILE 75 1HD1 ILE 75 1.375 -4.731 8.126 573 3HD1 ILE 75 3HD1 ILE 75 1.818 -6.414 7.834 574 H ILE 76 H ILE 76 4.907 -7.698 3.120 575 HA ILE 76 HA ILE 76 7.614 -7.809 4.032 576 HB ILE 76 HB ILE 76 6.808 -8.079 1.153 577 1HG1 ILE 76 1HG1 ILE 76 5.174 -9.403 2.330 578 2HG1 ILE 76 2HG1 ILE 76 6.369 -10.495 1.637 579 1HG2 ILE 76 1HG2 ILE 76 9.174 -8.511 2.667 580 2HG2 ILE 76 3HG2 ILE 76 8.614 -10.066 2.048 581 3HG2 ILE 76 2HG2 ILE 76 8.914 -8.731 0.935 582 1HD1 ILE 76 3HD1 ILE 76 6.822 -9.592 4.414 583 2HD1 ILE 76 2HD1 ILE 76 5.495 -10.719 4.128 584 3HD1 ILE 76 1HD1 ILE 76 7.139 -11.154 3.658 585 H ASP 77 H ASP 77 7.993 -5.577 4.542 586 HA ASP 77 HA ASP 77 8.271 -3.802 2.219 587 1HB ASP 77 2HB ASP 77 7.010 -3.201 4.462 588 2HB ASP 77 1HB ASP 77 8.637 -2.839 5.026 589 H TYR 78 H TYR 78 10.221 -3.557 1.371 590 HA TYR 78 HA TYR 78 12.564 -4.451 2.818 591 1HB TYR 78 2HB TYR 78 12.145 -3.475 -0.010 592 2HB TYR 78 1HB TYR 78 13.707 -3.957 0.633 593 HD1 TYR 78 HD1 TYR 78 10.231 -5.321 0.459 594 HD2 TYR 78 HD2 TYR 78 14.402 -6.100 0.147 595 HE1 TYR 78 HE1 TYR 78 9.743 -7.657 -0.131 596 HE2 TYR 78 HE2 TYR 78 13.927 -8.439 -0.445 597 HH TYR 78 HH TYR 78 11.236 -9.544 -1.565 598 H GLY 79 H GLY 79 11.161 -1.461 1.612 599 1HA GLY 79 2HA GLY 79 13.429 0.027 2.782 600 2HA GLY 79 1HA GLY 79 11.762 0.465 3.150 601 H ILE 80 H ILE 80 12.671 2.563 2.262 602 HA ILE 80 HA ILE 80 11.562 3.064 -0.265 603 HB ILE 80 HB ILE 80 13.656 4.774 1.072 604 1HG1 ILE 80 1HG1 ILE 80 10.753 5.279 1.492 605 2HG1 ILE 80 2HG1 ILE 80 11.479 3.957 2.398 606 1HG2 ILE 80 3HG2 ILE 80 12.319 5.044 -1.344 607 2HG2 ILE 80 2HG2 ILE 80 11.457 6.115 -0.242 608 3HG2 ILE 80 1HG2 ILE 80 13.194 6.304 -0.475 609 1HD1 ILE 80 1HD1 ILE 80 13.249 6.069 2.711 610 2HD1 ILE 80 3HD1 ILE 80 11.648 6.797 2.832 611 3HD1 ILE 80 2HD1 ILE 80 12.092 5.463 3.896 612 H ARG 81 H ARG 81 12.299 2.419 -2.169 613 HA ARG 81 HA ARG 81 15.084 1.725 -2.533 614 1HB ARG 81 2HB ARG 81 12.764 1.652 -4.472 615 2HB ARG 81 1HB ARG 81 14.367 0.996 -4.779 616 1HG ARG 81 2HG ARG 81 13.089 0.009 -2.331 617 2HG ARG 81 1HG ARG 81 12.268 -0.429 -3.831 618 1HD ARG 81 2HD ARG 81 14.824 -0.945 -4.513 619 2HD ARG 81 1HD ARG 81 14.892 -1.276 -2.783 620 HE ARG 81 HE ARG 81 13.147 -2.926 -3.117 621 1HH1 ARG 81 1HH1 ARG 81 14.749 -1.738 -5.972 622 2HH1 ARG 81 2HH1 ARG 81 14.336 -3.116 -6.935 623 1HH2 ARG 81 1HH2 ARG 81 12.597 -4.746 -4.377 624 2HH2 ARG 81 2HH2 ARG 81 13.113 -4.828 -6.028 625 H LEU 82 H LEU 82 13.797 4.587 -2.334 626 HA LEU 82 HA LEU 82 14.249 6.665 -3.142 627 1HB LEU 82 2HB LEU 82 16.624 5.354 -3.032 628 2HB LEU 82 1HB LEU 82 16.583 5.806 -4.722 629 HG LEU 82 HG LEU 82 17.785 7.501 -3.565 630 1HD1 LEU 82 1HD1 LEU 82 16.206 8.283 -5.280 631 2HD1 LEU 82 3HD1 LEU 82 14.986 8.521 -4.028 632 3HD1 LEU 82 2HD1 LEU 82 16.467 9.480 -4.012 633 1HD2 LEU 82 3HD2 LEU 82 15.636 7.179 -1.554 634 2HD2 LEU 82 2HD2 LEU 82 17.366 7.448 -1.337 635 3HD2 LEU 82 1HD2 LEU 82 16.311 8.795 -1.762 636 H ASN 83 H ASN 83 12.369 5.326 -4.594 637 HA ASN 83 HA ASN 83 12.700 6.544 -7.205 638 1HB ASN 83 2HB ASN 83 13.062 3.728 -6.814 639 2HB ASN 83 1HB ASN 83 11.598 3.990 -7.755 640 1HD2 ASN 83 1HD2 ASN 83 12.141 6.106 -9.279 641 2HD2 ASN 83 2HD2 ASN 83 13.483 5.798 -10.321 642 H ARG 84 H ARG 84 11.047 7.874 -6.148 643 HA ARG 84 HA ARG 84 8.496 6.766 -5.505 644 1HB ARG 84 2HB ARG 84 9.635 9.509 -5.748 645 2HB ARG 84 1HB ARG 84 7.886 9.338 -5.812 646 1HG ARG 84 2HG ARG 84 7.794 9.192 -3.612 647 2HG ARG 84 1HG ARG 84 8.869 7.793 -3.634 648 1HD ARG 84 2HD ARG 84 9.922 10.595 -3.841 649 2HD ARG 84 1HD ARG 84 9.593 9.846 -2.280 650 HE ARG 84 HE ARG 84 11.313 8.370 -4.102 651 1HH1 ARG 84 2HH1 ARG 84 11.044 10.492 -1.352 652 2HH1 ARG 84 1HH1 ARG 84 12.635 10.141 -0.763 653 1HH2 ARG 84 1HH2 ARG 84 13.409 7.903 -3.333 654 2HH2 ARG 84 2HH2 ARG 84 13.979 8.670 -1.888 655 H SER 85 H SER 85 9.909 6.779 -8.358 656 HA SER 85 HA SER 85 7.546 7.627 -9.884 657 1HB SER 85 2HB SER 85 10.291 8.022 -10.326 658 2HB SER 85 1HB SER 85 9.791 6.831 -11.526 659 HG SER 85 HG SER 85 8.140 9.042 -11.146 660 H GLU 86 H GLU 86 8.472 4.960 -8.403 661 HA GLU 86 HA GLU 86 8.455 2.961 -10.400 662 1HB GLU 86 2HB GLU 86 8.032 2.987 -7.435 663 2HB GLU 86 1HB GLU 86 7.700 1.523 -8.349 664 1HG GLU 86 2HG GLU 86 10.295 2.800 -8.884 665 2HG GLU 86 1HG GLU 86 10.087 2.118 -7.272 666 H ARG 87 H ARG 87 6.601 1.109 -9.859 667 HA ARG 87 HA ARG 87 4.000 2.447 -10.072 668 1HB ARG 87 2HB ARG 87 3.427 0.713 -11.853 669 2HB ARG 87 1HB ARG 87 4.443 2.063 -12.334 670 1HG ARG 87 2HG ARG 87 5.986 0.657 -13.056 671 2HG ARG 87 1HG ARG 87 6.134 -0.024 -11.435 672 1HD ARG 87 2HD ARG 87 5.258 -1.923 -12.176 673 2HD ARG 87 1HD ARG 87 3.762 -1.066 -12.549 674 HE ARG 87 HE ARG 87 4.673 -0.665 -14.779 675 1HH1 ARG 87 1HH1 ARG 87 6.172 -3.136 -12.835 676 2HH1 ARG 87 2HH1 ARG 87 6.825 -3.990 -14.192 677 1HH2 ARG 87 1HH2 ARG 87 5.528 -1.782 -16.575 678 2HH2 ARG 87 2HH2 ARG 87 6.460 -3.220 -16.320 679 H TRP 88 H TRP 88 2.816 1.728 -8.481 680 HA TRP 88 HA TRP 88 2.387 -1.107 -8.097 681 1HB TRP 88 2HB TRP 88 3.090 0.430 -5.619 682 2HB TRP 88 1HB TRP 88 3.100 -1.308 -5.887 683 HD1 TRP 88 HD1 TRP 88 5.323 1.702 -5.935 684 HE1 TRP 88 HE1 TRP 88 7.711 1.006 -6.599 685 HE3 TRP 88 HE3 TRP 88 4.378 -3.078 -7.487 686 HZ2 TRP 88 HZ2 TRP 88 9.020 -1.266 -7.642 687 HZ3 TRP 88 HZ3 TRP 88 6.253 -4.446 -8.302 688 HH2 TRP 88 HH2 TRP 88 8.527 -3.557 -8.378 689 H ASP 89 H ASP 89 1.006 -1.015 -5.708 690 HA ASP 89 HA ASP 89 -1.382 0.396 -6.516 691 1HB ASP 89 2HB ASP 89 -1.145 -1.130 -3.948 692 2HB ASP 89 1HB ASP 89 -2.524 -0.967 -5.028 693 H ALA 90 H ALA 90 -2.620 1.137 -4.264 694 HA ALA 90 HA ALA 90 -0.804 2.864 -2.756 695 1HB ALA 90 1HB ALA 90 -1.580 4.172 -4.698 696 2HB ALA 90 3HB ALA 90 -3.244 3.936 -4.165 697 3HB ALA 90 2HB ALA 90 -2.118 4.848 -3.160 698 H TYR 91 H TYR 91 -1.235 2.569 -0.666 699 HA TYR 91 HA TYR 91 -3.820 1.538 0.164 700 1HB TYR 91 2HB TYR 91 -1.164 1.916 1.521 701 2HB TYR 91 1HB TYR 91 -2.615 1.599 2.462 702 HD1 TYR 91 HD1 TYR 91 -4.017 -0.500 1.658 703 HD2 TYR 91 HD2 TYR 91 0.107 0.129 0.823 704 HE1 TYR 91 HE1 TYR 91 -3.733 -2.911 1.267 705 HE2 TYR 91 HE2 TYR 91 0.401 -2.281 0.433 706 HH TYR 91 HH TYR 91 -1.499 -4.267 -0.334 707 H CYS 92 H CYS 92 -5.410 2.929 0.578 708 HA CYS 92 HA CYS 92 -4.760 5.654 1.398 709 1HB CYS 92 2HB CYS 92 -6.509 4.897 -0.427 710 2HB CYS 92 1HB CYS 92 -7.566 4.717 0.969 711 H TYR 93 H TYR 93 -5.983 6.674 3.141 712 HA TYR 93 HA TYR 93 -7.069 4.869 5.155 713 1HB TYR 93 2HB TYR 93 -4.628 5.073 5.627 714 2HB TYR 93 1HB TYR 93 -4.843 6.813 5.806 715 HD1 TYR 93 HD1 TYR 93 -6.580 7.578 7.582 716 HD2 TYR 93 HD2 TYR 93 -4.852 3.690 7.480 717 HE1 TYR 93 HE1 TYR 93 -7.165 7.266 9.950 718 HE2 TYR 93 HE2 TYR 93 -5.435 3.366 9.848 719 HH TYR 93 HH TYR 93 -6.539 5.944 11.842 720 H ASN 94 H ASN 94 -8.717 5.737 6.258 721 HA ASN 94 HA ASN 94 -9.009 8.605 6.518 722 1HB ASN 94 2HB ASN 94 -10.544 7.013 4.575 723 2HB ASN 94 1HB ASN 94 -11.528 8.029 5.626 724 1HD2 ASN 94 2HD2 ASN 94 -11.476 8.474 2.948 725 2HD2 ASN 94 1HD2 ASN 94 -10.647 9.951 2.609 726 HA PRO 95 HA PRO 95 -10.624 7.493 10.465 727 1HB PRO 95 2HB PRO 95 -12.569 9.696 9.953 728 2HB PRO 95 1HB PRO 95 -11.521 9.421 11.350 729 1HG PRO 95 2HG PRO 95 -10.923 11.285 9.538 730 2HG PRO 95 1HG PRO 95 -9.656 10.300 10.293 731 1HD PRO 95 1HD PRO 95 -10.807 10.135 7.550 732 2HD PRO 95 2HD PRO 95 -9.156 9.799 8.107 733 H HIS 96 H HIS 96 -12.808 8.094 7.768 734 HA HIS 96 HA HIS 96 -14.640 6.062 8.864 735 1HB HIS 96 2HB HIS 96 -15.221 8.578 7.312 736 2HB HIS 96 1HB HIS 96 -16.378 7.253 7.390 737 HD1 HIS 96 HD1 HIS 96 -15.796 6.587 10.448 738 HD2 HIS 96 HD2 HIS 96 -16.711 10.318 8.865 739 HE1 HIS 96 HE1 HIS 96 -16.746 7.914 12.362 740 HE2 HIS 96 HE2 HIS 96 -17.368 10.141 11.361 741 H ALA 97 H ALA 97 -13.003 7.339 6.042 742 HA ALA 97 HA ALA 97 -12.930 6.584 3.855 743 1HB ALA 97 1HB ALA 97 -11.079 5.410 4.373 744 2HB ALA 97 2HB ALA 97 -12.125 4.019 4.081 745 3HB ALA 97 3HB ALA 97 -11.852 4.587 5.728 746 H LYS 98 H LYS 98 -15.426 6.749 3.902 747 HA LYS 98 HA LYS 98 -16.640 4.101 3.521 748 1HB LYS 98 2HB LYS 98 -17.724 5.670 5.127 749 2HB LYS 98 1HB LYS 98 -18.011 6.781 3.794 750 1HG LYS 98 2HG LYS 98 -19.483 5.231 2.728 751 2HG LYS 98 1HG LYS 98 -19.068 3.966 3.885 752 1HD LYS 98 2HD LYS 98 -20.838 4.633 5.068 753 2HD LYS 98 1HD LYS 98 -19.907 6.076 5.472 754 1HE LYS 98 2HE LYS 98 -20.818 7.193 3.475 755 2HE LYS 98 1HE LYS 98 -21.790 5.759 3.138 756 1HZ LYS 98 1HZ LYS 98 -22.772 6.097 5.412 757 2HZ LYS 98 3HZ LYS 98 -22.028 7.617 5.432 758 3HZ LYS 98 2HZ LYS 98 -23.189 7.259 4.256 No H/Q in entry = 758 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -9.358 4.543 8.957 2 H2 GLY 1 3H GLY 1 -10.915 4.870 9.535 3 H3 GLY 1 2H GLY 1 -10.119 3.452 10.002 4 1HA GLY 1 1HA GLY 1 -11.741 3.930 7.726 5 2HA GLY 1 2HA GLY 1 -11.132 2.406 8.350 6 H VAL 2 H VAL 2 -8.895 1.838 7.783 7 HA VAL 2 HA VAL 2 -7.812 3.153 5.420 8 HB VAL 2 HB VAL 2 -6.109 2.658 6.936 9 1HG1 VAL 2 3HG1 VAL 2 -7.820 0.531 7.728 10 2HG1 VAL 2 2HG1 VAL 2 -6.215 -0.125 7.403 11 3HG1 VAL 2 1HG1 VAL 2 -6.413 1.191 8.562 12 1HG2 VAL 2 2HG2 VAL 2 -5.969 1.640 4.475 13 2HG2 VAL 2 1HG2 VAL 2 -4.653 1.508 5.641 14 3HG2 VAL 2 3HG2 VAL 2 -5.761 0.156 5.403 15 H TYR 3 H TYR 3 -7.410 2.101 3.463 16 HA TYR 3 HA TYR 3 -8.296 -0.607 3.049 17 1HB TYR 3 2HB TYR 3 -9.966 -0.036 1.303 18 2HB TYR 3 1HB TYR 3 -10.453 0.470 2.914 19 HD1 TYR 3 HD1 TYR 3 -10.038 2.938 3.543 20 HD2 TYR 3 HD2 TYR 3 -9.970 1.489 -0.456 21 HE1 TYR 3 HE1 TYR 3 -10.412 5.222 2.714 22 HE2 TYR 3 HE2 TYR 3 -10.342 3.769 -1.296 23 HH TYR 3 HH TYR 3 -10.041 6.074 -0.563 24 H HIS 4 H HIS 4 -8.310 -1.029 0.533 25 HA HIS 4 HA HIS 4 -5.728 -0.026 -0.411 26 1HB HIS 4 2HB HIS 4 -6.158 -2.491 -0.233 27 2HB HIS 4 1HB HIS 4 -7.359 -2.321 -1.507 28 HD1 HIS 4 HD1 HIS 4 -6.521 -2.616 -3.819 29 HD2 HIS 4 HD2 HIS 4 -3.468 -1.668 -1.166 30 HE1 HIS 4 HE1 HIS 4 -4.396 -2.770 -5.156 31 HE2 HIS 4 HE2 HIS 4 -2.556 -2.312 -3.497 32 H ARG 5 H ARG 5 -5.450 0.438 -2.702 33 HA ARG 5 HA ARG 5 -7.778 1.075 -4.280 34 1HB ARG 5 2HB ARG 5 -7.647 3.041 -2.843 35 2HB ARG 5 1HB ARG 5 -5.957 3.261 -3.270 36 1HG ARG 5 2HG ARG 5 -6.706 4.681 -4.812 37 2HG ARG 5 1HG ARG 5 -7.191 3.247 -5.717 38 1HD ARG 5 2HD ARG 5 -8.824 5.236 -4.320 39 2HD ARG 5 1HD ARG 5 -9.229 4.187 -5.677 40 HE ARG 5 HE ARG 5 -9.210 3.245 -2.883 41 1HH1 ARG 5 1HH1 ARG 5 -10.658 3.436 -6.046 42 2HH1 ARG 5 2HH1 ARG 5 -11.969 2.375 -5.652 43 1HH2 ARG 5 2HH2 ARG 5 -10.932 1.847 -2.355 44 2HH2 ARG 5 1HH2 ARG 5 -12.125 1.472 -3.553 45 H GLU 6 H GLU 6 -7.298 1.403 -6.463 46 HA GLU 6 HA GLU 6 -4.498 0.849 -7.194 47 1HB GLU 6 2HB GLU 6 -5.229 -0.364 -9.071 48 2HB GLU 6 1HB GLU 6 -6.292 -0.875 -7.768 49 1HG GLU 6 2HG GLU 6 -6.970 1.177 -9.862 50 2HG GLU 6 1HG GLU 6 -7.490 -0.507 -9.872 51 H ALA 7 H ALA 7 -4.577 1.398 -9.858 52 HA ALA 7 HA ALA 7 -4.890 4.318 -9.844 53 1HB ALA 7 3HB ALA 7 -2.824 4.280 -10.660 54 2HB ALA 7 2HB ALA 7 -2.876 2.529 -10.862 55 3HB ALA 7 1HB ALA 7 -3.483 3.582 -12.140 56 H ARG 8 H ARG 8 -5.699 5.389 -11.742 57 HA ARG 8 HA ARG 8 -8.091 4.288 -12.720 58 1HB ARG 8 2HB ARG 8 -6.444 6.683 -13.454 59 2HB ARG 8 1HB ARG 8 -7.823 6.232 -14.445 60 1HG ARG 8 2HG ARG 8 -8.699 7.791 -12.977 61 2HG ARG 8 1HG ARG 8 -9.150 6.248 -12.247 62 1HD ARG 8 2HD ARG 8 -7.595 6.447 -10.547 63 2HD ARG 8 1HD ARG 8 -6.596 7.580 -11.454 64 HE ARG 8 HE ARG 8 -8.015 9.320 -10.817 65 1HH1 ARG 8 1HH1 ARG 8 -9.135 6.244 -9.626 66 2HH1 ARG 8 2HH1 ARG 8 -10.241 6.942 -8.489 67 1HH2 ARG 8 1HH2 ARG 8 -9.469 10.248 -9.325 68 2HH2 ARG 8 2HH2 ARG 8 -10.431 9.217 -8.319 69 H SER 9 H SER 9 -4.860 3.871 -13.714 70 HA SER 9 HA SER 9 -5.637 2.973 -16.390 71 1HB SER 9 2HB SER 9 -3.016 2.651 -16.490 72 2HB SER 9 1HB SER 9 -3.731 4.254 -16.661 73 HG SER 9 HG SER 9 -2.865 4.829 -14.831 74 H GLY 10 H GLY 10 -4.644 1.792 -13.287 75 1HA GLY 10 2HA GLY 10 -4.233 -0.908 -14.375 76 2HA GLY 10 1HA GLY 10 -5.495 -0.658 -13.177 77 H LYS 11 H LYS 11 -4.175 -2.335 -12.067 78 HA LYS 11 HA LYS 11 -2.789 -1.255 -9.906 79 1HB LYS 11 2HB LYS 11 -3.740 -3.381 -9.593 80 2HB LYS 11 1HB LYS 11 -2.981 -4.033 -11.038 81 1HG LYS 11 2HG LYS 11 -0.812 -3.980 -9.960 82 2HG LYS 11 1HG LYS 11 -1.524 -3.249 -8.520 83 1HD LYS 11 2HD LYS 11 -1.718 -5.348 -7.767 84 2HD LYS 11 1HD LYS 11 -3.084 -5.470 -8.878 85 1HE LYS 11 2HE LYS 11 -0.229 -6.264 -9.438 86 2HE LYS 11 1HE LYS 11 -1.593 -7.353 -9.189 87 1HZ LYS 11 1HZ LYS 11 -2.555 -5.952 -11.183 88 2HZ LYS 11 3HZ LYS 11 -0.912 -5.731 -11.522 89 3HZ LYS 11 2HZ LYS 11 -1.556 -7.293 -11.442 90 H TYR 12 H TYR 12 -0.586 -1.359 -9.298 91 HA TYR 12 HA TYR 12 1.646 -1.058 -9.591 92 1HB TYR 12 2HB TYR 12 1.128 -2.956 -11.883 93 2HB TYR 12 1HB TYR 12 2.739 -2.421 -11.415 94 HD1 TYR 12 HD1 TYR 12 1.256 -2.477 -8.391 95 HD2 TYR 12 HD2 TYR 12 2.372 -5.220 -11.445 96 HE1 TYR 12 HE1 TYR 12 1.368 -4.276 -6.723 97 HE2 TYR 12 HE2 TYR 12 2.487 -7.030 -9.784 98 HH TYR 12 HH TYR 12 2.354 -6.428 -6.397 99 H LYS 13 H LYS 13 0.402 1.097 -10.306 100 HA LYS 13 HA LYS 13 1.974 2.130 -12.499 101 1HB LYS 13 2HB LYS 13 -1.019 1.902 -12.634 102 2HB LYS 13 1HB LYS 13 -0.179 3.195 -13.479 103 1HG LYS 13 2HG LYS 13 1.258 1.195 -14.410 104 2HG LYS 13 1HG LYS 13 -0.192 0.273 -14.008 105 1HD LYS 13 2HD LYS 13 -1.007 2.652 -15.322 106 2HD LYS 13 1HD LYS 13 0.291 1.925 -16.272 107 1HE LYS 13 2HE LYS 13 -1.040 -0.278 -15.916 108 2HE LYS 13 1HE LYS 13 -2.384 0.801 -15.545 109 1HZ LYS 13 3HZ LYS 13 -1.879 1.901 -17.737 110 2HZ LYS 13 2HZ LYS 13 -0.871 0.587 -18.081 111 3HZ LYS 13 1HZ LYS 13 -2.525 0.340 -17.829 112 H LEU 14 H LEU 14 0.994 2.396 -9.499 113 HA LEU 14 HA LEU 14 0.661 5.321 -9.538 114 1HB LEU 14 2HB LEU 14 -0.314 3.164 -7.733 115 2HB LEU 14 1HB LEU 14 0.006 4.740 -7.041 116 HG LEU 14 HG LEU 14 -1.734 4.531 -9.463 117 1HD1 LEU 14 3HD1 LEU 14 -2.355 2.913 -7.468 118 2HD1 LEU 14 2HD1 LEU 14 -2.994 4.406 -6.777 119 3HD1 LEU 14 1HD1 LEU 14 -3.587 3.831 -8.335 120 1HD2 LEU 14 2HD2 LEU 14 -0.972 6.534 -7.529 121 2HD2 LEU 14 1HD2 LEU 14 -1.797 6.719 -9.078 122 3HD2 LEU 14 3HD2 LEU 14 -2.725 6.362 -7.620 123 H THR 15 H THR 15 2.148 6.586 -8.638 124 HA THR 15 HA THR 15 4.441 5.298 -7.326 125 HB THR 15 HB THR 15 5.802 7.049 -8.033 126 HG1 THR 15 HG1 THR 15 4.829 9.066 -8.812 127 1HG2 THR 15 3HG2 THR 15 3.956 6.000 -9.970 128 2HG2 THR 15 2HG2 THR 15 4.428 7.640 -10.413 129 3HG2 THR 15 1HG2 THR 15 5.663 6.405 -10.162 130 H TYR 16 H TYR 16 5.209 6.069 -5.331 131 HA TYR 16 HA TYR 16 3.559 6.604 -3.312 132 1HB TYR 16 2HB TYR 16 5.899 6.341 -2.865 133 2HB TYR 16 1HB TYR 16 6.288 7.827 -3.725 134 HD1 TYR 16 HD1 TYR 16 4.481 6.539 -0.736 135 HD2 TYR 16 HD2 TYR 16 6.394 9.865 -2.585 136 HE1 TYR 16 HE1 TYR 16 4.305 7.804 1.366 137 HE2 TYR 16 HE2 TYR 16 6.225 11.135 -0.486 138 HH TYR 16 HH TYR 16 4.893 9.666 2.452 139 H ALA 17 H ALA 17 4.758 9.049 -5.556 140 HA ALA 17 HA ALA 17 3.577 11.266 -4.235 141 1HB ALA 17 2HB ALA 17 4.411 11.001 -7.120 142 2HB ALA 17 1HB ALA 17 4.090 12.507 -6.261 143 3HB ALA 17 3HB ALA 17 5.455 11.496 -5.787 144 H GLU 18 H GLU 18 2.541 9.260 -6.992 145 HA GLU 18 HA GLU 18 0.108 10.703 -7.382 146 1HB GLU 18 2HB GLU 18 0.937 7.950 -8.322 147 2HB GLU 18 1HB GLU 18 -0.462 8.844 -8.896 148 1HG GLU 18 2HG GLU 18 0.949 10.544 -9.845 149 2HG GLU 18 1HG GLU 18 2.383 9.778 -9.163 150 H ALA 19 H ALA 19 0.921 7.546 -5.980 151 HA ALA 19 HA ALA 19 -1.549 6.627 -5.251 152 1HB ALA 19 3HB ALA 19 -0.138 5.029 -4.600 153 2HB ALA 19 1HB ALA 19 0.043 5.937 -3.098 154 3HB ALA 19 2HB ALA 19 1.191 6.173 -4.416 155 H LYS 20 H LYS 20 0.486 8.962 -3.551 156 HA LYS 20 HA LYS 20 -1.255 9.229 -1.303 157 1HB LYS 20 2HB LYS 20 1.275 9.759 -1.503 158 2HB LYS 20 1HB LYS 20 0.744 11.298 -2.160 159 1HG LYS 20 2HG LYS 20 -0.681 10.711 0.263 160 2HG LYS 20 1HG LYS 20 1.061 10.607 0.528 161 1HD LYS 20 2HD LYS 20 0.289 12.910 -1.080 162 2HD LYS 20 1HD LYS 20 -0.440 12.916 0.526 163 1HE LYS 20 2HE LYS 20 1.490 13.476 1.476 164 2HE LYS 20 1HE LYS 20 2.330 12.148 0.676 165 1HZ LYS 20 2HZ LYS 20 1.967 13.959 -1.314 166 2HZ LYS 20 1HZ LYS 20 2.295 14.942 0.023 167 3HZ LYS 20 3HZ LYS 20 3.394 13.739 -0.434 168 H ALA 21 H ALA 21 -0.561 11.271 -4.128 169 HA ALA 21 HA ALA 21 -2.214 13.400 -3.621 170 1HB ALA 21 1HB ALA 21 -2.458 13.571 -6.134 171 2HB ALA 21 2HB ALA 21 -1.534 12.071 -6.230 172 3HB ALA 21 3HB ALA 21 -0.808 13.509 -5.513 173 H VAL 22 H VAL 22 -3.108 10.268 -4.984 174 HA VAL 22 HA VAL 22 -5.815 10.956 -5.515 175 HB VAL 22 HB VAL 22 -4.332 8.357 -5.348 176 1HG1 VAL 22 1HG1 VAL 22 -7.309 8.691 -5.686 177 2HG1 VAL 22 3HG1 VAL 22 -6.421 7.205 -6.018 178 3HG1 VAL 22 2HG1 VAL 22 -6.477 7.849 -4.378 179 1HG2 VAL 22 2HG2 VAL 22 -5.260 10.182 -7.427 180 2HG2 VAL 22 1HG2 VAL 22 -3.983 8.967 -7.471 181 3HG2 VAL 22 3HG2 VAL 22 -5.660 8.494 -7.742 182 H CYS 23 H CYS 23 -4.346 8.969 -2.958 183 HA CYS 23 HA CYS 23 -6.699 8.528 -1.509 184 1HB CYS 23 2HB CYS 23 -3.790 8.509 -0.726 185 2HB CYS 23 1HB CYS 23 -5.069 8.122 0.419 186 H GLU 24 H GLU 24 -4.257 11.070 -1.263 187 HA GLU 24 HA GLU 24 -5.597 12.357 0.944 188 1HB GLU 24 2HB GLU 24 -3.077 12.355 0.500 189 2HB GLU 24 1HB GLU 24 -3.407 13.542 -0.753 190 1HG GLU 24 2HG GLU 24 -3.978 15.177 0.749 191 2HG GLU 24 1HG GLU 24 -4.434 14.021 2.000 192 H PHE 25 H PHE 25 -6.029 12.262 -2.373 193 HA PHE 25 HA PHE 25 -6.644 14.857 -3.115 194 1HB PHE 25 2HB PHE 25 -6.763 12.427 -4.338 195 2HB PHE 25 1HB PHE 25 -8.474 12.796 -4.160 196 HD1 PHE 25 HD1 PHE 25 -5.288 14.212 -5.431 197 HD2 PHE 25 HD2 PHE 25 -9.536 14.194 -5.671 198 HE1 PHE 25 HE1 PHE 25 -5.174 15.658 -7.417 199 HE2 PHE 25 HE2 PHE 25 -9.432 15.642 -7.660 200 HZ PHE 25 HZ PHE 25 -7.249 16.376 -8.535 201 H GLU 26 H GLU 26 -8.814 12.398 -1.763 202 HA GLU 26 HA GLU 26 -10.859 14.444 -1.347 203 1HB GLU 26 2HB GLU 26 -11.082 11.476 -0.857 204 2HB GLU 26 1HB GLU 26 -12.396 12.640 -0.976 205 1HG GLU 26 2HG GLU 26 -11.868 13.015 -3.319 206 2HG GLU 26 1HG GLU 26 -10.531 11.872 -3.207 207 H GLY 27 H GLY 27 -9.099 15.208 0.279 208 1HA GLY 27 1HA GLY 27 -10.123 15.191 2.812 209 2HA GLY 27 2HA GLY 27 -8.429 15.507 2.462 210 H GLY 28 H GLY 28 -8.000 12.800 1.384 211 1HA GLY 28 2HA GLY 28 -8.133 10.535 2.280 212 2HA GLY 28 1HA GLY 28 -8.218 11.245 3.888 213 H HIS 29 H HIS 29 -6.375 9.307 3.475 214 HA HIS 29 HA HIS 29 -3.835 10.489 2.749 215 1HB HIS 29 2HB HIS 29 -3.415 9.394 5.350 216 2HB HIS 29 1HB HIS 29 -3.138 11.044 4.798 217 HD1 HIS 29 HD1 HIS 29 -5.047 12.773 5.239 218 HD2 HIS 29 HD2 HIS 29 -5.685 9.020 6.901 219 HE1 HIS 29 HE1 HIS 29 -6.926 13.077 6.882 220 HE2 HIS 29 HE2 HIS 29 -7.248 10.806 7.927 221 H LEU 30 H LEU 30 -2.418 8.955 2.064 222 HA LEU 30 HA LEU 30 -3.365 6.308 1.737 223 1HB LEU 30 2HB LEU 30 -1.786 6.226 0.190 224 2HB LEU 30 1HB LEU 30 -1.339 7.864 0.625 225 HG LEU 30 HG LEU 30 0.052 6.447 2.478 226 1HD1 LEU 30 1HD1 LEU 30 -0.801 4.518 0.626 227 2HD1 LEU 30 3HD1 LEU 30 0.909 4.801 0.302 228 3HD1 LEU 30 2HD1 LEU 30 0.383 4.329 1.918 229 1HD2 LEU 30 2HD2 LEU 30 0.643 7.682 -0.127 230 2HD2 LEU 30 1HD2 LEU 30 1.366 7.965 1.456 231 3HD2 LEU 30 3HD2 LEU 30 1.876 6.580 0.489 232 H ALA 31 H ALA 31 -3.262 4.641 3.039 233 HA ALA 31 HA ALA 31 -2.528 4.748 5.677 234 1HB ALA 31 3HB ALA 31 -3.104 2.573 3.775 235 2HB ALA 31 2HB ALA 31 -2.243 2.112 5.245 236 3HB ALA 31 1HB ALA 31 -3.808 2.923 5.355 237 H THR 32 H THR 32 -0.837 3.480 6.822 238 HA THR 32 HA THR 32 1.755 3.786 5.453 239 HB THR 32 HB THR 32 2.778 4.301 7.496 240 HG1 THR 32 HG1 THR 32 2.103 3.501 9.354 241 1HG2 THR 32 1HG2 THR 32 0.654 5.820 6.634 242 2HG2 THR 32 3HG2 THR 32 0.320 5.619 8.354 243 3HG2 THR 32 2HG2 THR 32 1.853 6.314 7.830 244 H TYR 33 H TYR 33 3.230 2.440 7.459 245 HA TYR 33 HA TYR 33 2.866 -0.282 6.583 246 1HB TYR 33 2HB TYR 33 5.125 0.390 6.739 247 2HB TYR 33 1HB TYR 33 4.887 1.112 8.324 248 HD1 TYR 33 HD1 TYR 33 4.662 -2.229 6.659 249 HD2 TYR 33 HD2 TYR 33 5.656 -0.037 10.168 250 HE1 TYR 33 HE1 TYR 33 5.454 -4.299 7.720 251 HE2 TYR 33 HE2 TYR 33 6.452 -2.102 11.239 252 HH TYR 33 HH TYR 33 5.816 -4.759 10.812 253 H LYS 34 H LYS 34 3.491 0.921 9.847 254 HA LYS 34 HA LYS 34 2.473 -1.175 11.272 255 1HB LYS 34 2HB LYS 34 2.109 1.687 12.145 256 2HB LYS 34 1HB LYS 34 2.330 0.272 13.162 257 1HG LYS 34 2HG LYS 34 4.621 0.066 12.476 258 2HG LYS 34 1HG LYS 34 4.423 1.361 11.293 259 1HD LYS 34 2HD LYS 34 4.077 2.978 13.032 260 2HD LYS 34 1HD LYS 34 4.050 1.714 14.263 261 1HE LYS 34 2HE LYS 34 6.288 1.581 14.352 262 2HE LYS 34 1HE LYS 34 6.461 1.726 12.603 263 1HZ LYS 34 2HZ LYS 34 5.629 4.127 14.015 264 2HZ LYS 34 1HZ LYS 34 7.216 3.617 14.295 265 3HZ LYS 34 3HZ LYS 34 6.699 3.949 12.718 266 H GLN 35 H GLN 35 0.705 1.505 9.820 267 HA GLN 35 HA GLN 35 -1.786 0.961 11.040 268 1HB GLN 35 2HB GLN 35 -1.088 2.360 8.453 269 2HB GLN 35 1HB GLN 35 -2.703 2.317 9.140 270 1HG GLN 35 2HG GLN 35 -1.891 3.469 11.133 271 2HG GLN 35 1HG GLN 35 -0.270 3.515 10.442 272 1HE2 GLN 35 1HE2 GLN 35 -1.378 5.835 11.198 273 2HE2 GLN 35 2HE2 GLN 35 -1.833 6.778 9.825 274 H LEU 36 H LEU 36 -0.536 0.176 7.795 275 HA LEU 36 HA LEU 36 -2.708 -1.331 6.921 276 1HB LEU 36 2HB LEU 36 -0.208 -0.670 5.925 277 2HB LEU 36 1HB LEU 36 -0.144 -2.415 6.056 278 HG LEU 36 HG LEU 36 -0.900 -1.439 3.827 279 1HD1 LEU 36 1HD1 LEU 36 -1.517 -3.779 5.115 280 2HD1 LEU 36 3HD1 LEU 36 -3.099 -3.183 4.613 281 3HD1 LEU 36 2HD1 LEU 36 -1.828 -3.428 3.415 282 1HD2 LEU 36 2HD2 LEU 36 -2.662 -0.037 5.428 283 2HD2 LEU 36 1HD2 LEU 36 -2.734 -0.187 3.673 284 3HD2 LEU 36 3HD2 LEU 36 -3.663 -1.287 4.691 285 H GLU 37 H GLU 37 -0.241 -2.040 9.210 286 HA GLU 37 HA GLU 37 -0.429 -4.874 9.179 287 1HB GLU 37 2HB GLU 37 1.472 -3.591 10.159 288 2HB GLU 37 1HB GLU 37 0.406 -3.073 11.457 289 1HG GLU 37 2HG GLU 37 0.038 -5.659 11.735 290 2HG GLU 37 1HG GLU 37 1.608 -5.737 10.936 291 H ALA 38 H ALA 38 -1.582 -2.537 11.591 292 HA ALA 38 HA ALA 38 -3.218 -4.309 12.982 293 1HB ALA 38 1HB ALA 38 -2.476 -2.103 13.827 294 2HB ALA 38 2HB ALA 38 -4.208 -2.373 14.021 295 3HB ALA 38 3HB ALA 38 -3.616 -1.333 12.724 296 H ALA 39 H ALA 39 -3.591 -3.059 9.888 297 HA ALA 39 HA ALA 39 -6.512 -3.264 9.904 298 1HB ALA 39 2HB ALA 39 -4.669 -2.483 7.646 299 2HB ALA 39 1HB ALA 39 -6.427 -2.332 7.674 300 3HB ALA 39 3HB ALA 39 -5.439 -1.348 8.755 301 H ARG 40 H ARG 40 -3.642 -4.862 8.828 302 HA ARG 40 HA ARG 40 -4.891 -6.700 7.041 303 1HB ARG 40 2HB ARG 40 -2.575 -6.250 6.726 304 2HB ARG 40 1HB ARG 40 -2.214 -6.585 8.414 305 1HG ARG 40 2HG ARG 40 -3.282 -8.957 7.577 306 2HG ARG 40 1HG ARG 40 -2.424 -8.404 6.138 307 1HD ARG 40 2HD ARG 40 -0.482 -8.992 7.032 308 2HD ARG 40 1HD ARG 40 -0.781 -7.952 8.423 309 HE ARG 40 HE ARG 40 -2.154 -10.464 8.576 310 1HH1 ARG 40 2HH1 ARG 40 0.859 -8.825 9.173 311 2HH1 ARG 40 1HH1 ARG 40 1.373 -9.940 10.395 312 1HH2 ARG 40 2HH2 ARG 40 -1.488 -11.939 10.184 313 2HH2 ARG 40 1HH2 ARG 40 0.039 -11.710 10.969 314 H LYS 41 H LYS 41 -4.082 -6.622 10.443 315 HA LYS 41 HA LYS 41 -4.529 -9.372 10.950 316 1HB LYS 41 2HB LYS 41 -4.794 -7.158 12.974 317 2HB LYS 41 1HB LYS 41 -4.343 -8.834 13.258 318 1HG LYS 41 2HG LYS 41 -2.330 -8.267 11.709 319 2HG LYS 41 1HG LYS 41 -2.720 -6.601 12.140 320 1HD LYS 41 2HD LYS 41 -2.738 -8.251 14.489 321 2HD LYS 41 1HD LYS 41 -1.213 -8.451 13.623 322 1HE LYS 41 2HE LYS 41 -1.159 -5.896 13.507 323 2HE LYS 41 1HE LYS 41 -2.421 -5.939 14.736 324 1HZ LYS 41 1HZ LYS 41 -0.872 -7.332 16.085 325 2HZ LYS 41 3HZ LYS 41 0.341 -6.994 14.954 326 3HZ LYS 41 2HZ LYS 41 -0.359 -5.739 15.847 327 H ILE 42 H ILE 42 -6.650 -6.759 10.391 328 HA ILE 42 HA ILE 42 -8.864 -7.933 11.862 329 HB ILE 42 HB ILE 42 -10.120 -6.023 11.279 330 1HG1 ILE 42 2HG1 ILE 42 -8.212 -4.717 9.488 331 2HG1 ILE 42 1HG1 ILE 42 -8.849 -6.221 8.833 332 1HG2 ILE 42 1HG2 ILE 42 -7.232 -5.336 11.756 333 2HG2 ILE 42 3HG2 ILE 42 -8.510 -4.119 11.756 334 3HG2 ILE 42 2HG2 ILE 42 -8.544 -5.433 12.931 335 1HD1 ILE 42 3HD1 ILE 42 -10.535 -3.947 9.851 336 2HD1 ILE 42 2HD1 ILE 42 -10.141 -4.240 8.157 337 3HD1 ILE 42 1HD1 ILE 42 -11.104 -5.414 9.054 338 H GLY 43 H GLY 43 -7.475 -8.114 8.753 339 1HA GLY 43 1HA GLY 43 -9.967 -9.190 7.604 340 2HA GLY 43 2HA GLY 43 -8.489 -10.141 7.561 341 H PHE 44 H PHE 44 -7.214 -7.258 7.255 342 HA PHE 44 HA PHE 44 -7.950 -6.624 4.533 343 1HB PHE 44 2HB PHE 44 -7.221 -4.981 6.399 344 2HB PHE 44 1HB PHE 44 -5.583 -5.474 5.984 345 HD1 PHE 44 HD1 PHE 44 -7.390 -5.706 3.047 346 HD2 PHE 44 HD2 PHE 44 -5.754 -2.805 5.697 347 HE1 PHE 44 HE1 PHE 44 -7.361 -4.058 1.220 348 HE2 PHE 44 HE2 PHE 44 -5.723 -1.153 3.875 349 HZ PHE 44 HZ PHE 44 -6.527 -1.778 1.633 350 H HIS 45 H HIS 45 -7.060 -7.459 2.770 351 HA HIS 45 HA HIS 45 -4.280 -8.320 2.778 352 1HB HIS 45 2HB HIS 45 -5.531 -10.327 3.469 353 2HB HIS 45 1HB HIS 45 -6.537 -10.194 2.033 354 HD1 HIS 45 HD1 HIS 45 -4.528 -12.583 2.881 355 HD2 HIS 45 HD2 HIS 45 -3.946 -9.714 -0.067 356 HE1 HIS 45 HE1 HIS 45 -2.880 -13.594 1.273 357 HE2 HIS 45 HE2 HIS 45 -2.483 -11.810 -0.458 358 H VAL 46 H VAL 46 -3.328 -7.698 0.947 359 HA VAL 46 HA VAL 46 -4.842 -7.642 -1.544 360 HB VAL 46 HB VAL 46 -3.265 -5.226 -1.383 361 1HG1 VAL 46 2HG1 VAL 46 -5.882 -6.152 -2.306 362 2HG1 VAL 46 1HG1 VAL 46 -5.862 -4.478 -1.749 363 3HG1 VAL 46 3HG1 VAL 46 -4.766 -4.994 -3.030 364 1HG2 VAL 46 3HG2 VAL 46 -3.822 -5.323 1.006 365 2HG2 VAL 46 2HG2 VAL 46 -4.635 -3.982 0.196 366 3HG2 VAL 46 1HG2 VAL 46 -5.533 -5.448 0.593 367 H CYS 47 H CYS 47 -3.572 -9.105 -2.559 368 HA CYS 47 HA CYS 47 -0.755 -9.241 -2.324 369 1HB CYS 47 2HB CYS 47 -2.425 -11.050 -3.116 370 2HB CYS 47 1HB CYS 47 -2.286 -10.284 -4.695 371 H ALA 48 H ALA 48 -0.159 -7.016 -2.667 372 HA ALA 48 HA ALA 48 0.934 -6.485 -5.161 373 1HB ALA 48 2HB ALA 48 -1.447 -6.248 -5.850 374 2HB ALA 48 3HB ALA 48 -0.477 -4.798 -6.116 375 3HB ALA 48 1HB ALA 48 -1.584 -4.882 -4.744 376 H ALA 49 H ALA 49 2.552 -5.129 -4.775 377 HA ALA 49 HA ALA 49 3.186 -4.006 -2.378 378 1HB ALA 49 2HB ALA 49 5.023 -3.473 -3.499 379 2HB ALA 49 1HB ALA 49 4.209 -3.893 -5.005 380 3HB ALA 49 3HB ALA 49 4.146 -2.237 -4.402 381 H GLY 50 H GLY 50 2.071 -2.642 -1.146 382 1HA GLY 50 2HA GLY 50 0.139 -1.170 -0.929 383 2HA GLY 50 1HA GLY 50 0.590 -0.458 -2.471 384 H TRP 51 H TRP 51 1.574 1.429 -2.376 385 HA TRP 51 HA TRP 51 3.763 2.136 -0.891 386 1HB TRP 51 2HB TRP 51 1.546 3.757 -2.097 387 2HB TRP 51 1HB TRP 51 2.828 4.546 -1.184 388 HD1 TRP 51 HD1 TRP 51 2.039 3.205 -4.565 389 HE1 TRP 51 HE1 TRP 51 4.127 3.346 -6.077 390 HE3 TRP 51 HE3 TRP 51 5.547 4.285 -1.009 391 HZ2 TRP 51 HZ2 TRP 51 6.893 3.847 -5.789 392 HZ3 TRP 51 HZ3 TRP 51 7.886 4.580 -1.704 393 HH2 TRP 51 HH2 TRP 51 8.545 4.364 -4.046 394 H MET 52 H MET 52 3.879 3.911 0.773 395 HA MET 52 HA MET 52 1.728 4.175 2.641 396 1HB MET 52 2HB MET 52 3.563 3.234 4.439 397 2HB MET 52 1HB MET 52 2.186 2.325 3.835 398 1HG MET 52 2HG MET 52 4.114 1.904 1.916 399 2HG MET 52 1HG MET 52 5.025 1.901 3.425 400 1HE MET 52 2HE MET 52 5.155 -0.022 5.017 401 2HE MET 52 1HE MET 52 4.753 -1.623 4.398 402 3HE MET 52 3HE MET 52 5.785 -0.548 3.456 403 H ALA 53 H ALA 53 2.619 5.327 4.706 404 HA ALA 53 HA ALA 53 3.667 7.769 3.975 405 1HB ALA 53 1HB ALA 53 3.970 8.223 6.322 406 2HB ALA 53 2HB ALA 53 3.934 6.499 6.696 407 3HB ALA 53 3HB ALA 53 2.483 7.302 6.094 408 H LYS 54 H LYS 54 5.716 8.769 4.812 409 HA LYS 54 HA LYS 54 7.987 8.885 5.013 410 1HB LYS 54 2HB LYS 54 7.856 5.870 5.067 411 2HB LYS 54 1HB LYS 54 9.314 6.814 5.332 412 1HG LYS 54 2HG LYS 54 6.938 7.366 7.031 413 2HG LYS 54 1HG LYS 54 7.882 5.908 7.336 414 1HD LYS 54 2HD LYS 54 9.297 8.516 7.030 415 2HD LYS 54 1HD LYS 54 8.470 8.159 8.548 416 1HE LYS 54 2HE LYS 54 9.865 5.835 7.968 417 2HE LYS 54 1HE LYS 54 10.973 7.130 7.511 418 1HZ LYS 54 3HZ LYS 54 9.648 7.518 10.048 419 2HZ LYS 54 2HZ LYS 54 10.684 6.183 10.003 420 3HZ LYS 54 1HZ LYS 54 11.275 7.723 9.632 421 H GLY 55 H GLY 55 6.579 6.724 2.645 422 1HA GLY 55 1HA GLY 55 8.607 7.661 0.718 423 2HA GLY 55 2HA GLY 55 6.954 7.223 0.301 424 H ARG 56 H ARG 56 7.282 4.896 2.256 425 HA ARG 56 HA ARG 56 8.944 3.171 0.550 426 1HB ARG 56 2HB ARG 56 9.274 1.742 2.415 427 2HB ARG 56 1HB ARG 56 9.501 3.380 3.011 428 1HG ARG 56 2HG ARG 56 6.779 2.797 3.357 429 2HG ARG 56 1HG ARG 56 7.668 1.369 3.891 430 1HD ARG 56 2HD ARG 56 8.604 4.062 4.758 431 2HD ARG 56 1HD ARG 56 7.187 3.362 5.537 432 HE ARG 56 HE ARG 56 9.721 1.876 5.420 433 1HH1 ARG 56 2HH1 ARG 56 7.129 3.337 7.230 434 2HH1 ARG 56 1HH1 ARG 56 7.622 2.649 8.740 435 1HH2 ARG 56 2HH2 ARG 56 10.380 0.963 7.404 436 2HH2 ARG 56 1HH2 ARG 56 9.471 1.298 8.840 437 H VAL 57 H VAL 57 8.156 1.024 0.088 438 HA VAL 57 HA VAL 57 5.257 0.680 0.342 439 HB VAL 57 HB VAL 57 5.176 1.388 -1.821 440 1HG1 VAL 57 2HG1 VAL 57 8.024 0.582 -1.903 441 2HG1 VAL 57 1HG1 VAL 57 7.148 0.648 -3.433 442 3HG1 VAL 57 3HG1 VAL 57 7.253 2.084 -2.413 443 1HG2 VAL 57 3HG2 VAL 57 5.827 -1.534 -1.906 444 2HG2 VAL 57 2HG2 VAL 57 4.263 -0.736 -2.075 445 3HG2 VAL 57 1HG2 VAL 57 5.444 -0.648 -3.382 446 H GLY 58 H GLY 58 4.649 -1.344 0.846 447 1HA GLY 58 2HA GLY 58 5.898 -3.272 2.017 448 2HA GLY 58 1HA GLY 58 6.569 -3.534 0.414 449 H TYR 59 H TYR 59 5.321 -5.620 1.481 450 HA TYR 59 HA TYR 59 2.596 -5.622 0.379 451 1HB TYR 59 2HB TYR 59 3.937 -8.165 -0.033 452 2HB TYR 59 1HB TYR 59 3.057 -7.163 -1.185 453 HD1 TYR 59 HD1 TYR 59 4.332 -5.110 -2.134 454 HD2 TYR 59 HD2 TYR 59 6.242 -8.408 -0.243 455 HE1 TYR 59 HE1 TYR 59 6.445 -4.512 -3.239 456 HE2 TYR 59 HE2 TYR 59 8.360 -7.819 -1.343 457 HH TYR 59 HH TYR 59 8.902 -6.431 -3.671 458 HA PRO 60 HA PRO 60 2.178 -7.221 4.604 459 1HB PRO 60 2HB PRO 60 -0.584 -7.215 4.460 460 2HB PRO 60 1HB PRO 60 0.403 -5.855 4.995 461 1HG PRO 60 2HG PRO 60 -0.866 -6.351 2.346 462 2HG PRO 60 1HG PRO 60 -0.662 -4.828 3.228 463 1HD PRO 60 2HD PRO 60 0.898 -5.501 1.133 464 2HD PRO 60 1HD PRO 60 1.508 -4.551 2.502 465 H ILE 61 H ILE 61 -0.729 -8.294 3.002 466 HA ILE 61 HA ILE 61 -1.491 -10.343 2.351 467 HB ILE 61 HB ILE 61 1.359 -11.325 2.493 468 1HG1 ILE 61 1HG1 ILE 61 1.258 -9.351 1.053 469 2HG1 ILE 61 2HG1 ILE 61 1.493 -10.804 0.086 470 1HG2 ILE 61 3HG2 ILE 61 -0.614 -12.940 2.328 471 2HG2 ILE 61 2HG2 ILE 61 -0.833 -12.308 0.697 472 3HG2 ILE 61 1HG2 ILE 61 0.676 -13.106 1.139 473 1HD1 ILE 61 2HD1 ILE 61 -1.176 -10.649 0.009 474 2HD1 ILE 61 1HD1 ILE 61 -0.780 -8.939 0.183 475 3HD1 ILE 61 3HD1 ILE 61 -0.119 -9.864 -1.164 476 H VAL 62 H VAL 62 -2.688 -11.163 3.946 477 HA VAL 62 HA VAL 62 -1.815 -11.677 6.555 478 HB VAL 62 HB VAL 62 -4.135 -13.068 5.224 479 1HG1 VAL 62 1HG1 VAL 62 -3.534 -12.306 8.077 480 2HG1 VAL 62 3HG1 VAL 62 -5.095 -12.908 7.521 481 3HG1 VAL 62 2HG1 VAL 62 -3.663 -13.932 7.405 482 1HG2 VAL 62 2HG2 VAL 62 -3.987 -10.281 6.361 483 2HG2 VAL 62 1HG2 VAL 62 -4.376 -10.745 4.704 484 3HG2 VAL 62 3HG2 VAL 62 -5.494 -11.130 6.013 485 H LYS 63 H LYS 63 -2.915 -14.185 4.274 486 HA LYS 63 HA LYS 63 -1.035 -16.050 5.537 487 1HB LYS 63 2HB LYS 63 -3.671 -16.327 4.209 488 2HB LYS 63 1HB LYS 63 -2.530 -17.639 3.958 489 1HG LYS 63 2HG LYS 63 -2.280 -17.537 6.555 490 2HG LYS 63 1HG LYS 63 -3.849 -16.730 6.468 491 1HD LYS 63 2HD LYS 63 -4.757 -18.633 5.224 492 2HD LYS 63 1HD LYS 63 -3.191 -19.440 5.313 493 1HE LYS 63 2HE LYS 63 -3.817 -20.340 7.241 494 2HE LYS 63 1HE LYS 63 -3.841 -18.725 7.944 495 1HZ LYS 63 1HZ LYS 63 -6.184 -19.531 6.410 496 2HZ LYS 63 3HZ LYS 63 -5.959 -20.284 7.907 497 3HZ LYS 63 2HZ LYS 63 -6.080 -18.600 7.817 498 HA PRO 64 HA PRO 64 1.769 -16.374 2.173 499 1HB PRO 64 2HB PRO 64 1.205 -19.296 2.135 500 2HB PRO 64 1HB PRO 64 2.749 -18.449 2.263 501 1HG PRO 64 2HG PRO 64 1.629 -19.613 4.390 502 2HG PRO 64 1HG PRO 64 2.512 -18.085 4.533 503 1HD PRO 64 2HD PRO 64 -0.420 -18.593 4.591 504 2HD PRO 64 1HD PRO 64 0.532 -17.359 5.442 505 H GLY 65 H GLY 65 1.737 -16.352 -0.035 506 1HA GLY 65 2HA GLY 65 0.414 -15.928 -1.959 507 2HA GLY 65 1HA GLY 65 -0.845 -16.950 -1.286 508 HA PRO 66 HA PRO 66 0.713 -20.583 -3.273 509 1HB PRO 66 2HB PRO 66 -1.068 -20.737 -5.322 510 2HB PRO 66 1HB PRO 66 -1.470 -21.172 -3.658 511 1HG PRO 66 2HG PRO 66 -2.038 -18.638 -5.147 512 2HG PRO 66 1HG PRO 66 -3.095 -19.556 -4.057 513 1HD PRO 66 2HD PRO 66 -1.776 -17.327 -3.269 514 2HD PRO 66 1HD PRO 66 -2.117 -18.675 -2.163 515 H ASN 67 H ASN 67 -0.569 -18.757 -6.010 516 HA ASN 67 HA ASN 67 2.064 -18.931 -7.284 517 1HB ASN 67 2HB ASN 67 0.400 -18.038 -9.246 518 2HB ASN 67 1HB ASN 67 0.727 -19.737 -8.920 519 1HD2 ASN 67 1HD2 ASN 67 -1.322 -17.209 -7.497 520 2HD2 ASN 67 2HD2 ASN 67 -2.767 -18.156 -7.479 521 H CYS 68 H CYS 68 0.365 -16.771 -5.502 522 HA CYS 68 HA CYS 68 0.599 -14.365 -6.952 523 1HB CYS 68 2HB CYS 68 -0.371 -15.142 -4.439 524 2HB CYS 68 1HB CYS 68 0.893 -13.966 -4.101 525 H GLY 69 H GLY 69 2.930 -16.315 -5.373 526 1HA GLY 69 1HA GLY 69 4.938 -14.190 -5.783 527 2HA GLY 69 2HA GLY 69 5.263 -15.915 -5.911 528 H PHE 70 H PHE 70 3.824 -16.667 -3.537 529 HA PHE 70 HA PHE 70 4.158 -16.959 -1.307 530 1HB PHE 70 2HB PHE 70 6.889 -16.138 -2.248 531 2HB PHE 70 1HB PHE 70 6.585 -16.403 -0.534 532 HD1 PHE 70 HD1 PHE 70 5.644 -18.663 0.167 533 HD2 PHE 70 HD2 PHE 70 7.354 -17.925 -3.659 534 HE1 PHE 70 HE1 PHE 70 5.986 -21.081 -0.141 535 HE2 PHE 70 HE2 PHE 70 7.700 -20.341 -3.975 536 HZ PHE 70 HZ PHE 70 7.015 -21.922 -2.215 537 H GLY 71 H GLY 71 2.746 -15.487 -0.446 538 1HA GLY 71 1HA GLY 71 1.996 -13.515 0.496 539 2HA GLY 71 2HA GLY 71 3.345 -12.687 -0.275 540 H LYS 72 H LYS 72 4.788 -15.140 1.252 541 HA LYS 72 HA LYS 72 5.761 -15.493 3.297 542 1HB LYS 72 2HB LYS 72 6.630 -13.119 2.070 543 2HB LYS 72 1HB LYS 72 6.511 -12.765 3.790 544 1HG LYS 72 2HG LYS 72 7.958 -14.642 4.302 545 2HG LYS 72 1HG LYS 72 8.034 -15.070 2.591 546 1HD LYS 72 2HD LYS 72 8.936 -12.413 3.690 547 2HD LYS 72 1HD LYS 72 10.014 -13.791 3.458 548 1HE LYS 72 2HE LYS 72 8.358 -13.062 1.133 549 2HE LYS 72 1HE LYS 72 9.577 -11.876 1.601 550 1HZ LYS 72 1HZ LYS 72 10.915 -14.237 1.702 551 2HZ LYS 72 3HZ LYS 72 9.910 -14.438 0.356 552 3HZ LYS 72 2HZ LYS 72 10.975 -13.126 0.428 553 H THR 73 H THR 73 6.183 -13.870 5.479 554 HA THR 73 HA THR 73 3.449 -13.556 6.530 555 HB THR 73 HB THR 73 4.965 -13.754 8.771 556 HG1 THR 73 HG1 THR 73 6.399 -15.567 8.323 557 1HG2 THR 73 1HG2 THR 73 3.342 -15.623 7.165 558 2HG2 THR 73 3HG2 THR 73 4.374 -16.359 8.392 559 3HG2 THR 73 2HG2 THR 73 3.181 -15.145 8.855 560 H GLY 74 H GLY 74 2.840 -11.618 7.261 561 1HA GLY 74 2HA GLY 74 4.769 -9.731 8.316 562 2HA GLY 74 1HA GLY 74 3.024 -9.513 8.238 563 H ILE 75 H ILE 75 4.109 -7.306 7.613 564 HA ILE 75 HA ILE 75 3.650 -6.996 4.799 565 HB ILE 75 HB ILE 75 4.604 -4.946 6.800 566 1HG1 ILE 75 1HG1 ILE 75 1.911 -5.979 6.035 567 2HG1 ILE 75 2HG1 ILE 75 2.508 -5.464 7.609 568 1HG2 ILE 75 3HG2 ILE 75 4.672 -4.783 4.069 569 2HG2 ILE 75 2HG2 ILE 75 3.114 -4.051 4.453 570 3HG2 ILE 75 1HG2 ILE 75 4.591 -3.410 5.174 571 1HD1 ILE 75 1HD1 ILE 75 2.489 -3.103 6.625 572 2HD1 ILE 75 3HD1 ILE 75 1.480 -3.794 5.355 573 3HD1 ILE 75 2HD1 ILE 75 0.945 -3.851 7.036 574 H ILE 76 H ILE 76 5.146 -7.599 3.401 575 HA ILE 76 HA ILE 76 7.955 -7.550 4.014 576 HB ILE 76 HB ILE 76 6.834 -7.985 1.266 577 1HG1 ILE 76 1HG1 ILE 76 5.430 -9.355 2.654 578 2HG1 ILE 76 2HG1 ILE 76 6.616 -10.407 1.889 579 1HG2 ILE 76 2HG2 ILE 76 9.372 -7.959 2.142 580 2HG2 ILE 76 1HG2 ILE 76 8.980 -9.660 2.394 581 3HG2 ILE 76 3HG2 ILE 76 8.817 -8.946 0.789 582 1HD1 ILE 76 3HD1 ILE 76 7.198 -9.324 4.593 583 2HD1 ILE 76 2HD1 ILE 76 6.041 -10.644 4.423 584 3HD1 ILE 76 1HD1 ILE 76 7.698 -10.844 3.852 585 H ASP 77 H ASP 77 8.238 -5.286 4.405 586 HA ASP 77 HA ASP 77 8.182 -3.623 1.978 587 1HB ASP 77 2HB ASP 77 6.859 -2.499 3.529 588 2HB ASP 77 1HB ASP 77 7.867 -2.981 4.890 589 H TYR 78 H TYR 78 10.065 -3.190 1.063 590 HA TYR 78 HA TYR 78 12.534 -3.823 2.428 591 1HB TYR 78 2HB TYR 78 12.008 -2.778 -0.362 592 2HB TYR 78 1HB TYR 78 13.587 -3.258 0.249 593 HD1 TYR 78 HD1 TYR 78 10.151 -4.749 0.229 594 HD2 TYR 78 HD2 TYR 78 14.301 -5.297 -0.535 595 HE1 TYR 78 HE1 TYR 78 9.710 -7.066 -0.463 596 HE2 TYR 78 HE2 TYR 78 13.872 -7.616 -1.231 597 HH TYR 78 HH TYR 78 12.102 -9.373 -0.795 598 H GLY 79 H GLY 79 10.663 -1.351 2.896 599 1HA GLY 79 2HA GLY 79 12.750 0.398 3.730 600 2HA GLY 79 1HA GLY 79 11.024 0.754 3.760 601 H ILE 80 H ILE 80 12.030 2.914 3.144 602 HA ILE 80 HA ILE 80 11.406 3.499 0.479 603 HB ILE 80 HB ILE 80 13.183 5.174 2.248 604 1HG1 ILE 80 1HG1 ILE 80 10.215 5.537 2.113 605 2HG1 ILE 80 2HG1 ILE 80 10.875 4.301 3.178 606 1HG2 ILE 80 1HG2 ILE 80 12.881 5.741 -0.205 607 2HG2 ILE 80 3HG2 ILE 80 11.197 6.088 0.186 608 3HG2 ILE 80 2HG2 ILE 80 12.489 7.013 0.952 609 1HD1 ILE 80 2HD1 ILE 80 12.391 6.281 3.995 610 2HD1 ILE 80 1HD1 ILE 80 11.068 7.255 3.351 611 3HD1 ILE 80 3HD1 ILE 80 10.753 6.062 4.612 612 H ARG 81 H ARG 81 12.496 2.992 -1.295 613 HA ARG 81 HA ARG 81 15.402 2.611 -1.125 614 1HB ARG 81 2HB ARG 81 13.308 1.620 -3.047 615 2HB ARG 81 1HB ARG 81 15.019 1.569 -3.452 616 1HG ARG 81 2HG ARG 81 14.532 0.457 -0.833 617 2HG ARG 81 1HG ARG 81 13.568 -0.350 -2.071 618 1HD ARG 81 2HD ARG 81 15.364 -1.302 -3.022 619 2HD ARG 81 1HD ARG 81 16.341 0.155 -2.856 620 HE ARG 81 HE ARG 81 16.360 -0.656 -0.360 621 1HH1 ARG 81 1HH1 ARG 81 16.643 -2.566 -3.258 622 2HH1 ARG 81 2HH1 ARG 81 17.615 -3.790 -2.512 623 1HH2 ARG 81 1HH2 ARG 81 17.640 -2.263 0.633 624 2HH2 ARG 81 2HH2 ARG 81 18.182 -3.618 -0.300 625 H LEU 82 H LEU 82 13.801 5.191 -1.421 626 HA LEU 82 HA LEU 82 13.936 7.165 -2.545 627 1HB LEU 82 2HB LEU 82 16.475 6.292 -2.089 628 2HB LEU 82 1HB LEU 82 16.506 6.524 -3.824 629 HG LEU 82 HG LEU 82 17.321 8.516 -2.760 630 1HD1 LEU 82 3HD1 LEU 82 14.589 8.728 -3.975 631 2HD1 LEU 82 2HD1 LEU 82 15.493 10.160 -3.482 632 3HD1 LEU 82 1HD1 LEU 82 16.156 9.074 -4.704 633 1HD2 LEU 82 1HD2 LEU 82 15.757 7.906 -0.667 634 2HD2 LEU 82 3HD2 LEU 82 16.441 9.510 -0.936 635 3HD2 LEU 82 2HD2 LEU 82 14.779 9.167 -1.415 636 H ASN 83 H ASN 83 12.638 5.014 -3.911 637 HA ASN 83 HA ASN 83 13.088 5.879 -6.686 638 1HB ASN 83 2HB ASN 83 13.465 3.264 -5.659 639 2HB ASN 83 1HB ASN 83 12.007 3.225 -6.646 640 1HD2 ASN 83 1HD2 ASN 83 12.278 4.468 -8.778 641 2HD2 ASN 83 2HD2 ASN 83 13.733 4.138 -9.651 642 H ARG 84 H ARG 84 11.297 7.246 -5.311 643 HA ARG 84 HA ARG 84 8.709 6.210 -5.098 644 1HB ARG 84 2HB ARG 84 9.452 9.072 -5.704 645 2HB ARG 84 1HB ARG 84 7.980 8.498 -4.938 646 1HG ARG 84 2HG ARG 84 8.945 8.283 -2.921 647 2HG ARG 84 1HG ARG 84 10.482 7.741 -3.595 648 1HD ARG 84 2HD ARG 84 11.082 9.998 -4.174 649 2HD ARG 84 1HD ARG 84 9.495 10.586 -3.682 650 HE ARG 84 HE ARG 84 10.843 9.263 -1.549 651 1HH1 ARG 84 2HH1 ARG 84 10.675 12.260 -3.315 652 2HH1 ARG 84 1HH1 ARG 84 11.266 13.219 -1.998 653 1HH2 ARG 84 1HH2 ARG 84 11.621 10.516 0.190 654 2HH2 ARG 84 2HH2 ARG 84 11.804 12.227 -0.007 655 H SER 85 H SER 85 10.527 6.609 -7.836 656 HA SER 85 HA SER 85 8.316 7.330 -9.587 657 1HB SER 85 2HB SER 85 10.876 7.997 -9.797 658 2HB SER 85 1HB SER 85 10.968 6.459 -10.653 659 HG SER 85 HG SER 85 10.147 8.769 -11.598 660 H GLU 86 H GLU 86 8.541 4.753 -8.005 661 HA GLU 86 HA GLU 86 8.779 2.718 -10.046 662 1HB GLU 86 2HB GLU 86 8.298 2.744 -7.098 663 2HB GLU 86 1HB GLU 86 7.844 1.313 -8.015 664 1HG GLU 86 2HG GLU 86 10.544 2.362 -8.533 665 2HG GLU 86 1HG GLU 86 10.267 1.697 -6.923 666 H ARG 87 H ARG 87 6.812 0.937 -9.542 667 HA ARG 87 HA ARG 87 4.284 2.389 -9.840 668 1HB ARG 87 2HB ARG 87 4.878 0.085 -11.659 669 2HB ARG 87 1HB ARG 87 3.671 1.351 -11.826 670 1HG ARG 87 2HG ARG 87 5.100 2.764 -12.838 671 2HG ARG 87 1HG ARG 87 6.466 2.265 -11.841 672 1HD ARG 87 2HD ARG 87 7.161 1.356 -13.793 673 2HD ARG 87 1HD ARG 87 6.138 0.024 -13.257 674 HE ARG 87 HE ARG 87 4.681 0.495 -14.963 675 1HH1 ARG 87 1HH1 ARG 87 6.890 3.157 -14.566 676 2HH1 ARG 87 2HH1 ARG 87 6.375 3.970 -16.005 677 1HH2 ARG 87 2HH2 ARG 87 3.994 1.555 -16.861 678 2HH2 ARG 87 1HH2 ARG 87 4.727 3.058 -17.311 679 H TRP 88 H TRP 88 2.996 1.675 -8.337 680 HA TRP 88 HA TRP 88 2.466 -1.154 -8.036 681 1HB TRP 88 2HB TRP 88 3.072 0.315 -5.492 682 2HB TRP 88 1HB TRP 88 3.053 -1.418 -5.798 683 HD1 TRP 88 HD1 TRP 88 5.344 1.552 -5.703 684 HE1 TRP 88 HE1 TRP 88 7.750 0.799 -6.229 685 HE3 TRP 88 HE3 TRP 88 4.377 -3.211 -7.292 686 HZ2 TRP 88 HZ2 TRP 88 9.063 -1.510 -7.188 687 HZ3 TRP 88 HZ3 TRP 88 6.264 -4.626 -7.994 688 HH2 TRP 88 HH2 TRP 88 8.557 -3.791 -7.943 689 H ASP 89 H ASP 89 0.996 -1.019 -5.681 690 HA ASP 89 HA ASP 89 -1.297 0.509 -6.589 691 1HB ASP 89 2HB ASP 89 -1.311 -1.186 -4.123 692 2HB ASP 89 1HB ASP 89 -2.589 -0.911 -5.298 693 H ALA 90 H ALA 90 -2.651 1.157 -4.389 694 HA ALA 90 HA ALA 90 -0.888 2.671 -2.617 695 1HB ALA 90 1HB ALA 90 -1.414 4.169 -4.504 696 2HB ALA 90 2HB ALA 90 -2.073 4.752 -2.975 697 3HB ALA 90 3HB ALA 90 -3.132 3.977 -4.152 698 H TYR 91 H TYR 91 -1.651 2.794 -0.559 699 HA TYR 91 HA TYR 91 -4.244 1.544 -0.039 700 1HB TYR 91 2HB TYR 91 -1.787 2.040 1.615 701 2HB TYR 91 1HB TYR 91 -3.327 1.705 2.392 702 HD1 TYR 91 HD1 TYR 91 -4.574 -0.455 1.481 703 HD2 TYR 91 HD2 TYR 91 -0.395 0.270 1.122 704 HE1 TYR 91 HE1 TYR 91 -4.184 -2.866 1.200 705 HE2 TYR 91 HE2 TYR 91 0.003 -2.139 0.841 706 HH TYR 91 HH TYR 91 -2.195 -4.283 -0.001 707 H CYS 92 H CYS 92 -5.915 2.904 0.080 708 HA CYS 92 HA CYS 92 -5.492 5.659 0.904 709 1HB CYS 92 2HB CYS 92 -7.711 4.160 -0.423 710 2HB CYS 92 1HB CYS 92 -8.071 5.679 0.386 711 H TYR 93 H TYR 93 -6.218 6.564 2.752 712 HA TYR 93 HA TYR 93 -7.851 4.945 4.572 713 1HB TYR 93 2HB TYR 93 -5.540 4.613 5.254 714 2HB TYR 93 1HB TYR 93 -5.271 6.346 5.287 715 HD1 TYR 93 HD1 TYR 93 -7.304 7.540 6.798 716 HD2 TYR 93 HD2 TYR 93 -5.609 3.675 7.349 717 HE1 TYR 93 HE1 TYR 93 -7.967 7.593 9.165 718 HE2 TYR 93 HE2 TYR 93 -6.269 3.719 9.717 719 HH TYR 93 HH TYR 93 -8.391 6.099 10.994 720 H ASN 94 H ASN 94 -9.507 6.064 5.363 721 HA ASN 94 HA ASN 94 -9.268 8.982 5.614 722 1HB ASN 94 2HB ASN 94 -11.468 7.433 4.259 723 2HB ASN 94 1HB ASN 94 -11.728 9.059 4.880 724 1HD2 ASN 94 2HD2 ASN 94 -12.063 10.012 2.926 725 2HD2 ASN 94 1HD2 ASN 94 -10.828 10.196 1.733 726 HA PRO 95 HA PRO 95 -10.801 8.680 9.725 727 1HB PRO 95 2HB PRO 95 -12.865 10.667 8.882 728 2HB PRO 95 1HB PRO 95 -11.779 10.695 10.276 729 1HG PRO 95 2HG PRO 95 -11.295 12.210 8.135 730 2HG PRO 95 1HG PRO 95 -9.974 11.429 9.022 731 1HD PRO 95 1HD PRO 95 -11.158 10.730 6.384 732 2HD PRO 95 2HD PRO 95 -9.493 10.535 6.964 733 H HIS 96 H HIS 96 -13.129 8.668 7.082 734 HA HIS 96 HA HIS 96 -14.764 6.746 8.602 735 1HB HIS 96 2HB HIS 96 -15.869 8.976 8.291 736 2HB HIS 96 1HB HIS 96 -15.790 8.719 6.550 737 HD1 HIS 96 HD1 HIS 96 -18.426 8.844 6.557 738 HD2 HIS 96 HD2 HIS 96 -16.799 5.614 8.602 739 HE1 HIS 96 HE1 HIS 96 -20.331 7.236 6.898 740 HE2 HIS 96 HE2 HIS 96 -19.340 5.328 8.213 741 H ALA 97 H ALA 97 -13.375 7.708 5.546 742 HA ALA 97 HA ALA 97 -13.432 6.690 3.460 743 1HB ALA 97 3HB ALA 97 -11.453 5.747 4.042 744 2HB ALA 97 1HB ALA 97 -12.398 4.266 3.882 745 3HB ALA 97 2HB ALA 97 -12.120 4.967 5.477 746 H LYS 98 H LYS 98 -15.891 6.694 3.562 747 HA LYS 98 HA LYS 98 -17.056 4.041 3.887 748 1HB LYS 98 2HB LYS 98 -18.051 6.429 4.560 749 2HB LYS 98 1HB LYS 98 -18.680 6.337 2.919 750 1HG LYS 98 2HG LYS 98 -19.309 3.871 3.898 751 2HG LYS 98 1HG LYS 98 -19.485 4.892 5.326 752 1HD LYS 98 2HD LYS 98 -20.792 6.452 3.673 753 2HD LYS 98 1HD LYS 98 -20.977 4.966 2.741 754 1HE LYS 98 2HE LYS 98 -22.111 3.883 4.517 755 2HE LYS 98 1HE LYS 98 -21.679 5.155 5.659 756 1HZ LYS 98 2HZ LYS 98 -23.079 6.689 4.410 757 2HZ LYS 98 1HZ LYS 98 -23.509 5.452 3.339 758 3HZ LYS 98 3HZ LYS 98 -23.972 5.364 4.965 No H/Q in entry = 758 Start of MODEL 4 1 H1 GLY 1 2H GLY 1 -9.439 3.963 9.326 2 H2 GLY 1 1H GLY 1 -10.865 3.451 10.077 3 H3 GLY 1 3H GLY 1 -9.799 2.313 9.421 4 1HA GLY 1 1HA GLY 1 -11.479 4.264 7.958 5 2HA GLY 1 2HA GLY 1 -11.610 2.514 7.921 6 H VAL 2 H VAL 2 -9.012 1.750 7.613 7 HA VAL 2 HA VAL 2 -8.058 3.111 5.200 8 HB VAL 2 HB VAL 2 -6.314 2.893 6.772 9 1HG1 VAL 2 3HG1 VAL 2 -7.710 0.589 7.601 10 2HG1 VAL 2 2HG1 VAL 2 -6.076 0.083 7.173 11 3HG1 VAL 2 1HG1 VAL 2 -6.320 1.359 8.366 12 1HG2 VAL 2 1HG2 VAL 2 -5.972 2.042 4.322 13 2HG2 VAL 2 3HG2 VAL 2 -4.692 1.851 5.520 14 3HG2 VAL 2 2HG2 VAL 2 -5.731 0.485 5.114 15 H TYR 3 H TYR 3 -7.678 2.013 3.282 16 HA TYR 3 HA TYR 3 -8.320 -0.804 3.078 17 1HB TYR 3 2HB TYR 3 -10.003 -0.431 1.283 18 2HB TYR 3 1HB TYR 3 -10.532 0.151 2.857 19 HD1 TYR 3 HD1 TYR 3 -10.238 2.668 3.336 20 HD2 TYR 3 HD2 TYR 3 -10.060 0.985 -0.568 21 HE1 TYR 3 HE1 TYR 3 -10.701 4.880 2.368 22 HE2 TYR 3 HE2 TYR 3 -10.524 3.193 -1.546 23 HH TYR 3 HH TYR 3 -10.105 5.942 -0.169 24 H HIS 4 H HIS 4 -8.375 -1.269 0.490 25 HA HIS 4 HA HIS 4 -5.768 -0.312 -0.418 26 1HB HIS 4 2HB HIS 4 -5.973 -2.696 -0.419 27 2HB HIS 4 1HB HIS 4 -7.508 -2.625 -1.278 28 HD1 HIS 4 HD1 HIS 4 -7.244 -3.338 -3.617 29 HD2 HIS 4 HD2 HIS 4 -3.874 -1.337 -2.237 30 HE1 HIS 4 HE1 HIS 4 -5.646 -3.296 -5.558 31 HE2 HIS 4 HE2 HIS 4 -3.583 -2.149 -4.676 32 H ARG 5 H ARG 5 -5.426 0.384 -2.589 33 HA ARG 5 HA ARG 5 -7.767 1.131 -4.151 34 1HB ARG 5 2HB ARG 5 -7.222 3.013 -2.540 35 2HB ARG 5 1HB ARG 5 -5.711 3.210 -3.414 36 1HG ARG 5 2HG ARG 5 -7.076 4.796 -4.387 37 2HG ARG 5 1HG ARG 5 -7.218 3.435 -5.501 38 1HD ARG 5 2HD ARG 5 -9.426 3.798 -5.270 39 2HD ARG 5 1HD ARG 5 -9.223 2.872 -3.784 40 HE ARG 5 HE ARG 5 -8.897 5.156 -2.717 41 1HH1 ARG 5 1HH1 ARG 5 -10.894 4.608 -5.517 42 2HH1 ARG 5 2HH1 ARG 5 -11.949 5.942 -5.186 43 1HH2 ARG 5 2HH2 ARG 5 -10.280 6.915 -2.273 44 2HH2 ARG 5 1HH2 ARG 5 -11.600 7.253 -3.342 45 H GLU 6 H GLU 6 -7.311 1.599 -6.337 46 HA GLU 6 HA GLU 6 -4.589 0.859 -7.194 47 1HB GLU 6 2HB GLU 6 -6.021 -0.942 -7.801 48 2HB GLU 6 1HB GLU 6 -7.257 0.150 -8.407 49 1HG GLU 6 2HG GLU 6 -5.840 0.772 -10.263 50 2HG GLU 6 1HG GLU 6 -4.536 -0.232 -9.631 51 H ALA 7 H ALA 7 -4.245 1.570 -9.570 52 HA ALA 7 HA ALA 7 -4.595 4.430 -9.624 53 1HB ALA 7 1HB ALA 7 -2.691 4.348 -10.757 54 2HB ALA 7 3HB ALA 7 -2.749 2.586 -10.705 55 3HB ALA 7 2HB ALA 7 -3.477 3.452 -12.058 56 H ARG 8 H ARG 8 -5.388 5.578 -11.532 57 HA ARG 8 HA ARG 8 -7.985 4.789 -12.242 58 1HB ARG 8 2HB ARG 8 -6.105 6.879 -13.304 59 2HB ARG 8 1HB ARG 8 -7.678 6.618 -14.046 60 1HG ARG 8 2HG ARG 8 -7.520 7.042 -11.103 61 2HG ARG 8 1HG ARG 8 -7.351 8.424 -12.186 62 1HD ARG 8 2HD ARG 8 -9.595 6.592 -12.752 63 2HD ARG 8 1HD ARG 8 -9.714 7.529 -11.264 64 HE ARG 8 HE ARG 8 -9.839 8.532 -13.974 65 1HH1 ARG 8 1HH1 ARG 8 -9.384 9.288 -10.604 66 2HH1 ARG 8 2HH1 ARG 8 -9.811 10.957 -10.787 67 1HH2 ARG 8 1HH2 ARG 8 -10.404 10.728 -14.226 68 2HH2 ARG 8 2HH2 ARG 8 -10.390 11.775 -12.846 69 H SER 9 H SER 9 -4.895 4.187 -13.713 70 HA SER 9 HA SER 9 -6.107 3.165 -16.155 71 1HB SER 9 2HB SER 9 -3.521 2.599 -16.516 72 2HB SER 9 1HB SER 9 -4.171 4.214 -16.798 73 HG SER 9 HG SER 9 -2.978 4.916 -15.229 74 H GLY 10 H GLY 10 -4.043 1.974 -13.522 75 1HA GLY 10 2HA GLY 10 -4.033 -0.710 -14.347 76 2HA GLY 10 1HA GLY 10 -5.356 -0.466 -13.218 77 H LYS 11 H LYS 11 -3.882 -2.172 -12.163 78 HA LYS 11 HA LYS 11 -2.679 -1.015 -9.899 79 1HB LYS 11 2HB LYS 11 -3.692 -3.319 -10.057 80 2HB LYS 11 1HB LYS 11 -2.240 -3.827 -10.911 81 1HG LYS 11 2HG LYS 11 -0.887 -3.219 -8.959 82 2HG LYS 11 1HG LYS 11 -2.357 -2.745 -8.103 83 1HD LYS 11 2HD LYS 11 -2.166 -4.875 -7.323 84 2HD LYS 11 1HD LYS 11 -3.090 -5.203 -8.791 85 1HE LYS 11 2HE LYS 11 -0.788 -5.467 -9.916 86 2HE LYS 11 1HE LYS 11 -0.167 -5.610 -8.273 87 1HZ LYS 11 2HZ LYS 11 -2.132 -7.347 -8.132 88 2HZ LYS 11 1HZ LYS 11 -1.837 -7.456 -9.795 89 3HZ LYS 11 3HZ LYS 11 -0.596 -7.778 -8.691 90 H TYR 12 H TYR 12 -0.402 -1.580 -9.184 91 HA TYR 12 HA TYR 12 1.803 -1.028 -9.422 92 1HB TYR 12 2HB TYR 12 1.300 -2.985 -11.653 93 2HB TYR 12 1HB TYR 12 2.908 -2.330 -11.358 94 HD1 TYR 12 HD1 TYR 12 1.146 -2.566 -8.312 95 HD2 TYR 12 HD2 TYR 12 3.291 -4.915 -11.138 96 HE1 TYR 12 HE1 TYR 12 1.528 -4.281 -6.590 97 HE2 TYR 12 HE2 TYR 12 3.677 -6.635 -9.425 98 HH TYR 12 HH TYR 12 2.001 -6.791 -6.562 99 H LYS 13 H LYS 13 0.308 1.035 -10.307 100 HA LYS 13 HA LYS 13 1.953 2.100 -12.466 101 1HB LYS 13 2HB LYS 13 -0.952 1.592 -12.555 102 2HB LYS 13 1HB LYS 13 -0.451 3.181 -13.105 103 1HG LYS 13 2HG LYS 13 1.321 1.635 -14.425 104 2HG LYS 13 1HG LYS 13 -0.060 0.540 -14.331 105 1HD LYS 13 2HD LYS 13 -1.077 3.072 -15.039 106 2HD LYS 13 1HD LYS 13 0.341 2.789 -16.052 107 1HE LYS 13 2HE LYS 13 -0.805 0.389 -16.261 108 2HE LYS 13 1HE LYS 13 -2.248 1.354 -15.958 109 1HZ LYS 13 3HZ LYS 13 -0.832 2.765 -17.834 110 2HZ LYS 13 2HZ LYS 13 -0.682 1.154 -18.325 111 3HZ LYS 13 1HZ LYS 13 -2.216 1.832 -18.110 112 H LEU 14 H LEU 14 0.873 2.382 -9.420 113 HA LEU 14 HA LEU 14 0.623 5.310 -9.469 114 1HB LEU 14 2HB LEU 14 -0.283 3.171 -7.602 115 2HB LEU 14 1HB LEU 14 0.046 4.761 -6.949 116 HG LEU 14 HG LEU 14 -1.769 4.502 -9.310 117 1HD1 LEU 14 1HD1 LEU 14 -2.221 3.124 -6.910 118 2HD1 LEU 14 3HD1 LEU 14 -3.251 4.555 -6.858 119 3HD1 LEU 14 2HD1 LEU 14 -3.370 3.432 -8.211 120 1HD2 LEU 14 3HD2 LEU 14 -1.620 6.387 -6.962 121 2HD2 LEU 14 2HD2 LEU 14 -1.096 6.721 -8.612 122 3HD2 LEU 14 1HD2 LEU 14 -2.807 6.472 -8.263 123 H THR 15 H THR 15 2.010 6.618 -8.424 124 HA THR 15 HA THR 15 4.404 5.363 -7.256 125 HB THR 15 HB THR 15 5.658 7.299 -7.845 126 HG1 THR 15 HG1 THR 15 4.758 9.209 -8.170 127 1HG2 THR 15 1HG2 THR 15 3.823 6.327 -10.005 128 2HG2 THR 15 3HG2 THR 15 5.017 7.579 -10.344 129 3HG2 THR 15 2HG2 THR 15 5.540 5.998 -9.767 130 H TYR 16 H TYR 16 5.246 6.211 -5.292 131 HA TYR 16 HA TYR 16 3.645 6.607 -3.203 132 1HB TYR 16 2HB TYR 16 6.013 6.513 -2.854 133 2HB TYR 16 1HB TYR 16 6.259 8.027 -3.718 134 HD1 TYR 16 HD1 TYR 16 4.441 6.686 -0.739 135 HD2 TYR 16 HD2 TYR 16 6.502 9.972 -2.496 136 HE1 TYR 16 HE1 TYR 16 4.268 7.924 1.380 137 HE2 TYR 16 HE2 TYR 16 6.333 11.216 -0.381 138 HH TYR 16 HH TYR 16 6.031 10.773 1.997 139 H ALA 17 H ALA 17 4.630 9.190 -5.413 140 HA ALA 17 HA ALA 17 3.235 11.246 -4.016 141 1HB ALA 17 2HB ALA 17 4.168 11.240 -6.884 142 2HB ALA 17 1HB ALA 17 3.767 12.649 -5.902 143 3HB ALA 17 3HB ALA 17 5.172 11.663 -5.496 144 H GLU 18 H GLU 18 2.467 9.223 -6.839 145 HA GLU 18 HA GLU 18 0.008 10.517 -7.426 146 1HB GLU 18 2HB GLU 18 1.059 7.771 -8.125 147 2HB GLU 18 1HB GLU 18 -0.431 8.444 -8.764 148 1HG GLU 18 2HG GLU 18 0.841 10.281 -9.771 149 2HG GLU 18 1HG GLU 18 2.331 9.568 -9.156 150 H ALA 19 H ALA 19 0.905 7.622 -5.625 151 HA ALA 19 HA ALA 19 -1.616 6.667 -4.964 152 1HB ALA 19 2HB ALA 19 -0.182 5.120 -4.224 153 2HB ALA 19 3HB ALA 19 -0.075 6.090 -2.755 154 3HB ALA 19 1HB ALA 19 1.118 6.298 -4.038 155 H LYS 20 H LYS 20 0.363 9.157 -3.447 156 HA LYS 20 HA LYS 20 -1.407 9.552 -1.224 157 1HB LYS 20 2HB LYS 20 1.139 10.070 -1.428 158 2HB LYS 20 1HB LYS 20 0.604 11.568 -2.175 159 1HG LYS 20 2HG LYS 20 -0.312 12.376 -0.227 160 2HG LYS 20 1HG LYS 20 -0.538 10.765 0.458 161 1HD LYS 20 2HD LYS 20 2.007 10.616 0.521 162 2HD LYS 20 1HD LYS 20 2.000 12.355 0.221 163 1HE LYS 20 2HE LYS 20 1.909 12.546 2.449 164 2HE LYS 20 1HE LYS 20 0.206 12.132 2.262 165 1HZ LYS 20 3HZ LYS 20 1.437 9.717 2.319 166 2HZ LYS 20 2HZ LYS 20 2.335 10.612 3.439 167 3HZ LYS 20 1HZ LYS 20 0.662 10.454 3.630 168 H ALA 21 H ALA 21 -0.890 11.061 -4.360 169 HA ALA 21 HA ALA 21 -2.464 13.343 -3.998 170 1HB ALA 21 2HB ALA 21 -2.719 13.262 -6.512 171 2HB ALA 21 3HB ALA 21 -1.792 11.762 -6.465 172 3HB ALA 21 1HB ALA 21 -1.064 13.265 -5.900 173 H VAL 22 H VAL 22 -3.333 10.063 -4.941 174 HA VAL 22 HA VAL 22 -6.074 10.712 -5.483 175 HB VAL 22 HB VAL 22 -4.530 8.153 -5.299 176 1HG1 VAL 22 1HG1 VAL 22 -7.530 8.394 -5.473 177 2HG1 VAL 22 3HG1 VAL 22 -6.617 6.919 -5.795 178 3HG1 VAL 22 2HG1 VAL 22 -6.601 7.632 -4.182 179 1HG2 VAL 22 1HG2 VAL 22 -4.745 9.741 -7.353 180 2HG2 VAL 22 3HG2 VAL 22 -4.878 7.996 -7.574 181 3HG2 VAL 22 2HG2 VAL 22 -6.332 8.992 -7.527 182 H CYS 23 H CYS 23 -4.451 8.877 -2.903 183 HA CYS 23 HA CYS 23 -6.760 8.475 -1.350 184 1HB CYS 23 2HB CYS 23 -3.819 8.410 -0.710 185 2HB CYS 23 1HB CYS 23 -5.042 8.104 0.516 186 H GLU 24 H GLU 24 -4.560 11.154 -1.623 187 HA GLU 24 HA GLU 24 -5.776 12.468 0.703 188 1HB GLU 24 2HB GLU 24 -3.279 12.431 0.462 189 2HB GLU 24 1HB GLU 24 -3.453 13.417 -0.983 190 1HG GLU 24 2HG GLU 24 -4.249 15.258 0.241 191 2HG GLU 24 1HG GLU 24 -4.531 14.280 1.679 192 H PHE 25 H PHE 25 -6.129 12.226 -2.595 193 HA PHE 25 HA PHE 25 -6.632 14.762 -3.539 194 1HB PHE 25 2HB PHE 25 -6.848 12.290 -4.580 195 2HB PHE 25 1HB PHE 25 -8.552 12.654 -4.350 196 HD1 PHE 25 HD1 PHE 25 -5.442 13.948 -5.893 197 HD2 PHE 25 HD2 PHE 25 -9.696 13.981 -5.894 198 HE1 PHE 25 HE1 PHE 25 -5.423 15.241 -7.985 199 HE2 PHE 25 HE2 PHE 25 -9.688 15.275 -7.987 200 HZ PHE 25 HZ PHE 25 -7.550 15.908 -9.035 201 H GLU 26 H GLU 26 -8.786 12.627 -1.728 202 HA GLU 26 HA GLU 26 -10.738 14.816 -1.528 203 1HB GLU 26 2HB GLU 26 -11.196 11.931 -0.783 204 2HB GLU 26 1HB GLU 26 -12.403 13.182 -1.048 205 1HG GLU 26 2HG GLU 26 -11.777 13.266 -3.414 206 2HG GLU 26 1HG GLU 26 -10.605 11.979 -3.137 207 H GLY 27 H GLY 27 -8.814 15.493 0.000 208 1HA GLY 27 1HA GLY 27 -9.779 15.718 2.561 209 2HA GLY 27 2HA GLY 27 -8.083 15.899 2.141 210 H GLY 28 H GLY 28 -7.791 13.152 1.223 211 1HA GLY 28 2HA GLY 28 -8.011 10.936 2.196 212 2HA GLY 28 1HA GLY 28 -8.108 11.704 3.776 213 H HIS 29 H HIS 29 -6.340 9.676 3.436 214 HA HIS 29 HA HIS 29 -3.728 10.770 2.807 215 1HB HIS 29 2HB HIS 29 -3.421 9.593 5.376 216 2HB HIS 29 1HB HIS 29 -3.118 11.261 4.902 217 HD1 HIS 29 HD1 HIS 29 -5.203 12.922 5.159 218 HD2 HIS 29 HD2 HIS 29 -5.572 9.232 7.038 219 HE1 HIS 29 HE1 HIS 29 -7.089 13.189 6.801 220 HE2 HIS 29 HE2 HIS 29 -7.286 10.948 7.937 221 H LEU 30 H LEU 30 -2.320 9.206 2.165 222 HA LEU 30 HA LEU 30 -3.346 6.585 1.748 223 1HB LEU 30 2HB LEU 30 -1.748 6.478 0.215 224 2HB LEU 30 1HB LEU 30 -1.301 8.114 0.655 225 HG LEU 30 HG LEU 30 0.059 6.642 2.520 226 1HD1 LEU 30 2HD1 LEU 30 -0.766 4.667 0.952 227 2HD1 LEU 30 1HD1 LEU 30 0.664 5.148 0.038 228 3HD1 LEU 30 3HD1 LEU 30 0.819 4.659 1.726 229 1HD2 LEU 30 2HD2 LEU 30 0.673 8.062 0.033 230 2HD2 LEU 30 1HD2 LEU 30 1.416 8.188 1.627 231 3HD2 LEU 30 3HD2 LEU 30 1.899 6.894 0.529 232 H ALA 31 H ALA 31 -3.245 4.865 2.999 233 HA ALA 31 HA ALA 31 -2.517 4.907 5.648 234 1HB ALA 31 3HB ALA 31 -3.290 2.877 3.725 235 2HB ALA 31 2HB ALA 31 -2.200 2.254 4.964 236 3HB ALA 31 1HB ALA 31 -3.708 3.040 5.430 237 H THR 32 H THR 32 -0.833 3.684 6.781 238 HA THR 32 HA THR 32 1.752 3.887 5.380 239 HB THR 32 HB THR 32 2.815 4.310 7.481 240 HG1 THR 32 HG1 THR 32 1.517 2.913 8.776 241 1HG2 THR 32 3HG2 THR 32 0.512 5.934 6.667 242 2HG2 THR 32 2HG2 THR 32 1.043 6.202 8.328 243 3HG2 THR 32 1HG2 THR 32 2.178 6.410 6.995 244 H TYR 33 H TYR 33 3.306 2.544 7.219 245 HA TYR 33 HA TYR 33 2.778 -0.185 6.513 246 1HB TYR 33 2HB TYR 33 5.069 0.435 6.585 247 2HB TYR 33 1HB TYR 33 4.902 1.158 8.177 248 HD1 TYR 33 HD1 TYR 33 4.416 -2.177 6.545 249 HD2 TYR 33 HD2 TYR 33 5.761 -0.020 9.958 250 HE1 TYR 33 HE1 TYR 33 5.149 -4.280 7.576 251 HE2 TYR 33 HE2 TYR 33 6.503 -2.122 10.998 252 HH TYR 33 HH TYR 33 7.009 -4.329 10.535 253 H LYS 34 H LYS 34 3.488 1.198 9.689 254 HA LYS 34 HA LYS 34 2.533 -0.791 11.284 255 1HB LYS 34 2HB LYS 34 2.424 2.193 11.713 256 2HB LYS 34 1HB LYS 34 2.013 1.034 12.966 257 1HG LYS 34 2HG LYS 34 4.360 0.057 12.508 258 2HG LYS 34 1HG LYS 34 4.670 1.612 11.731 259 1HD LYS 34 2HD LYS 34 3.622 2.524 13.989 260 2HD LYS 34 1HD LYS 34 4.202 0.972 14.595 261 1HE LYS 34 2HE LYS 34 5.925 2.912 13.065 262 2HE LYS 34 1HE LYS 34 5.811 2.891 14.825 263 1HZ LYS 34 2HZ LYS 34 6.477 0.413 13.390 264 2HZ LYS 34 1HZ LYS 34 7.679 1.577 13.638 265 3HZ LYS 34 3HZ LYS 34 6.886 0.884 14.962 266 H GLN 35 H GLN 35 0.657 1.818 9.786 267 HA GLN 35 HA GLN 35 -1.804 1.184 11.009 268 1HB GLN 35 2HB GLN 35 -1.179 2.570 8.397 269 2HB GLN 35 1HB GLN 35 -2.784 2.480 9.101 270 1HG GLN 35 2HG GLN 35 -2.010 3.699 11.060 271 2HG GLN 35 1HG GLN 35 -0.387 3.773 10.376 272 1HE2 GLN 35 1HE2 GLN 35 -1.635 6.066 11.100 273 2HE2 GLN 35 2HE2 GLN 35 -2.077 6.976 9.700 274 H LEU 36 H LEU 36 -0.483 0.349 7.810 275 HA LEU 36 HA LEU 36 -2.609 -1.208 6.916 276 1HB LEU 36 2HB LEU 36 -0.103 -0.534 5.965 277 2HB LEU 36 1HB LEU 36 0.003 -2.271 6.162 278 HG LEU 36 HG LEU 36 -0.726 -1.368 3.878 279 1HD1 LEU 36 1HD1 LEU 36 -1.432 -3.677 5.338 280 2HD1 LEU 36 3HD1 LEU 36 -2.858 -3.181 4.427 281 3HD1 LEU 36 2HD1 LEU 36 -1.336 -3.478 3.588 282 1HD2 LEU 36 2HD2 LEU 36 -2.659 -0.103 5.464 283 2HD2 LEU 36 1HD2 LEU 36 -2.566 -0.142 3.703 284 3HD2 LEU 36 3HD2 LEU 36 -3.512 -1.357 4.562 285 H GLU 37 H GLU 37 -0.126 -1.862 9.235 286 HA GLU 37 HA GLU 37 -0.304 -4.685 9.286 287 1HB GLU 37 2HB GLU 37 1.547 -3.359 10.300 288 2HB GLU 37 1HB GLU 37 0.432 -2.815 11.544 289 1HG GLU 37 2HG GLU 37 1.408 -4.537 12.646 290 2HG GLU 37 1HG GLU 37 0.081 -5.402 11.875 291 H ALA 38 H ALA 38 -1.575 -2.302 11.583 292 HA ALA 38 HA ALA 38 -3.228 -4.051 12.984 293 1HB ALA 38 1HB ALA 38 -2.890 -2.088 14.122 294 2HB ALA 38 3HB ALA 38 -3.109 -1.091 12.683 295 3HB ALA 38 2HB ALA 38 -4.509 -1.811 13.478 296 H ALA 39 H ALA 39 -3.526 -2.880 9.839 297 HA ALA 39 HA ALA 39 -6.439 -3.172 9.768 298 1HB ALA 39 1HB ALA 39 -4.527 -2.355 7.577 299 2HB ALA 39 2HB ALA 39 -5.433 -1.245 8.608 300 3HB ALA 39 3HB ALA 39 -6.288 -2.312 7.492 301 H ARG 40 H ARG 40 -3.489 -4.697 8.811 302 HA ARG 40 HA ARG 40 -4.629 -6.617 7.035 303 1HB ARG 40 2HB ARG 40 -2.317 -6.083 6.778 304 2HB ARG 40 1HB ARG 40 -1.995 -6.394 8.480 305 1HG ARG 40 2HG ARG 40 -2.529 -8.790 8.080 306 2HG ARG 40 1HG ARG 40 -2.670 -8.425 6.361 307 1HD ARG 40 2HD ARG 40 -0.381 -7.827 6.208 308 2HD ARG 40 1HD ARG 40 -0.197 -7.818 7.960 309 HE ARG 40 HE ARG 40 -0.352 -10.175 6.236 310 1HH1 ARG 40 2HH1 ARG 40 0.016 -8.795 9.412 311 2HH1 ARG 40 1HH1 ARG 40 0.616 -10.258 10.119 312 1HH2 ARG 40 1HH2 ARG 40 0.436 -12.107 7.158 313 2HH2 ARG 40 2HH2 ARG 40 0.855 -12.140 8.838 314 H LYS 41 H LYS 41 -3.928 -6.416 10.451 315 HA LYS 41 HA LYS 41 -4.278 -9.162 11.037 316 1HB LYS 41 2HB LYS 41 -4.653 -6.843 12.929 317 2HB LYS 41 1HB LYS 41 -4.270 -8.507 13.351 318 1HG LYS 41 2HG LYS 41 -2.183 -8.015 11.789 319 2HG LYS 41 1HG LYS 41 -2.524 -6.363 12.301 320 1HD LYS 41 2HD LYS 41 -2.706 -7.797 14.647 321 2HD LYS 41 1HD LYS 41 -1.372 -8.582 13.797 322 1HE LYS 41 2HE LYS 41 -0.144 -6.577 13.663 323 2HE LYS 41 1HE LYS 41 -1.544 -5.597 14.097 324 1HZ LYS 41 3HZ LYS 41 -1.440 -6.935 16.283 325 2HZ LYS 41 2HZ LYS 41 0.155 -7.265 15.828 326 3HZ LYS 41 1HZ LYS 41 -0.346 -5.665 16.046 327 H ILE 42 H ILE 42 -6.486 -6.650 10.343 328 HA ILE 42 HA ILE 42 -8.700 -7.883 11.762 329 HB ILE 42 HB ILE 42 -10.012 -6.040 11.090 330 1HG1 ILE 42 2HG1 ILE 42 -8.098 -4.700 9.333 331 2HG1 ILE 42 1HG1 ILE 42 -8.648 -6.242 8.694 332 1HG2 ILE 42 1HG2 ILE 42 -7.172 -5.231 11.652 333 2HG2 ILE 42 3HG2 ILE 42 -8.489 -4.060 11.566 334 3HG2 ILE 42 2HG2 ILE 42 -8.526 -5.341 12.779 335 1HD1 ILE 42 3HD1 ILE 42 -11.008 -5.241 9.385 336 2HD1 ILE 42 2HD1 ILE 42 -10.138 -3.729 9.128 337 3HD1 ILE 42 1HD1 ILE 42 -10.255 -4.911 7.825 338 H GLY 43 H GLY 43 -7.172 -8.127 8.740 339 1HA GLY 43 1HA GLY 43 -9.572 -9.347 7.533 340 2HA GLY 43 2HA GLY 43 -8.031 -10.196 7.542 341 H PHE 44 H PHE 44 -6.930 -7.250 7.204 342 HA PHE 44 HA PHE 44 -7.665 -6.686 4.472 343 1HB PHE 44 2HB PHE 44 -7.002 -4.980 6.289 344 2HB PHE 44 1HB PHE 44 -5.343 -5.445 5.929 345 HD1 PHE 44 HD1 PHE 44 -6.950 -5.829 2.930 346 HD2 PHE 44 HD2 PHE 44 -5.690 -2.753 5.588 347 HE1 PHE 44 HE1 PHE 44 -6.916 -4.233 1.060 348 HE2 PHE 44 HE2 PHE 44 -5.655 -1.151 3.720 349 HZ PHE 44 HZ PHE 44 -6.268 -1.890 1.454 350 H HIS 45 H HIS 45 -6.817 -7.642 2.764 351 HA HIS 45 HA HIS 45 -4.010 -8.498 2.838 352 1HB HIS 45 2HB HIS 45 -5.373 -10.486 3.289 353 2HB HIS 45 1HB HIS 45 -6.321 -10.180 1.839 354 HD1 HIS 45 HD1 HIS 45 -4.631 -12.794 2.413 355 HD2 HIS 45 HD2 HIS 45 -3.479 -9.616 -0.004 356 HE1 HIS 45 HE1 HIS 45 -2.942 -13.745 0.810 357 HE2 HIS 45 HE2 HIS 45 -2.322 -11.824 -0.695 358 H VAL 46 H VAL 46 -2.896 -7.882 1.087 359 HA VAL 46 HA VAL 46 -4.306 -7.447 -1.434 360 HB VAL 46 HB VAL 46 -2.357 -5.330 -0.667 361 1HG1 VAL 46 1HG1 VAL 46 -4.066 -5.843 -2.810 362 2HG1 VAL 46 3HG1 VAL 46 -4.804 -4.497 -1.940 363 3HG1 VAL 46 2HG1 VAL 46 -3.140 -4.372 -2.513 364 1HG2 VAL 46 2HG2 VAL 46 -5.198 -5.434 0.334 365 2HG2 VAL 46 1HG2 VAL 46 -3.726 -5.353 1.302 366 3HG2 VAL 46 3HG2 VAL 46 -4.206 -3.975 0.309 367 H CYS 47 H CYS 47 -3.250 -8.921 -2.632 368 HA CYS 47 HA CYS 47 -0.448 -9.444 -2.357 369 1HB CYS 47 2HB CYS 47 -2.638 -10.754 -3.513 370 2HB CYS 47 1HB CYS 47 -1.573 -10.366 -4.862 371 H ALA 48 H ALA 48 -0.055 -7.018 -2.635 372 HA ALA 48 HA ALA 48 1.256 -6.580 -5.091 373 1HB ALA 48 3HB ALA 48 -1.056 -6.291 -5.904 374 2HB ALA 48 1HB ALA 48 -0.097 -4.818 -6.048 375 3HB ALA 48 2HB ALA 48 -1.277 -4.977 -4.748 376 H ALA 49 H ALA 49 2.727 -4.958 -4.887 377 HA ALA 49 HA ALA 49 3.373 -3.949 -2.384 378 1HB ALA 49 3HB ALA 49 5.222 -3.437 -3.495 379 2HB ALA 49 2HB ALA 49 4.404 -3.759 -5.024 380 3HB ALA 49 1HB ALA 49 4.366 -2.140 -4.327 381 H GLY 50 H GLY 50 2.169 -2.639 -1.168 382 1HA GLY 50 2HA GLY 50 0.235 -1.195 -0.961 383 2HA GLY 50 1HA GLY 50 0.663 -0.486 -2.509 384 H TRP 51 H TRP 51 1.629 1.426 -2.445 385 HA TRP 51 HA TRP 51 3.779 2.204 -0.948 386 1HB TRP 51 2HB TRP 51 1.524 3.767 -2.161 387 2HB TRP 51 1HB TRP 51 2.772 4.590 -1.230 388 HD1 TRP 51 HD1 TRP 51 2.053 3.278 -4.631 389 HE1 TRP 51 HE1 TRP 51 4.153 3.486 -6.119 390 HE3 TRP 51 HE3 TRP 51 5.502 4.374 -1.023 391 HZ2 TRP 51 HZ2 TRP 51 6.906 4.044 -5.796 392 HZ3 TRP 51 HZ3 TRP 51 7.843 4.732 -1.689 393 HH2 TRP 51 HH2 TRP 51 8.529 4.570 -4.027 394 H MET 52 H MET 52 4.076 3.495 0.906 395 HA MET 52 HA MET 52 1.987 4.230 2.663 396 1HB MET 52 2HB MET 52 3.088 2.481 4.441 397 2HB MET 52 1HB MET 52 1.583 2.209 3.575 398 1HG MET 52 2HG MET 52 2.799 0.972 1.855 399 2HG MET 52 1HG MET 52 4.303 1.236 2.736 400 1HE MET 52 2HE MET 52 5.291 -0.310 3.571 401 2HE MET 52 1HE MET 52 4.809 -1.051 5.097 402 3HE MET 52 3HE MET 52 4.685 -1.966 3.594 403 H ALA 53 H ALA 53 2.967 4.694 4.942 404 HA ALA 53 HA ALA 53 4.384 6.029 6.122 405 1HB ALA 53 2HB ALA 53 6.405 5.089 6.519 406 2HB ALA 53 3HB ALA 53 6.766 4.870 4.806 407 3HB ALA 53 1HB ALA 53 5.671 3.756 5.626 408 H LYS 54 H LYS 54 6.841 7.124 5.606 409 HA LYS 54 HA LYS 54 6.164 9.368 4.037 410 1HB LYS 54 2HB LYS 54 8.242 8.616 5.824 411 2HB LYS 54 1HB LYS 54 8.995 9.200 4.348 412 1HG LYS 54 2HG LYS 54 6.812 10.898 5.241 413 2HG LYS 54 1HG LYS 54 8.099 10.745 6.436 414 1HD LYS 54 2HD LYS 54 9.657 11.755 5.094 415 2HD LYS 54 1HD LYS 54 8.854 11.256 3.604 416 1HE LYS 54 2HE LYS 54 6.974 12.881 4.686 417 2HE LYS 54 1HE LYS 54 8.454 13.650 5.261 418 1HZ LYS 54 2HZ LYS 54 9.024 13.183 2.677 419 2HZ LYS 54 1HZ LYS 54 7.368 13.514 2.593 420 3HZ LYS 54 3HZ LYS 54 8.425 14.646 3.277 421 H GLY 55 H GLY 55 6.886 6.366 2.958 422 1HA GLY 55 1HA GLY 55 8.592 7.168 0.736 423 2HA GLY 55 2HA GLY 55 6.937 6.731 0.323 424 H ARG 56 H ARG 56 7.178 4.815 2.759 425 HA ARG 56 HA ARG 56 8.936 2.783 1.629 426 1HB ARG 56 2HB ARG 56 7.851 3.382 4.255 427 2HB ARG 56 1HB ARG 56 7.622 1.691 3.835 428 1HG ARG 56 2HG ARG 56 10.017 1.479 3.386 429 2HG ARG 56 1HG ARG 56 10.243 3.175 3.823 430 1HD ARG 56 2HD ARG 56 8.999 2.382 6.024 431 2HD ARG 56 1HD ARG 56 9.667 0.823 5.545 432 HE ARG 56 HE ARG 56 11.479 3.108 5.700 433 1HH1 ARG 56 2HH1 ARG 56 10.318 0.114 7.047 434 2HH1 ARG 56 1HH1 ARG 56 11.691 -0.104 8.079 435 1HH2 ARG 56 2HH2 ARG 56 13.291 2.833 7.053 436 2HH2 ARG 56 1HH2 ARG 56 13.382 1.442 8.083 437 H VAL 57 H VAL 57 8.234 1.192 0.366 438 HA VAL 57 HA VAL 57 5.338 0.634 0.316 439 HB VAL 57 HB VAL 57 5.514 1.259 -1.837 440 1HG1 VAL 57 2HG1 VAL 57 8.457 0.817 -1.496 441 2HG1 VAL 57 1HG1 VAL 57 7.759 1.133 -3.084 442 3HG1 VAL 57 3HG1 VAL 57 7.585 2.321 -1.792 443 1HG2 VAL 57 3HG2 VAL 57 5.456 -1.345 -1.747 444 2HG2 VAL 57 2HG2 VAL 57 5.695 -0.523 -3.289 445 3HG2 VAL 57 1HG2 VAL 57 7.074 -1.216 -2.436 446 H GLY 58 H GLY 58 4.719 -1.350 0.869 447 1HA GLY 58 2HA GLY 58 5.719 -3.307 2.136 448 2HA GLY 58 1HA GLY 58 6.697 -3.536 0.694 449 H TYR 59 H TYR 59 5.216 -5.628 1.550 450 HA TYR 59 HA TYR 59 2.761 -5.635 -0.048 451 1HB TYR 59 2HB TYR 59 4.260 -8.122 -0.354 452 2HB TYR 59 1HB TYR 59 3.459 -7.134 -1.572 453 HD1 TYR 59 HD1 TYR 59 4.705 -4.976 -2.305 454 HD2 TYR 59 HD2 TYR 59 6.581 -8.225 -0.300 455 HE1 TYR 59 HE1 TYR 59 6.891 -4.219 -3.138 456 HE2 TYR 59 HE2 TYR 59 8.773 -7.478 -1.128 457 HH TYR 59 HH TYR 59 9.064 -4.705 -3.316 458 HA PRO 60 HA PRO 60 1.970 -7.767 3.911 459 1HB PRO 60 2HB PRO 60 -0.516 -6.792 4.261 460 2HB PRO 60 1HB PRO 60 0.927 -5.859 4.667 461 1HG PRO 60 2HG PRO 60 -0.860 -5.653 2.289 462 2HG PRO 60 1HG PRO 60 -0.059 -4.368 3.206 463 1HD PRO 60 2HD PRO 60 0.839 -5.377 0.798 464 2HD PRO 60 1HD PRO 60 1.858 -4.538 1.983 465 H ILE 61 H ILE 61 1.378 -9.840 3.836 466 HA ILE 61 HA ILE 61 -1.001 -10.590 2.286 467 HB ILE 61 HB ILE 61 1.564 -12.182 2.243 468 1HG1 ILE 61 2HG1 ILE 61 1.703 -10.007 1.005 469 2HG1 ILE 61 1HG1 ILE 61 1.896 -11.429 -0.016 470 1HG2 ILE 61 2HG2 ILE 61 -0.687 -13.352 2.017 471 2HG2 ILE 61 1HG2 ILE 61 -0.835 -12.517 0.470 472 3HG2 ILE 61 3HG2 ILE 61 0.499 -13.639 0.743 473 1HD1 ILE 61 3HD1 ILE 61 -0.782 -11.001 -0.182 474 2HD1 ILE 61 2HD1 ILE 61 -0.160 -9.356 -0.045 475 3HD1 ILE 61 1HD1 ILE 61 0.416 -10.411 -1.336 476 H VAL 62 H VAL 62 -2.306 -11.090 3.972 477 HA VAL 62 HA VAL 62 -1.387 -12.449 6.314 478 HB VAL 62 HB VAL 62 -4.208 -12.734 6.068 479 1HG1 VAL 62 1HG1 VAL 62 -2.235 -11.584 7.839 480 2HG1 VAL 62 3HG1 VAL 62 -3.688 -10.589 7.758 481 3HG1 VAL 62 2HG1 VAL 62 -3.809 -12.289 8.211 482 1HG2 VAL 62 3HG2 VAL 62 -4.012 -11.036 4.274 483 2HG2 VAL 62 2HG2 VAL 62 -4.940 -10.476 5.665 484 3HG2 VAL 62 1HG2 VAL 62 -3.276 -9.936 5.439 485 H LYS 63 H LYS 63 -2.386 -13.448 3.211 486 HA LYS 63 HA LYS 63 -2.620 -16.227 4.158 487 1HB LYS 63 2HB LYS 63 -4.288 -14.665 2.292 488 2HB LYS 63 1HB LYS 63 -3.876 -16.285 1.752 489 1HG LYS 63 2HG LYS 63 -4.647 -16.685 4.359 490 2HG LYS 63 1HG LYS 63 -5.743 -15.419 3.801 491 1HD LYS 63 2HD LYS 63 -5.488 -17.393 1.756 492 2HD LYS 63 1HD LYS 63 -5.864 -18.196 3.281 493 1HE LYS 63 2HE LYS 63 -7.924 -17.261 3.426 494 2HE LYS 63 1HE LYS 63 -7.419 -15.764 2.646 495 1HZ LYS 63 3HZ LYS 63 -7.217 -17.460 0.614 496 2HZ LYS 63 2HZ LYS 63 -8.474 -18.201 1.470 497 3HZ LYS 63 1HZ LYS 63 -8.630 -16.595 0.961 498 HA PRO 64 HA PRO 64 1.284 -16.088 1.732 499 1HB PRO 64 2HB PRO 64 1.313 -18.824 2.901 500 2HB PRO 64 1HB PRO 64 2.599 -17.618 2.829 501 1HG PRO 64 2HG PRO 64 1.286 -18.102 5.101 502 2HG PRO 64 1HG PRO 64 1.804 -16.465 4.667 503 1HD PRO 64 2HD PRO 64 -0.916 -17.677 4.594 504 2HD PRO 64 1HD PRO 64 -0.431 -16.001 4.929 505 H GLY 65 H GLY 65 1.355 -16.592 -0.363 506 1HA GLY 65 2HA GLY 65 -0.020 -17.416 -2.232 507 2HA GLY 65 1HA GLY 65 -0.261 -18.883 -1.297 508 HA PRO 66 HA PRO 66 3.088 -20.662 -3.550 509 1HB PRO 66 2HB PRO 66 2.564 -20.456 -6.213 510 2HB PRO 66 1HB PRO 66 1.704 -21.565 -5.141 511 1HG PRO 66 2HG PRO 66 0.871 -18.871 -6.148 512 2HG PRO 66 1HG PRO 66 -0.089 -20.354 -5.992 513 1HD PRO 66 2HD PRO 66 -0.227 -18.341 -4.191 514 2HD PRO 66 1HD PRO 66 -0.433 -20.044 -3.731 515 H ASN 67 H ASN 67 2.500 -18.314 -6.122 516 HA ASN 67 HA ASN 67 5.257 -17.366 -5.800 517 1HB ASN 67 2HB ASN 67 4.156 -16.284 -8.155 518 2HB ASN 67 1HB ASN 67 5.323 -17.598 -8.023 519 1HD2 ASN 67 2HD2 ASN 67 1.923 -16.809 -8.264 520 2HD2 ASN 67 1HD2 ASN 67 1.413 -18.350 -8.854 521 H CYS 68 H CYS 68 1.984 -16.386 -5.457 522 HA CYS 68 HA CYS 68 2.196 -13.621 -5.829 523 1HB CYS 68 2HB CYS 68 0.143 -15.254 -5.277 524 2HB CYS 68 1HB CYS 68 0.421 -14.610 -3.662 525 H GLY 69 H GLY 69 1.651 -14.922 -2.595 526 1HA GLY 69 1HA GLY 69 2.343 -14.034 -0.564 527 2HA GLY 69 2HA GLY 69 3.228 -12.795 -1.443 528 H PHE 70 H PHE 70 3.922 -15.867 -2.622 529 HA PHE 70 HA PHE 70 5.749 -17.217 -2.517 530 1HB PHE 70 2HB PHE 70 6.709 -14.629 -2.470 531 2HB PHE 70 1HB PHE 70 7.506 -15.368 -1.086 532 HD1 PHE 70 HD1 PHE 70 6.701 -16.278 -4.618 533 HD2 PHE 70 HD2 PHE 70 9.572 -16.256 -1.476 534 HE1 PHE 70 HE1 PHE 70 8.351 -17.312 -6.123 535 HE2 PHE 70 HE2 PHE 70 11.227 -17.288 -2.975 536 HZ PHE 70 HZ PHE 70 10.617 -17.818 -5.302 537 H GLY 71 H GLY 71 3.863 -17.202 -0.310 538 1HA GLY 71 1HA GLY 71 5.259 -18.879 1.487 539 2HA GLY 71 2HA GLY 71 3.634 -18.247 1.725 540 H LYS 72 H LYS 72 4.745 -15.455 1.418 541 HA LYS 72 HA LYS 72 6.385 -15.175 3.805 542 1HB LYS 72 2HB LYS 72 5.466 -13.288 1.654 543 2HB LYS 72 1HB LYS 72 6.159 -12.677 3.151 544 1HG LYS 72 2HG LYS 72 8.251 -13.494 2.679 545 2HG LYS 72 1HG LYS 72 7.635 -14.761 1.615 546 1HD LYS 72 2HD LYS 72 7.224 -13.223 -0.135 547 2HD LYS 72 1HD LYS 72 7.448 -11.836 0.933 548 1HE LYS 72 2HE LYS 72 9.569 -13.786 0.044 549 2HE LYS 72 1HE LYS 72 9.393 -12.112 -0.482 550 1HZ LYS 72 2HZ LYS 72 9.491 -12.005 2.262 551 2HZ LYS 72 1HZ LYS 72 10.672 -13.140 1.840 552 3HZ LYS 72 3HZ LYS 72 10.728 -11.578 1.190 553 H THR 73 H THR 73 5.796 -13.876 5.595 554 HA THR 73 HA THR 73 2.896 -13.467 5.908 555 HB THR 73 HB THR 73 3.747 -13.821 8.472 556 HG1 THR 73 HG1 THR 73 4.922 -16.048 7.334 557 1HG2 THR 73 2HG2 THR 73 1.755 -14.808 7.421 558 2HG2 THR 73 1HG2 THR 73 2.781 -15.985 6.601 559 3HG2 THR 73 3HG2 THR 73 2.655 -15.998 8.361 560 H GLY 74 H GLY 74 2.274 -11.503 6.575 561 1HA GLY 74 2HA GLY 74 4.177 -9.786 7.989 562 2HA GLY 74 1HA GLY 74 2.446 -9.510 7.836 563 H ILE 75 H ILE 75 3.866 -7.351 7.410 564 HA ILE 75 HA ILE 75 3.437 -6.801 4.616 565 HB ILE 75 HB ILE 75 4.712 -4.894 6.546 566 1HG1 ILE 75 2HG1 ILE 75 2.226 -6.177 6.961 567 2HG1 ILE 75 1HG1 ILE 75 2.903 -4.821 7.853 568 1HG2 ILE 75 3HG2 ILE 75 4.292 -4.567 3.970 569 2HG2 ILE 75 2HG2 ILE 75 2.665 -4.160 4.519 570 3HG2 ILE 75 1HG2 ILE 75 4.051 -3.245 5.114 571 1HD1 ILE 75 1HD1 ILE 75 1.882 -3.296 6.177 572 2HD1 ILE 75 3HD1 ILE 75 1.086 -4.699 5.465 573 3HD1 ILE 75 2HD1 ILE 75 0.721 -4.225 7.125 574 H ILE 76 H ILE 76 5.014 -8.016 3.534 575 HA ILE 76 HA ILE 76 7.758 -8.006 4.147 576 HB ILE 76 HB ILE 76 6.634 -8.343 1.371 577 1HG1 ILE 76 2HG1 ILE 76 5.294 -9.746 2.805 578 2HG1 ILE 76 1HG1 ILE 76 6.445 -10.771 1.952 579 1HG2 ILE 76 2HG2 ILE 76 9.207 -8.802 2.666 580 2HG2 ILE 76 1HG2 ILE 76 8.619 -10.190 1.753 581 3HG2 ILE 76 3HG2 ILE 76 8.811 -8.629 0.957 582 1HD1 ILE 76 1HD1 ILE 76 6.776 -9.790 4.776 583 2HD1 ILE 76 3HD1 ILE 76 6.177 -11.382 4.313 584 3HD1 ILE 76 2HD1 ILE 76 7.831 -10.914 3.917 585 H ASP 77 H ASP 77 8.274 -5.813 4.586 586 HA ASP 77 HA ASP 77 8.516 -4.130 2.180 587 1HB ASP 77 2HB ASP 77 7.084 -2.946 3.613 588 2HB ASP 77 1HB ASP 77 7.980 -3.418 5.052 589 H TYR 78 H TYR 78 10.470 -3.283 1.667 590 HA TYR 78 HA TYR 78 12.732 -4.068 3.381 591 1HB TYR 78 2HB TYR 78 12.792 -3.533 0.405 592 2HB TYR 78 1HB TYR 78 14.098 -4.185 1.390 593 HD1 TYR 78 HD1 TYR 78 10.521 -4.973 0.610 594 HD2 TYR 78 HD2 TYR 78 14.454 -6.455 1.267 595 HE1 TYR 78 HE1 TYR 78 9.733 -7.254 0.139 596 HE2 TYR 78 HE2 TYR 78 13.678 -8.740 0.799 597 HH TYR 78 HH TYR 78 11.906 -9.897 -0.289 598 H GLY 79 H GLY 79 11.093 -1.615 3.546 599 1HA GLY 79 2HA GLY 79 13.211 0.256 3.879 600 2HA GLY 79 1HA GLY 79 11.489 0.600 4.032 601 H ILE 80 H ILE 80 12.290 2.652 2.988 602 HA ILE 80 HA ILE 80 11.412 2.805 0.353 603 HB ILE 80 HB ILE 80 13.358 4.749 1.563 604 1HG1 ILE 80 2HG1 ILE 80 10.404 4.435 2.105 605 2HG1 ILE 80 1HG1 ILE 80 11.717 4.314 3.265 606 1HG2 ILE 80 2HG2 ILE 80 11.932 4.682 -0.849 607 2HG2 ILE 80 1HG2 ILE 80 11.118 5.874 0.164 608 3HG2 ILE 80 3HG2 ILE 80 12.842 6.034 -0.176 609 1HD1 ILE 80 1HD1 ILE 80 11.901 6.851 2.036 610 2HD1 ILE 80 3HD1 ILE 80 10.224 6.596 2.514 611 3HD1 ILE 80 2HD1 ILE 80 11.511 6.463 3.712 612 H ARG 81 H ARG 81 12.464 3.067 -1.602 613 HA ARG 81 HA ARG 81 15.246 2.092 -1.657 614 1HB ARG 81 2HB ARG 81 13.304 1.838 -3.942 615 2HB ARG 81 1HB ARG 81 14.811 0.968 -3.688 616 1HG ARG 81 2HG ARG 81 12.819 0.581 -1.576 617 2HG ARG 81 1HG ARG 81 12.339 -0.017 -3.165 618 1HD ARG 81 2HD ARG 81 14.969 -0.674 -1.854 619 2HD ARG 81 1HD ARG 81 13.530 -1.684 -1.720 620 HE ARG 81 HE ARG 81 14.916 -1.101 -4.257 621 1HH1 ARG 81 1HH1 ARG 81 13.038 -3.192 -2.199 622 2HH1 ARG 81 2HH1 ARG 81 13.017 -4.503 -3.331 623 1HH2 ARG 81 1HH2 ARG 81 14.893 -2.820 -5.755 624 2HH2 ARG 81 2HH2 ARG 81 14.072 -4.291 -5.353 625 H LEU 82 H LEU 82 14.118 4.883 -1.519 626 HA LEU 82 HA LEU 82 14.368 6.930 -2.513 627 1HB LEU 82 2HB LEU 82 16.877 5.551 -2.405 628 2HB LEU 82 1HB LEU 82 16.839 6.606 -3.798 629 HG LEU 82 HG LEU 82 17.705 7.438 -1.439 630 1HD1 LEU 82 2HD1 LEU 82 16.030 9.038 -3.366 631 2HD1 LEU 82 1HD1 LEU 82 17.069 9.737 -2.124 632 3HD1 LEU 82 3HD1 LEU 82 17.774 8.781 -3.426 633 1HD2 LEU 82 1HD2 LEU 82 14.726 7.876 -1.328 634 2HD2 LEU 82 3HD2 LEU 82 15.730 7.005 -0.167 635 3HD2 LEU 82 2HD2 LEU 82 15.891 8.753 -0.336 636 H ASN 83 H ASN 83 12.688 5.641 -4.076 637 HA ASN 83 HA ASN 83 13.190 6.748 -6.654 638 1HB ASN 83 2HB ASN 83 13.127 4.681 -7.954 639 2HB ASN 83 1HB ASN 83 14.505 4.670 -6.857 640 1HD2 ASN 83 2HD2 ASN 83 12.993 2.482 -8.136 641 2HD2 ASN 83 1HD2 ASN 83 12.492 1.457 -6.839 642 H ARG 84 H ARG 84 11.215 7.571 -5.300 643 HA ARG 84 HA ARG 84 8.859 6.093 -5.120 644 1HB ARG 84 2HB ARG 84 8.859 9.037 -5.718 645 2HB ARG 84 1HB ARG 84 7.768 8.122 -4.690 646 1HG ARG 84 2HG ARG 84 8.967 8.760 -2.949 647 2HG ARG 84 1HG ARG 84 10.300 7.781 -3.566 648 1HD ARG 84 2HD ARG 84 11.389 9.580 -4.469 649 2HD ARG 84 1HD ARG 84 9.902 10.496 -4.711 650 HE ARG 84 HE ARG 84 11.529 10.405 -2.313 651 1HH1 ARG 84 2HH1 ARG 84 8.489 11.298 -3.760 652 2HH1 ARG 84 1HH1 ARG 84 8.091 12.445 -2.525 653 1HH2 ARG 84 1HH2 ARG 84 11.014 11.911 -0.682 654 2HH2 ARG 84 2HH2 ARG 84 9.526 12.794 -0.775 655 H SER 85 H SER 85 10.516 6.827 -7.870 656 HA SER 85 HA SER 85 8.271 7.373 -9.600 657 1HB SER 85 2HB SER 85 10.911 7.933 -9.817 658 2HB SER 85 1HB SER 85 10.825 6.465 -10.791 659 HG SER 85 HG SER 85 8.761 8.038 -11.412 660 H GLU 86 H GLU 86 8.629 4.803 -7.958 661 HA GLU 86 HA GLU 86 8.846 2.724 -9.928 662 1HB GLU 86 2HB GLU 86 8.266 2.848 -7.000 663 2HB GLU 86 1HB GLU 86 7.842 1.388 -7.882 664 1HG GLU 86 2HG GLU 86 10.533 2.314 -8.465 665 2HG GLU 86 1HG GLU 86 10.280 1.959 -6.756 666 H ARG 87 H ARG 87 6.869 0.962 -9.445 667 HA ARG 87 HA ARG 87 4.341 2.383 -9.834 668 1HB ARG 87 2HB ARG 87 3.836 0.691 -11.687 669 2HB ARG 87 1HB ARG 87 4.886 2.045 -12.075 670 1HG ARG 87 2HG ARG 87 6.373 0.597 -12.833 671 2HG ARG 87 1HG ARG 87 6.584 0.016 -11.180 672 1HD ARG 87 2HD ARG 87 5.888 -1.960 -11.950 673 2HD ARG 87 1HD ARG 87 4.277 -1.241 -11.978 674 HE ARG 87 HE ARG 87 5.223 -0.530 -14.374 675 1HH1 ARG 87 1HH1 ARG 87 5.242 -3.587 -12.709 676 2HH1 ARG 87 2HH1 ARG 87 5.186 -4.528 -14.162 677 1HH2 ARG 87 1HH2 ARG 87 5.147 -1.757 -16.296 678 2HH2 ARG 87 2HH2 ARG 87 5.133 -3.486 -16.202 679 H TRP 88 H TRP 88 3.040 1.656 -8.339 680 HA TRP 88 HA TRP 88 2.552 -1.185 -8.040 681 1HB TRP 88 2HB TRP 88 3.146 0.365 -5.530 682 2HB TRP 88 1HB TRP 88 3.046 -1.377 -5.748 683 HD1 TRP 88 HD1 TRP 88 5.487 1.436 -5.665 684 HE1 TRP 88 HE1 TRP 88 7.850 0.565 -6.200 685 HE3 TRP 88 HE3 TRP 88 4.271 -3.239 -7.336 686 HZ2 TRP 88 HZ2 TRP 88 9.040 -1.793 -7.198 687 HZ3 TRP 88 HZ3 TRP 88 6.080 -4.741 -8.061 688 HH2 TRP 88 HH2 TRP 88 8.416 -4.030 -7.993 689 H ASP 89 H ASP 89 1.132 -0.860 -5.550 690 HA ASP 89 HA ASP 89 -1.214 0.551 -6.578 691 1HB ASP 89 2HB ASP 89 -1.752 -0.804 -4.116 692 2HB ASP 89 1HB ASP 89 -2.370 -1.161 -5.726 693 H ALA 90 H ALA 90 -2.594 1.155 -4.336 694 HA ALA 90 HA ALA 90 -0.846 2.772 -2.638 695 1HB ALA 90 3HB ALA 90 -1.517 4.202 -4.535 696 2HB ALA 90 1HB ALA 90 -2.130 4.788 -2.989 697 3HB ALA 90 2HB ALA 90 -3.207 3.945 -4.103 698 H TYR 91 H TYR 91 -1.576 2.982 -0.563 699 HA TYR 91 HA TYR 91 -4.093 1.622 0.073 700 1HB TYR 91 2HB TYR 91 -1.581 2.185 1.621 701 2HB TYR 91 1HB TYR 91 -3.080 1.815 2.461 702 HD1 TYR 91 HD1 TYR 91 -4.325 -0.369 1.445 703 HD2 TYR 91 HD2 TYR 91 -0.149 0.433 1.244 704 HE1 TYR 91 HE1 TYR 91 -3.883 -2.767 1.157 705 HE2 TYR 91 HE2 TYR 91 0.302 -1.966 0.956 706 HH TYR 91 HH TYR 91 -1.512 -4.068 -0.059 707 H CYS 92 H CYS 92 -5.812 2.841 0.520 708 HA CYS 92 HA CYS 92 -5.411 5.663 1.148 709 1HB CYS 92 2HB CYS 92 -7.660 4.050 0.035 710 2HB CYS 92 1HB CYS 92 -8.038 5.555 0.865 711 H TYR 93 H TYR 93 -6.344 6.687 2.910 712 HA TYR 93 HA TYR 93 -7.537 4.992 4.978 713 1HB TYR 93 2HB TYR 93 -5.104 5.227 5.456 714 2HB TYR 93 1HB TYR 93 -5.316 6.974 5.517 715 HD1 TYR 93 HD1 TYR 93 -6.890 7.930 7.268 716 HD2 TYR 93 HD2 TYR 93 -5.511 3.904 7.361 717 HE1 TYR 93 HE1 TYR 93 -7.490 7.790 9.647 718 HE2 TYR 93 HE2 TYR 93 -6.107 3.752 9.743 719 HH TYR 93 HH TYR 93 -7.996 5.200 11.266 720 H ASN 94 H ASN 94 -9.196 5.913 6.021 721 HA ASN 94 HA ASN 94 -9.487 8.783 6.162 722 1HB ASN 94 2HB ASN 94 -11.020 7.117 4.261 723 2HB ASN 94 1HB ASN 94 -11.968 8.258 5.209 724 1HD2 ASN 94 2HD2 ASN 94 -11.903 8.559 2.548 725 2HD2 ASN 94 1HD2 ASN 94 -10.960 9.939 2.109 726 HA PRO 95 HA PRO 95 -11.172 7.740 10.109 727 1HB PRO 95 2HB PRO 95 -12.986 10.042 9.545 728 2HB PRO 95 1HB PRO 95 -11.990 9.717 10.970 729 1HG PRO 95 2HG PRO 95 -11.246 11.537 9.168 730 2HG PRO 95 1HG PRO 95 -10.054 10.488 9.958 731 1HD PRO 95 2HD PRO 95 -11.136 10.379 7.187 732 2HD PRO 95 1HD PRO 95 -9.525 9.944 7.790 733 H HIS 96 H HIS 96 -13.257 8.434 7.363 734 HA HIS 96 HA HIS 96 -15.233 6.528 8.433 735 1HB HIS 96 2HB HIS 96 -15.558 9.126 7.004 736 2HB HIS 96 1HB HIS 96 -16.733 7.856 6.679 737 HD1 HIS 96 HD1 HIS 96 -18.752 8.357 8.006 738 HD2 HIS 96 HD2 HIS 96 -15.273 9.093 10.156 739 HE1 HIS 96 HE1 HIS 96 -19.513 9.044 10.303 740 HE2 HIS 96 HE2 HIS 96 -17.394 9.566 11.560 741 H ALA 97 H ALA 97 -13.423 7.633 5.644 742 HA ALA 97 HA ALA 97 -13.371 6.827 3.464 743 1HB ALA 97 1HB ALA 97 -11.536 5.657 4.055 744 2HB ALA 97 2HB ALA 97 -12.589 4.270 3.774 745 3HB ALA 97 3HB ALA 97 -12.343 4.872 5.413 746 H LYS 98 H LYS 98 -15.808 7.022 3.324 747 HA LYS 98 HA LYS 98 -17.073 4.377 3.081 748 1HB LYS 98 2HB LYS 98 -18.115 6.144 4.582 749 2HB LYS 98 1HB LYS 98 -18.484 7.044 3.116 750 1HG LYS 98 2HG LYS 98 -19.538 4.683 2.441 751 2HG LYS 98 1HG LYS 98 -19.709 4.584 4.195 752 1HD LYS 98 2HD LYS 98 -20.497 7.189 3.317 753 2HD LYS 98 1HD LYS 98 -21.346 5.972 2.363 754 1HE LYS 98 2HE LYS 98 -22.723 6.359 4.225 755 2HE LYS 98 1HE LYS 98 -21.894 4.842 4.573 756 1HZ LYS 98 2HZ LYS 98 -20.311 6.086 5.938 757 2HZ LYS 98 1HZ LYS 98 -21.165 7.516 5.640 758 3HZ LYS 98 3HZ LYS 98 -21.895 6.258 6.506 No H/Q in entry = 758 Start of MODEL 5 1 H1 GLY 1 2H GLY 1 -12.537 2.795 6.378 2 H2 GLY 1 1H GLY 1 -13.073 2.640 7.974 3 H3 GLY 1 3H GLY 1 -12.750 4.173 7.335 4 1HA GLY 1 2HA GLY 1 -10.927 2.172 8.391 5 2HA GLY 1 1HA GLY 1 -10.810 3.925 8.428 6 H VAL 2 H VAL 2 -8.901 1.724 7.638 7 HA VAL 2 HA VAL 2 -7.917 3.054 5.249 8 HB VAL 2 HB VAL 2 -6.193 2.728 6.783 9 1HG1 VAL 2 1HG1 VAL 2 -7.739 0.771 7.859 10 2HG1 VAL 2 3HG1 VAL 2 -6.413 -0.167 7.173 11 3HG1 VAL 2 2HG1 VAL 2 -6.076 1.116 8.336 12 1HG2 VAL 2 1HG2 VAL 2 -5.938 1.682 4.351 13 2HG2 VAL 2 3HG2 VAL 2 -4.637 1.638 5.541 14 3HG2 VAL 2 2HG2 VAL 2 -5.659 0.221 5.298 15 H TYR 3 H TYR 3 -7.734 2.159 3.254 16 HA TYR 3 HA TYR 3 -8.366 -0.666 2.886 17 1HB TYR 3 2HB TYR 3 -9.948 -0.075 1.019 18 2HB TYR 3 1HB TYR 3 -10.535 0.313 2.631 19 HD1 TYR 3 HD1 TYR 3 -10.436 2.708 3.417 20 HD2 TYR 3 HD2 TYR 3 -9.714 1.600 -0.627 21 HE1 TYR 3 HE1 TYR 3 -10.837 5.031 2.715 22 HE2 TYR 3 HE2 TYR 3 -10.112 3.919 -1.340 23 HH TYR 3 HH TYR 3 -11.448 5.938 -0.379 24 H HIS 4 H HIS 4 -8.333 -1.007 0.290 25 HA HIS 4 HA HIS 4 -5.712 0.032 -0.521 26 1HB HIS 4 2HB HIS 4 -5.700 -2.337 -0.508 27 2HB HIS 4 1HB HIS 4 -7.270 -2.428 -1.299 28 HD1 HIS 4 HD1 HIS 4 -7.253 -2.690 -3.776 29 HD2 HIS 4 HD2 HIS 4 -3.588 -1.394 -2.306 30 HE1 HIS 4 HE1 HIS 4 -5.690 -2.724 -5.744 31 HE2 HIS 4 HE2 HIS 4 -3.452 -2.047 -4.806 32 H ARG 5 H ARG 5 -5.379 0.476 -2.835 33 HA ARG 5 HA ARG 5 -7.724 1.132 -4.405 34 1HB ARG 5 2HB ARG 5 -6.052 3.169 -3.045 35 2HB ARG 5 1HB ARG 5 -6.494 3.503 -4.713 36 1HG ARG 5 2HG ARG 5 -8.744 2.605 -3.099 37 2HG ARG 5 1HG ARG 5 -7.998 4.086 -2.496 38 1HD ARG 5 2HD ARG 5 -9.148 5.197 -4.039 39 2HD ARG 5 1HD ARG 5 -8.132 4.426 -5.256 40 HE ARG 5 HE ARG 5 -10.717 3.328 -4.354 41 1HH1 ARG 5 1HH1 ARG 5 -8.345 3.960 -6.825 42 2HH1 ARG 5 2HH1 ARG 5 -9.272 3.217 -8.086 43 1HH2 ARG 5 1HH2 ARG 5 -11.945 2.346 -6.008 44 2HH2 ARG 5 2HH2 ARG 5 -11.317 2.301 -7.622 45 H GLU 6 H GLU 6 -7.303 1.311 -6.596 46 HA GLU 6 HA GLU 6 -4.526 0.734 -7.396 47 1HB GLU 6 2HB GLU 6 -5.850 -1.184 -7.879 48 2HB GLU 6 1HB GLU 6 -7.141 -0.210 -8.565 49 1HG GLU 6 2HG GLU 6 -5.706 0.385 -10.441 50 2HG GLU 6 1HG GLU 6 -4.397 -0.571 -9.746 51 H ALA 7 H ALA 7 -4.207 1.295 -9.816 52 HA ALA 7 HA ALA 7 -4.839 4.117 -10.087 53 1HB ALA 7 3HB ALA 7 -3.166 4.187 -11.780 54 2HB ALA 7 1HB ALA 7 -3.157 2.430 -11.928 55 3HB ALA 7 2HB ALA 7 -2.539 3.194 -10.464 56 H ARG 8 H ARG 8 -5.639 5.025 -12.089 57 HA ARG 8 HA ARG 8 -7.962 3.715 -13.025 58 1HB ARG 8 2HB ARG 8 -6.524 6.238 -13.685 59 2HB ARG 8 1HB ARG 8 -7.694 5.637 -14.851 60 1HG ARG 8 2HG ARG 8 -9.050 6.967 -13.612 61 2HG ARG 8 1HG ARG 8 -9.219 5.463 -12.705 62 1HD ARG 8 2HD ARG 8 -7.505 6.210 -11.135 63 2HD ARG 8 1HD ARG 8 -7.315 7.707 -12.047 64 HE ARG 8 HE ARG 8 -9.366 7.095 -10.151 65 1HH1 ARG 8 2HH1 ARG 8 -8.621 8.937 -13.011 66 2HH1 ARG 8 1HH1 ARG 8 -9.817 10.151 -12.699 67 1HH2 ARG 8 1HH2 ARG 8 -10.944 8.688 -9.730 68 2HH2 ARG 8 2HH2 ARG 8 -11.136 10.009 -10.833 69 H SER 9 H SER 9 -4.681 3.634 -14.028 70 HA SER 9 HA SER 9 -5.321 2.605 -16.678 71 1HB SER 9 2HB SER 9 -2.746 3.322 -15.288 72 2HB SER 9 1HB SER 9 -2.756 2.438 -16.813 73 HG SER 9 HG SER 9 -4.395 4.579 -16.930 74 H GLY 10 H GLY 10 -4.485 1.478 -13.526 75 1HA GLY 10 2HA GLY 10 -3.902 -1.212 -14.563 76 2HA GLY 10 1HA GLY 10 -5.226 -0.997 -13.427 77 H LYS 11 H LYS 11 -3.870 -2.619 -12.249 78 HA LYS 11 HA LYS 11 -2.627 -1.440 -10.044 79 1HB LYS 11 2HB LYS 11 -3.635 -3.716 -10.085 80 2HB LYS 11 1HB LYS 11 -2.263 -4.273 -11.034 81 1HG LYS 11 2HG LYS 11 -0.756 -3.732 -9.201 82 2HG LYS 11 1HG LYS 11 -2.118 -3.135 -8.250 83 1HD LYS 11 2HD LYS 11 -2.195 -5.217 -7.421 84 2HD LYS 11 1HD LYS 11 -2.973 -5.630 -8.951 85 1HE LYS 11 2HE LYS 11 -0.442 -5.843 -9.731 86 2HE LYS 11 1HE LYS 11 -0.208 -6.164 -8.013 87 1HZ LYS 11 3HZ LYS 11 -2.363 -7.596 -9.369 88 2HZ LYS 11 2HZ LYS 11 -0.778 -8.069 -9.721 89 3HZ LYS 11 1HZ LYS 11 -1.338 -8.111 -8.125 90 H TYR 12 H TYR 12 -0.408 -1.655 -9.312 91 HA TYR 12 HA TYR 12 1.816 -1.240 -9.536 92 1HB TYR 12 2HB TYR 12 1.352 -3.183 -11.789 93 2HB TYR 12 1HB TYR 12 2.951 -2.526 -11.456 94 HD1 TYR 12 HD1 TYR 12 1.295 -2.726 -8.397 95 HD2 TYR 12 HD2 TYR 12 3.178 -5.191 -11.309 96 HE1 TYR 12 HE1 TYR 12 1.651 -4.462 -6.690 97 HE2 TYR 12 HE2 TYR 12 3.538 -6.932 -9.611 98 HH TYR 12 HH TYR 12 3.076 -6.363 -6.267 99 H LYS 13 H LYS 13 0.531 0.897 -10.275 100 HA LYS 13 HA LYS 13 2.141 1.970 -12.429 101 1HB LYS 13 2HB LYS 13 -0.835 1.661 -12.612 102 2HB LYS 13 1HB LYS 13 -0.050 3.031 -13.386 103 1HG LYS 13 2HG LYS 13 1.499 1.099 -14.350 104 2HG LYS 13 1HG LYS 13 0.034 0.154 -14.073 105 1HD LYS 13 2HD LYS 13 -0.951 2.412 -15.263 106 2HD LYS 13 1HD LYS 13 0.598 2.205 -16.082 107 1HE LYS 13 2HE LYS 13 -0.305 -0.332 -16.126 108 2HE LYS 13 1HE LYS 13 -1.835 0.542 -16.173 109 1HZ LYS 13 3HZ LYS 13 0.206 1.529 -17.974 110 2HZ LYS 13 2HZ LYS 13 -0.371 -0.019 -18.332 111 3HZ LYS 13 1HZ LYS 13 -1.446 1.283 -18.240 112 H LEU 14 H LEU 14 0.904 2.214 -9.445 113 HA LEU 14 HA LEU 14 0.612 5.136 -9.493 114 1HB LEU 14 2HB LEU 14 -0.312 2.978 -7.655 115 2HB LEU 14 1HB LEU 14 -0.052 4.581 -7.001 116 HG LEU 14 HG LEU 14 -1.763 4.259 -9.430 117 1HD1 LEU 14 1HD1 LEU 14 -2.306 2.725 -7.265 118 2HD1 LEU 14 3HD1 LEU 14 -3.169 4.209 -6.854 119 3HD1 LEU 14 2HD1 LEU 14 -3.527 3.370 -8.363 120 1HD2 LEU 14 3HD2 LEU 14 -1.009 6.477 -8.425 121 2HD2 LEU 14 2HD2 LEU 14 -2.735 6.272 -8.729 122 3HD2 LEU 14 1HD2 LEU 14 -2.102 6.108 -7.091 123 H THR 15 H THR 15 1.987 6.459 -8.464 124 HA THR 15 HA THR 15 4.341 5.224 -7.198 125 HB THR 15 HB THR 15 5.667 6.959 -7.953 126 HG1 THR 15 HG1 THR 15 4.886 8.871 -7.462 127 1HG2 THR 15 2HG2 THR 15 3.947 5.822 -9.834 128 2HG2 THR 15 1HG2 THR 15 3.975 7.542 -10.222 129 3HG2 THR 15 3HG2 THR 15 5.482 6.630 -10.153 130 H TYR 16 H TYR 16 5.196 6.207 -5.272 131 HA TYR 16 HA TYR 16 3.539 6.630 -3.211 132 1HB TYR 16 2HB TYR 16 5.920 6.558 -2.848 133 2HB TYR 16 1HB TYR 16 6.145 8.077 -3.708 134 HD1 TYR 16 HD1 TYR 16 4.358 6.677 -0.741 135 HD2 TYR 16 HD2 TYR 16 6.281 10.045 -2.496 136 HE1 TYR 16 HE1 TYR 16 4.121 7.909 1.374 137 HE2 TYR 16 HE2 TYR 16 6.047 11.285 -0.385 138 HH TYR 16 HH TYR 16 4.822 11.298 1.617 139 H ALA 17 H ALA 17 4.579 9.147 -5.473 140 HA ALA 17 HA ALA 17 3.138 11.239 -4.180 141 1HB ALA 17 2HB ALA 17 4.158 11.141 -7.016 142 2HB ALA 17 1HB ALA 17 3.705 12.582 -6.106 143 3HB ALA 17 3HB ALA 17 5.106 11.633 -5.613 144 H GLU 18 H GLU 18 2.437 9.081 -6.909 145 HA GLU 18 HA GLU 18 -0.005 10.356 -7.624 146 1HB GLU 18 2HB GLU 18 1.062 7.582 -8.180 147 2HB GLU 18 1HB GLU 18 -0.413 8.225 -8.881 148 1HG GLU 18 2HG GLU 18 0.902 10.036 -9.914 149 2HG GLU 18 1HG GLU 18 2.369 9.297 -9.273 150 H ALA 19 H ALA 19 0.825 7.474 -5.753 151 HA ALA 19 HA ALA 19 -1.722 6.610 -5.075 152 1HB ALA 19 3HB ALA 19 -0.306 5.037 -4.337 153 2HB ALA 19 1HB ALA 19 -0.228 5.999 -2.861 154 3HB ALA 19 2HB ALA 19 1.003 6.197 -4.109 155 H LYS 20 H LYS 20 0.424 8.890 -3.408 156 HA LYS 20 HA LYS 20 -1.307 9.434 -1.241 157 1HB LYS 20 2HB LYS 20 1.226 9.917 -1.515 158 2HB LYS 20 1HB LYS 20 0.703 11.390 -2.318 159 1HG LYS 20 2HG LYS 20 -0.698 11.069 0.167 160 2HG LYS 20 1HG LYS 20 1.046 10.968 0.422 161 1HD LYS 20 2HD LYS 20 0.132 13.122 -1.373 162 2HD LYS 20 1HD LYS 20 -0.328 13.288 0.323 163 1HE LYS 20 2HE LYS 20 2.051 12.952 0.946 164 2HE LYS 20 1HE LYS 20 2.461 12.943 -0.767 165 1HZ LYS 20 1HZ LYS 20 1.002 15.219 -0.456 166 2HZ LYS 20 3HZ LYS 20 1.926 15.159 0.961 167 3HZ LYS 20 2HZ LYS 20 2.688 15.129 -0.548 168 H ALA 21 H ALA 21 -1.050 10.678 -4.478 169 HA ALA 21 HA ALA 21 -2.514 13.067 -4.126 170 1HB ALA 21 3HB ALA 21 -2.883 12.887 -6.615 171 2HB ALA 21 2HB ALA 21 -1.201 12.866 -6.084 172 3HB ALA 21 1HB ALA 21 -1.997 11.362 -6.550 173 H VAL 22 H VAL 22 -3.479 9.769 -4.914 174 HA VAL 22 HA VAL 22 -6.199 10.356 -5.451 175 HB VAL 22 HB VAL 22 -4.698 7.842 -4.819 176 1HG1 VAL 22 1HG1 VAL 22 -7.697 8.097 -5.008 177 2HG1 VAL 22 3HG1 VAL 22 -6.811 6.574 -5.085 178 3HG1 VAL 22 2HG1 VAL 22 -6.762 7.550 -3.616 179 1HG2 VAL 22 2HG2 VAL 22 -5.283 9.206 -7.147 180 2HG2 VAL 22 1HG2 VAL 22 -4.738 7.532 -7.027 181 3HG2 VAL 22 3HG2 VAL 22 -6.462 7.894 -7.126 182 H CYS 23 H CYS 23 -4.606 9.000 -2.576 183 HA CYS 23 HA CYS 23 -6.927 8.927 -0.985 184 1HB CYS 23 2HB CYS 23 -4.002 9.039 -0.234 185 2HB CYS 23 1HB CYS 23 -5.302 8.772 0.919 186 H GLU 24 H GLU 24 -4.286 11.299 -1.184 187 HA GLU 24 HA GLU 24 -5.443 13.092 0.698 188 1HB GLU 24 2HB GLU 24 -3.030 13.068 0.176 189 2HB GLU 24 1HB GLU 24 -3.384 13.629 -1.451 190 1HG GLU 24 2HG GLU 24 -4.214 15.718 -0.607 191 2HG GLU 24 1HG GLU 24 -4.047 15.155 1.055 192 H PHE 25 H PHE 25 -6.102 12.374 -2.550 193 HA PHE 25 HA PHE 25 -6.908 14.787 -3.641 194 1HB PHE 25 2HB PHE 25 -6.980 12.167 -4.438 195 2HB PHE 25 1HB PHE 25 -8.692 12.534 -4.257 196 HD1 PHE 25 HD1 PHE 25 -5.584 13.798 -5.848 197 HD2 PHE 25 HD2 PHE 25 -9.833 13.618 -5.952 198 HE1 PHE 25 HE1 PHE 25 -5.571 14.898 -8.048 199 HE2 PHE 25 HE2 PHE 25 -9.830 14.718 -8.154 200 HZ PHE 25 HZ PHE 25 -7.697 15.360 -9.204 201 H GLU 26 H GLU 26 -8.812 12.486 -1.736 202 HA GLU 26 HA GLU 26 -10.909 14.521 -1.440 203 1HB GLU 26 2HB GLU 26 -11.065 11.593 -0.724 204 2HB GLU 26 1HB GLU 26 -12.397 12.734 -0.833 205 1HG GLU 26 2HG GLU 26 -11.934 12.972 -3.249 206 2HG GLU 26 1HG GLU 26 -10.702 11.720 -3.100 207 H GLY 27 H GLY 27 -8.795 15.189 -0.002 208 1HA GLY 27 1HA GLY 27 -9.694 15.522 2.572 209 2HA GLY 27 2HA GLY 27 -8.003 15.626 2.110 210 H GLY 28 H GLY 28 -7.665 12.922 1.315 211 1HA GLY 28 2HA GLY 28 -8.032 10.713 2.362 212 2HA GLY 28 1HA GLY 28 -7.999 11.547 3.912 213 H HIS 29 H HIS 29 -6.333 9.714 4.151 214 HA HIS 29 HA HIS 29 -3.703 10.667 3.246 215 1HB HIS 29 2HB HIS 29 -3.318 9.298 5.660 216 2HB HIS 29 1HB HIS 29 -3.199 11.029 5.391 217 HD1 HIS 29 HD1 HIS 29 -6.080 11.878 5.201 218 HD2 HIS 29 HD2 HIS 29 -4.716 9.091 7.961 219 HE1 HIS 29 HE1 HIS 29 -7.769 11.897 7.064 220 HE2 HIS 29 HE2 HIS 29 -6.960 10.151 8.691 221 H LEU 30 H LEU 30 -2.268 9.132 2.550 222 HA LEU 30 HA LEU 30 -3.358 6.566 1.895 223 1HB LEU 30 2HB LEU 30 -1.798 6.576 0.326 224 2HB LEU 30 1HB LEU 30 -1.303 8.157 0.896 225 HG LEU 30 HG LEU 30 0.065 6.518 2.598 226 1HD1 LEU 30 2HD1 LEU 30 -0.860 4.672 0.942 227 2HD1 LEU 30 1HD1 LEU 30 0.542 5.178 0.000 228 3HD1 LEU 30 3HD1 LEU 30 0.755 4.577 1.645 229 1HD2 LEU 30 3HD2 LEU 30 0.673 8.025 0.140 230 2HD2 LEU 30 2HD2 LEU 30 1.389 8.136 1.748 231 3HD2 LEU 30 1HD2 LEU 30 1.890 6.853 0.645 232 H ALA 31 H ALA 31 -3.271 4.770 3.022 233 HA ALA 31 HA ALA 31 -2.520 4.595 5.647 234 1HB ALA 31 1HB ALA 31 -3.334 2.741 3.595 235 2HB ALA 31 3HB ALA 31 -2.172 2.005 4.699 236 3HB ALA 31 2HB ALA 31 -3.658 2.718 5.328 237 H THR 32 H THR 32 -0.797 3.478 6.736 238 HA THR 32 HA THR 32 1.765 3.697 5.297 239 HB THR 32 HB THR 32 2.854 4.117 7.383 240 HG1 THR 32 HG1 THR 32 1.327 2.643 8.555 241 1HG2 THR 32 2HG2 THR 32 0.412 5.698 6.778 242 2HG2 THR 32 1HG2 THR 32 1.260 6.035 8.286 243 3HG2 THR 32 3HG2 THR 32 2.109 6.179 6.748 244 H TYR 33 H TYR 33 3.348 2.359 7.131 245 HA TYR 33 HA TYR 33 2.867 -0.368 6.384 246 1HB TYR 33 2HB TYR 33 5.141 0.244 6.452 247 2HB TYR 33 1HB TYR 33 4.975 1.025 8.016 248 HD1 TYR 33 HD1 TYR 33 4.623 -2.371 6.480 249 HD2 TYR 33 HD2 TYR 33 5.782 -0.075 9.871 250 HE1 TYR 33 HE1 TYR 33 5.413 -4.417 7.589 251 HE2 TYR 33 HE2 TYR 33 6.575 -2.116 10.989 252 HH TYR 33 HH TYR 33 7.066 -5.017 9.388 253 H LYS 34 H LYS 34 3.596 0.923 9.592 254 HA LYS 34 HA LYS 34 2.608 -1.124 11.110 255 1HB LYS 34 2HB LYS 34 2.884 1.812 11.599 256 2HB LYS 34 1HB LYS 34 2.063 0.825 12.798 257 1HG LYS 34 2HG LYS 34 4.516 -0.438 12.049 258 2HG LYS 34 1HG LYS 34 4.820 1.243 12.492 259 1HD LYS 34 2HD LYS 34 3.032 0.342 14.413 260 2HD LYS 34 1HD LYS 34 4.127 -1.020 14.167 261 1HE LYS 34 2HE LYS 34 6.021 0.660 14.400 262 2HE LYS 34 1HE LYS 34 4.803 1.789 14.994 263 1HZ LYS 34 3HZ LYS 34 4.958 -0.865 16.225 264 2HZ LYS 34 2HZ LYS 34 6.143 0.272 16.627 265 3HZ LYS 34 1HZ LYS 34 4.512 0.617 16.909 266 H GLN 35 H GLN 35 0.810 1.628 9.784 267 HA GLN 35 HA GLN 35 -1.640 1.071 11.049 268 1HB GLN 35 2HB GLN 35 -1.036 2.483 8.445 269 2HB GLN 35 1HB GLN 35 -2.614 2.464 9.215 270 1HG GLN 35 2HG GLN 35 -1.733 3.626 11.140 271 2HG GLN 35 1HG GLN 35 -0.109 3.570 10.457 272 1HE2 GLN 35 1HE2 GLN 35 -1.240 5.946 11.214 273 2HE2 GLN 35 2HE2 GLN 35 -1.572 6.902 9.814 274 H LEU 36 H LEU 36 -0.388 0.164 7.846 275 HA LEU 36 HA LEU 36 -2.611 -1.203 6.901 276 1HB LEU 36 2HB LEU 36 -0.300 -0.624 5.822 277 2HB LEU 36 1HB LEU 36 0.164 -2.201 6.412 278 HG LEU 36 HG LEU 36 -0.517 -2.305 4.069 279 1HD1 LEU 36 2HD1 LEU 36 -0.943 -4.241 5.521 280 2HD1 LEU 36 1HD1 LEU 36 -2.555 -3.611 5.864 281 3HD1 LEU 36 3HD1 LEU 36 -2.132 -4.103 4.224 282 1HD2 LEU 36 1HD2 LEU 36 -2.343 -0.393 4.720 283 2HD2 LEU 36 3HD2 LEU 36 -2.345 -1.328 3.226 284 3HD2 LEU 36 2HD2 LEU 36 -3.358 -1.829 4.580 285 H GLU 37 H GLU 37 0.029 -2.235 8.980 286 HA GLU 37 HA GLU 37 -0.487 -4.956 9.152 287 1HB GLU 37 2HB GLU 37 1.479 -3.809 10.142 288 2HB GLU 37 1HB GLU 37 0.434 -3.138 11.384 289 1HG GLU 37 2HG GLU 37 1.223 -4.922 12.524 290 2HG GLU 37 1HG GLU 37 -0.159 -5.689 11.743 291 H ALA 38 H ALA 38 -1.545 -2.458 11.435 292 HA ALA 38 HA ALA 38 -3.277 -4.030 12.923 293 1HB ALA 38 3HB ALA 38 -2.632 -1.896 13.759 294 2HB ALA 38 1HB ALA 38 -4.382 -1.866 13.543 295 3HB ALA 38 2HB ALA 38 -3.335 -1.072 12.367 296 H ALA 39 H ALA 39 -3.608 -2.865 9.738 297 HA ALA 39 HA ALA 39 -6.518 -3.125 9.716 298 1HB ALA 39 1HB ALA 39 -4.651 -2.485 7.434 299 2HB ALA 39 2HB ALA 39 -5.408 -1.280 8.476 300 3HB ALA 39 3HB ALA 39 -6.406 -2.309 7.448 301 H ARG 40 H ARG 40 -3.634 -4.775 8.782 302 HA ARG 40 HA ARG 40 -4.806 -6.709 7.062 303 1HB ARG 40 2HB ARG 40 -2.477 -6.312 6.840 304 2HB ARG 40 1HB ARG 40 -2.208 -6.503 8.568 305 1HG ARG 40 2HG ARG 40 -3.327 -8.869 7.252 306 2HG ARG 40 1HG ARG 40 -1.722 -8.406 6.686 307 1HD ARG 40 2HD ARG 40 -2.244 -8.488 9.618 308 2HD ARG 40 1HD ARG 40 -2.034 -10.009 8.752 309 HE ARG 40 HE ARG 40 0.061 -8.294 8.046 310 1HH1 ARG 40 1HH1 ARG 40 -1.121 -10.043 10.817 311 2HH1 ARG 40 2HH1 ARG 40 0.448 -10.234 11.527 312 1HH2 ARG 40 2HH2 ARG 40 2.130 -8.541 8.973 313 2HH2 ARG 40 1HH2 ARG 40 2.295 -9.380 10.479 314 H LYS 41 H LYS 41 -4.190 -6.435 10.493 315 HA LYS 41 HA LYS 41 -4.676 -9.145 11.140 316 1HB LYS 41 2HB LYS 41 -5.070 -6.818 13.009 317 2HB LYS 41 1HB LYS 41 -4.620 -8.469 13.415 318 1HG LYS 41 2HG LYS 41 -2.523 -7.975 11.965 319 2HG LYS 41 1HG LYS 41 -2.956 -6.288 12.248 320 1HD LYS 41 2HD LYS 41 -1.581 -6.643 14.040 321 2HD LYS 41 1HD LYS 41 -3.127 -7.114 14.749 322 1HE LYS 41 2HE LYS 41 -2.479 -9.235 15.003 323 2HE LYS 41 1HE LYS 41 -1.816 -9.311 13.371 324 1HZ LYS 41 1HZ LYS 41 0.133 -8.038 14.281 325 2HZ LYS 41 3HZ LYS 41 -0.480 -8.340 15.830 326 3HZ LYS 41 2HZ LYS 41 -0.021 -9.630 14.836 327 H ILE 42 H ILE 42 -6.758 -6.587 10.286 328 HA ILE 42 HA ILE 42 -9.061 -7.699 11.676 329 HB ILE 42 HB ILE 42 -10.276 -5.814 10.948 330 1HG1 ILE 42 2HG1 ILE 42 -8.267 -4.584 9.213 331 2HG1 ILE 42 1HG1 ILE 42 -8.875 -6.112 8.588 332 1HG2 ILE 42 3HG2 ILE 42 -7.422 -5.128 11.584 333 2HG2 ILE 42 2HG2 ILE 42 -8.665 -3.887 11.409 334 3HG2 ILE 42 1HG2 ILE 42 -8.823 -5.124 12.656 335 1HD1 ILE 42 1HD1 ILE 42 -11.206 -5.079 9.110 336 2HD1 ILE 42 3HD1 ILE 42 -10.321 -3.555 9.068 337 3HD1 ILE 42 2HD1 ILE 42 -10.331 -4.609 7.654 338 H GLY 43 H GLY 43 -7.423 -8.143 8.767 339 1HA GLY 43 1HA GLY 43 -9.830 -9.304 7.506 340 2HA GLY 43 2HA GLY 43 -8.279 -10.135 7.518 341 H PHE 44 H PHE 44 -7.139 -7.235 7.177 342 HA PHE 44 HA PHE 44 -7.899 -6.645 4.449 343 1HB PHE 44 2HB PHE 44 -7.251 -4.948 6.283 344 2HB PHE 44 1HB PHE 44 -5.588 -5.390 5.912 345 HD1 PHE 44 HD1 PHE 44 -7.413 -5.718 2.968 346 HD2 PHE 44 HD2 PHE 44 -5.762 -2.755 5.539 347 HE1 PHE 44 HE1 PHE 44 -7.410 -4.110 1.106 348 HE2 PHE 44 HE2 PHE 44 -5.759 -1.140 3.680 349 HZ PHE 44 HZ PHE 44 -6.584 -1.819 1.462 350 H HIS 45 H HIS 45 -6.976 -7.450 2.692 351 HA HIS 45 HA HIS 45 -4.170 -8.233 2.726 352 1HB HIS 45 2HB HIS 45 -5.339 -10.285 3.367 353 2HB HIS 45 1HB HIS 45 -6.392 -10.143 1.965 354 HD1 HIS 45 HD1 HIS 45 -4.196 -12.445 2.769 355 HD2 HIS 45 HD2 HIS 45 -3.989 -9.625 -0.273 356 HE1 HIS 45 HE1 HIS 45 -2.600 -13.398 1.075 357 HE2 HIS 45 HE2 HIS 45 -2.418 -11.631 -0.709 358 H VAL 46 H VAL 46 -3.201 -7.593 0.914 359 HA VAL 46 HA VAL 46 -4.711 -7.482 -1.584 360 HB VAL 46 HB VAL 46 -2.998 -5.124 -1.193 361 1HG1 VAL 46 2HG1 VAL 46 -5.227 -5.978 -2.774 362 2HG1 VAL 46 1HG1 VAL 46 -5.607 -4.449 -1.985 363 3HG1 VAL 46 3HG1 VAL 46 -4.170 -4.585 -2.998 364 1HG2 VAL 46 2HG2 VAL 46 -4.062 -5.340 1.044 365 2HG2 VAL 46 1HG2 VAL 46 -4.537 -3.881 0.171 366 3HG2 VAL 46 3HG2 VAL 46 -5.638 -5.257 0.256 367 H CYS 47 H CYS 47 -3.462 -9.102 -2.457 368 HA CYS 47 HA CYS 47 -0.669 -9.303 -2.277 369 1HB CYS 47 2HB CYS 47 -2.799 -10.528 -3.918 370 2HB CYS 47 1HB CYS 47 -1.189 -10.550 -4.630 371 H ALA 48 H ALA 48 0.078 -7.148 -2.636 372 HA ALA 48 HA ALA 48 1.216 -6.640 -5.085 373 1HB ALA 48 1HB ALA 48 -1.369 -5.108 -4.805 374 2HB ALA 48 2HB ALA 48 -1.057 -6.398 -5.966 375 3HB ALA 48 3HB ALA 48 -0.160 -4.884 -6.068 376 H ALA 49 H ALA 49 2.830 -5.291 -4.642 377 HA ALA 49 HA ALA 49 3.316 -4.091 -2.239 378 1HB ALA 49 2HB ALA 49 5.241 -3.711 -3.274 379 2HB ALA 49 1HB ALA 49 4.489 -4.032 -4.837 380 3HB ALA 49 3HB ALA 49 4.485 -2.397 -4.176 381 H GLY 50 H GLY 50 2.135 -2.662 -1.149 382 1HA GLY 50 2HA GLY 50 0.219 -1.165 -1.120 383 2HA GLY 50 1HA GLY 50 0.760 -0.539 -2.669 384 H TRP 51 H TRP 51 1.562 1.437 -2.532 385 HA TRP 51 HA TRP 51 3.739 2.219 -1.055 386 1HB TRP 51 2HB TRP 51 1.469 3.762 -2.265 387 2HB TRP 51 1HB TRP 51 2.709 4.597 -1.333 388 HD1 TRP 51 HD1 TRP 51 2.008 3.274 -4.735 389 HE1 TRP 51 HE1 TRP 51 4.111 3.489 -6.215 390 HE3 TRP 51 HE3 TRP 51 5.438 4.406 -1.121 391 HZ2 TRP 51 HZ2 TRP 51 6.857 4.068 -5.889 392 HZ3 TRP 51 HZ3 TRP 51 7.778 4.777 -1.781 393 HH2 TRP 51 HH2 TRP 51 8.471 4.610 -4.118 394 H MET 52 H MET 52 4.026 3.522 0.796 395 HA MET 52 HA MET 52 1.924 4.200 2.568 396 1HB MET 52 2HB MET 52 3.114 2.497 4.335 397 2HB MET 52 1HB MET 52 1.605 2.171 3.495 398 1HG MET 52 2HG MET 52 2.897 1.018 1.724 399 2HG MET 52 1HG MET 52 4.353 1.255 2.688 400 1HE MET 52 2HE MET 52 5.243 -0.403 4.181 401 2HE MET 52 1HE MET 52 4.522 -2.003 4.363 402 3HE MET 52 3HE MET 52 4.899 -1.383 2.755 403 H ALA 53 H ALA 53 2.960 4.609 4.875 404 HA ALA 53 HA ALA 53 4.339 5.998 6.044 405 1HB ALA 53 2HB ALA 53 6.730 4.974 4.635 406 2HB ALA 53 1HB ALA 53 6.412 5.142 6.362 407 3HB ALA 53 3HB ALA 53 5.710 3.797 5.463 408 H LYS 54 H LYS 54 6.740 7.198 5.477 409 HA LYS 54 HA LYS 54 5.913 9.434 3.944 410 1HB LYS 54 2HB LYS 54 8.017 8.798 5.743 411 2HB LYS 54 1HB LYS 54 8.750 9.424 4.274 412 1HG LYS 54 2HG LYS 54 6.605 11.131 4.832 413 2HG LYS 54 1HG LYS 54 7.396 10.827 6.378 414 1HD LYS 54 2HD LYS 54 9.477 11.231 4.565 415 2HD LYS 54 1HD LYS 54 8.267 12.450 4.157 416 1HE LYS 54 2HE LYS 54 8.938 13.667 5.884 417 2HE LYS 54 1HE LYS 54 8.439 12.369 6.971 418 1HZ LYS 54 1HZ LYS 54 11.064 12.278 5.628 419 2HZ LYS 54 3HZ LYS 54 10.855 13.173 7.049 420 3HZ LYS 54 2HZ LYS 54 10.569 11.506 7.049 421 H GLY 55 H GLY 55 6.739 6.503 2.822 422 1HA GLY 55 1HA GLY 55 8.456 7.389 0.638 423 2HA GLY 55 2HA GLY 55 6.820 6.909 0.198 424 H ARG 56 H ARG 56 7.126 4.973 2.630 425 HA ARG 56 HA ARG 56 8.911 3.001 1.420 426 1HB ARG 56 2HB ARG 56 7.809 3.480 4.108 427 2HB ARG 56 1HB ARG 56 7.900 1.786 3.643 428 1HG ARG 56 2HG ARG 56 10.285 2.054 3.154 429 2HG ARG 56 1HG ARG 56 10.187 3.745 3.650 430 1HD ARG 56 2HD ARG 56 9.248 2.802 5.864 431 2HD ARG 56 1HD ARG 56 9.935 1.271 5.320 432 HE ARG 56 HE ARG 56 11.891 3.278 5.127 433 1HH1 ARG 56 1HH1 ARG 56 10.127 1.463 7.519 434 2HH1 ARG 56 2HH1 ARG 56 11.381 1.562 8.709 435 1HH2 ARG 56 2HH2 ARG 56 13.550 3.416 6.688 436 2HH2 ARG 56 1HH2 ARG 56 13.328 2.673 8.237 437 H VAL 57 H VAL 57 8.206 1.342 0.247 438 HA VAL 57 HA VAL 57 5.319 0.738 0.289 439 HB VAL 57 HB VAL 57 5.440 1.305 -1.888 440 1HG1 VAL 57 2HG1 VAL 57 8.399 0.818 -1.675 441 2HG1 VAL 57 1HG1 VAL 57 7.608 1.220 -3.199 442 3HG1 VAL 57 3HG1 VAL 57 7.549 2.354 -1.850 443 1HG2 VAL 57 2HG2 VAL 57 5.379 -1.289 -1.718 444 2HG2 VAL 57 1HG2 VAL 57 5.607 -0.525 -3.291 445 3HG2 VAL 57 3HG2 VAL 57 6.991 -1.194 -2.425 446 H GLY 58 H GLY 58 4.704 -1.287 0.761 447 1HA GLY 58 2HA GLY 58 5.897 -3.167 2.104 448 2HA GLY 58 1HA GLY 58 6.675 -3.456 0.554 449 H TYR 59 H TYR 59 5.469 -5.575 1.410 450 HA TYR 59 HA TYR 59 2.814 -5.616 0.133 451 1HB TYR 59 2HB TYR 59 4.200 -8.173 0.024 452 2HB TYR 59 1HB TYR 59 3.422 -7.263 -1.268 453 HD1 TYR 59 HD1 TYR 59 4.812 -5.081 -1.997 454 HD2 TYR 59 HD2 TYR 59 6.461 -8.563 -0.190 455 HE1 TYR 59 HE1 TYR 59 7.013 -4.522 -2.940 456 HE2 TYR 59 HE2 TYR 59 8.667 -8.012 -1.127 457 HH TYR 59 HH TYR 59 9.860 -5.913 -1.914 458 HA PRO 60 HA PRO 60 1.980 -6.859 4.436 459 1HB PRO 60 2HB PRO 60 -0.760 -6.796 3.301 460 2HB PRO 60 1HB PRO 60 -0.135 -6.051 4.773 461 1HG PRO 60 2HG PRO 60 -0.676 -4.596 2.595 462 2HG PRO 60 1HG PRO 60 0.696 -4.215 3.649 463 1HD PRO 60 2HD PRO 60 0.665 -5.517 0.970 464 2HD PRO 60 1HD PRO 60 1.867 -4.422 1.681 465 H ILE 61 H ILE 61 -0.671 -8.095 2.512 466 HA ILE 61 HA ILE 61 -1.317 -10.201 1.915 467 HB ILE 61 HB ILE 61 1.405 -11.205 2.737 468 1HG1 ILE 61 1HG1 ILE 61 1.599 -9.306 1.139 469 2HG1 ILE 61 2HG1 ILE 61 2.152 -10.834 0.459 470 1HG2 ILE 61 3HG2 ILE 61 -0.355 -12.884 2.355 471 2HG2 ILE 61 2HG2 ILE 61 -0.581 -12.251 0.723 472 3HG2 ILE 61 1HG2 ILE 61 0.952 -12.997 1.176 473 1HD1 ILE 61 1HD1 ILE 61 -0.473 -10.791 -0.285 474 2HD1 ILE 61 3HD1 ILE 61 -0.021 -9.088 -0.377 475 3HD1 ILE 61 2HD1 ILE 61 0.890 -10.293 -1.289 476 H VAL 62 H VAL 62 -2.842 -10.630 3.407 477 HA VAL 62 HA VAL 62 -2.224 -11.173 6.151 478 HB VAL 62 HB VAL 62 -4.439 -10.241 4.979 479 1HG1 VAL 62 3HG1 VAL 62 -4.875 -13.204 5.232 480 2HG1 VAL 62 2HG1 VAL 62 -6.199 -12.039 5.214 481 3HG1 VAL 62 1HG1 VAL 62 -5.127 -12.178 3.819 482 1HG2 VAL 62 2HG2 VAL 62 -3.751 -11.317 7.568 483 2HG2 VAL 62 1HG2 VAL 62 -4.727 -9.907 7.158 484 3HG2 VAL 62 3HG2 VAL 62 -5.472 -11.503 7.230 485 H LYS 63 H LYS 63 -3.178 -13.110 3.354 486 HA LYS 63 HA LYS 63 -2.448 -15.523 4.879 487 1HB LYS 63 2HB LYS 63 -4.114 -16.713 3.353 488 2HB LYS 63 1HB LYS 63 -4.780 -15.699 4.624 489 1HG LYS 63 2HG LYS 63 -5.194 -13.921 3.025 490 2HG LYS 63 1HG LYS 63 -4.471 -14.891 1.740 491 1HD LYS 63 2HD LYS 63 -6.741 -15.264 1.442 492 2HD LYS 63 1HD LYS 63 -6.244 -16.656 2.404 493 1HE LYS 63 2HE LYS 63 -7.441 -16.010 4.198 494 2HE LYS 63 1HE LYS 63 -7.081 -14.303 3.952 495 1HZ LYS 63 2HZ LYS 63 -8.702 -14.392 2.058 496 2HZ LYS 63 1HZ LYS 63 -9.164 -15.924 2.608 497 3HZ LYS 63 3HZ LYS 63 -9.379 -14.569 3.599 498 HA PRO 64 HA PRO 64 0.440 -15.409 1.352 499 1HB PRO 64 2HB PRO 64 2.344 -16.907 2.578 500 2HB PRO 64 1HB PRO 64 2.176 -15.168 2.830 501 1HG PRO 64 2HG PRO 64 1.251 -17.431 4.547 502 2HG PRO 64 1HG PRO 64 1.993 -15.895 5.022 503 1HD PRO 64 2HD PRO 64 -0.682 -16.364 5.177 504 2HD PRO 64 1HD PRO 64 0.004 -14.751 4.894 505 H GLY 65 H GLY 65 0.716 -16.881 -0.252 506 1HA GLY 65 2HA GLY 65 -0.659 -18.844 -1.074 507 2HA GLY 65 1HA GLY 65 -0.017 -19.682 0.330 508 HA PRO 66 HA PRO 66 2.966 -20.644 -2.968 509 1HB PRO 66 2HB PRO 66 2.212 -20.280 -5.521 510 2HB PRO 66 1HB PRO 66 1.483 -21.517 -4.495 511 1HG PRO 66 2HG PRO 66 0.394 -18.889 -5.348 512 2HG PRO 66 1HG PRO 66 -0.455 -20.404 -5.029 513 1HD PRO 66 2HD PRO 66 -0.243 -18.204 -3.304 514 2HD PRO 66 1HD PRO 66 -0.798 -19.828 -2.883 515 H ASN 67 H ASN 67 1.895 -18.138 -5.207 516 HA ASN 67 HA ASN 67 4.512 -16.839 -4.905 517 1HB ASN 67 2HB ASN 67 3.526 -15.713 -7.143 518 2HB ASN 67 1HB ASN 67 4.435 -17.222 -7.148 519 1HD2 ASN 67 1HD2 ASN 67 3.093 -19.215 -6.887 520 2HD2 ASN 67 2HD2 ASN 67 1.583 -19.264 -7.725 521 H CYS 68 H CYS 68 1.158 -16.416 -4.384 522 HA CYS 68 HA CYS 68 0.898 -13.638 -4.575 523 1HB CYS 68 2HB CYS 68 -0.790 -15.685 -3.961 524 2HB CYS 68 1HB CYS 68 -0.598 -14.926 -2.384 525 H GLY 69 H GLY 69 2.179 -15.676 -2.025 526 1HA GLY 69 1HA GLY 69 2.389 -14.660 0.272 527 2HA GLY 69 2HA GLY 69 2.959 -13.225 -0.571 528 H PHE 70 H PHE 70 3.926 -16.135 -2.023 529 HA PHE 70 HA PHE 70 5.925 -17.198 -2.228 530 1HB PHE 70 2HB PHE 70 6.599 -14.391 -1.688 531 2HB PHE 70 1HB PHE 70 7.886 -15.522 -1.290 532 HD1 PHE 70 HD1 PHE 70 8.158 -17.425 -3.208 533 HD2 PHE 70 HD2 PHE 70 6.706 -13.465 -3.772 534 HE1 PHE 70 HE1 PHE 70 8.804 -17.531 -5.580 535 HE2 PHE 70 HE2 PHE 70 7.347 -13.563 -6.145 536 HZ PHE 70 HZ PHE 70 8.399 -15.597 -7.052 537 H GLY 71 H GLY 71 4.407 -17.410 0.273 538 1HA GLY 71 1HA GLY 71 6.319 -18.880 1.781 539 2HA GLY 71 2HA GLY 71 4.656 -18.550 2.258 540 H LYS 72 H LYS 72 5.393 -15.584 1.789 541 HA LYS 72 HA LYS 72 7.150 -15.093 4.055 542 1HB LYS 72 2HB LYS 72 5.802 -13.213 2.110 543 2HB LYS 72 1HB LYS 72 6.872 -12.697 3.408 544 1HG LYS 72 2HG LYS 72 8.749 -13.642 2.401 545 2HG LYS 72 1HG LYS 72 7.778 -14.671 1.346 546 1HD LYS 72 2HD LYS 72 7.484 -13.042 -0.185 547 2HD LYS 72 1HD LYS 72 7.325 -11.781 1.039 548 1HE LYS 72 2HE LYS 72 9.541 -11.314 1.045 549 2HE LYS 72 1HE LYS 72 10.004 -12.987 0.733 550 1HZ LYS 72 2HZ LYS 72 9.283 -12.679 -1.580 551 2HZ LYS 72 1HZ LYS 72 8.957 -11.050 -1.259 552 3HZ LYS 72 3HZ LYS 72 10.543 -11.633 -1.157 553 H THR 73 H THR 73 6.549 -13.843 5.872 554 HA THR 73 HA THR 73 3.647 -13.757 6.378 555 HB THR 73 HB THR 73 4.712 -13.879 8.880 556 HG1 THR 73 HG1 THR 73 6.178 -15.810 7.412 557 1HG2 THR 73 3HG2 THR 73 2.904 -15.275 7.524 558 2HG2 THR 73 2HG2 THR 73 4.198 -16.475 7.529 559 3HG2 THR 73 1HG2 THR 73 3.568 -15.850 9.054 560 H GLY 74 H GLY 74 2.826 -11.845 6.950 561 1HA GLY 74 2HA GLY 74 4.463 -9.869 8.316 562 2HA GLY 74 1HA GLY 74 2.741 -9.744 7.972 563 H ILE 75 H ILE 75 3.734 -7.482 7.489 564 HA ILE 75 HA ILE 75 3.620 -7.127 4.678 565 HB ILE 75 HB ILE 75 4.574 -5.094 6.691 566 1HG1 ILE 75 1HG1 ILE 75 1.884 -6.208 6.142 567 2HG1 ILE 75 2HG1 ILE 75 2.525 -5.485 7.613 568 1HG2 ILE 75 2HG2 ILE 75 4.595 -4.940 3.990 569 2HG2 ILE 75 1HG2 ILE 75 2.993 -4.294 4.347 570 3HG2 ILE 75 3HG2 ILE 75 4.423 -3.551 5.065 571 1HD1 ILE 75 3HD1 ILE 75 2.287 -3.258 6.550 572 2HD1 ILE 75 2HD1 ILE 75 1.498 -4.047 5.184 573 3HD1 ILE 75 1HD1 ILE 75 0.763 -4.112 6.787 574 H ILE 76 H ILE 76 5.205 -7.810 3.406 575 HA ILE 76 HA ILE 76 7.963 -7.795 4.248 576 HB ILE 76 HB ILE 76 6.894 -8.412 1.496 577 1HG1 ILE 76 2HG1 ILE 76 5.715 -9.912 2.878 578 2HG1 ILE 76 1HG1 ILE 76 7.116 -10.831 2.339 579 1HG2 ILE 76 2HG2 ILE 76 9.450 -8.055 2.221 580 2HG2 ILE 76 1HG2 ILE 76 9.269 -9.767 2.604 581 3HG2 ILE 76 3HG2 ILE 76 8.946 -9.190 0.969 582 1HD1 ILE 76 2HD1 ILE 76 8.196 -10.057 4.538 583 2HD1 ILE 76 1HD1 ILE 76 6.547 -9.672 5.031 584 3HD1 ILE 76 3HD1 ILE 76 6.973 -11.327 4.591 585 H ASP 77 H ASP 77 8.272 -5.527 4.558 586 HA ASP 77 HA ASP 77 8.412 -3.960 2.071 587 1HB ASP 77 2HB ASP 77 7.026 -2.762 3.521 588 2HB ASP 77 1HB ASP 77 7.976 -3.190 4.939 589 H TYR 78 H TYR 78 10.327 -3.255 1.341 590 HA TYR 78 HA TYR 78 12.701 -3.856 2.966 591 1HB TYR 78 2HB TYR 78 12.487 -3.401 -0.018 592 2HB TYR 78 1HB TYR 78 13.949 -3.850 0.854 593 HD1 TYR 78 HD1 TYR 78 10.458 -5.057 0.294 594 HD2 TYR 78 HD2 TYR 78 14.532 -6.084 0.964 595 HE1 TYR 78 HE1 TYR 78 9.902 -7.433 -0.008 596 HE2 TYR 78 HE2 TYR 78 13.988 -8.463 0.662 597 HH TYR 78 HH TYR 78 10.778 -9.501 -0.343 598 H GLY 79 H GLY 79 10.938 -1.414 3.069 599 1HA GLY 79 2HA GLY 79 13.029 0.503 3.355 600 2HA GLY 79 1HA GLY 79 11.302 0.818 3.515 601 H ILE 80 H ILE 80 12.150 2.859 2.403 602 HA ILE 80 HA ILE 80 11.152 3.046 -0.153 603 HB ILE 80 HB ILE 80 13.394 4.774 0.863 604 1HG1 ILE 80 2HG1 ILE 80 10.457 4.837 1.562 605 2HG1 ILE 80 1HG1 ILE 80 11.805 4.586 2.660 606 1HG2 ILE 80 1HG2 ILE 80 11.739 4.831 -1.443 607 2HG2 ILE 80 3HG2 ILE 80 11.307 6.204 -0.424 608 3HG2 ILE 80 2HG2 ILE 80 12.976 5.987 -0.949 609 1HD1 ILE 80 2HD1 ILE 80 12.571 6.917 1.987 610 2HD1 ILE 80 1HD1 ILE 80 10.960 7.109 1.294 611 3HD1 ILE 80 3HD1 ILE 80 11.146 6.789 3.019 612 H ARG 81 H ARG 81 12.116 3.285 -2.204 613 HA ARG 81 HA ARG 81 14.679 1.857 -2.481 614 1HB ARG 81 2HB ARG 81 12.574 2.104 -4.624 615 2HB ARG 81 1HB ARG 81 13.939 0.997 -4.569 616 1HG ARG 81 2HG ARG 81 12.043 0.765 -2.336 617 2HG ARG 81 1HG ARG 81 11.410 0.326 -3.923 618 1HD ARG 81 2HD ARG 81 14.068 -0.750 -3.438 619 2HD ARG 81 1HD ARG 81 12.888 -1.296 -2.248 620 HE ARG 81 HE ARG 81 11.629 -2.282 -4.006 621 1HH1 ARG 81 2HH1 ARG 81 14.689 -0.966 -5.021 622 2HH1 ARG 81 1HH1 ARG 81 14.743 -1.882 -6.491 623 1HH2 ARG 81 1HH2 ARG 81 11.688 -3.492 -5.938 624 2HH2 ARG 81 2HH2 ARG 81 13.036 -3.317 -7.013 625 H LEU 82 H LEU 82 13.963 4.817 -2.181 626 HA LEU 82 HA LEU 82 14.655 6.824 -2.999 627 1HB LEU 82 2HB LEU 82 16.795 5.129 -3.050 628 2HB LEU 82 1HB LEU 82 16.762 5.700 -4.705 629 HG LEU 82 HG LEU 82 18.263 7.089 -3.460 630 1HD1 LEU 82 3HD1 LEU 82 15.819 8.132 -4.604 631 2HD1 LEU 82 2HD1 LEU 82 16.494 9.220 -3.391 632 3HD1 LEU 82 1HD1 LEU 82 17.477 8.711 -4.762 633 1HD2 LEU 82 3HD2 LEU 82 16.012 7.227 -1.491 634 2HD2 LEU 82 2HD2 LEU 82 17.706 6.816 -1.222 635 3HD2 LEU 82 1HD2 LEU 82 17.245 8.486 -1.550 636 H ASN 83 H ASN 83 12.661 5.356 -4.513 637 HA ASN 83 HA ASN 83 12.880 6.847 -6.998 638 1HB ASN 83 2HB ASN 83 13.324 4.010 -6.858 639 2HB ASN 83 1HB ASN 83 11.857 4.330 -7.778 640 1HD2 ASN 83 1HD2 ASN 83 12.163 6.283 -9.326 641 2HD2 ASN 83 2HD2 ASN 83 13.592 6.220 -10.296 642 H ARG 84 H ARG 84 11.206 8.018 -5.801 643 HA ARG 84 HA ARG 84 8.744 6.835 -5.097 644 1HB ARG 84 2HB ARG 84 9.563 9.678 -5.667 645 2HB ARG 84 1HB ARG 84 7.926 9.248 -5.200 646 1HG ARG 84 2HG ARG 84 8.908 8.180 -3.146 647 2HG ARG 84 1HG ARG 84 10.442 8.928 -3.593 648 1HD ARG 84 2HD ARG 84 9.326 11.136 -3.563 649 2HD ARG 84 1HD ARG 84 7.850 10.350 -3.004 650 HE ARG 84 HE ARG 84 9.412 9.580 -1.085 651 1HH1 ARG 84 2HH1 ARG 84 9.494 12.663 -2.705 652 2HH1 ARG 84 1HH1 ARG 84 10.117 13.513 -1.330 653 1HH2 ARG 84 1HH2 ARG 84 10.235 10.691 0.728 654 2HH2 ARG 84 2HH2 ARG 84 10.538 12.393 0.620 655 H SER 85 H SER 85 10.041 6.977 -8.053 656 HA SER 85 HA SER 85 7.536 7.604 -9.445 657 1HB SER 85 2HB SER 85 10.389 7.779 -10.146 658 2HB SER 85 1HB SER 85 9.365 7.132 -11.427 659 HG SER 85 HG SER 85 9.376 9.340 -11.635 660 H GLU 86 H GLU 86 8.550 5.042 -7.961 661 HA GLU 86 HA GLU 86 8.722 2.998 -9.899 662 1HB GLU 86 2HB GLU 86 8.181 3.094 -6.962 663 2HB GLU 86 1HB GLU 86 7.867 1.598 -7.829 664 1HG GLU 86 2HG GLU 86 10.475 2.810 -8.387 665 2HG GLU 86 1HG GLU 86 10.241 2.281 -6.721 666 H ARG 87 H ARG 87 6.956 1.086 -9.557 667 HA ARG 87 HA ARG 87 4.298 2.291 -9.876 668 1HB ARG 87 2HB ARG 87 3.888 0.606 -11.713 669 2HB ARG 87 1HB ARG 87 4.963 1.936 -12.112 670 1HG ARG 87 2HG ARG 87 6.620 -0.077 -11.126 671 2HG ARG 87 1HG ARG 87 5.455 -0.892 -12.170 672 1HD ARG 87 2HD ARG 87 7.293 1.384 -12.885 673 2HD ARG 87 1HD ARG 87 7.319 -0.262 -13.519 674 HE ARG 87 HE ARG 87 5.171 0.260 -14.599 675 1HH1 ARG 87 2HH1 ARG 87 7.208 2.887 -13.561 676 2HH1 ARG 87 1HH1 ARG 87 6.545 4.019 -14.691 677 1HH2 ARG 87 1HH2 ARG 87 4.289 1.742 -16.091 678 2HH2 ARG 87 2HH2 ARG 87 4.885 3.368 -16.130 679 H TRP 88 H TRP 88 3.035 1.490 -8.380 680 HA TRP 88 HA TRP 88 2.831 -1.379 -7.993 681 1HB TRP 88 2HB TRP 88 3.218 0.346 -5.550 682 2HB TRP 88 1HB TRP 88 3.247 -1.410 -5.663 683 HD1 TRP 88 HD1 TRP 88 5.485 1.557 -5.660 684 HE1 TRP 88 HE1 TRP 88 7.913 0.835 -6.121 685 HE3 TRP 88 HE3 TRP 88 4.629 -3.249 -7.180 686 HZ2 TRP 88 HZ2 TRP 88 9.283 -1.469 -7.009 687 HZ3 TRP 88 HZ3 TRP 88 6.552 -4.645 -7.818 688 HH2 TRP 88 HH2 TRP 88 8.830 -3.772 -7.734 689 H ASP 89 H ASP 89 1.504 -0.495 -5.313 690 HA ASP 89 HA ASP 89 -1.033 0.377 -6.531 691 1HB ASP 89 2HB ASP 89 -0.802 -1.198 -3.968 692 2HB ASP 89 1HB ASP 89 -2.233 -0.941 -4.964 693 H ALA 90 H ALA 90 -2.445 0.944 -4.240 694 HA ALA 90 HA ALA 90 -0.864 2.842 -2.692 695 1HB ALA 90 3HB ALA 90 -1.554 4.147 -4.617 696 2HB ALA 90 1HB ALA 90 -2.396 4.701 -3.169 697 3HB ALA 90 2HB ALA 90 -3.237 3.694 -4.347 698 H TYR 91 H TYR 91 -1.549 2.974 -0.624 699 HA TYR 91 HA TYR 91 -4.086 1.652 0.042 700 1HB TYR 91 2HB TYR 91 -1.505 2.043 1.524 701 2HB TYR 91 1HB TYR 91 -2.992 1.740 2.408 702 HD1 TYR 91 HD1 TYR 91 -4.389 -0.354 1.438 703 HD2 TYR 91 HD2 TYR 91 -0.193 0.229 1.018 704 HE1 TYR 91 HE1 TYR 91 -4.092 -2.768 1.093 705 HE2 TYR 91 HE2 TYR 91 0.112 -2.185 0.671 706 HH TYR 91 HH TYR 91 -1.958 -4.188 -0.256 707 H CYS 92 H CYS 92 -5.728 2.845 0.802 708 HA CYS 92 HA CYS 92 -5.199 5.660 1.422 709 1HB CYS 92 2HB CYS 92 -7.463 4.183 0.244 710 2HB CYS 92 1HB CYS 92 -7.910 5.478 1.351 711 H TYR 93 H TYR 93 -6.396 6.674 3.169 712 HA TYR 93 HA TYR 93 -7.380 4.949 5.284 713 1HB TYR 93 2HB TYR 93 -4.900 5.094 5.610 714 2HB TYR 93 1HB TYR 93 -5.073 6.835 5.797 715 HD1 TYR 93 HD1 TYR 93 -6.558 7.688 7.684 716 HD2 TYR 93 HD2 TYR 93 -5.192 3.664 7.452 717 HE1 TYR 93 HE1 TYR 93 -7.013 7.406 10.082 718 HE2 TYR 93 HE2 TYR 93 -5.644 3.369 9.853 719 HH TYR 93 HH TYR 93 -6.321 4.336 11.734 720 H ASN 94 H ASN 94 -9.180 5.862 5.978 721 HA ASN 94 HA ASN 94 -9.267 8.763 6.360 722 1HB ASN 94 2HB ASN 94 -11.259 7.131 4.785 723 2HB ASN 94 1HB ASN 94 -11.643 8.718 5.444 724 1HD2 ASN 94 2HD2 ASN 94 -11.829 9.897 3.645 725 2HD2 ASN 94 1HD2 ASN 94 -10.574 10.122 2.479 726 HA PRO 95 HA PRO 95 -10.754 7.661 10.378 727 1HB PRO 95 2HB PRO 95 -12.397 10.126 10.011 728 2HB PRO 95 1HB PRO 95 -11.357 9.658 11.361 729 1HG PRO 95 2HG PRO 95 -10.557 11.484 9.591 730 2HG PRO 95 1HG PRO 95 -9.419 10.303 10.268 731 1HD PRO 95 2HD PRO 95 -10.657 10.410 7.562 732 2HD PRO 95 1HD PRO 95 -9.061 9.811 8.053 733 H HIS 96 H HIS 96 -12.957 8.645 7.808 734 HA HIS 96 HA HIS 96 -15.018 6.887 8.964 735 1HB HIS 96 2HB HIS 96 -16.688 8.314 8.249 736 2HB HIS 96 1HB HIS 96 -15.410 9.469 8.617 737 HD1 HIS 96 HD1 HIS 96 -17.594 8.337 5.920 738 HD2 HIS 96 HD2 HIS 96 -14.005 10.406 6.243 739 HE1 HIS 96 HE1 HIS 96 -17.261 9.457 3.694 740 HE2 HIS 96 HE2 HIS 96 -15.121 10.764 3.938 741 H ALA 97 H ALA 97 -13.210 7.775 6.113 742 HA ALA 97 HA ALA 97 -13.403 6.990 3.914 743 1HB ALA 97 3HB ALA 97 -11.587 5.743 4.453 744 2HB ALA 97 1HB ALA 97 -12.719 4.423 4.146 745 3HB ALA 97 2HB ALA 97 -12.398 4.943 5.800 746 H LYS 98 H LYS 98 -15.771 7.308 3.768 747 HA LYS 98 HA LYS 98 -17.240 4.758 3.752 748 1HB LYS 98 2HB LYS 98 -18.170 6.567 5.186 749 2HB LYS 98 1HB LYS 98 -18.360 7.566 3.752 750 1HG LYS 98 2HG LYS 98 -19.726 5.475 2.902 751 2HG LYS 98 1HG LYS 98 -19.908 5.192 4.634 752 1HD LYS 98 2HD LYS 98 -21.412 6.825 4.819 753 2HD LYS 98 1HD LYS 98 -20.364 7.968 3.979 754 1HE LYS 98 2HE LYS 98 -21.595 7.824 2.136 755 2HE LYS 98 1HE LYS 98 -21.426 6.069 2.113 756 1HZ LYS 98 1HZ LYS 98 -23.245 6.703 4.121 757 2HZ LYS 98 3HZ LYS 98 -23.692 7.601 2.758 758 3HZ LYS 98 2HZ LYS 98 -23.552 5.919 2.655 No H/Q in entry = 758 Start of MODEL 6 1 H1 GLY 1 2H GLY 1 -12.622 3.281 6.533 2 H2 GLY 1 1H GLY 1 -12.674 1.830 7.401 3 H3 GLY 1 3H GLY 1 -13.107 3.283 8.154 4 1HA GLY 1 2HA GLY 1 -10.784 2.282 8.601 5 2HA GLY 1 1HA GLY 1 -10.961 4.014 8.363 6 H VAL 2 H VAL 2 -8.869 1.769 7.744 7 HA VAL 2 HA VAL 2 -7.949 3.028 5.298 8 HB VAL 2 HB VAL 2 -6.192 2.763 6.800 9 1HG1 VAL 2 1HG1 VAL 2 -7.703 0.843 7.981 10 2HG1 VAL 2 3HG1 VAL 2 -6.389 -0.118 7.302 11 3HG1 VAL 2 2HG1 VAL 2 -6.032 1.209 8.409 12 1HG2 VAL 2 2HG2 VAL 2 -5.890 1.735 4.425 13 2HG2 VAL 2 1HG2 VAL 2 -4.633 1.524 5.645 14 3HG2 VAL 2 3HG2 VAL 2 -5.766 0.213 5.309 15 H TYR 3 H TYR 3 -7.652 2.029 3.340 16 HA TYR 3 HA TYR 3 -8.319 -0.789 3.054 17 1HB TYR 3 2HB TYR 3 -9.910 -0.268 1.178 18 2HB TYR 3 1HB TYR 3 -10.492 0.186 2.776 19 HD1 TYR 3 HD1 TYR 3 -10.354 2.617 3.469 20 HD2 TYR 3 HD2 TYR 3 -9.711 1.334 -0.537 21 HE1 TYR 3 HE1 TYR 3 -10.752 4.912 2.676 22 HE2 TYR 3 HE2 TYR 3 -10.107 3.624 -1.339 23 HH TYR 3 HH TYR 3 -11.225 6.157 0.806 24 H HIS 4 H HIS 4 -8.312 -1.180 0.450 25 HA HIS 4 HA HIS 4 -5.664 -0.235 -0.366 26 1HB HIS 4 2HB HIS 4 -6.090 -2.685 -0.264 27 2HB HIS 4 1HB HIS 4 -7.315 -2.494 -1.514 28 HD1 HIS 4 HD1 HIS 4 -6.512 -2.833 -3.828 29 HD2 HIS 4 HD2 HIS 4 -3.422 -1.793 -1.253 30 HE1 HIS 4 HE1 HIS 4 -4.415 -2.960 -5.209 31 HE2 HIS 4 HE2 HIS 4 -2.549 -2.432 -3.602 32 H ARG 5 H ARG 5 -5.320 0.150 -2.710 33 HA ARG 5 HA ARG 5 -7.623 0.988 -4.251 34 1HB ARG 5 2HB ARG 5 -5.916 2.882 -2.802 35 2HB ARG 5 1HB ARG 5 -6.078 3.245 -4.514 36 1HG ARG 5 2HG ARG 5 -8.556 2.632 -3.010 37 2HG ARG 5 1HG ARG 5 -7.764 4.178 -2.698 38 1HD ARG 5 2HD ARG 5 -8.739 4.984 -4.522 39 2HD ARG 5 1HD ARG 5 -7.766 3.871 -5.481 40 HE ARG 5 HE ARG 5 -10.383 3.071 -4.397 41 1HH1 ARG 5 1HH1 ARG 5 -8.176 3.474 -7.061 42 2HH1 ARG 5 2HH1 ARG 5 -9.195 2.656 -8.197 43 1HH2 ARG 5 1HH2 ARG 5 -11.733 1.993 -5.886 44 2HH2 ARG 5 2HH2 ARG 5 -11.217 1.815 -7.530 45 H GLU 6 H GLU 6 -7.107 1.469 -6.461 46 HA GLU 6 HA GLU 6 -4.436 0.525 -7.274 47 1HB GLU 6 2HB GLU 6 -5.980 -1.200 -7.843 48 2HB GLU 6 1HB GLU 6 -7.125 -0.049 -8.514 49 1HG GLU 6 2HG GLU 6 -5.712 0.376 -10.384 50 2HG GLU 6 1HG GLU 6 -4.395 -0.552 -9.666 51 H ALA 7 H ALA 7 -4.021 1.156 -9.656 52 HA ALA 7 HA ALA 7 -4.169 4.026 -9.783 53 1HB ALA 7 1HB ALA 7 -2.461 3.902 -11.255 54 2HB ALA 7 3HB ALA 7 -2.314 2.267 -10.610 55 3HB ALA 7 2HB ALA 7 -3.169 2.542 -12.128 56 H ARG 8 H ARG 8 -4.866 5.181 -11.736 57 HA ARG 8 HA ARG 8 -7.535 4.575 -12.403 58 1HB ARG 8 2HB ARG 8 -5.651 6.696 -12.905 59 2HB ARG 8 1HB ARG 8 -6.522 6.307 -14.381 60 1HG ARG 8 2HG ARG 8 -8.010 6.717 -11.825 61 2HG ARG 8 1HG ARG 8 -7.462 8.100 -12.771 62 1HD ARG 8 2HD ARG 8 -9.572 7.776 -13.628 63 2HD ARG 8 1HD ARG 8 -8.592 6.834 -14.751 64 HE ARG 8 HE ARG 8 -9.403 4.854 -13.759 65 1HH1 ARG 8 1HH1 ARG 8 -10.804 7.734 -12.393 66 2HH1 ARG 8 2HH1 ARG 8 -12.136 6.898 -11.666 67 1HH2 ARG 8 2HH2 ARG 8 -11.153 3.743 -12.807 68 2HH2 ARG 8 1HH2 ARG 8 -12.334 4.629 -11.902 69 H SER 9 H SER 9 -4.553 3.529 -13.721 70 HA SER 9 HA SER 9 -5.849 2.616 -16.189 71 1HB SER 9 2HB SER 9 -3.049 3.262 -15.431 72 2HB SER 9 1HB SER 9 -3.280 1.955 -16.594 73 HG SER 9 HG SER 9 -3.146 3.831 -17.755 74 H GLY 10 H GLY 10 -3.801 1.440 -13.542 75 1HA GLY 10 2HA GLY 10 -3.876 -1.266 -14.323 76 2HA GLY 10 1HA GLY 10 -5.154 -0.954 -13.161 77 H LYS 11 H LYS 11 -3.745 -2.666 -12.071 78 HA LYS 11 HA LYS 11 -2.452 -1.529 -9.874 79 1HB LYS 11 2HB LYS 11 -3.335 -3.698 -9.595 80 2HB LYS 11 1HB LYS 11 -2.491 -4.316 -11.008 81 1HG LYS 11 2HG LYS 11 -0.401 -4.286 -9.879 82 2HG LYS 11 1HG LYS 11 -1.080 -3.387 -8.519 83 1HD LYS 11 2HD LYS 11 -1.855 -5.245 -7.544 84 2HD LYS 11 1HD LYS 11 -2.506 -5.868 -9.062 85 1HE LYS 11 2HE LYS 11 -0.137 -6.484 -9.680 86 2HE LYS 11 1HE LYS 11 0.305 -6.111 -8.014 87 1HZ LYS 11 2HZ LYS 11 -1.902 -7.787 -7.904 88 2HZ LYS 11 1HZ LYS 11 -0.856 -8.464 -9.048 89 3HZ LYS 11 3HZ LYS 11 -0.308 -8.154 -7.478 90 H TYR 12 H TYR 12 -0.263 -1.487 -9.247 91 HA TYR 12 HA TYR 12 1.956 -1.089 -9.517 92 1HB TYR 12 2HB TYR 12 1.503 -3.126 -11.689 93 2HB TYR 12 1HB TYR 12 3.090 -2.415 -11.410 94 HD1 TYR 12 HD1 TYR 12 1.327 -2.621 -8.364 95 HD2 TYR 12 HD2 TYR 12 3.552 -4.981 -11.118 96 HE1 TYR 12 HE1 TYR 12 1.753 -4.273 -6.594 97 HE2 TYR 12 HE2 TYR 12 3.985 -6.640 -9.354 98 HH TYR 12 HH TYR 12 3.145 -7.364 -7.259 99 H LYS 13 H LYS 13 0.647 0.994 -10.275 100 HA LYS 13 HA LYS 13 2.161 2.031 -12.513 101 1HB LYS 13 2HB LYS 13 -0.823 1.707 -12.577 102 2HB LYS 13 1HB LYS 13 -0.058 3.038 -13.435 103 1HG LYS 13 2HG LYS 13 1.419 1.197 -14.489 104 2HG LYS 13 1HG LYS 13 0.152 0.100 -13.937 105 1HD LYS 13 2HD LYS 13 -1.206 2.210 -15.146 106 2HD LYS 13 1HD LYS 13 0.174 1.896 -16.199 107 1HE LYS 13 2HE LYS 13 -1.203 -0.511 -15.254 108 2HE LYS 13 1HE LYS 13 -2.190 0.541 -16.269 109 1HZ LYS 13 3HZ LYS 13 0.424 0.205 -17.346 110 2HZ LYS 13 2HZ LYS 13 -0.336 -1.290 -17.124 111 3HZ LYS 13 1HZ LYS 13 -1.079 -0.096 -18.063 112 H LEU 14 H LEU 14 1.018 2.310 -9.500 113 HA LEU 14 HA LEU 14 0.714 5.232 -9.575 114 1HB LEU 14 2HB LEU 14 -0.176 3.093 -7.690 115 2HB LEU 14 1HB LEU 14 0.068 4.716 -7.081 116 HG LEU 14 HG LEU 14 -1.696 4.218 -9.457 117 1HD1 LEU 14 2HD1 LEU 14 -2.253 2.831 -7.312 118 2HD1 LEU 14 1HD1 LEU 14 -2.830 4.384 -6.705 119 3HD1 LEU 14 3HD1 LEU 14 -3.526 3.697 -8.173 120 1HD2 LEU 14 3HD2 LEU 14 -0.798 6.516 -8.356 121 2HD2 LEU 14 2HD2 LEU 14 -2.330 6.361 -9.214 122 3HD2 LEU 14 1HD2 LEU 14 -2.295 6.283 -7.453 123 H THR 15 H THR 15 2.067 6.561 -8.489 124 HA THR 15 HA THR 15 4.452 5.319 -7.288 125 HB THR 15 HB THR 15 5.755 7.088 -8.012 126 HG1 THR 15 HG1 THR 15 4.914 8.962 -7.443 127 1HG2 THR 15 1HG2 THR 15 3.974 5.999 -9.905 128 2HG2 THR 15 3HG2 THR 15 4.123 7.715 -10.284 129 3HG2 THR 15 2HG2 THR 15 5.564 6.702 -10.198 130 H TYR 16 H TYR 16 5.300 6.237 -5.338 131 HA TYR 16 HA TYR 16 3.649 6.622 -3.266 132 1HB TYR 16 2HB TYR 16 6.015 6.527 -2.881 133 2HB TYR 16 1HB TYR 16 6.272 8.041 -3.742 134 HD1 TYR 16 HD1 TYR 16 4.454 6.673 -0.779 135 HD2 TYR 16 HD2 TYR 16 6.438 10.007 -2.533 136 HE1 TYR 16 HE1 TYR 16 4.229 7.914 1.332 137 HE2 TYR 16 HE2 TYR 16 6.218 11.255 -0.424 138 HH TYR 16 HH TYR 16 5.924 10.349 2.229 139 H ALA 17 H ALA 17 4.659 9.167 -5.503 140 HA ALA 17 HA ALA 17 3.235 11.241 -4.147 141 1HB ALA 17 1HB ALA 17 4.253 11.206 -6.987 142 2HB ALA 17 3HB ALA 17 3.803 12.627 -6.043 143 3HB ALA 17 2HB ALA 17 5.206 11.664 -5.574 144 H GLU 18 H GLU 18 2.529 9.128 -6.907 145 HA GLU 18 HA GLU 18 0.095 10.426 -7.611 146 1HB GLU 18 2HB GLU 18 1.145 7.654 -8.209 147 2HB GLU 18 1HB GLU 18 -0.314 8.331 -8.913 148 1HG GLU 18 2HG GLU 18 1.027 10.134 -9.910 149 2HG GLU 18 1HG GLU 18 2.481 9.387 -9.250 150 H ALA 19 H ALA 19 0.929 7.560 -5.730 151 HA ALA 19 HA ALA 19 -1.640 6.684 -5.100 152 1HB ALA 19 3HB ALA 19 -0.227 5.086 -4.405 153 2HB ALA 19 1HB ALA 19 -0.175 6.000 -2.898 154 3HB ALA 19 2HB ALA 19 1.079 6.236 -4.117 155 H LYS 20 H LYS 20 0.513 8.940 -3.416 156 HA LYS 20 HA LYS 20 -1.233 9.452 -1.242 157 1HB LYS 20 2HB LYS 20 1.320 9.897 -1.493 158 2HB LYS 20 1HB LYS 20 0.817 11.406 -2.236 159 1HG LYS 20 2HG LYS 20 -0.412 11.999 -0.206 160 2HG LYS 20 1HG LYS 20 0.107 10.486 0.542 161 1HD LYS 20 2HD LYS 20 2.495 11.305 0.014 162 2HD LYS 20 1HD LYS 20 1.745 12.889 -0.188 163 1HE LYS 20 2HE LYS 20 0.666 12.290 2.142 164 2HE LYS 20 1HE LYS 20 2.071 11.234 2.265 165 1HZ LYS 20 3HZ LYS 20 2.622 13.946 1.398 166 2HZ LYS 20 2HZ LYS 20 2.072 13.798 2.991 167 3HZ LYS 20 1HZ LYS 20 3.460 12.967 2.495 168 H ALA 21 H ALA 21 -0.963 10.687 -4.466 169 HA ALA 21 HA ALA 21 -2.358 13.123 -4.098 170 1HB ALA 21 3HB ALA 21 -2.703 12.986 -6.589 171 2HB ALA 21 2HB ALA 21 -1.026 12.899 -6.048 172 3HB ALA 21 1HB ALA 21 -1.872 11.431 -6.537 173 H VAL 22 H VAL 22 -3.389 9.867 -4.992 174 HA VAL 22 HA VAL 22 -6.096 10.530 -5.503 175 HB VAL 22 HB VAL 22 -4.642 7.967 -4.985 176 1HG1 VAL 22 2HG1 VAL 22 -7.638 8.265 -5.157 177 2HG1 VAL 22 1HG1 VAL 22 -6.764 6.737 -5.264 178 3HG1 VAL 22 3HG1 VAL 22 -6.713 7.680 -3.774 179 1HG2 VAL 22 3HG2 VAL 22 -6.009 9.299 -7.273 180 2HG2 VAL 22 2HG2 VAL 22 -4.435 8.504 -7.205 181 3HG2 VAL 22 1HG2 VAL 22 -5.910 7.538 -7.244 182 H CYS 23 H CYS 23 -4.529 9.041 -2.681 183 HA CYS 23 HA CYS 23 -6.851 8.929 -1.096 184 1HB CYS 23 2HB CYS 23 -3.916 8.939 -0.404 185 2HB CYS 23 1HB CYS 23 -5.175 8.773 0.812 186 H GLU 24 H GLU 24 -4.214 11.308 -1.241 187 HA GLU 24 HA GLU 24 -5.400 13.034 0.706 188 1HB GLU 24 2HB GLU 24 -2.903 12.819 -0.149 189 2HB GLU 24 1HB GLU 24 -3.425 14.053 -1.286 190 1HG GLU 24 2HG GLU 24 -3.579 15.652 0.299 191 2HG GLU 24 1HG GLU 24 -4.077 14.518 1.553 192 H PHE 25 H PHE 25 -6.019 12.419 -2.551 193 HA PHE 25 HA PHE 25 -6.697 14.886 -3.617 194 1HB PHE 25 2HB PHE 25 -6.860 12.294 -4.473 195 2HB PHE 25 1HB PHE 25 -8.560 12.711 -4.291 196 HD1 PHE 25 HD1 PHE 25 -5.406 13.910 -5.846 197 HD2 PHE 25 HD2 PHE 25 -9.660 13.866 -5.966 198 HE1 PHE 25 HE1 PHE 25 -5.350 15.056 -8.021 199 HE2 PHE 25 HE2 PHE 25 -9.613 15.012 -8.145 200 HZ PHE 25 HZ PHE 25 -7.456 15.610 -9.174 201 H GLU 26 H GLU 26 -8.726 12.641 -1.775 202 HA GLU 26 HA GLU 26 -10.743 14.754 -1.490 203 1HB GLU 26 2HB GLU 26 -11.015 11.832 -0.785 204 2HB GLU 26 1HB GLU 26 -12.304 13.022 -0.900 205 1HG GLU 26 2HG GLU 26 -11.816 13.252 -3.311 206 2HG GLU 26 1HG GLU 26 -10.628 11.959 -3.159 207 H GLY 27 H GLY 27 -8.610 15.327 -0.031 208 1HA GLY 27 1HA GLY 27 -9.533 15.669 2.542 209 2HA GLY 27 2HA GLY 27 -7.839 15.752 2.089 210 H GLY 28 H GLY 28 -7.517 13.061 1.277 211 1HA GLY 28 2HA GLY 28 -7.925 10.843 2.293 212 2HA GLY 28 1HA GLY 28 -7.900 11.659 3.852 213 H HIS 29 H HIS 29 -6.261 9.716 3.954 214 HA HIS 29 HA HIS 29 -3.613 10.669 3.122 215 1HB HIS 29 2HB HIS 29 -3.212 9.320 5.523 216 2HB HIS 29 1HB HIS 29 -3.150 11.057 5.273 217 HD1 HIS 29 HD1 HIS 29 -6.068 11.801 5.095 218 HD2 HIS 29 HD2 HIS 29 -4.583 9.060 7.839 219 HE1 HIS 29 HE1 HIS 29 -7.746 11.749 6.967 220 HE2 HIS 29 HE2 HIS 29 -6.784 10.144 8.655 221 H LEU 30 H LEU 30 -2.166 9.096 2.498 222 HA LEU 30 HA LEU 30 -3.311 6.555 1.811 223 1HB LEU 30 2HB LEU 30 -1.745 6.543 0.250 224 2HB LEU 30 1HB LEU 30 -1.216 8.109 0.831 225 HG LEU 30 HG LEU 30 0.102 6.424 2.531 226 1HD1 LEU 30 3HD1 LEU 30 -0.845 4.598 0.899 227 2HD1 LEU 30 2HD1 LEU 30 0.515 5.107 -0.101 228 3HD1 LEU 30 1HD1 LEU 30 0.799 4.494 1.529 229 1HD2 LEU 30 3HD2 LEU 30 0.751 7.970 0.116 230 2HD2 LEU 30 2HD2 LEU 30 1.492 7.996 1.716 231 3HD2 LEU 30 1HD2 LEU 30 1.933 6.738 0.560 232 H ALA 31 H ALA 31 -3.280 4.769 2.947 233 HA ALA 31 HA ALA 31 -2.561 4.572 5.575 234 1HB ALA 31 1HB ALA 31 -3.400 2.749 3.518 235 2HB ALA 31 3HB ALA 31 -2.231 1.980 4.591 236 3HB ALA 31 2HB ALA 31 -3.699 2.698 5.256 237 H THR 32 H THR 32 -0.868 3.476 6.699 238 HA THR 32 HA THR 32 1.717 3.632 5.294 239 HB THR 32 HB THR 32 2.781 4.093 7.375 240 HG1 THR 32 HG1 THR 32 1.204 2.610 8.528 241 1HG2 THR 32 2HG2 THR 32 0.375 5.658 6.675 242 2HG2 THR 32 1HG2 THR 32 1.072 5.974 8.264 243 3HG2 THR 32 3HG2 THR 32 2.059 6.165 6.816 244 H TYR 33 H TYR 33 3.225 2.307 7.236 245 HA TYR 33 HA TYR 33 2.719 -0.430 6.513 246 1HB TYR 33 2HB TYR 33 5.006 0.172 6.593 247 2HB TYR 33 1HB TYR 33 4.831 0.945 8.162 248 HD1 TYR 33 HD1 TYR 33 4.417 -2.437 6.609 249 HD2 TYR 33 HD2 TYR 33 5.626 -0.178 10.006 250 HE1 TYR 33 HE1 TYR 33 5.157 -4.504 7.713 251 HE2 TYR 33 HE2 TYR 33 6.370 -2.240 11.119 252 HH TYR 33 HH TYR 33 6.788 -4.432 10.848 253 H LYS 34 H LYS 34 3.427 0.940 9.693 254 HA LYS 34 HA LYS 34 2.414 -1.052 11.263 255 1HB LYS 34 2HB LYS 34 2.295 1.918 11.811 256 2HB LYS 34 1HB LYS 34 2.092 0.662 13.021 257 1HG LYS 34 2HG LYS 34 4.492 0.000 11.880 258 2HG LYS 34 1HG LYS 34 4.519 1.765 11.855 259 1HD LYS 34 2HD LYS 34 4.075 1.842 14.232 260 2HD LYS 34 1HD LYS 34 3.915 0.086 14.287 261 1HE LYS 34 2HE LYS 34 6.435 1.297 13.246 262 2HE LYS 34 1HE LYS 34 6.158 1.239 14.986 263 1HZ LYS 34 3HZ LYS 34 5.782 -1.201 13.394 264 2HZ LYS 34 2HZ LYS 34 7.353 -0.712 13.788 265 3HZ LYS 34 1HZ LYS 34 6.236 -1.036 15.016 266 H GLN 35 H GLN 35 0.636 1.587 9.724 267 HA GLN 35 HA GLN 35 -1.841 1.084 10.991 268 1HB GLN 35 2HB GLN 35 -1.182 2.402 8.351 269 2HB GLN 35 1HB GLN 35 -2.781 2.392 9.075 270 1HG GLN 35 2HG GLN 35 -1.925 3.605 11.008 271 2HG GLN 35 1HG GLN 35 -0.315 3.608 10.292 272 1HE2 GLN 35 1HE2 GLN 35 -1.435 5.959 11.001 273 2HE2 GLN 35 2HE2 GLN 35 -1.880 6.864 9.598 274 H LEU 36 H LEU 36 -0.626 0.199 7.759 275 HA LEU 36 HA LEU 36 -2.820 -1.330 6.963 276 1HB LEU 36 2HB LEU 36 -0.279 -0.726 5.944 277 2HB LEU 36 1HB LEU 36 -0.333 -2.475 6.031 278 HG LEU 36 HG LEU 36 -1.042 -1.478 3.833 279 1HD1 LEU 36 1HD1 LEU 36 -2.288 -3.553 5.389 280 2HD1 LEU 36 3HD1 LEU 36 -3.444 -2.833 4.269 281 3HD1 LEU 36 2HD1 LEU 36 -1.930 -3.504 3.663 282 1HD2 LEU 36 1HD2 LEU 36 -2.703 0.063 5.536 283 2HD2 LEU 36 3HD2 LEU 36 -2.551 0.143 3.781 284 3HD2 LEU 36 2HD2 LEU 36 -3.742 -0.930 4.515 285 H GLU 37 H GLU 37 -0.312 -1.966 9.226 286 HA GLU 37 HA GLU 37 -0.466 -4.800 9.268 287 1HB GLU 37 2HB GLU 37 1.420 -3.465 10.209 288 2HB GLU 37 1HB GLU 37 0.353 -2.938 11.501 289 1HG GLU 37 2HG GLU 37 1.414 -4.666 12.531 290 2HG GLU 37 1HG GLU 37 0.021 -5.508 11.853 291 H ALA 38 H ALA 38 -1.652 -2.407 11.606 292 HA ALA 38 HA ALA 38 -3.241 -4.143 13.086 293 1HB ALA 38 2HB ALA 38 -3.118 -2.242 14.272 294 2HB ALA 38 1HB ALA 38 -2.950 -1.242 12.830 295 3HB ALA 38 3HB ALA 38 -4.550 -1.766 13.358 296 H ALA 39 H ALA 39 -3.679 -2.951 9.947 297 HA ALA 39 HA ALA 39 -6.578 -3.344 9.965 298 1HB ALA 39 2HB ALA 39 -4.784 -2.511 7.684 299 2HB ALA 39 3HB ALA 39 -5.598 -1.392 8.776 300 3HB ALA 39 1HB ALA 39 -6.546 -2.442 7.723 301 H ARG 40 H ARG 40 -3.616 -4.789 8.943 302 HA ARG 40 HA ARG 40 -4.719 -6.732 7.175 303 1HB ARG 40 2HB ARG 40 -2.424 -6.157 6.908 304 2HB ARG 40 1HB ARG 40 -2.088 -6.442 8.611 305 1HG ARG 40 2HG ARG 40 -3.010 -8.883 7.780 306 2HG ARG 40 1HG ARG 40 -2.125 -8.305 6.367 307 1HD ARG 40 2HD ARG 40 -0.274 -9.019 7.374 308 2HD ARG 40 1HD ARG 40 -0.471 -7.670 8.491 309 HE ARG 40 HE ARG 40 -2.027 -9.651 9.538 310 1HH1 ARG 40 1HH1 ARG 40 1.320 -9.380 8.612 311 2HH1 ARG 40 2HH1 ARG 40 1.873 -10.517 9.796 312 1HH2 ARG 40 2HH2 ARG 40 -1.307 -11.149 11.101 313 2HH2 ARG 40 1HH2 ARG 40 0.380 -11.523 11.210 314 H LYS 41 H LYS 41 -4.015 -6.530 10.591 315 HA LYS 41 HA LYS 41 -4.297 -9.286 11.164 316 1HB LYS 41 2HB LYS 41 -4.743 -6.997 13.074 317 2HB LYS 41 1HB LYS 41 -4.293 -8.649 13.477 318 1HG LYS 41 2HG LYS 41 -2.227 -8.080 11.932 319 2HG LYS 41 1HG LYS 41 -2.637 -6.433 12.414 320 1HD LYS 41 2HD LYS 41 -2.073 -6.780 14.594 321 2HD LYS 41 1HD LYS 41 -2.522 -8.487 14.549 322 1HE LYS 41 2HE LYS 41 -0.503 -8.928 13.176 323 2HE LYS 41 1HE LYS 41 -0.039 -7.240 13.382 324 1HZ LYS 41 1HZ LYS 41 -0.608 -8.423 15.891 325 2HZ LYS 41 3HZ LYS 41 0.546 -9.346 15.065 326 3HZ LYS 41 2HZ LYS 41 0.825 -7.702 15.352 327 H ILE 42 H ILE 42 -6.571 -6.831 10.479 328 HA ILE 42 HA ILE 42 -8.751 -8.137 11.889 329 HB ILE 42 HB ILE 42 -10.108 -6.319 11.249 330 1HG1 ILE 42 2HG1 ILE 42 -8.243 -4.907 9.496 331 2HG1 ILE 42 1HG1 ILE 42 -8.750 -6.459 8.843 332 1HG2 ILE 42 1HG2 ILE 42 -7.286 -5.446 11.807 333 2HG2 ILE 42 3HG2 ILE 42 -8.631 -4.306 11.736 334 3HG2 ILE 42 2HG2 ILE 42 -8.634 -5.598 12.936 335 1HD1 ILE 42 3HD1 ILE 42 -11.071 -5.209 9.811 336 2HD1 ILE 42 2HD1 ILE 42 -10.167 -3.988 8.915 337 3HD1 ILE 42 1HD1 ILE 42 -10.611 -5.506 8.135 338 H GLY 43 H GLY 43 -7.206 -8.340 8.883 339 1HA GLY 43 1HA GLY 43 -9.583 -9.583 7.649 340 2HA GLY 43 2HA GLY 43 -8.026 -10.401 7.655 341 H PHE 44 H PHE 44 -7.002 -7.415 7.355 342 HA PHE 44 HA PHE 44 -7.720 -6.864 4.613 343 1HB PHE 44 2HB PHE 44 -7.163 -5.148 6.461 344 2HB PHE 44 1HB PHE 44 -5.481 -5.529 6.112 345 HD1 PHE 44 HD1 PHE 44 -7.289 -5.898 3.151 346 HD2 PHE 44 HD2 PHE 44 -5.701 -2.915 5.737 347 HE1 PHE 44 HE1 PHE 44 -7.313 -4.283 1.296 348 HE2 PHE 44 HE2 PHE 44 -5.724 -1.293 3.887 349 HZ PHE 44 HZ PHE 44 -6.528 -1.978 1.663 350 H HIS 45 H HIS 45 -6.810 -7.819 2.932 351 HA HIS 45 HA HIS 45 -3.952 -8.441 2.994 352 1HB HIS 45 2HB HIS 45 -5.079 -10.516 3.643 353 2HB HIS 45 1HB HIS 45 -6.104 -10.422 2.218 354 HD1 HIS 45 HD1 HIS 45 -4.202 -12.830 2.852 355 HD2 HIS 45 HD2 HIS 45 -3.332 -9.690 0.273 356 HE1 HIS 45 HE1 HIS 45 -2.467 -13.722 1.267 357 HE2 HIS 45 HE2 HIS 45 -2.023 -11.834 -0.340 358 H VAL 46 H VAL 46 -2.972 -7.786 1.188 359 HA VAL 46 HA VAL 46 -4.431 -7.783 -1.335 360 HB VAL 46 HB VAL 46 -2.889 -5.320 -1.034 361 1HG1 VAL 46 1HG1 VAL 46 -5.232 -6.338 -2.395 362 2HG1 VAL 46 3HG1 VAL 46 -5.509 -4.733 -1.720 363 3HG1 VAL 46 2HG1 VAL 46 -4.165 -5.002 -2.829 364 1HG2 VAL 46 3HG2 VAL 46 -3.840 -5.564 1.269 365 2HG2 VAL 46 2HG2 VAL 46 -4.382 -4.126 0.399 366 3HG2 VAL 46 1HG2 VAL 46 -5.447 -5.526 0.544 367 H CYS 47 H CYS 47 -3.124 -9.176 -2.379 368 HA CYS 47 HA CYS 47 -0.285 -9.196 -2.083 369 1HB CYS 47 2HB CYS 47 -2.173 -10.964 -3.067 370 2HB CYS 47 1HB CYS 47 -1.305 -10.458 -4.514 371 H ALA 48 H ALA 48 0.175 -6.962 -2.548 372 HA ALA 48 HA ALA 48 1.194 -6.511 -5.105 373 1HB ALA 48 1HB ALA 48 -1.245 -6.384 -5.670 374 2HB ALA 48 2HB ALA 48 -0.311 -4.948 -6.090 375 3HB ALA 48 3HB ALA 48 -1.339 -4.944 -4.656 376 H ALA 49 H ALA 49 2.813 -5.148 -4.764 377 HA ALA 49 HA ALA 49 3.484 -3.902 -2.461 378 1HB ALA 49 2HB ALA 49 5.251 -3.520 -3.755 379 2HB ALA 49 1HB ALA 49 4.284 -3.671 -5.222 380 3HB ALA 49 3HB ALA 49 4.395 -2.117 -4.396 381 H GLY 50 H GLY 50 2.332 -2.575 -1.222 382 1HA GLY 50 2HA GLY 50 0.350 -1.183 -0.975 383 2HA GLY 50 1HA GLY 50 0.725 -0.480 -2.540 384 H TRP 51 H TRP 51 1.628 1.453 -2.504 385 HA TRP 51 HA TRP 51 3.816 2.273 -1.073 386 1HB TRP 51 2HB TRP 51 1.525 3.774 -2.291 387 2HB TRP 51 1HB TRP 51 2.766 4.640 -1.387 388 HD1 TRP 51 HD1 TRP 51 2.039 3.304 -4.763 389 HE1 TRP 51 HE1 TRP 51 4.138 3.468 -6.258 390 HE3 TRP 51 HE3 TRP 51 5.509 4.366 -1.170 391 HZ2 TRP 51 HZ2 TRP 51 6.902 3.980 -5.942 392 HZ3 TRP 51 HZ3 TRP 51 7.854 4.679 -1.838 393 HH2 TRP 51 HH2 TRP 51 8.536 4.487 -4.175 394 H MET 52 H MET 52 4.074 3.750 0.699 395 HA MET 52 HA MET 52 2.044 4.462 2.492 396 1HB MET 52 2HB MET 52 3.084 2.780 4.320 397 2HB MET 52 1HB MET 52 1.638 2.421 3.389 398 1HG MET 52 2HG MET 52 2.852 1.051 1.876 399 2HG MET 52 1HG MET 52 4.395 1.580 2.544 400 1HE MET 52 2HE MET 52 2.772 -1.249 1.982 401 2HE MET 52 1HE MET 52 2.572 -2.222 3.439 402 3HE MET 52 3HE MET 52 1.368 -1.002 3.022 403 H ALA 53 H ALA 53 3.096 4.847 4.796 404 HA ALA 53 HA ALA 53 4.518 6.206 5.946 405 1HB ALA 53 2HB ALA 53 6.878 5.037 4.601 406 2HB ALA 53 1HB ALA 53 6.539 5.256 6.319 407 3HB ALA 53 3HB ALA 53 5.788 3.928 5.434 408 H LYS 54 H LYS 54 6.985 7.268 5.401 409 HA LYS 54 HA LYS 54 6.330 9.552 3.899 410 1HB LYS 54 2HB LYS 54 8.463 8.684 5.565 411 2HB LYS 54 1HB LYS 54 9.165 9.279 4.069 412 1HG LYS 54 2HG LYS 54 7.076 10.988 5.223 413 2HG LYS 54 1HG LYS 54 8.539 10.827 6.192 414 1HD LYS 54 2HD LYS 54 9.861 11.843 4.616 415 2HD LYS 54 1HD LYS 54 8.814 11.369 3.277 416 1HE LYS 54 2HE LYS 54 7.559 13.220 3.448 417 2HE LYS 54 1HE LYS 54 7.543 13.158 5.210 418 1HZ LYS 54 2HZ LYS 54 9.904 14.059 3.669 419 2HZ LYS 54 1HZ LYS 54 8.693 15.122 4.184 420 3HZ LYS 54 3HZ LYS 54 9.603 14.258 5.321 421 H GLY 55 H GLY 55 7.149 6.502 2.801 422 1HA GLY 55 1HA GLY 55 8.674 7.342 0.490 423 2HA GLY 55 2HA GLY 55 6.998 6.936 0.143 424 H ARG 56 H ARG 56 7.233 4.937 2.478 425 HA ARG 56 HA ARG 56 8.912 2.918 1.184 426 1HB ARG 56 2HB ARG 56 9.154 1.925 3.213 427 2HB ARG 56 1HB ARG 56 8.739 3.534 3.787 428 1HG ARG 56 2HG ARG 56 6.514 2.903 4.253 429 2HG ARG 56 1HG ARG 56 6.680 1.390 3.359 430 1HD ARG 56 2HD ARG 56 6.846 0.721 5.581 431 2HD ARG 56 1HD ARG 56 8.526 0.834 5.058 432 HE ARG 56 HE ARG 56 7.215 3.006 6.555 433 1HH1 ARG 56 1HH1 ARG 56 9.845 0.772 6.076 434 2HH1 ARG 56 2HH1 ARG 56 10.817 1.444 7.341 435 1HH2 ARG 56 1HH2 ARG 56 8.487 3.899 8.224 436 2HH2 ARG 56 2HH2 ARG 56 10.045 3.222 8.564 437 H VAL 57 H VAL 57 8.115 1.130 0.219 438 HA VAL 57 HA VAL 57 5.201 0.713 0.323 439 HB VAL 57 HB VAL 57 5.283 1.474 -1.818 440 1HG1 VAL 57 3HG1 VAL 57 8.150 0.671 -1.733 441 2HG1 VAL 57 2HG1 VAL 57 7.371 0.938 -3.293 442 3HG1 VAL 57 1HG1 VAL 57 7.428 2.237 -2.101 443 1HG2 VAL 57 3HG2 VAL 57 5.543 -1.393 -1.684 444 2HG2 VAL 57 2HG2 VAL 57 4.522 -0.407 -2.728 445 3HG2 VAL 57 1HG2 VAL 57 6.179 -0.774 -3.206 446 H GLY 58 H GLY 58 4.667 -1.237 1.032 447 1HA GLY 58 2HA GLY 58 5.690 -3.236 2.128 448 2HA GLY 58 1HA GLY 58 6.593 -3.443 0.635 449 H TYR 59 H TYR 59 5.187 -5.556 1.496 450 HA TYR 59 HA TYR 59 2.756 -5.558 -0.169 451 1HB TYR 59 2HB TYR 59 4.280 -8.093 0.087 452 2HB TYR 59 1HB TYR 59 3.368 -7.457 -1.281 453 HD1 TYR 59 HD1 TYR 59 4.529 -5.036 -2.065 454 HD2 TYR 59 HD2 TYR 59 6.499 -8.426 -0.412 455 HE1 TYR 59 HE1 TYR 59 6.625 -4.337 -3.144 456 HE2 TYR 59 HE2 TYR 59 8.600 -7.735 -1.485 457 HH TYR 59 HH TYR 59 9.536 -6.336 -2.973 458 HA PRO 60 HA PRO 60 1.576 -6.768 4.139 459 1HB PRO 60 2HB PRO 60 -1.011 -5.746 3.147 460 2HB PRO 60 1HB PRO 60 -0.138 -5.345 4.627 461 1HG PRO 60 2HG PRO 60 -0.299 -3.628 2.570 462 2HG PRO 60 1HG PRO 60 1.143 -3.733 3.593 463 1HD PRO 60 2HD PRO 60 0.686 -4.798 0.843 464 2HD PRO 60 1HD PRO 60 2.155 -4.102 1.557 465 H ILE 61 H ILE 61 1.534 -8.963 3.983 466 HA ILE 61 HA ILE 61 -0.842 -10.144 2.706 467 HB ILE 61 HB ILE 61 1.902 -11.407 2.699 468 1HG1 ILE 61 1HG1 ILE 61 1.784 -9.410 1.232 469 2HG1 ILE 61 2HG1 ILE 61 1.992 -10.904 0.322 470 1HG2 ILE 61 2HG2 ILE 61 -0.241 -12.829 2.697 471 2HG2 ILE 61 1HG2 ILE 61 -0.455 -12.239 1.048 472 3HG2 ILE 61 3HG2 ILE 61 0.986 -13.161 1.475 473 1HD1 ILE 61 3HD1 ILE 61 -0.673 -10.734 0.271 474 2HD1 ILE 61 2HD1 ILE 61 -0.269 -9.021 0.385 475 3HD1 ILE 61 1HD1 ILE 61 0.371 -9.991 -0.940 476 H VAL 62 H VAL 62 -2.055 -10.943 4.298 477 HA VAL 62 HA VAL 62 -1.035 -11.630 6.863 478 HB VAL 62 HB VAL 62 -3.639 -12.792 6.158 479 1HG1 VAL 62 1HG1 VAL 62 -2.563 -12.380 8.457 480 2HG1 VAL 62 3HG1 VAL 62 -3.061 -10.703 8.230 481 3HG1 VAL 62 2HG1 VAL 62 -4.270 -11.987 8.253 482 1HG2 VAL 62 2HG2 VAL 62 -3.113 -9.856 5.789 483 2HG2 VAL 62 1HG2 VAL 62 -3.901 -10.978 4.680 484 3HG2 VAL 62 3HG2 VAL 62 -4.715 -10.491 6.166 485 H LYS 63 H LYS 63 -1.238 -13.310 3.914 486 HA LYS 63 HA LYS 63 -1.022 -15.918 5.249 487 1HB LYS 63 2HB LYS 63 -1.969 -15.023 2.577 488 2HB LYS 63 1HB LYS 63 -1.174 -16.588 2.659 489 1HG LYS 63 2HG LYS 63 -3.126 -16.301 4.765 490 2HG LYS 63 1HG LYS 63 -3.845 -16.032 3.175 491 1HD LYS 63 2HD LYS 63 -2.965 -18.159 2.393 492 2HD LYS 63 1HD LYS 63 -2.176 -18.422 3.948 493 1HE LYS 63 2HE LYS 63 -4.973 -17.856 4.316 494 2HE LYS 63 1HE LYS 63 -4.756 -19.195 3.191 495 1HZ LYS 63 1HZ LYS 63 -3.011 -19.517 5.377 496 2HZ LYS 63 3HZ LYS 63 -4.579 -19.260 5.960 497 3HZ LYS 63 2HZ LYS 63 -4.276 -20.522 4.876 498 HA PRO 64 HA PRO 64 3.231 -16.615 4.388 499 1HB PRO 64 2HB PRO 64 2.522 -18.913 2.646 500 2HB PRO 64 1HB PRO 64 3.575 -18.856 4.061 501 1HG PRO 64 2HG PRO 64 1.139 -19.951 4.183 502 2HG PRO 64 1HG PRO 64 1.816 -19.042 5.544 503 1HD PRO 64 2HD PRO 64 -0.274 -18.238 3.579 504 2HD PRO 64 1HD PRO 64 -0.113 -17.819 5.297 505 H GLY 65 H GLY 65 1.017 -16.012 1.891 506 1HA GLY 65 2HA GLY 65 3.084 -14.867 0.238 507 2HA GLY 65 1HA GLY 65 1.353 -14.814 -0.065 508 HA PRO 66 HA PRO 66 1.849 -18.344 -2.733 509 1HB PRO 66 2HB PRO 66 0.501 -17.392 -4.824 510 2HB PRO 66 1HB PRO 66 -0.320 -17.756 -3.307 511 1HG PRO 66 2HG PRO 66 0.421 -15.129 -4.474 512 2HG PRO 66 1HG PRO 66 -0.955 -15.553 -3.442 513 1HD PRO 66 1HD PRO 66 1.491 -14.358 -2.634 514 2HD PRO 66 2HD PRO 66 0.192 -14.953 -1.587 515 H ASN 67 H ASN 67 1.964 -15.372 -4.652 516 HA ASN 67 HA ASN 67 4.585 -16.211 -5.707 517 1HB ASN 67 2HB ASN 67 3.552 -14.676 -7.712 518 2HB ASN 67 1HB ASN 67 3.468 -16.434 -7.657 519 1HD2 ASN 67 2HD2 ASN 67 1.723 -13.721 -6.174 520 2HD2 ASN 67 1HD2 ASN 67 0.143 -14.317 -6.543 521 H CYS 68 H CYS 68 2.638 -13.692 -4.392 522 HA CYS 68 HA CYS 68 4.672 -11.668 -4.981 523 1HB CYS 68 2HB CYS 68 2.586 -10.498 -3.503 524 2HB CYS 68 1HB CYS 68 2.891 -10.340 -5.230 525 H GLY 69 H GLY 69 4.485 -13.961 -2.823 526 1HA GLY 69 1HA GLY 69 4.438 -13.692 -0.332 527 2HA GLY 69 2HA GLY 69 5.384 -12.234 -0.599 528 H PHE 70 H PHE 70 5.746 -15.331 -2.251 529 HA PHE 70 HA PHE 70 7.510 -16.750 -2.456 530 1HB PHE 70 2HB PHE 70 8.646 -14.164 -2.289 531 2HB PHE 70 1HB PHE 70 9.637 -15.219 -1.287 532 HD1 PHE 70 HD1 PHE 70 8.032 -15.172 -4.652 533 HD2 PHE 70 HD2 PHE 70 11.362 -16.355 -2.281 534 HE1 PHE 70 HE1 PHE 70 9.161 -16.020 -6.668 535 HE2 PHE 70 HE2 PHE 70 12.497 -17.205 -4.291 536 HZ PHE 70 HZ PHE 70 11.397 -17.038 -6.489 537 H GLY 71 H GLY 71 5.937 -17.003 -0.179 538 1HA GLY 71 1HA GLY 71 7.743 -18.462 1.521 539 2HA GLY 71 2HA GLY 71 5.997 -18.342 1.708 540 H LYS 72 H LYS 72 6.456 -15.287 1.516 541 HA LYS 72 HA LYS 72 7.688 -14.797 4.113 542 1HB LYS 72 2HB LYS 72 6.780 -13.021 1.865 543 2HB LYS 72 1HB LYS 72 7.138 -12.357 3.454 544 1HG LYS 72 2HG LYS 72 9.323 -13.968 2.864 545 2HG LYS 72 1HG LYS 72 8.933 -13.162 1.344 546 1HD LYS 72 2HD LYS 72 8.767 -11.036 2.864 547 2HD LYS 72 1HD LYS 72 9.776 -11.987 3.955 548 1HE LYS 72 2HE LYS 72 10.407 -11.310 1.084 549 2HE LYS 72 1HE LYS 72 11.138 -10.574 2.508 550 1HZ LYS 72 3HZ LYS 72 11.301 -13.453 2.445 551 2HZ LYS 72 2HZ LYS 72 12.143 -12.691 1.191 552 3HZ LYS 72 1HZ LYS 72 12.496 -12.308 2.800 553 H THR 73 H THR 73 6.611 -13.574 5.759 554 HA THR 73 HA THR 73 3.674 -13.734 5.641 555 HB THR 73 HB THR 73 4.178 -13.989 8.303 556 HG1 THR 73 HG1 THR 73 6.059 -15.705 7.045 557 1HG2 THR 73 1HG2 THR 73 3.893 -16.210 6.278 558 2HG2 THR 73 3HG2 THR 73 3.592 -16.364 8.009 559 3HG2 THR 73 2HG2 THR 73 2.576 -15.307 7.026 560 H GLY 74 H GLY 74 2.610 -11.936 6.218 561 1HA GLY 74 2HA GLY 74 3.892 -9.956 7.934 562 2HA GLY 74 1HA GLY 74 2.214 -9.948 7.403 563 H ILE 75 H ILE 75 3.330 -7.584 7.267 564 HA ILE 75 HA ILE 75 3.313 -6.974 4.489 565 HB ILE 75 HB ILE 75 4.155 -5.146 6.738 566 1HG1 ILE 75 1HG1 ILE 75 1.478 -6.088 5.818 567 2HG1 ILE 75 2HG1 ILE 75 2.032 -5.701 7.443 568 1HG2 ILE 75 3HG2 ILE 75 4.238 -4.785 3.998 569 2HG2 ILE 75 2HG2 ILE 75 2.741 -3.990 4.484 570 3HG2 ILE 75 1HG2 ILE 75 4.271 -3.516 5.224 571 1HD1 ILE 75 3HD1 ILE 75 1.943 -3.315 6.877 572 2HD1 ILE 75 2HD1 ILE 75 1.317 -3.738 5.283 573 3HD1 ILE 75 1HD1 ILE 75 0.377 -4.111 6.728 574 H ILE 76 H ILE 76 4.949 -7.428 3.193 575 HA ILE 76 HA ILE 76 7.679 -7.442 4.198 576 HB ILE 76 HB ILE 76 6.708 -8.079 1.410 577 1HG1 ILE 76 2HG1 ILE 76 5.664 -9.740 2.651 578 2HG1 ILE 76 1HG1 ILE 76 7.221 -10.488 2.309 579 1HG2 ILE 76 3HG2 ILE 76 9.276 -7.647 2.381 580 2HG2 ILE 76 2HG2 ILE 76 9.115 -9.402 2.298 581 3HG2 ILE 76 1HG2 ILE 76 8.834 -8.422 0.860 582 1HD1 ILE 76 2HD1 ILE 76 8.002 -9.737 4.540 583 2HD1 ILE 76 1HD1 ILE 76 6.364 -9.170 4.869 584 3HD1 ILE 76 3HD1 ILE 76 6.666 -10.886 4.589 585 H ASP 77 H ASP 77 7.777 -5.137 4.567 586 HA ASP 77 HA ASP 77 7.925 -3.498 2.138 587 1HB ASP 77 2HB ASP 77 6.614 -2.901 4.365 588 2HB ASP 77 1HB ASP 77 8.198 -2.321 4.868 589 H TYR 78 H TYR 78 9.838 -3.029 1.294 590 HA TYR 78 HA TYR 78 12.258 -3.715 2.708 591 1HB TYR 78 2HB TYR 78 11.752 -2.637 -0.070 592 2HB TYR 78 1HB TYR 78 13.345 -3.043 0.553 593 HD1 TYR 78 HD1 TYR 78 10.001 -4.718 0.561 594 HD2 TYR 78 HD2 TYR 78 14.154 -5.020 -0.307 595 HE1 TYR 78 HE1 TYR 78 9.675 -7.049 -0.147 596 HE2 TYR 78 HE2 TYR 78 13.841 -7.353 -1.020 597 HH TYR 78 HH TYR 78 10.636 -8.886 -0.935 598 H GLY 79 H GLY 79 10.327 -1.134 2.912 599 1HA GLY 79 2HA GLY 79 12.446 0.560 3.904 600 2HA GLY 79 1HA GLY 79 10.717 0.906 3.951 601 H ILE 80 H ILE 80 11.764 3.077 3.363 602 HA ILE 80 HA ILE 80 11.133 3.656 0.672 603 HB ILE 80 HB ILE 80 12.785 5.417 2.474 604 1HG1 ILE 80 1HG1 ILE 80 9.807 5.626 2.365 605 2HG1 ILE 80 2HG1 ILE 80 10.520 4.385 3.388 606 1HG2 ILE 80 1HG2 ILE 80 12.550 6.090 0.116 607 2HG2 ILE 80 3HG2 ILE 80 10.796 6.085 0.309 608 3HG2 ILE 80 2HG2 ILE 80 11.782 7.227 1.224 609 1HD1 ILE 80 2HD1 ILE 80 11.557 7.148 3.640 610 2HD1 ILE 80 1HD1 ILE 80 9.960 6.790 4.297 611 3HD1 ILE 80 3HD1 ILE 80 11.366 5.889 4.862 612 H ARG 81 H ARG 81 12.310 3.314 -1.088 613 HA ARG 81 HA ARG 81 15.238 3.158 -0.810 614 1HB ARG 81 2HB ARG 81 13.335 1.772 -2.688 615 2HB ARG 81 1HB ARG 81 15.060 1.860 -3.014 616 1HG ARG 81 2HG ARG 81 13.881 0.694 -0.503 617 2HG ARG 81 1HG ARG 81 14.317 -0.251 -1.929 618 1HD ARG 81 2HD ARG 81 16.573 0.064 -1.617 619 2HD ARG 81 1HD ARG 81 16.348 1.567 -0.726 620 HE ARG 81 HE ARG 81 15.714 0.254 1.194 621 1HH1 ARG 81 2HH1 ARG 81 17.134 -1.502 -1.457 622 2HH1 ARG 81 1HH1 ARG 81 17.611 -2.850 -0.478 623 1HH2 ARG 81 1HH2 ARG 81 16.338 -1.515 2.492 624 2HH2 ARG 81 2HH2 ARG 81 17.158 -2.856 1.767 625 H LEU 82 H LEU 82 13.614 5.581 -1.209 626 HA LEU 82 HA LEU 82 13.572 7.475 -2.472 627 1HB LEU 82 2HB LEU 82 16.174 6.672 -2.219 628 2HB LEU 82 1HB LEU 82 16.023 6.853 -3.954 629 HG LEU 82 HG LEU 82 16.888 8.893 -2.975 630 1HD1 LEU 82 3HD1 LEU 82 14.072 9.047 -4.013 631 2HD1 LEU 82 2HD1 LEU 82 15.055 10.478 -3.703 632 3HD1 LEU 82 1HD1 LEU 82 15.580 9.288 -4.894 633 1HD2 LEU 82 1HD2 LEU 82 14.375 8.866 -1.310 634 2HD2 LEU 82 3HD2 LEU 82 16.033 8.697 -0.731 635 3HD2 LEU 82 2HD2 LEU 82 15.494 10.225 -1.428 636 H ASN 83 H ASN 83 12.398 5.015 -3.598 637 HA ASN 83 HA ASN 83 12.616 5.657 -6.465 638 1HB ASN 83 2HB ASN 83 11.758 3.055 -5.180 639 2HB ASN 83 1HB ASN 83 11.853 3.363 -6.913 640 1HD2 ASN 83 2HD2 ASN 83 14.213 4.751 -7.076 641 2HD2 ASN 83 1HD2 ASN 83 15.523 3.716 -6.632 642 H ARG 84 H ARG 84 11.032 7.339 -5.139 643 HA ARG 84 HA ARG 84 8.340 6.473 -4.853 644 1HB ARG 84 2HB ARG 84 9.645 9.180 -5.025 645 2HB ARG 84 1HB ARG 84 7.903 9.000 -4.914 646 1HG ARG 84 2HG ARG 84 8.395 9.247 -2.714 647 2HG ARG 84 1HG ARG 84 8.536 7.494 -2.844 648 1HD ARG 84 2HD ARG 84 10.700 7.549 -2.329 649 2HD ARG 84 1HD ARG 84 11.019 8.799 -3.531 650 HE ARG 84 HE ARG 84 10.133 9.324 -0.768 651 1HH1 ARG 84 1HH1 ARG 84 11.823 10.242 -3.673 652 2HH1 ARG 84 2HH1 ARG 84 12.452 11.708 -2.998 653 1HH2 ARG 84 2HH2 ARG 84 10.959 11.253 0.130 654 2HH2 ARG 84 1HH2 ARG 84 11.962 12.282 -0.838 655 H SER 85 H SER 85 10.099 6.552 -7.543 656 HA SER 85 HA SER 85 7.943 7.589 -9.252 657 1HB SER 85 2HB SER 85 10.895 7.439 -9.533 658 2HB SER 85 1HB SER 85 9.950 7.182 -10.999 659 HG SER 85 HG SER 85 8.813 9.216 -10.080 660 H GLU 86 H GLU 86 8.681 4.806 -7.888 661 HA GLU 86 HA GLU 86 8.789 2.993 -10.088 662 1HB GLU 86 2HB GLU 86 8.475 2.779 -7.139 663 2HB GLU 86 1HB GLU 86 7.926 1.417 -8.106 664 1HG GLU 86 2HG GLU 86 10.617 2.503 -8.692 665 2HG GLU 86 1HG GLU 86 10.405 1.616 -7.182 666 H ARG 87 H ARG 87 6.926 1.077 -9.666 667 HA ARG 87 HA ARG 87 4.337 2.446 -9.882 668 1HB ARG 87 2HB ARG 87 4.958 0.135 -11.678 669 2HB ARG 87 1HB ARG 87 3.744 1.392 -11.856 670 1HG ARG 87 2HG ARG 87 5.588 3.017 -12.271 671 2HG ARG 87 1HG ARG 87 6.713 1.658 -12.265 672 1HD ARG 87 2HD ARG 87 6.170 2.142 -14.537 673 2HD ARG 87 1HD ARG 87 5.369 0.633 -14.101 674 HE ARG 87 HE ARG 87 3.352 1.650 -14.446 675 1HH1 ARG 87 2HH1 ARG 87 5.812 4.094 -14.131 676 2HH1 ARG 87 1HH1 ARG 87 4.755 5.398 -14.562 677 1HH2 ARG 87 1HH2 ARG 87 1.951 3.357 -15.016 678 2HH2 ARG 87 2HH2 ARG 87 2.559 4.979 -15.066 679 H TRP 88 H TRP 88 3.098 1.716 -8.347 680 HA TRP 88 HA TRP 88 2.634 -1.122 -8.015 681 1HB TRP 88 2HB TRP 88 3.255 0.377 -5.492 682 2HB TRP 88 1HB TRP 88 3.264 -1.358 -5.784 683 HD1 TRP 88 HD1 TRP 88 5.507 1.634 -5.699 684 HE1 TRP 88 HE1 TRP 88 7.915 0.931 -6.282 685 HE3 TRP 88 HE3 TRP 88 4.588 -3.111 -7.364 686 HZ2 TRP 88 HZ2 TRP 88 9.247 -1.336 -7.312 687 HZ3 TRP 88 HZ3 TRP 88 6.482 -4.482 -8.128 688 HH2 TRP 88 HH2 TRP 88 8.763 -3.611 -8.102 689 H ASP 89 H ASP 89 1.109 -1.144 -5.785 690 HA ASP 89 HA ASP 89 -1.204 0.358 -6.623 691 1HB ASP 89 2HB ASP 89 -1.090 -1.309 -4.130 692 2HB ASP 89 1HB ASP 89 -2.436 -1.046 -5.231 693 H ALA 90 H ALA 90 -2.532 0.961 -4.345 694 HA ALA 90 HA ALA 90 -0.778 2.600 -2.683 695 1HB ALA 90 2HB ALA 90 -1.353 4.093 -4.495 696 2HB ALA 90 3HB ALA 90 -2.186 4.600 -3.025 697 3HB ALA 90 1HB ALA 90 -3.068 3.737 -4.284 698 H TYR 91 H TYR 91 -1.500 2.799 -0.604 699 HA TYR 91 HA TYR 91 -4.071 1.528 0.019 700 1HB TYR 91 2HB TYR 91 -1.524 1.918 1.566 701 2HB TYR 91 1HB TYR 91 -3.036 1.603 2.402 702 HD1 TYR 91 HD1 TYR 91 -4.356 -0.535 1.613 703 HD2 TYR 91 HD2 TYR 91 -0.218 0.146 0.871 704 HE1 TYR 91 HE1 TYR 91 -4.024 -2.943 1.271 705 HE2 TYR 91 HE2 TYR 91 0.120 -2.264 0.530 706 HH TYR 91 HH TYR 91 -1.796 -4.300 -0.247 707 H CYS 92 H CYS 92 -5.715 2.740 0.760 708 HA CYS 92 HA CYS 92 -5.176 5.563 1.331 709 1HB CYS 92 2HB CYS 92 -7.355 4.106 0.073 710 2HB CYS 92 1HB CYS 92 -7.935 5.216 1.309 711 H TYR 93 H TYR 93 -6.412 6.613 3.049 712 HA TYR 93 HA TYR 93 -7.353 4.936 5.217 713 1HB TYR 93 2HB TYR 93 -4.870 5.118 5.524 714 2HB TYR 93 1HB TYR 93 -5.065 6.860 5.674 715 HD1 TYR 93 HD1 TYR 93 -6.532 7.742 7.551 716 HD2 TYR 93 HD2 TYR 93 -5.159 3.717 7.394 717 HE1 TYR 93 HE1 TYR 93 -6.977 7.507 9.955 718 HE2 TYR 93 HE2 TYR 93 -5.601 3.469 9.803 719 HH TYR 93 HH TYR 93 -5.832 4.877 11.789 720 H ASN 94 H ASN 94 -9.149 5.852 5.918 721 HA ASN 94 HA ASN 94 -9.259 8.748 6.276 722 1HB ASN 94 2HB ASN 94 -11.002 7.150 4.443 723 2HB ASN 94 1HB ASN 94 -11.707 8.511 5.311 724 1HD2 ASN 94 2HD2 ASN 94 -11.944 9.005 2.893 725 2HD2 ASN 94 1HD2 ASN 94 -10.703 9.996 2.211 726 HA PRO 95 HA PRO 95 -11.176 7.744 10.110 727 1HB PRO 95 2HB PRO 95 -13.041 9.802 10.208 728 2HB PRO 95 1HB PRO 95 -11.359 9.925 10.736 729 1HG PRO 95 2HG PRO 95 -12.614 10.780 8.165 730 2HG PRO 95 1HG PRO 95 -11.333 11.566 9.107 731 1HD PRO 95 1HD PRO 95 -10.791 10.180 6.875 732 2HD PRO 95 2HD PRO 95 -9.687 10.173 8.266 733 H HIS 96 H HIS 96 -13.495 8.893 7.664 734 HA HIS 96 HA HIS 96 -15.394 6.843 8.558 735 1HB HIS 96 2HB HIS 96 -17.121 8.132 7.564 736 2HB HIS 96 1HB HIS 96 -16.077 9.291 8.381 737 HD1 HIS 96 HD1 HIS 96 -14.131 10.300 6.613 738 HD2 HIS 96 HD2 HIS 96 -17.735 8.931 5.063 739 HE1 HIS 96 HE1 HIS 96 -14.335 11.365 4.345 740 HE2 HIS 96 HE2 HIS 96 -16.478 10.447 3.388 741 H ALA 97 H ALA 97 -13.431 7.858 5.880 742 HA ALA 97 HA ALA 97 -13.399 7.133 3.660 743 1HB ALA 97 2HB ALA 97 -11.654 5.831 4.216 744 2HB ALA 97 3HB ALA 97 -12.791 4.507 3.964 745 3HB ALA 97 1HB ALA 97 -12.496 5.117 5.593 746 H LYS 98 H LYS 98 -15.855 7.464 3.552 747 HA LYS 98 HA LYS 98 -17.419 5.029 3.474 748 1HB LYS 98 2HB LYS 98 -18.427 7.122 4.274 749 2HB LYS 98 1HB LYS 98 -18.151 7.860 2.702 750 1HG LYS 98 2HG LYS 98 -19.985 6.945 1.830 751 2HG LYS 98 1HG LYS 98 -19.634 5.364 2.531 752 1HD LYS 98 2HD LYS 98 -20.325 6.803 4.740 753 2HD LYS 98 1HD LYS 98 -21.366 7.520 3.509 754 1HE LYS 98 2HE LYS 98 -21.337 4.652 3.267 755 2HE LYS 98 1HE LYS 98 -21.777 5.131 4.906 756 1HZ LYS 98 3HZ LYS 98 -23.131 6.760 3.046 757 2HZ LYS 98 2HZ LYS 98 -23.393 5.136 2.653 758 3HZ LYS 98 1HZ LYS 98 -23.778 5.705 4.199 No H/Q in entry = 758 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -12.644 3.530 6.243 2 H2 GLY 1 3H GLY 1 -13.331 2.808 7.610 3 H3 GLY 1 2H GLY 1 -12.838 4.425 7.665 4 1HA GLY 1 2HA GLY 1 -11.334 2.072 8.171 5 2HA GLY 1 1HA GLY 1 -10.911 3.747 8.490 6 H VAL 2 H VAL 2 -9.139 1.687 7.591 7 HA VAL 2 HA VAL 2 -8.137 3.011 5.195 8 HB VAL 2 HB VAL 2 -6.451 2.785 6.812 9 1HG1 VAL 2 1HG1 VAL 2 -7.919 0.663 7.762 10 2HG1 VAL 2 3HG1 VAL 2 -6.434 -0.099 7.189 11 3HG1 VAL 2 2HG1 VAL 2 -6.356 1.202 8.379 12 1HG2 VAL 2 2HG2 VAL 2 -6.271 0.789 4.608 13 2HG2 VAL 2 1HG2 VAL 2 -5.368 2.284 4.852 14 3HG2 VAL 2 3HG2 VAL 2 -4.987 0.857 5.815 15 H TYR 3 H TYR 3 -7.777 2.011 3.252 16 HA TYR 3 HA TYR 3 -8.379 -0.826 2.975 17 1HB TYR 3 2HB TYR 3 -9.923 -0.400 1.077 18 2HB TYR 3 1HB TYR 3 -10.546 0.198 2.611 19 HD1 TYR 3 HD1 TYR 3 -10.350 2.681 3.105 20 HD2 TYR 3 HD2 TYR 3 -9.668 1.042 -0.761 21 HE1 TYR 3 HE1 TYR 3 -10.677 4.908 2.111 22 HE2 TYR 3 HE2 TYR 3 -9.992 3.263 -1.767 23 HH TYR 3 HH TYR 3 -9.682 5.857 -0.638 24 H HIS 4 H HIS 4 -8.254 -1.251 0.382 25 HA HIS 4 HA HIS 4 -5.688 -0.059 -0.436 26 1HB HIS 4 2HB HIS 4 -5.318 -2.364 -0.031 27 2HB HIS 4 1HB HIS 4 -6.808 -2.826 -0.847 28 HD1 HIS 4 HD1 HIS 4 -6.784 -2.817 -3.454 29 HD2 HIS 4 HD2 HIS 4 -3.111 -2.021 -1.685 30 HE1 HIS 4 HE1 HIS 4 -5.087 -3.060 -5.293 31 HE2 HIS 4 HE2 HIS 4 -2.862 -2.683 -4.173 32 H ARG 5 H ARG 5 -5.326 0.263 -2.697 33 HA ARG 5 HA ARG 5 -7.571 0.121 -4.512 34 1HB ARG 5 2HB ARG 5 -7.761 2.284 -3.149 35 2HB ARG 5 1HB ARG 5 -6.333 2.819 -4.021 36 1HG ARG 5 2HG ARG 5 -8.173 3.725 -5.171 37 2HG ARG 5 1HG ARG 5 -7.618 2.365 -6.149 38 1HD ARG 5 2HD ARG 5 -9.785 1.773 -6.144 39 2HD ARG 5 1HD ARG 5 -9.421 1.138 -4.541 40 HE ARG 5 HE ARG 5 -10.206 3.393 -3.721 41 1HH1 ARG 5 1HH1 ARG 5 -11.359 1.978 -6.688 42 2HH1 ARG 5 2HH1 ARG 5 -12.877 2.809 -6.647 43 1HH2 ARG 5 1HH2 ARG 5 -12.204 4.493 -3.657 44 2HH2 ARG 5 2HH2 ARG 5 -13.358 4.239 -4.924 45 H GLU 6 H GLU 6 -6.952 0.881 -6.719 46 HA GLU 6 HA GLU 6 -4.053 0.595 -7.167 47 1HB GLU 6 2HB GLU 6 -4.481 -0.675 -9.165 48 2HB GLU 6 1HB GLU 6 -5.341 -1.432 -7.831 49 1HG GLU 6 2HG GLU 6 -6.596 0.427 -9.836 50 2HG GLU 6 1HG GLU 6 -6.638 -1.333 -9.932 51 H ALA 7 H ALA 7 -3.916 1.084 -9.830 52 HA ALA 7 HA ALA 7 -4.519 3.931 -9.924 53 1HB ALA 7 3HB ALA 7 -2.577 4.067 -10.987 54 2HB ALA 7 2HB ALA 7 -2.402 2.317 -10.861 55 3HB ALA 7 1HB ALA 7 -3.181 3.026 -12.275 56 H ARG 8 H ARG 8 -5.619 4.936 -11.638 57 HA ARG 8 HA ARG 8 -7.924 3.632 -12.547 58 1HB ARG 8 2HB ARG 8 -6.565 6.205 -13.260 59 2HB ARG 8 1HB ARG 8 -7.929 5.649 -14.221 60 1HG ARG 8 2HG ARG 8 -8.193 5.778 -11.256 61 2HG ARG 8 1HG ARG 8 -8.290 7.263 -12.205 62 1HD ARG 8 2HD ARG 8 -10.121 6.374 -13.494 63 2HD ARG 8 1HD ARG 8 -9.971 4.809 -12.697 64 HE ARG 8 HE ARG 8 -10.453 6.984 -10.882 65 1HH1 ARG 8 1HH1 ARG 8 -11.924 4.635 -12.989 66 2HH1 ARG 8 2HH1 ARG 8 -13.442 4.646 -12.156 67 1HH2 ARG 8 1HH2 ARG 8 -12.449 7.007 -9.776 68 2HH2 ARG 8 2HH2 ARG 8 -13.741 5.995 -10.330 69 H SER 9 H SER 9 -4.735 3.531 -13.710 70 HA SER 9 HA SER 9 -5.566 2.672 -16.382 71 1HB SER 9 2HB SER 9 -3.108 3.820 -15.229 72 2HB SER 9 1HB SER 9 -2.839 2.539 -16.411 73 HG SER 9 HG SER 9 -4.370 4.899 -16.790 74 H GLY 10 H GLY 10 -4.331 1.468 -13.379 75 1HA GLY 10 2HA GLY 10 -3.598 -1.105 -14.553 76 2HA GLY 10 1HA GLY 10 -4.990 -1.092 -13.478 77 H LYS 11 H LYS 11 -3.558 -2.667 -12.343 78 HA LYS 11 HA LYS 11 -2.489 -1.513 -10.017 79 1HB LYS 11 2HB LYS 11 -3.333 -3.717 -9.851 80 2HB LYS 11 1HB LYS 11 -2.339 -4.284 -11.186 81 1HG LYS 11 2HG LYS 11 -0.403 -4.324 -9.890 82 2HG LYS 11 1HG LYS 11 -1.099 -3.277 -8.651 83 1HD LYS 11 2HD LYS 11 -1.950 -5.014 -7.542 84 2HD LYS 11 1HD LYS 11 -2.653 -5.695 -9.011 85 1HE LYS 11 2HE LYS 11 0.230 -5.981 -8.174 86 2HE LYS 11 1HE LYS 11 -1.019 -7.202 -7.934 87 1HZ LYS 11 2HZ LYS 11 -1.340 -7.083 -10.427 88 2HZ LYS 11 1HZ LYS 11 0.124 -6.235 -10.485 89 3HZ LYS 11 3HZ LYS 11 0.085 -7.817 -9.884 90 H TYR 12 H TYR 12 -0.322 -1.532 -9.223 91 HA TYR 12 HA TYR 12 1.885 -1.006 -9.354 92 1HB TYR 12 2HB TYR 12 1.650 -3.047 -11.558 93 2HB TYR 12 1HB TYR 12 3.192 -2.310 -11.134 94 HD1 TYR 12 HD1 TYR 12 1.216 -2.556 -8.237 95 HD2 TYR 12 HD2 TYR 12 3.634 -4.895 -10.843 96 HE1 TYR 12 HE1 TYR 12 1.518 -4.221 -6.454 97 HE2 TYR 12 HE2 TYR 12 3.943 -6.566 -9.066 98 HH TYR 12 HH TYR 12 3.806 -6.794 -6.708 99 H LYS 13 H LYS 13 0.422 0.979 -10.321 100 HA LYS 13 HA LYS 13 2.056 2.002 -12.510 101 1HB LYS 13 2HB LYS 13 -0.839 1.458 -12.589 102 2HB LYS 13 1HB LYS 13 -0.365 3.048 -13.164 103 1HG LYS 13 2HG LYS 13 1.431 1.525 -14.466 104 2HG LYS 13 1HG LYS 13 0.085 0.390 -14.342 105 1HD LYS 13 2HD LYS 13 -1.143 2.735 -15.100 106 2HD LYS 13 1HD LYS 13 0.376 2.767 -16.000 107 1HE LYS 13 2HE LYS 13 -1.242 0.261 -15.946 108 2HE LYS 13 1HE LYS 13 -1.741 1.587 -16.995 109 1HZ LYS 13 1HZ LYS 13 1.067 0.823 -17.105 110 2HZ LYS 13 3HZ LYS 13 -0.040 -0.279 -17.759 111 3HZ LYS 13 2HZ LYS 13 0.025 1.305 -18.349 112 H LEU 14 H LEU 14 0.940 2.348 -9.478 113 HA LEU 14 HA LEU 14 0.710 5.275 -9.588 114 1HB LEU 14 2HB LEU 14 -0.203 3.180 -7.663 115 2HB LEU 14 1HB LEU 14 0.067 4.812 -7.087 116 HG LEU 14 HG LEU 14 -1.679 4.400 -9.475 117 1HD1 LEU 14 3HD1 LEU 14 -2.217 2.854 -7.383 118 2HD1 LEU 14 2HD1 LEU 14 -2.953 4.348 -6.800 119 3HD1 LEU 14 1HD1 LEU 14 -3.484 3.641 -8.326 120 1HD2 LEU 14 1HD2 LEU 14 -1.127 6.479 -7.474 121 2HD2 LEU 14 3HD2 LEU 14 -1.642 6.623 -9.155 122 3HD2 LEU 14 2HD2 LEU 14 -2.828 6.273 -7.897 123 H THR 15 H THR 15 1.974 6.591 -8.311 124 HA THR 15 HA THR 15 4.392 5.326 -7.192 125 HB THR 15 HB THR 15 5.654 7.275 -7.739 126 HG1 THR 15 HG1 THR 15 3.152 8.435 -7.903 127 1HG2 THR 15 1HG2 THR 15 3.978 6.081 -9.863 128 2HG2 THR 15 3HG2 THR 15 4.838 7.562 -10.285 129 3HG2 THR 15 2HG2 THR 15 5.733 6.154 -9.711 130 H TYR 16 H TYR 16 5.262 6.266 -5.247 131 HA TYR 16 HA TYR 16 3.602 6.625 -3.169 132 1HB TYR 16 2HB TYR 16 5.968 6.519 -2.783 133 2HB TYR 16 1HB TYR 16 6.231 8.038 -3.635 134 HD1 TYR 16 HD1 TYR 16 4.467 6.637 -0.660 135 HD2 TYR 16 HD2 TYR 16 6.344 10.020 -2.437 136 HE1 TYR 16 HE1 TYR 16 4.251 7.865 1.460 137 HE2 TYR 16 HE2 TYR 16 6.132 11.256 -0.321 138 HH TYR 16 HH TYR 16 4.667 11.185 1.715 139 H ALA 17 H ALA 17 4.585 9.162 -5.418 140 HA ALA 17 HA ALA 17 3.189 11.246 -4.044 141 1HB ALA 17 1HB ALA 17 5.117 11.738 -5.448 142 2HB ALA 17 2HB ALA 17 3.689 12.600 -6.023 143 3HB ALA 17 3HB ALA 17 4.248 11.156 -6.868 144 H GLU 18 H GLU 18 2.445 9.134 -6.795 145 HA GLU 18 HA GLU 18 0.015 10.438 -7.485 146 1HB GLU 18 2HB GLU 18 1.047 7.656 -8.054 147 2HB GLU 18 1HB GLU 18 -0.424 8.316 -8.747 148 1HG GLU 18 2HG GLU 18 0.899 10.111 -9.788 149 2HG GLU 18 1HG GLU 18 2.363 9.373 -9.143 150 H ALA 19 H ALA 19 0.849 7.602 -5.564 151 HA ALA 19 HA ALA 19 -1.714 6.732 -4.903 152 1HB ALA 19 1HB ALA 19 -0.276 5.161 -4.186 153 2HB ALA 19 2HB ALA 19 -0.254 6.097 -2.692 154 3HB ALA 19 3HB ALA 19 1.010 6.333 -3.901 155 H LYS 20 H LYS 20 0.443 9.012 -3.257 156 HA LYS 20 HA LYS 20 -1.304 9.577 -1.098 157 1HB LYS 20 2HB LYS 20 1.250 10.012 -1.363 158 2HB LYS 20 1HB LYS 20 0.747 11.508 -2.132 159 1HG LYS 20 2HG LYS 20 -0.745 11.533 0.149 160 2HG LYS 20 1HG LYS 20 0.742 10.749 0.689 161 1HD LYS 20 2HD LYS 20 2.008 12.641 -0.368 162 2HD LYS 20 1HD LYS 20 0.459 13.446 -0.624 163 1HE LYS 20 2HE LYS 20 0.079 13.705 1.666 164 2HE LYS 20 1HE LYS 20 1.272 12.480 2.095 165 1HZ LYS 20 3HZ LYS 20 2.488 14.593 0.650 166 2HZ LYS 20 2HZ LYS 20 1.654 15.209 1.987 167 3HZ LYS 20 1HZ LYS 20 2.839 14.022 2.204 168 H ALA 21 H ALA 21 -1.044 10.732 -4.348 169 HA ALA 21 HA ALA 21 -2.464 13.169 -4.011 170 1HB ALA 21 2HB ALA 21 -2.796 12.974 -6.516 171 2HB ALA 21 1HB ALA 21 -1.127 12.990 -5.946 172 3HB ALA 21 3HB ALA 21 -1.882 11.469 -6.420 173 H VAL 22 H VAL 22 -3.421 9.882 -4.873 174 HA VAL 22 HA VAL 22 -6.120 10.456 -5.462 175 HB VAL 22 HB VAL 22 -4.624 7.963 -4.773 176 1HG1 VAL 22 3HG1 VAL 22 -7.627 8.162 -4.962 177 2HG1 VAL 22 2HG1 VAL 22 -6.705 6.658 -4.955 178 3HG1 VAL 22 1HG1 VAL 22 -6.692 7.709 -3.538 179 1HG2 VAL 22 3HG2 VAL 22 -6.268 8.882 -7.125 180 2HG2 VAL 22 2HG2 VAL 22 -4.518 8.682 -7.051 181 3HG2 VAL 22 1HG2 VAL 22 -5.571 7.270 -6.978 182 H CYS 23 H CYS 23 -4.585 9.223 -2.504 183 HA CYS 23 HA CYS 23 -6.982 9.199 -0.990 184 1HB CYS 23 2HB CYS 23 -4.371 8.353 -0.570 185 2HB CYS 23 1HB CYS 23 -4.582 9.647 0.604 186 H GLU 24 H GLU 24 -4.261 11.495 -1.079 187 HA GLU 24 HA GLU 24 -5.551 13.391 0.619 188 1HB GLU 24 2HB GLU 24 -3.018 13.089 0.073 189 2HB GLU 24 1HB GLU 24 -3.370 14.124 -1.304 190 1HG GLU 24 2HG GLU 24 -3.704 15.966 -0.018 191 2HG GLU 24 1HG GLU 24 -4.278 15.034 1.364 192 H PHE 25 H PHE 25 -6.246 12.454 -2.450 193 HA PHE 25 HA PHE 25 -6.698 14.892 -3.799 194 1HB PHE 25 2HB PHE 25 -6.775 12.291 -4.534 195 2HB PHE 25 1HB PHE 25 -8.499 12.614 -4.385 196 HD1 PHE 25 HD1 PHE 25 -5.405 13.865 -6.004 197 HD2 PHE 25 HD2 PHE 25 -9.653 13.662 -6.095 198 HE1 PHE 25 HE1 PHE 25 -5.399 14.898 -8.235 199 HE2 PHE 25 HE2 PHE 25 -9.658 14.698 -8.330 200 HZ PHE 25 HZ PHE 25 -7.528 15.317 -9.403 201 H GLU 26 H GLU 26 -8.772 12.804 -1.854 202 HA GLU 26 HA GLU 26 -10.722 15.007 -1.688 203 1HB GLU 26 2HB GLU 26 -11.605 12.232 -1.144 204 2HB GLU 26 1HB GLU 26 -12.465 13.555 -1.920 205 1HG GLU 26 2HG GLU 26 -11.017 13.234 -3.917 206 2HG GLU 26 1HG GLU 26 -10.347 11.806 -3.137 207 H GLY 27 H GLY 27 -8.919 15.379 0.087 208 1HA GLY 27 1HA GLY 27 -10.129 15.252 2.563 209 2HA GLY 27 2HA GLY 27 -8.406 15.493 2.318 210 H GLY 28 H GLY 28 -7.417 13.210 1.453 211 1HA GLY 28 2HA GLY 28 -7.975 10.742 1.996 212 2HA GLY 28 1HA GLY 28 -8.036 11.349 3.646 213 H HIS 29 H HIS 29 -6.332 9.654 3.873 214 HA HIS 29 HA HIS 29 -3.694 10.630 3.041 215 1HB HIS 29 2HB HIS 29 -3.341 9.365 5.510 216 2HB HIS 29 1HB HIS 29 -3.247 11.085 5.178 217 HD1 HIS 29 HD1 HIS 29 -6.135 11.879 4.903 218 HD2 HIS 29 HD2 HIS 29 -4.783 9.220 7.790 219 HE1 HIS 29 HE1 HIS 29 -7.864 11.935 6.727 220 HE2 HIS 29 HE2 HIS 29 -7.071 10.248 8.422 221 H LEU 30 H LEU 30 -2.245 9.078 2.420 222 HA LEU 30 HA LEU 30 -3.311 6.485 1.850 223 1HB LEU 30 2HB LEU 30 -1.720 6.428 0.313 224 2HB LEU 30 1HB LEU 30 -1.258 8.042 0.813 225 HG LEU 30 HG LEU 30 0.091 6.464 2.614 226 1HD1 LEU 30 1HD1 LEU 30 -0.726 4.573 0.980 227 2HD1 LEU 30 3HD1 LEU 30 0.648 5.126 0.023 228 3HD1 LEU 30 2HD1 LEU 30 0.896 4.552 1.672 229 1HD2 LEU 30 1HD2 LEU 30 0.715 8.026 0.212 230 2HD2 LEU 30 3HD2 LEU 30 1.447 8.066 1.817 231 3HD2 LEU 30 2HD2 LEU 30 1.941 6.834 0.653 232 H ALA 31 H ALA 31 -3.275 4.757 3.064 233 HA ALA 31 HA ALA 31 -2.534 4.679 5.700 234 1HB ALA 31 1HB ALA 31 -3.346 2.736 3.706 235 2HB ALA 31 3HB ALA 31 -2.260 2.046 4.913 236 3HB ALA 31 2HB ALA 31 -3.752 2.838 5.420 237 H THR 32 H THR 32 -0.829 3.657 6.853 238 HA THR 32 HA THR 32 1.738 3.749 5.414 239 HB THR 32 HB THR 32 2.820 4.178 7.506 240 HG1 THR 32 HG1 THR 32 1.514 2.804 8.819 241 1HG2 THR 32 2HG2 THR 32 0.411 5.799 6.863 242 2HG2 THR 32 1HG2 THR 32 1.274 6.149 8.361 243 3HG2 THR 32 3HG2 THR 32 2.117 6.241 6.815 244 H TYR 33 H TYR 33 3.282 2.403 7.281 245 HA TYR 33 HA TYR 33 2.719 -0.323 6.581 246 1HB TYR 33 2HB TYR 33 5.025 0.381 6.659 247 2HB TYR 33 1HB TYR 33 4.853 0.920 8.323 248 HD1 TYR 33 HD1 TYR 33 4.366 -2.203 6.322 249 HD2 TYR 33 HD2 TYR 33 5.703 -0.455 9.963 250 HE1 TYR 33 HE1 TYR 33 5.084 -4.415 7.111 251 HE2 TYR 33 HE2 TYR 33 6.429 -2.665 10.763 252 HH TYR 33 HH TYR 33 5.950 -5.582 8.791 253 H LYS 34 H LYS 34 3.435 1.084 9.750 254 HA LYS 34 HA LYS 34 2.460 -0.900 11.348 255 1HB LYS 34 2HB LYS 34 2.352 2.084 11.805 256 2HB LYS 34 1HB LYS 34 2.029 0.892 13.053 257 1HG LYS 34 2HG LYS 34 4.459 0.080 12.106 258 2HG LYS 34 1HG LYS 34 4.565 1.837 11.971 259 1HD LYS 34 2HD LYS 34 3.714 1.919 14.366 260 2HD LYS 34 1HD LYS 34 4.031 0.185 14.427 261 1HE LYS 34 2HE LYS 34 6.046 0.885 15.178 262 2HE LYS 34 1HE LYS 34 6.379 1.018 13.452 263 1HZ LYS 34 1HZ LYS 34 5.705 3.373 13.596 264 2HZ LYS 34 3HZ LYS 34 5.553 3.213 15.273 265 3HZ LYS 34 2HZ LYS 34 7.064 3.019 14.537 266 H GLN 35 H GLN 35 0.632 1.762 9.881 267 HA GLN 35 HA GLN 35 -1.837 1.176 11.102 268 1HB GLN 35 2HB GLN 35 -1.182 2.562 8.499 269 2HB GLN 35 1HB GLN 35 -2.790 2.504 9.201 270 1HG GLN 35 2HG GLN 35 -1.997 3.696 11.164 271 2HG GLN 35 1HG GLN 35 -0.366 3.726 10.496 272 1HE2 GLN 35 1HE2 GLN 35 -1.578 6.046 11.227 273 2HE2 GLN 35 2HE2 GLN 35 -1.968 6.978 9.825 274 H LEU 36 H LEU 36 -0.452 0.206 7.977 275 HA LEU 36 HA LEU 36 -2.630 -1.221 6.993 276 1HB LEU 36 2HB LEU 36 -0.297 -0.599 5.973 277 2HB LEU 36 1HB LEU 36 0.173 -2.165 6.583 278 HG LEU 36 HG LEU 36 -0.484 -2.181 4.184 279 1HD1 LEU 36 3HD1 LEU 36 -2.207 -3.786 6.064 280 2HD1 LEU 36 2HD1 LEU 36 -2.007 -4.123 4.344 281 3HD1 LEU 36 1HD1 LEU 36 -0.622 -4.234 5.431 282 1HD2 LEU 36 2HD2 LEU 36 -2.670 -0.671 5.165 283 2HD2 LEU 36 1HD2 LEU 36 -2.303 -1.117 3.499 284 3HD2 LEU 36 3HD2 LEU 36 -3.308 -2.173 4.493 285 H GLU 37 H GLU 37 -0.064 -2.098 9.208 286 HA GLU 37 HA GLU 37 -0.488 -4.847 9.402 287 1HB GLU 37 2HB GLU 37 1.423 -3.613 10.405 288 2HB GLU 37 1HB GLU 37 0.332 -2.972 11.623 289 1HG GLU 37 2HG GLU 37 -0.182 -5.517 12.020 290 2HG GLU 37 1HG GLU 37 1.417 -5.715 11.306 291 H ALA 38 H ALA 38 -1.668 -2.337 11.614 292 HA ALA 38 HA ALA 38 -3.364 -3.923 13.117 293 1HB ALA 38 2HB ALA 38 -2.638 -1.404 13.348 294 2HB ALA 38 3HB ALA 38 -4.135 -1.991 14.076 295 3HB ALA 38 1HB ALA 38 -4.181 -1.120 12.543 296 H ALA 39 H ALA 39 -3.725 -2.793 9.900 297 HA ALA 39 HA ALA 39 -6.609 -3.272 9.849 298 1HB ALA 39 3HB ALA 39 -4.758 -2.482 7.599 299 2HB ALA 39 1HB ALA 39 -5.647 -1.348 8.616 300 3HB ALA 39 2HB ALA 39 -6.521 -2.465 7.568 301 H ARG 40 H ARG 40 -3.601 -4.708 8.975 302 HA ARG 40 HA ARG 40 -4.602 -6.719 7.234 303 1HB ARG 40 2HB ARG 40 -2.305 -6.153 7.051 304 2HB ARG 40 1HB ARG 40 -2.050 -6.335 8.781 305 1HG ARG 40 2HG ARG 40 -2.550 -8.789 8.474 306 2HG ARG 40 1HG ARG 40 -2.472 -8.498 6.736 307 1HD ARG 40 2HD ARG 40 -0.334 -9.284 7.416 308 2HD ARG 40 1HD ARG 40 -0.179 -7.560 7.082 309 HE ARG 40 HE ARG 40 -0.111 -7.170 9.454 310 1HH1 ARG 40 1HH1 ARG 40 0.150 -10.500 8.466 311 2HH1 ARG 40 2HH1 ARG 40 0.887 -11.016 9.946 312 1HH2 ARG 40 2HH2 ARG 40 0.861 -7.839 11.406 313 2HH2 ARG 40 1HH2 ARG 40 1.291 -9.505 11.617 314 H LYS 41 H LYS 41 -4.048 -6.411 10.677 315 HA LYS 41 HA LYS 41 -4.431 -9.165 11.271 316 1HB LYS 41 2HB LYS 41 -4.770 -6.860 13.180 317 2HB LYS 41 1HB LYS 41 -4.363 -8.525 13.571 318 1HG LYS 41 2HG LYS 41 -2.295 -8.010 12.011 319 2HG LYS 41 1HG LYS 41 -2.656 -6.354 12.498 320 1HD LYS 41 2HD LYS 41 -2.742 -8.132 14.766 321 2HD LYS 41 1HD LYS 41 -1.193 -8.255 13.928 322 1HE LYS 41 2HE LYS 41 -0.829 -6.538 15.446 323 2HE LYS 41 1HE LYS 41 -1.227 -5.677 13.960 324 1HZ LYS 41 2HZ LYS 41 -3.493 -6.313 15.639 325 2HZ LYS 41 1HZ LYS 41 -2.394 -5.227 16.327 326 3HZ LYS 41 3HZ LYS 41 -3.111 -4.875 14.835 327 H ILE 42 H ILE 42 -6.544 -6.591 10.567 328 HA ILE 42 HA ILE 42 -8.808 -7.741 11.976 329 HB ILE 42 HB ILE 42 -10.067 -5.860 11.269 330 1HG1 ILE 42 1HG1 ILE 42 -8.040 -4.543 9.619 331 2HG1 ILE 42 2HG1 ILE 42 -8.629 -6.041 8.918 332 1HG2 ILE 42 1HG2 ILE 42 -7.233 -5.177 11.987 333 2HG2 ILE 42 3HG2 ILE 42 -8.482 -3.940 11.836 334 3HG2 ILE 42 2HG2 ILE 42 -8.656 -5.226 13.030 335 1HD1 ILE 42 3HD1 ILE 42 -10.896 -4.662 9.817 336 2HD1 ILE 42 2HD1 ILE 42 -9.873 -3.475 9.005 337 3HD1 ILE 42 1HD1 ILE 42 -10.379 -4.935 8.153 338 H GLY 43 H GLY 43 -7.236 -8.287 9.089 339 1HA GLY 43 1HA GLY 43 -9.704 -9.342 7.851 340 2HA GLY 43 2HA GLY 43 -8.191 -10.238 7.865 341 H PHE 44 H PHE 44 -7.129 -7.222 7.475 342 HA PHE 44 HA PHE 44 -7.819 -6.777 4.716 343 1HB PHE 44 2HB PHE 44 -7.182 -5.013 6.495 344 2HB PHE 44 1HB PHE 44 -5.518 -5.462 6.137 345 HD1 PHE 44 HD1 PHE 44 -7.285 -5.917 3.195 346 HD2 PHE 44 HD2 PHE 44 -5.762 -2.824 5.690 347 HE1 PHE 44 HE1 PHE 44 -7.291 -4.374 1.279 348 HE2 PHE 44 HE2 PHE 44 -5.768 -1.274 3.777 349 HZ PHE 44 HZ PHE 44 -6.531 -2.051 1.569 350 H HIS 45 H HIS 45 -6.788 -7.458 2.947 351 HA HIS 45 HA HIS 45 -4.015 -8.297 3.049 352 1HB HIS 45 2HB HIS 45 -5.226 -10.325 3.746 353 2HB HIS 45 1HB HIS 45 -6.202 -10.244 2.286 354 HD1 HIS 45 HD1 HIS 45 -4.241 -12.610 3.157 355 HD2 HIS 45 HD2 HIS 45 -3.491 -9.690 0.298 356 HE1 HIS 45 HE1 HIS 45 -2.515 -13.600 1.620 357 HE2 HIS 45 HE2 HIS 45 -2.012 -11.781 -0.048 358 H VAL 46 H VAL 46 -3.012 -7.817 1.188 359 HA VAL 46 HA VAL 46 -4.457 -7.830 -1.326 360 HB VAL 46 HB VAL 46 -3.024 -5.331 -1.217 361 1HG1 VAL 46 2HG1 VAL 46 -5.584 -6.422 -2.125 362 2HG1 VAL 46 1HG1 VAL 46 -5.644 -4.725 -1.646 363 3HG1 VAL 46 3HG1 VAL 46 -4.511 -5.251 -2.892 364 1HG2 VAL 46 1HG2 VAL 46 -3.609 -5.372 1.169 365 2HG2 VAL 46 3HG2 VAL 46 -4.467 -4.097 0.299 366 3HG2 VAL 46 2HG2 VAL 46 -5.306 -5.586 0.740 367 H CYS 47 H CYS 47 -3.077 -9.260 -2.241 368 HA CYS 47 HA CYS 47 -0.255 -9.182 -1.924 369 1HB CYS 47 2HB CYS 47 -1.275 -10.491 -4.354 370 2HB CYS 47 1HB CYS 47 -0.264 -11.135 -3.066 371 H ALA 48 H ALA 48 0.194 -6.959 -2.409 372 HA ALA 48 HA ALA 48 1.222 -6.520 -4.970 373 1HB ALA 48 1HB ALA 48 -1.302 -6.380 -5.408 374 2HB ALA 48 2HB ALA 48 -0.284 -5.082 -6.031 375 3HB ALA 48 3HB ALA 48 -1.227 -4.835 -4.561 376 H ALA 49 H ALA 49 2.857 -5.187 -4.604 377 HA ALA 49 HA ALA 49 3.513 -3.925 -2.306 378 1HB ALA 49 3HB ALA 49 5.300 -3.418 -3.515 379 2HB ALA 49 2HB ALA 49 4.429 -3.851 -4.987 380 3HB ALA 49 1HB ALA 49 4.377 -2.193 -4.386 381 H GLY 50 H GLY 50 2.324 -2.600 -1.092 382 1HA GLY 50 2HA GLY 50 0.366 -1.179 -0.878 383 2HA GLY 50 1HA GLY 50 0.760 -0.498 -2.447 384 H TRP 51 H TRP 51 1.645 1.443 -2.412 385 HA TRP 51 HA TRP 51 3.838 2.277 -1.005 386 1HB TRP 51 2HB TRP 51 1.519 3.761 -2.189 387 2HB TRP 51 1HB TRP 51 2.752 4.638 -1.286 388 HD1 TRP 51 HD1 TRP 51 2.011 3.379 -4.675 389 HE1 TRP 51 HE1 TRP 51 4.100 3.564 -6.181 390 HE3 TRP 51 HE3 TRP 51 5.516 4.326 -1.083 391 HZ2 TRP 51 HZ2 TRP 51 6.871 4.053 -5.875 392 HZ3 TRP 51 HZ3 TRP 51 7.858 4.641 -1.763 393 HH2 TRP 51 HH2 TRP 51 8.520 4.504 -4.109 394 H MET 52 H MET 52 4.121 3.722 0.786 395 HA MET 52 HA MET 52 2.116 4.433 2.604 396 1HB MET 52 2HB MET 52 3.100 2.728 4.417 397 2HB MET 52 1HB MET 52 1.685 2.363 3.440 398 1HG MET 52 2HG MET 52 3.000 1.053 1.923 399 2HG MET 52 1HG MET 52 4.489 1.532 2.737 400 1HE MET 52 2HE MET 52 2.165 -1.183 2.185 401 2HE MET 52 1HE MET 52 1.772 -1.919 3.739 402 3HE MET 52 3HE MET 52 1.034 -0.386 3.278 403 H ALA 53 H ALA 53 3.170 4.800 4.897 404 HA ALA 53 HA ALA 53 4.617 6.122 6.058 405 1HB ALA 53 3HB ALA 53 6.951 4.907 4.705 406 2HB ALA 53 2HB ALA 53 6.625 5.139 6.422 407 3HB ALA 53 1HB ALA 53 5.841 3.825 5.545 408 H LYS 54 H LYS 54 7.100 7.146 5.525 409 HA LYS 54 HA LYS 54 6.515 9.470 4.091 410 1HB LYS 54 2HB LYS 54 8.688 8.445 5.612 411 2HB LYS 54 1HB LYS 54 9.337 9.059 4.099 412 1HG LYS 54 2HG LYS 54 8.293 11.217 4.505 413 2HG LYS 54 1HG LYS 54 7.596 10.607 6.005 414 1HD LYS 54 2HD LYS 54 10.181 10.020 6.437 415 2HD LYS 54 1HD LYS 54 10.366 11.433 5.395 416 1HE LYS 54 2HE LYS 54 8.333 11.988 7.302 417 2HE LYS 54 1HE LYS 54 9.734 11.343 8.159 418 1HZ LYS 54 3HZ LYS 54 9.769 13.631 6.266 419 2HZ LYS 54 2HZ LYS 54 9.854 13.743 7.951 420 3HZ LYS 54 1HZ LYS 54 11.113 13.012 7.088 421 H GLY 55 H GLY 55 7.338 6.391 2.921 422 1HA GLY 55 1HA GLY 55 8.659 7.287 0.517 423 2HA GLY 55 2HA GLY 55 6.971 6.853 0.277 424 H ARG 56 H ARG 56 7.256 4.801 2.487 425 HA ARG 56 HA ARG 56 8.953 2.842 1.119 426 1HB ARG 56 2HB ARG 56 9.183 1.732 3.113 427 2HB ARG 56 1HB ARG 56 8.929 3.365 3.710 428 1HG ARG 56 2HG ARG 56 6.592 2.878 4.128 429 2HG ARG 56 1HG ARG 56 6.794 1.256 3.462 430 1HD ARG 56 2HD ARG 56 6.849 1.163 5.878 431 2HD ARG 56 1HD ARG 56 8.434 0.759 5.222 432 HE ARG 56 HE ARG 56 8.292 3.518 5.822 433 1HH1 ARG 56 1HH1 ARG 56 8.555 0.393 7.338 434 2HH1 ARG 56 2HH1 ARG 56 9.391 0.994 8.731 435 1HH2 ARG 56 1HH2 ARG 56 9.392 4.321 7.652 436 2HH2 ARG 56 2HH2 ARG 56 9.866 3.229 8.910 437 H VAL 57 H VAL 57 8.147 1.055 0.146 438 HA VAL 57 HA VAL 57 5.241 0.608 0.317 439 HB VAL 57 HB VAL 57 5.260 1.449 -1.800 440 1HG1 VAL 57 3HG1 VAL 57 8.125 0.621 -1.849 441 2HG1 VAL 57 2HG1 VAL 57 7.288 0.972 -3.362 442 3HG1 VAL 57 1HG1 VAL 57 7.405 2.211 -2.112 443 1HG2 VAL 57 3HG2 VAL 57 5.325 -1.370 -1.713 444 2HG2 VAL 57 2HG2 VAL 57 4.548 -0.335 -2.910 445 3HG2 VAL 57 1HG2 VAL 57 6.207 -0.876 -3.159 446 H GLY 58 H GLY 58 4.794 -1.346 1.061 447 1HA GLY 58 2HA GLY 58 5.816 -3.380 2.032 448 2HA GLY 58 1HA GLY 58 6.726 -3.521 0.536 449 H TYR 59 H TYR 59 5.412 -5.706 1.235 450 HA TYR 59 HA TYR 59 2.979 -5.687 -0.431 451 1HB TYR 59 2HB TYR 59 4.509 -8.216 -0.192 452 2HB TYR 59 1HB TYR 59 3.639 -7.548 -1.572 453 HD1 TYR 59 HD1 TYR 59 4.821 -5.105 -2.257 454 HD2 TYR 59 HD2 TYR 59 6.741 -8.537 -0.633 455 HE1 TYR 59 HE1 TYR 59 6.948 -4.379 -3.252 456 HE2 TYR 59 HE2 TYR 59 8.874 -7.818 -1.622 457 HH TYR 59 HH TYR 59 9.804 -6.413 -3.176 458 HA PRO 60 HA PRO 60 1.731 -6.989 3.835 459 1HB PRO 60 2HB PRO 60 -0.844 -5.965 2.809 460 2HB PRO 60 1HB PRO 60 -0.008 -5.593 4.317 461 1HG PRO 60 2HG PRO 60 -0.135 -3.829 2.300 462 2HG PRO 60 1HG PRO 60 1.284 -3.949 3.352 463 1HD PRO 60 2HD PRO 60 0.898 -4.947 0.567 464 2HD PRO 60 1HD PRO 60 2.346 -4.264 1.333 465 H ILE 61 H ILE 61 1.336 -9.094 4.033 466 HA ILE 61 HA ILE 61 -0.813 -10.294 2.436 467 HB ILE 61 HB ILE 61 1.860 -11.638 2.852 468 1HG1 ILE 61 2HG1 ILE 61 1.840 -9.651 1.254 469 2HG1 ILE 61 1HG1 ILE 61 2.399 -11.184 0.590 470 1HG2 ILE 61 3HG2 ILE 61 -0.128 -13.116 2.708 471 2HG2 ILE 61 2HG2 ILE 61 -0.460 -12.449 1.109 472 3HG2 ILE 61 1HG2 ILE 61 1.026 -13.354 1.396 473 1HD1 ILE 61 1HD1 ILE 61 -0.389 -11.043 0.166 474 2HD1 ILE 61 3HD1 ILE 61 0.313 -9.504 -0.331 475 3HD1 ILE 61 2HD1 ILE 61 0.910 -11.012 -1.026 476 H VAL 62 H VAL 62 -2.216 -10.617 4.095 477 HA VAL 62 HA VAL 62 -1.418 -11.481 6.691 478 HB VAL 62 HB VAL 62 -3.624 -10.259 5.834 479 1HG1 VAL 62 2HG1 VAL 62 -4.380 -13.173 5.907 480 2HG1 VAL 62 1HG1 VAL 62 -5.538 -11.844 5.971 481 3HG1 VAL 62 3HG1 VAL 62 -4.524 -12.061 4.545 482 1HG2 VAL 62 2HG2 VAL 62 -2.826 -10.660 8.182 483 2HG2 VAL 62 1HG2 VAL 62 -4.577 -10.626 7.979 484 3HG2 VAL 62 3HG2 VAL 62 -3.740 -12.168 8.157 485 H LYS 63 H LYS 63 -2.813 -13.084 3.872 486 HA LYS 63 HA LYS 63 -2.348 -15.681 5.186 487 1HB LYS 63 2HB LYS 63 -4.718 -14.874 4.324 488 2HB LYS 63 1HB LYS 63 -4.095 -15.430 2.778 489 1HG LYS 63 2HG LYS 63 -3.870 -17.254 5.109 490 2HG LYS 63 1HG LYS 63 -5.458 -17.016 4.378 491 1HD LYS 63 2HD LYS 63 -4.575 -17.670 2.206 492 2HD LYS 63 1HD LYS 63 -2.966 -17.859 2.903 493 1HE LYS 63 2HE LYS 63 -3.614 -20.023 3.024 494 2HE LYS 63 1HE LYS 63 -4.318 -19.471 4.542 495 1HZ LYS 63 3HZ LYS 63 -6.345 -18.962 2.987 496 2HZ LYS 63 2HZ LYS 63 -5.641 -20.162 2.024 497 3HZ LYS 63 1HZ LYS 63 -6.097 -20.514 3.615 498 HA PRO 64 HA PRO 64 1.062 -15.579 2.150 499 1HB PRO 64 2HB PRO 64 1.982 -18.047 3.103 500 2HB PRO 64 1HB PRO 64 2.558 -16.458 3.606 501 1HG PRO 64 2HG PRO 64 0.604 -18.271 4.926 502 2HG PRO 64 1HG PRO 64 1.786 -17.169 5.650 503 1HD PRO 64 1HD PRO 64 -0.834 -16.584 5.584 504 2HD PRO 64 2HD PRO 64 0.407 -15.325 5.402 505 H GLY 65 H GLY 65 1.298 -16.596 0.211 506 1HA GLY 65 2HA GLY 65 -0.673 -17.767 -1.154 507 2HA GLY 65 1HA GLY 65 -0.021 -19.146 -0.283 508 HA PRO 66 HA PRO 66 2.734 -19.680 -3.691 509 1HB PRO 66 2HB PRO 66 1.326 -19.649 -6.024 510 2HB PRO 66 1HB PRO 66 1.286 -20.995 -4.883 511 1HG PRO 66 2HG PRO 66 -0.677 -18.772 -5.265 512 2HG PRO 66 1HG PRO 66 -0.978 -20.494 -4.972 513 1HD PRO 66 2HD PRO 66 -1.164 -18.621 -3.022 514 2HD PRO 66 1HD PRO 66 -0.653 -20.289 -2.696 515 H ASN 67 H ASN 67 0.593 -17.639 -5.627 516 HA ASN 67 HA ASN 67 2.854 -15.855 -6.146 517 1HB ASN 67 2HB ASN 67 2.099 -15.945 -8.249 518 2HB ASN 67 1HB ASN 67 0.701 -16.886 -7.734 519 1HD2 ASN 67 1HD2 ASN 67 -1.202 -15.758 -7.096 520 2HD2 ASN 67 2HD2 ASN 67 -1.528 -14.178 -7.714 521 H CYS 68 H CYS 68 0.064 -16.017 -4.267 522 HA CYS 68 HA CYS 68 -0.203 -13.097 -4.129 523 1HB CYS 68 2HB CYS 68 -2.102 -15.169 -4.127 524 2HB CYS 68 1HB CYS 68 -2.093 -14.535 -2.485 525 H GLY 69 H GLY 69 2.112 -13.954 -3.019 526 1HA GLY 69 1HA GLY 69 1.724 -14.402 -0.172 527 2HA GLY 69 2HA GLY 69 2.353 -12.817 -0.608 528 H PHE 70 H PHE 70 3.110 -15.732 -2.393 529 HA PHE 70 HA PHE 70 5.067 -16.811 -2.800 530 1HB PHE 70 2HB PHE 70 6.143 -14.166 -1.830 531 2HB PHE 70 1HB PHE 70 7.198 -15.470 -2.364 532 HD1 PHE 70 HD1 PHE 70 6.640 -16.453 -4.729 533 HD2 PHE 70 HD2 PHE 70 5.443 -12.605 -3.364 534 HE1 PHE 70 HE1 PHE 70 6.385 -15.711 -7.060 535 HE2 PHE 70 HE2 PHE 70 5.185 -11.854 -5.693 536 HZ PHE 70 HZ PHE 70 5.658 -13.409 -7.545 537 H GLY 71 H GLY 71 3.719 -17.163 -0.261 538 1HA GLY 71 1HA GLY 71 5.717 -18.675 1.083 539 2HA GLY 71 2HA GLY 71 4.075 -18.394 1.651 540 H LYS 72 H LYS 72 4.784 -15.395 1.279 541 HA LYS 72 HA LYS 72 6.556 -15.039 3.575 542 1HB LYS 72 2HB LYS 72 5.368 -13.003 1.681 543 2HB LYS 72 1HB LYS 72 6.523 -12.652 2.961 544 1HG LYS 72 2HG LYS 72 8.210 -13.979 1.864 545 2HG LYS 72 1HG LYS 72 7.054 -14.481 0.628 546 1HD LYS 72 2HD LYS 72 7.260 -12.558 -0.516 547 2HD LYS 72 1HD LYS 72 7.289 -11.578 0.952 548 1HE LYS 72 2HE LYS 72 9.431 -11.233 0.293 549 2HE LYS 72 1HE LYS 72 9.680 -12.735 1.185 550 1HZ LYS 72 1HZ LYS 72 8.937 -13.089 -1.585 551 2HZ LYS 72 3HZ LYS 72 10.436 -12.335 -1.357 552 3HZ LYS 72 2HZ LYS 72 10.141 -13.857 -0.679 553 H THR 73 H THR 73 5.965 -13.816 5.401 554 HA THR 73 HA THR 73 3.057 -13.557 5.805 555 HB THR 73 HB THR 73 4.030 -13.773 8.340 556 HG1 THR 73 HG1 THR 73 6.070 -14.431 7.883 557 1HG2 THR 73 3HG2 THR 73 3.103 -15.995 6.520 558 2HG2 THR 73 2HG2 THR 73 3.164 -16.089 8.281 559 3HG2 THR 73 1HG2 THR 73 2.081 -14.939 7.496 560 H GLY 74 H GLY 74 2.329 -11.605 6.359 561 1HA GLY 74 2HA GLY 74 4.021 -9.749 7.825 562 2HA GLY 74 1HA GLY 74 2.323 -9.523 7.424 563 H ILE 75 H ILE 75 3.225 -7.313 6.956 564 HA ILE 75 HA ILE 75 3.320 -6.895 4.179 565 HB ILE 75 HB ILE 75 4.290 -4.920 6.228 566 1HG1 ILE 75 2HG1 ILE 75 1.727 -4.237 6.002 567 2HG1 ILE 75 1HG1 ILE 75 1.548 -5.963 5.719 568 1HG2 ILE 75 3HG2 ILE 75 4.050 -4.783 3.479 569 2HG2 ILE 75 2HG2 ILE 75 2.607 -3.962 4.074 570 3HG2 ILE 75 1HG2 ILE 75 4.204 -3.420 4.589 571 1HD1 ILE 75 3HD1 ILE 75 3.179 -5.806 7.947 572 2HD1 ILE 75 2HD1 ILE 75 1.986 -4.527 8.181 573 3HD1 ILE 75 1HD1 ILE 75 1.458 -6.189 7.918 574 H ILE 76 H ILE 76 4.997 -7.891 3.138 575 HA ILE 76 HA ILE 76 7.689 -7.829 4.066 576 HB ILE 76 HB ILE 76 6.835 -8.329 1.220 577 1HG1 ILE 76 2HG1 ILE 76 5.421 -9.736 2.556 578 2HG1 ILE 76 1HG1 ILE 76 6.709 -10.745 1.907 579 1HG2 ILE 76 3HG2 ILE 76 9.320 -8.319 2.511 580 2HG2 ILE 76 2HG2 ILE 76 8.915 -10.016 2.249 581 3HG2 ILE 76 1HG2 ILE 76 8.954 -8.897 0.886 582 1HD1 ILE 76 2HD1 ILE 76 6.649 -9.596 4.685 583 2HD1 ILE 76 1HD1 ILE 76 6.200 -11.246 4.248 584 3HD1 ILE 76 3HD1 ILE 76 7.861 -10.695 4.026 585 H ASP 77 H ASP 77 7.931 -5.542 4.458 586 HA ASP 77 HA ASP 77 8.249 -3.914 2.034 587 1HB ASP 77 2HB ASP 77 6.839 -2.741 3.483 588 2HB ASP 77 1HB ASP 77 7.739 -3.233 4.913 589 H TYR 78 H TYR 78 10.224 -3.523 1.304 590 HA TYR 78 HA TYR 78 12.526 -4.284 2.880 591 1HB TYR 78 2HB TYR 78 12.252 -3.280 0.041 592 2HB TYR 78 1HB TYR 78 13.769 -3.772 0.779 593 HD1 TYR 78 HD1 TYR 78 10.319 -5.196 0.535 594 HD2 TYR 78 HD2 TYR 78 14.501 -5.847 0.102 595 HE1 TYR 78 HE1 TYR 78 9.880 -7.520 -0.134 596 HE2 TYR 78 HE2 TYR 78 14.075 -8.174 -0.570 597 HH TYR 78 HH TYR 78 12.316 -9.875 -0.308 598 H GLY 79 H GLY 79 10.697 -1.555 2.646 599 1HA GLY 79 2HA GLY 79 12.884 0.089 3.680 600 2HA GLY 79 1HA GLY 79 11.163 0.455 3.787 601 H ILE 80 H ILE 80 12.113 2.605 3.089 602 HA ILE 80 HA ILE 80 11.390 3.128 0.432 603 HB ILE 80 HB ILE 80 13.196 4.866 2.110 604 1HG1 ILE 80 1HG1 ILE 80 10.192 5.058 2.054 605 2HG1 ILE 80 2HG1 ILE 80 11.013 4.022 3.217 606 1HG2 ILE 80 3HG2 ILE 80 11.800 5.169 -0.429 607 2HG2 ILE 80 2HG2 ILE 80 11.455 6.466 0.714 608 3HG2 ILE 80 1HG2 ILE 80 13.122 6.113 0.258 609 1HD1 ILE 80 1HD1 ILE 80 12.253 6.566 3.293 610 2HD1 ILE 80 3HD1 ILE 80 10.507 6.797 3.372 611 3HD1 ILE 80 2HD1 ILE 80 11.311 5.755 4.545 612 H ARG 81 H ARG 81 12.456 2.970 -1.433 613 HA ARG 81 HA ARG 81 15.303 2.283 -1.347 614 1HB ARG 81 2HB ARG 81 13.391 2.065 -3.676 615 2HB ARG 81 1HB ARG 81 15.009 1.383 -3.571 616 1HG ARG 81 2HG ARG 81 13.292 0.509 -1.398 617 2HG ARG 81 1HG ARG 81 12.650 0.090 -2.988 618 1HD ARG 81 2HD ARG 81 15.221 -0.599 -3.340 619 2HD ARG 81 1HD ARG 81 15.079 -0.866 -1.603 620 HE ARG 81 HE ARG 81 12.889 -2.073 -2.842 621 1HH1 ARG 81 2HH1 ARG 81 16.351 -2.421 -2.690 622 2HH1 ARG 81 1HH1 ARG 81 16.321 -4.129 -2.973 623 1HH2 ARG 81 2HH2 ARG 81 12.839 -4.322 -3.216 624 2HH2 ARG 81 1HH2 ARG 81 14.324 -5.210 -3.273 625 H LEU 82 H LEU 82 13.938 5.041 -1.248 626 HA LEU 82 HA LEU 82 14.306 7.144 -2.038 627 1HB LEU 82 2HB LEU 82 16.731 5.961 -1.659 628 2HB LEU 82 1HB LEU 82 16.858 6.465 -3.330 629 HG LEU 82 HG LEU 82 17.806 8.182 -1.963 630 1HD1 LEU 82 1HD1 LEU 82 15.147 8.794 -3.181 631 2HD1 LEU 82 3HD1 LEU 82 16.060 10.060 -2.360 632 3HD1 LEU 82 2HD1 LEU 82 16.764 9.222 -3.742 633 1HD2 LEU 82 1HD2 LEU 82 15.354 7.769 -0.330 634 2HD2 LEU 82 3HD2 LEU 82 17.031 7.972 0.179 635 3HD2 LEU 82 2HD2 LEU 82 16.096 9.369 -0.357 636 H ASN 83 H ASN 83 12.707 5.689 -3.710 637 HA ASN 83 HA ASN 83 13.088 7.055 -6.194 638 1HB ASN 83 2HB ASN 83 14.599 5.068 -6.448 639 2HB ASN 83 1HB ASN 83 13.183 4.034 -6.286 640 1HD2 ASN 83 1HD2 ASN 83 11.958 3.643 -8.021 641 2HD2 ASN 83 2HD2 ASN 83 12.184 4.366 -9.573 642 H ARG 84 H ARG 84 11.032 7.804 -5.309 643 HA ARG 84 HA ARG 84 8.809 6.053 -5.044 644 1HB ARG 84 2HB ARG 84 8.342 8.910 -5.696 645 2HB ARG 84 1HB ARG 84 7.617 7.908 -4.448 646 1HG ARG 84 2HG ARG 84 8.931 8.865 -2.956 647 2HG ARG 84 1HG ARG 84 10.333 8.176 -3.775 648 1HD ARG 84 2HD ARG 84 10.310 10.147 -5.307 649 2HD ARG 84 1HD ARG 84 9.044 10.848 -4.300 650 HE ARG 84 HE ARG 84 11.845 10.445 -3.543 651 1HH1 ARG 84 1HH1 ARG 84 8.669 11.672 -2.807 652 2HH1 ARG 84 2HH1 ARG 84 9.212 12.654 -1.488 653 1HH2 ARG 84 1HH2 ARG 84 12.570 11.736 -1.805 654 2HH2 ARG 84 2HH2 ARG 84 11.429 12.690 -0.919 655 H SER 85 H SER 85 10.489 6.994 -7.727 656 HA SER 85 HA SER 85 8.322 7.398 -9.557 657 1HB SER 85 2HB SER 85 11.121 7.722 -9.617 658 2HB SER 85 1HB SER 85 10.743 6.532 -10.863 659 HG SER 85 HG SER 85 8.932 8.372 -11.133 660 H GLU 86 H GLU 86 8.648 4.840 -7.872 661 HA GLU 86 HA GLU 86 8.936 2.766 -9.849 662 1HB GLU 86 2HB GLU 86 8.301 2.849 -6.922 663 2HB GLU 86 1HB GLU 86 8.009 1.376 -7.835 664 1HG GLU 86 2HG GLU 86 10.651 2.536 -8.278 665 2HG GLU 86 1HG GLU 86 10.349 2.044 -6.611 666 H ARG 87 H ARG 87 6.985 0.966 -9.349 667 HA ARG 87 HA ARG 87 4.444 2.356 -9.770 668 1HB ARG 87 2HB ARG 87 3.938 0.643 -11.577 669 2HB ARG 87 1HB ARG 87 5.039 1.946 -11.998 670 1HG ARG 87 2HG ARG 87 6.522 0.445 -12.652 671 2HG ARG 87 1HG ARG 87 6.621 -0.148 -10.994 672 1HD ARG 87 2HD ARG 87 5.077 -1.844 -11.374 673 2HD ARG 87 1HD ARG 87 4.413 -1.050 -12.803 674 HE ARG 87 HE ARG 87 7.007 -1.612 -13.461 675 1HH1 ARG 87 1HH1 ARG 87 4.275 -3.472 -12.362 676 2HH1 ARG 87 2HH1 ARG 87 4.763 -4.916 -13.185 677 1HH2 ARG 87 1HH2 ARG 87 7.658 -3.507 -14.548 678 2HH2 ARG 87 2HH2 ARG 87 6.688 -4.937 -14.428 679 H TRP 88 H TRP 88 3.181 1.679 -8.223 680 HA TRP 88 HA TRP 88 2.661 -1.146 -7.862 681 1HB TRP 88 2HB TRP 88 3.288 0.401 -5.365 682 2HB TRP 88 1HB TRP 88 3.236 -1.341 -5.606 683 HD1 TRP 88 HD1 TRP 88 5.595 1.540 -5.512 684 HE1 TRP 88 HE1 TRP 88 7.976 0.746 -6.085 685 HE3 TRP 88 HE3 TRP 88 4.498 -3.150 -7.230 686 HZ2 TRP 88 HZ2 TRP 88 9.223 -1.563 -7.125 687 HZ3 TRP 88 HZ3 TRP 88 6.342 -4.588 -7.994 688 HH2 TRP 88 HH2 TRP 88 8.656 -3.809 -7.942 689 H ASP 89 H ASP 89 1.091 -1.131 -5.677 690 HA ASP 89 HA ASP 89 -1.177 0.418 -6.563 691 1HB ASP 89 2HB ASP 89 -1.243 -1.202 -4.057 692 2HB ASP 89 1HB ASP 89 -2.464 -1.023 -5.312 693 H ALA 90 H ALA 90 -2.543 1.010 -4.301 694 HA ALA 90 HA ALA 90 -0.798 2.637 -2.611 695 1HB ALA 90 1HB ALA 90 -1.421 4.100 -4.463 696 2HB ALA 90 2HB ALA 90 -2.152 4.640 -2.951 697 3HB ALA 90 3HB ALA 90 -3.128 3.785 -4.146 698 H TYR 91 H TYR 91 -1.533 2.846 -0.534 699 HA TYR 91 HA TYR 91 -4.084 1.529 0.079 700 1HB TYR 91 2HB TYR 91 -1.551 1.963 1.635 701 2HB TYR 91 1HB TYR 91 -3.060 1.629 2.467 702 HD1 TYR 91 HD1 TYR 91 -4.370 -0.509 1.534 703 HD2 TYR 91 HD2 TYR 91 -0.193 0.191 1.093 704 HE1 TYR 91 HE1 TYR 91 -4.005 -2.915 1.197 705 HE2 TYR 91 HE2 TYR 91 0.179 -2.214 0.755 706 HH TYR 91 HH TYR 91 -1.811 -4.274 -0.160 707 H CYS 92 H CYS 92 -5.758 2.795 0.587 708 HA CYS 92 HA CYS 92 -5.234 5.585 1.277 709 1HB CYS 92 2HB CYS 92 -7.111 4.382 -0.381 710 2HB CYS 92 1HB CYS 92 -8.039 4.858 1.037 711 H TYR 93 H TYR 93 -6.323 6.623 3.012 712 HA TYR 93 HA TYR 93 -7.461 4.914 5.084 713 1HB TYR 93 2HB TYR 93 -5.018 5.074 5.541 714 2HB TYR 93 1HB TYR 93 -5.179 6.824 5.632 715 HD1 TYR 93 HD1 TYR 93 -6.676 7.806 7.423 716 HD2 TYR 93 HD2 TYR 93 -5.466 3.725 7.423 717 HE1 TYR 93 HE1 TYR 93 -7.244 7.647 9.809 718 HE2 TYR 93 HE2 TYR 93 -6.030 3.555 9.812 719 HH TYR 93 HH TYR 93 -7.726 4.894 11.404 720 H ASN 94 H ASN 94 -9.210 5.828 5.920 721 HA ASN 94 HA ASN 94 -9.369 8.709 6.236 722 1HB ASN 94 2HB ASN 94 -10.968 7.165 4.259 723 2HB ASN 94 1HB ASN 94 -11.812 8.405 5.182 724 1HD2 ASN 94 2HD2 ASN 94 -11.710 8.730 2.554 725 2HD2 ASN 94 1HD2 ASN 94 -10.602 9.983 2.114 726 HA PRO 95 HA PRO 95 -11.180 7.496 10.081 727 1HB PRO 95 2HB PRO 95 -12.762 9.993 9.683 728 2HB PRO 95 1HB PRO 95 -11.815 9.469 11.083 729 1HG PRO 95 2HG PRO 95 -10.888 11.346 9.431 730 2HG PRO 95 1HG PRO 95 -9.807 10.135 10.143 731 1HD PRO 95 1HD PRO 95 -10.867 10.333 7.369 732 2HD PRO 95 2HD PRO 95 -9.304 9.718 7.941 733 H HIS 96 H HIS 96 -13.132 8.585 7.366 734 HA HIS 96 HA HIS 96 -15.317 6.834 8.284 735 1HB HIS 96 2HB HIS 96 -15.914 9.246 8.194 736 2HB HIS 96 1HB HIS 96 -15.529 9.251 6.475 737 HD1 HIS 96 HD1 HIS 96 -18.150 8.242 8.904 738 HD2 HIS 96 HD2 HIS 96 -17.396 7.899 4.833 739 HE1 HIS 96 HE1 HIS 96 -20.324 7.507 7.878 740 HE2 HIS 96 HE2 HIS 96 -19.818 7.214 5.426 741 H ALA 97 H ALA 97 -13.323 7.859 5.591 742 HA ALA 97 HA ALA 97 -13.291 7.137 3.378 743 1HB ALA 97 2HB ALA 97 -11.584 5.786 3.978 744 2HB ALA 97 3HB ALA 97 -12.747 4.515 3.594 745 3HB ALA 97 1HB ALA 97 -12.508 5.012 5.268 746 H LYS 98 H LYS 98 -15.667 7.560 3.127 747 HA LYS 98 HA LYS 98 -17.579 5.509 3.324 748 1HB LYS 98 2HB LYS 98 -18.078 7.946 3.081 749 2HB LYS 98 1HB LYS 98 -17.597 7.833 1.392 750 1HG LYS 98 2HG LYS 98 -19.569 7.007 0.788 751 2HG LYS 98 1HG LYS 98 -19.569 5.830 2.102 752 1HD LYS 98 2HD LYS 98 -20.197 7.757 3.633 753 2HD LYS 98 1HD LYS 98 -20.500 8.690 2.165 754 1HE LYS 98 2HE LYS 98 -22.026 6.781 1.457 755 2HE LYS 98 1HE LYS 98 -21.900 6.207 3.119 756 1HZ LYS 98 2HZ LYS 98 -22.506 8.863 3.352 757 2HZ LYS 98 1HZ LYS 98 -23.463 8.346 2.057 758 3HZ LYS 98 3HZ LYS 98 -23.579 7.571 3.557 No H/Q in entry = 758 Start of MODEL 8 1 H1 GLY 1 3H GLY 1 -11.898 2.419 7.165 2 H2 GLY 1 2H GLY 1 -11.742 1.502 8.577 3 H3 GLY 1 1H GLY 1 -12.492 3.016 8.634 4 1HA GLY 1 2HA GLY 1 -9.929 2.585 9.273 5 2HA GLY 1 1HA GLY 1 -10.578 4.134 8.756 6 H VAL 2 H VAL 2 -8.231 1.853 8.184 7 HA VAL 2 HA VAL 2 -7.387 3.211 5.776 8 HB VAL 2 HB VAL 2 -5.574 2.781 7.155 9 1HG1 VAL 2 1HG1 VAL 2 -7.153 0.627 8.092 10 2HG1 VAL 2 3HG1 VAL 2 -5.573 -0.015 7.640 11 3HG1 VAL 2 2HG1 VAL 2 -5.689 1.309 8.801 12 1HG2 VAL 2 1HG2 VAL 2 -5.730 0.643 5.058 13 2HG2 VAL 2 3HG2 VAL 2 -4.859 2.176 5.013 14 3HG2 VAL 2 2HG2 VAL 2 -4.294 0.871 6.057 15 H TYR 3 H TYR 3 -7.076 2.289 3.758 16 HA TYR 3 HA TYR 3 -7.891 -0.457 3.297 17 1HB TYR 3 2HB TYR 3 -9.535 0.211 1.527 18 2HB TYR 3 1HB TYR 3 -10.045 0.586 3.168 19 HD1 TYR 3 HD1 TYR 3 -9.323 3.046 3.961 20 HD2 TYR 3 HD2 TYR 3 -9.872 1.825 -0.077 21 HE1 TYR 3 HE1 TYR 3 -9.706 5.387 3.311 22 HE2 TYR 3 HE2 TYR 3 -10.257 4.162 -0.738 23 HH TYR 3 HH TYR 3 -10.519 6.726 1.642 24 H HIS 4 H HIS 4 -7.895 -0.821 0.767 25 HA HIS 4 HA HIS 4 -5.425 0.432 -0.235 26 1HB HIS 4 2HB HIS 4 -4.901 -1.825 0.025 27 2HB HIS 4 1HB HIS 4 -6.507 -2.356 -0.466 28 HD1 HIS 4 HD1 HIS 4 -6.866 -2.870 -2.908 29 HD2 HIS 4 HD2 HIS 4 -3.204 -1.054 -2.161 30 HE1 HIS 4 HE1 HIS 4 -5.588 -3.018 -5.069 31 HE2 HIS 4 HE2 HIS 4 -3.354 -1.963 -4.577 32 H ARG 5 H ARG 5 -5.232 0.615 -2.585 33 HA ARG 5 HA ARG 5 -7.622 0.538 -4.187 34 1HB ARG 5 2HB ARG 5 -7.633 2.714 -2.797 35 2HB ARG 5 1HB ARG 5 -6.330 3.227 -3.856 36 1HG ARG 5 2HG ARG 5 -8.298 4.125 -4.775 37 2HG ARG 5 1HG ARG 5 -7.886 2.742 -5.792 38 1HD ARG 5 2HD ARG 5 -10.112 2.342 -5.484 39 2HD ARG 5 1HD ARG 5 -9.459 1.472 -4.098 40 HE ARG 5 HE ARG 5 -9.910 3.859 -3.023 41 1HH1 ARG 5 1HH1 ARG 5 -11.901 1.906 -5.107 42 2HH1 ARG 5 2HH1 ARG 5 -13.392 2.503 -4.460 43 1HH2 ARG 5 2HH2 ARG 5 -11.869 4.652 -2.161 44 2HH2 ARG 5 1HH2 ARG 5 -13.373 4.065 -2.785 45 H GLU 6 H GLU 6 -7.197 1.128 -6.442 46 HA GLU 6 HA GLU 6 -4.345 0.830 -7.127 47 1HB GLU 6 2HB GLU 6 -4.956 -0.418 -9.064 48 2HB GLU 6 1HB GLU 6 -5.832 -1.114 -7.710 49 1HG GLU 6 2HG GLU 6 -6.999 0.855 -9.660 50 2HG GLU 6 1HG GLU 6 -7.177 -0.895 -9.774 51 H ALA 7 H ALA 7 -4.426 1.353 -9.793 52 HA ALA 7 HA ALA 7 -4.979 4.225 -9.798 53 1HB ALA 7 1HB ALA 7 -2.954 4.266 -10.718 54 2HB ALA 7 3HB ALA 7 -2.964 2.524 -10.987 55 3HB ALA 7 2HB ALA 7 -3.692 3.604 -12.175 56 H ARG 8 H ARG 8 -6.109 5.250 -11.483 57 HA ARG 8 HA ARG 8 -8.429 3.962 -12.366 58 1HB ARG 8 2HB ARG 8 -7.065 6.497 -13.254 59 2HB ARG 8 1HB ARG 8 -8.585 5.961 -13.955 60 1HG ARG 8 2HG ARG 8 -8.554 6.028 -11.028 61 2HG ARG 8 1HG ARG 8 -8.357 7.597 -11.808 62 1HD ARG 8 2HD ARG 8 -10.395 6.330 -13.228 63 2HD ARG 8 1HD ARG 8 -10.719 5.961 -11.534 64 HE ARG 8 HE ARG 8 -10.828 8.320 -11.102 65 1HH1 ARG 8 1HH1 ARG 8 -10.730 7.418 -14.465 66 2HH1 ARG 8 2HH1 ARG 8 -11.399 8.916 -15.019 67 1HH2 ARG 8 2HH2 ARG 8 -11.709 10.297 -11.822 68 2HH2 ARG 8 1HH2 ARG 8 -11.954 10.553 -13.518 69 H SER 9 H SER 9 -5.251 3.971 -13.641 70 HA SER 9 HA SER 9 -6.134 3.063 -16.275 71 1HB SER 9 2HB SER 9 -4.107 4.714 -15.638 72 2HB SER 9 1HB SER 9 -3.241 3.178 -15.612 73 HG SER 9 HG SER 9 -4.877 3.409 -17.775 74 H GLY 10 H GLY 10 -4.914 1.860 -13.286 75 1HA GLY 10 2HA GLY 10 -4.182 -0.715 -14.483 76 2HA GLY 10 1HA GLY 10 -5.511 -0.687 -13.334 77 H LYS 11 H LYS 11 -4.038 -2.247 -12.247 78 HA LYS 11 HA LYS 11 -2.799 -1.031 -10.024 79 1HB LYS 11 2HB LYS 11 -3.834 -3.300 -10.025 80 2HB LYS 11 1HB LYS 11 -2.481 -3.879 -10.988 81 1HG LYS 11 2HG LYS 11 -0.942 -3.356 -9.188 82 2HG LYS 11 1HG LYS 11 -2.267 -2.695 -8.228 83 1HD LYS 11 2HD LYS 11 -2.337 -4.762 -7.341 84 2HD LYS 11 1HD LYS 11 -3.239 -5.154 -8.806 85 1HE LYS 11 2HE LYS 11 -0.306 -5.576 -8.280 86 2HE LYS 11 1HE LYS 11 -1.542 -6.806 -8.541 87 1HZ LYS 11 1HZ LYS 11 -1.828 -5.820 -10.810 88 2HZ LYS 11 3HZ LYS 11 -0.431 -4.908 -10.526 89 3HZ LYS 11 2HZ LYS 11 -0.349 -6.597 -10.547 90 H TYR 12 H TYR 12 -0.538 -1.417 -9.333 91 HA TYR 12 HA TYR 12 1.681 -0.997 -9.621 92 1HB TYR 12 2HB TYR 12 1.090 -2.946 -11.834 93 2HB TYR 12 1HB TYR 12 2.710 -2.293 -11.617 94 HD1 TYR 12 HD1 TYR 12 1.065 -2.528 -8.500 95 HD2 TYR 12 HD2 TYR 12 3.124 -4.866 -11.398 96 HE1 TYR 12 HE1 TYR 12 1.522 -4.234 -6.790 97 HE2 TYR 12 HE2 TYR 12 3.586 -6.579 -9.696 98 HH TYR 12 HH TYR 12 2.043 -6.628 -6.671 99 H LYS 13 H LYS 13 -0.048 0.973 -10.641 100 HA LYS 13 HA LYS 13 1.637 2.079 -12.772 101 1HB LYS 13 2HB LYS 13 -1.262 1.557 -12.810 102 2HB LYS 13 1HB LYS 13 -0.793 3.161 -13.349 103 1HG LYS 13 2HG LYS 13 0.974 1.635 -14.716 104 2HG LYS 13 1HG LYS 13 -0.414 0.548 -14.628 105 1HD LYS 13 2HD LYS 13 -1.410 3.110 -15.271 106 2HD LYS 13 1HD LYS 13 -0.016 2.821 -16.314 107 1HE LYS 13 2HE LYS 13 -1.791 0.515 -16.052 108 2HE LYS 13 1HE LYS 13 -2.563 1.925 -16.775 109 1HZ LYS 13 1HZ LYS 13 0.080 1.116 -17.751 110 2HZ LYS 13 3HZ LYS 13 -1.269 0.219 -18.237 111 3HZ LYS 13 2HZ LYS 13 -1.186 1.874 -18.577 112 H LEU 14 H LEU 14 0.723 2.384 -9.700 113 HA LEU 14 HA LEU 14 0.458 5.314 -9.776 114 1HB LEU 14 2HB LEU 14 -0.432 3.206 -7.867 115 2HB LEU 14 1HB LEU 14 -0.079 4.802 -7.243 116 HG LEU 14 HG LEU 14 -1.949 4.499 -9.561 117 1HD1 LEU 14 1HD1 LEU 14 -2.483 2.974 -7.490 118 2HD1 LEU 14 3HD1 LEU 14 -3.020 4.498 -6.782 119 3HD1 LEU 14 2HD1 LEU 14 -3.753 3.914 -8.276 120 1HD2 LEU 14 2HD2 LEU 14 -1.033 6.714 -8.684 121 2HD2 LEU 14 1HD2 LEU 14 -2.782 6.576 -8.873 122 3HD2 LEU 14 3HD2 LEU 14 -2.054 6.438 -7.273 123 H THR 15 H THR 15 1.886 6.617 -8.770 124 HA THR 15 HA THR 15 4.267 5.333 -7.605 125 HB THR 15 HB THR 15 5.607 7.069 -8.389 126 HG1 THR 15 HG1 THR 15 4.682 8.940 -7.840 127 1HG2 THR 15 2HG2 THR 15 3.946 5.799 -10.213 128 2HG2 THR 15 1HG2 THR 15 3.877 7.498 -10.681 129 3HG2 THR 15 3HG2 THR 15 5.432 6.674 -10.583 130 H TYR 16 H TYR 16 5.150 6.212 -5.683 131 HA TYR 16 HA TYR 16 3.585 6.756 -3.597 132 1HB TYR 16 2HB TYR 16 5.959 6.561 -3.283 133 2HB TYR 16 1HB TYR 16 6.252 8.047 -4.180 134 HD1 TYR 16 HD1 TYR 16 4.617 6.758 -1.092 135 HD2 TYR 16 HD2 TYR 16 6.398 10.086 -3.059 136 HE1 TYR 16 HE1 TYR 16 4.526 8.039 1.005 137 HE2 TYR 16 HE2 TYR 16 6.310 11.375 -0.967 138 HH TYR 16 HH TYR 16 4.940 11.351 1.156 139 H ALA 17 H ALA 17 4.630 9.181 -5.944 140 HA ALA 17 HA ALA 17 3.408 11.387 -4.630 141 1HB ALA 17 3HB ALA 17 4.190 11.114 -7.529 142 2HB ALA 17 2HB ALA 17 3.861 12.617 -6.669 143 3HB ALA 17 1HB ALA 17 5.258 11.636 -6.225 144 H GLU 18 H GLU 18 2.391 9.275 -7.308 145 HA GLU 18 HA GLU 18 -0.060 10.639 -7.775 146 1HB GLU 18 2HB GLU 18 0.832 7.837 -8.481 147 2HB GLU 18 1HB GLU 18 -0.636 8.595 -9.075 148 1HG GLU 18 2HG GLU 18 0.682 10.314 -10.185 149 2HG GLU 18 1HG GLU 18 2.163 9.581 -9.568 150 H ALA 19 H ALA 19 0.829 7.695 -6.028 151 HA ALA 19 HA ALA 19 -1.627 6.784 -5.211 152 1HB ALA 19 2HB ALA 19 -0.173 5.305 -4.388 153 2HB ALA 19 3HB ALA 19 -0.014 6.380 -2.999 154 3HB ALA 19 1HB ALA 19 1.126 6.498 -4.341 155 H LYS 20 H LYS 20 0.378 9.293 -3.711 156 HA LYS 20 HA LYS 20 -1.309 9.766 -1.492 157 1HB LYS 20 2HB LYS 20 1.132 10.484 -1.850 158 2HB LYS 20 1HB LYS 20 0.474 11.837 -2.757 159 1HG LYS 20 2HG LYS 20 -0.815 12.505 -0.760 160 2HG LYS 20 1HG LYS 20 -0.048 11.194 0.138 161 1HD LYS 20 2HD LYS 20 2.151 12.358 -0.789 162 2HD LYS 20 1HD LYS 20 1.087 13.766 -0.817 163 1HE LYS 20 2HE LYS 20 1.120 13.965 1.407 164 2HE LYS 20 1HE LYS 20 0.864 12.238 1.647 165 1HZ LYS 20 3HZ LYS 20 3.243 11.900 1.205 166 2HZ LYS 20 2HZ LYS 20 3.457 13.575 1.098 167 3HZ LYS 20 1HZ LYS 20 2.973 12.876 2.560 168 H ALA 21 H ALA 21 -0.911 11.593 -4.525 169 HA ALA 21 HA ALA 21 -2.833 13.520 -4.132 170 1HB ALA 21 1HB ALA 21 -3.095 13.501 -6.648 171 2HB ALA 21 2HB ALA 21 -1.975 12.138 -6.660 172 3HB ALA 21 3HB ALA 21 -1.451 13.703 -6.040 173 H VAL 22 H VAL 22 -3.264 10.182 -5.147 174 HA VAL 22 HA VAL 22 -6.050 10.453 -5.733 175 HB VAL 22 HB VAL 22 -4.204 8.109 -5.437 176 1HG1 VAL 22 1HG1 VAL 22 -7.198 7.983 -5.784 177 2HG1 VAL 22 3HG1 VAL 22 -6.095 6.625 -6.001 178 3HG1 VAL 22 2HG1 VAL 22 -6.268 7.375 -4.415 179 1HG2 VAL 22 3HG2 VAL 22 -4.892 9.745 -7.552 180 2HG2 VAL 22 2HG2 VAL 22 -4.120 8.164 -7.665 181 3HG2 VAL 22 1HG2 VAL 22 -5.872 8.302 -7.806 182 H CYS 23 H CYS 23 -4.290 8.839 -3.094 183 HA CYS 23 HA CYS 23 -6.579 8.207 -1.586 184 1HB CYS 23 2HB CYS 23 -3.662 8.451 -0.881 185 2HB CYS 23 1HB CYS 23 -4.874 8.021 0.317 186 H GLU 24 H GLU 24 -4.611 11.072 -1.787 187 HA GLU 24 HA GLU 24 -5.930 12.279 0.522 188 1HB GLU 24 2HB GLU 24 -3.448 12.544 0.069 189 2HB GLU 24 1HB GLU 24 -3.887 13.548 -1.307 190 1HG GLU 24 2HG GLU 24 -4.751 15.236 0.043 191 2HG GLU 24 1HG GLU 24 -4.885 14.174 1.443 192 H PHE 25 H PHE 25 -6.338 11.962 -2.777 193 HA PHE 25 HA PHE 25 -7.294 14.401 -3.662 194 1HB PHE 25 2HB PHE 25 -7.024 11.943 -4.749 195 2HB PHE 25 1HB PHE 25 -8.770 12.001 -4.556 196 HD1 PHE 25 HD1 PHE 25 -5.899 13.851 -5.985 197 HD2 PHE 25 HD2 PHE 25 -10.090 13.137 -6.109 198 HE1 PHE 25 HE1 PHE 25 -6.053 15.171 -8.052 199 HE2 PHE 25 HE2 PHE 25 -10.257 14.459 -8.178 200 HZ PHE 25 HZ PHE 25 -8.238 15.479 -9.153 201 H GLU 26 H GLU 26 -8.975 11.840 -1.911 202 HA GLU 26 HA GLU 26 -11.327 13.588 -1.675 203 1HB GLU 26 2HB GLU 26 -11.216 10.639 -1.063 204 2HB GLU 26 1HB GLU 26 -12.644 11.639 -1.296 205 1HG GLU 26 2HG GLU 26 -12.030 11.954 -3.641 206 2HG GLU 26 1HG GLU 26 -10.621 10.923 -3.403 207 H GLY 27 H GLY 27 -9.597 14.561 -0.080 208 1HA GLY 27 1HA GLY 27 -10.631 14.458 2.468 209 2HA GLY 27 2HA GLY 27 -9.013 15.030 2.090 210 H GLY 28 H GLY 28 -8.473 12.216 0.986 211 1HA GLY 28 2HA GLY 28 -8.037 10.069 1.882 212 2HA GLY 28 1HA GLY 28 -8.401 10.692 3.487 213 H HIS 29 H HIS 29 -6.216 9.195 3.378 214 HA HIS 29 HA HIS 29 -3.875 10.787 2.797 215 1HB HIS 29 2HB HIS 29 -3.538 9.962 5.512 216 2HB HIS 29 1HB HIS 29 -3.481 11.590 4.844 217 HD1 HIS 29 HD1 HIS 29 -5.799 12.906 4.805 218 HD2 HIS 29 HD2 HIS 29 -5.745 9.402 7.039 219 HE1 HIS 29 HE1 HIS 29 -7.830 13.019 6.281 220 HE2 HIS 29 HE2 HIS 29 -7.826 10.848 7.558 221 H LEU 30 H LEU 30 -2.127 9.542 2.398 222 HA LEU 30 HA LEU 30 -2.307 6.879 1.845 223 1HB LEU 30 2HB LEU 30 -0.303 8.837 1.858 224 2HB LEU 30 1HB LEU 30 0.343 7.502 2.791 225 HG LEU 30 HG LEU 30 -0.829 7.156 0.044 226 1HD1 LEU 30 2HD1 LEU 30 1.479 8.574 0.646 227 2HD1 LEU 30 1HD1 LEU 30 2.052 6.965 0.198 228 3HD1 LEU 30 3HD1 LEU 30 1.039 7.885 -0.916 229 1HD2 LEU 30 3HD2 LEU 30 0.117 5.379 2.078 230 2HD2 LEU 30 2HD2 LEU 30 -0.570 4.998 0.498 231 3HD2 LEU 30 1HD2 LEU 30 1.165 5.266 0.662 232 H ALA 31 H ALA 31 -2.072 4.988 2.905 233 HA ALA 31 HA ALA 31 -2.251 5.016 5.772 234 1HB ALA 31 1HB ALA 31 -2.891 3.192 3.679 235 2HB ALA 31 3HB ALA 31 -1.827 2.377 4.826 236 3HB ALA 31 2HB ALA 31 -3.331 3.111 5.385 237 H THR 32 H THR 32 -0.814 3.489 7.065 238 HA THR 32 HA THR 32 1.969 3.740 6.119 239 HB THR 32 HB THR 32 2.700 3.978 8.413 240 HG1 THR 32 HG1 THR 32 1.148 2.771 9.506 241 1HG2 THR 32 3HG2 THR 32 0.524 5.826 7.496 242 2HG2 THR 32 2HG2 THR 32 1.379 6.108 9.013 243 3HG2 THR 32 1HG2 THR 32 2.270 6.074 7.491 244 H TYR 33 H TYR 33 3.347 2.262 7.800 245 HA TYR 33 HA TYR 33 2.745 -0.410 7.025 246 1HB TYR 33 2HB TYR 33 5.051 0.211 7.295 247 2HB TYR 33 1HB TYR 33 4.775 0.728 8.952 248 HD1 TYR 33 HD1 TYR 33 4.341 -2.352 6.871 249 HD2 TYR 33 HD2 TYR 33 5.483 -0.692 10.619 250 HE1 TYR 33 HE1 TYR 33 4.945 -4.592 7.670 251 HE2 TYR 33 HE2 TYR 33 6.096 -2.932 11.429 252 HH TYR 33 HH TYR 33 5.176 -5.514 10.567 253 H LYS 34 H LYS 34 3.238 0.870 10.287 254 HA LYS 34 HA LYS 34 2.133 -1.147 11.747 255 1HB LYS 34 2HB LYS 34 1.855 1.805 12.336 256 2HB LYS 34 1HB LYS 34 1.676 0.506 13.504 257 1HG LYS 34 2HG LYS 34 4.088 -0.121 12.857 258 2HG LYS 34 1HG LYS 34 4.157 1.502 12.165 259 1HD LYS 34 2HD LYS 34 3.138 2.125 14.546 260 2HD LYS 34 1HD LYS 34 3.988 0.646 15.000 261 1HE LYS 34 2HE LYS 34 5.878 1.804 15.103 262 2HE LYS 34 1HE LYS 34 5.750 2.113 13.371 263 1HZ LYS 34 3HZ LYS 34 4.154 3.989 14.164 264 2HZ LYS 34 2HZ LYS 34 4.995 3.836 15.624 265 3HZ LYS 34 1HZ LYS 34 5.829 4.226 14.205 266 H GLN 35 H GLN 35 0.425 1.545 10.192 267 HA GLN 35 HA GLN 35 -2.133 0.924 11.200 268 1HB GLN 35 2HB GLN 35 -1.287 2.390 8.699 269 2HB GLN 35 1HB GLN 35 -2.939 2.316 9.286 270 1HG GLN 35 2HG GLN 35 -2.301 3.461 11.321 271 2HG GLN 35 1HG GLN 35 -0.616 3.473 10.805 272 1HE2 GLN 35 1HE2 GLN 35 -1.883 5.794 11.483 273 2HE2 GLN 35 2HE2 GLN 35 -2.111 6.769 10.075 274 H LEU 36 H LEU 36 -0.587 0.168 8.085 275 HA LEU 36 HA LEU 36 -2.705 -1.345 7.035 276 1HB LEU 36 2HB LEU 36 -0.179 -0.575 6.182 277 2HB LEU 36 1HB LEU 36 -0.070 -2.321 6.263 278 HG LEU 36 HG LEU 36 -0.756 -1.277 4.031 279 1HD1 LEU 36 2HD1 LEU 36 -1.670 -3.638 5.398 280 2HD1 LEU 36 1HD1 LEU 36 -2.874 -3.080 4.236 281 3HD1 LEU 36 3HD1 LEU 36 -1.227 -3.420 3.705 282 1HD2 LEU 36 2HD2 LEU 36 -3.321 -0.929 5.573 283 2HD2 LEU 36 1HD2 LEU 36 -2.352 0.339 4.823 284 3HD2 LEU 36 3HD2 LEU 36 -3.186 -0.846 3.818 285 H GLU 37 H GLU 37 -0.386 -2.009 9.462 286 HA GLU 37 HA GLU 37 -0.491 -4.864 9.339 287 1HB GLU 37 2HB GLU 37 1.390 -3.600 10.361 288 2HB GLU 37 1HB GLU 37 0.308 -3.079 11.642 289 1HG GLU 37 2HG GLU 37 -0.067 -5.679 11.889 290 2HG GLU 37 1HG GLU 37 1.534 -5.732 11.154 291 H ALA 38 H ALA 38 -1.703 -2.563 11.751 292 HA ALA 38 HA ALA 38 -3.330 -4.367 13.119 293 1HB ALA 38 2HB ALA 38 -3.115 -2.527 14.404 294 2HB ALA 38 1HB ALA 38 -3.037 -1.440 13.018 295 3HB ALA 38 3HB ALA 38 -4.598 -2.032 13.590 296 H ALA 39 H ALA 39 -3.690 -3.057 10.042 297 HA ALA 39 HA ALA 39 -6.603 -3.346 10.013 298 1HB ALA 39 1HB ALA 39 -4.754 -2.453 7.801 299 2HB ALA 39 3HB ALA 39 -6.514 -2.347 7.812 300 3HB ALA 39 2HB ALA 39 -5.565 -1.368 8.931 301 H ARG 40 H ARG 40 -3.669 -4.831 8.963 302 HA ARG 40 HA ARG 40 -4.814 -6.648 7.090 303 1HB ARG 40 2HB ARG 40 -2.498 -6.143 6.870 304 2HB ARG 40 1HB ARG 40 -2.189 -6.514 8.560 305 1HG ARG 40 2HG ARG 40 -3.106 -8.897 7.744 306 2HG ARG 40 1HG ARG 40 -2.414 -8.311 6.231 307 1HD ARG 40 2HD ARG 40 -0.268 -8.102 7.168 308 2HD ARG 40 1HD ARG 40 -0.885 -8.231 8.814 309 HE ARG 40 HE ARG 40 -0.587 -10.441 6.904 310 1HH1 ARG 40 1HH1 ARG 40 -1.196 -9.281 10.132 311 2HH1 ARG 40 2HH1 ARG 40 -1.039 -10.844 10.862 312 1HH2 ARG 40 1HH2 ARG 40 -0.379 -12.503 7.856 313 2HH2 ARG 40 2HH2 ARG 40 -0.574 -12.675 9.569 314 H LYS 41 H LYS 41 -4.116 -6.651 10.520 315 HA LYS 41 HA LYS 41 -4.534 -9.420 10.933 316 1HB LYS 41 2HB LYS 41 -4.926 -7.291 13.022 317 2HB LYS 41 1HB LYS 41 -4.410 -8.956 13.252 318 1HG LYS 41 2HG LYS 41 -2.371 -8.271 11.818 319 2HG LYS 41 1HG LYS 41 -2.853 -6.623 12.225 320 1HD LYS 41 2HD LYS 41 -1.528 -6.960 14.019 321 2HD LYS 41 1HD LYS 41 -2.958 -7.767 14.664 322 1HE LYS 41 2HE LYS 41 -2.041 -9.893 13.618 323 2HE LYS 41 1HE LYS 41 -0.534 -9.006 13.390 324 1HZ LYS 41 2HZ LYS 41 -1.461 -8.697 16.044 325 2HZ LYS 41 1HZ LYS 41 -1.364 -10.342 15.663 326 3HZ LYS 41 3HZ LYS 41 -0.001 -9.353 15.497 327 H ILE 42 H ILE 42 -6.679 -6.852 10.331 328 HA ILE 42 HA ILE 42 -8.927 -8.109 11.690 329 HB ILE 42 HB ILE 42 -10.196 -6.200 11.135 330 1HG1 ILE 42 2HG1 ILE 42 -8.248 -4.797 9.464 331 2HG1 ILE 42 1HG1 ILE 42 -8.842 -6.281 8.731 332 1HG2 ILE 42 2HG2 ILE 42 -7.343 -5.493 11.758 333 2HG2 ILE 42 1HG2 ILE 42 -8.627 -4.283 11.727 334 3HG2 ILE 42 3HG2 ILE 42 -8.710 -5.629 12.865 335 1HD1 ILE 42 1HD1 ILE 42 -11.173 -5.417 9.237 336 2HD1 ILE 42 3HD1 ILE 42 -10.403 -3.865 9.569 337 3HD1 ILE 42 2HD1 ILE 42 -10.268 -4.592 7.968 338 H GLY 43 H GLY 43 -7.421 -8.089 8.619 339 1HA GLY 43 1HA GLY 43 -9.834 -9.165 7.319 340 2HA GLY 43 2HA GLY 43 -8.350 -10.108 7.318 341 H PHE 44 H PHE 44 -7.069 -7.214 7.178 342 HA PHE 44 HA PHE 44 -7.686 -6.457 4.463 343 1HB PHE 44 2HB PHE 44 -6.989 -4.899 6.396 344 2HB PHE 44 1HB PHE 44 -5.348 -5.434 6.055 345 HD1 PHE 44 HD1 PHE 44 -6.915 -5.544 3.004 346 HD2 PHE 44 HD2 PHE 44 -5.498 -2.721 5.857 347 HE1 PHE 44 HE1 PHE 44 -6.734 -3.849 1.230 348 HE2 PHE 44 HE2 PHE 44 -5.317 -1.021 4.088 349 HZ PHE 44 HZ PHE 44 -5.936 -1.584 1.773 350 H HIS 45 H HIS 45 -6.901 -7.489 2.766 351 HA HIS 45 HA HIS 45 -4.115 -8.413 2.821 352 1HB HIS 45 2HB HIS 45 -5.534 -10.366 3.248 353 2HB HIS 45 1HB HIS 45 -6.475 -10.013 1.806 354 HD1 HIS 45 HD1 HIS 45 -4.853 -12.681 2.354 355 HD2 HIS 45 HD2 HIS 45 -3.636 -9.520 -0.054 356 HE1 HIS 45 HE1 HIS 45 -3.207 -13.668 0.730 357 HE2 HIS 45 HE2 HIS 45 -2.433 -11.725 -0.673 358 H VAL 46 H VAL 46 -2.987 -7.763 1.097 359 HA VAL 46 HA VAL 46 -4.354 -7.306 -1.443 360 HB VAL 46 HB VAL 46 -2.450 -5.170 -0.625 361 1HG1 VAL 46 1HG1 VAL 46 -4.038 -5.676 -2.822 362 2HG1 VAL 46 3HG1 VAL 46 -4.932 -4.436 -1.943 363 3HG1 VAL 46 2HG1 VAL 46 -3.263 -4.142 -2.431 364 1HG2 VAL 46 1HG2 VAL 46 -5.299 -5.331 0.342 365 2HG2 VAL 46 3HG2 VAL 46 -3.838 -5.208 1.323 366 3HG2 VAL 46 2HG2 VAL 46 -4.345 -3.845 0.320 367 H CYS 47 H CYS 47 -3.249 -8.794 -2.593 368 HA CYS 47 HA CYS 47 -0.424 -9.200 -2.269 369 1HB CYS 47 2HB CYS 47 -1.906 -11.063 -2.872 370 2HB CYS 47 1HB CYS 47 -2.324 -10.252 -4.378 371 H ALA 48 H ALA 48 -0.213 -6.740 -2.689 372 HA ALA 48 HA ALA 48 1.079 -6.412 -5.193 373 1HB ALA 48 3HB ALA 48 -1.371 -6.210 -5.815 374 2HB ALA 48 1HB ALA 48 -0.325 -4.873 -6.297 375 3HB ALA 48 2HB ALA 48 -1.378 -4.706 -4.892 376 H ALA 49 H ALA 49 2.700 -5.048 -4.834 377 HA ALA 49 HA ALA 49 3.321 -3.820 -2.500 378 1HB ALA 49 2HB ALA 49 5.140 -3.314 -3.666 379 2HB ALA 49 1HB ALA 49 4.300 -3.732 -5.159 380 3HB ALA 49 3HB ALA 49 4.243 -2.079 -4.548 381 H GLY 50 H GLY 50 2.259 -2.397 -1.296 382 1HA GLY 50 2HA GLY 50 0.249 -0.994 -1.126 383 2HA GLY 50 1HA GLY 50 0.701 -0.299 -2.674 384 H TRP 51 H TRP 51 1.519 1.668 -2.533 385 HA TRP 51 HA TRP 51 3.712 2.412 -1.026 386 1HB TRP 51 2HB TRP 51 1.506 3.990 -2.312 387 2HB TRP 51 1HB TRP 51 2.763 4.802 -1.380 388 HD1 TRP 51 HD1 TRP 51 2.057 3.431 -4.763 389 HE1 TRP 51 HE1 TRP 51 4.180 3.550 -6.224 390 HE3 TRP 51 HE3 TRP 51 5.483 4.532 -1.135 391 HZ2 TRP 51 HZ2 TRP 51 6.938 4.052 -5.880 392 HZ3 TRP 51 HZ3 TRP 51 7.841 4.816 -1.779 393 HH2 TRP 51 HH2 TRP 51 8.552 4.580 -4.104 394 H MET 52 H MET 52 4.010 3.613 0.839 395 HA MET 52 HA MET 52 1.885 4.436 2.537 396 1HB MET 52 2HB MET 52 2.997 2.688 4.340 397 2HB MET 52 1HB MET 52 1.459 2.460 3.522 398 1HG MET 52 2HG MET 52 2.251 0.826 2.189 399 2HG MET 52 1HG MET 52 3.853 1.550 2.066 400 1HE MET 52 3HE MET 52 1.404 -0.555 3.736 401 2HE MET 52 2HE MET 52 2.513 -1.871 3.357 402 3HE MET 52 1HE MET 52 2.217 -1.424 5.037 403 H ALA 53 H ALA 53 2.865 4.915 4.833 404 HA ALA 53 HA ALA 53 4.284 6.284 5.980 405 1HB ALA 53 1HB ALA 53 6.660 5.048 4.728 406 2HB ALA 53 3HB ALA 53 6.282 5.319 6.429 407 3HB ALA 53 2HB ALA 53 5.539 3.974 5.564 408 H LYS 54 H LYS 54 6.769 7.318 5.445 409 HA LYS 54 HA LYS 54 6.138 9.513 3.782 410 1HB LYS 54 2HB LYS 54 8.169 8.821 5.640 411 2HB LYS 54 1HB LYS 54 8.965 9.313 4.152 412 1HG LYS 54 2HG LYS 54 6.800 11.100 4.898 413 2HG LYS 54 1HG LYS 54 8.048 10.978 6.138 414 1HD LYS 54 2HD LYS 54 9.304 12.378 4.956 415 2HD LYS 54 1HD LYS 54 9.392 11.170 3.673 416 1HE LYS 54 2HE LYS 54 6.889 12.326 3.361 417 2HE LYS 54 1HE LYS 54 7.946 13.680 3.761 418 1HZ LYS 54 2HZ LYS 54 9.438 12.945 1.969 419 2HZ LYS 54 1HZ LYS 54 8.332 11.734 1.551 420 3HZ LYS 54 3HZ LYS 54 7.902 13.364 1.399 421 H GLY 55 H GLY 55 6.911 6.446 2.874 422 1HA GLY 55 1HA GLY 55 8.662 7.105 0.658 423 2HA GLY 55 2HA GLY 55 7.000 6.748 0.203 424 H ARG 56 H ARG 56 7.103 4.898 2.721 425 HA ARG 56 HA ARG 56 8.785 2.749 1.723 426 1HB ARG 56 2HB ARG 56 7.468 3.414 4.252 427 2HB ARG 56 1HB ARG 56 7.351 1.710 3.835 428 1HG ARG 56 2HG ARG 56 9.717 1.486 3.743 429 2HG ARG 56 1HG ARG 56 9.944 3.232 3.873 430 1HD ARG 56 2HD ARG 56 9.631 3.240 6.107 431 2HD ARG 56 1HD ARG 56 8.389 1.991 6.042 432 HE ARG 56 HE ARG 56 10.715 0.680 5.466 433 1HH1 ARG 56 2HH1 ARG 56 9.592 2.678 8.088 434 2HH1 ARG 56 1HH1 ARG 56 10.564 1.884 9.281 435 1HH2 ARG 56 1HH2 ARG 56 12.001 -0.372 7.027 436 2HH2 ARG 56 2HH2 ARG 56 11.935 0.150 8.678 437 H VAL 57 H VAL 57 8.092 1.155 0.455 438 HA VAL 57 HA VAL 57 5.188 0.680 0.267 439 HB VAL 57 HB VAL 57 5.491 1.473 -1.841 440 1HG1 VAL 57 1HG1 VAL 57 8.349 0.751 -1.423 441 2HG1 VAL 57 3HG1 VAL 57 7.761 0.996 -3.067 442 3HG1 VAL 57 2HG1 VAL 57 7.631 2.294 -1.882 443 1HG2 VAL 57 3HG2 VAL 57 5.138 -1.124 -1.833 444 2HG2 VAL 57 2HG2 VAL 57 5.423 -0.261 -3.345 445 3HG2 VAL 57 1HG2 VAL 57 6.743 -1.133 -2.565 446 H GLY 58 H GLY 58 4.643 -1.254 1.008 447 1HA GLY 58 2HA GLY 58 5.627 -3.270 2.125 448 2HA GLY 58 1HA GLY 58 6.553 -3.481 0.646 449 H TYR 59 H TYR 59 5.081 -5.577 1.493 450 HA TYR 59 HA TYR 59 2.554 -5.507 0.019 451 1HB TYR 59 2HB TYR 59 3.926 -7.990 -0.543 452 2HB TYR 59 1HB TYR 59 3.208 -6.833 -1.661 453 HD1 TYR 59 HD1 TYR 59 4.598 -4.798 -2.326 454 HD2 TYR 59 HD2 TYR 59 6.252 -8.202 -0.383 455 HE1 TYR 59 HE1 TYR 59 6.839 -4.143 -3.099 456 HE2 TYR 59 HE2 TYR 59 8.496 -7.558 -1.152 457 HH TYR 59 HH TYR 59 9.167 -4.499 -2.512 458 HA PRO 60 HA PRO 60 1.934 -7.895 3.841 459 1HB PRO 60 2HB PRO 60 -0.511 -6.939 4.392 460 2HB PRO 60 1HB PRO 60 0.949 -6.012 4.740 461 1HG PRO 60 2HG PRO 60 -1.001 -5.715 2.507 462 2HG PRO 60 1HG PRO 60 -0.130 -4.466 3.410 463 1HD PRO 60 1HD PRO 60 0.580 -5.422 0.900 464 2HD PRO 60 2HD PRO 60 1.662 -4.562 2.012 465 H ILE 61 H ILE 61 1.191 -9.929 3.829 466 HA ILE 61 HA ILE 61 -1.153 -10.579 2.179 467 HB ILE 61 HB ILE 61 1.329 -12.295 2.305 468 1HG1 ILE 61 1HG1 ILE 61 1.587 -10.131 1.024 469 2HG1 ILE 61 2HG1 ILE 61 1.843 -11.595 0.080 470 1HG2 ILE 61 1HG2 ILE 61 -0.907 -13.415 2.002 471 2HG2 ILE 61 3HG2 ILE 61 -1.041 -12.552 0.470 472 3HG2 ILE 61 2HG2 ILE 61 0.271 -13.703 0.721 473 1HD1 ILE 61 3HD1 ILE 61 -0.840 -11.094 -0.252 474 2HD1 ILE 61 2HD1 ILE 61 -0.113 -9.486 -0.251 475 3HD1 ILE 61 1HD1 ILE 61 0.447 -10.706 -1.394 476 H VAL 62 H VAL 62 -2.626 -11.138 3.662 477 HA VAL 62 HA VAL 62 -2.042 -12.232 6.198 478 HB VAL 62 HB VAL 62 -4.682 -12.518 4.775 479 1HG1 VAL 62 1HG1 VAL 62 -3.869 -12.347 7.670 480 2HG1 VAL 62 3HG1 VAL 62 -5.540 -12.235 7.115 481 3HG1 VAL 62 2HG1 VAL 62 -4.614 -13.710 6.837 482 1HG2 VAL 62 1HG2 VAL 62 -3.773 -10.186 4.615 483 2HG2 VAL 62 3HG2 VAL 62 -5.305 -10.329 5.478 484 3HG2 VAL 62 2HG2 VAL 62 -3.801 -10.125 6.378 485 H LYS 63 H LYS 63 -3.198 -13.716 3.187 486 HA LYS 63 HA LYS 63 -2.518 -16.348 4.328 487 1HB LYS 63 2HB LYS 63 -4.181 -17.061 2.369 488 2HB LYS 63 1HB LYS 63 -4.748 -16.661 3.984 489 1HG LYS 63 2HG LYS 63 -4.734 -14.217 2.763 490 2HG LYS 63 1HG LYS 63 -5.199 -15.298 1.446 491 1HD LYS 63 2HD LYS 63 -6.919 -16.277 3.002 492 2HD LYS 63 1HD LYS 63 -6.546 -14.965 4.119 493 1HE LYS 63 2HE LYS 63 -6.953 -13.709 1.673 494 2HE LYS 63 1HE LYS 63 -8.194 -14.958 1.743 495 1HZ LYS 63 1HZ LYS 63 -7.700 -12.967 3.888 496 2HZ LYS 63 3HZ LYS 63 -8.901 -12.823 2.705 497 3HZ LYS 63 2HZ LYS 63 -8.962 -14.090 3.823 498 HA PRO 64 HA PRO 64 0.623 -15.740 1.051 499 1HB PRO 64 2HB PRO 64 1.621 -18.202 2.369 500 2HB PRO 64 1HB PRO 64 2.481 -16.716 1.963 501 1HG PRO 64 2HG PRO 64 1.813 -17.288 4.487 502 2HG PRO 64 1HG PRO 64 1.776 -15.627 3.874 503 1HD PRO 64 2HD PRO 64 -0.481 -17.507 4.398 504 2HD PRO 64 1HD PRO 64 -0.402 -15.747 4.613 505 H GLY 65 H GLY 65 0.749 -16.691 -0.920 506 1HA GLY 65 2HA GLY 65 -0.739 -17.968 -2.433 507 2HA GLY 65 1HA GLY 65 -0.662 -19.267 -1.253 508 HA PRO 66 HA PRO 66 2.637 -20.488 -4.056 509 1HB PRO 66 2HB PRO 66 2.123 -20.046 -6.656 510 2HB PRO 66 1HB PRO 66 1.169 -21.176 -5.691 511 1HG PRO 66 2HG PRO 66 0.478 -18.452 -6.634 512 2HG PRO 66 1HG PRO 66 -0.574 -19.837 -6.342 513 1HD PRO 66 2HD PRO 66 -0.150 -17.632 -4.640 514 2HD PRO 66 1HD PRO 66 -0.994 -19.135 -4.251 515 H ASN 67 H ASN 67 2.065 -17.899 -6.377 516 HA ASN 67 HA ASN 67 4.783 -16.915 -5.853 517 1HB ASN 67 2HB ASN 67 4.145 -15.728 -8.182 518 2HB ASN 67 1HB ASN 67 4.858 -17.335 -8.090 519 1HD2 ASN 67 2HD2 ASN 67 3.340 -19.159 -8.050 520 2HD2 ASN 67 1HD2 ASN 67 1.888 -19.037 -8.976 521 H CYS 68 H CYS 68 1.497 -16.119 -5.527 522 HA CYS 68 HA CYS 68 1.669 -13.293 -5.751 523 1HB CYS 68 2HB CYS 68 -0.392 -15.046 -5.571 524 2HB CYS 68 1HB CYS 68 -0.365 -14.419 -3.926 525 H GLY 69 H GLY 69 1.879 -15.540 -3.031 526 1HA GLY 69 1HA GLY 69 2.044 -14.864 -0.729 527 2HA GLY 69 2HA GLY 69 2.606 -13.290 -1.276 528 H PHE 70 H PHE 70 3.868 -16.107 -2.818 529 HA PHE 70 HA PHE 70 5.940 -17.036 -2.888 530 1HB PHE 70 2HB PHE 70 6.406 -14.419 -3.003 531 2HB PHE 70 1HB PHE 70 7.170 -14.734 -1.449 532 HD1 PHE 70 HD1 PHE 70 7.088 -16.192 -4.883 533 HD2 PHE 70 HD2 PHE 70 9.409 -15.203 -1.457 534 HE1 PHE 70 HE1 PHE 70 9.117 -16.964 -6.041 535 HE2 PHE 70 HE2 PHE 70 11.443 -15.972 -2.608 536 HZ PHE 70 HZ PHE 70 11.299 -16.855 -4.903 537 H GLY 71 H GLY 71 4.193 -17.208 -0.433 538 1HA GLY 71 1HA GLY 71 5.999 -18.759 1.143 539 2HA GLY 71 2HA GLY 71 4.316 -18.414 1.528 540 H LYS 72 H LYS 72 5.218 -15.451 1.101 541 HA LYS 72 HA LYS 72 6.841 -14.996 3.451 542 1HB LYS 72 2HB LYS 72 5.460 -13.016 1.630 543 2HB LYS 72 1HB LYS 72 6.657 -12.625 2.858 544 1HG LYS 72 2HG LYS 72 8.329 -13.931 1.638 545 2HG LYS 72 1HG LYS 72 7.126 -14.307 0.403 546 1HD LYS 72 2HD LYS 72 7.172 -12.205 -0.480 547 2HD LYS 72 1HD LYS 72 7.566 -11.448 1.065 548 1HE LYS 72 2HE LYS 72 9.466 -13.075 -0.621 549 2HE LYS 72 1HE LYS 72 9.424 -11.314 -0.542 550 1HZ LYS 72 2HZ LYS 72 9.871 -11.514 1.871 551 2HZ LYS 72 1HZ LYS 72 10.081 -13.179 1.669 552 3HZ LYS 72 3HZ LYS 72 11.130 -12.096 0.903 553 H THR 73 H THR 73 6.185 -13.810 5.289 554 HA THR 73 HA THR 73 3.275 -13.703 5.719 555 HB THR 73 HB THR 73 4.244 -14.072 8.236 556 HG1 THR 73 HG1 THR 73 5.570 -16.157 7.043 557 1HG2 THR 73 1HG2 THR 73 3.253 -16.067 6.213 558 2HG2 THR 73 3HG2 THR 73 3.508 -16.478 7.909 559 3HG2 THR 73 2HG2 THR 73 2.332 -15.239 7.468 560 H GLY 74 H GLY 74 2.514 -11.807 6.414 561 1HA GLY 74 2HA GLY 74 4.260 -9.997 7.908 562 2HA GLY 74 1HA GLY 74 2.517 -9.839 7.717 563 H ILE 75 H ILE 75 3.833 -7.579 7.391 564 HA ILE 75 HA ILE 75 3.399 -6.964 4.612 565 HB ILE 75 HB ILE 75 4.555 -5.064 6.624 566 1HG1 ILE 75 2HG1 ILE 75 2.040 -6.432 6.817 567 2HG1 ILE 75 1HG1 ILE 75 2.732 -5.238 7.907 568 1HG2 ILE 75 3HG2 ILE 75 4.107 -4.730 4.009 569 2HG2 ILE 75 2HG2 ILE 75 2.524 -4.267 4.636 570 3HG2 ILE 75 1HG2 ILE 75 3.971 -3.424 5.190 571 1HD1 ILE 75 3HD1 ILE 75 1.838 -3.488 6.300 572 2HD1 ILE 75 2HD1 ILE 75 0.898 -4.798 5.584 573 3HD1 ILE 75 1HD1 ILE 75 0.663 -4.366 7.279 574 H ILE 76 H ILE 76 4.994 -7.886 3.383 575 HA ILE 76 HA ILE 76 7.753 -7.815 4.039 576 HB ILE 76 HB ILE 76 6.623 -8.111 1.260 577 1HG1 ILE 76 2HG1 ILE 76 5.391 -9.686 2.545 578 2HG1 ILE 76 1HG1 ILE 76 6.700 -10.597 1.800 579 1HG2 ILE 76 2HG2 ILE 76 9.243 -8.269 2.405 580 2HG2 ILE 76 1HG2 ILE 76 8.786 -9.836 1.738 581 3HG2 ILE 76 3HG2 ILE 76 8.753 -8.400 0.715 582 1HD1 ILE 76 3HD1 ILE 76 7.564 -9.630 4.336 583 2HD1 ILE 76 2HD1 ILE 76 6.011 -10.447 4.516 584 3HD1 ILE 76 1HD1 ILE 76 7.373 -11.293 3.781 585 H ASP 77 H ASP 77 8.096 -5.598 4.579 586 HA ASP 77 HA ASP 77 8.172 -3.774 2.269 587 1HB ASP 77 2HB ASP 77 6.912 -3.323 4.603 588 2HB ASP 77 1HB ASP 77 8.507 -2.705 5.019 589 H TYR 78 H TYR 78 10.101 -3.329 1.451 590 HA TYR 78 HA TYR 78 12.497 -4.101 2.880 591 1HB TYR 78 2HB TYR 78 12.098 -2.994 0.094 592 2HB TYR 78 1HB TYR 78 13.624 -3.570 0.746 593 HD1 TYR 78 HD1 TYR 78 10.126 -4.886 0.643 594 HD2 TYR 78 HD2 TYR 78 14.250 -5.614 -0.107 595 HE1 TYR 78 HE1 TYR 78 9.580 -7.163 -0.105 596 HE2 TYR 78 HE2 TYR 78 13.717 -7.893 -0.859 597 HH TYR 78 HH TYR 78 11.105 -9.488 -0.187 598 H GLY 79 H GLY 79 10.614 -1.370 2.719 599 1HA GLY 79 2HA GLY 79 12.792 0.265 3.775 600 2HA GLY 79 1HA GLY 79 11.071 0.637 3.859 601 H ILE 80 H ILE 80 12.018 2.787 3.185 602 HA ILE 80 HA ILE 80 11.337 3.338 0.530 603 HB ILE 80 HB ILE 80 13.157 5.036 2.236 604 1HG1 ILE 80 1HG1 ILE 80 10.213 5.487 2.168 605 2HG1 ILE 80 2HG1 ILE 80 10.807 4.160 3.159 606 1HG2 ILE 80 3HG2 ILE 80 11.953 5.356 -0.348 607 2HG2 ILE 80 2HG2 ILE 80 11.343 6.583 0.762 608 3HG2 ILE 80 1HG2 ILE 80 13.079 6.417 0.500 609 1HD1 ILE 80 2HD1 ILE 80 12.366 6.513 3.639 610 2HD1 ILE 80 1HD1 ILE 80 10.649 6.861 3.836 611 3HD1 ILE 80 3HD1 ILE 80 11.396 5.559 4.761 612 H ARG 81 H ARG 81 12.390 2.993 -1.306 613 HA ARG 81 HA ARG 81 15.275 2.461 -1.199 614 1HB ARG 81 2HB ARG 81 13.078 1.628 -3.053 615 2HB ARG 81 1HB ARG 81 14.736 1.661 -3.640 616 1HG ARG 81 2HG ARG 81 13.989 0.200 -1.132 617 2HG ARG 81 1HG ARG 81 13.833 -0.543 -2.725 618 1HD ARG 81 2HD ARG 81 16.377 0.644 -1.627 619 2HD ARG 81 1HD ARG 81 15.975 -1.071 -1.588 620 HE ARG 81 HE ARG 81 16.115 0.356 -4.153 621 1HH1 ARG 81 2HH1 ARG 81 17.247 -2.133 -1.997 622 2HH1 ARG 81 1HH1 ARG 81 18.204 -2.924 -3.204 623 1HH2 ARG 81 2HH2 ARG 81 17.373 -0.677 -5.751 624 2HH2 ARG 81 1HH2 ARG 81 18.278 -2.096 -5.338 625 H LEU 82 H LEU 82 13.645 5.107 -1.423 626 HA LEU 82 HA LEU 82 13.857 7.129 -2.446 627 1HB LEU 82 2HB LEU 82 16.348 6.266 -1.848 628 2HB LEU 82 1HB LEU 82 16.505 6.475 -3.580 629 HG LEU 82 HG LEU 82 17.242 8.448 -2.275 630 1HD1 LEU 82 1HD1 LEU 82 16.203 8.498 -4.632 631 2HD1 LEU 82 3HD1 LEU 82 14.804 9.217 -3.833 632 3HD1 LEU 82 2HD1 LEU 82 16.373 10.017 -3.752 633 1HD2 LEU 82 3HD2 LEU 82 15.539 8.181 -0.471 634 2HD2 LEU 82 2HD2 LEU 82 15.680 9.822 -1.103 635 3HD2 LEU 82 1HD2 LEU 82 14.330 8.800 -1.596 636 H ASN 83 H ASN 83 12.388 5.453 -3.951 637 HA ASN 83 HA ASN 83 13.001 6.366 -6.642 638 1HB ASN 83 2HB ASN 83 13.880 3.899 -6.053 639 2HB ASN 83 1HB ASN 83 12.218 3.505 -6.483 640 1HD2 ASN 83 1HD2 ASN 83 11.572 5.002 -8.516 641 2HD2 ASN 83 2HD2 ASN 83 12.644 4.797 -9.854 642 H ARG 84 H ARG 84 11.079 7.527 -5.375 643 HA ARG 84 HA ARG 84 8.574 6.295 -5.216 644 1HB ARG 84 2HB ARG 84 9.066 9.203 -5.849 645 2HB ARG 84 1HB ARG 84 7.667 8.503 -5.052 646 1HG ARG 84 2HG ARG 84 8.649 8.508 -3.049 647 2HG ARG 84 1HG ARG 84 10.190 7.945 -3.698 648 1HD ARG 84 2HD ARG 84 9.355 10.729 -4.308 649 2HD ARG 84 1HD ARG 84 9.900 10.371 -2.670 650 HE ARG 84 HE ARG 84 12.041 10.004 -3.477 651 1HH1 ARG 84 1HH1 ARG 84 9.805 10.511 -6.099 652 2HH1 ARG 84 2HH1 ARG 84 11.046 10.725 -7.288 653 1HH2 ARG 84 2HH2 ARG 84 13.682 10.284 -5.036 654 2HH2 ARG 84 1HH2 ARG 84 13.249 10.596 -6.684 655 H SER 85 H SER 85 10.425 6.965 -7.924 656 HA SER 85 HA SER 85 8.277 7.548 -9.750 657 1HB SER 85 2HB SER 85 11.193 6.871 -10.156 658 2HB SER 85 1HB SER 85 10.082 7.169 -11.492 659 HG SER 85 HG SER 85 9.814 9.138 -9.726 660 H GLU 86 H GLU 86 8.632 4.932 -8.071 661 HA GLU 86 HA GLU 86 8.724 2.885 -10.091 662 1HB GLU 86 2HB GLU 86 8.285 2.941 -7.129 663 2HB GLU 86 1HB GLU 86 7.868 1.495 -8.038 664 1HG GLU 86 2HG GLU 86 10.519 2.543 -8.659 665 2HG GLU 86 1HG GLU 86 10.319 2.058 -6.976 666 H ARG 87 H ARG 87 6.809 1.140 -9.729 667 HA ARG 87 HA ARG 87 4.251 2.574 -9.836 668 1HB ARG 87 2HB ARG 87 4.790 0.367 -11.785 669 2HB ARG 87 1HB ARG 87 3.603 1.660 -11.867 670 1HG ARG 87 2HG ARG 87 5.641 3.222 -12.078 671 2HG ARG 87 1HG ARG 87 6.529 1.751 -12.476 672 1HD ARG 87 2HD ARG 87 5.877 2.123 -14.579 673 2HD ARG 87 1HD ARG 87 4.297 1.543 -14.053 674 HE ARG 87 HE ARG 87 4.800 4.379 -13.697 675 1HH1 ARG 87 1HH1 ARG 87 3.432 1.864 -15.678 676 2HH1 ARG 87 2HH1 ARG 87 2.368 2.934 -16.529 677 1HH2 ARG 87 1HH2 ARG 87 3.404 5.797 -14.810 678 2HH2 ARG 87 2HH2 ARG 87 2.352 5.171 -16.036 679 H TRP 88 H TRP 88 2.961 1.748 -8.378 680 HA TRP 88 HA TRP 88 2.613 -1.129 -8.159 681 1HB TRP 88 2HB TRP 88 3.105 0.430 -5.627 682 2HB TRP 88 1HB TRP 88 3.067 -1.315 -5.849 683 HD1 TRP 88 HD1 TRP 88 5.414 1.567 -5.712 684 HE1 TRP 88 HE1 TRP 88 7.808 0.784 -6.251 685 HE3 TRP 88 HE3 TRP 88 4.360 -3.113 -7.478 686 HZ2 TRP 88 HZ2 TRP 88 9.079 -1.516 -7.285 687 HZ3 TRP 88 HZ3 TRP 88 6.219 -4.542 -8.220 688 HH2 TRP 88 HH2 TRP 88 8.530 -3.759 -8.125 689 H ASP 89 H ASP 89 1.396 -0.253 -5.397 690 HA ASP 89 HA ASP 89 -1.138 0.734 -6.533 691 1HB ASP 89 2HB ASP 89 -0.890 -0.909 -4.012 692 2HB ASP 89 1HB ASP 89 -2.343 -0.567 -4.948 693 H ALA 90 H ALA 90 -2.460 1.289 -4.177 694 HA ALA 90 HA ALA 90 -0.773 3.100 -2.642 695 1HB ALA 90 3HB ALA 90 -1.447 4.501 -4.480 696 2HB ALA 90 1HB ALA 90 -2.300 5.008 -3.022 697 3HB ALA 90 2HB ALA 90 -3.139 4.056 -4.247 698 H TYR 91 H TYR 91 -1.256 2.778 -0.571 699 HA TYR 91 HA TYR 91 -3.805 1.600 0.169 700 1HB TYR 91 2HB TYR 91 -1.203 2.090 1.577 701 2HB TYR 91 1HB TYR 91 -2.655 1.778 2.518 702 HD1 TYR 91 HD1 TYR 91 -4.022 -0.367 1.749 703 HD2 TYR 91 HD2 TYR 91 0.106 0.300 0.962 704 HE1 TYR 91 HE1 TYR 91 -3.695 -2.783 1.443 705 HE2 TYR 91 HE2 TYR 91 0.443 -2.116 0.654 706 HH TYR 91 HH TYR 91 -1.141 -4.122 -0.043 707 H CYS 92 H CYS 92 -5.435 3.053 0.224 708 HA CYS 92 HA CYS 92 -5.011 5.750 1.143 709 1HB CYS 92 2HB CYS 92 -7.469 4.251 0.233 710 2HB CYS 92 1HB CYS 92 -7.491 5.934 0.736 711 H TYR 93 H TYR 93 -6.067 6.714 2.940 712 HA TYR 93 HA TYR 93 -7.308 4.966 4.903 713 1HB TYR 93 2HB TYR 93 -4.956 4.759 5.449 714 2HB TYR 93 1HB TYR 93 -4.765 6.503 5.437 715 HD1 TYR 93 HD1 TYR 93 -6.586 7.707 7.097 716 HD2 TYR 93 HD2 TYR 93 -4.991 3.784 7.524 717 HE1 TYR 93 HE1 TYR 93 -7.079 7.775 9.506 718 HE2 TYR 93 HE2 TYR 93 -5.484 3.840 9.932 719 HH TYR 93 HH TYR 93 -5.826 5.527 11.704 720 H ASN 94 H ASN 94 -8.981 5.981 5.790 721 HA ASN 94 HA ASN 94 -8.894 8.897 6.105 722 1HB ASN 94 2HB ASN 94 -11.142 7.328 4.824 723 2HB ASN 94 1HB ASN 94 -11.275 9.009 5.330 724 1HD2 ASN 94 2HD2 ASN 94 -11.367 10.157 3.536 725 2HD2 ASN 94 1HD2 ASN 94 -10.265 10.048 2.211 726 HA PRO 95 HA PRO 95 -10.629 8.360 10.113 727 1HB PRO 95 2HB PRO 95 -12.800 10.086 10.062 728 2HB PRO 95 1HB PRO 95 -11.133 10.566 10.396 729 1HG PRO 95 2HG PRO 95 -12.688 10.744 7.852 730 2HG PRO 95 1HG PRO 95 -11.519 11.887 8.536 731 1HD PRO 95 1HD PRO 95 -10.868 10.249 6.514 732 2HD PRO 95 2HD PRO 95 -9.699 10.670 7.782 733 H HIS 96 H HIS 96 -13.278 8.745 7.757 734 HA HIS 96 HA HIS 96 -14.711 6.555 9.084 735 1HB HIS 96 2HB HIS 96 -16.714 7.404 8.136 736 2HB HIS 96 1HB HIS 96 -15.822 8.815 8.697 737 HD1 HIS 96 HD1 HIS 96 -17.023 7.127 5.596 738 HD2 HIS 96 HD2 HIS 96 -14.875 10.517 6.672 739 HE1 HIS 96 HE1 HIS 96 -16.894 8.529 3.513 740 HE2 HIS 96 HE2 HIS 96 -15.666 10.615 4.212 741 H ALA 97 H ALA 97 -13.214 7.530 6.102 742 HA ALA 97 HA ALA 97 -13.306 6.524 3.981 743 1HB ALA 97 1HB ALA 97 -11.241 5.759 4.461 744 2HB ALA 97 2HB ALA 97 -12.046 4.190 4.467 745 3HB ALA 97 3HB ALA 97 -11.750 5.034 5.987 746 H LYS 98 H LYS 98 -15.772 6.284 4.217 747 HA LYS 98 HA LYS 98 -16.985 3.875 4.900 748 1HB LYS 98 2HB LYS 98 -18.906 4.700 3.890 749 2HB LYS 98 1HB LYS 98 -18.019 6.170 4.271 750 1HG LYS 98 2HG LYS 98 -18.116 6.774 2.148 751 2HG LYS 98 1HG LYS 98 -17.211 5.329 1.693 752 1HD LYS 98 2HD LYS 98 -19.485 4.124 1.854 753 2HD LYS 98 1HD LYS 98 -20.179 5.744 1.785 754 1HE LYS 98 2HE LYS 98 -19.811 5.906 -0.407 755 2HE LYS 98 1HE LYS 98 -18.144 5.351 -0.240 756 1HZ LYS 98 2HZ LYS 98 -19.507 3.078 0.132 757 2HZ LYS 98 1HZ LYS 98 -20.521 3.870 -0.965 758 3HZ LYS 98 3HZ LYS 98 -18.902 3.584 -1.364 No H/Q in entry = 758 Start of MODEL 9 1 H1 GLY 1 3H GLY 1 -11.486 4.096 7.342 2 H2 GLY 1 2H GLY 1 -12.171 2.936 8.365 3 H3 GLY 1 1H GLY 1 -11.543 4.368 9.010 4 1HA GLY 1 2HA GLY 1 -10.230 1.965 8.727 5 2HA GLY 1 1HA GLY 1 -9.529 3.504 9.198 6 H VAL 2 H VAL 2 -8.045 1.626 7.873 7 HA VAL 2 HA VAL 2 -7.404 3.077 5.427 8 HB VAL 2 HB VAL 2 -5.502 2.747 6.765 9 1HG1 VAL 2 2HG1 VAL 2 -6.854 0.503 7.711 10 2HG1 VAL 2 1HG1 VAL 2 -5.376 -0.123 6.983 11 3HG1 VAL 2 3HG1 VAL 2 -5.285 1.104 8.245 12 1HG2 VAL 2 1HG2 VAL 2 -5.593 1.753 4.226 13 2HG2 VAL 2 3HG2 VAL 2 -4.126 1.993 5.176 14 3HG2 VAL 2 2HG2 VAL 2 -4.895 0.406 5.127 15 H TYR 3 H TYR 3 -7.324 2.175 3.399 16 HA TYR 3 HA TYR 3 -8.056 -0.630 3.077 17 1HB TYR 3 2HB TYR 3 -9.760 -0.041 1.356 18 2HB TYR 3 1HB TYR 3 -10.204 0.465 2.981 19 HD1 TYR 3 HD1 TYR 3 -9.826 2.913 3.612 20 HD2 TYR 3 HD2 TYR 3 -9.695 1.504 -0.400 21 HE1 TYR 3 HE1 TYR 3 -10.181 5.208 2.801 22 HE2 TYR 3 HE2 TYR 3 -10.049 3.793 -1.222 23 HH TYR 3 HH TYR 3 -9.893 6.032 -0.562 24 H HIS 4 H HIS 4 -8.145 -1.055 0.545 25 HA HIS 4 HA HIS 4 -5.566 -0.106 -0.448 26 1HB HIS 4 2HB HIS 4 -6.057 -2.557 -0.320 27 2HB HIS 4 1HB HIS 4 -7.299 -2.324 -1.546 28 HD1 HIS 4 HD1 HIS 4 -6.558 -2.389 -3.932 29 HD2 HIS 4 HD2 HIS 4 -3.376 -1.980 -1.293 30 HE1 HIS 4 HE1 HIS 4 -4.487 -2.609 -5.338 31 HE2 HIS 4 HE2 HIS 4 -2.575 -2.461 -3.704 32 H ARG 5 H ARG 5 -5.319 0.425 -2.723 33 HA ARG 5 HA ARG 5 -7.700 1.224 -4.176 34 1HB ARG 5 2HB ARG 5 -7.153 3.141 -2.671 35 2HB ARG 5 1HB ARG 5 -5.588 3.261 -3.461 36 1HG ARG 5 2HG ARG 5 -6.652 4.790 -4.718 37 2HG ARG 5 1HG ARG 5 -7.193 3.368 -5.612 38 1HD ARG 5 2HD ARG 5 -8.689 5.130 -3.750 39 2HD ARG 5 1HD ARG 5 -9.203 4.390 -5.265 40 HE ARG 5 HE ARG 5 -8.972 2.923 -2.717 41 1HH1 ARG 5 1HH1 ARG 5 -10.513 3.529 -5.781 42 2HH1 ARG 5 2HH1 ARG 5 -11.729 2.314 -5.556 43 1HH2 ARG 5 1HH2 ARG 5 -10.568 1.322 -2.411 44 2HH2 ARG 5 2HH2 ARG 5 -11.760 1.061 -3.640 45 H GLU 6 H GLU 6 -7.317 1.654 -6.389 46 HA GLU 6 HA GLU 6 -4.629 0.902 -7.332 47 1HB GLU 6 2HB GLU 6 -6.058 -0.954 -7.792 48 2HB GLU 6 1HB GLU 6 -7.324 0.090 -8.419 49 1HG GLU 6 2HG GLU 6 -6.022 0.601 -10.360 50 2HG GLU 6 1HG GLU 6 -4.623 -0.247 -9.699 51 H ALA 7 H ALA 7 -4.397 1.518 -9.744 52 HA ALA 7 HA ALA 7 -4.966 4.364 -9.919 53 1HB ALA 7 2HB ALA 7 -3.196 4.524 -11.354 54 2HB ALA 7 3HB ALA 7 -3.475 2.931 -12.055 55 3HB ALA 7 1HB ALA 7 -2.725 3.075 -10.465 56 H ARG 8 H ARG 8 -5.783 5.335 -11.888 57 HA ARG 8 HA ARG 8 -8.160 4.097 -12.797 58 1HB ARG 8 2HB ARG 8 -6.748 6.637 -13.254 59 2HB ARG 8 1HB ARG 8 -7.712 6.088 -14.618 60 1HG ARG 8 2HG ARG 8 -9.165 5.851 -12.132 61 2HG ARG 8 1HG ARG 8 -8.600 7.500 -12.405 62 1HD ARG 8 2HD ARG 8 -9.528 7.067 -14.826 63 2HD ARG 8 1HD ARG 8 -10.501 5.851 -14.000 64 HE ARG 8 HE ARG 8 -10.696 8.263 -12.589 65 1HH1 ARG 8 1HH1 ARG 8 -11.645 6.876 -15.640 66 2HH1 ARG 8 2HH1 ARG 8 -13.052 7.872 -15.803 67 1HH2 ARG 8 1HH2 ARG 8 -12.546 9.581 -12.796 68 2HH2 ARG 8 2HH2 ARG 8 -13.564 9.411 -14.186 69 H SER 9 H SER 9 -4.908 3.924 -13.842 70 HA SER 9 HA SER 9 -5.626 2.987 -16.512 71 1HB SER 9 2HB SER 9 -2.941 3.479 -15.204 72 2HB SER 9 1HB SER 9 -3.146 2.885 -16.852 73 HG SER 9 HG SER 9 -4.464 5.232 -16.066 74 H GLY 10 H GLY 10 -4.688 1.789 -13.406 75 1HA GLY 10 2HA GLY 10 -4.189 -0.889 -14.516 76 2HA GLY 10 1HA GLY 10 -5.469 -0.677 -13.331 77 H LYS 11 H LYS 11 -4.127 -2.332 -12.213 78 HA LYS 11 HA LYS 11 -2.776 -1.220 -10.041 79 1HB LYS 11 2HB LYS 11 -3.835 -3.450 -10.022 80 2HB LYS 11 1HB LYS 11 -2.579 -4.046 -11.099 81 1HG LYS 11 2HG LYS 11 -0.899 -3.494 -9.355 82 2HG LYS 11 1HG LYS 11 -2.229 -3.069 -8.274 83 1HD LYS 11 2HD LYS 11 -2.079 -5.224 -7.640 84 2HD LYS 11 1HD LYS 11 -3.018 -5.522 -9.104 85 1HE LYS 11 2HE LYS 11 -0.758 -5.696 -10.293 86 2HE LYS 11 1HE LYS 11 -0.061 -5.821 -8.679 87 1HZ LYS 11 2HZ LYS 11 -2.259 -7.599 -9.529 88 2HZ LYS 11 1HZ LYS 11 -0.650 -7.965 -9.900 89 3HZ LYS 11 3HZ LYS 11 -1.136 -7.825 -8.284 90 H TYR 12 H TYR 12 -0.554 -1.419 -9.396 91 HA TYR 12 HA TYR 12 1.672 -1.068 -9.687 92 1HB TYR 12 2HB TYR 12 1.104 -3.015 -11.913 93 2HB TYR 12 1HB TYR 12 2.725 -2.388 -11.630 94 HD1 TYR 12 HD1 TYR 12 1.098 -2.557 -8.538 95 HD2 TYR 12 HD2 TYR 12 2.959 -5.032 -11.456 96 HE1 TYR 12 HE1 TYR 12 1.468 -4.285 -6.827 97 HE2 TYR 12 HE2 TYR 12 3.335 -6.767 -9.753 98 HH TYR 12 HH TYR 12 2.562 -6.208 -6.359 99 H LYS 13 H LYS 13 0.356 1.072 -10.428 100 HA LYS 13 HA LYS 13 1.945 2.119 -12.612 101 1HB LYS 13 2HB LYS 13 -1.052 1.905 -12.724 102 2HB LYS 13 1HB LYS 13 -0.201 3.174 -13.594 103 1HG LYS 13 2HG LYS 13 1.188 0.945 -14.341 104 2HG LYS 13 1HG LYS 13 -0.459 0.330 -14.196 105 1HD LYS 13 2HD LYS 13 -0.651 2.811 -15.506 106 2HD LYS 13 1HD LYS 13 0.693 1.951 -16.261 107 1HE LYS 13 2HE LYS 13 -1.977 0.660 -15.783 108 2HE LYS 13 1HE LYS 13 -1.624 1.575 -17.247 109 1HZ LYS 13 3HZ LYS 13 0.413 0.024 -17.381 110 2HZ LYS 13 2HZ LYS 13 -0.466 -0.972 -16.334 111 3HZ LYS 13 1HZ LYS 13 -1.101 -0.569 -17.850 112 H LEU 14 H LEU 14 0.820 2.392 -9.602 113 HA LEU 14 HA LEU 14 0.529 5.316 -9.669 114 1HB LEU 14 2HB LEU 14 -0.390 3.179 -7.813 115 2HB LEU 14 1HB LEU 14 -0.057 4.761 -7.142 116 HG LEU 14 HG LEU 14 -1.864 4.511 -9.516 117 1HD1 LEU 14 3HD1 LEU 14 -2.443 2.943 -7.478 118 2HD1 LEU 14 2HD1 LEU 14 -3.031 4.453 -6.783 119 3HD1 LEU 14 1HD1 LEU 14 -3.692 3.869 -8.310 120 1HD2 LEU 14 1HD2 LEU 14 -0.953 6.597 -7.840 121 2HD2 LEU 14 3HD2 LEU 14 -2.106 6.686 -9.172 122 3HD2 LEU 14 2HD2 LEU 14 -2.675 6.380 -7.530 123 H THR 15 H THR 15 1.971 6.632 -8.743 124 HA THR 15 HA THR 15 4.337 5.393 -7.508 125 HB THR 15 HB THR 15 5.594 7.333 -8.135 126 HG1 THR 15 HG1 THR 15 3.744 8.722 -9.538 127 1HG2 THR 15 1HG2 THR 15 3.852 6.139 -10.243 128 2HG2 THR 15 3HG2 THR 15 4.913 7.480 -10.674 129 3HG2 THR 15 2HG2 THR 15 5.594 5.996 -10.008 130 H TYR 16 H TYR 16 5.221 6.322 -5.595 131 HA TYR 16 HA TYR 16 3.648 6.783 -3.493 132 1HB TYR 16 2HB TYR 16 6.042 6.689 -3.219 133 2HB TYR 16 1HB TYR 16 6.246 8.213 -4.076 134 HD1 TYR 16 HD1 TYR 16 4.626 6.779 -1.036 135 HD2 TYR 16 HD2 TYR 16 6.376 10.196 -2.875 136 HE1 TYR 16 HE1 TYR 16 4.480 7.995 1.097 137 HE2 TYR 16 HE2 TYR 16 6.237 11.420 -0.745 138 HH TYR 16 HH TYR 16 4.374 10.782 1.624 139 H ALA 17 H ALA 17 4.603 9.282 -5.808 140 HA ALA 17 HA ALA 17 3.245 11.396 -4.461 141 1HB ALA 17 3HB ALA 17 4.146 11.264 -7.336 142 2HB ALA 17 2HB ALA 17 3.730 12.718 -6.429 143 3HB ALA 17 1HB ALA 17 5.148 11.772 -5.976 144 H GLU 18 H GLU 18 2.426 9.291 -7.206 145 HA GLU 18 HA GLU 18 -0.046 10.568 -7.780 146 1HB GLU 18 2HB GLU 18 0.987 7.804 -8.436 147 2HB GLU 18 1HB GLU 18 -0.506 8.474 -9.070 148 1HG GLU 18 2HG GLU 18 0.767 10.282 -10.131 149 2HG GLU 18 1HG GLU 18 2.258 9.568 -9.522 150 H ALA 19 H ALA 19 0.864 7.670 -5.975 151 HA ALA 19 HA ALA 19 -1.625 6.729 -5.243 152 1HB ALA 19 2HB ALA 19 -0.204 5.225 -4.411 153 2HB ALA 19 3HB ALA 19 -0.027 6.291 -3.017 154 3HB ALA 19 1HB ALA 19 1.113 6.399 -4.360 155 H LYS 20 H LYS 20 0.363 9.232 -3.728 156 HA LYS 20 HA LYS 20 -1.344 9.688 -1.510 157 1HB LYS 20 2HB LYS 20 1.125 10.371 -1.843 158 2HB LYS 20 1HB LYS 20 0.480 11.757 -2.709 159 1HG LYS 20 2HG LYS 20 -0.984 11.856 -0.434 160 2HG LYS 20 1HG LYS 20 0.532 11.183 0.166 161 1HD LYS 20 2HD LYS 20 1.286 13.241 -1.558 162 2HD LYS 20 1HD LYS 20 -0.085 13.882 -0.650 163 1HE LYS 20 2HE LYS 20 1.054 13.134 1.444 164 2HE LYS 20 1HE LYS 20 2.461 12.721 0.466 165 1HZ LYS 20 1HZ LYS 20 2.584 15.039 -0.244 166 2HZ LYS 20 3HZ LYS 20 1.264 15.424 0.742 167 3HZ LYS 20 2HZ LYS 20 2.714 14.900 1.437 168 H ALA 21 H ALA 21 -1.173 10.990 -4.764 169 HA ALA 21 HA ALA 21 -2.900 13.181 -4.413 170 1HB ALA 21 1HB ALA 21 -3.245 12.973 -6.901 171 2HB ALA 21 2HB ALA 21 -2.219 11.540 -6.842 172 3HB ALA 21 3HB ALA 21 -1.568 13.110 -6.373 173 H VAL 22 H VAL 22 -3.498 9.786 -5.095 174 HA VAL 22 HA VAL 22 -6.260 10.057 -5.688 175 HB VAL 22 HB VAL 22 -4.486 7.752 -4.998 176 1HG1 VAL 22 2HG1 VAL 22 -7.494 7.618 -5.172 177 2HG1 VAL 22 1HG1 VAL 22 -6.412 6.226 -5.153 178 3HG1 VAL 22 3HG1 VAL 22 -6.507 7.287 -3.747 179 1HG2 VAL 22 1HG2 VAL 22 -6.037 8.710 -7.357 180 2HG2 VAL 22 3HG2 VAL 22 -4.361 8.171 -7.253 181 3HG2 VAL 22 2HG2 VAL 22 -5.672 6.991 -7.206 182 H CYS 23 H CYS 23 -4.551 9.016 -2.746 183 HA CYS 23 HA CYS 23 -6.880 8.715 -1.177 184 1HB CYS 23 2HB CYS 23 -4.424 7.913 -0.740 185 2HB CYS 23 1HB CYS 23 -4.246 9.482 0.039 186 H GLU 24 H GLU 24 -4.466 11.326 -1.294 187 HA GLU 24 HA GLU 24 -5.834 13.078 0.433 188 1HB GLU 24 2HB GLU 24 -3.455 13.334 -0.138 189 2HB GLU 24 1HB GLU 24 -3.893 13.734 -1.794 190 1HG GLU 24 2HG GLU 24 -5.054 15.732 -1.005 191 2HG GLU 24 1HG GLU 24 -4.609 15.331 0.653 192 H PHE 25 H PHE 25 -6.401 12.178 -2.810 193 HA PHE 25 HA PHE 25 -7.569 14.427 -3.929 194 1HB PHE 25 2HB PHE 25 -7.253 11.798 -4.680 195 2HB PHE 25 1HB PHE 25 -9.001 11.940 -4.531 196 HD1 PHE 25 HD1 PHE 25 -6.061 13.591 -6.091 197 HD2 PHE 25 HD2 PHE 25 -10.243 12.827 -6.269 198 HE1 PHE 25 HE1 PHE 25 -6.155 14.648 -8.309 199 HE2 PHE 25 HE2 PHE 25 -10.345 13.883 -8.489 200 HZ PHE 25 HZ PHE 25 -8.300 14.796 -9.512 201 H GLU 26 H GLU 26 -9.083 11.892 -1.973 202 HA GLU 26 HA GLU 26 -11.435 13.630 -1.638 203 1HB GLU 26 2HB GLU 26 -11.301 10.683 -1.022 204 2HB GLU 26 1HB GLU 26 -12.735 11.685 -1.202 205 1HG GLU 26 2HG GLU 26 -12.181 11.992 -3.582 206 2HG GLU 26 1HG GLU 26 -10.814 10.898 -3.377 207 H GLY 27 H GLY 27 -9.490 14.512 -0.147 208 1HA GLY 27 1HA GLY 27 -10.408 14.485 2.453 209 2HA GLY 27 2HA GLY 27 -8.779 14.952 1.990 210 H GLY 28 H GLY 28 -8.145 12.299 0.909 211 1HA GLY 28 2HA GLY 28 -7.843 10.068 1.716 212 2HA GLY 28 1HA GLY 28 -8.208 10.643 3.339 213 H HIS 29 H HIS 29 -6.200 9.351 3.759 214 HA HIS 29 HA HIS 29 -3.765 10.851 3.137 215 1HB HIS 29 2HB HIS 29 -3.357 9.900 5.709 216 2HB HIS 29 1HB HIS 29 -3.698 11.558 5.248 217 HD1 HIS 29 HD1 HIS 29 -6.647 11.557 4.737 218 HD2 HIS 29 HD2 HIS 29 -4.905 9.466 7.872 219 HE1 HIS 29 HE1 HIS 29 -8.478 11.241 6.431 220 HE2 HIS 29 HE2 HIS 29 -7.376 10.052 8.360 221 H LEU 30 H LEU 30 -1.985 9.657 2.767 222 HA LEU 30 HA LEU 30 -2.137 7.031 1.974 223 1HB LEU 30 2HB LEU 30 -0.159 9.014 2.177 224 2HB LEU 30 1HB LEU 30 0.486 7.609 3.003 225 HG LEU 30 HG LEU 30 -0.654 7.467 0.227 226 1HD1 LEU 30 2HD1 LEU 30 1.589 8.922 0.923 227 2HD1 LEU 30 1HD1 LEU 30 2.239 7.364 0.408 228 3HD1 LEU 30 3HD1 LEU 30 1.205 8.292 -0.679 229 1HD2 LEU 30 1HD2 LEU 30 0.350 5.568 2.121 230 2HD2 LEU 30 3HD2 LEU 30 -0.330 5.287 0.517 231 3HD2 LEU 30 2HD2 LEU 30 1.397 5.597 0.700 232 H ALA 31 H ALA 31 -1.821 5.067 2.895 233 HA ALA 31 HA ALA 31 -2.032 4.910 5.770 234 1HB ALA 31 1HB ALA 31 -2.740 3.250 3.585 235 2HB ALA 31 3HB ALA 31 -1.615 2.343 4.598 236 3HB ALA 31 2HB ALA 31 -3.090 3.013 5.299 237 H THR 32 H THR 32 -0.587 3.319 6.957 238 HA THR 32 HA THR 32 2.183 3.572 5.974 239 HB THR 32 HB THR 32 2.974 3.797 8.237 240 HG1 THR 32 HG1 THR 32 1.574 3.731 9.988 241 1HG2 THR 32 2HG2 THR 32 0.747 5.639 7.436 242 2HG2 THR 32 1HG2 THR 32 1.657 5.902 8.924 243 3HG2 THR 32 3HG2 THR 32 2.489 5.906 7.369 244 H TYR 33 H TYR 33 3.575 2.077 7.612 245 HA TYR 33 HA TYR 33 2.982 -0.587 6.822 246 1HB TYR 33 2HB TYR 33 5.273 -0.031 7.075 247 2HB TYR 33 1HB TYR 33 5.019 0.620 8.685 248 HD1 TYR 33 HD1 TYR 33 4.649 -2.626 6.850 249 HD2 TYR 33 HD2 TYR 33 5.683 -0.655 10.479 250 HE1 TYR 33 HE1 TYR 33 5.302 -4.781 7.829 251 HE2 TYR 33 HE2 TYR 33 6.339 -2.809 11.465 252 HH TYR 33 HH TYR 33 6.867 -4.986 10.955 253 H LYS 34 H LYS 34 3.497 0.619 10.106 254 HA LYS 34 HA LYS 34 2.370 -1.426 11.516 255 1HB LYS 34 2HB LYS 34 2.306 1.527 12.144 256 2HB LYS 34 1HB LYS 34 1.867 0.275 13.294 257 1HG LYS 34 2HG LYS 34 4.400 -0.415 12.276 258 2HG LYS 34 1HG LYS 34 4.444 1.307 12.656 259 1HD LYS 34 2HD LYS 34 4.579 0.857 14.827 260 2HD LYS 34 1HD LYS 34 3.084 -0.077 14.752 261 1HE LYS 34 2HE LYS 34 4.755 -1.537 15.581 262 2HE LYS 34 1HE LYS 34 4.456 -2.007 13.908 263 1HZ LYS 34 2HZ LYS 34 6.420 -0.577 13.328 264 2HZ LYS 34 1HZ LYS 34 6.760 -0.486 14.982 265 3HZ LYS 34 3HZ LYS 34 6.778 -1.985 14.194 266 H GLN 35 H GLN 35 0.697 1.329 10.046 267 HA GLN 35 HA GLN 35 -1.851 0.783 11.102 268 1HB GLN 35 2HB GLN 35 -0.999 2.201 8.577 269 2HB GLN 35 1HB GLN 35 -2.654 2.156 9.157 270 1HG GLN 35 2HG GLN 35 -1.984 3.288 11.205 271 2HG GLN 35 1HG GLN 35 -0.312 3.313 10.647 272 1HE2 GLN 35 1HE2 GLN 35 -1.499 5.635 11.344 273 2HE2 GLN 35 2HE2 GLN 35 -1.802 6.602 9.945 274 H LEU 36 H LEU 36 -0.333 -0.147 8.027 275 HA LEU 36 HA LEU 36 -2.492 -1.493 6.905 276 1HB LEU 36 2HB LEU 36 0.292 -1.213 6.378 277 2HB LEU 36 1HB LEU 36 -0.107 -2.915 6.269 278 HG LEU 36 HG LEU 36 -0.235 -1.726 4.095 279 1HD1 LEU 36 3HD1 LEU 36 -1.880 -3.652 5.074 280 2HD1 LEU 36 2HD1 LEU 36 -3.043 -2.439 4.536 281 3HD1 LEU 36 1HD1 LEU 36 -1.866 -3.097 3.399 282 1HD2 LEU 36 3HD2 LEU 36 -2.368 -0.182 5.540 283 2HD2 LEU 36 2HD2 LEU 36 -0.965 0.436 4.667 284 3HD2 LEU 36 1HD2 LEU 36 -2.305 -0.292 3.781 285 H GLU 37 H GLU 37 -0.262 -2.459 9.406 286 HA GLU 37 HA GLU 37 -0.811 -5.230 9.383 287 1HB GLU 37 2HB GLU 37 -0.188 -3.929 11.967 288 2HB GLU 37 1HB GLU 37 0.527 -5.350 11.220 289 1HG GLU 37 2HG GLU 37 1.155 -3.158 9.604 290 2HG GLU 37 1HG GLU 37 1.477 -2.675 11.267 291 H ALA 38 H ALA 38 -1.850 -2.715 11.618 292 HA ALA 38 HA ALA 38 -3.748 -4.153 13.021 293 1HB ALA 38 1HB ALA 38 -2.838 -1.556 13.050 294 2HB ALA 38 2HB ALA 38 -4.087 -2.226 14.100 295 3HB ALA 38 3HB ALA 38 -4.539 -1.380 12.619 296 H ALA 39 H ALA 39 -3.849 -3.055 9.799 297 HA ALA 39 HA ALA 39 -6.766 -3.219 9.636 298 1HB ALA 39 3HB ALA 39 -4.846 -2.682 7.377 299 2HB ALA 39 2HB ALA 39 -6.572 -2.326 7.443 300 3HB ALA 39 1HB ALA 39 -5.446 -1.416 8.450 301 H ARG 40 H ARG 40 -3.869 -4.921 8.818 302 HA ARG 40 HA ARG 40 -5.041 -6.846 7.074 303 1HB ARG 40 2HB ARG 40 -2.698 -6.453 6.891 304 2HB ARG 40 1HB ARG 40 -2.459 -6.693 8.617 305 1HG ARG 40 2HG ARG 40 -3.611 -9.056 7.522 306 2HG ARG 40 1HG ARG 40 -2.232 -8.583 6.529 307 1HD ARG 40 2HD ARG 40 -1.091 -8.249 8.882 308 2HD ARG 40 1HD ARG 40 -2.328 -9.398 9.389 309 HE ARG 40 HE ARG 40 -0.913 -10.276 7.067 310 1HH1 ARG 40 1HH1 ARG 40 -0.778 -10.070 10.540 311 2HH1 ARG 40 2HH1 ARG 40 0.289 -11.425 10.709 312 1HH2 ARG 40 2HH2 ARG 40 0.493 -12.060 7.277 313 2HH2 ARG 40 1HH2 ARG 40 1.012 -12.555 8.854 314 H LYS 41 H LYS 41 -4.480 -6.555 10.509 315 HA LYS 41 HA LYS 41 -4.991 -9.260 11.165 316 1HB LYS 41 2HB LYS 41 -5.374 -6.897 12.993 317 2HB LYS 41 1HB LYS 41 -5.004 -8.555 13.444 318 1HG LYS 41 2HG LYS 41 -2.856 -8.137 12.002 319 2HG LYS 41 1HG LYS 41 -3.224 -6.446 12.340 320 1HD LYS 41 2HD LYS 41 -3.472 -7.990 14.743 321 2HD LYS 41 1HD LYS 41 -1.898 -8.286 14.001 322 1HE LYS 41 2HE LYS 41 -1.339 -6.433 15.172 323 2HE LYS 41 1HE LYS 41 -1.995 -5.627 13.748 324 1HZ LYS 41 1HZ LYS 41 -4.188 -5.665 15.002 325 2HZ LYS 41 3HZ LYS 41 -3.277 -6.028 16.380 326 3HZ LYS 41 2HZ LYS 41 -3.011 -4.580 15.546 327 H ILE 42 H ILE 42 -7.035 -6.668 10.295 328 HA ILE 42 HA ILE 42 -9.372 -7.762 11.633 329 HB ILE 42 HB ILE 42 -10.556 -5.867 10.878 330 1HG1 ILE 42 2HG1 ILE 42 -8.504 -4.651 9.188 331 2HG1 ILE 42 1HG1 ILE 42 -9.098 -6.178 8.548 332 1HG2 ILE 42 2HG2 ILE 42 -7.707 -5.188 11.553 333 2HG2 ILE 42 1HG2 ILE 42 -8.958 -3.956 11.391 334 3HG2 ILE 42 3HG2 ILE 42 -9.112 -5.212 12.619 335 1HD1 ILE 42 2HD1 ILE 42 -11.403 -4.873 9.276 336 2HD1 ILE 42 1HD1 ILE 42 -10.379 -3.580 8.654 337 3HD1 ILE 42 3HD1 ILE 42 -10.736 -4.982 7.646 338 H GLY 43 H GLY 43 -7.682 -8.266 8.774 339 1HA GLY 43 1HA GLY 43 -10.082 -9.400 7.474 340 2HA GLY 43 2HA GLY 43 -8.532 -10.234 7.505 341 H PHE 44 H PHE 44 -7.402 -7.326 7.177 342 HA PHE 44 HA PHE 44 -8.120 -6.742 4.437 343 1HB PHE 44 2HB PHE 44 -7.516 -5.017 6.229 344 2HB PHE 44 1HB PHE 44 -5.843 -5.501 5.975 345 HD1 PHE 44 HD1 PHE 44 -7.785 -5.726 3.005 346 HD2 PHE 44 HD2 PHE 44 -5.629 -3.003 5.466 347 HE1 PHE 44 HE1 PHE 44 -7.620 -4.157 1.117 348 HE2 PHE 44 HE2 PHE 44 -5.462 -1.428 3.583 349 HZ PHE 44 HZ PHE 44 -6.457 -2.005 1.406 350 H HIS 45 H HIS 45 -7.162 -7.522 2.684 351 HA HIS 45 HA HIS 45 -4.367 -8.336 2.768 352 1HB HIS 45 2HB HIS 45 -5.629 -10.367 3.383 353 2HB HIS 45 1HB HIS 45 -6.565 -10.226 1.901 354 HD1 HIS 45 HD1 HIS 45 -4.520 -12.575 2.847 355 HD2 HIS 45 HD2 HIS 45 -3.930 -9.704 -0.099 356 HE1 HIS 45 HE1 HIS 45 -2.793 -13.545 1.299 357 HE2 HIS 45 HE2 HIS 45 -2.515 -11.828 -0.523 358 H VAL 46 H VAL 46 -3.362 -7.658 0.990 359 HA VAL 46 HA VAL 46 -4.790 -7.587 -1.550 360 HB VAL 46 HB VAL 46 -3.284 -5.181 -1.469 361 1HG1 VAL 46 3HG1 VAL 46 -5.883 -6.146 -2.206 362 2HG1 VAL 46 2HG1 VAL 46 -6.019 -4.577 -1.410 363 3HG1 VAL 46 1HG1 VAL 46 -4.986 -4.760 -2.828 364 1HG2 VAL 46 2HG2 VAL 46 -3.543 -5.286 0.983 365 2HG2 VAL 46 1HG2 VAL 46 -4.391 -3.913 0.268 366 3HG2 VAL 46 3HG2 VAL 46 -5.294 -5.344 0.774 367 H CYS 47 H CYS 47 -3.491 -9.011 -2.568 368 HA CYS 47 HA CYS 47 -0.659 -9.071 -2.241 369 1HB CYS 47 2HB CYS 47 -2.284 -10.970 -2.981 370 2HB CYS 47 1HB CYS 47 -2.065 -10.294 -4.592 371 H ALA 48 H ALA 48 -0.196 -6.824 -2.682 372 HA ALA 48 HA ALA 48 0.888 -6.395 -5.221 373 1HB ALA 48 3HB ALA 48 -1.556 -6.203 -5.799 374 2HB ALA 48 1HB ALA 48 -0.560 -4.816 -6.238 375 3HB ALA 48 2HB ALA 48 -1.594 -4.742 -4.811 376 H ALA 49 H ALA 49 2.597 -5.220 -4.681 377 HA ALA 49 HA ALA 49 3.179 -3.938 -2.393 378 1HB ALA 49 1HB ALA 49 5.047 -3.462 -3.490 379 2HB ALA 49 3HB ALA 49 4.268 -3.977 -4.987 380 3HB ALA 49 2HB ALA 49 4.199 -2.284 -4.492 381 H GLY 50 H GLY 50 2.197 -2.416 -1.245 382 1HA GLY 50 2HA GLY 50 0.228 -0.943 -1.142 383 2HA GLY 50 1HA GLY 50 0.724 -0.310 -2.704 384 H TRP 51 H TRP 51 1.513 1.662 -2.559 385 HA TRP 51 HA TRP 51 3.755 2.394 -1.114 386 1HB TRP 51 2HB TRP 51 1.535 3.985 -2.359 387 2HB TRP 51 1HB TRP 51 2.816 4.792 -1.456 388 HD1 TRP 51 HD1 TRP 51 2.041 3.356 -4.807 389 HE1 TRP 51 HE1 TRP 51 4.129 3.476 -6.316 390 HE3 TRP 51 HE3 TRP 51 5.523 4.583 -1.277 391 HZ2 TRP 51 HZ2 TRP 51 6.889 4.030 -6.041 392 HZ3 TRP 51 HZ3 TRP 51 7.861 4.893 -1.974 393 HH2 TRP 51 HH2 TRP 51 8.528 4.620 -4.308 394 H MET 52 H MET 52 4.124 3.540 0.759 395 HA MET 52 HA MET 52 2.028 4.400 2.494 396 1HB MET 52 2HB MET 52 3.178 2.681 4.284 397 2HB MET 52 1HB MET 52 1.643 2.409 3.474 398 1HG MET 52 2HG MET 52 2.450 0.739 2.227 399 2HG MET 52 1HG MET 52 3.988 1.552 1.948 400 1HE MET 52 1HE MET 52 1.921 -0.807 4.246 401 2HE MET 52 3HE MET 52 2.819 -1.610 2.957 402 3HE MET 52 2HE MET 52 3.235 -1.915 4.643 403 H ALA 53 H ALA 53 3.099 4.804 4.801 404 HA ALA 53 HA ALA 53 4.530 6.178 5.925 405 1HB ALA 53 3HB ALA 53 6.878 5.039 4.534 406 2HB ALA 53 1HB ALA 53 5.820 3.914 5.386 407 3HB ALA 53 2HB ALA 53 6.569 5.251 6.258 408 H LYS 54 H LYS 54 6.963 7.289 5.325 409 HA LYS 54 HA LYS 54 6.204 9.505 3.728 410 1HB LYS 54 2HB LYS 54 8.290 8.856 5.545 411 2HB LYS 54 1HB LYS 54 9.038 9.424 4.062 412 1HG LYS 54 2HG LYS 54 6.783 11.004 5.167 413 2HG LYS 54 1HG LYS 54 8.333 11.070 6.004 414 1HD LYS 54 2HD LYS 54 8.502 11.355 3.087 415 2HD LYS 54 1HD LYS 54 7.638 12.657 3.908 416 1HE LYS 54 2HE LYS 54 10.373 11.676 4.705 417 2HE LYS 54 1HE LYS 54 10.090 13.049 3.634 418 1HZ LYS 54 1HZ LYS 54 8.622 13.197 6.102 419 2HZ LYS 54 3HZ LYS 54 10.300 13.183 6.325 420 3HZ LYS 54 2HZ LYS 54 9.587 14.363 5.346 421 H GLY 55 H GLY 55 6.912 6.528 2.677 422 1HA GLY 55 1HA GLY 55 8.678 7.286 0.483 423 2HA GLY 55 2HA GLY 55 7.024 6.871 0.044 424 H ARG 56 H ARG 56 7.267 4.987 2.539 425 HA ARG 56 HA ARG 56 8.971 2.910 1.410 426 1HB ARG 56 2HB ARG 56 7.816 3.502 4.044 427 2HB ARG 56 1HB ARG 56 7.789 1.797 3.618 428 1HG ARG 56 2HG ARG 56 10.165 1.773 3.307 429 2HG ARG 56 1HG ARG 56 10.252 3.522 3.526 430 1HD ARG 56 2HD ARG 56 9.065 2.910 5.819 431 2HD ARG 56 1HD ARG 56 9.870 1.367 5.534 432 HE ARG 56 HE ARG 56 11.963 2.775 5.326 433 1HH1 ARG 56 1HH1 ARG 56 9.242 3.712 7.288 434 2HH1 ARG 56 2HH1 ARG 56 10.196 4.642 8.395 435 1HH2 ARG 56 2HH2 ARG 56 13.228 3.998 6.779 436 2HH2 ARG 56 1HH2 ARG 56 12.461 4.805 8.105 437 H VAL 57 H VAL 57 8.236 1.271 0.221 438 HA VAL 57 HA VAL 57 5.329 0.769 0.199 439 HB VAL 57 HB VAL 57 5.513 1.373 -1.967 440 1HG1 VAL 57 1HG1 VAL 57 8.426 0.880 -1.577 441 2HG1 VAL 57 3HG1 VAL 57 7.785 0.999 -3.216 442 3HG1 VAL 57 2HG1 VAL 57 7.588 2.344 -2.091 443 1HG2 VAL 57 3HG2 VAL 57 5.354 -1.238 -1.801 444 2HG2 VAL 57 2HG2 VAL 57 5.548 -0.448 -3.366 445 3HG2 VAL 57 1HG2 VAL 57 6.942 -1.174 -2.567 446 H GLY 58 H GLY 58 4.693 -1.187 0.835 447 1HA GLY 58 2HA GLY 58 5.850 -3.121 2.106 448 2HA GLY 58 1HA GLY 58 6.544 -3.454 0.527 449 H TYR 59 H TYR 59 5.246 -5.495 1.530 450 HA TYR 59 HA TYR 59 2.503 -5.414 0.479 451 1HB TYR 59 2HB TYR 59 3.704 -7.975 -0.069 452 2HB TYR 59 1HB TYR 59 2.935 -6.848 -1.185 453 HD1 TYR 59 HD1 TYR 59 4.371 -4.899 -2.057 454 HD2 TYR 59 HD2 TYR 59 6.006 -8.351 -0.182 455 HE1 TYR 59 HE1 TYR 59 6.552 -4.416 -3.084 456 HE2 TYR 59 HE2 TYR 59 8.190 -7.877 -1.204 457 HH TYR 59 HH TYR 59 9.267 -6.644 -2.764 458 HA PRO 60 HA PRO 60 2.115 -7.144 4.656 459 1HB PRO 60 2HB PRO 60 -0.740 -7.045 3.885 460 2HB PRO 60 1HB PRO 60 0.064 -6.377 5.306 461 1HG PRO 60 2HG PRO 60 -0.798 -4.808 3.312 462 2HG PRO 60 1HG PRO 60 0.683 -4.443 4.215 463 1HD PRO 60 1HD PRO 60 0.361 -5.598 1.482 464 2HD PRO 60 2HD PRO 60 1.591 -4.476 2.098 465 H ILE 61 H ILE 61 -0.783 -8.254 3.094 466 HA ILE 61 HA ILE 61 -1.478 -10.293 2.335 467 HB ILE 61 HB ILE 61 1.383 -11.233 2.531 468 1HG1 ILE 61 2HG1 ILE 61 1.250 -9.231 1.115 469 2HG1 ILE 61 1HG1 ILE 61 1.578 -10.667 0.149 470 1HG2 ILE 61 2HG2 ILE 61 -0.543 -12.889 2.307 471 2HG2 ILE 61 1HG2 ILE 61 -0.764 -12.231 0.686 472 3HG2 ILE 61 3HG2 ILE 61 0.760 -13.002 1.123 473 1HD1 ILE 61 1HD1 ILE 61 -1.120 -10.578 0.032 474 2HD1 ILE 61 3HD1 ILE 61 -0.725 -8.863 0.125 475 3HD1 ILE 61 2HD1 ILE 61 -0.039 -9.857 -1.160 476 H VAL 62 H VAL 62 -2.708 -11.146 3.881 477 HA VAL 62 HA VAL 62 -1.615 -11.934 6.430 478 HB VAL 62 HB VAL 62 -4.345 -12.822 5.817 479 1HG1 VAL 62 3HG1 VAL 62 -2.810 -11.628 8.022 480 2HG1 VAL 62 2HG1 VAL 62 -4.506 -11.151 7.939 481 3HG1 VAL 62 1HG1 VAL 62 -4.075 -12.857 8.051 482 1HG2 VAL 62 2HG2 VAL 62 -3.640 -9.895 5.685 483 2HG2 VAL 62 1HG2 VAL 62 -4.399 -10.870 4.427 484 3HG2 VAL 62 3HG2 VAL 62 -5.274 -10.516 5.916 485 H LYS 63 H LYS 63 -2.861 -13.525 3.543 486 HA LYS 63 HA LYS 63 -2.046 -16.120 4.675 487 1HB LYS 63 2HB LYS 63 -4.347 -15.285 3.031 488 2HB LYS 63 1HB LYS 63 -3.581 -16.786 2.532 489 1HG LYS 63 2HG LYS 63 -3.846 -16.960 5.312 490 2HG LYS 63 1HG LYS 63 -5.369 -16.294 4.716 491 1HD LYS 63 2HD LYS 63 -5.276 -18.170 2.968 492 2HD LYS 63 1HD LYS 63 -4.049 -18.896 4.006 493 1HE LYS 63 2HE LYS 63 -6.570 -18.019 5.291 494 2HE LYS 63 1HE LYS 63 -6.651 -19.435 4.245 495 1HZ LYS 63 3HZ LYS 63 -4.736 -20.327 5.579 496 2HZ LYS 63 2HZ LYS 63 -5.002 -19.070 6.678 497 3HZ LYS 63 1HZ LYS 63 -6.210 -20.221 6.402 498 HA PRO 64 HA PRO 64 1.219 -15.389 1.561 499 1HB PRO 64 2HB PRO 64 2.238 -17.852 2.852 500 2HB PRO 64 1HB PRO 64 3.058 -16.319 2.549 501 1HG PRO 64 2HG PRO 64 2.278 -17.025 5.011 502 2HG PRO 64 1HG PRO 64 2.226 -15.341 4.465 503 1HD PRO 64 2HD PRO 64 -0.001 -17.301 4.787 504 2HD PRO 64 1HD PRO 64 0.017 -15.549 5.081 505 H GLY 65 H GLY 65 1.432 -16.272 -0.427 506 1HA GLY 65 2HA GLY 65 0.134 -17.533 -2.075 507 2HA GLY 65 1HA GLY 65 0.049 -18.840 -0.902 508 HA PRO 66 HA PRO 66 3.603 -20.293 -3.195 509 1HB PRO 66 2HB PRO 66 3.031 -20.584 -5.776 510 2HB PRO 66 1HB PRO 66 2.098 -21.440 -4.549 511 1HG PRO 66 2HG PRO 66 1.388 -18.992 -6.098 512 2HG PRO 66 1HG PRO 66 0.359 -20.349 -5.618 513 1HD PRO 66 1HD PRO 66 0.526 -17.903 -4.308 514 2HD PRO 66 2HD PRO 66 -0.141 -19.393 -3.630 515 H ASN 67 H ASN 67 2.466 -18.058 -5.694 516 HA ASN 67 HA ASN 67 5.185 -16.957 -5.889 517 1HB ASN 67 2HB ASN 67 4.005 -15.974 -8.083 518 2HB ASN 67 1HB ASN 67 4.748 -17.569 -8.044 519 1HD2 ASN 67 1HD2 ASN 67 3.236 -19.349 -7.337 520 2HD2 ASN 67 2HD2 ASN 67 1.637 -19.306 -7.987 521 H CYS 68 H CYS 68 1.936 -16.197 -5.054 522 HA CYS 68 HA CYS 68 1.960 -13.410 -5.444 523 1HB CYS 68 2HB CYS 68 0.115 -15.262 -4.565 524 2HB CYS 68 1HB CYS 68 0.425 -14.307 -3.120 525 H GLY 69 H GLY 69 1.839 -14.832 -2.209 526 1HA GLY 69 1HA GLY 69 2.716 -14.023 -0.227 527 2HA GLY 69 2HA GLY 69 3.298 -12.616 -1.107 528 H PHE 70 H PHE 70 4.279 -15.374 -2.691 529 HA PHE 70 HA PHE 70 6.280 -16.417 -2.958 530 1HB PHE 70 2HB PHE 70 6.877 -13.716 -2.414 531 2HB PHE 70 1HB PHE 70 8.011 -14.669 -1.463 532 HD1 PHE 70 HD1 PHE 70 8.991 -16.761 -2.866 533 HD2 PHE 70 HD2 PHE 70 7.586 -13.088 -4.492 534 HE1 PHE 70 HE1 PHE 70 10.370 -17.126 -4.870 535 HE2 PHE 70 HE2 PHE 70 8.962 -13.446 -6.501 536 HZ PHE 70 HZ PHE 70 10.356 -15.468 -6.692 537 H GLY 71 H GLY 71 4.637 -16.889 -0.550 538 1HA GLY 71 1HA GLY 71 6.427 -18.630 0.804 539 2HA GLY 71 2HA GLY 71 4.770 -18.277 1.281 540 H LYS 72 H LYS 72 5.842 -15.313 1.145 541 HA LYS 72 HA LYS 72 7.518 -15.205 3.490 542 1HB LYS 72 2HB LYS 72 6.176 -12.955 1.980 543 2HB LYS 72 1HB LYS 72 7.452 -12.786 3.179 544 1HG LYS 72 2HG LYS 72 9.005 -13.964 1.733 545 2HG LYS 72 1HG LYS 72 7.727 -14.214 0.541 546 1HD LYS 72 2HD LYS 72 7.886 -12.115 -0.253 547 2HD LYS 72 1HD LYS 72 8.110 -11.421 1.354 548 1HE LYS 72 2HE LYS 72 10.090 -11.082 -0.024 549 2HE LYS 72 1HE LYS 72 10.445 -12.136 1.344 550 1HZ LYS 72 1HZ LYS 72 9.812 -13.949 -0.467 551 2HZ LYS 72 3HZ LYS 72 10.393 -12.744 -1.504 552 3HZ LYS 72 2HZ LYS 72 11.388 -13.361 -0.284 553 H THR 73 H THR 73 6.940 -13.928 5.394 554 HA THR 73 HA THR 73 4.056 -14.031 5.978 555 HB THR 73 HB THR 73 5.193 -14.288 8.441 556 HG1 THR 73 HG1 THR 73 7.037 -15.341 8.314 557 1HG2 THR 73 1HG2 THR 73 3.302 -15.574 7.516 558 2HG2 THR 73 3HG2 THR 73 4.443 -16.555 6.594 559 3HG2 THR 73 2HG2 THR 73 4.461 -16.605 8.357 560 H GLY 74 H GLY 74 3.173 -12.215 6.743 561 1HA GLY 74 2HA GLY 74 4.781 -10.265 8.178 562 2HA GLY 74 1HA GLY 74 3.042 -10.202 7.924 563 H ILE 75 H ILE 75 3.934 -7.863 7.563 564 HA ILE 75 HA ILE 75 3.646 -7.325 4.793 565 HB ILE 75 HB ILE 75 4.644 -5.379 6.869 566 1HG1 ILE 75 1HG1 ILE 75 1.928 -6.513 6.360 567 2HG1 ILE 75 2HG1 ILE 75 2.683 -6.061 7.883 568 1HG2 ILE 75 1HG2 ILE 75 4.397 -5.092 4.166 569 2HG2 ILE 75 3HG2 ILE 75 2.848 -4.479 4.746 570 3HG2 ILE 75 2HG2 ILE 75 4.353 -3.775 5.339 571 1HD1 ILE 75 1HD1 ILE 75 2.465 -3.647 6.729 572 2HD1 ILE 75 3HD1 ILE 75 1.074 -4.467 6.021 573 3HD1 ILE 75 2HD1 ILE 75 1.235 -4.358 7.776 574 H ILE 76 H ILE 76 5.140 -7.685 3.339 575 HA ILE 76 HA ILE 76 7.957 -7.676 4.026 576 HB ILE 76 HB ILE 76 6.683 -8.193 1.339 577 1HG1 ILE 76 2HG1 ILE 76 5.772 -9.892 2.646 578 2HG1 ILE 76 1HG1 ILE 76 7.250 -10.637 2.045 579 1HG2 ILE 76 2HG2 ILE 76 9.341 -7.797 2.033 580 2HG2 ILE 76 1HG2 ILE 76 9.170 -9.548 1.903 581 3HG2 ILE 76 3HG2 ILE 76 8.730 -8.517 0.542 582 1HD1 ILE 76 3HD1 ILE 76 8.346 -9.991 4.189 583 2HD1 ILE 76 2HD1 ILE 76 6.761 -9.483 4.772 584 3HD1 ILE 76 1HD1 ILE 76 7.045 -11.171 4.343 585 H ASP 77 H ASP 77 8.364 -5.478 4.415 586 HA ASP 77 HA ASP 77 8.184 -3.729 2.051 587 1HB ASP 77 2HB ASP 77 6.995 -3.158 4.318 588 2HB ASP 77 1HB ASP 77 8.609 -2.666 4.820 589 H TYR 78 H TYR 78 10.064 -3.572 1.029 590 HA TYR 78 HA TYR 78 12.564 -4.103 2.335 591 1HB TYR 78 2HB TYR 78 11.952 -3.143 -0.467 592 2HB TYR 78 1HB TYR 78 13.529 -3.668 0.104 593 HD1 TYR 78 HD1 TYR 78 10.022 -4.965 0.068 594 HD2 TYR 78 HD2 TYR 78 14.158 -5.809 -0.467 595 HE1 TYR 78 HE1 TYR 78 9.463 -7.278 -0.543 596 HE2 TYR 78 HE2 TYR 78 13.611 -8.127 -1.081 597 HH TYR 78 HH TYR 78 10.780 -9.152 -2.058 598 H GLY 79 H GLY 79 10.657 -1.511 2.514 599 1HA GLY 79 2HA GLY 79 12.816 0.238 3.262 600 2HA GLY 79 1HA GLY 79 11.095 0.612 3.327 601 H ILE 80 H ILE 80 12.075 2.725 2.512 602 HA ILE 80 HA ILE 80 11.285 3.254 -0.050 603 HB ILE 80 HB ILE 80 13.571 4.689 1.281 604 1HG1 ILE 80 2HG1 ILE 80 10.600 4.921 1.760 605 2HG1 ILE 80 1HG1 ILE 80 11.826 4.435 2.919 606 1HG2 ILE 80 2HG2 ILE 80 12.879 5.207 -1.117 607 2HG2 ILE 80 1HG2 ILE 80 11.389 5.848 -0.427 608 3HG2 ILE 80 3HG2 ILE 80 12.941 6.562 0.009 609 1HD1 ILE 80 2HD1 ILE 80 12.131 7.102 1.685 610 2HD1 ILE 80 1HD1 ILE 80 10.821 6.884 2.846 611 3HD1 ILE 80 3HD1 ILE 80 12.486 6.559 3.325 612 H ARG 81 H ARG 81 12.209 3.345 -2.038 613 HA ARG 81 HA ARG 81 14.773 1.929 -2.331 614 1HB ARG 81 2HB ARG 81 12.555 2.276 -4.355 615 2HB ARG 81 1HB ARG 81 14.032 1.353 -4.593 616 1HG ARG 81 2HG ARG 81 12.411 0.603 -2.251 617 2HG ARG 81 1HG ARG 81 11.698 0.271 -3.830 618 1HD ARG 81 2HD ARG 81 14.527 -0.483 -3.540 619 2HD ARG 81 1HD ARG 81 13.397 -1.397 -2.543 620 HE ARG 81 HE ARG 81 13.439 -1.302 -5.474 621 1HH1 ARG 81 1HH1 ARG 81 12.188 -2.637 -2.509 622 2HH1 ARG 81 2HH1 ARG 81 11.421 -3.981 -3.286 623 1HH2 ARG 81 2HH2 ARG 81 12.432 -3.068 -6.507 624 2HH2 ARG 81 1HH2 ARG 81 11.559 -4.226 -5.560 625 H LEU 82 H LEU 82 14.056 4.911 -1.960 626 HA LEU 82 HA LEU 82 14.792 6.934 -2.700 627 1HB LEU 82 2HB LEU 82 16.929 5.244 -2.620 628 2HB LEU 82 1HB LEU 82 17.011 5.816 -4.271 629 HG LEU 82 HG LEU 82 18.426 7.205 -2.942 630 1HD1 LEU 82 1HD1 LEU 82 16.009 8.278 -4.155 631 2HD1 LEU 82 3HD1 LEU 82 16.716 9.355 -2.950 632 3HD1 LEU 82 2HD1 LEU 82 17.686 8.800 -4.314 633 1HD2 LEU 82 2HD2 LEU 82 16.084 7.280 -1.086 634 2HD2 LEU 82 1HD2 LEU 82 17.780 6.940 -0.740 635 3HD2 LEU 82 3HD2 LEU 82 17.264 8.590 -1.084 636 H ASN 83 H ASN 83 12.859 5.620 -4.347 637 HA ASN 83 HA ASN 83 13.038 7.246 -6.667 638 1HB ASN 83 2HB ASN 83 14.596 5.353 -7.263 639 2HB ASN 83 1HB ASN 83 13.205 4.274 -7.192 640 1HD2 ASN 83 1HD2 ASN 83 13.518 7.564 -8.453 641 2HD2 ASN 83 2HD2 ASN 83 13.032 7.179 -10.066 642 H ARG 84 H ARG 84 11.010 7.877 -5.825 643 HA ARG 84 HA ARG 84 8.871 6.046 -5.433 644 1HB ARG 84 2HB ARG 84 8.297 8.893 -6.065 645 2HB ARG 84 1HB ARG 84 7.630 7.865 -4.806 646 1HG ARG 84 2HG ARG 84 8.950 8.873 -3.353 647 2HG ARG 84 1HG ARG 84 10.341 8.170 -4.181 648 1HD ARG 84 2HD ARG 84 10.535 10.087 -5.609 649 2HD ARG 84 1HD ARG 84 9.030 10.761 -4.984 650 HE ARG 84 HE ARG 84 10.298 10.838 -2.778 651 1HH1 ARG 84 1HH1 ARG 84 11.813 11.168 -5.897 652 2HH1 ARG 84 2HH1 ARG 84 13.121 12.137 -5.304 653 1HH2 ARG 84 2HH2 ARG 84 12.017 12.115 -1.987 654 2HH2 ARG 84 1HH2 ARG 84 13.238 12.675 -3.083 655 H SER 85 H SER 85 10.384 6.903 -8.201 656 HA SER 85 HA SER 85 8.128 7.303 -9.927 657 1HB SER 85 2HB SER 85 9.662 7.587 -11.634 658 2HB SER 85 1HB SER 85 10.660 7.988 -10.236 659 HG SER 85 HG SER 85 11.006 5.493 -10.383 660 H GLU 86 H GLU 86 8.586 4.767 -8.203 661 HA GLU 86 HA GLU 86 8.775 2.634 -10.102 662 1HB GLU 86 2HB GLU 86 8.134 2.836 -7.183 663 2HB GLU 86 1HB GLU 86 7.815 1.336 -8.041 664 1HG GLU 86 2HG GLU 86 10.485 2.466 -8.478 665 2HG GLU 86 1HG GLU 86 10.150 1.949 -6.827 666 H ARG 87 H ARG 87 6.827 0.876 -9.597 667 HA ARG 87 HA ARG 87 4.277 2.252 -10.019 668 1HB ARG 87 2HB ARG 87 3.784 0.524 -11.826 669 2HB ARG 87 1HB ARG 87 4.862 1.846 -12.252 670 1HG ARG 87 2HG ARG 87 6.328 0.343 -12.948 671 2HG ARG 87 1HG ARG 87 6.517 -0.177 -11.273 672 1HD ARG 87 2HD ARG 87 4.558 -1.700 -11.621 673 2HD ARG 87 1HD ARG 87 4.621 -1.286 -13.334 674 HE ARG 87 HE ARG 87 7.105 -2.263 -12.237 675 1HH1 ARG 87 2HH1 ARG 87 4.097 -3.094 -13.782 676 2HH1 ARG 87 1HH1 ARG 87 4.688 -4.593 -14.418 677 1HH2 ARG 87 2HH2 ARG 87 7.894 -4.235 -13.068 678 2HH2 ARG 87 1HH2 ARG 87 6.847 -5.242 -14.011 679 H TRP 88 H TRP 88 2.978 1.540 -8.503 680 HA TRP 88 HA TRP 88 2.595 -1.308 -8.118 681 1HB TRP 88 2HB TRP 88 3.065 0.360 -5.658 682 2HB TRP 88 1HB TRP 88 3.044 -1.393 -5.810 683 HD1 TRP 88 HD1 TRP 88 5.356 1.530 -5.797 684 HE1 TRP 88 HE1 TRP 88 7.767 0.744 -6.244 685 HE3 TRP 88 HE3 TRP 88 4.387 -3.265 -7.287 686 HZ2 TRP 88 HZ2 TRP 88 9.083 -1.598 -7.111 687 HZ3 TRP 88 HZ3 TRP 88 6.278 -4.713 -7.906 688 HH2 TRP 88 HH2 TRP 88 8.577 -3.895 -7.820 689 H ASP 89 H ASP 89 1.342 -0.394 -5.437 690 HA ASP 89 HA ASP 89 -1.146 0.659 -6.608 691 1HB ASP 89 2HB ASP 89 -0.950 -1.042 -4.119 692 2HB ASP 89 1HB ASP 89 -2.400 -0.625 -5.028 693 H ALA 90 H ALA 90 -2.488 1.188 -4.229 694 HA ALA 90 HA ALA 90 -0.780 2.980 -2.688 695 1HB ALA 90 2HB ALA 90 -1.452 4.421 -4.472 696 2HB ALA 90 3HB ALA 90 -2.354 4.880 -3.027 697 3HB ALA 90 1HB ALA 90 -3.140 3.939 -4.295 698 H TYR 91 H TYR 91 -1.302 2.888 -0.598 699 HA TYR 91 HA TYR 91 -3.847 1.662 0.164 700 1HB TYR 91 2HB TYR 91 -1.205 2.038 1.540 701 2HB TYR 91 1HB TYR 91 -2.653 1.720 2.482 702 HD1 TYR 91 HD1 TYR 91 -4.093 -0.350 1.491 703 HD2 TYR 91 HD2 TYR 91 0.092 0.231 1.005 704 HE1 TYR 91 HE1 TYR 91 -3.813 -2.758 1.090 705 HE2 TYR 91 HE2 TYR 91 0.386 -2.175 0.600 706 HH TYR 91 HH TYR 91 -2.114 -4.238 -0.119 707 H CYS 92 H CYS 92 -5.438 3.117 0.399 708 HA CYS 92 HA CYS 92 -4.874 5.803 1.331 709 1HB CYS 92 2HB CYS 92 -6.608 5.073 -0.475 710 2HB CYS 92 1HB CYS 92 -7.637 4.702 0.904 711 H TYR 93 H TYR 93 -5.928 6.757 3.167 712 HA TYR 93 HA TYR 93 -7.005 4.919 5.156 713 1HB TYR 93 2HB TYR 93 -4.564 5.021 5.570 714 2HB TYR 93 1HB TYR 93 -4.686 6.770 5.749 715 HD1 TYR 93 HD1 TYR 93 -6.307 7.629 7.585 716 HD2 TYR 93 HD2 TYR 93 -4.795 3.654 7.432 717 HE1 TYR 93 HE1 TYR 93 -6.821 7.355 9.972 718 HE2 TYR 93 HE2 TYR 93 -5.308 3.366 9.824 719 HH TYR 93 HH TYR 93 -7.315 4.993 11.487 720 H ASN 94 H ASN 94 -8.769 5.761 6.007 721 HA ASN 94 HA ASN 94 -8.932 8.652 6.437 722 1HB ASN 94 2HB ASN 94 -11.059 7.004 5.052 723 2HB ASN 94 1HB ASN 94 -11.249 8.679 5.556 724 1HD2 ASN 94 2HD2 ASN 94 -11.054 10.051 3.960 725 2HD2 ASN 94 1HD2 ASN 94 -10.024 9.886 2.583 726 HA PRO 95 HA PRO 95 -10.312 7.578 10.482 727 1HB PRO 95 2HB PRO 95 -12.304 9.757 10.051 728 2HB PRO 95 1HB PRO 95 -11.187 9.502 11.398 729 1HG PRO 95 2HG PRO 95 -10.693 11.352 9.540 730 2HG PRO 95 1HG PRO 95 -9.384 10.387 10.245 731 1HD PRO 95 2HD PRO 95 -10.649 10.192 7.559 732 2HD PRO 95 1HD PRO 95 -8.977 9.856 8.049 733 H HIS 96 H HIS 96 -12.649 8.120 7.908 734 HA HIS 96 HA HIS 96 -14.388 6.074 9.123 735 1HB HIS 96 2HB HIS 96 -15.477 8.266 9.131 736 2HB HIS 96 1HB HIS 96 -15.193 8.430 7.401 737 HD1 HIS 96 HD1 HIS 96 -17.199 6.350 9.839 738 HD2 HIS 96 HD2 HIS 96 -17.108 7.304 5.796 739 HE1 HIS 96 HE1 HIS 96 -19.312 5.387 8.874 740 HE2 HIS 96 HE2 HIS 96 -19.197 5.909 6.411 741 H ALA 97 H ALA 97 -12.901 7.334 6.219 742 HA ALA 97 HA ALA 97 -12.958 6.571 4.028 743 1HB ALA 97 1HB ALA 97 -12.043 4.062 4.181 744 2HB ALA 97 2HB ALA 97 -11.752 4.573 5.843 745 3HB ALA 97 3HB ALA 97 -11.035 5.474 4.506 746 H LYS 98 H LYS 98 -15.339 6.670 3.872 747 HA LYS 98 HA LYS 98 -16.975 4.416 4.312 748 1HB LYS 98 2HB LYS 98 -17.746 6.796 3.993 749 2HB LYS 98 1HB LYS 98 -17.444 6.594 2.273 750 1HG LYS 98 2HG LYS 98 -19.001 4.449 2.727 751 2HG LYS 98 1HG LYS 98 -19.628 5.556 3.949 752 1HD LYS 98 2HD LYS 98 -20.700 6.756 2.411 753 2HD LYS 98 1HD LYS 98 -19.235 6.919 1.440 754 1HE LYS 98 2HE LYS 98 -19.687 5.003 0.205 755 2HE LYS 98 1HE LYS 98 -20.792 4.363 1.422 756 1HZ LYS 98 2HZ LYS 98 -21.957 6.695 0.676 757 2HZ LYS 98 1HZ LYS 98 -21.322 6.123 -0.782 758 3HZ LYS 98 3HZ LYS 98 -22.389 5.160 0.113 No H/Q in entry = 758 Start of MODEL 10 1 H1 GLY 1 2H GLY 1 -8.369 2.655 9.498 2 H2 GLY 1 1H GLY 1 -8.940 4.202 9.873 3 H3 GLY 1 3H GLY 1 -9.808 2.836 10.367 4 1HA GLY 1 1HA GLY 1 -10.575 4.168 8.295 5 2HA GLY 1 2HA GLY 1 -10.658 2.414 8.308 6 H VAL 2 H VAL 2 -8.036 1.734 7.934 7 HA VAL 2 HA VAL 2 -7.160 3.078 5.491 8 HB VAL 2 HB VAL 2 -5.357 2.798 6.949 9 1HG1 VAL 2 3HG1 VAL 2 -6.828 0.724 8.028 10 2HG1 VAL 2 2HG1 VAL 2 -5.380 -0.062 7.398 11 3HG1 VAL 2 1HG1 VAL 2 -5.234 1.263 8.551 12 1HG2 VAL 2 3HG2 VAL 2 -5.211 1.761 4.512 13 2HG2 VAL 2 2HG2 VAL 2 -3.851 1.718 5.633 14 3HG2 VAL 2 1HG2 VAL 2 -4.876 0.296 5.435 15 H TYR 3 H TYR 3 -6.800 1.984 3.550 16 HA TYR 3 HA TYR 3 -7.481 -0.803 3.280 17 1HB TYR 3 2HB TYR 3 -9.273 -0.376 1.590 18 2HB TYR 3 1HB TYR 3 -9.717 0.094 3.227 19 HD1 TYR 3 HD1 TYR 3 -9.714 2.518 3.849 20 HD2 TYR 3 HD2 TYR 3 -9.206 1.214 -0.168 21 HE1 TYR 3 HE1 TYR 3 -10.281 4.773 3.052 22 HE2 TYR 3 HE2 TYR 3 -9.772 3.467 -0.977 23 HH TYR 3 HH TYR 3 -11.284 5.725 0.781 24 H HIS 4 H HIS 4 -7.705 -1.170 0.679 25 HA HIS 4 HA HIS 4 -5.212 -0.048 -0.386 26 1HB HIS 4 2HB HIS 4 -5.054 -2.381 -0.432 27 2HB HIS 4 1HB HIS 4 -6.735 -2.583 -0.910 28 HD1 HIS 4 HD1 HIS 4 -7.178 -2.891 -3.344 29 HD2 HIS 4 HD2 HIS 4 -3.372 -1.394 -2.611 30 HE1 HIS 4 HE1 HIS 4 -6.012 -2.897 -5.573 31 HE2 HIS 4 HE2 HIS 4 -3.742 -1.904 -5.119 32 H ARG 5 H ARG 5 -5.107 0.464 -2.685 33 HA ARG 5 HA ARG 5 -7.598 0.984 -4.067 34 1HB ARG 5 2HB ARG 5 -6.041 3.093 -2.727 35 2HB ARG 5 1HB ARG 5 -6.451 3.437 -4.400 36 1HG ARG 5 2HG ARG 5 -8.586 2.479 -2.558 37 2HG ARG 5 1HG ARG 5 -8.041 4.154 -2.456 38 1HD ARG 5 2HD ARG 5 -8.440 4.320 -4.934 39 2HD ARG 5 1HD ARG 5 -9.216 2.740 -4.841 40 HE ARG 5 HE ARG 5 -10.474 4.266 -2.944 41 1HH1 ARG 5 2HH1 ARG 5 -9.940 4.492 -6.379 42 2HH1 ARG 5 1HH1 ARG 5 -11.408 5.360 -6.681 43 1HH2 ARG 5 2HH2 ARG 5 -12.410 5.409 -3.332 44 2HH2 ARG 5 1HH2 ARG 5 -12.811 5.883 -4.949 45 H GLU 6 H GLU 6 -7.338 1.340 -6.290 46 HA GLU 6 HA GLU 6 -4.608 0.861 -7.291 47 1HB GLU 6 2HB GLU 6 -5.917 -1.069 -7.768 48 2HB GLU 6 1HB GLU 6 -7.270 -0.102 -8.332 49 1HG GLU 6 2HG GLU 6 -6.014 0.577 -10.281 50 2HG GLU 6 1HG GLU 6 -4.595 -0.292 -9.696 51 H ALA 7 H ALA 7 -4.462 1.525 -9.701 52 HA ALA 7 HA ALA 7 -5.158 4.340 -9.815 53 1HB ALA 7 2HB ALA 7 -3.521 4.569 -11.430 54 2HB ALA 7 3HB ALA 7 -3.692 2.905 -11.990 55 3HB ALA 7 1HB ALA 7 -2.893 3.242 -10.453 56 H ARG 8 H ARG 8 -6.147 5.317 -11.683 57 HA ARG 8 HA ARG 8 -8.507 4.004 -12.502 58 1HB ARG 8 2HB ARG 8 -7.229 6.421 -13.788 59 2HB ARG 8 1HB ARG 8 -8.920 5.952 -13.873 60 1HG ARG 8 2HG ARG 8 -8.042 6.238 -11.137 61 2HG ARG 8 1HG ARG 8 -7.764 7.709 -12.070 62 1HD ARG 8 2HD ARG 8 -10.354 6.570 -12.649 63 2HD ARG 8 1HD ARG 8 -10.161 6.874 -10.924 64 HE ARG 8 HE ARG 8 -9.399 9.197 -11.779 65 1HH1 ARG 8 1HH1 ARG 8 -11.906 7.212 -13.159 66 2HH1 ARG 8 2HH1 ARG 8 -12.813 8.556 -13.771 67 1HH2 ARG 8 1HH2 ARG 8 -10.584 10.973 -12.580 68 2HH2 ARG 8 2HH2 ARG 8 -12.060 10.694 -13.442 69 H SER 9 H SER 9 -5.312 4.000 -13.744 70 HA SER 9 HA SER 9 -6.154 3.051 -16.374 71 1HB SER 9 2HB SER 9 -3.678 4.176 -15.226 72 2HB SER 9 1HB SER 9 -3.433 2.891 -16.409 73 HG SER 9 HG SER 9 -4.940 5.267 -16.784 74 H GLY 10 H GLY 10 -4.848 1.889 -13.368 75 1HA GLY 10 2HA GLY 10 -4.232 -0.729 -14.517 76 2HA GLY 10 1HA GLY 10 -5.547 -0.653 -13.353 77 H LYS 11 H LYS 11 -4.054 -2.234 -12.277 78 HA LYS 11 HA LYS 11 -2.803 -1.012 -10.071 79 1HB LYS 11 2HB LYS 11 -3.803 -3.298 -10.074 80 2HB LYS 11 1HB LYS 11 -2.445 -3.851 -11.046 81 1HG LYS 11 2HG LYS 11 -0.905 -3.408 -9.277 82 2HG LYS 11 1HG LYS 11 -2.157 -2.611 -8.320 83 1HD LYS 11 2HD LYS 11 -2.315 -4.630 -7.327 84 2HD LYS 11 1HD LYS 11 -3.315 -5.013 -8.729 85 1HE LYS 11 2HE LYS 11 -0.348 -5.514 -8.534 86 2HE LYS 11 1HE LYS 11 -1.597 -6.730 -8.260 87 1HZ LYS 11 2HZ LYS 11 -2.353 -5.949 -10.628 88 2HZ LYS 11 1HZ LYS 11 -0.731 -5.489 -10.767 89 3HZ LYS 11 3HZ LYS 11 -1.129 -7.101 -10.442 90 H TYR 12 H TYR 12 -0.517 -1.457 -9.399 91 HA TYR 12 HA TYR 12 1.687 -0.966 -9.709 92 1HB TYR 12 2HB TYR 12 1.167 -2.850 -12.011 93 2HB TYR 12 1HB TYR 12 2.776 -2.276 -11.592 94 HD1 TYR 12 HD1 TYR 12 1.353 -2.408 -8.525 95 HD2 TYR 12 HD2 TYR 12 2.532 -5.071 -11.628 96 HE1 TYR 12 HE1 TYR 12 1.573 -4.221 -6.877 97 HE2 TYR 12 HE2 TYR 12 2.753 -6.890 -9.989 98 HH TYR 12 HH TYR 12 3.036 -7.248 -7.659 99 H LYS 13 H LYS 13 0.053 1.055 -10.612 100 HA LYS 13 HA LYS 13 1.652 2.137 -12.812 101 1HB LYS 13 2HB LYS 13 -1.253 1.637 -12.777 102 2HB LYS 13 1HB LYS 13 -0.777 3.230 -13.339 103 1HG LYS 13 2HG LYS 13 0.931 1.735 -14.761 104 2HG LYS 13 1HG LYS 13 -0.394 0.583 -14.579 105 1HD LYS 13 2HD LYS 13 -1.665 2.951 -15.232 106 2HD LYS 13 1HD LYS 13 -0.214 2.963 -16.236 107 1HE LYS 13 2HE LYS 13 -0.835 0.564 -16.853 108 2HE LYS 13 1HE LYS 13 -2.412 0.918 -16.147 109 1HZ LYS 13 3HZ LYS 13 -1.997 3.025 -17.787 110 2HZ LYS 13 2HZ LYS 13 -1.298 1.758 -18.663 111 3HZ LYS 13 1HZ LYS 13 -2.914 1.657 -18.175 112 H LEU 14 H LEU 14 0.561 2.440 -9.728 113 HA LEU 14 HA LEU 14 0.415 5.370 -9.787 114 1HB LEU 14 2HB LEU 14 -0.504 3.268 -7.877 115 2HB LEU 14 1HB LEU 14 -0.167 4.875 -7.271 116 HG LEU 14 HG LEU 14 -2.002 4.541 -9.609 117 1HD1 LEU 14 3HD1 LEU 14 -2.502 3.081 -7.411 118 2HD1 LEU 14 2HD1 LEU 14 -3.229 4.614 -6.929 119 3HD1 LEU 14 1HD1 LEU 14 -3.764 3.810 -8.405 120 1HD2 LEU 14 3HD2 LEU 14 -1.131 6.660 -7.887 121 2HD2 LEU 14 2HD2 LEU 14 -2.130 6.738 -9.339 122 3HD2 LEU 14 1HD2 LEU 14 -2.880 6.465 -7.767 123 H THR 15 H THR 15 1.849 6.648 -8.746 124 HA THR 15 HA THR 15 4.206 5.319 -7.579 125 HB THR 15 HB THR 15 5.577 7.035 -8.349 126 HG1 THR 15 HG1 THR 15 4.865 9.001 -8.052 127 1HG2 THR 15 3HG2 THR 15 3.761 5.900 -10.200 128 2HG2 THR 15 2HG2 THR 15 4.013 7.580 -10.675 129 3HG2 THR 15 1HG2 THR 15 5.393 6.495 -10.501 130 H TYR 16 H TYR 16 5.140 6.241 -5.676 131 HA TYR 16 HA TYR 16 3.602 6.750 -3.564 132 1HB TYR 16 2HB TYR 16 5.995 6.621 -3.310 133 2HB TYR 16 1HB TYR 16 6.217 8.131 -4.185 134 HD1 TYR 16 HD1 TYR 16 4.630 6.750 -1.106 135 HD2 TYR 16 HD2 TYR 16 6.365 10.135 -3.018 136 HE1 TYR 16 HE1 TYR 16 4.525 7.995 1.012 137 HE2 TYR 16 HE2 TYR 16 6.263 11.388 -0.904 138 HH TYR 16 HH TYR 16 5.883 11.247 1.305 139 H ALA 17 H ALA 17 4.580 9.229 -5.896 140 HA ALA 17 HA ALA 17 3.281 11.373 -4.552 141 1HB ALA 17 2HB ALA 17 4.081 11.189 -7.455 142 2HB ALA 17 1HB ALA 17 3.725 12.661 -6.551 143 3HB ALA 17 3HB ALA 17 5.140 11.693 -6.137 144 H GLU 18 H GLU 18 2.353 9.283 -7.279 145 HA GLU 18 HA GLU 18 -0.125 10.573 -7.768 146 1HB GLU 18 2HB GLU 18 0.861 7.795 -8.443 147 2HB GLU 18 1HB GLU 18 -0.649 8.474 -9.028 148 1HG GLU 18 2HG GLU 18 0.590 10.257 -10.154 149 2HG GLU 18 1HG GLU 18 2.102 9.559 -9.577 150 H ALA 19 H ALA 19 0.828 7.702 -5.950 151 HA ALA 19 HA ALA 19 -1.636 6.759 -5.144 152 1HB ALA 19 1HB ALA 19 -0.177 5.279 -4.332 153 2HB ALA 19 2HB ALA 19 0.008 6.360 -2.949 154 3HB ALA 19 3HB ALA 19 1.125 6.470 -4.311 155 H LYS 20 H LYS 20 0.346 9.332 -3.753 156 HA LYS 20 HA LYS 20 -1.318 9.794 -1.494 157 1HB LYS 20 2HB LYS 20 1.150 10.479 -1.898 158 2HB LYS 20 1HB LYS 20 0.469 11.868 -2.732 159 1HG LYS 20 2HG LYS 20 -0.430 12.759 -0.798 160 2HG LYS 20 1HG LYS 20 -0.419 11.207 0.042 161 1HD LYS 20 2HD LYS 20 2.100 11.314 -0.040 162 2HD LYS 20 1HD LYS 20 1.929 12.981 -0.596 163 1HE LYS 20 2HE LYS 20 1.327 13.737 1.439 164 2HE LYS 20 1HE LYS 20 0.377 12.298 1.804 165 1HZ LYS 20 1HZ LYS 20 2.776 11.244 1.921 166 2HZ LYS 20 3HZ LYS 20 3.202 12.836 2.309 167 3HZ LYS 20 2HZ LYS 20 2.073 12.007 3.257 168 H ALA 21 H ALA 21 -1.205 11.056 -4.766 169 HA ALA 21 HA ALA 21 -2.949 13.240 -4.397 170 1HB ALA 21 3HB ALA 21 -3.299 13.038 -6.886 171 2HB ALA 21 1HB ALA 21 -2.248 11.622 -6.835 172 3HB ALA 21 2HB ALA 21 -1.623 13.202 -6.360 173 H VAL 22 H VAL 22 -3.507 9.847 -5.151 174 HA VAL 22 HA VAL 22 -6.277 10.092 -5.709 175 HB VAL 22 HB VAL 22 -4.464 7.800 -5.081 176 1HG1 VAL 22 3HG1 VAL 22 -7.472 7.623 -5.215 177 2HG1 VAL 22 2HG1 VAL 22 -6.368 6.247 -5.234 178 3HG1 VAL 22 1HG1 VAL 22 -6.462 7.285 -3.810 179 1HG2 VAL 22 3HG2 VAL 22 -6.040 8.794 -7.402 180 2HG2 VAL 22 2HG2 VAL 22 -4.370 8.229 -7.327 181 3HG2 VAL 22 1HG2 VAL 22 -5.696 7.068 -7.285 182 H CYS 23 H CYS 23 -4.523 9.035 -2.802 183 HA CYS 23 HA CYS 23 -6.816 8.640 -1.213 184 1HB CYS 23 2HB CYS 23 -3.934 9.181 -0.491 185 2HB CYS 23 1HB CYS 23 -5.174 8.812 0.698 186 H GLU 24 H GLU 24 -4.491 11.333 -1.330 187 HA GLU 24 HA GLU 24 -5.890 12.993 0.474 188 1HB GLU 24 2HB GLU 24 -3.454 13.112 -0.726 189 2HB GLU 24 1HB GLU 24 -4.328 14.329 -1.646 190 1HG GLU 24 2HG GLU 24 -4.411 15.765 0.076 191 2HG GLU 24 1HG GLU 24 -4.648 14.490 1.269 192 H PHE 25 H PHE 25 -6.406 12.198 -2.815 193 HA PHE 25 HA PHE 25 -7.642 14.420 -3.875 194 1HB PHE 25 2HB PHE 25 -7.288 11.807 -4.660 195 2HB PHE 25 1HB PHE 25 -9.037 11.921 -4.508 196 HD1 PHE 25 HD1 PHE 25 -6.124 13.639 -6.045 197 HD2 PHE 25 HD2 PHE 25 -10.293 12.810 -6.235 198 HE1 PHE 25 HE1 PHE 25 -6.233 14.725 -8.248 199 HE2 PHE 25 HE2 PHE 25 -10.412 13.897 -8.440 200 HZ PHE 25 HZ PHE 25 -8.381 14.857 -9.450 201 H GLU 26 H GLU 26 -9.137 11.818 -1.985 202 HA GLU 26 HA GLU 26 -11.515 13.509 -1.634 203 1HB GLU 26 2HB GLU 26 -11.289 10.566 -1.014 204 2HB GLU 26 1HB GLU 26 -12.755 11.525 -1.165 205 1HG GLU 26 2HG GLU 26 -12.249 11.863 -3.553 206 2HG GLU 26 1HG GLU 26 -10.848 10.807 -3.377 207 H GLY 27 H GLY 27 -9.569 14.436 -0.153 208 1HA GLY 27 1HA GLY 27 -10.490 14.463 2.436 209 2HA GLY 27 2HA GLY 27 -8.849 14.890 1.980 210 H GLY 28 H GLY 28 -7.954 12.393 1.073 211 1HA GLY 28 2HA GLY 28 -7.853 10.091 1.933 212 2HA GLY 28 1HA GLY 28 -8.129 10.764 3.534 213 H HIS 29 H HIS 29 -6.160 9.465 3.989 214 HA HIS 29 HA HIS 29 -3.711 10.877 3.203 215 1HB HIS 29 2HB HIS 29 -3.227 9.925 5.766 216 2HB HIS 29 1HB HIS 29 -3.536 11.591 5.309 217 HD1 HIS 29 HD1 HIS 29 -6.496 11.683 4.909 218 HD2 HIS 29 HD2 HIS 29 -4.713 9.529 7.977 219 HE1 HIS 29 HE1 HIS 29 -8.275 11.424 6.665 220 HE2 HIS 29 HE2 HIS 29 -7.205 10.024 8.467 221 H LEU 30 H LEU 30 -1.948 9.638 2.801 222 HA LEU 30 HA LEU 30 -2.162 7.040 1.977 223 1HB LEU 30 2HB LEU 30 -0.101 8.931 2.299 224 2HB LEU 30 1HB LEU 30 0.455 7.468 3.088 225 HG LEU 30 HG LEU 30 -0.649 7.398 0.302 226 1HD1 LEU 30 1HD1 LEU 30 1.734 8.736 1.142 227 2HD1 LEU 30 3HD1 LEU 30 2.162 7.314 0.189 228 3HD1 LEU 30 2HD1 LEU 30 1.083 8.537 -0.485 229 1HD2 LEU 30 1HD2 LEU 30 0.380 5.499 2.159 230 2HD2 LEU 30 3HD2 LEU 30 -0.227 5.229 0.524 231 3HD2 LEU 30 2HD2 LEU 30 1.479 5.595 0.782 232 H ALA 31 H ALA 31 -1.609 5.025 2.848 233 HA ALA 31 HA ALA 31 -2.064 4.824 5.717 234 1HB ALA 31 2HB ALA 31 -2.896 3.299 3.566 235 2HB ALA 31 1HB ALA 31 -1.645 2.310 4.321 236 3HB ALA 31 3HB ALA 31 -3.026 2.861 5.271 237 H THR 32 H THR 32 -0.646 3.719 7.131 238 HA THR 32 HA THR 32 2.140 3.673 6.186 239 HB THR 32 HB THR 32 2.824 3.888 8.506 240 HG1 THR 32 HG1 THR 32 1.161 4.178 10.116 241 1HG2 THR 32 3HG2 THR 32 0.831 5.847 7.438 242 2HG2 THR 32 2HG2 THR 32 1.548 6.097 9.030 243 3HG2 THR 32 1HG2 THR 32 2.581 6.003 7.603 244 H TYR 33 H TYR 33 3.421 2.147 7.902 245 HA TYR 33 HA TYR 33 2.740 -0.499 7.135 246 1HB TYR 33 2HB TYR 33 5.053 0.041 7.521 247 2HB TYR 33 1HB TYR 33 4.710 0.567 9.161 248 HD1 TYR 33 HD1 TYR 33 4.311 -2.501 7.049 249 HD2 TYR 33 HD2 TYR 33 5.251 -0.876 10.870 250 HE1 TYR 33 HE1 TYR 33 4.803 -4.756 7.879 251 HE2 TYR 33 HE2 TYR 33 5.751 -3.132 11.710 252 HH TYR 33 HH TYR 33 5.922 -5.289 11.210 253 H LYS 34 H LYS 34 3.109 0.786 10.410 254 HA LYS 34 HA LYS 34 1.839 -1.196 11.801 255 1HB LYS 34 2HB LYS 34 1.968 1.765 12.340 256 2HB LYS 34 1HB LYS 34 1.268 0.630 13.482 257 1HG LYS 34 2HG LYS 34 3.492 -0.596 13.390 258 2HG LYS 34 1HG LYS 34 4.116 0.836 12.570 259 1HD LYS 34 2HD LYS 34 3.254 2.184 14.520 260 2HD LYS 34 1HD LYS 34 2.963 0.651 15.345 261 1HE LYS 34 2HE LYS 34 5.519 0.309 14.525 262 2HE LYS 34 1HE LYS 34 5.489 2.053 14.782 263 1HZ LYS 34 1HZ LYS 34 4.563 0.099 16.810 264 2HZ LYS 34 3HZ LYS 34 6.143 0.699 16.756 265 3HZ LYS 34 2HZ LYS 34 4.848 1.752 17.025 266 H GLN 35 H GLN 35 0.352 1.632 10.249 267 HA GLN 35 HA GLN 35 -2.268 1.162 11.161 268 1HB GLN 35 2HB GLN 35 -1.241 2.595 8.710 269 2HB GLN 35 1HB GLN 35 -2.921 2.611 9.222 270 1HG GLN 35 2HG GLN 35 -2.299 3.685 11.309 271 2HG GLN 35 1HG GLN 35 -0.600 3.627 10.843 272 1HE2 GLN 35 1HE2 GLN 35 -1.761 5.995 11.520 273 2HE2 GLN 35 2HE2 GLN 35 -1.911 6.999 10.122 274 H LEU 36 H LEU 36 -0.668 0.312 8.098 275 HA LEU 36 HA LEU 36 -2.834 -1.025 6.938 276 1HB LEU 36 2HB LEU 36 -0.390 -0.296 6.126 277 2HB LEU 36 1HB LEU 36 -0.077 -1.983 6.442 278 HG LEU 36 HG LEU 36 -0.620 -1.594 4.084 279 1HD1 LEU 36 3HD1 LEU 36 -2.734 -3.109 5.605 280 2HD1 LEU 36 2HD1 LEU 36 -2.474 -3.219 3.864 281 3HD1 LEU 36 1HD1 LEU 36 -1.214 -3.746 4.979 282 1HD2 LEU 36 1HD2 LEU 36 -2.926 -0.189 5.292 283 2HD2 LEU 36 3HD2 LEU 36 -2.001 0.185 3.838 284 3HD2 LEU 36 2HD2 LEU 36 -3.221 -1.088 3.803 285 H GLU 37 H GLU 37 -0.431 -1.956 9.261 286 HA GLU 37 HA GLU 37 -0.795 -4.757 9.194 287 1HB GLU 37 2HB GLU 37 1.137 -3.633 10.256 288 2HB GLU 37 1HB GLU 37 0.070 -3.003 11.499 289 1HG GLU 37 2HG GLU 37 -0.511 -5.562 11.782 290 2HG GLU 37 1HG GLU 37 1.103 -5.749 11.100 291 H ALA 38 H ALA 38 -1.958 -2.345 11.507 292 HA ALA 38 HA ALA 38 -3.631 -3.943 13.003 293 1HB ALA 38 2HB ALA 38 -3.301 -1.831 13.887 294 2HB ALA 38 1HB ALA 38 -3.660 -1.024 12.361 295 3HB ALA 38 3HB ALA 38 -4.965 -1.735 13.309 296 H ALA 39 H ALA 39 -4.040 -2.767 9.790 297 HA ALA 39 HA ALA 39 -6.901 -3.319 9.732 298 1HB ALA 39 1HB ALA 39 -5.058 -2.545 7.470 299 2HB ALA 39 2HB ALA 39 -5.960 -1.406 8.471 300 3HB ALA 39 3HB ALA 39 -6.821 -2.548 7.439 301 H ARG 40 H ARG 40 -3.881 -4.728 8.834 302 HA ARG 40 HA ARG 40 -4.855 -6.789 7.148 303 1HB ARG 40 2HB ARG 40 -2.577 -6.214 6.931 304 2HB ARG 40 1HB ARG 40 -2.312 -6.293 8.668 305 1HG ARG 40 2HG ARG 40 -3.180 -8.852 7.802 306 2HG ARG 40 1HG ARG 40 -1.903 -8.310 6.714 307 1HD ARG 40 2HD ARG 40 -0.380 -8.009 8.507 308 2HD ARG 40 1HD ARG 40 -1.655 -8.201 9.708 309 HE ARG 40 HE ARG 40 -1.510 -10.541 8.177 310 1HH1 ARG 40 1HH1 ARG 40 0.363 -8.767 10.518 311 2HH1 ARG 40 2HH1 ARG 40 1.154 -10.174 11.143 312 1HH2 ARG 40 1HH2 ARG 40 -0.473 -12.401 8.993 313 2HH2 ARG 40 2HH2 ARG 40 0.679 -12.240 10.276 314 H LYS 41 H LYS 41 -4.309 -6.406 10.577 315 HA LYS 41 HA LYS 41 -4.545 -9.123 11.290 316 1HB LYS 41 2HB LYS 41 -5.164 -6.717 13.003 317 2HB LYS 41 1HB LYS 41 -4.779 -8.337 13.568 318 1HG LYS 41 2HG LYS 41 -2.590 -7.856 12.110 319 2HG LYS 41 1HG LYS 41 -3.007 -6.206 12.568 320 1HD LYS 41 2HD LYS 41 -3.174 -7.047 14.950 321 2HD LYS 41 1HD LYS 41 -2.427 -8.539 14.376 322 1HE LYS 41 2HE LYS 41 -0.944 -6.270 13.436 323 2HE LYS 41 1HE LYS 41 -1.148 -6.174 15.185 324 1HZ LYS 41 2HZ LYS 41 -0.479 -8.811 14.485 325 2HZ LYS 41 1HZ LYS 41 0.634 -7.768 13.756 326 3HZ LYS 41 3HZ LYS 41 0.398 -7.718 15.431 327 H ILE 42 H ILE 42 -6.853 -6.782 10.356 328 HA ILE 42 HA ILE 42 -9.077 -8.127 11.659 329 HB ILE 42 HB ILE 42 -10.440 -6.364 10.896 330 1HG1 ILE 42 2HG1 ILE 42 -8.510 -4.961 9.200 331 2HG1 ILE 42 1HG1 ILE 42 -8.958 -6.541 8.575 332 1HG2 ILE 42 1HG2 ILE 42 -7.679 -5.405 11.596 333 2HG2 ILE 42 3HG2 ILE 42 -9.031 -4.290 11.388 334 3HG2 ILE 42 2HG2 ILE 42 -9.099 -5.534 12.637 335 1HD1 ILE 42 1HD1 ILE 42 -11.391 -5.673 9.093 336 2HD1 ILE 42 3HD1 ILE 42 -10.605 -4.104 8.924 337 3HD1 ILE 42 2HD1 ILE 42 -10.557 -5.260 7.595 338 H GLY 43 H GLY 43 -7.404 -8.116 8.656 339 1HA GLY 43 1HA GLY 43 -9.610 -9.511 7.306 340 2HA GLY 43 2HA GLY 43 -8.055 -10.318 7.466 341 H PHE 44 H PHE 44 -6.911 -7.407 7.182 342 HA PHE 44 HA PHE 44 -7.495 -6.684 4.490 343 1HB PHE 44 2HB PHE 44 -6.482 -5.255 6.438 344 2HB PHE 44 1HB PHE 44 -4.952 -5.904 5.866 345 HD1 PHE 44 HD1 PHE 44 -6.845 -5.809 3.031 346 HD2 PHE 44 HD2 PHE 44 -4.964 -3.152 5.773 347 HE1 PHE 44 HE1 PHE 44 -6.762 -4.077 1.288 348 HE2 PHE 44 HE2 PHE 44 -4.880 -1.412 4.030 349 HZ PHE 44 HZ PHE 44 -5.780 -1.876 1.787 350 H HIS 45 H HIS 45 -6.469 -7.190 2.614 351 HA HIS 45 HA HIS 45 -3.922 -8.514 2.568 352 1HB HIS 45 2HB HIS 45 -5.365 -10.408 3.150 353 2HB HIS 45 1HB HIS 45 -6.393 -10.064 1.765 354 HD1 HIS 45 HD1 HIS 45 -4.922 -12.789 2.182 355 HD2 HIS 45 HD2 HIS 45 -3.560 -9.670 -0.203 356 HE1 HIS 45 HE1 HIS 45 -3.388 -13.852 0.496 357 HE2 HIS 45 HE2 HIS 45 -2.649 -11.959 -0.992 358 H VAL 46 H VAL 46 -2.910 -7.837 0.797 359 HA VAL 46 HA VAL 46 -4.383 -7.531 -1.695 360 HB VAL 46 HB VAL 46 -2.579 -5.259 -1.188 361 1HG1 VAL 46 3HG1 VAL 46 -4.506 -5.938 -3.028 362 2HG1 VAL 46 2HG1 VAL 46 -5.318 -4.738 -2.020 363 3HG1 VAL 46 1HG1 VAL 46 -3.796 -4.337 -2.816 364 1HG2 VAL 46 1HG2 VAL 46 -3.672 -5.466 1.012 365 2HG2 VAL 46 3HG2 VAL 46 -4.146 -3.997 0.158 366 3HG2 VAL 46 2HG2 VAL 46 -5.244 -5.378 0.218 367 H CYS 47 H CYS 47 -3.240 -8.957 -2.868 368 HA CYS 47 HA CYS 47 -0.423 -9.324 -2.592 369 1HB CYS 47 2HB CYS 47 -2.444 -10.839 -3.621 370 2HB CYS 47 1HB CYS 47 -1.679 -10.249 -5.093 371 H ALA 48 H ALA 48 0.068 -6.987 -2.861 372 HA ALA 48 HA ALA 48 1.287 -6.481 -5.332 373 1HB ALA 48 2HB ALA 48 -1.227 -6.171 -5.858 374 2HB ALA 48 3HB ALA 48 -0.079 -4.955 -6.421 375 3HB ALA 48 1HB ALA 48 -1.054 -4.648 -4.985 376 H ALA 49 H ALA 49 2.748 -4.848 -5.142 377 HA ALA 49 HA ALA 49 3.431 -3.868 -2.630 378 1HB ALA 49 1HB ALA 49 5.263 -3.242 -3.720 379 2HB ALA 49 3HB ALA 49 4.491 -3.744 -5.224 380 3HB ALA 49 2HB ALA 49 4.349 -2.074 -4.674 381 H GLY 50 H GLY 50 2.380 -2.466 -1.382 382 1HA GLY 50 2HA GLY 50 0.397 -1.052 -1.150 383 2HA GLY 50 1HA GLY 50 0.808 -0.345 -2.704 384 H TRP 51 H TRP 51 1.557 1.642 -2.537 385 HA TRP 51 HA TRP 51 3.805 2.396 -1.102 386 1HB TRP 51 2HB TRP 51 1.543 3.943 -2.319 387 2HB TRP 51 1HB TRP 51 2.801 4.775 -1.407 388 HD1 TRP 51 HD1 TRP 51 2.054 3.422 -4.786 389 HE1 TRP 51 HE1 TRP 51 4.147 3.588 -6.287 390 HE3 TRP 51 HE3 TRP 51 5.529 4.538 -1.212 391 HZ2 TRP 51 HZ2 TRP 51 6.907 4.125 -5.986 392 HZ3 TRP 51 HZ3 TRP 51 7.870 4.863 -1.892 393 HH2 TRP 51 HH2 TRP 51 8.544 4.658 -4.232 394 H MET 52 H MET 52 4.174 3.455 0.808 395 HA MET 52 HA MET 52 2.067 4.268 2.561 396 1HB MET 52 2HB MET 52 3.249 2.517 4.306 397 2HB MET 52 1HB MET 52 1.706 2.259 3.506 398 1HG MET 52 2HG MET 52 2.545 0.716 2.069 399 2HG MET 52 1HG MET 52 4.156 1.432 2.062 400 1HE MET 52 2HE MET 52 1.796 -1.049 3.225 401 2HE MET 52 1HE MET 52 3.166 -2.013 2.674 402 3HE MET 52 3HE MET 52 2.666 -2.076 4.364 403 H ALA 53 H ALA 53 3.098 4.703 4.847 404 HA ALA 53 HA ALA 53 4.510 6.070 6.000 405 1HB ALA 53 1HB ALA 53 6.882 4.942 4.641 406 2HB ALA 53 3HB ALA 53 6.548 5.154 6.361 407 3HB ALA 53 2HB ALA 53 5.814 3.814 5.479 408 H LYS 54 H LYS 54 6.959 7.175 5.432 409 HA LYS 54 HA LYS 54 6.236 9.433 3.908 410 1HB LYS 54 2HB LYS 54 8.378 8.660 5.611 411 2HB LYS 54 1HB LYS 54 9.077 9.262 4.115 412 1HG LYS 54 2HG LYS 54 8.776 11.326 4.843 413 2HG LYS 54 1HG LYS 54 7.033 11.060 4.820 414 1HD LYS 54 2HD LYS 54 7.603 9.856 7.133 415 2HD LYS 54 1HD LYS 54 8.934 11.014 7.091 416 1HE LYS 54 2HE LYS 54 7.585 12.758 7.485 417 2HE LYS 54 1HE LYS 54 6.346 12.167 6.379 418 1HZ LYS 54 1HZ LYS 54 5.765 10.528 8.177 419 2HZ LYS 54 3HZ LYS 54 6.751 11.427 9.216 420 3HZ LYS 54 2HZ LYS 54 5.392 12.144 8.509 421 H GLY 55 H GLY 55 7.132 6.403 2.839 422 1HA GLY 55 1HA GLY 55 8.687 7.251 0.553 423 2HA GLY 55 2HA GLY 55 7.020 6.836 0.175 424 H ARG 56 H ARG 56 7.299 4.853 2.555 425 HA ARG 56 HA ARG 56 8.999 2.844 1.296 426 1HB ARG 56 2HB ARG 56 9.173 1.850 3.332 427 2HB ARG 56 1HB ARG 56 8.712 3.450 3.894 428 1HG ARG 56 2HG ARG 56 6.440 2.768 4.186 429 2HG ARG 56 1HG ARG 56 6.758 1.214 3.414 430 1HD ARG 56 2HD ARG 56 6.737 0.794 5.737 431 2HD ARG 56 1HD ARG 56 8.432 0.781 5.252 432 HE ARG 56 HE ARG 56 7.984 3.347 6.048 433 1HH1 ARG 56 2HH1 ARG 56 7.560 0.217 7.516 434 2HH1 ARG 56 1HH1 ARG 56 7.830 0.792 9.127 435 1HH2 ARG 56 2HH2 ARG 56 8.341 4.116 8.166 436 2HH2 ARG 56 1HH2 ARG 56 8.274 3.009 9.497 437 H VAL 57 H VAL 57 8.246 1.174 0.153 438 HA VAL 57 HA VAL 57 5.332 0.725 0.138 439 HB VAL 57 HB VAL 57 5.514 1.332 -2.025 440 1HG1 VAL 57 2HG1 VAL 57 8.420 0.846 -1.621 441 2HG1 VAL 57 1HG1 VAL 57 7.798 0.927 -3.269 442 3HG1 VAL 57 3HG1 VAL 57 7.580 2.295 -2.176 443 1HG2 VAL 57 2HG2 VAL 57 5.253 -1.229 -1.936 444 2HG2 VAL 57 1HG2 VAL 57 5.641 -0.477 -3.482 445 3HG2 VAL 57 3HG2 VAL 57 6.908 -1.268 -2.545 446 H GLY 58 H GLY 58 4.720 -1.186 0.895 447 1HA GLY 58 2HA GLY 58 5.609 -3.168 2.118 448 2HA GLY 58 1HA GLY 58 6.630 -3.437 0.712 449 H TYR 59 H TYR 59 5.088 -5.487 1.561 450 HA TYR 59 HA TYR 59 2.656 -5.495 -0.057 451 1HB TYR 59 2HB TYR 59 4.158 -7.957 -0.464 452 2HB TYR 59 1HB TYR 59 3.377 -6.909 -1.646 453 HD1 TYR 59 HD1 TYR 59 4.627 -4.884 -2.484 454 HD2 TYR 59 HD2 TYR 59 6.500 -7.930 -0.181 455 HE1 TYR 59 HE1 TYR 59 6.827 -4.110 -3.262 456 HE2 TYR 59 HE2 TYR 59 8.705 -7.163 -0.951 457 HH TYR 59 HH TYR 59 9.321 -4.297 -2.206 458 HA PRO 60 HA PRO 60 1.929 -7.791 3.814 459 1HB PRO 60 2HB PRO 60 -0.535 -6.821 4.274 460 2HB PRO 60 1HB PRO 60 0.920 -5.902 4.663 461 1HG PRO 60 2HG PRO 60 -0.956 -5.605 2.370 462 2HG PRO 60 1HG PRO 60 -0.093 -4.359 3.284 463 1HD PRO 60 2HD PRO 60 0.670 -5.354 0.804 464 2HD PRO 60 1HD PRO 60 1.731 -4.490 1.931 465 H ILE 61 H ILE 61 1.199 -9.825 3.807 466 HA ILE 61 HA ILE 61 -1.184 -10.511 2.253 467 HB ILE 61 HB ILE 61 1.414 -12.035 2.018 468 1HG1 ILE 61 1HG1 ILE 61 1.287 -9.852 0.764 469 2HG1 ILE 61 2HG1 ILE 61 1.523 -11.273 -0.249 470 1HG2 ILE 61 1HG2 ILE 61 -0.832 -13.292 1.991 471 2HG2 ILE 61 3HG2 ILE 61 -1.066 -12.535 0.415 472 3HG2 ILE 61 2HG2 ILE 61 0.317 -13.595 0.688 473 1HD1 ILE 61 2HD1 ILE 61 -1.186 -11.062 -0.228 474 2HD1 ILE 61 1HD1 ILE 61 -0.687 -9.371 -0.161 475 3HD1 ILE 61 3HD1 ILE 61 -0.124 -10.406 -1.473 476 H VAL 62 H VAL 62 -2.487 -11.248 3.818 477 HA VAL 62 HA VAL 62 -1.583 -12.490 6.203 478 HB VAL 62 HB VAL 62 -4.054 -13.175 6.402 479 1HG1 VAL 62 1HG1 VAL 62 -2.695 -10.804 6.922 480 2HG1 VAL 62 3HG1 VAL 62 -4.208 -10.300 6.170 481 3HG1 VAL 62 2HG1 VAL 62 -4.235 -11.316 7.611 482 1HG2 VAL 62 3HG2 VAL 62 -3.995 -12.054 3.721 483 2HG2 VAL 62 2HG2 VAL 62 -5.224 -13.044 4.508 484 3HG2 VAL 62 1HG2 VAL 62 -5.213 -11.298 4.748 485 H LYS 63 H LYS 63 -2.868 -13.724 3.155 486 HA LYS 63 HA LYS 63 -2.379 -16.469 4.089 487 1HB LYS 63 2HB LYS 63 -4.655 -15.624 3.081 488 2HB LYS 63 1HB LYS 63 -3.828 -15.842 1.546 489 1HG LYS 63 2HG LYS 63 -4.530 -17.946 1.628 490 2HG LYS 63 1HG LYS 63 -3.309 -18.195 2.878 491 1HD LYS 63 2HD LYS 63 -5.293 -17.171 4.374 492 2HD LYS 63 1HD LYS 63 -6.245 -17.950 3.110 493 1HE LYS 63 2HE LYS 63 -4.207 -19.757 3.873 494 2HE LYS 63 1HE LYS 63 -4.932 -19.128 5.350 495 1HZ LYS 63 2HZ LYS 63 -6.850 -19.854 3.330 496 2HZ LYS 63 1HZ LYS 63 -5.923 -21.157 3.880 497 3HZ LYS 63 3HZ LYS 63 -6.819 -20.233 4.978 498 HA PRO 64 HA PRO 64 1.416 -15.798 1.617 499 1HB PRO 64 2HB PRO 64 1.735 -18.584 2.617 500 2HB PRO 64 1HB PRO 64 2.898 -17.257 2.596 501 1HG PRO 64 2HG PRO 64 1.674 -17.989 4.853 502 2HG PRO 64 1HG PRO 64 2.032 -16.290 4.505 503 1HD PRO 64 1HD PRO 64 -0.565 -17.735 4.423 504 2HD PRO 64 2HD PRO 64 -0.227 -16.034 4.804 505 H GLY 65 H GLY 65 0.741 -15.863 -0.480 506 1HA GLY 65 2HA GLY 65 -0.004 -16.730 -2.488 507 2HA GLY 65 1HA GLY 65 -0.579 -18.145 -1.618 508 HA PRO 66 HA PRO 66 2.951 -20.377 -3.062 509 1HB PRO 66 2HB PRO 66 1.955 -21.685 -5.163 510 2HB PRO 66 1HB PRO 66 1.343 -21.989 -3.534 511 1HG PRO 66 2HG PRO 66 0.164 -20.325 -5.726 512 2HG PRO 66 1HG PRO 66 -0.644 -21.439 -4.610 513 1HD PRO 66 1HD PRO 66 -0.555 -18.696 -4.293 514 2HD PRO 66 2HD PRO 66 -0.819 -19.854 -2.978 515 H ASN 67 H ASN 67 1.176 -18.896 -5.766 516 HA ASN 67 HA ASN 67 3.722 -18.376 -7.124 517 1HB ASN 67 2HB ASN 67 2.635 -18.861 -9.019 518 2HB ASN 67 1HB ASN 67 1.257 -19.337 -8.036 519 1HD2 ASN 67 1HD2 ASN 67 -0.147 -17.465 -7.334 520 2HD2 ASN 67 2HD2 ASN 67 -0.499 -16.278 -8.539 521 H CYS 68 H CYS 68 1.249 -16.849 -5.353 522 HA CYS 68 HA CYS 68 1.621 -14.230 -6.524 523 1HB CYS 68 2HB CYS 68 -0.490 -15.330 -5.287 524 2HB CYS 68 1HB CYS 68 0.254 -14.535 -3.904 525 H GLY 69 H GLY 69 1.518 -14.710 -3.053 526 1HA GLY 69 1HA GLY 69 2.828 -13.752 -1.410 527 2HA GLY 69 2HA GLY 69 3.698 -12.888 -2.671 528 H PHE 70 H PHE 70 3.738 -16.032 -3.585 529 HA PHE 70 HA PHE 70 5.371 -17.612 -3.684 530 1HB PHE 70 2HB PHE 70 6.763 -15.155 -3.297 531 2HB PHE 70 1HB PHE 70 7.556 -16.388 -2.323 532 HD1 PHE 70 HD1 PHE 70 6.106 -16.055 -5.749 533 HD2 PHE 70 HD2 PHE 70 9.276 -17.518 -3.316 534 HE1 PHE 70 HE1 PHE 70 7.254 -16.894 -7.756 535 HE2 PHE 70 HE2 PHE 70 10.430 -18.360 -5.320 536 HZ PHE 70 HZ PHE 70 9.420 -18.048 -7.543 537 H GLY 71 H GLY 71 4.080 -16.446 -0.890 538 1HA GLY 71 1HA GLY 71 5.183 -18.712 0.639 539 2HA GLY 71 2HA GLY 71 3.596 -17.995 0.894 540 H LYS 72 H LYS 72 4.691 -15.253 0.687 541 HA LYS 72 HA LYS 72 6.558 -14.999 2.870 542 1HB LYS 72 2HB LYS 72 5.099 -13.021 1.132 543 2HB LYS 72 1HB LYS 72 6.059 -12.508 2.513 544 1HG LYS 72 2HG LYS 72 7.390 -14.335 0.624 545 2HG LYS 72 1HG LYS 72 7.025 -12.716 0.023 546 1HD LYS 72 2HD LYS 72 8.074 -11.933 2.270 547 2HD LYS 72 1HD LYS 72 8.800 -13.542 2.285 548 1HE LYS 72 2HE LYS 72 9.071 -11.491 0.090 549 2HE LYS 72 1HE LYS 72 10.305 -11.904 1.281 550 1HZ LYS 72 3HZ LYS 72 10.154 -14.233 0.384 551 2HZ LYS 72 2HZ LYS 72 9.241 -13.607 -0.895 552 3HZ LYS 72 1HZ LYS 72 10.834 -13.089 -0.663 553 H THR 73 H THR 73 6.148 -13.855 4.827 554 HA THR 73 HA THR 73 3.317 -13.845 5.643 555 HB THR 73 HB THR 73 4.627 -14.227 7.997 556 HG1 THR 73 HG1 THR 73 6.506 -14.696 6.379 557 1HG2 THR 73 2HG2 THR 73 2.620 -15.414 7.041 558 2HG2 THR 73 1HG2 THR 73 3.746 -16.495 6.219 559 3HG2 THR 73 3HG2 THR 73 3.715 -16.428 7.981 560 H GLY 74 H GLY 74 2.591 -12.014 6.547 561 1HA GLY 74 2HA GLY 74 4.381 -10.203 7.928 562 2HA GLY 74 1HA GLY 74 2.641 -10.017 7.745 563 H ILE 75 H ILE 75 3.779 -7.742 7.445 564 HA ILE 75 HA ILE 75 3.427 -7.089 4.681 565 HB ILE 75 HB ILE 75 4.542 -5.228 6.763 566 1HG1 ILE 75 2HG1 ILE 75 1.979 -6.561 6.766 567 2HG1 ILE 75 1HG1 ILE 75 2.673 -5.484 7.970 568 1HG2 ILE 75 1HG2 ILE 75 4.223 -4.811 4.151 569 2HG2 ILE 75 3HG2 ILE 75 2.600 -4.386 4.699 570 3HG2 ILE 75 2HG2 ILE 75 4.002 -3.543 5.358 571 1HD1 ILE 75 2HD1 ILE 75 1.909 -3.573 6.511 572 2HD1 ILE 75 1HD1 ILE 75 0.987 -4.768 5.599 573 3HD1 ILE 75 3HD1 ILE 75 0.645 -4.509 7.310 574 H ILE 76 H ILE 76 5.012 -7.914 3.401 575 HA ILE 76 HA ILE 76 7.774 -7.882 4.075 576 HB ILE 76 HB ILE 76 6.735 -8.069 1.262 577 1HG1 ILE 76 2HG1 ILE 76 5.311 -9.549 2.520 578 2HG1 ILE 76 1HG1 ILE 76 6.501 -10.528 1.668 579 1HG2 ILE 76 1HG2 ILE 76 9.232 -8.030 1.979 580 2HG2 ILE 76 3HG2 ILE 76 8.931 -9.699 2.464 581 3HG2 ILE 76 2HG2 ILE 76 8.686 -9.210 0.787 582 1HD1 ILE 76 3HD1 ILE 76 7.497 -9.851 4.258 583 2HD1 ILE 76 2HD1 ILE 76 5.886 -10.554 4.396 584 3HD1 ILE 76 1HD1 ILE 76 7.165 -11.439 3.564 585 H ASP 77 H ASP 77 8.193 -5.708 4.651 586 HA ASP 77 HA ASP 77 8.320 -3.853 2.364 587 1HB ASP 77 2HB ASP 77 6.872 -2.782 3.828 588 2HB ASP 77 1HB ASP 77 7.688 -3.407 5.257 589 H TYR 78 H TYR 78 10.240 -2.974 1.842 590 HA TYR 78 HA TYR 78 12.543 -3.679 3.537 591 1HB TYR 78 2HB TYR 78 12.573 -3.060 0.578 592 2HB TYR 78 1HB TYR 78 13.907 -3.681 1.544 593 HD1 TYR 78 HD1 TYR 78 10.380 -4.594 0.692 594 HD2 TYR 78 HD2 TYR 78 14.354 -5.937 1.403 595 HE1 TYR 78 HE1 TYR 78 9.692 -6.891 0.153 596 HE2 TYR 78 HE2 TYR 78 13.677 -8.239 0.864 597 HH TYR 78 HH TYR 78 11.133 -9.486 0.988 598 H GLY 79 H GLY 79 10.717 -1.270 3.591 599 1HA GLY 79 2HA GLY 79 12.737 0.672 4.102 600 2HA GLY 79 1HA GLY 79 10.998 0.955 4.123 601 H ILE 80 H ILE 80 11.896 3.040 3.157 602 HA ILE 80 HA ILE 80 11.133 3.268 0.512 603 HB ILE 80 HB ILE 80 13.149 5.078 1.820 604 1HG1 ILE 80 2HG1 ILE 80 10.158 4.924 2.209 605 2HG1 ILE 80 1HG1 ILE 80 11.406 4.751 3.435 606 1HG2 ILE 80 2HG2 ILE 80 11.176 5.338 -0.411 607 2HG2 ILE 80 1HG2 ILE 80 11.676 6.761 0.502 608 3HG2 ILE 80 3HG2 ILE 80 12.876 5.800 -0.361 609 1HD1 ILE 80 3HD1 ILE 80 12.037 7.112 3.056 610 2HD1 ILE 80 2HD1 ILE 80 10.668 7.256 1.955 611 3HD1 ILE 80 1HD1 ILE 80 10.394 6.898 3.659 612 H ARG 81 H ARG 81 12.302 3.662 -1.410 613 HA ARG 81 HA ARG 81 15.070 2.665 -1.430 614 1HB ARG 81 2HB ARG 81 13.127 2.028 -3.638 615 2HB ARG 81 1HB ARG 81 14.682 1.280 -3.298 616 1HG ARG 81 2HG ARG 81 12.876 0.981 -1.068 617 2HG ARG 81 1HG ARG 81 12.174 0.348 -2.559 618 1HD ARG 81 2HD ARG 81 14.903 -0.356 -1.485 619 2HD ARG 81 1HD ARG 81 13.457 -1.349 -1.307 620 HE ARG 81 HE ARG 81 13.462 -1.366 -3.844 621 1HH1 ARG 81 1HH1 ARG 81 16.360 -1.081 -1.932 622 2HH1 ARG 81 2HH1 ARG 81 17.379 -1.799 -3.134 623 1HH2 ARG 81 2HH2 ARG 81 14.795 -2.313 -5.434 624 2HH2 ARG 81 1HH2 ARG 81 16.489 -2.500 -5.126 625 H LEU 82 H LEU 82 13.552 5.342 -1.678 626 HA LEU 82 HA LEU 82 13.770 7.303 -2.811 627 1HB LEU 82 2HB LEU 82 16.343 5.890 -3.313 628 2HB LEU 82 1HB LEU 82 16.011 7.343 -4.232 629 HG LEU 82 HG LEU 82 17.358 7.864 -2.283 630 1HD1 LEU 82 3HD1 LEU 82 14.519 8.851 -2.200 631 2HD1 LEU 82 2HD1 LEU 82 15.794 9.508 -1.176 632 3HD1 LEU 82 1HD1 LEU 82 15.924 9.626 -2.930 633 1HD2 LEU 82 1HD2 LEU 82 16.000 5.879 -1.021 634 2HD2 LEU 82 3HD2 LEU 82 17.000 7.086 -0.211 635 3HD2 LEU 82 2HD2 LEU 82 15.254 7.315 -0.318 636 H ASN 83 H ASN 83 12.411 5.013 -4.106 637 HA ASN 83 HA ASN 83 12.692 5.888 -6.907 638 1HB ASN 83 2HB ASN 83 12.707 3.224 -5.753 639 2HB ASN 83 1HB ASN 83 11.436 3.396 -6.960 640 1HD2 ASN 83 1HD2 ASN 83 12.305 4.764 -8.928 641 2HD2 ASN 83 2HD2 ASN 83 13.785 4.168 -9.592 642 H ARG 84 H ARG 84 11.094 7.475 -5.634 643 HA ARG 84 HA ARG 84 8.436 6.616 -5.228 644 1HB ARG 84 2HB ARG 84 9.586 9.356 -5.772 645 2HB ARG 84 1HB ARG 84 7.916 9.062 -5.318 646 1HG ARG 84 2HG ARG 84 8.644 8.106 -3.200 647 2HG ARG 84 1HG ARG 84 10.326 8.371 -3.656 648 1HD ARG 84 2HD ARG 84 8.816 10.800 -3.946 649 2HD ARG 84 1HD ARG 84 8.616 10.145 -2.321 650 HE ARG 84 HE ARG 84 11.248 10.008 -2.571 651 1HH1 ARG 84 1HH1 ARG 84 9.054 12.570 -3.437 652 2HH1 ARG 84 2HH1 ARG 84 10.213 13.829 -3.171 653 1HH2 ARG 84 1HH2 ARG 84 12.783 11.661 -2.219 654 2HH2 ARG 84 2HH2 ARG 84 12.333 13.312 -2.481 655 H SER 85 H SER 85 10.149 6.710 -8.018 656 HA SER 85 HA SER 85 7.920 7.573 -9.705 657 1HB SER 85 2HB SER 85 10.281 8.376 -10.138 658 2HB SER 85 1HB SER 85 10.678 6.722 -10.603 659 HG SER 85 HG SER 85 10.086 8.079 -12.387 660 H GLU 86 H GLU 86 8.625 4.862 -8.158 661 HA GLU 86 HA GLU 86 8.600 2.875 -10.183 662 1HB GLU 86 2HB GLU 86 8.158 2.911 -7.228 663 2HB GLU 86 1HB GLU 86 7.679 1.482 -8.133 664 1HG GLU 86 2HG GLU 86 10.386 2.516 -8.674 665 2HG GLU 86 1HG GLU 86 10.114 1.826 -7.074 666 H ARG 87 H ARG 87 6.661 1.112 -9.798 667 HA ARG 87 HA ARG 87 4.122 2.567 -10.000 668 1HB ARG 87 2HB ARG 87 3.518 0.951 -11.874 669 2HB ARG 87 1HB ARG 87 4.613 2.267 -12.267 670 1HG ARG 87 2HG ARG 87 6.218 0.113 -11.445 671 2HG ARG 87 1HG ARG 87 5.003 -0.547 -12.541 672 1HD ARG 87 2HD ARG 87 6.674 1.881 -13.163 673 2HD ARG 87 1HD ARG 87 7.117 0.242 -13.640 674 HE ARG 87 HE ARG 87 4.690 1.638 -14.568 675 1HH1 ARG 87 1HH1 ARG 87 7.299 -0.621 -15.038 676 2HH1 ARG 87 2HH1 ARG 87 6.843 -1.008 -16.664 677 1HH2 ARG 87 1HH2 ARG 87 4.082 1.137 -16.708 678 2HH2 ARG 87 2HH2 ARG 87 5.014 -0.007 -17.614 679 H TRP 88 H TRP 88 2.865 1.825 -8.475 680 HA TRP 88 HA TRP 88 2.356 -1.017 -8.214 681 1HB TRP 88 2HB TRP 88 3.019 0.471 -5.687 682 2HB TRP 88 1HB TRP 88 2.937 -1.265 -5.955 683 HD1 TRP 88 HD1 TRP 88 5.340 1.578 -5.847 684 HE1 TRP 88 HE1 TRP 88 7.700 0.758 -6.469 685 HE3 TRP 88 HE3 TRP 88 4.144 -3.062 -7.631 686 HZ2 TRP 88 HZ2 TRP 88 8.896 -1.551 -7.569 687 HZ3 TRP 88 HZ3 TRP 88 5.955 -4.514 -8.448 688 HH2 TRP 88 HH2 TRP 88 8.281 -3.773 -8.417 689 H ASP 89 H ASP 89 1.031 -0.716 -5.666 690 HA ASP 89 HA ASP 89 -1.352 0.705 -6.589 691 1HB ASP 89 2HB ASP 89 -1.764 -0.647 -4.094 692 2HB ASP 89 1HB ASP 89 -2.478 -0.994 -5.667 693 H ALA 90 H ALA 90 -2.617 1.302 -4.246 694 HA ALA 90 HA ALA 90 -0.771 2.938 -2.676 695 1HB ALA 90 3HB ALA 90 -1.438 4.450 -4.408 696 2HB ALA 90 1HB ALA 90 -2.260 4.916 -2.919 697 3HB ALA 90 2HB ALA 90 -3.139 4.044 -4.176 698 H TYR 91 H TYR 91 -1.196 2.640 -0.587 699 HA TYR 91 HA TYR 91 -3.763 1.535 0.226 700 1HB TYR 91 2HB TYR 91 -1.092 1.876 1.559 701 2HB TYR 91 1HB TYR 91 -2.527 1.537 2.515 702 HD1 TYR 91 HD1 TYR 91 -3.964 -0.528 1.586 703 HD2 TYR 91 HD2 TYR 91 0.187 0.092 0.889 704 HE1 TYR 91 HE1 TYR 91 -3.687 -2.928 1.132 705 HE2 TYR 91 HE2 TYR 91 0.474 -2.308 0.436 706 HH TYR 91 HH TYR 91 -1.304 -4.242 -0.437 707 H CYS 92 H CYS 92 -5.331 3.010 0.506 708 HA CYS 92 HA CYS 92 -4.733 5.690 1.396 709 1HB CYS 92 2HB CYS 92 -7.186 4.242 0.480 710 2HB CYS 92 1HB CYS 92 -7.369 5.743 1.380 711 H TYR 93 H TYR 93 -6.009 6.674 3.189 712 HA TYR 93 HA TYR 93 -6.855 4.891 5.305 713 1HB TYR 93 2HB TYR 93 -4.394 5.043 5.606 714 2HB TYR 93 1HB TYR 93 -4.543 6.791 5.754 715 HD1 TYR 93 HD1 TYR 93 -6.242 7.597 7.608 716 HD2 TYR 93 HD2 TYR 93 -4.378 3.771 7.542 717 HE1 TYR 93 HE1 TYR 93 -6.643 7.372 10.021 718 HE2 TYR 93 HE2 TYR 93 -4.774 3.535 9.960 719 HH TYR 93 HH TYR 93 -6.306 6.132 11.836 720 H ASN 94 H ASN 94 -8.669 5.744 6.037 721 HA ASN 94 HA ASN 94 -8.820 8.645 6.451 722 1HB ASN 94 2HB ASN 94 -10.859 6.918 5.043 723 2HB ASN 94 1HB ASN 94 -11.241 8.510 5.692 724 1HD2 ASN 94 2HD2 ASN 94 -11.613 9.586 3.843 725 2HD2 ASN 94 1HD2 ASN 94 -10.434 9.837 2.605 726 HA PRO 95 HA PRO 95 -10.126 7.667 10.545 727 1HB PRO 95 2HB PRO 95 -12.109 9.854 10.136 728 2HB PRO 95 1HB PRO 95 -10.938 9.625 11.440 729 1HG PRO 95 2HG PRO 95 -10.511 11.430 9.523 730 2HG PRO 95 1HG PRO 95 -9.179 10.468 10.189 731 1HD PRO 95 2HD PRO 95 -10.583 10.208 7.575 732 2HD PRO 95 1HD PRO 95 -8.882 9.908 7.980 733 H HIS 96 H HIS 96 -12.534 8.199 8.030 734 HA HIS 96 HA HIS 96 -14.274 6.216 9.343 735 1HB HIS 96 2HB HIS 96 -14.983 8.623 7.664 736 2HB HIS 96 1HB HIS 96 -16.132 7.332 8.007 737 HD1 HIS 96 HD1 HIS 96 -15.491 10.544 9.120 738 HD2 HIS 96 HD2 HIS 96 -15.983 6.932 11.114 739 HE1 HIS 96 HE1 HIS 96 -16.131 11.157 11.473 740 HE2 HIS 96 HE2 HIS 96 -16.521 8.955 12.633 741 H ALA 97 H ALA 97 -12.872 7.363 6.340 742 HA ALA 97 HA ALA 97 -12.967 6.503 4.192 743 1HB ALA 97 2HB ALA 97 -11.054 5.390 4.672 744 2HB ALA 97 3HB ALA 97 -12.092 3.985 4.428 745 3HB ALA 97 1HB ALA 97 -11.755 4.559 6.062 746 H LYS 98 H LYS 98 -15.401 6.651 4.242 747 HA LYS 98 HA LYS 98 -16.697 4.024 4.307 748 1HB LYS 98 2HB LYS 98 -17.676 5.997 5.552 749 2HB LYS 98 1HB LYS 98 -18.023 6.717 3.985 750 1HG LYS 98 2HG LYS 98 -19.339 4.631 3.454 751 2HG LYS 98 1HG LYS 98 -19.166 4.197 5.156 752 1HD LYS 98 2HD LYS 98 -21.077 5.348 5.420 753 2HD LYS 98 1HD LYS 98 -20.033 6.769 5.343 754 1HE LYS 98 2HE LYS 98 -20.921 5.679 2.752 755 2HE LYS 98 1HE LYS 98 -22.181 6.393 3.757 756 1HZ LYS 98 3HZ LYS 98 -19.660 7.740 2.947 757 2HZ LYS 98 2HZ LYS 98 -21.183 8.019 2.266 758 3HZ LYS 98 1HZ LYS 98 -20.893 8.425 3.881 No H/Q in entry = 758 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -11.679 2.049 7.468 2 H2 GLY 1 3H GLY 1 -11.710 1.506 9.070 3 H3 GLY 1 2H GLY 1 -12.386 3.005 8.672 4 1HA GLY 1 2HA GLY 1 -9.782 2.469 9.496 5 2HA GLY 1 1HA GLY 1 -10.472 4.017 9.037 6 H VAL 2 H VAL 2 -8.058 1.871 8.376 7 HA VAL 2 HA VAL 2 -7.307 3.278 5.981 8 HB VAL 2 HB VAL 2 -5.441 2.799 7.256 9 1HG1 VAL 2 1HG1 VAL 2 -7.016 0.719 8.289 10 2HG1 VAL 2 3HG1 VAL 2 -5.531 -0.026 7.698 11 3HG1 VAL 2 2HG1 VAL 2 -5.451 1.286 8.875 12 1HG2 VAL 2 2HG2 VAL 2 -5.429 1.851 4.809 13 2HG2 VAL 2 1HG2 VAL 2 -4.064 1.580 5.893 14 3HG2 VAL 2 3HG2 VAL 2 -5.258 0.306 5.642 15 H TYR 3 H TYR 3 -7.137 2.477 3.910 16 HA TYR 3 HA TYR 3 -7.978 -0.266 3.398 17 1HB TYR 3 2HB TYR 3 -9.618 0.459 1.674 18 2HB TYR 3 1HB TYR 3 -10.090 0.892 3.311 19 HD1 TYR 3 HD1 TYR 3 -9.377 3.322 4.063 20 HD2 TYR 3 HD2 TYR 3 -9.766 2.062 0.018 21 HE1 TYR 3 HE1 TYR 3 -9.664 5.664 3.367 22 HE2 TYR 3 HE2 TYR 3 -10.055 4.399 -0.689 23 HH TYR 3 HH TYR 3 -10.855 6.569 0.409 24 H HIS 4 H HIS 4 -8.044 -0.511 0.821 25 HA HIS 4 HA HIS 4 -5.485 0.607 -0.114 26 1HB HIS 4 2HB HIS 4 -5.166 -1.707 0.036 27 2HB HIS 4 1HB HIS 4 -6.791 -2.064 -0.536 28 HD1 HIS 4 HD1 HIS 4 -7.163 -2.160 -3.068 29 HD2 HIS 4 HD2 HIS 4 -3.277 -1.165 -1.988 30 HE1 HIS 4 HE1 HIS 4 -5.814 -2.336 -5.182 31 HE2 HIS 4 HE2 HIS 4 -3.446 -1.843 -4.479 32 H ARG 5 H ARG 5 -5.269 0.869 -2.459 33 HA ARG 5 HA ARG 5 -7.678 1.126 -4.029 34 1HB ARG 5 2HB ARG 5 -6.256 3.470 -2.872 35 2HB ARG 5 1HB ARG 5 -6.833 3.607 -4.526 36 1HG ARG 5 2HG ARG 5 -8.586 2.817 -2.213 37 2HG ARG 5 1HG ARG 5 -8.394 4.476 -2.783 38 1HD ARG 5 2HD ARG 5 -9.147 3.724 -5.032 39 2HD ARG 5 1HD ARG 5 -9.475 2.135 -4.343 40 HE ARG 5 HE ARG 5 -10.818 4.553 -3.333 41 1HH1 ARG 5 1HH1 ARG 5 -10.909 1.314 -4.609 42 2HH1 ARG 5 2HH1 ARG 5 -12.614 1.129 -4.371 43 1HH2 ARG 5 1HH2 ARG 5 -13.066 4.319 -3.015 44 2HH2 ARG 5 2HH2 ARG 5 -13.841 2.837 -3.466 45 H GLU 6 H GLU 6 -7.194 1.771 -6.278 46 HA GLU 6 HA GLU 6 -4.394 1.227 -7.009 47 1HB GLU 6 2HB GLU 6 -5.168 -0.036 -8.952 48 2HB GLU 6 1HB GLU 6 -5.761 -0.756 -7.462 49 1HG GLU 6 2HG GLU 6 -7.392 1.103 -9.169 50 2HG GLU 6 1HG GLU 6 -7.409 -0.651 -9.340 51 H ALA 7 H ALA 7 -4.383 1.640 -9.635 52 HA ALA 7 HA ALA 7 -4.857 4.495 -9.826 53 1HB ALA 7 2HB ALA 7 -3.201 4.533 -11.349 54 2HB ALA 7 1HB ALA 7 -2.827 2.934 -10.705 55 3HB ALA 7 3HB ALA 7 -3.788 3.090 -12.176 56 H ARG 8 H ARG 8 -5.974 5.490 -11.578 57 HA ARG 8 HA ARG 8 -8.492 4.413 -12.124 58 1HB ARG 8 2HB ARG 8 -6.954 6.772 -12.946 59 2HB ARG 8 1HB ARG 8 -8.117 6.232 -14.148 60 1HG ARG 8 2HG ARG 8 -9.257 6.286 -11.486 61 2HG ARG 8 1HG ARG 8 -8.623 7.858 -11.976 62 1HD ARG 8 2HD ARG 8 -10.481 8.170 -13.149 63 2HD ARG 8 1HD ARG 8 -9.964 6.866 -14.217 64 HE ARG 8 HE ARG 8 -11.669 6.451 -11.846 65 1HH1 ARG 8 2HH1 ARG 8 -10.755 5.743 -15.132 66 2HH1 ARG 8 1HH1 ARG 8 -11.985 4.543 -15.352 67 1HH2 ARG 8 1HH2 ARG 8 -13.293 4.876 -12.126 68 2HH2 ARG 8 2HH2 ARG 8 -13.428 4.050 -13.642 69 H SER 9 H SER 9 -5.463 3.882 -13.641 70 HA SER 9 HA SER 9 -6.686 2.819 -16.071 71 1HB SER 9 2HB SER 9 -4.017 3.789 -15.313 72 2HB SER 9 1HB SER 9 -3.995 2.338 -16.317 73 HG SER 9 HG SER 9 -4.501 4.871 -17.033 74 H GLY 10 H GLY 10 -5.201 1.774 -13.104 75 1HA GLY 10 2HA GLY 10 -5.036 -0.990 -14.058 76 2HA GLY 10 1HA GLY 10 -6.155 -0.643 -12.747 77 H LYS 11 H LYS 11 -4.744 -2.305 -11.711 78 HA LYS 11 HA LYS 11 -3.144 -1.181 -9.743 79 1HB LYS 11 2HB LYS 11 -4.029 -3.304 -9.284 80 2HB LYS 11 1HB LYS 11 -3.432 -3.980 -10.794 81 1HG LYS 11 2HG LYS 11 -1.126 -3.780 -9.931 82 2HG LYS 11 1HG LYS 11 -1.782 -3.217 -8.393 83 1HD LYS 11 2HD LYS 11 -1.686 -5.405 -7.853 84 2HD LYS 11 1HD LYS 11 -3.215 -5.478 -8.730 85 1HE LYS 11 2HE LYS 11 -1.284 -5.713 -10.705 86 2HE LYS 11 1HE LYS 11 -0.650 -6.669 -9.367 87 1HZ LYS 11 1HZ LYS 11 -3.451 -6.990 -10.217 88 2HZ LYS 11 3HZ LYS 11 -2.212 -7.774 -11.064 89 3HZ LYS 11 2HZ LYS 11 -2.446 -8.092 -9.419 90 H TYR 12 H TYR 12 -0.879 -1.303 -9.345 91 HA TYR 12 HA TYR 12 1.295 -0.902 -9.889 92 1HB TYR 12 2HB TYR 12 0.643 -2.995 -11.970 93 2HB TYR 12 1HB TYR 12 2.270 -2.409 -11.646 94 HD1 TYR 12 HD1 TYR 12 1.039 -2.247 -8.531 95 HD2 TYR 12 HD2 TYR 12 1.895 -5.213 -11.460 96 HE1 TYR 12 HE1 TYR 12 1.285 -3.933 -6.750 97 HE2 TYR 12 HE2 TYR 12 2.144 -6.902 -9.691 98 HH TYR 12 HH TYR 12 2.567 -6.190 -6.518 99 H LYS 13 H LYS 13 0.348 1.264 -10.580 100 HA LYS 13 HA LYS 13 1.475 1.923 -13.145 101 1HB LYS 13 2HB LYS 13 -1.488 1.936 -12.689 102 2HB LYS 13 1HB LYS 13 -0.765 3.137 -13.751 103 1HG LYS 13 2HG LYS 13 0.334 1.096 -14.906 104 2HG LYS 13 1HG LYS 13 -0.927 0.174 -14.085 105 1HD LYS 13 2HD LYS 13 -2.377 2.212 -15.134 106 2HD LYS 13 1HD LYS 13 -1.115 2.033 -16.356 107 1HE LYS 13 2HE LYS 13 -1.934 -0.568 -15.693 108 2HE LYS 13 1HE LYS 13 -3.411 0.382 -15.853 109 1HZ LYS 13 1HZ LYS 13 -2.398 1.193 -18.022 110 2HZ LYS 13 3HZ LYS 13 -1.310 -0.094 -17.874 111 3HZ LYS 13 2HZ LYS 13 -2.969 -0.399 -17.987 112 H LEU 14 H LEU 14 0.583 2.625 -10.009 113 HA LEU 14 HA LEU 14 0.982 5.509 -10.411 114 1HB LEU 14 2HB LEU 14 -0.069 5.739 -8.196 115 2HB LEU 14 1HB LEU 14 -1.132 5.074 -9.411 116 HG LEU 14 HG LEU 14 0.063 2.876 -8.156 117 1HD1 LEU 14 2HD1 LEU 14 -0.147 5.155 -6.363 118 2HD1 LEU 14 1HD1 LEU 14 -1.059 3.753 -5.803 119 3HD1 LEU 14 3HD1 LEU 14 0.666 3.606 -6.136 120 1HD2 LEU 14 3HD2 LEU 14 -2.368 3.518 -9.015 121 2HD2 LEU 14 2HD2 LEU 14 -2.089 2.210 -7.867 122 3HD2 LEU 14 1HD2 LEU 14 -2.618 3.790 -7.291 123 H THR 15 H THR 15 2.152 6.636 -8.708 124 HA THR 15 HA THR 15 4.340 4.983 -7.618 125 HB THR 15 HB THR 15 5.861 6.721 -7.964 126 HG1 THR 15 HG1 THR 15 4.910 8.881 -8.648 127 1HG2 THR 15 3HG2 THR 15 4.049 6.150 -10.155 128 2HG2 THR 15 2HG2 THR 15 4.799 7.737 -10.322 129 3HG2 THR 15 1HG2 THR 15 5.805 6.298 -10.158 130 H TYR 16 H TYR 16 5.468 6.863 -5.925 131 HA TYR 16 HA TYR 16 3.754 6.688 -3.668 132 1HB TYR 16 2HB TYR 16 6.115 6.658 -3.272 133 2HB TYR 16 1HB TYR 16 6.344 8.172 -4.141 134 HD1 TYR 16 HD1 TYR 16 4.636 6.769 -1.134 135 HD2 TYR 16 HD2 TYR 16 6.420 10.173 -2.967 136 HE1 TYR 16 HE1 TYR 16 4.422 8.013 0.977 137 HE2 TYR 16 HE2 TYR 16 6.209 11.425 -0.860 138 HH TYR 16 HH TYR 16 4.658 9.983 1.987 139 H ALA 17 H ALA 17 4.689 9.275 -5.865 140 HA ALA 17 HA ALA 17 3.254 11.335 -4.525 141 1HB ALA 17 2HB ALA 17 4.136 11.241 -7.408 142 2HB ALA 17 1HB ALA 17 3.705 12.677 -6.480 143 3HB ALA 17 3HB ALA 17 5.148 11.755 -6.057 144 H GLU 18 H GLU 18 2.510 9.108 -7.172 145 HA GLU 18 HA GLU 18 -0.006 10.282 -7.814 146 1HB GLU 18 2HB GLU 18 1.165 7.556 -8.373 147 2HB GLU 18 1HB GLU 18 -0.368 8.115 -9.021 148 1HG GLU 18 2HG GLU 18 0.820 9.977 -10.127 149 2HG GLU 18 1HG GLU 18 2.342 9.308 -9.543 150 H ALA 19 H ALA 19 1.051 7.563 -5.844 151 HA ALA 19 HA ALA 19 -1.389 6.472 -5.131 152 1HB ALA 19 2HB ALA 19 0.030 5.108 -4.102 153 2HB ALA 19 3HB ALA 19 0.247 6.328 -2.847 154 3HB ALA 19 1HB ALA 19 1.327 6.294 -4.241 155 H LYS 20 H LYS 20 0.364 9.186 -3.695 156 HA LYS 20 HA LYS 20 -1.425 9.598 -1.531 157 1HB LYS 20 2HB LYS 20 0.980 10.454 -1.810 158 2HB LYS 20 1HB LYS 20 0.281 11.738 -2.784 159 1HG LYS 20 2HG LYS 20 -1.282 11.938 -0.622 160 2HG LYS 20 1HG LYS 20 0.181 11.298 0.131 161 1HD LYS 20 2HD LYS 20 0.557 13.503 -1.799 162 2HD LYS 20 1HD LYS 20 -0.244 13.919 -0.282 163 1HE LYS 20 2HE LYS 20 1.649 13.742 0.887 164 2HE LYS 20 1HE LYS 20 2.087 12.224 0.104 165 1HZ LYS 20 2HZ LYS 20 2.437 14.154 -1.817 166 2HZ LYS 20 1HZ LYS 20 3.052 14.850 -0.404 167 3HZ LYS 20 3HZ LYS 20 3.653 13.364 -0.947 168 H ALA 21 H ALA 21 -0.997 11.409 -4.571 169 HA ALA 21 HA ALA 21 -2.989 13.248 -4.349 170 1HB ALA 21 3HB ALA 21 -3.239 13.076 -6.851 171 2HB ALA 21 1HB ALA 21 -2.125 11.710 -6.786 172 3HB ALA 21 2HB ALA 21 -1.591 13.307 -6.263 173 H VAL 22 H VAL 22 -3.366 9.837 -5.119 174 HA VAL 22 HA VAL 22 -6.143 10.017 -5.753 175 HB VAL 22 HB VAL 22 -4.299 7.720 -5.180 176 1HG1 VAL 22 2HG1 VAL 22 -7.281 7.588 -5.594 177 2HG1 VAL 22 1HG1 VAL 22 -6.194 6.205 -5.723 178 3HG1 VAL 22 3HG1 VAL 22 -6.374 7.046 -4.183 179 1HG2 VAL 22 1HG2 VAL 22 -5.168 9.136 -7.501 180 2HG2 VAL 22 3HG2 VAL 22 -3.999 7.822 -7.376 181 3HG2 VAL 22 2HG2 VAL 22 -5.709 7.460 -7.609 182 H CYS 23 H CYS 23 -4.433 8.647 -2.944 183 HA CYS 23 HA CYS 23 -6.766 8.188 -1.433 184 1HB CYS 23 2HB CYS 23 -3.891 8.527 -0.561 185 2HB CYS 23 1HB CYS 23 -5.190 7.970 0.483 186 H GLU 24 H GLU 24 -4.695 10.960 -1.823 187 HA GLU 24 HA GLU 24 -5.972 12.411 0.351 188 1HB GLU 24 2HB GLU 24 -3.501 12.610 -0.219 189 2HB GLU 24 1HB GLU 24 -3.993 13.485 -1.662 190 1HG GLU 24 2HG GLU 24 -4.766 15.304 -0.455 191 2HG GLU 24 1HG GLU 24 -4.910 14.377 1.038 192 H PHE 25 H PHE 25 -6.462 11.757 -2.885 193 HA PHE 25 HA PHE 25 -7.487 14.112 -3.951 194 1HB PHE 25 2HB PHE 25 -7.123 11.584 -4.853 195 2HB PHE 25 1HB PHE 25 -8.872 11.604 -4.671 196 HD1 PHE 25 HD1 PHE 25 -6.046 13.424 -6.221 197 HD2 PHE 25 HD2 PHE 25 -10.215 12.585 -6.310 198 HE1 PHE 25 HE1 PHE 25 -6.223 14.581 -8.382 199 HE2 PHE 25 HE2 PHE 25 -10.405 13.745 -8.474 200 HZ PHE 25 HZ PHE 25 -8.408 14.745 -9.513 201 H GLU 26 H GLU 26 -9.009 11.636 -1.962 202 HA GLU 26 HA GLU 26 -11.422 13.317 -1.790 203 1HB GLU 26 2HB GLU 26 -11.284 10.385 -1.121 204 2HB GLU 26 1HB GLU 26 -12.716 11.366 -1.403 205 1HG GLU 26 2HG GLU 26 -12.028 11.633 -3.752 206 2HG GLU 26 1HG GLU 26 -10.661 10.565 -3.447 207 H GLY 27 H GLY 27 -9.618 14.289 -0.226 208 1HA GLY 27 1HA GLY 27 -10.640 14.275 2.324 209 2HA GLY 27 2HA GLY 27 -9.000 14.770 1.931 210 H GLY 28 H GLY 28 -8.161 12.158 0.987 211 1HA GLY 28 2HA GLY 28 -7.985 9.913 1.924 212 2HA GLY 28 1HA GLY 28 -8.259 10.625 3.511 213 H HIS 29 H HIS 29 -6.212 9.258 3.846 214 HA HIS 29 HA HIS 29 -3.822 10.732 3.019 215 1HB HIS 29 2HB HIS 29 -3.208 9.947 5.581 216 2HB HIS 29 1HB HIS 29 -3.692 11.563 5.093 217 HD1 HIS 29 HD1 HIS 29 -6.682 11.295 4.804 218 HD2 HIS 29 HD2 HIS 29 -4.528 9.569 7.906 219 HE1 HIS 29 HE1 HIS 29 -8.340 10.952 6.662 220 HE2 HIS 29 HE2 HIS 29 -6.996 9.987 8.561 221 H LEU 30 H LEU 30 -1.983 9.525 2.760 222 HA LEU 30 HA LEU 30 -2.179 6.892 1.990 223 1HB LEU 30 2HB LEU 30 -0.170 8.844 2.188 224 2HB LEU 30 1HB LEU 30 0.443 7.440 3.038 225 HG LEU 30 HG LEU 30 -0.689 7.249 0.267 226 1HD1 LEU 30 1HD1 LEU 30 1.716 8.571 1.068 227 2HD1 LEU 30 3HD1 LEU 30 2.119 7.111 0.162 228 3HD1 LEU 30 2HD1 LEU 30 1.063 8.331 -0.553 229 1HD2 LEU 30 3HD2 LEU 30 0.221 5.383 2.180 230 2HD2 LEU 30 2HD2 LEU 30 -0.256 5.083 0.507 231 3HD2 LEU 30 1HD2 LEU 30 1.428 5.437 0.893 232 H ALA 31 H ALA 31 -2.000 4.948 2.959 233 HA ALA 31 HA ALA 31 -2.234 4.840 5.819 234 1HB ALA 31 2HB ALA 31 -2.884 3.137 3.640 235 2HB ALA 31 1HB ALA 31 -1.837 2.242 4.740 236 3HB ALA 31 3HB ALA 31 -3.329 2.969 5.339 237 H THR 32 H THR 32 -0.793 3.660 7.221 238 HA THR 32 HA THR 32 1.990 3.758 6.274 239 HB THR 32 HB THR 32 2.687 3.994 8.565 240 HG1 THR 32 HG1 THR 32 1.223 2.742 9.678 241 1HG2 THR 32 3HG2 THR 32 0.541 5.794 7.556 242 2HG2 THR 32 2HG2 THR 32 1.135 6.034 9.200 243 3HG2 THR 32 1HG2 THR 32 2.251 6.121 7.837 244 H TYR 33 H TYR 33 3.302 2.277 8.047 245 HA TYR 33 HA TYR 33 2.767 -0.393 7.199 246 1HB TYR 33 2HB TYR 33 5.058 0.361 7.575 247 2HB TYR 33 1HB TYR 33 4.699 0.672 9.267 248 HD1 TYR 33 HD1 TYR 33 4.506 -2.153 6.822 249 HD2 TYR 33 HD2 TYR 33 5.363 -0.910 10.800 250 HE1 TYR 33 HE1 TYR 33 5.177 -4.445 7.385 251 HE2 TYR 33 HE2 TYR 33 6.039 -3.203 11.376 252 HH TYR 33 HH TYR 33 6.574 -5.605 9.031 253 H LYS 34 H LYS 34 3.113 0.879 10.488 254 HA LYS 34 HA LYS 34 1.995 -1.180 11.888 255 1HB LYS 34 2HB LYS 34 1.595 1.751 12.512 256 2HB LYS 34 1HB LYS 34 1.474 0.421 13.653 257 1HG LYS 34 2HG LYS 34 4.026 0.319 12.385 258 2HG LYS 34 1HG LYS 34 3.741 1.952 12.988 259 1HD LYS 34 2HD LYS 34 2.893 0.575 15.111 260 2HD LYS 34 1HD LYS 34 4.047 -0.596 14.469 261 1HE LYS 34 2HE LYS 34 5.614 0.554 15.560 262 2HE LYS 34 1HE LYS 34 5.414 1.792 14.320 263 1HZ LYS 34 2HZ LYS 34 3.439 2.435 15.977 264 2HZ LYS 34 1HZ LYS 34 4.535 1.782 17.087 265 3HZ LYS 34 3HZ LYS 34 4.999 3.077 16.101 266 H GLN 35 H GLN 35 0.323 1.477 10.257 267 HA GLN 35 HA GLN 35 -2.272 0.843 11.151 268 1HB GLN 35 2HB GLN 35 -1.316 2.290 8.679 269 2HB GLN 35 1HB GLN 35 -2.997 2.197 9.172 270 1HG GLN 35 2HG GLN 35 -2.476 3.357 11.243 271 2HG GLN 35 1HG GLN 35 -0.774 3.418 10.787 272 1HE2 GLN 35 1HE2 GLN 35 -2.069 5.713 11.405 273 2HE2 GLN 35 2HE2 GLN 35 -2.303 6.669 9.985 274 H LEU 36 H LEU 36 -0.546 0.022 8.152 275 HA LEU 36 HA LEU 36 -2.590 -1.489 6.977 276 1HB LEU 36 2HB LEU 36 -0.048 -0.746 6.265 277 2HB LEU 36 1HB LEU 36 0.135 -2.472 6.499 278 HG LEU 36 HG LEU 36 -0.386 -1.702 4.142 279 1HD1 LEU 36 1HD1 LEU 36 -2.236 -3.677 5.468 280 2HD1 LEU 36 3HD1 LEU 36 -1.952 -3.552 3.732 281 3HD1 LEU 36 2HD1 LEU 36 -0.636 -4.015 4.810 282 1HD2 LEU 36 1HD2 LEU 36 -2.389 -0.276 5.380 283 2HD2 LEU 36 3HD2 LEU 36 -2.248 -0.581 3.649 284 3HD2 LEU 36 2HD2 LEU 36 -3.246 -1.634 4.652 285 H GLU 37 H GLU 37 -0.450 -2.159 9.579 286 HA GLU 37 HA GLU 37 -0.642 -5.011 9.503 287 1HB GLU 37 2HB GLU 37 1.218 -3.788 10.609 288 2HB GLU 37 1HB GLU 37 0.082 -3.207 11.817 289 1HG GLU 37 2HG GLU 37 0.915 -4.979 12.945 290 2HG GLU 37 1HG GLU 37 -0.391 -5.794 12.084 291 H ALA 38 H ALA 38 -1.913 -2.634 11.812 292 HA ALA 38 HA ALA 38 -3.658 -4.355 13.124 293 1HB ALA 38 2HB ALA 38 -3.562 -2.505 14.385 294 2HB ALA 38 1HB ALA 38 -3.235 -1.465 12.999 295 3HB ALA 38 3HB ALA 38 -4.893 -1.930 13.381 296 H ALA 39 H ALA 39 -3.831 -3.127 9.992 297 HA ALA 39 HA ALA 39 -6.743 -3.372 9.821 298 1HB ALA 39 2HB ALA 39 -4.783 -2.590 7.664 299 2HB ALA 39 1HB ALA 39 -6.539 -2.427 7.615 300 3HB ALA 39 3HB ALA 39 -5.594 -1.448 8.736 301 H ARG 40 H ARG 40 -3.785 -4.927 8.939 302 HA ARG 40 HA ARG 40 -4.857 -6.787 7.073 303 1HB ARG 40 2HB ARG 40 -2.521 -6.332 6.976 304 2HB ARG 40 1HB ARG 40 -2.322 -6.657 8.694 305 1HG ARG 40 2HG ARG 40 -3.375 -8.927 7.188 306 2HG ARG 40 1HG ARG 40 -1.773 -8.406 6.665 307 1HD ARG 40 2HD ARG 40 -0.833 -9.331 8.450 308 2HD ARG 40 1HD ARG 40 -1.894 -8.424 9.526 309 HE ARG 40 HE ARG 40 -3.380 -10.249 9.564 310 1HH1 ARG 40 1HH1 ARG 40 -0.538 -10.865 7.646 311 2HH1 ARG 40 2HH1 ARG 40 -0.763 -12.582 7.630 312 1HH2 ARG 40 1HH2 ARG 40 -3.684 -12.510 9.549 313 2HH2 ARG 40 2HH2 ARG 40 -2.551 -13.517 8.712 314 H LYS 41 H LYS 41 -4.392 -6.675 10.534 315 HA LYS 41 HA LYS 41 -4.853 -9.424 11.021 316 1HB LYS 41 2HB LYS 41 -5.357 -7.196 12.983 317 2HB LYS 41 1HB LYS 41 -4.916 -8.862 13.330 318 1HG LYS 41 2HG LYS 41 -2.762 -8.278 11.987 319 2HG LYS 41 1HG LYS 41 -3.215 -6.615 12.364 320 1HD LYS 41 2HD LYS 41 -2.269 -6.860 14.360 321 2HD LYS 41 1HD LYS 41 -3.500 -8.062 14.754 322 1HE LYS 41 2HE LYS 41 -0.841 -8.595 13.435 323 2HE LYS 41 1HE LYS 41 -1.268 -8.965 15.105 324 1HZ LYS 41 3HZ LYS 41 -2.802 -10.084 12.843 325 2HZ LYS 41 2HZ LYS 41 -1.397 -10.837 13.410 326 3HZ LYS 41 1HZ LYS 41 -2.723 -10.635 14.440 327 H ILE 42 H ILE 42 -6.943 -6.864 10.203 328 HA ILE 42 HA ILE 42 -9.284 -8.081 11.434 329 HB ILE 42 HB ILE 42 -10.499 -6.179 10.754 330 1HG1 ILE 42 2HG1 ILE 42 -8.438 -4.836 9.167 331 2HG1 ILE 42 1HG1 ILE 42 -9.000 -6.336 8.442 332 1HG2 ILE 42 3HG2 ILE 42 -7.684 -5.467 11.533 333 2HG2 ILE 42 2HG2 ILE 42 -8.958 -4.254 11.391 334 3HG2 ILE 42 1HG2 ILE 42 -9.117 -5.567 12.557 335 1HD1 ILE 42 2HD1 ILE 42 -11.146 -4.613 9.423 336 2HD1 ILE 42 1HD1 ILE 42 -10.177 -3.910 8.128 337 3HD1 ILE 42 3HD1 ILE 42 -10.978 -5.462 7.886 338 H GLY 43 H GLY 43 -7.530 -8.256 8.540 339 1HA GLY 43 1HA GLY 43 -9.849 -9.419 7.128 340 2HA GLY 43 2HA GLY 43 -8.278 -10.211 7.151 341 H PHE 44 H PHE 44 -7.131 -7.332 7.028 342 HA PHE 44 HA PHE 44 -7.844 -6.474 4.369 343 1HB PHE 44 2HB PHE 44 -7.080 -5.007 6.359 344 2HB PHE 44 1HB PHE 44 -5.452 -5.496 5.905 345 HD1 PHE 44 HD1 PHE 44 -7.358 -5.415 2.991 346 HD2 PHE 44 HD2 PHE 44 -5.474 -2.836 5.806 347 HE1 PHE 44 HE1 PHE 44 -7.301 -3.623 1.306 348 HE2 PHE 44 HE2 PHE 44 -5.418 -1.039 4.126 349 HZ PHE 44 HZ PHE 44 -6.331 -1.433 1.874 350 H HIS 45 H HIS 45 -7.147 -7.526 2.636 351 HA HIS 45 HA HIS 45 -4.327 -8.339 2.525 352 1HB HIS 45 2HB HIS 45 -5.648 -10.351 3.011 353 2HB HIS 45 1HB HIS 45 -6.663 -10.031 1.610 354 HD1 HIS 45 HD1 HIS 45 -4.633 -12.530 2.256 355 HD2 HIS 45 HD2 HIS 45 -4.186 -9.490 -0.542 356 HE1 HIS 45 HE1 HIS 45 -3.067 -13.444 0.513 357 HE2 HIS 45 HE2 HIS 45 -2.883 -11.620 -1.214 358 H VAL 46 H VAL 46 -3.341 -7.519 0.806 359 HA VAL 46 HA VAL 46 -4.820 -7.171 -1.690 360 HB VAL 46 HB VAL 46 -3.065 -4.891 -1.029 361 1HG1 VAL 46 2HG1 VAL 46 -5.211 -5.555 -2.809 362 2HG1 VAL 46 1HG1 VAL 46 -5.598 -4.083 -1.917 363 3HG1 VAL 46 3HG1 VAL 46 -4.107 -4.180 -2.853 364 1HG2 VAL 46 1HG2 VAL 46 -4.199 -5.173 1.111 365 2HG2 VAL 46 3HG2 VAL 46 -4.779 -3.731 0.276 366 3HG2 VAL 46 2HG2 VAL 46 -5.760 -5.198 0.291 367 H CYS 47 H CYS 47 -3.548 -8.834 -2.550 368 HA CYS 47 HA CYS 47 -0.734 -8.930 -2.411 369 1HB CYS 47 2HB CYS 47 -2.302 -10.815 -3.072 370 2HB CYS 47 1HB CYS 47 -2.416 -10.051 -4.654 371 H ALA 48 H ALA 48 -0.024 -6.803 -2.845 372 HA ALA 48 HA ALA 48 0.938 -6.300 -5.381 373 1HB ALA 48 3HB ALA 48 -1.656 -5.996 -5.686 374 2HB ALA 48 1HB ALA 48 -0.516 -4.911 -6.484 375 3HB ALA 48 2HB ALA 48 -1.328 -4.404 -5.003 376 H ALA 49 H ALA 49 2.679 -5.157 -4.865 377 HA ALA 49 HA ALA 49 3.335 -3.923 -2.570 378 1HB ALA 49 3HB ALA 49 5.173 -3.644 -3.789 379 2HB ALA 49 2HB ALA 49 4.260 -3.760 -5.293 380 3HB ALA 49 1HB ALA 49 4.426 -2.204 -4.480 381 H GLY 50 H GLY 50 2.280 -2.483 -1.370 382 1HA GLY 50 2HA GLY 50 0.370 -0.981 -1.189 383 2HA GLY 50 1HA GLY 50 0.813 -0.331 -2.758 384 H TRP 51 H TRP 51 1.488 1.675 -2.555 385 HA TRP 51 HA TRP 51 3.801 2.409 -1.188 386 1HB TRP 51 2HB TRP 51 1.532 3.962 -2.387 387 2HB TRP 51 1HB TRP 51 2.807 4.795 -1.499 388 HD1 TRP 51 HD1 TRP 51 2.005 3.452 -4.866 389 HE1 TRP 51 HE1 TRP 51 4.080 3.586 -6.392 390 HE3 TRP 51 HE3 TRP 51 5.539 4.507 -1.333 391 HZ2 TRP 51 HZ2 TRP 51 6.851 4.079 -6.124 392 HZ3 TRP 51 HZ3 TRP 51 7.875 4.798 -2.042 393 HH2 TRP 51 HH2 TRP 51 8.517 4.586 -4.390 394 H MET 52 H MET 52 4.165 3.654 0.659 395 HA MET 52 HA MET 52 2.117 4.466 2.441 396 1HB MET 52 2HB MET 52 3.136 2.775 4.258 397 2HB MET 52 1HB MET 52 1.708 2.404 3.304 398 1HG MET 52 2HG MET 52 2.728 0.556 2.652 399 2HG MET 52 1HG MET 52 3.837 1.570 1.728 400 1HE MET 52 1HE MET 52 3.670 -1.212 3.230 401 2HE MET 52 3HE MET 52 5.412 -1.378 3.006 402 3HE MET 52 2HE MET 52 4.724 -1.407 4.630 403 H ALA 53 H ALA 53 3.225 4.815 4.751 404 HA ALA 53 HA ALA 53 4.681 6.172 5.865 405 1HB ALA 53 3HB ALA 53 7.000 5.001 4.454 406 2HB ALA 53 1HB ALA 53 5.928 3.889 5.308 407 3HB ALA 53 2HB ALA 53 6.706 5.210 6.180 408 H LYS 54 H LYS 54 7.128 7.244 5.253 409 HA LYS 54 HA LYS 54 6.429 9.520 3.759 410 1HB LYS 54 2HB LYS 54 8.610 8.664 5.366 411 2HB LYS 54 1HB LYS 54 9.271 9.241 3.844 412 1HG LYS 54 2HG LYS 54 8.959 11.350 4.437 413 2HG LYS 54 1HG LYS 54 7.260 11.053 4.803 414 1HD LYS 54 2HD LYS 54 7.973 11.659 6.880 415 2HD LYS 54 1HD LYS 54 8.314 9.930 6.965 416 1HE LYS 54 2HE LYS 54 10.590 10.231 6.705 417 2HE LYS 54 1HE LYS 54 10.397 11.804 5.932 418 1HZ LYS 54 1HZ LYS 54 9.606 12.634 8.135 419 2HZ LYS 54 3HZ LYS 54 10.090 11.158 8.809 420 3HZ LYS 54 2HZ LYS 54 11.235 12.179 8.097 421 H GLY 55 H GLY 55 7.203 6.466 2.660 422 1HA GLY 55 1HA GLY 55 8.656 7.279 0.291 423 2HA GLY 55 2HA GLY 55 6.972 6.856 0.005 424 H ARG 56 H ARG 56 7.255 4.907 2.346 425 HA ARG 56 HA ARG 56 8.962 2.872 1.130 426 1HB ARG 56 2HB ARG 56 7.864 3.376 3.816 427 2HB ARG 56 1HB ARG 56 7.884 1.685 3.337 428 1HG ARG 56 2HG ARG 56 10.275 1.826 2.894 429 2HG ARG 56 1HG ARG 56 10.263 3.532 3.346 430 1HD ARG 56 2HD ARG 56 9.045 1.907 5.395 431 2HD ARG 56 1HD ARG 56 10.672 1.339 5.025 432 HE ARG 56 HE ARG 56 10.616 4.160 5.340 433 1HH1 ARG 56 2HH1 ARG 56 10.569 1.170 7.124 434 2HH1 ARG 56 1HH1 ARG 56 11.273 1.858 8.550 435 1HH2 ARG 56 1HH2 ARG 56 11.543 5.078 7.210 436 2HH2 ARG 56 2HH2 ARG 56 11.826 4.081 8.598 437 H VAL 57 H VAL 57 8.203 1.181 0.017 438 HA VAL 57 HA VAL 57 5.294 0.700 0.047 439 HB VAL 57 HB VAL 57 5.425 1.361 -2.112 440 1HG1 VAL 57 1HG1 VAL 57 8.337 0.807 -1.825 441 2HG1 VAL 57 3HG1 VAL 57 7.649 0.954 -3.442 442 3HG1 VAL 57 2HG1 VAL 57 7.510 2.290 -2.299 443 1HG2 VAL 57 3HG2 VAL 57 5.340 -1.312 -1.929 444 2HG2 VAL 57 2HG2 VAL 57 5.241 -0.446 -3.462 445 3HG2 VAL 57 1HG2 VAL 57 6.777 -1.134 -2.936 446 H GLY 58 H GLY 58 4.745 -1.236 0.791 447 1HA GLY 58 2HA GLY 58 5.850 -3.189 1.968 448 2HA GLY 58 1HA GLY 58 6.645 -3.467 0.426 449 H TYR 59 H TYR 59 5.329 -5.551 1.376 450 HA TYR 59 HA TYR 59 2.689 -5.550 0.083 451 1HB TYR 59 2HB TYR 59 4.069 -8.087 -0.242 452 2HB TYR 59 1HB TYR 59 3.273 -7.082 -1.450 453 HD1 TYR 59 HD1 TYR 59 4.589 -5.066 -2.358 454 HD2 TYR 59 HD2 TYR 59 6.405 -8.258 -0.204 455 HE1 TYR 59 HE1 TYR 59 6.777 -4.445 -3.291 456 HE2 TYR 59 HE2 TYR 59 8.597 -7.641 -1.130 457 HH TYR 59 HH TYR 59 9.181 -6.120 -3.619 458 HA PRO 60 HA PRO 60 1.986 -7.151 4.275 459 1HB PRO 60 2HB PRO 60 -0.758 -7.099 3.967 460 2HB PRO 60 1HB PRO 60 0.217 -5.750 4.551 461 1HG PRO 60 2HG PRO 60 -0.892 -6.251 1.830 462 2HG PRO 60 1HG PRO 60 -0.738 -4.726 2.717 463 1HD PRO 60 2HD PRO 60 0.951 -5.410 0.732 464 2HD PRO 60 1HD PRO 60 1.482 -4.469 2.140 465 H ILE 61 H ILE 61 -0.745 -8.145 2.303 466 HA ILE 61 HA ILE 61 -1.444 -10.179 1.525 467 HB ILE 61 HB ILE 61 1.268 -11.252 2.309 468 1HG1 ILE 61 2HG1 ILE 61 1.214 -9.307 0.635 469 2HG1 ILE 61 1HG1 ILE 61 2.048 -10.774 0.134 470 1HG2 ILE 61 2HG2 ILE 61 -0.449 -12.963 2.009 471 2HG2 ILE 61 1HG2 ILE 61 -0.817 -12.319 0.408 472 3HG2 ILE 61 3HG2 ILE 61 0.761 -13.040 0.728 473 1HD1 ILE 61 1HD1 ILE 61 -0.683 -10.956 -0.646 474 2HD1 ILE 61 3HD1 ILE 61 -0.023 -9.412 -1.186 475 3HD1 ILE 61 2HD1 ILE 61 0.766 -10.919 -1.653 476 H VAL 62 H VAL 62 -3.015 -10.778 2.882 477 HA VAL 62 HA VAL 62 -2.506 -11.473 5.620 478 HB VAL 62 HB VAL 62 -4.778 -10.738 4.106 479 1HG1 VAL 62 3HG1 VAL 62 -5.116 -13.410 5.464 480 2HG1 VAL 62 2HG1 VAL 62 -6.434 -12.394 4.879 481 3HG1 VAL 62 1HG1 VAL 62 -5.275 -13.077 3.739 482 1HG2 VAL 62 2HG2 VAL 62 -4.372 -11.379 7.020 483 2HG2 VAL 62 1HG2 VAL 62 -4.276 -9.800 6.242 484 3HG2 VAL 62 3HG2 VAL 62 -5.829 -10.625 6.372 485 H LYS 63 H LYS 63 -3.028 -13.192 2.620 486 HA LYS 63 HA LYS 63 -2.631 -15.733 4.057 487 1HB LYS 63 2HB LYS 63 -4.623 -14.953 2.039 488 2HB LYS 63 1HB LYS 63 -3.827 -16.488 1.725 489 1HG LYS 63 2HG LYS 63 -4.653 -16.260 4.487 490 2HG LYS 63 1HG LYS 63 -6.006 -16.058 3.372 491 1HD LYS 63 2HD LYS 63 -4.408 -18.207 2.430 492 2HD LYS 63 1HD LYS 63 -4.691 -18.455 4.153 493 1HE LYS 63 2HE LYS 63 -6.900 -18.817 3.874 494 2HE LYS 63 1HE LYS 63 -7.040 -17.618 2.591 495 1HZ LYS 63 1HZ LYS 63 -5.966 -19.229 1.087 496 2HZ LYS 63 3HZ LYS 63 -6.002 -20.384 2.324 497 3HZ LYS 63 2HZ LYS 63 -7.448 -19.778 1.691 498 HA PRO 64 HA PRO 64 1.144 -15.308 1.524 499 1HB PRO 64 2HB PRO 64 1.737 -17.777 3.058 500 2HB PRO 64 1HB PRO 64 2.724 -16.334 2.824 501 1HG PRO 64 2HG PRO 64 1.501 -16.821 5.151 502 2HG PRO 64 1HG PRO 64 1.667 -15.175 4.519 503 1HD PRO 64 2HD PRO 64 -0.727 -16.949 4.583 504 2HD PRO 64 1HD PRO 64 -0.621 -15.186 4.756 505 H GLY 65 H GLY 65 0.390 -15.873 -0.493 506 1HA GLY 65 2HA GLY 65 -0.575 -17.327 -2.096 507 2HA GLY 65 1HA GLY 65 -0.318 -18.671 -0.995 508 HA PRO 66 HA PRO 66 3.168 -19.724 -3.499 509 1HB PRO 66 2HB PRO 66 2.386 -20.003 -6.077 510 2HB PRO 66 1HB PRO 66 1.915 -21.138 -4.808 511 1HG PRO 66 2HG PRO 66 0.362 -18.875 -6.004 512 2HG PRO 66 1HG PRO 66 -0.184 -20.510 -5.587 513 1HD PRO 66 2HD PRO 66 -0.656 -18.346 -4.013 514 2HD PRO 66 1HD PRO 66 -0.455 -19.985 -3.362 515 H ASN 67 H ASN 67 1.948 -18.164 -6.362 516 HA ASN 67 HA ASN 67 4.320 -16.573 -6.594 517 1HB ASN 67 2HB ASN 67 3.726 -16.303 -8.774 518 2HB ASN 67 1HB ASN 67 2.680 -17.674 -8.421 519 1HD2 ASN 67 2HD2 ASN 67 0.530 -16.908 -7.352 520 2HD2 ASN 67 1HD2 ASN 67 -0.272 -15.632 -8.194 521 H CYS 68 H CYS 68 1.318 -16.145 -5.108 522 HA CYS 68 HA CYS 68 1.587 -13.215 -5.179 523 1HB CYS 68 2HB CYS 68 -0.643 -14.813 -5.656 524 2HB CYS 68 1HB CYS 68 -0.891 -14.206 -4.022 525 H GLY 69 H GLY 69 3.373 -14.311 -3.545 526 1HA GLY 69 1HA GLY 69 2.331 -14.688 -0.878 527 2HA GLY 69 2HA GLY 69 3.105 -13.127 -1.120 528 H PHE 70 H PHE 70 4.225 -15.906 -2.868 529 HA PHE 70 HA PHE 70 6.098 -17.199 -2.711 530 1HB PHE 70 2HB PHE 70 7.029 -14.975 -3.329 531 2HB PHE 70 1HB PHE 70 7.283 -14.640 -1.621 532 HD1 PHE 70 HD1 PHE 70 8.049 -17.385 -4.036 533 HD2 PHE 70 HD2 PHE 70 9.423 -14.903 -0.864 534 HE1 PHE 70 HE1 PHE 70 10.260 -18.457 -4.161 535 HE2 PHE 70 HE2 PHE 70 11.637 -15.969 -0.984 536 HZ PHE 70 HZ PHE 70 12.058 -17.748 -2.634 537 H GLY 71 H GLY 71 4.338 -17.284 -0.426 538 1HA GLY 71 1HA GLY 71 5.919 -18.769 1.356 539 2HA GLY 71 2HA GLY 71 4.290 -18.187 1.686 540 H LYS 72 H LYS 72 4.776 -15.421 1.512 541 HA LYS 72 HA LYS 72 6.758 -14.939 3.626 542 1HB LYS 72 2HB LYS 72 5.457 -13.105 1.616 543 2HB LYS 72 1HB LYS 72 6.393 -12.505 2.979 544 1HG LYS 72 2HG LYS 72 8.387 -13.320 2.142 545 2HG LYS 72 1HG LYS 72 7.587 -14.515 1.120 546 1HD LYS 72 2HD LYS 72 7.058 -12.968 -0.509 547 2HD LYS 72 1HD LYS 72 7.127 -11.609 0.615 548 1HE LYS 72 2HE LYS 72 9.425 -11.468 0.517 549 2HE LYS 72 1HE LYS 72 9.611 -13.155 0.035 550 1HZ LYS 72 2HZ LYS 72 8.191 -11.997 -2.000 551 2HZ LYS 72 1HZ LYS 72 9.349 -10.831 -1.595 552 3HZ LYS 72 3HZ LYS 72 9.835 -12.395 -2.023 553 H THR 73 H THR 73 6.223 -13.705 5.460 554 HA THR 73 HA THR 73 3.335 -13.515 6.011 555 HB THR 73 HB THR 73 4.413 -13.741 8.494 556 HG1 THR 73 HG1 THR 73 6.198 -14.894 8.455 557 1HG2 THR 73 2HG2 THR 73 2.835 -15.328 6.718 558 2HG2 THR 73 1HG2 THR 73 3.910 -16.386 7.633 559 3HG2 THR 73 3HG2 THR 73 2.816 -15.293 8.482 560 H GLY 74 H GLY 74 2.606 -11.587 6.663 561 1HA GLY 74 2HA GLY 74 4.339 -9.722 8.054 562 2HA GLY 74 1HA GLY 74 2.626 -9.508 7.719 563 H ILE 75 H ILE 75 3.456 -7.289 7.232 564 HA ILE 75 HA ILE 75 3.474 -6.861 4.452 565 HB ILE 75 HB ILE 75 4.399 -4.865 6.504 566 1HG1 ILE 75 2HG1 ILE 75 1.819 -4.265 6.287 567 2HG1 ILE 75 1HG1 ILE 75 1.691 -5.987 5.966 568 1HG2 ILE 75 2HG2 ILE 75 4.103 -4.734 3.737 569 2HG2 ILE 75 1HG2 ILE 75 2.697 -3.895 4.393 570 3HG2 ILE 75 3HG2 ILE 75 4.322 -3.386 4.854 571 1HD1 ILE 75 1HD1 ILE 75 3.320 -5.339 8.296 572 2HD1 ILE 75 3HD1 ILE 75 1.636 -4.833 8.426 573 3HD1 ILE 75 2HD1 ILE 75 2.028 -6.522 8.101 574 H ILE 76 H ILE 76 5.124 -7.704 3.316 575 HA ILE 76 HA ILE 76 7.837 -7.694 4.158 576 HB ILE 76 HB ILE 76 6.940 -7.941 1.298 577 1HG1 ILE 76 1HG1 ILE 76 5.455 -9.376 2.551 578 2HG1 ILE 76 2HG1 ILE 76 6.659 -10.378 1.748 579 1HG2 ILE 76 2HG2 ILE 76 9.420 -8.006 2.388 580 2HG2 ILE 76 1HG2 ILE 76 8.992 -9.718 2.411 581 3HG2 ILE 76 3HG2 ILE 76 8.962 -8.821 0.892 582 1HD1 ILE 76 2HD1 ILE 76 6.966 -9.507 4.598 583 2HD1 ILE 76 1HD1 ILE 76 6.069 -10.956 4.144 584 3HD1 ILE 76 3HD1 ILE 76 7.783 -10.821 3.752 585 H ASP 77 H ASP 77 8.313 -5.523 4.685 586 HA ASP 77 HA ASP 77 8.449 -3.670 2.404 587 1HB ASP 77 2HB ASP 77 7.202 -3.120 4.645 588 2HB ASP 77 1HB ASP 77 8.825 -2.794 5.244 589 H TYR 78 H TYR 78 10.374 -3.368 1.522 590 HA TYR 78 HA TYR 78 12.769 -4.191 2.960 591 1HB TYR 78 2HB TYR 78 12.374 -3.300 0.097 592 2HB TYR 78 1HB TYR 78 13.901 -3.852 0.776 593 HD1 TYR 78 HD1 TYR 78 10.364 -4.993 0.392 594 HD2 TYR 78 HD2 TYR 78 14.476 -6.076 0.521 595 HE1 TYR 78 HE1 TYR 78 9.763 -7.312 -0.159 596 HE2 TYR 78 HE2 TYR 78 13.888 -8.399 -0.031 597 HH TYR 78 HH TYR 78 11.683 -9.868 0.299 598 H GLY 79 H GLY 79 11.019 -1.369 2.435 599 1HA GLY 79 2HA GLY 79 13.335 0.241 3.284 600 2HA GLY 79 1HA GLY 79 11.646 0.649 3.577 601 H ILE 80 H ILE 80 12.679 2.728 2.658 602 HA ILE 80 HA ILE 80 11.583 3.202 0.120 603 HB ILE 80 HB ILE 80 13.712 4.855 1.480 604 1HG1 ILE 80 1HG1 ILE 80 10.758 5.359 1.691 605 2HG1 ILE 80 2HG1 ILE 80 11.545 4.236 2.795 606 1HG2 ILE 80 2HG2 ILE 80 11.787 5.353 -0.754 607 2HG2 ILE 80 1HG2 ILE 80 12.363 6.687 0.245 608 3HG2 ILE 80 3HG2 ILE 80 13.511 5.706 -0.664 609 1HD1 ILE 80 3HD1 ILE 80 12.864 6.842 2.529 610 2HD1 ILE 80 2HD1 ILE 80 11.255 6.874 3.252 611 3HD1 ILE 80 1HD1 ILE 80 12.523 5.876 3.964 612 H ARG 81 H ARG 81 12.313 2.731 -1.838 613 HA ARG 81 HA ARG 81 15.073 1.857 -2.170 614 1HB ARG 81 2HB ARG 81 12.763 1.816 -4.121 615 2HB ARG 81 1HB ARG 81 14.340 1.081 -4.383 616 1HG ARG 81 2HG ARG 81 13.204 -0.753 -3.695 617 2HG ARG 81 1HG ARG 81 13.719 -0.152 -2.118 618 1HD ARG 81 2HD ARG 81 11.612 0.740 -1.638 619 2HD ARG 81 1HD ARG 81 11.107 0.688 -3.327 620 HE ARG 81 HE ARG 81 11.236 -1.586 -1.480 621 1HH1 ARG 81 2HH1 ARG 81 10.388 -0.269 -4.591 622 2HH1 ARG 81 1HH1 ARG 81 9.411 -1.625 -5.044 623 1HH2 ARG 81 1HH2 ARG 81 9.952 -3.378 -2.066 624 2HH2 ARG 81 2HH2 ARG 81 9.163 -3.393 -3.608 625 H LEU 82 H LEU 82 13.809 4.751 -2.047 626 HA LEU 82 HA LEU 82 14.317 6.802 -2.885 627 1HB LEU 82 2HB LEU 82 16.668 5.447 -2.753 628 2HB LEU 82 1HB LEU 82 16.632 5.868 -4.451 629 HG LEU 82 HG LEU 82 17.846 7.593 -3.424 630 1HD1 LEU 82 3HD1 LEU 82 15.755 8.216 -4.874 631 2HD1 LEU 82 2HD1 LEU 82 15.168 8.898 -3.357 632 3HD1 LEU 82 1HD1 LEU 82 16.686 9.469 -4.052 633 1HD2 LEU 82 1HD2 LEU 82 16.563 6.865 -1.122 634 2HD2 LEU 82 3HD2 LEU 82 17.634 8.255 -1.300 635 3HD2 LEU 82 2HD2 LEU 82 15.888 8.462 -1.440 636 H ASN 83 H ASN 83 12.494 5.238 -4.362 637 HA ASN 83 HA ASN 83 12.812 6.491 -6.976 638 1HB ASN 83 2HB ASN 83 13.091 3.655 -6.507 639 2HB ASN 83 1HB ASN 83 11.711 3.973 -7.553 640 1HD2 ASN 83 1HD2 ASN 83 12.165 5.555 -9.347 641 2HD2 ASN 83 2HD2 ASN 83 13.672 5.380 -10.172 642 H ARG 84 H ARG 84 11.160 7.831 -5.884 643 HA ARG 84 HA ARG 84 8.591 6.716 -5.316 644 1HB ARG 84 2HB ARG 84 9.678 9.508 -5.527 645 2HB ARG 84 1HB ARG 84 7.952 9.228 -5.365 646 1HG ARG 84 2HG ARG 84 8.499 9.476 -3.177 647 2HG ARG 84 1HG ARG 84 8.735 7.736 -3.338 648 1HD ARG 84 2HD ARG 84 11.096 8.005 -3.571 649 2HD ARG 84 1HD ARG 84 10.940 9.758 -3.685 650 HE ARG 84 HE ARG 84 10.881 8.153 -1.280 651 1HH1 ARG 84 2HH1 ARG 84 10.166 11.228 -2.748 652 2HH1 ARG 84 1HH1 ARG 84 10.174 12.093 -1.247 653 1HH2 ARG 84 2HH2 ARG 84 10.897 9.283 0.702 654 2HH2 ARG 84 1HH2 ARG 84 10.590 10.988 0.713 655 H SER 85 H SER 85 9.914 6.563 -8.097 656 HA SER 85 HA SER 85 7.627 7.614 -9.626 657 1HB SER 85 2HB SER 85 10.532 7.310 -10.328 658 2HB SER 85 1HB SER 85 9.309 7.333 -11.600 659 HG SER 85 HG SER 85 10.289 9.419 -10.925 660 H GLU 86 H GLU 86 8.554 4.884 -8.257 661 HA GLU 86 HA GLU 86 8.571 2.958 -10.312 662 1HB GLU 86 2HB GLU 86 8.047 2.904 -7.367 663 2HB GLU 86 1HB GLU 86 7.686 1.476 -8.326 664 1HG GLU 86 2HG GLU 86 10.337 2.656 -8.783 665 2HG GLU 86 1HG GLU 86 10.073 1.981 -7.176 666 H ARG 87 H ARG 87 6.651 1.110 -9.853 667 HA ARG 87 HA ARG 87 4.090 2.504 -10.167 668 1HB ARG 87 2HB ARG 87 3.571 0.789 -11.997 669 2HB ARG 87 1HB ARG 87 4.599 2.151 -12.414 670 1HG ARG 87 2HG ARG 87 6.090 0.712 -13.185 671 2HG ARG 87 1HG ARG 87 6.336 0.152 -11.531 672 1HD ARG 87 2HD ARG 87 5.062 -1.710 -11.823 673 2HD ARG 87 1HD ARG 87 4.001 -0.932 -12.998 674 HE ARG 87 HE ARG 87 6.190 -1.111 -14.441 675 1HH1 ARG 87 1HH1 ARG 87 4.828 -3.461 -12.263 676 2HH1 ARG 87 2HH1 ARG 87 5.454 -4.821 -13.132 677 1HH2 ARG 87 1HH2 ARG 87 7.017 -2.895 -15.595 678 2HH2 ARG 87 2HH2 ARG 87 6.699 -4.499 -15.028 679 H TRP 88 H TRP 88 2.812 1.777 -8.651 680 HA TRP 88 HA TRP 88 2.351 -1.060 -8.332 681 1HB TRP 88 2HB TRP 88 2.922 0.456 -5.805 682 2HB TRP 88 1HB TRP 88 2.923 -1.282 -6.079 683 HD1 TRP 88 HD1 TRP 88 5.186 1.689 -5.969 684 HE1 TRP 88 HE1 TRP 88 7.598 0.966 -6.510 685 HE3 TRP 88 HE3 TRP 88 4.259 -3.054 -7.640 686 HZ2 TRP 88 HZ2 TRP 88 8.930 -1.314 -7.511 687 HZ3 TRP 88 HZ3 TRP 88 6.157 -4.441 -8.369 688 HH2 TRP 88 HH2 TRP 88 8.443 -3.587 -8.306 689 H ASP 89 H ASP 89 1.109 -0.492 -5.673 690 HA ASP 89 HA ASP 89 -1.326 0.816 -6.678 691 1HB ASP 89 2HB ASP 89 -1.242 -0.896 -4.212 692 2HB ASP 89 1HB ASP 89 -2.602 -0.556 -5.279 693 H ALA 90 H ALA 90 -2.627 1.420 -4.377 694 HA ALA 90 HA ALA 90 -0.794 3.037 -2.764 695 1HB ALA 90 1HB ALA 90 -1.457 4.582 -4.445 696 2HB ALA 90 2HB ALA 90 -2.350 4.988 -2.979 697 3HB ALA 90 3HB ALA 90 -3.153 4.122 -4.289 698 H TYR 91 H TYR 91 -1.208 2.705 -0.683 699 HA TYR 91 HA TYR 91 -3.771 1.581 0.118 700 1HB TYR 91 2HB TYR 91 -1.077 1.837 1.395 701 2HB TYR 91 1HB TYR 91 -2.489 1.612 2.420 702 HD1 TYR 91 HD1 TYR 91 -4.026 -0.409 1.827 703 HD2 TYR 91 HD2 TYR 91 -0.003 -0.005 0.503 704 HE1 TYR 91 HE1 TYR 91 -3.922 -2.834 1.417 705 HE2 TYR 91 HE2 TYR 91 0.113 -2.425 0.094 706 HH TYR 91 HH TYR 91 -1.709 -4.293 -0.434 707 H CYS 92 H CYS 92 -5.351 2.992 0.507 708 HA CYS 92 HA CYS 92 -4.757 5.670 1.416 709 1HB CYS 92 2HB CYS 92 -7.387 4.322 0.788 710 2HB CYS 92 1HB CYS 92 -7.173 6.032 1.128 711 H TYR 93 H TYR 93 -6.173 6.597 3.175 712 HA TYR 93 HA TYR 93 -7.046 4.793 5.243 713 1HB TYR 93 2HB TYR 93 -4.650 4.787 5.657 714 2HB TYR 93 1HB TYR 93 -4.618 6.541 5.655 715 HD1 TYR 93 HD1 TYR 93 -6.348 7.622 7.422 716 HD2 TYR 93 HD2 TYR 93 -4.621 3.744 7.703 717 HE1 TYR 93 HE1 TYR 93 -6.745 7.630 9.848 718 HE2 TYR 93 HE2 TYR 93 -5.013 3.739 10.131 719 HH TYR 93 HH TYR 93 -7.027 5.416 11.673 720 H ASN 94 H ASN 94 -8.766 5.689 6.162 721 HA ASN 94 HA ASN 94 -8.853 8.589 6.547 722 1HB ASN 94 2HB ASN 94 -11.003 6.960 5.179 723 2HB ASN 94 1HB ASN 94 -11.235 8.606 5.759 724 1HD2 ASN 94 2HD2 ASN 94 -11.169 10.011 4.179 725 2HD2 ASN 94 1HD2 ASN 94 -10.130 9.953 2.798 726 HA PRO 95 HA PRO 95 -10.193 7.674 10.642 727 1HB PRO 95 2HB PRO 95 -12.217 9.811 10.149 728 2HB PRO 95 1HB PRO 95 -11.087 9.619 11.496 729 1HG PRO 95 2HG PRO 95 -10.624 11.404 9.570 730 2HG PRO 95 1HG PRO 95 -9.301 10.470 10.291 731 1HD PRO 95 2HD PRO 95 -10.601 10.173 7.629 732 2HD PRO 95 1HD PRO 95 -8.919 9.870 8.107 733 H HIS 96 H HIS 96 -12.591 8.088 8.093 734 HA HIS 96 HA HIS 96 -14.228 6.007 9.380 735 1HB HIS 96 2HB HIS 96 -15.327 8.214 9.534 736 2HB HIS 96 1HB HIS 96 -15.241 8.369 7.782 737 HD1 HIS 96 HD1 HIS 96 -17.076 6.563 10.496 738 HD2 HIS 96 HD2 HIS 96 -17.132 6.891 6.355 739 HE1 HIS 96 HE1 HIS 96 -19.220 5.469 9.765 740 HE2 HIS 96 HE2 HIS 96 -19.267 5.744 7.260 741 H ALA 97 H ALA 97 -12.912 7.372 6.457 742 HA ALA 97 HA ALA 97 -12.986 6.688 4.259 743 1HB ALA 97 1HB ALA 97 -12.430 4.005 4.432 744 2HB ALA 97 2HB ALA 97 -11.876 4.624 5.987 745 3HB ALA 97 3HB ALA 97 -11.245 5.310 4.491 746 H LYS 98 H LYS 98 -15.334 7.056 4.114 747 HA LYS 98 HA LYS 98 -17.179 4.921 4.421 748 1HB LYS 98 2HB LYS 98 -17.520 7.539 4.228 749 2HB LYS 98 1HB LYS 98 -17.715 7.160 2.522 750 1HG LYS 98 2HG LYS 98 -19.255 5.432 4.307 751 2HG LYS 98 1HG LYS 98 -19.706 7.137 4.377 752 1HD LYS 98 2HD LYS 98 -19.387 5.704 1.759 753 2HD LYS 98 1HD LYS 98 -20.901 5.647 2.663 754 1HE LYS 98 2HE LYS 98 -21.471 7.592 1.759 755 2HE LYS 98 1HE LYS 98 -20.116 8.344 2.602 756 1HZ LYS 98 2HZ LYS 98 -18.841 7.306 0.536 757 2HZ LYS 98 1HZ LYS 98 -20.352 7.541 -0.187 758 3HZ LYS 98 3HZ LYS 98 -19.529 8.851 0.497 No H/Q in entry = 758 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -11.769 2.688 6.761 2 H2 GLY 1 3H GLY 1 -12.202 2.565 8.392 3 H3 GLY 1 2H GLY 1 -12.297 4.057 7.602 4 1HA GLY 1 2HA GLY 1 -10.050 2.786 8.853 5 2HA GLY 1 1HA GLY 1 -10.301 4.481 8.462 6 H VAL 2 H VAL 2 -8.415 1.859 7.832 7 HA VAL 2 HA VAL 2 -7.387 3.100 5.390 8 HB VAL 2 HB VAL 2 -5.686 2.821 7.011 9 1HG1 VAL 2 3HG1 VAL 2 -7.194 0.597 7.829 10 2HG1 VAL 2 2HG1 VAL 2 -5.600 -0.013 7.388 11 3HG1 VAL 2 1HG1 VAL 2 -5.752 1.267 8.591 12 1HG2 VAL 2 1HG2 VAL 2 -5.541 0.671 4.912 13 2HG2 VAL 2 3HG2 VAL 2 -4.873 2.300 4.844 14 3HG2 VAL 2 2HG2 VAL 2 -4.183 1.109 5.947 15 H TYR 3 H TYR 3 -7.231 2.046 3.459 16 HA TYR 3 HA TYR 3 -7.902 -0.780 3.295 17 1HB TYR 3 2HB TYR 3 -9.583 -0.307 1.472 18 2HB TYR 3 1HB TYR 3 -10.094 0.141 3.095 19 HD1 TYR 3 HD1 TYR 3 -10.149 2.530 3.758 20 HD2 TYR 3 HD2 TYR 3 -9.316 1.337 -0.240 21 HE1 TYR 3 HE1 TYR 3 -10.630 4.814 2.983 22 HE2 TYR 3 HE2 TYR 3 -9.794 3.618 -1.026 23 HH TYR 3 HH TYR 3 -9.688 6.120 0.412 24 H HIS 4 H HIS 4 -7.936 -1.367 0.792 25 HA HIS 4 HA HIS 4 -5.368 -0.435 -0.222 26 1HB HIS 4 2HB HIS 4 -5.299 -2.706 -0.426 27 2HB HIS 4 1HB HIS 4 -7.046 -2.852 -0.583 28 HD1 HIS 4 HD1 HIS 4 -8.014 -2.947 -2.925 29 HD2 HIS 4 HD2 HIS 4 -3.932 -2.170 -2.871 30 HE1 HIS 4 HE1 HIS 4 -7.256 -3.164 -5.313 31 HE2 HIS 4 HE2 HIS 4 -4.762 -2.816 -5.233 32 H ARG 5 H ARG 5 -5.082 0.156 -2.451 33 HA ARG 5 HA ARG 5 -7.458 0.903 -3.952 34 1HB ARG 5 2HB ARG 5 -6.846 2.815 -2.400 35 2HB ARG 5 1HB ARG 5 -5.367 2.984 -3.334 36 1HG ARG 5 2HG ARG 5 -6.888 4.578 -4.177 37 2HG ARG 5 1HG ARG 5 -6.812 3.281 -5.371 38 1HD ARG 5 2HD ARG 5 -9.075 3.565 -5.242 39 2HD ARG 5 1HD ARG 5 -8.847 2.345 -3.989 40 HE ARG 5 HE ARG 5 -8.952 4.166 -2.356 41 1HH1 ARG 5 2HH1 ARG 5 -10.153 4.772 -5.569 42 2HH1 ARG 5 1HH1 ARG 5 -11.194 6.066 -5.075 43 1HH2 ARG 5 1HH2 ARG 5 -10.321 5.867 -1.696 44 2HH2 ARG 5 2HH2 ARG 5 -11.289 6.688 -2.874 45 H GLU 6 H GLU 6 -7.035 1.413 -6.159 46 HA GLU 6 HA GLU 6 -4.345 0.656 -7.090 47 1HB GLU 6 2HB GLU 6 -5.724 -1.225 -7.563 48 2HB GLU 6 1HB GLU 6 -7.029 -0.212 -8.160 49 1HG GLU 6 2HG GLU 6 -5.682 0.403 -10.089 50 2HG GLU 6 1HG GLU 6 -4.350 -0.579 -9.481 51 H ALA 7 H ALA 7 -4.141 1.273 -9.523 52 HA ALA 7 HA ALA 7 -4.634 4.117 -9.669 53 1HB ALA 7 3HB ALA 7 -3.053 4.188 -11.352 54 2HB ALA 7 2HB ALA 7 -2.506 2.814 -10.391 55 3HB ALA 7 1HB ALA 7 -3.397 2.544 -11.889 56 H ARG 8 H ARG 8 -5.706 5.185 -11.385 57 HA ARG 8 HA ARG 8 -8.164 4.050 -12.139 58 1HB ARG 8 2HB ARG 8 -6.683 6.543 -12.774 59 2HB ARG 8 1HB ARG 8 -7.954 6.073 -13.895 60 1HG ARG 8 2HG ARG 8 -8.375 6.346 -10.930 61 2HG ARG 8 1HG ARG 8 -8.650 7.651 -12.084 62 1HD ARG 8 2HD ARG 8 -9.965 4.963 -12.356 63 2HD ARG 8 1HD ARG 8 -10.670 6.262 -11.396 64 HE ARG 8 HE ARG 8 -9.997 6.828 -14.181 65 1HH1 ARG 8 2HH1 ARG 8 -12.420 6.182 -11.762 66 2HH1 ARG 8 1HH1 ARG 8 -13.730 6.768 -12.732 67 1HH2 ARG 8 1HH2 ARG 8 -11.716 7.601 -15.467 68 2HH2 ARG 8 2HH2 ARG 8 -13.329 7.574 -14.838 69 H SER 9 H SER 9 -5.046 3.773 -13.489 70 HA SER 9 HA SER 9 -6.087 2.917 -16.089 71 1HB SER 9 2HB SER 9 -3.335 3.632 -15.094 72 2HB SER 9 1HB SER 9 -3.562 2.763 -16.613 73 HG SER 9 HG SER 9 -3.817 4.697 -17.398 74 H GLY 10 H GLY 10 -4.630 1.709 -13.172 75 1HA GLY 10 2HA GLY 10 -4.122 -0.914 -14.341 76 2HA GLY 10 1HA GLY 10 -5.428 -0.823 -13.167 77 H LYS 11 H LYS 11 -3.981 -2.439 -12.107 78 HA LYS 11 HA LYS 11 -2.718 -1.311 -9.877 79 1HB LYS 11 2HB LYS 11 -3.578 -3.503 -9.650 80 2HB LYS 11 1HB LYS 11 -2.693 -4.084 -11.055 81 1HG LYS 11 2HG LYS 11 -0.641 -4.074 -9.893 82 2HG LYS 11 1HG LYS 11 -1.315 -3.133 -8.560 83 1HD LYS 11 2HD LYS 11 -2.047 -4.967 -7.525 84 2HD LYS 11 1HD LYS 11 -2.798 -5.580 -8.999 85 1HE LYS 11 2HE LYS 11 -0.407 -6.212 -9.704 86 2HE LYS 11 1HE LYS 11 0.003 -5.982 -8.005 87 1HZ LYS 11 2HZ LYS 11 -2.327 -7.599 -8.344 88 2HZ LYS 11 1HZ LYS 11 -0.984 -8.263 -9.129 89 3HZ LYS 11 3HZ LYS 11 -0.914 -7.919 -7.473 90 H TYR 12 H TYR 12 -0.501 -1.368 -9.231 91 HA TYR 12 HA TYR 12 1.700 -0.874 -9.512 92 1HB TYR 12 2HB TYR 12 1.277 -2.906 -11.695 93 2HB TYR 12 1HB TYR 12 2.853 -2.180 -11.403 94 HD1 TYR 12 HD1 TYR 12 1.046 -2.443 -8.379 95 HD2 TYR 12 HD2 TYR 12 3.373 -4.723 -11.114 96 HE1 TYR 12 HE1 TYR 12 1.482 -4.096 -6.617 97 HE2 TYR 12 HE2 TYR 12 3.817 -6.386 -9.358 98 HH TYR 12 HH TYR 12 3.614 -5.945 -6.313 99 H LYS 13 H LYS 13 0.136 1.104 -10.395 100 HA LYS 13 HA LYS 13 1.656 2.161 -12.652 101 1HB LYS 13 2HB LYS 13 -1.240 1.597 -12.578 102 2HB LYS 13 1HB LYS 13 -0.800 3.185 -13.184 103 1HG LYS 13 2HG LYS 13 0.928 1.666 -14.575 104 2HG LYS 13 1HG LYS 13 -0.399 0.519 -14.369 105 1HD LYS 13 2HD LYS 13 -1.688 2.847 -15.074 106 2HD LYS 13 1HD LYS 13 -0.221 2.889 -16.055 107 1HE LYS 13 2HE LYS 13 -1.886 0.405 -15.889 108 2HE LYS 13 1HE LYS 13 -2.325 1.710 -16.991 109 1HZ LYS 13 1HZ LYS 13 0.395 0.559 -16.983 110 2HZ LYS 13 3HZ LYS 13 -0.854 -0.146 -17.881 111 3HZ LYS 13 2HZ LYS 13 -0.374 1.444 -18.203 112 H LEU 14 H LEU 14 0.691 2.468 -9.567 113 HA LEU 14 HA LEU 14 0.443 5.397 -9.642 114 1HB LEU 14 2HB LEU 14 -0.438 3.280 -7.735 115 2HB LEU 14 1HB LEU 14 -0.104 4.882 -7.110 116 HG LEU 14 HG LEU 14 -1.977 4.523 -9.424 117 1HD1 LEU 14 3HD1 LEU 14 -2.503 3.053 -7.331 118 2HD1 LEU 14 2HD1 LEU 14 -2.996 4.591 -6.621 119 3HD1 LEU 14 1HD1 LEU 14 -3.778 4.007 -8.090 120 1HD2 LEU 14 1HD2 LEU 14 -0.967 6.738 -8.218 121 2HD2 LEU 14 3HD2 LEU 14 -2.503 6.676 -9.082 122 3HD2 LEU 14 2HD2 LEU 14 -2.472 6.510 -7.326 123 H THR 15 H THR 15 1.956 6.681 -8.779 124 HA THR 15 HA THR 15 4.309 5.387 -7.577 125 HB THR 15 HB THR 15 5.652 7.084 -8.386 126 HG1 THR 15 HG1 THR 15 4.780 8.931 -7.642 127 1HG2 THR 15 3HG2 THR 15 3.368 6.674 -10.279 128 2HG2 THR 15 2HG2 THR 15 4.685 7.768 -10.700 129 3HG2 THR 15 1HG2 THR 15 5.021 6.066 -10.376 130 H TYR 16 H TYR 16 5.257 6.306 -5.679 131 HA TYR 16 HA TYR 16 3.739 6.771 -3.541 132 1HB TYR 16 2HB TYR 16 6.150 6.677 -3.347 133 2HB TYR 16 1HB TYR 16 6.315 8.223 -4.173 134 HD1 TYR 16 HD1 TYR 16 4.847 6.682 -1.111 135 HD2 TYR 16 HD2 TYR 16 6.403 10.197 -2.943 136 HE1 TYR 16 HE1 TYR 16 4.745 7.849 1.051 137 HE2 TYR 16 HE2 TYR 16 6.308 11.370 -0.783 138 HH TYR 16 HH TYR 16 5.892 11.192 1.394 139 H ALA 17 H ALA 17 4.691 9.301 -5.834 140 HA ALA 17 HA ALA 17 3.356 11.406 -4.470 141 1HB ALA 17 2HB ALA 17 4.149 11.262 -7.377 142 2HB ALA 17 1HB ALA 17 3.767 12.720 -6.461 143 3HB ALA 17 3HB ALA 17 5.201 11.776 -6.058 144 H GLU 18 H GLU 18 2.450 9.352 -7.235 145 HA GLU 18 HA GLU 18 -0.046 10.596 -7.712 146 1HB GLU 18 2HB GLU 18 0.578 7.707 -8.286 147 2HB GLU 18 1HB GLU 18 -0.479 8.789 -9.173 148 1HG GLU 18 2HG GLU 18 1.618 10.131 -9.710 149 2HG GLU 18 1HG GLU 18 2.513 8.728 -9.129 150 H ALA 19 H ALA 19 0.815 7.561 -6.112 151 HA ALA 19 HA ALA 19 -1.574 6.653 -5.212 152 1HB ALA 19 2HB ALA 19 -0.084 5.194 -4.420 153 2HB ALA 19 3HB ALA 19 0.084 6.262 -3.027 154 3HB ALA 19 1HB ALA 19 1.195 6.410 -4.389 155 H LYS 20 H LYS 20 0.408 9.182 -3.719 156 HA LYS 20 HA LYS 20 -1.266 9.614 -1.477 157 1HB LYS 20 2HB LYS 20 1.191 10.333 -1.889 158 2HB LYS 20 1HB LYS 20 0.489 11.724 -2.699 159 1HG LYS 20 2HG LYS 20 -0.875 11.951 -0.477 160 2HG LYS 20 1HG LYS 20 0.451 10.991 0.184 161 1HD LYS 20 2HD LYS 20 2.030 12.634 -0.256 162 2HD LYS 20 1HD LYS 20 1.022 13.413 -1.478 163 1HE LYS 20 2HE LYS 20 1.116 14.774 0.527 164 2HE LYS 20 1HE LYS 20 -0.516 14.159 0.280 165 1HZ LYS 20 2HZ LYS 20 0.824 12.302 1.851 166 2HZ LYS 20 1HZ LYS 20 1.173 13.821 2.508 167 3HZ LYS 20 3HZ LYS 20 -0.435 13.332 2.316 168 H ALA 21 H ALA 21 -1.132 11.012 -4.706 169 HA ALA 21 HA ALA 21 -2.919 13.139 -4.283 170 1HB ALA 21 2HB ALA 21 -3.244 13.027 -6.772 171 2HB ALA 21 3HB ALA 21 -2.201 11.605 -6.769 172 3HB ALA 21 1HB ALA 21 -1.569 13.163 -6.236 173 H VAL 22 H VAL 22 -3.439 9.749 -5.032 174 HA VAL 22 HA VAL 22 -6.198 9.979 -5.667 175 HB VAL 22 HB VAL 22 -4.414 7.681 -4.957 176 1HG1 VAL 22 3HG1 VAL 22 -7.410 7.557 -5.261 177 2HG1 VAL 22 2HG1 VAL 22 -6.338 6.157 -5.277 178 3HG1 VAL 22 1HG1 VAL 22 -6.471 7.148 -3.824 179 1HG2 VAL 22 3HG2 VAL 22 -5.776 8.738 -7.371 180 2HG2 VAL 22 2HG2 VAL 22 -4.159 8.060 -7.187 181 3HG2 VAL 22 1HG2 VAL 22 -5.561 6.992 -7.249 182 H CYS 23 H CYS 23 -4.537 8.843 -2.726 183 HA CYS 23 HA CYS 23 -6.896 8.530 -1.209 184 1HB CYS 23 2HB CYS 23 -4.553 7.601 -0.716 185 2HB CYS 23 1HB CYS 23 -4.200 9.182 -0.031 186 H GLU 24 H GLU 24 -4.463 11.127 -1.256 187 HA GLU 24 HA GLU 24 -5.819 12.843 0.518 188 1HB GLU 24 2HB GLU 24 -3.458 13.145 -0.003 189 2HB GLU 24 1HB GLU 24 -3.849 13.486 -1.683 190 1HG GLU 24 2HG GLU 24 -5.106 15.487 -0.929 191 2HG GLU 24 1HG GLU 24 -4.545 15.167 0.711 192 H PHE 25 H PHE 25 -6.350 12.046 -2.768 193 HA PHE 25 HA PHE 25 -7.525 14.305 -3.834 194 1HB PHE 25 2HB PHE 25 -7.210 11.701 -4.640 195 2HB PHE 25 1HB PHE 25 -8.957 11.820 -4.469 196 HD1 PHE 25 HD1 PHE 25 -6.049 13.512 -6.038 197 HD2 PHE 25 HD2 PHE 25 -10.232 12.746 -6.168 198 HE1 PHE 25 HE1 PHE 25 -6.175 14.605 -8.236 199 HE2 PHE 25 HE2 PHE 25 -10.367 13.840 -8.369 200 HZ PHE 25 HZ PHE 25 -8.337 14.773 -9.405 201 H GLU 26 H GLU 26 -9.056 11.735 -1.938 202 HA GLU 26 HA GLU 26 -11.419 13.451 -1.597 203 1HB GLU 26 2HB GLU 26 -11.205 10.508 -0.966 204 2HB GLU 26 1HB GLU 26 -12.670 11.474 -1.090 205 1HG GLU 26 2HG GLU 26 -12.194 11.814 -3.487 206 2HG GLU 26 1HG GLU 26 -10.809 10.737 -3.332 207 H GLY 27 H GLY 27 -9.424 14.346 -0.127 208 1HA GLY 27 1HA GLY 27 -10.358 14.382 2.470 209 2HA GLY 27 2HA GLY 27 -8.727 14.836 2.003 210 H GLY 28 H GLY 28 -7.915 12.284 1.035 211 1HA GLY 28 2HA GLY 28 -7.731 10.011 1.887 212 2HA GLY 28 1HA GLY 28 -8.007 10.661 3.500 213 H HIS 29 H HIS 29 -5.989 9.305 3.816 214 HA HIS 29 HA HIS 29 -3.570 10.750 3.037 215 1HB HIS 29 2HB HIS 29 -3.032 9.888 5.611 216 2HB HIS 29 1HB HIS 29 -3.392 11.533 5.116 217 HD1 HIS 29 HD1 HIS 29 -6.370 11.527 4.777 218 HD2 HIS 29 HD2 HIS 29 -4.449 9.544 7.878 219 HE1 HIS 29 HE1 HIS 29 -8.096 11.285 6.590 220 HE2 HIS 29 HE2 HIS 29 -6.882 10.166 8.493 221 H LEU 30 H LEU 30 -1.800 9.506 2.669 222 HA LEU 30 HA LEU 30 -2.043 6.875 1.926 223 1HB LEU 30 2HB LEU 30 0.011 8.794 2.091 224 2HB LEU 30 1HB LEU 30 0.613 7.363 2.905 225 HG LEU 30 HG LEU 30 -0.570 7.283 0.142 226 1HD1 LEU 30 1HD1 LEU 30 1.855 8.498 0.921 227 2HD1 LEU 30 3HD1 LEU 30 2.267 6.969 0.141 228 3HD1 LEU 30 2HD1 LEU 30 1.281 8.157 -0.711 229 1HD2 LEU 30 3HD2 LEU 30 0.234 5.312 2.008 230 2HD2 LEU 30 2HD2 LEU 30 -0.308 5.089 0.343 231 3HD2 LEU 30 1HD2 LEU 30 1.407 5.309 0.689 232 H ALA 31 H ALA 31 -1.787 4.917 2.872 233 HA ALA 31 HA ALA 31 -1.940 4.824 5.759 234 1HB ALA 31 3HB ALA 31 -2.860 3.201 3.641 235 2HB ALA 31 2HB ALA 31 -1.748 2.221 4.598 236 3HB ALA 31 1HB ALA 31 -3.135 2.992 5.372 237 H THR 32 H THR 32 -0.503 3.600 7.084 238 HA THR 32 HA THR 32 2.223 3.467 5.983 239 HB THR 32 HB THR 32 3.062 3.725 8.226 240 HG1 THR 32 HG1 THR 32 1.431 4.075 9.938 241 1HG2 THR 32 2HG2 THR 32 0.942 5.659 7.367 242 2HG2 THR 32 1HG2 THR 32 1.837 5.917 8.865 243 3HG2 THR 32 3HG2 THR 32 2.696 5.834 7.328 244 H TYR 33 H TYR 33 3.506 1.952 7.766 245 HA TYR 33 HA TYR 33 2.748 -0.701 7.044 246 1HB TYR 33 2HB TYR 33 5.088 -0.191 7.302 247 2HB TYR 33 1HB TYR 33 4.837 0.364 8.949 248 HD1 TYR 33 HD1 TYR 33 4.298 -2.726 6.902 249 HD2 TYR 33 HD2 TYR 33 5.431 -1.061 10.650 250 HE1 TYR 33 HE1 TYR 33 4.812 -4.977 7.740 251 HE2 TYR 33 HE2 TYR 33 5.948 -3.310 11.499 252 HH TYR 33 HH TYR 33 5.456 -5.599 11.069 253 H LYS 34 H LYS 34 3.296 0.664 10.265 254 HA LYS 34 HA LYS 34 2.076 -1.250 11.782 255 1HB LYS 34 2HB LYS 34 2.208 1.734 12.191 256 2HB LYS 34 1HB LYS 34 1.549 0.647 13.404 257 1HG LYS 34 2HG LYS 34 4.112 -0.303 12.553 258 2HG LYS 34 1HG LYS 34 4.222 1.394 13.028 259 1HD LYS 34 2HD LYS 34 4.243 0.747 15.155 260 2HD LYS 34 1HD LYS 34 2.598 0.145 14.951 261 1HE LYS 34 2HE LYS 34 3.371 -2.029 14.394 262 2HE LYS 34 1HE LYS 34 5.035 -1.468 14.238 263 1HZ LYS 34 2HZ LYS 34 5.027 -0.983 16.625 264 2HZ LYS 34 1HZ LYS 34 3.459 -1.605 16.751 265 3HZ LYS 34 3HZ LYS 34 4.741 -2.620 16.315 266 H GLN 35 H GLN 35 0.543 1.461 10.099 267 HA GLN 35 HA GLN 35 -2.054 1.033 11.127 268 1HB GLN 35 2HB GLN 35 -1.098 2.370 8.593 269 2HB GLN 35 1HB GLN 35 -2.766 2.391 9.140 270 1HG GLN 35 2HG GLN 35 -2.071 3.530 11.193 271 2HG GLN 35 1HG GLN 35 -0.407 3.532 10.615 272 1HE2 GLN 35 1HE2 GLN 35 -1.475 5.886 11.273 273 2HE2 GLN 35 2HE2 GLN 35 -1.824 6.827 9.867 274 H LEU 36 H LEU 36 -0.591 0.158 7.998 275 HA LEU 36 HA LEU 36 -2.764 -1.318 7.028 276 1HB LEU 36 2HB LEU 36 -0.237 -0.655 6.111 277 2HB LEU 36 1HB LEU 36 -0.163 -2.399 6.259 278 HG LEU 36 HG LEU 36 -0.837 -1.493 3.994 279 1HD1 LEU 36 2HD1 LEU 36 -1.500 -3.789 5.250 280 2HD1 LEU 36 1HD1 LEU 36 -3.100 -3.162 4.856 281 3HD1 LEU 36 3HD1 LEU 36 -1.916 -3.422 3.576 282 1HD2 LEU 36 1HD2 LEU 36 -2.524 0.103 5.382 283 2HD2 LEU 36 3HD2 LEU 36 -2.717 -0.303 3.676 284 3HD2 LEU 36 2HD2 LEU 36 -3.615 -1.198 4.902 285 H GLU 37 H GLU 37 -0.496 -1.970 9.487 286 HA GLU 37 HA GLU 37 -0.619 -4.821 9.441 287 1HB GLU 37 2HB GLU 37 1.215 -3.517 10.514 288 2HB GLU 37 1HB GLU 37 0.077 -2.994 11.746 289 1HG GLU 37 2HG GLU 37 1.044 -4.741 12.826 290 2HG GLU 37 1HG GLU 37 -0.292 -5.575 12.033 291 H ALA 38 H ALA 38 -1.929 -2.466 11.754 292 HA ALA 38 HA ALA 38 -3.613 -4.230 13.092 293 1HB ALA 38 3HB ALA 38 -4.032 -2.447 14.359 294 2HB ALA 38 2HB ALA 38 -2.991 -1.524 13.275 295 3HB ALA 38 1HB ALA 38 -4.732 -1.568 12.999 296 H ALA 39 H ALA 39 -3.848 -2.959 9.967 297 HA ALA 39 HA ALA 39 -6.746 -3.328 9.799 298 1HB ALA 39 2HB ALA 39 -4.832 -2.458 7.636 299 2HB ALA 39 1HB ALA 39 -6.591 -2.339 7.614 300 3HB ALA 39 3HB ALA 39 -5.655 -1.349 8.735 301 H ARG 40 H ARG 40 -3.734 -4.761 8.921 302 HA ARG 40 HA ARG 40 -4.736 -6.639 7.026 303 1HB ARG 40 2HB ARG 40 -2.426 -6.061 6.914 304 2HB ARG 40 1HB ARG 40 -2.192 -6.413 8.622 305 1HG ARG 40 2HG ARG 40 -2.751 -8.821 8.054 306 2HG ARG 40 1HG ARG 40 -2.592 -8.351 6.361 307 1HD ARG 40 2HD ARG 40 -0.340 -8.106 6.496 308 2HD ARG 40 1HD ARG 40 -0.388 -7.579 8.176 309 HE ARG 40 HE ARG 40 -0.015 -10.243 7.224 310 1HH1 ARG 40 2HH1 ARG 40 -1.311 -8.351 9.845 311 2HH1 ARG 40 1HH1 ARG 40 -1.136 -9.615 11.015 312 1HH2 ARG 40 2HH2 ARG 40 0.220 -11.915 8.758 313 2HH2 ARG 40 1HH2 ARG 40 -0.265 -11.640 10.398 314 H LYS 41 H LYS 41 -4.228 -6.559 10.484 315 HA LYS 41 HA LYS 41 -4.560 -9.336 10.928 316 1HB LYS 41 2HB LYS 41 -5.113 -7.158 12.933 317 2HB LYS 41 1HB LYS 41 -4.614 -8.814 13.251 318 1HG LYS 41 2HG LYS 41 -2.504 -8.132 11.871 319 2HG LYS 41 1HG LYS 41 -3.003 -6.497 12.309 320 1HD LYS 41 2HD LYS 41 -2.843 -6.978 14.631 321 2HD LYS 41 1HD LYS 41 -2.658 -8.707 14.324 322 1HE LYS 41 2HE LYS 41 -0.504 -8.312 13.274 323 2HE LYS 41 1HE LYS 41 -0.692 -6.573 13.500 324 1HZ LYS 41 1HZ LYS 41 -1.038 -7.839 15.977 325 2HZ LYS 41 3HZ LYS 41 0.386 -8.434 15.280 326 3HZ LYS 41 2HZ LYS 41 0.185 -6.770 15.505 327 H ILE 42 H ILE 42 -6.771 -6.813 10.262 328 HA ILE 42 HA ILE 42 -9.033 -8.133 11.510 329 HB ILE 42 HB ILE 42 -10.336 -6.286 10.831 330 1HG1 ILE 42 2HG1 ILE 42 -8.359 -4.857 9.222 331 2HG1 ILE 42 1HG1 ILE 42 -8.841 -6.389 8.506 332 1HG2 ILE 42 3HG2 ILE 42 -7.540 -5.465 11.573 333 2HG2 ILE 42 2HG2 ILE 42 -8.864 -4.303 11.450 334 3HG2 ILE 42 1HG2 ILE 42 -8.955 -5.622 12.617 335 1HD1 ILE 42 3HD1 ILE 42 -11.247 -5.574 8.936 336 2HD1 ILE 42 2HD1 ILE 42 -10.505 -3.982 9.100 337 3HD1 ILE 42 1HD1 ILE 42 -10.335 -4.883 7.593 338 H GLY 43 H GLY 43 -7.370 -8.209 8.538 339 1HA GLY 43 1HA GLY 43 -9.682 -9.466 7.201 340 2HA GLY 43 2HA GLY 43 -8.105 -10.243 7.215 341 H PHE 44 H PHE 44 -7.055 -7.302 7.043 342 HA PHE 44 HA PHE 44 -7.771 -6.588 4.332 343 1HB PHE 44 2HB PHE 44 -7.312 -4.871 6.073 344 2HB PHE 44 1HB PHE 44 -5.635 -5.400 6.115 345 HD1 PHE 44 HD1 PHE 44 -6.480 -5.770 2.819 346 HD2 PHE 44 HD2 PHE 44 -5.805 -2.700 5.690 347 HE1 PHE 44 HE1 PHE 44 -5.929 -4.199 1.004 348 HE2 PHE 44 HE2 PHE 44 -5.258 -1.126 3.878 349 HZ PHE 44 HZ PHE 44 -5.323 -1.875 1.537 350 H HIS 45 H HIS 45 -7.059 -8.185 2.970 351 HA HIS 45 HA HIS 45 -4.147 -8.629 2.894 352 1HB HIS 45 2HB HIS 45 -5.433 -10.678 3.391 353 2HB HIS 45 1HB HIS 45 -6.340 -10.463 1.899 354 HD1 HIS 45 HD1 HIS 45 -4.453 -12.932 2.653 355 HD2 HIS 45 HD2 HIS 45 -3.528 -9.789 0.097 356 HE1 HIS 45 HE1 HIS 45 -2.659 -13.810 1.125 357 HE2 HIS 45 HE2 HIS 45 -2.180 -11.922 -0.468 358 H VAL 46 H VAL 46 -3.102 -7.890 1.172 359 HA VAL 46 HA VAL 46 -4.451 -7.712 -1.397 360 HB VAL 46 HB VAL 46 -4.967 -5.541 -0.947 361 1HG1 VAL 46 3HG1 VAL 46 -4.178 -5.596 1.359 362 2HG1 VAL 46 2HG1 VAL 46 -2.529 -5.311 0.805 363 3HG1 VAL 46 1HG1 VAL 46 -3.764 -4.070 0.575 364 1HG2 VAL 46 3HG2 VAL 46 -3.371 -5.516 -2.812 365 2HG2 VAL 46 2HG2 VAL 46 -3.354 -4.015 -1.887 366 3HG2 VAL 46 1HG2 VAL 46 -2.066 -5.200 -1.669 367 H CYS 47 H CYS 47 -3.087 -9.085 -2.393 368 HA CYS 47 HA CYS 47 -0.253 -9.033 -1.993 369 1HB CYS 47 2HB CYS 47 -1.364 -11.128 -2.530 370 2HB CYS 47 1HB CYS 47 -1.949 -10.460 -4.051 371 H ALA 48 H ALA 48 -0.315 -6.607 -2.524 372 HA ALA 48 HA ALA 48 0.859 -6.282 -5.122 373 1HB ALA 48 1HB ALA 48 -1.574 -6.129 -5.621 374 2HB ALA 48 2HB ALA 48 -0.669 -4.669 -6.023 375 3HB ALA 48 3HB ALA 48 -1.658 -4.721 -4.563 376 H ALA 49 H ALA 49 2.563 -5.049 -4.740 377 HA ALA 49 HA ALA 49 3.289 -3.758 -2.491 378 1HB ALA 49 2HB ALA 49 5.070 -3.367 -3.752 379 2HB ALA 49 1HB ALA 49 4.141 -3.717 -5.209 380 3HB ALA 49 3HB ALA 49 4.195 -2.073 -4.572 381 H GLY 50 H GLY 50 2.462 -2.181 -1.295 382 1HA GLY 50 2HA GLY 50 0.414 -0.765 -1.112 383 2HA GLY 50 1HA GLY 50 0.888 -0.087 -2.660 384 H TRP 51 H TRP 51 1.720 1.860 -2.495 385 HA TRP 51 HA TRP 51 3.969 2.546 -1.040 386 1HB TRP 51 2HB TRP 51 1.755 4.178 -2.246 387 2HB TRP 51 1HB TRP 51 3.072 4.951 -1.369 388 HD1 TRP 51 HD1 TRP 51 2.193 3.545 -4.710 389 HE1 TRP 51 HE1 TRP 51 4.254 3.632 -6.265 390 HE3 TRP 51 HE3 TRP 51 5.771 4.679 -1.245 391 HZ2 TRP 51 HZ2 TRP 51 7.031 4.121 -6.037 392 HZ3 TRP 51 HZ3 TRP 51 8.101 4.939 -1.985 393 HH2 TRP 51 HH2 TRP 51 8.719 4.664 -4.333 394 H MET 52 H MET 52 4.178 4.169 0.673 395 HA MET 52 HA MET 52 1.991 4.500 2.521 396 1HB MET 52 2HB MET 52 3.385 3.544 4.433 397 2HB MET 52 1HB MET 52 2.621 2.386 3.354 398 1HG MET 52 2HG MET 52 5.287 3.112 2.478 399 2HG MET 52 1HG MET 52 5.271 2.437 4.106 400 1HE MET 52 2HE MET 52 4.017 0.205 4.705 401 2HE MET 52 1HE MET 52 2.585 0.448 3.705 402 3HE MET 52 3HE MET 52 3.541 -1.023 3.533 403 H ALA 53 H ALA 53 2.903 5.649 4.588 404 HA ALA 53 HA ALA 53 3.956 8.091 3.828 405 1HB ALA 53 3HB ALA 53 4.549 8.282 6.333 406 2HB ALA 53 1HB ALA 53 3.779 6.702 6.475 407 3HB ALA 53 2HB ALA 53 2.858 8.081 5.875 408 H LYS 54 H LYS 54 6.003 9.100 4.445 409 HA LYS 54 HA LYS 54 8.276 9.219 4.654 410 1HB LYS 54 2HB LYS 54 8.175 6.214 4.946 411 2HB LYS 54 1HB LYS 54 9.597 7.214 5.195 412 1HG LYS 54 2HG LYS 54 8.543 8.308 7.077 413 2HG LYS 54 1HG LYS 54 7.056 7.403 6.798 414 1HD LYS 54 2HD LYS 54 7.851 5.876 8.214 415 2HD LYS 54 1HD LYS 54 9.018 5.448 6.961 416 1HE LYS 54 2HE LYS 54 10.570 5.965 8.485 417 2HE LYS 54 1HE LYS 54 10.181 7.642 8.099 418 1HZ LYS 54 2HZ LYS 54 8.350 6.645 10.001 419 2HZ LYS 54 1HZ LYS 54 9.927 6.373 10.548 420 3HZ LYS 54 3HZ LYS 54 9.429 7.939 10.144 421 H GLY 55 H GLY 55 6.829 6.889 2.482 422 1HA GLY 55 1HA GLY 55 8.916 7.567 0.504 423 2HA GLY 55 2HA GLY 55 7.236 7.234 0.098 424 H ARG 56 H ARG 56 7.254 5.021 2.141 425 HA ARG 56 HA ARG 56 8.968 3.071 0.785 426 1HB ARG 56 2HB ARG 56 7.762 3.282 3.486 427 2HB ARG 56 1HB ARG 56 7.897 1.663 2.813 428 1HG ARG 56 2HG ARG 56 10.197 1.706 2.812 429 2HG ARG 56 1HG ARG 56 10.269 3.469 2.778 430 1HD ARG 56 2HD ARG 56 9.156 3.304 5.116 431 2HD ARG 56 1HD ARG 56 9.737 1.641 5.085 432 HE ARG 56 HE ARG 56 11.841 3.398 4.425 433 1HH1 ARG 56 2HH1 ARG 56 9.897 2.384 7.131 434 2HH1 ARG 56 1HH1 ARG 56 11.123 2.722 8.306 435 1HH2 ARG 56 2HH2 ARG 56 13.463 3.846 5.963 436 2HH2 ARG 56 1HH2 ARG 56 13.152 3.553 7.641 437 H VAL 57 H VAL 57 8.065 0.939 0.309 438 HA VAL 57 HA VAL 57 5.186 0.784 -0.012 439 HB VAL 57 HB VAL 57 5.499 1.701 -2.094 440 1HG1 VAL 57 1HG1 VAL 57 8.227 0.645 -1.831 441 2HG1 VAL 57 3HG1 VAL 57 7.591 0.711 -3.475 442 3HG1 VAL 57 2HG1 VAL 57 7.655 2.177 -2.495 443 1HG2 VAL 57 1HG2 VAL 57 5.823 -1.270 -2.331 444 2HG2 VAL 57 3HG2 VAL 57 4.382 -0.286 -2.592 445 3HG2 VAL 57 2HG2 VAL 57 5.701 -0.245 -3.762 446 H GLY 58 H GLY 58 4.835 -1.066 1.048 447 1HA GLY 58 2HA GLY 58 5.672 -3.143 1.973 448 2HA GLY 58 1HA GLY 58 6.631 -3.345 0.515 449 H TYR 59 H TYR 59 5.099 -5.418 1.368 450 HA TYR 59 HA TYR 59 2.671 -5.354 -0.275 451 1HB TYR 59 2HB TYR 59 4.088 -7.894 -0.507 452 2HB TYR 59 1HB TYR 59 3.371 -6.886 -1.762 453 HD1 TYR 59 HD1 TYR 59 4.707 -4.884 -2.597 454 HD2 TYR 59 HD2 TYR 59 6.417 -7.976 -0.227 455 HE1 TYR 59 HE1 TYR 59 6.950 -4.212 -3.348 456 HE2 TYR 59 HE2 TYR 59 8.665 -7.309 -0.969 457 HH TYR 59 HH TYR 59 9.183 -4.428 -2.903 458 HA PRO 60 HA PRO 60 1.776 -7.173 3.872 459 1HB PRO 60 2HB PRO 60 -0.901 -6.142 3.193 460 2HB PRO 60 1HB PRO 60 0.073 -5.868 4.638 461 1HG PRO 60 2HG PRO 60 -0.317 -3.946 2.801 462 2HG PRO 60 1HG PRO 60 1.200 -4.091 3.704 463 1HD PRO 60 1HD PRO 60 0.582 -4.889 0.893 464 2HD PRO 60 2HD PRO 60 2.063 -4.179 1.568 465 H ILE 61 H ILE 61 1.232 -9.256 4.050 466 HA ILE 61 HA ILE 61 -0.900 -10.342 2.360 467 HB ILE 61 HB ILE 61 1.769 -11.722 2.664 468 1HG1 ILE 61 1HG1 ILE 61 1.686 -9.638 1.170 469 2HG1 ILE 61 2HG1 ILE 61 2.289 -11.124 0.443 470 1HG2 ILE 61 2HG2 ILE 61 -0.247 -13.175 2.468 471 2HG2 ILE 61 1HG2 ILE 61 -0.569 -12.433 0.900 472 3HG2 ILE 61 3HG2 ILE 61 0.909 -13.364 1.149 473 1HD1 ILE 61 3HD1 ILE 61 -0.450 -11.151 -0.035 474 2HD1 ILE 61 2HD1 ILE 61 0.059 -9.485 -0.320 475 3HD1 ILE 61 1HD1 ILE 61 0.837 -10.807 -1.190 476 H VAL 62 H VAL 62 -2.333 -11.233 3.685 477 HA VAL 62 HA VAL 62 -1.511 -12.167 6.318 478 HB VAL 62 HB VAL 62 -4.332 -12.485 5.497 479 1HG1 VAL 62 3HG1 VAL 62 -2.777 -12.134 7.883 480 2HG1 VAL 62 2HG1 VAL 62 -4.054 -10.920 7.809 481 3HG1 VAL 62 1HG1 VAL 62 -4.459 -12.633 7.710 482 1HG2 VAL 62 1HG2 VAL 62 -3.035 -9.773 5.710 483 2HG2 VAL 62 3HG2 VAL 62 -3.915 -10.439 4.334 484 3HG2 VAL 62 2HG2 VAL 62 -4.773 -10.048 5.824 485 H LYS 63 H LYS 63 -2.120 -13.438 3.227 486 HA LYS 63 HA LYS 63 -1.974 -16.157 4.300 487 1HB LYS 63 2HB LYS 63 -4.386 -15.362 3.673 488 2HB LYS 63 1HB LYS 63 -3.840 -15.602 2.020 489 1HG LYS 63 2HG LYS 63 -3.730 -17.872 2.235 490 2HG LYS 63 1HG LYS 63 -3.426 -17.803 3.972 491 1HD LYS 63 2HD LYS 63 -5.875 -16.780 3.974 492 2HD LYS 63 1HD LYS 63 -5.995 -17.712 2.482 493 1HE LYS 63 2HE LYS 63 -6.491 -19.465 3.761 494 2HE LYS 63 1HE LYS 63 -4.797 -19.465 4.247 495 1HZ LYS 63 1HZ LYS 63 -5.929 -17.593 5.859 496 2HZ LYS 63 3HZ LYS 63 -7.126 -18.786 5.767 497 3HZ LYS 63 2HZ LYS 63 -5.571 -19.187 6.298 498 HA PRO 64 HA PRO 64 1.203 -15.627 1.045 499 1HB PRO 64 2HB PRO 64 2.612 -17.834 1.910 500 2HB PRO 64 1HB PRO 64 2.864 -16.189 2.495 501 1HG PRO 64 2HG PRO 64 1.319 -18.426 3.727 502 2HG PRO 64 1HG PRO 64 2.350 -17.211 4.503 503 1HD PRO 64 2HD PRO 64 -0.339 -17.048 4.549 504 2HD PRO 64 1HD PRO 64 0.691 -15.603 4.477 505 H GLY 65 H GLY 65 0.980 -16.435 -0.939 506 1HA GLY 65 2HA GLY 65 -0.427 -17.785 -2.395 507 2HA GLY 65 1HA GLY 65 -0.287 -19.086 -1.223 508 HA PRO 66 HA PRO 66 2.760 -20.550 -4.161 509 1HB PRO 66 2HB PRO 66 2.322 -19.760 -6.731 510 2HB PRO 66 1HB PRO 66 1.370 -21.011 -5.926 511 1HG PRO 66 2HG PRO 66 0.725 -18.119 -6.355 512 2HG PRO 66 1HG PRO 66 -0.325 -19.537 -6.528 513 1HD PRO 66 2HD PRO 66 -0.396 -17.945 -4.347 514 2HD PRO 66 1HD PRO 66 -0.702 -19.691 -4.255 515 H ASN 67 H ASN 67 2.433 -17.757 -6.272 516 HA ASN 67 HA ASN 67 5.179 -16.977 -5.564 517 1HB ASN 67 2HB ASN 67 4.672 -15.637 -7.877 518 2HB ASN 67 1HB ASN 67 5.413 -17.232 -7.802 519 1HD2 ASN 67 2HD2 ASN 67 2.150 -15.837 -7.676 520 2HD2 ASN 67 1HD2 ASN 67 1.444 -16.965 -8.777 521 H CYS 68 H CYS 68 1.890 -15.901 -5.711 522 HA CYS 68 HA CYS 68 2.296 -13.121 -5.660 523 1HB CYS 68 2HB CYS 68 0.108 -14.670 -5.845 524 2HB CYS 68 1HB CYS 68 -0.001 -14.230 -4.144 525 H GLY 69 H GLY 69 1.971 -15.486 -3.047 526 1HA GLY 69 1HA GLY 69 2.027 -15.049 -0.722 527 2HA GLY 69 2HA GLY 69 2.555 -13.407 -1.070 528 H PHE 70 H PHE 70 4.059 -16.092 -2.672 529 HA PHE 70 HA PHE 70 6.160 -16.961 -2.593 530 1HB PHE 70 2HB PHE 70 6.578 -14.181 -1.553 531 2HB PHE 70 1HB PHE 70 7.916 -15.324 -1.547 532 HD1 PHE 70 HD1 PHE 70 7.634 -16.776 -4.012 533 HD2 PHE 70 HD2 PHE 70 6.953 -12.650 -3.223 534 HE1 PHE 70 HE1 PHE 70 8.098 -16.253 -6.371 535 HE2 PHE 70 HE2 PHE 70 7.414 -12.119 -5.581 536 HZ PHE 70 HZ PHE 70 7.989 -13.921 -7.158 537 H GLY 71 H GLY 71 4.278 -17.330 -0.317 538 1HA GLY 71 1HA GLY 71 5.975 -18.830 1.368 539 2HA GLY 71 2HA GLY 71 4.289 -18.445 1.692 540 H LYS 72 H LYS 72 5.205 -15.504 1.334 541 HA LYS 72 HA LYS 72 6.877 -15.013 3.610 542 1HB LYS 72 2HB LYS 72 5.185 -13.097 1.996 543 2HB LYS 72 1HB LYS 72 6.425 -12.641 3.158 544 1HG LYS 72 2HG LYS 72 7.051 -14.353 0.777 545 2HG LYS 72 1HG LYS 72 7.037 -12.590 0.684 546 1HD LYS 72 2HD LYS 72 8.531 -13.556 2.976 547 2HD LYS 72 1HD LYS 72 9.169 -14.180 1.454 548 1HE LYS 72 2HE LYS 72 9.859 -12.145 0.753 549 2HE LYS 72 1HE LYS 72 8.490 -11.311 1.488 550 1HZ LYS 72 3HZ LYS 72 10.328 -12.454 3.391 551 2HZ LYS 72 2HZ LYS 72 11.016 -11.252 2.421 552 3HZ LYS 72 1HZ LYS 72 9.641 -10.908 3.343 553 H THR 73 H THR 73 6.169 -13.535 5.384 554 HA THR 73 HA THR 73 3.377 -14.036 6.167 555 HB THR 73 HB THR 73 4.646 -13.897 8.569 556 HG1 THR 73 HG1 THR 73 6.306 -15.773 7.556 557 1HG2 THR 73 2HG2 THR 73 2.943 -15.538 7.836 558 2HG2 THR 73 1HG2 THR 73 4.203 -16.423 6.976 559 3HG2 THR 73 3HG2 THR 73 4.264 -16.284 8.733 560 H GLY 74 H GLY 74 2.279 -12.289 6.828 561 1HA GLY 74 2HA GLY 74 3.493 -10.084 8.175 562 2HA GLY 74 1HA GLY 74 1.836 -10.159 7.589 563 H ILE 75 H ILE 75 3.164 -7.803 7.396 564 HA ILE 75 HA ILE 75 3.109 -7.344 4.568 565 HB ILE 75 HB ILE 75 3.907 -5.424 6.757 566 1HG1 ILE 75 1HG1 ILE 75 1.226 -6.088 5.538 567 2HG1 ILE 75 2HG1 ILE 75 1.689 -6.168 7.233 568 1HG2 ILE 75 3HG2 ILE 75 3.983 -5.215 3.933 569 2HG2 ILE 75 2HG2 ILE 75 2.682 -4.177 4.517 570 3HG2 ILE 75 1HG2 ILE 75 4.321 -3.972 5.137 571 1HD1 ILE 75 3HD1 ILE 75 2.104 -3.515 6.361 572 2HD1 ILE 75 2HD1 ILE 75 0.507 -4.024 5.815 573 3HD1 ILE 75 1HD1 ILE 75 0.927 -4.122 7.525 574 H ILE 76 H ILE 76 4.747 -7.427 3.197 575 HA ILE 76 HA ILE 76 7.458 -7.713 4.239 576 HB ILE 76 HB ILE 76 6.590 -7.956 1.363 577 1HG1 ILE 76 2HG1 ILE 76 5.281 -9.607 2.388 578 2HG1 ILE 76 1HG1 ILE 76 6.739 -10.481 1.933 579 1HG2 ILE 76 3HG2 ILE 76 9.099 -7.919 2.561 580 2HG2 ILE 76 2HG2 ILE 76 8.779 -9.621 2.234 581 3HG2 ILE 76 1HG2 ILE 76 8.712 -8.444 0.923 582 1HD1 ILE 76 3HD1 ILE 76 7.569 -10.160 4.254 583 2HD1 ILE 76 2HD1 ILE 76 5.996 -9.474 4.663 584 3HD1 ILE 76 1HD1 ILE 76 6.116 -11.150 4.127 585 H ASP 77 H ASP 77 7.671 -5.481 4.862 586 HA ASP 77 HA ASP 77 8.015 -3.633 2.597 587 1HB ASP 77 2HB ASP 77 6.422 -3.151 4.632 588 2HB ASP 77 1HB ASP 77 7.920 -2.706 5.444 589 H TYR 78 H TYR 78 10.025 -3.194 2.015 590 HA TYR 78 HA TYR 78 12.235 -3.949 3.733 591 1HB TYR 78 2HB TYR 78 12.216 -2.803 0.932 592 2HB TYR 78 1HB TYR 78 13.640 -3.402 1.778 593 HD1 TYR 78 HD1 TYR 78 10.182 -4.654 1.069 594 HD2 TYR 78 HD2 TYR 78 14.357 -5.473 1.082 595 HE1 TYR 78 HE1 TYR 78 9.734 -6.915 0.212 596 HE2 TYR 78 HE2 TYR 78 13.922 -7.735 0.222 597 HH TYR 78 HH TYR 78 11.464 -8.696 -1.270 598 H GLY 79 H GLY 79 11.872 -1.055 1.692 599 1HA GLY 79 2HA GLY 79 13.491 0.537 3.396 600 2HA GLY 79 1HA GLY 79 11.786 0.874 3.689 601 H ILE 80 H ILE 80 12.625 3.044 2.920 602 HA ILE 80 HA ILE 80 11.591 3.623 0.396 603 HB ILE 80 HB ILE 80 13.610 5.248 1.946 604 1HG1 ILE 80 1HG1 ILE 80 10.613 5.585 1.950 605 2HG1 ILE 80 2HG1 ILE 80 11.441 4.571 3.127 606 1HG2 ILE 80 1HG2 ILE 80 12.323 5.649 -0.595 607 2HG2 ILE 80 3HG2 ILE 80 11.861 6.914 0.543 608 3HG2 ILE 80 2HG2 ILE 80 13.565 6.617 0.198 609 1HD1 ILE 80 1HD1 ILE 80 12.427 7.338 2.808 610 2HD1 ILE 80 3HD1 ILE 80 10.860 7.114 3.584 611 3HD1 ILE 80 2HD1 ILE 80 12.294 6.335 4.252 612 H ARG 81 H ARG 81 12.365 2.805 -1.444 613 HA ARG 81 HA ARG 81 15.213 2.385 -1.804 614 1HB ARG 81 2HB ARG 81 12.917 1.863 -3.701 615 2HB ARG 81 1HB ARG 81 14.577 1.329 -3.921 616 1HG ARG 81 2HG ARG 81 13.189 0.523 -1.428 617 2HG ARG 81 1HG ARG 81 12.708 -0.257 -2.936 618 1HD ARG 81 2HD ARG 81 15.316 -0.504 -3.237 619 2HD ARG 81 1HD ARG 81 15.301 -0.366 -1.480 620 HE ARG 81 HE ARG 81 13.880 -2.333 -1.423 621 1HH1 ARG 81 1HH1 ARG 81 15.503 -1.647 -4.427 622 2HH1 ARG 81 2HH1 ARG 81 15.408 -3.278 -5.001 623 1HH2 ARG 81 1HH2 ARG 81 13.748 -4.483 -2.169 624 2HH2 ARG 81 2HH2 ARG 81 14.409 -4.891 -3.718 625 H LEU 82 H LEU 82 13.721 5.099 -1.766 626 HA LEU 82 HA LEU 82 13.860 7.119 -2.806 627 1HB LEU 82 2HB LEU 82 16.376 6.095 -2.634 628 2HB LEU 82 1HB LEU 82 16.261 6.407 -4.352 629 HG LEU 82 HG LEU 82 17.296 8.259 -3.057 630 1HD1 LEU 82 3HD1 LEU 82 16.180 8.641 -5.222 631 2HD1 LEU 82 2HD1 LEU 82 14.681 8.992 -4.363 632 3HD1 LEU 82 1HD1 LEU 82 16.083 10.038 -4.151 633 1HD2 LEU 82 2HD2 LEU 82 14.539 8.474 -1.856 634 2HD2 LEU 82 1HD2 LEU 82 16.041 8.105 -1.007 635 3HD2 LEU 82 3HD2 LEU 82 15.799 9.700 -1.717 636 H ASN 83 H ASN 83 12.472 4.916 -4.188 637 HA ASN 83 HA ASN 83 12.670 5.948 -6.940 638 1HB ASN 83 2HB ASN 83 12.608 3.191 -5.918 639 2HB ASN 83 1HB ASN 83 11.492 3.498 -7.245 640 1HD2 ASN 83 2HD2 ASN 83 14.198 5.530 -7.220 641 2HD2 ASN 83 1HD2 ASN 83 15.119 4.722 -8.437 642 H ARG 84 H ARG 84 11.097 7.480 -5.685 643 HA ARG 84 HA ARG 84 8.458 6.551 -5.190 644 1HB ARG 84 2HB ARG 84 9.700 9.269 -5.498 645 2HB ARG 84 1HB ARG 84 7.960 9.086 -5.351 646 1HG ARG 84 2HG ARG 84 8.499 9.409 -3.168 647 2HG ARG 84 1HG ARG 84 8.628 7.651 -3.247 648 1HD ARG 84 2HD ARG 84 10.875 7.669 -3.009 649 2HD ARG 84 1HD ARG 84 11.067 9.155 -3.936 650 HE ARG 84 HE ARG 84 9.893 9.437 -1.298 651 1HH1 ARG 84 1HH1 ARG 84 12.757 9.588 -3.274 652 2HH1 ARG 84 2HH1 ARG 84 13.628 10.588 -2.160 653 1HH2 ARG 84 1HH2 ARG 84 11.034 10.754 0.176 654 2HH2 ARG 84 2HH2 ARG 84 12.651 11.250 -0.200 655 H SER 85 H SER 85 10.088 6.755 -8.009 656 HA SER 85 HA SER 85 7.803 7.647 -9.610 657 1HB SER 85 2HB SER 85 9.323 8.406 -11.080 658 2HB SER 85 1HB SER 85 10.567 7.998 -9.898 659 HG SER 85 HG SER 85 9.920 6.769 -12.255 660 H GLU 86 H GLU 86 8.713 4.890 -8.204 661 HA GLU 86 HA GLU 86 8.669 2.975 -10.275 662 1HB GLU 86 2HB GLU 86 8.302 2.920 -7.317 663 2HB GLU 86 1HB GLU 86 7.808 1.507 -8.240 664 1HG GLU 86 2HG GLU 86 10.475 2.559 -8.882 665 2HG GLU 86 1HG GLU 86 10.287 1.897 -7.259 666 H ARG 87 H ARG 87 6.761 1.128 -9.721 667 HA ARG 87 HA ARG 87 4.199 2.529 -9.981 668 1HB ARG 87 2HB ARG 87 3.614 0.805 -11.770 669 2HB ARG 87 1HB ARG 87 4.657 2.141 -12.234 670 1HG ARG 87 2HG ARG 87 6.084 0.653 -13.034 671 2HG ARG 87 1HG ARG 87 6.390 0.139 -11.375 672 1HD ARG 87 2HD ARG 87 5.677 -1.868 -12.061 673 2HD ARG 87 1HD ARG 87 4.062 -1.166 -11.951 674 HE ARG 87 HE ARG 87 4.166 -0.748 -14.330 675 1HH1 ARG 87 1HH1 ARG 87 6.611 -2.855 -13.023 676 2HH1 ARG 87 2HH1 ARG 87 6.954 -3.614 -14.543 677 1HH2 ARG 87 1HH2 ARG 87 4.610 -1.738 -16.336 678 2HH2 ARG 87 2HH2 ARG 87 5.818 -2.977 -16.427 679 H TRP 88 H TRP 88 2.991 1.846 -8.399 680 HA TRP 88 HA TRP 88 2.437 -0.966 -8.041 681 1HB TRP 88 2HB TRP 88 3.196 0.486 -5.532 682 2HB TRP 88 1HB TRP 88 3.151 -1.244 -5.846 683 HD1 TRP 88 HD1 TRP 88 5.460 1.713 -5.854 684 HE1 TRP 88 HE1 TRP 88 7.833 0.950 -6.498 685 HE3 TRP 88 HE3 TRP 88 4.396 -3.042 -7.406 686 HZ2 TRP 88 HZ2 TRP 88 9.088 -1.360 -7.526 687 HZ3 TRP 88 HZ3 TRP 88 6.240 -4.463 -8.203 688 HH2 TRP 88 HH2 TRP 88 8.537 -3.638 -8.261 689 H ASP 89 H ASP 89 0.898 -1.035 -5.902 690 HA ASP 89 HA ASP 89 -1.321 0.642 -6.609 691 1HB ASP 89 2HB ASP 89 -1.279 -1.068 -4.149 692 2HB ASP 89 1HB ASP 89 -2.607 -0.735 -5.255 693 H ALA 90 H ALA 90 -2.580 1.307 -4.341 694 HA ALA 90 HA ALA 90 -0.686 2.838 -2.709 695 1HB ALA 90 2HB ALA 90 -1.391 4.336 -4.498 696 2HB ALA 90 3HB ALA 90 -2.020 4.873 -2.940 697 3HB ALA 90 1HB ALA 90 -3.082 4.051 -4.084 698 H TYR 91 H TYR 91 -1.230 2.904 -0.591 699 HA TYR 91 HA TYR 91 -3.757 1.656 0.194 700 1HB TYR 91 2HB TYR 91 -1.140 2.125 1.599 701 2HB TYR 91 1HB TYR 91 -2.593 1.725 2.501 702 HD1 TYR 91 HD1 TYR 91 -3.888 -0.422 1.565 703 HD2 TYR 91 HD2 TYR 91 0.244 0.405 0.964 704 HE1 TYR 91 HE1 TYR 91 -3.477 -2.803 1.133 705 HE2 TYR 91 HE2 TYR 91 0.662 -1.978 0.534 706 HH TYR 91 HH TYR 91 -1.806 -4.196 -0.062 707 H CYS 92 H CYS 92 -5.401 2.954 0.689 708 HA CYS 92 HA CYS 92 -4.864 5.727 1.424 709 1HB CYS 92 2HB CYS 92 -6.629 4.920 -0.309 710 2HB CYS 92 1HB CYS 92 -7.611 4.555 1.106 711 H TYR 93 H TYR 93 -5.864 6.722 3.246 712 HA TYR 93 HA TYR 93 -6.942 4.997 5.320 713 1HB TYR 93 2HB TYR 93 -4.500 4.897 5.666 714 2HB TYR 93 1HB TYR 93 -4.450 6.655 5.772 715 HD1 TYR 93 HD1 TYR 93 -6.031 7.698 7.605 716 HD2 TYR 93 HD2 TYR 93 -4.653 3.675 7.616 717 HE1 TYR 93 HE1 TYR 93 -6.453 7.573 10.023 718 HE2 TYR 93 HE2 TYR 93 -5.072 3.533 10.038 719 HH TYR 93 HH TYR 93 -5.447 4.806 11.921 720 H ASN 94 H ASN 94 -8.730 6.023 5.915 721 HA ASN 94 HA ASN 94 -8.599 8.929 6.363 722 1HB ASN 94 2HB ASN 94 -11.020 7.491 5.275 723 2HB ASN 94 1HB ASN 94 -10.802 9.228 5.455 724 1HD2 ASN 94 2HD2 ASN 94 -11.590 8.766 3.142 725 2HD2 ASN 94 1HD2 ASN 94 -10.345 8.695 1.946 726 HA PRO 95 HA PRO 95 -10.541 8.180 10.252 727 1HB PRO 95 2HB PRO 95 -12.311 10.215 10.477 728 2HB PRO 95 1HB PRO 95 -10.562 10.459 10.585 729 1HG PRO 95 2HG PRO 95 -12.419 10.939 8.291 730 2HG PRO 95 1HG PRO 95 -11.045 11.914 8.845 731 1HD PRO 95 2HD PRO 95 -10.930 10.208 6.716 732 2HD PRO 95 1HD PRO 95 -9.525 10.632 7.711 733 H HIS 96 H HIS 96 -13.032 9.270 7.957 734 HA HIS 96 HA HIS 96 -14.879 7.277 9.061 735 1HB HIS 96 2HB HIS 96 -15.285 9.792 7.453 736 2HB HIS 96 1HB HIS 96 -16.563 8.590 7.618 737 HD1 HIS 96 HD1 HIS 96 -17.942 8.678 9.704 738 HD2 HIS 96 HD2 HIS 96 -14.489 10.971 9.985 739 HE1 HIS 96 HE1 HIS 96 -18.156 9.954 11.860 740 HE2 HIS 96 HE2 HIS 96 -16.100 11.406 11.960 741 H ALA 97 H ALA 97 -12.644 6.708 7.178 742 HA ALA 97 HA ALA 97 -13.770 6.171 4.610 743 1HB ALA 97 1HB ALA 97 -11.636 4.550 4.651 744 2HB ALA 97 2HB ALA 97 -11.205 5.636 5.972 745 3HB ALA 97 3HB ALA 97 -11.524 6.287 4.365 746 H LYS 98 H LYS 98 -15.618 5.146 6.255 747 HA LYS 98 HA LYS 98 -15.199 2.365 6.816 748 1HB LYS 98 2HB LYS 98 -17.165 4.354 7.431 749 2HB LYS 98 1HB LYS 98 -17.973 2.949 6.747 750 1HG LYS 98 2HG LYS 98 -15.943 2.586 8.904 751 2HG LYS 98 1HG LYS 98 -17.580 3.106 9.309 752 1HD LYS 98 2HD LYS 98 -18.263 0.995 9.190 753 2HD LYS 98 1HD LYS 98 -17.807 0.955 7.486 754 1HE LYS 98 2HE LYS 98 -16.552 -0.779 8.323 755 2HE LYS 98 1HE LYS 98 -15.407 0.558 8.436 756 1HZ LYS 98 2HZ LYS 98 -16.283 0.828 10.791 757 2HZ LYS 98 1HZ LYS 98 -16.968 -0.707 10.604 758 3HZ LYS 98 3HZ LYS 98 -15.291 -0.509 10.490 No H/Q in entry = 758 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -12.517 3.139 5.768 2 H2 GLY 1 3H GLY 1 -12.805 2.243 7.174 3 H3 GLY 1 2H GLY 1 -13.152 3.897 7.141 4 1HA GLY 1 2HA GLY 1 -10.884 2.823 8.119 5 2HA GLY 1 1HA GLY 1 -11.072 4.493 7.608 6 H VAL 2 H VAL 2 -8.931 2.197 7.461 7 HA VAL 2 HA VAL 2 -7.756 3.161 5.017 8 HB VAL 2 HB VAL 2 -6.188 2.819 6.725 9 1HG1 VAL 2 2HG1 VAL 2 -7.940 0.756 7.544 10 2HG1 VAL 2 1HG1 VAL 2 -6.338 0.045 7.336 11 3HG1 VAL 2 3HG1 VAL 2 -6.556 1.427 8.410 12 1HG2 VAL 2 1HG2 VAL 2 -5.763 1.718 4.374 13 2HG2 VAL 2 3HG2 VAL 2 -4.606 1.536 5.692 14 3HG2 VAL 2 2HG2 VAL 2 -5.739 0.234 5.327 15 H TYR 3 H TYR 3 -7.206 1.948 3.193 16 HA TYR 3 HA TYR 3 -7.956 -0.810 2.958 17 1HB TYR 3 2HB TYR 3 -9.618 -0.472 1.128 18 2HB TYR 3 1HB TYR 3 -10.175 0.063 2.707 19 HD1 TYR 3 HD1 TYR 3 -10.173 2.531 3.226 20 HD2 TYR 3 HD2 TYR 3 -9.508 1.017 -0.694 21 HE1 TYR 3 HE1 TYR 3 -10.707 4.740 2.289 22 HE2 TYR 3 HE2 TYR 3 -10.040 3.223 -1.643 23 HH TYR 3 HH TYR 3 -11.534 5.303 -0.740 24 H HIS 4 H HIS 4 -7.830 -1.513 0.569 25 HA HIS 4 HA HIS 4 -5.336 -0.418 -0.477 26 1HB HIS 4 2HB HIS 4 -5.719 -2.905 -0.083 27 2HB HIS 4 1HB HIS 4 -6.802 -2.862 -1.470 28 HD1 HIS 4 HD1 HIS 4 -3.507 -3.773 -0.726 29 HD2 HIS 4 HD2 HIS 4 -5.220 -1.567 -3.785 30 HE1 HIS 4 HE1 HIS 4 -1.840 -3.829 -2.605 31 HE2 HIS 4 HE2 HIS 4 -2.947 -2.569 -4.485 32 H ARG 5 H ARG 5 -5.054 0.165 -2.651 33 HA ARG 5 HA ARG 5 -7.372 0.389 -4.377 34 1HB ARG 5 2HB ARG 5 -7.425 2.421 -2.924 35 2HB ARG 5 1HB ARG 5 -5.845 2.861 -3.553 36 1HG ARG 5 2HG ARG 5 -7.070 4.084 -4.988 37 2HG ARG 5 1HG ARG 5 -7.182 2.554 -5.861 38 1HD ARG 5 2HD ARG 5 -9.391 3.194 -5.774 39 2HD ARG 5 1HD ARG 5 -9.266 2.161 -4.351 40 HE ARG 5 HE ARG 5 -9.410 4.053 -2.984 41 1HH1 ARG 5 1HH1 ARG 5 -9.478 4.882 -6.366 42 2HH1 ARG 5 2HH1 ARG 5 -10.066 6.488 -6.094 43 1HH2 ARG 5 2HH2 ARG 5 -10.185 6.167 -2.615 44 2HH2 ARG 5 1HH2 ARG 5 -10.468 7.218 -3.961 45 H GLU 6 H GLU 6 -6.826 0.951 -6.561 46 HA GLU 6 HA GLU 6 -3.968 0.558 -7.165 47 1HB GLU 6 2HB GLU 6 -4.542 -0.653 -9.116 48 2HB GLU 6 1HB GLU 6 -5.553 -1.301 -7.833 49 1HG GLU 6 2HG GLU 6 -6.472 0.777 -9.800 50 2HG GLU 6 1HG GLU 6 -6.713 -0.956 -10.010 51 H ALA 7 H ALA 7 -3.946 1.141 -9.818 52 HA ALA 7 HA ALA 7 -4.293 4.033 -9.765 53 1HB ALA 7 1HB ALA 7 -2.663 4.166 -11.362 54 2HB ALA 7 3HB ALA 7 -2.212 2.642 -10.598 55 3HB ALA 7 2HB ALA 7 -3.117 2.636 -12.111 56 H ARG 8 H ARG 8 -5.335 5.201 -11.438 57 HA ARG 8 HA ARG 8 -7.853 4.314 -12.159 58 1HB ARG 8 2HB ARG 8 -6.107 6.411 -13.454 59 2HB ARG 8 1HB ARG 8 -7.802 6.169 -13.858 60 1HG ARG 8 2HG ARG 8 -7.150 6.554 -11.000 61 2HG ARG 8 1HG ARG 8 -6.978 7.952 -12.063 62 1HD ARG 8 2HD ARG 8 -9.168 8.276 -11.951 63 2HD ARG 8 1HD ARG 8 -9.417 6.718 -12.737 64 HE ARG 8 HE ARG 8 -10.079 5.861 -10.728 65 1HH1 ARG 8 1HH1 ARG 8 -8.316 8.811 -10.163 66 2HH1 ARG 8 2HH1 ARG 8 -8.657 8.841 -8.464 67 1HH2 ARG 8 1HH2 ARG 8 -10.533 5.892 -8.493 68 2HH2 ARG 8 2HH2 ARG 8 -9.916 7.182 -7.515 69 H SER 9 H SER 9 -4.804 3.690 -13.648 70 HA SER 9 HA SER 9 -6.033 2.700 -16.099 71 1HB SER 9 2HB SER 9 -3.874 4.057 -16.071 72 2HB SER 9 1HB SER 9 -3.099 2.623 -15.399 73 HG SER 9 HG SER 9 -3.565 3.151 -17.930 74 H GLY 10 H GLY 10 -4.019 1.501 -13.436 75 1HA GLY 10 2HA GLY 10 -3.994 -1.181 -14.287 76 2HA GLY 10 1HA GLY 10 -5.321 -0.939 -13.164 77 H LYS 11 H LYS 11 -3.761 -2.683 -12.193 78 HA LYS 11 HA LYS 11 -2.610 -1.540 -9.881 79 1HB LYS 11 2HB LYS 11 -3.513 -3.752 -9.749 80 2HB LYS 11 1HB LYS 11 -2.472 -4.320 -11.048 81 1HG LYS 11 2HG LYS 11 -0.719 -3.342 -9.122 82 2HG LYS 11 1HG LYS 11 -1.973 -4.185 -8.211 83 1HD LYS 11 2HD LYS 11 -1.531 -5.939 -10.233 84 2HD LYS 11 1HD LYS 11 0.078 -5.244 -10.030 85 1HE LYS 11 2HE LYS 11 0.167 -6.977 -8.528 86 2HE LYS 11 1HE LYS 11 -0.393 -5.666 -7.490 87 1HZ LYS 11 2HZ LYS 11 -2.681 -6.461 -7.869 88 2HZ LYS 11 1HZ LYS 11 -2.068 -7.777 -8.735 89 3HZ LYS 11 3HZ LYS 11 -1.710 -7.606 -7.090 90 H TYR 12 H TYR 12 -0.465 -1.363 -9.228 91 HA TYR 12 HA TYR 12 1.755 -0.937 -9.433 92 1HB TYR 12 2HB TYR 12 1.404 -3.022 -11.573 93 2HB TYR 12 1HB TYR 12 2.964 -2.253 -11.297 94 HD1 TYR 12 HD1 TYR 12 1.085 -2.507 -8.293 95 HD2 TYR 12 HD2 TYR 12 3.600 -4.730 -10.909 96 HE1 TYR 12 HE1 TYR 12 1.552 -4.098 -6.483 97 HE2 TYR 12 HE2 TYR 12 4.073 -6.330 -9.102 98 HH TYR 12 HH TYR 12 3.891 -6.710 -6.883 99 H LYS 13 H LYS 13 0.556 1.145 -10.183 100 HA LYS 13 HA LYS 13 2.056 2.158 -12.432 101 1HB LYS 13 2HB LYS 13 -0.912 1.784 -12.524 102 2HB LYS 13 1HB LYS 13 -0.199 3.179 -13.321 103 1HG LYS 13 2HG LYS 13 1.375 1.359 -14.379 104 2HG LYS 13 1HG LYS 13 0.024 0.293 -13.987 105 1HD LYS 13 2HD LYS 13 -1.178 2.511 -15.135 106 2HD LYS 13 1HD LYS 13 0.279 2.264 -16.100 107 1HE LYS 13 2HE LYS 13 -1.225 -0.179 -15.472 108 2HE LYS 13 1HE LYS 13 -2.074 0.972 -16.500 109 1HZ LYS 13 3HZ LYS 13 0.704 0.182 -17.099 110 2HZ LYS 13 2HZ LYS 13 -0.593 -0.781 -17.600 111 3HZ LYS 13 1HZ LYS 13 -0.467 0.817 -18.142 112 H LEU 14 H LEU 14 1.059 2.455 -9.419 113 HA LEU 14 HA LEU 14 0.707 5.378 -9.506 114 1HB LEU 14 2HB LEU 14 -0.232 3.240 -7.661 115 2HB LEU 14 1HB LEU 14 0.087 4.825 -6.988 116 HG LEU 14 HG LEU 14 -1.676 4.581 -9.391 117 1HD1 LEU 14 3HD1 LEU 14 -2.253 3.008 -7.318 118 2HD1 LEU 14 2HD1 LEU 14 -2.955 4.514 -6.725 119 3HD1 LEU 14 1HD1 LEU 14 -3.492 3.835 -8.262 120 1HD2 LEU 14 1HD2 LEU 14 -0.831 6.767 -8.388 121 2HD2 LEU 14 3HD2 LEU 14 -2.567 6.620 -8.663 122 3HD2 LEU 14 2HD2 LEU 14 -1.912 6.426 -7.036 123 H THR 15 H THR 15 2.072 6.703 -8.461 124 HA THR 15 HA THR 15 4.455 5.473 -7.247 125 HB THR 15 HB THR 15 5.746 7.268 -7.964 126 HG1 THR 15 HG1 THR 15 4.899 9.161 -7.534 127 1HG2 THR 15 1HG2 THR 15 4.272 5.964 -9.847 128 2HG2 THR 15 3HG2 THR 15 3.918 7.648 -10.231 129 3HG2 THR 15 2HG2 THR 15 5.588 7.083 -10.204 130 H TYR 16 H TYR 16 5.251 6.293 -5.273 131 HA TYR 16 HA TYR 16 3.612 6.742 -3.218 132 1HB TYR 16 2HB TYR 16 5.985 6.557 -2.850 133 2HB TYR 16 1HB TYR 16 6.279 8.091 -3.661 134 HD1 TYR 16 HD1 TYR 16 4.594 6.610 -0.688 135 HD2 TYR 16 HD2 TYR 16 6.330 10.079 -2.444 136 HE1 TYR 16 HE1 TYR 16 4.412 7.788 1.465 137 HE2 TYR 16 HE2 TYR 16 6.153 11.263 -0.295 138 HH TYR 16 HH TYR 16 4.724 11.095 1.788 139 H ALA 17 H ALA 17 4.669 9.233 -5.478 140 HA ALA 17 HA ALA 17 3.368 11.375 -4.109 141 1HB ALA 17 1HB ALA 17 4.331 11.251 -6.965 142 2HB ALA 17 3HB ALA 17 3.919 12.708 -6.061 143 3HB ALA 17 2HB ALA 17 5.305 11.731 -5.574 144 H GLU 18 H GLU 18 2.523 9.333 -6.898 145 HA GLU 18 HA GLU 18 0.099 10.712 -7.473 146 1HB GLU 18 2HB GLU 18 1.033 7.931 -8.209 147 2HB GLU 18 1HB GLU 18 -0.393 8.713 -8.868 148 1HG GLU 18 2HG GLU 18 0.992 10.454 -9.849 149 2HG GLU 18 1HG GLU 18 2.431 9.705 -9.160 150 H ALA 19 H ALA 19 0.912 7.732 -5.764 151 HA ALA 19 HA ALA 19 -1.649 6.879 -5.099 152 1HB ALA 19 1HB ALA 19 -0.267 5.226 -4.491 153 2HB ALA 19 2HB ALA 19 -0.120 6.093 -2.962 154 3HB ALA 19 3HB ALA 19 1.083 6.332 -4.231 155 H LYS 20 H LYS 20 0.479 9.215 -3.549 156 HA LYS 20 HA LYS 20 -1.167 9.572 -1.234 157 1HB LYS 20 2HB LYS 20 1.370 10.033 -1.532 158 2HB LYS 20 1HB LYS 20 0.851 11.567 -2.214 159 1HG LYS 20 2HG LYS 20 -0.506 11.826 -0.041 160 2HG LYS 20 1HG LYS 20 0.541 10.549 0.581 161 1HD LYS 20 2HD LYS 20 2.352 11.897 0.670 162 2HD LYS 20 1HD LYS 20 1.909 12.762 -0.803 163 1HE LYS 20 2HE LYS 20 0.999 14.423 0.362 164 2HE LYS 20 1HE LYS 20 0.020 13.299 1.303 165 1HZ LYS 20 2HZ LYS 20 2.507 12.981 2.334 166 2HZ LYS 20 1HZ LYS 20 2.453 14.642 2.016 167 3HZ LYS 20 3HZ LYS 20 1.281 13.930 3.008 168 H ALA 21 H ALA 21 -0.893 11.081 -4.377 169 HA ALA 21 HA ALA 21 -2.378 13.419 -3.794 170 1HB ALA 21 1HB ALA 21 -2.666 13.534 -6.291 171 2HB ALA 21 2HB ALA 21 -1.787 12.008 -6.382 172 3HB ALA 21 3HB ALA 21 -1.000 13.440 -5.721 173 H VAL 22 H VAL 22 -3.302 10.295 -5.181 174 HA VAL 22 HA VAL 22 -6.017 10.952 -5.608 175 HB VAL 22 HB VAL 22 -4.485 8.391 -5.493 176 1HG1 VAL 22 1HG1 VAL 22 -7.492 8.587 -5.616 177 2HG1 VAL 22 3HG1 VAL 22 -6.551 7.129 -5.929 178 3HG1 VAL 22 2HG1 VAL 22 -6.540 7.858 -4.323 179 1HG2 VAL 22 1HG2 VAL 22 -6.181 9.756 -7.577 180 2HG2 VAL 22 3HG2 VAL 22 -4.423 9.616 -7.556 181 3HG2 VAL 22 2HG2 VAL 22 -5.420 8.179 -7.786 182 H CYS 23 H CYS 23 -4.427 9.127 -3.009 183 HA CYS 23 HA CYS 23 -6.766 8.671 -1.511 184 1HB CYS 23 2HB CYS 23 -3.839 8.657 -0.814 185 2HB CYS 23 1HB CYS 23 -5.075 8.340 0.394 186 H GLU 24 H GLU 24 -4.276 11.191 -1.297 187 HA GLU 24 HA GLU 24 -5.605 12.530 0.877 188 1HB GLU 24 2HB GLU 24 -3.092 12.540 0.381 189 2HB GLU 24 1HB GLU 24 -3.460 13.707 -0.881 190 1HG GLU 24 2HG GLU 24 -4.042 15.352 0.617 191 2HG GLU 24 1HG GLU 24 -4.416 14.200 1.898 192 H PHE 25 H PHE 25 -6.193 12.309 -2.378 193 HA PHE 25 HA PHE 25 -6.830 14.912 -3.160 194 1HB PHE 25 2HB PHE 25 -6.906 12.458 -4.357 195 2HB PHE 25 1HB PHE 25 -8.621 12.810 -4.180 196 HD1 PHE 25 HD1 PHE 25 -5.453 14.267 -5.460 197 HD2 PHE 25 HD2 PHE 25 -9.700 14.161 -5.718 198 HE1 PHE 25 HE1 PHE 25 -5.362 15.694 -7.462 199 HE2 PHE 25 HE2 PHE 25 -9.617 15.587 -7.723 200 HZ PHE 25 HZ PHE 25 -7.446 16.356 -8.597 201 H GLU 26 H GLU 26 -8.909 12.400 -1.767 202 HA GLU 26 HA GLU 26 -10.994 14.404 -1.307 203 1HB GLU 26 2HB GLU 26 -11.168 11.421 -0.887 204 2HB GLU 26 1HB GLU 26 -12.500 12.567 -0.958 205 1HG GLU 26 2HG GLU 26 -11.982 13.019 -3.303 206 2HG GLU 26 1HG GLU 26 -10.661 11.854 -3.229 207 H GLY 27 H GLY 27 -9.155 15.101 0.312 208 1HA GLY 27 1HA GLY 27 -10.163 15.044 2.856 209 2HA GLY 27 2HA GLY 27 -8.474 15.362 2.493 210 H GLY 28 H GLY 28 -7.965 12.726 1.387 211 1HA GLY 28 2HA GLY 28 -8.102 10.424 2.214 212 2HA GLY 28 1HA GLY 28 -8.208 11.092 3.839 213 H HIS 29 H HIS 29 -6.340 9.210 3.494 214 HA HIS 29 HA HIS 29 -3.810 10.438 2.780 215 1HB HIS 29 2HB HIS 29 -3.402 9.297 5.366 216 2HB HIS 29 1HB HIS 29 -3.133 10.957 4.845 217 HD1 HIS 29 HD1 HIS 29 -5.213 12.608 5.134 218 HD2 HIS 29 HD2 HIS 29 -5.532 8.937 7.055 219 HE1 HIS 29 HE1 HIS 29 -7.075 12.881 6.801 220 HE2 HIS 29 HE2 HIS 29 -7.316 10.618 7.880 221 H LEU 30 H LEU 30 -2.380 8.949 2.051 222 HA LEU 30 HA LEU 30 -3.269 6.287 1.684 223 1HB LEU 30 2HB LEU 30 -1.690 6.245 0.137 224 2HB LEU 30 1HB LEU 30 -1.309 7.900 0.566 225 HG LEU 30 HG LEU 30 0.152 6.528 2.410 226 1HD1 LEU 30 3HD1 LEU 30 -0.344 4.754 0.104 227 2HD1 LEU 30 2HD1 LEU 30 1.326 4.878 0.658 228 3HD1 LEU 30 1HD1 LEU 30 0.062 4.361 1.776 229 1HD2 LEU 30 1HD2 LEU 30 0.665 7.850 -0.164 230 2HD2 LEU 30 3HD2 LEU 30 1.403 8.113 1.416 231 3HD2 LEU 30 2HD2 LEU 30 1.951 6.779 0.398 232 H ALA 31 H ALA 31 -3.150 4.616 2.967 233 HA ALA 31 HA ALA 31 -2.353 4.695 5.596 234 1HB ALA 31 3HB ALA 31 -3.187 2.636 3.721 235 2HB ALA 31 2HB ALA 31 -2.099 2.030 4.969 236 3HB ALA 31 1HB ALA 31 -3.592 2.852 5.424 237 H THR 32 H THR 32 -0.674 3.334 6.665 238 HA THR 32 HA THR 32 1.882 3.525 5.205 239 HB THR 32 HB THR 32 3.009 4.040 7.217 240 HG1 THR 32 HG1 THR 32 1.248 2.542 8.370 241 1HG2 THR 32 3HG2 THR 32 0.366 5.497 7.196 242 2HG2 THR 32 2HG2 THR 32 1.784 6.006 8.113 243 3HG2 THR 32 1HG2 THR 32 1.842 5.963 6.350 244 H TYR 33 H TYR 33 3.366 2.197 7.238 245 HA TYR 33 HA TYR 33 2.822 -0.541 6.503 246 1HB TYR 33 2HB TYR 33 5.121 0.033 6.552 247 2HB TYR 33 1HB TYR 33 4.978 0.800 8.126 248 HD1 TYR 33 HD1 TYR 33 4.493 -2.564 6.558 249 HD2 TYR 33 HD2 TYR 33 5.768 -0.347 9.958 250 HE1 TYR 33 HE1 TYR 33 5.208 -4.650 7.642 251 HE2 TYR 33 HE2 TYR 33 6.489 -2.428 11.051 252 HH TYR 33 HH TYR 33 5.553 -5.218 10.496 253 H LYS 34 H LYS 34 3.585 0.855 9.662 254 HA LYS 34 HA LYS 34 2.549 -1.106 11.260 255 1HB LYS 34 2HB LYS 34 2.672 1.874 11.701 256 2HB LYS 34 1HB LYS 34 2.159 0.755 12.955 257 1HG LYS 34 2HG LYS 34 4.417 -0.421 12.491 258 2HG LYS 34 1HG LYS 34 4.858 1.110 11.731 259 1HD LYS 34 2HD LYS 34 4.312 2.290 13.811 260 2HD LYS 34 1HD LYS 34 3.893 0.752 14.569 261 1HE LYS 34 2HE LYS 34 6.033 0.237 14.957 262 2HE LYS 34 1HE LYS 34 6.534 0.734 13.341 263 1HZ LYS 34 1HZ LYS 34 5.892 3.039 14.766 264 2HZ LYS 34 3HZ LYS 34 6.872 2.097 15.774 265 3HZ LYS 34 2HZ LYS 34 7.418 2.538 14.236 266 H GLN 35 H GLN 35 0.818 1.536 9.686 267 HA GLN 35 HA GLN 35 -1.658 1.113 10.992 268 1HB GLN 35 2HB GLN 35 -1.013 2.370 8.317 269 2HB GLN 35 1HB GLN 35 -2.588 2.431 9.089 270 1HG GLN 35 2HG GLN 35 -1.658 3.667 10.955 271 2HG GLN 35 1HG GLN 35 -0.051 3.562 10.238 272 1HE2 GLN 35 1HE2 GLN 35 -0.952 5.996 10.854 273 2HE2 GLN 35 2HE2 GLN 35 -1.383 6.879 9.434 274 H LEU 36 H LEU 36 -0.520 0.190 7.740 275 HA LEU 36 HA LEU 36 -2.749 -1.331 7.019 276 1HB LEU 36 2HB LEU 36 -0.310 -0.693 5.868 277 2HB LEU 36 1HB LEU 36 -0.225 -2.433 6.053 278 HG LEU 36 HG LEU 36 -1.073 -1.675 3.834 279 1HD1 LEU 36 1HD1 LEU 36 -1.589 -3.902 4.792 280 2HD1 LEU 36 3HD1 LEU 36 -3.088 -3.236 5.439 281 3HD1 LEU 36 2HD1 LEU 36 -2.833 -3.303 3.695 282 1HD2 LEU 36 3HD2 LEU 36 -2.623 0.052 5.359 283 2HD2 LEU 36 2HD2 LEU 36 -2.743 -0.223 3.621 284 3HD2 LEU 36 1HD2 LEU 36 -3.765 -1.136 4.730 285 H GLU 37 H GLU 37 -0.237 -1.925 9.260 286 HA GLU 37 HA GLU 37 -0.342 -4.765 9.315 287 1HB GLU 37 2HB GLU 37 1.542 -3.407 10.219 288 2HB GLU 37 1HB GLU 37 0.486 -2.868 11.516 289 1HG GLU 37 2HG GLU 37 1.551 -4.572 12.571 290 2HG GLU 37 1HG GLU 37 0.182 -5.450 11.890 291 H ALA 38 H ALA 38 -1.525 -2.371 11.654 292 HA ALA 38 HA ALA 38 -3.058 -4.101 13.185 293 1HB ALA 38 2HB ALA 38 -2.673 -2.008 14.133 294 2HB ALA 38 1HB ALA 38 -3.224 -1.151 12.694 295 3HB ALA 38 3HB ALA 38 -4.391 -1.968 13.736 296 H ALA 39 H ALA 39 -3.613 -2.898 10.041 297 HA ALA 39 HA ALA 39 -6.482 -3.455 10.105 298 1HB ALA 39 3HB ALA 39 -4.763 -2.557 7.792 299 2HB ALA 39 2HB ALA 39 -6.526 -2.573 7.856 300 3HB ALA 39 1HB ALA 39 -5.615 -1.469 8.887 301 H ARG 40 H ARG 40 -3.471 -4.774 9.053 302 HA ARG 40 HA ARG 40 -4.483 -6.762 7.296 303 1HB ARG 40 2HB ARG 40 -2.209 -6.152 7.048 304 2HB ARG 40 1HB ARG 40 -1.891 -6.349 8.766 305 1HG ARG 40 2HG ARG 40 -2.681 -8.859 8.069 306 2HG ARG 40 1HG ARG 40 -1.859 -8.323 6.602 307 1HD ARG 40 2HD ARG 40 0.173 -8.071 7.672 308 2HD ARG 40 1HD ARG 40 -0.570 -7.894 9.261 309 HE ARG 40 HE ARG 40 -0.874 -10.495 8.029 310 1HH1 ARG 40 2HH1 ARG 40 0.987 -8.474 10.168 311 2HH1 ARG 40 1HH1 ARG 40 1.711 -9.804 11.009 312 1HH2 ARG 40 2HH2 ARG 40 0.074 -12.257 9.128 313 2HH2 ARG 40 1HH2 ARG 40 1.192 -11.955 10.418 314 H LYS 41 H LYS 41 -3.821 -6.546 10.726 315 HA LYS 41 HA LYS 41 -4.127 -9.327 11.238 316 1HB LYS 41 2HB LYS 41 -4.495 -7.161 13.288 317 2HB LYS 41 1HB LYS 41 -3.898 -8.798 13.525 318 1HG LYS 41 2HG LYS 41 -1.957 -8.055 11.986 319 2HG LYS 41 1HG LYS 41 -2.492 -6.423 12.388 320 1HD LYS 41 2HD LYS 41 -2.009 -8.437 14.550 321 2HD LYS 41 1HD LYS 41 -0.661 -7.545 13.839 322 1HE LYS 41 2HE LYS 41 -1.847 -5.432 14.378 323 2HE LYS 41 1HE LYS 41 -3.080 -6.381 15.209 324 1HZ LYS 41 1HZ LYS 41 -0.368 -6.940 16.035 325 2HZ LYS 41 3HZ LYS 41 -0.894 -5.370 16.385 326 3HZ LYS 41 2HZ LYS 41 -1.758 -6.701 16.969 327 H ILE 42 H ILE 42 -6.314 -6.784 10.685 328 HA ILE 42 HA ILE 42 -8.500 -8.026 12.141 329 HB ILE 42 HB ILE 42 -9.824 -6.151 11.545 330 1HG1 ILE 42 1HG1 ILE 42 -7.886 -4.737 9.867 331 2HG1 ILE 42 2HG1 ILE 42 -8.471 -6.224 9.139 332 1HG2 ILE 42 3HG2 ILE 42 -6.980 -5.423 12.178 333 2HG2 ILE 42 2HG2 ILE 42 -8.266 -4.216 12.124 334 3HG2 ILE 42 1HG2 ILE 42 -8.358 -5.550 13.274 335 1HD1 ILE 42 3HD1 ILE 42 -10.705 -4.857 10.204 336 2HD1 ILE 42 2HD1 ILE 42 -9.745 -3.701 9.282 337 3HD1 ILE 42 1HD1 ILE 42 -10.315 -5.185 8.517 338 H GLY 43 H GLY 43 -7.023 -8.468 9.194 339 1HA GLY 43 1HA GLY 43 -9.520 -9.514 8.004 340 2HA GLY 43 2HA GLY 43 -7.997 -10.393 7.942 341 H PHE 44 H PHE 44 -7.021 -7.331 7.617 342 HA PHE 44 HA PHE 44 -7.795 -6.796 4.904 343 1HB PHE 44 2HB PHE 44 -7.103 -5.085 6.691 344 2HB PHE 44 1HB PHE 44 -5.446 -5.549 6.319 345 HD1 PHE 44 HD1 PHE 44 -7.381 -5.846 3.412 346 HD2 PHE 44 HD2 PHE 44 -5.487 -2.958 5.899 347 HE1 PHE 44 HE1 PHE 44 -7.356 -4.255 1.537 348 HE2 PHE 44 HE2 PHE 44 -5.462 -1.361 4.029 349 HZ PHE 44 HZ PHE 44 -6.395 -2.009 1.845 350 H HIS 45 H HIS 45 -7.022 -7.820 3.190 351 HA HIS 45 HA HIS 45 -4.181 -8.527 3.105 352 1HB HIS 45 2HB HIS 45 -5.389 -10.553 3.813 353 2HB HIS 45 1HB HIS 45 -6.422 -10.433 2.395 354 HD1 HIS 45 HD1 HIS 45 -4.590 -12.897 3.034 355 HD2 HIS 45 HD2 HIS 45 -3.649 -9.808 0.419 356 HE1 HIS 45 HE1 HIS 45 -2.900 -13.856 1.439 357 HE2 HIS 45 HE2 HIS 45 -2.303 -11.954 -0.100 358 H VAL 46 H VAL 46 -3.271 -7.871 1.275 359 HA VAL 46 HA VAL 46 -4.721 -7.947 -1.230 360 HB VAL 46 HB VAL 46 -3.571 -5.379 -1.286 361 1HG1 VAL 46 1HG1 VAL 46 -5.660 -6.444 -2.385 362 2HG1 VAL 46 3HG1 VAL 46 -6.505 -5.847 -0.957 363 3HG1 VAL 46 2HG1 VAL 46 -5.663 -4.719 -2.018 364 1HG2 VAL 46 1HG2 VAL 46 -3.683 -5.481 1.215 365 2HG2 VAL 46 3HG2 VAL 46 -4.604 -4.162 0.487 366 3HG2 VAL 46 2HG2 VAL 46 -5.435 -5.608 1.069 367 H CYS 47 H CYS 47 -3.247 -9.208 -2.223 368 HA CYS 47 HA CYS 47 -0.434 -8.920 -1.868 369 1HB CYS 47 2HB CYS 47 -0.531 -10.432 -4.059 370 2HB CYS 47 1HB CYS 47 -0.893 -11.078 -2.462 371 H ALA 48 H ALA 48 -0.016 -6.742 -2.372 372 HA ALA 48 HA ALA 48 0.878 -6.266 -4.985 373 1HB ALA 48 3HB ALA 48 -1.558 -6.072 -5.439 374 2HB ALA 48 1HB ALA 48 -0.653 -4.599 -5.793 375 3HB ALA 48 2HB ALA 48 -1.618 -4.710 -4.320 376 H ALA 49 H ALA 49 2.633 -5.123 -4.533 377 HA ALA 49 HA ALA 49 3.368 -3.868 -2.271 378 1HB ALA 49 3HB ALA 49 5.174 -3.480 -3.496 379 2HB ALA 49 2HB ALA 49 4.267 -3.853 -4.962 380 3HB ALA 49 1HB ALA 49 4.321 -2.198 -4.357 381 H GLY 50 H GLY 50 2.190 -2.515 -1.065 382 1HA GLY 50 2HA GLY 50 0.341 -0.970 -0.855 383 2HA GLY 50 1HA GLY 50 0.779 -0.313 -2.423 384 H TRP 51 H TRP 51 1.586 1.648 -2.281 385 HA TRP 51 HA TRP 51 3.888 2.358 -0.938 386 1HB TRP 51 2HB TRP 51 1.590 3.939 -2.036 387 2HB TRP 51 1HB TRP 51 2.880 4.756 -1.158 388 HD1 TRP 51 HD1 TRP 51 1.999 3.519 -4.535 389 HE1 TRP 51 HE1 TRP 51 4.039 3.691 -6.108 390 HE3 TRP 51 HE3 TRP 51 5.630 4.427 -1.058 391 HZ2 TRP 51 HZ2 TRP 51 6.821 4.152 -5.892 392 HZ3 TRP 51 HZ3 TRP 51 7.949 4.723 -1.814 393 HH2 TRP 51 HH2 TRP 51 8.533 4.585 -4.183 394 H MET 52 H MET 52 3.998 4.204 0.702 395 HA MET 52 HA MET 52 1.967 4.412 2.680 396 1HB MET 52 2HB MET 52 3.808 3.437 4.418 397 2HB MET 52 1HB MET 52 2.461 2.505 3.783 398 1HG MET 52 2HG MET 52 4.454 2.224 1.876 399 2HG MET 52 1HG MET 52 5.296 2.131 3.421 400 1HE MET 52 3HE MET 52 6.086 -0.176 3.488 401 2HE MET 52 2HE MET 52 5.218 0.036 5.008 402 3HE MET 52 1HE MET 52 5.041 -1.462 4.094 403 H ALA 53 H ALA 53 2.679 5.758 4.529 404 HA ALA 53 HA ALA 53 3.858 8.097 3.794 405 1HB ALA 53 1HB ALA 53 4.073 8.642 6.119 406 2HB ALA 53 2HB ALA 53 4.051 6.937 6.568 407 3HB ALA 53 3HB ALA 53 2.605 7.692 5.900 408 H LYS 54 H LYS 54 5.893 9.108 4.408 409 HA LYS 54 HA LYS 54 8.161 9.236 4.631 410 1HB LYS 54 2HB LYS 54 7.671 6.443 5.507 411 2HB LYS 54 1HB LYS 54 9.306 6.841 5.003 412 1HG LYS 54 2HG LYS 54 9.711 7.778 6.961 413 2HG LYS 54 1HG LYS 54 8.364 8.892 6.737 414 1HD LYS 54 2HD LYS 54 7.503 6.205 7.460 415 2HD LYS 54 1HD LYS 54 8.549 6.944 8.675 416 1HE LYS 54 2HE LYS 54 6.861 8.999 8.017 417 2HE LYS 54 1HE LYS 54 5.804 7.592 7.911 418 1HZ LYS 54 1HZ LYS 54 6.868 7.020 10.190 419 2HZ LYS 54 3HZ LYS 54 7.225 8.674 10.244 420 3HZ LYS 54 2HZ LYS 54 5.619 8.158 10.110 421 H GLY 55 H GLY 55 6.660 6.937 2.519 422 1HA GLY 55 1HA GLY 55 8.847 7.378 0.589 423 2HA GLY 55 2HA GLY 55 7.164 7.104 0.151 424 H ARG 56 H ARG 56 7.051 5.001 2.322 425 HA ARG 56 HA ARG 56 8.734 2.912 1.168 426 1HB ARG 56 2HB ARG 56 7.077 3.111 3.670 427 2HB ARG 56 1HB ARG 56 7.662 1.558 3.091 428 1HG ARG 56 2HG ARG 56 9.928 2.221 3.342 429 2HG ARG 56 1HG ARG 56 9.466 3.899 3.640 430 1HD ARG 56 2HD ARG 56 9.198 1.515 5.428 431 2HD ARG 56 1HD ARG 56 9.908 3.091 5.771 432 HE ARG 56 HE ARG 56 7.207 3.496 5.260 433 1HH1 ARG 56 1HH1 ARG 56 9.197 1.857 7.601 434 2HH1 ARG 56 2HH1 ARG 56 8.057 2.040 8.893 435 1HH2 ARG 56 1HH2 ARG 56 5.697 3.743 6.952 436 2HH2 ARG 56 2HH2 ARG 56 6.066 3.112 8.523 437 H VAL 57 H VAL 57 7.706 0.747 0.857 438 HA VAL 57 HA VAL 57 4.909 0.605 0.307 439 HB VAL 57 HB VAL 57 5.282 1.678 -1.705 440 1HG1 VAL 57 3HG1 VAL 57 7.971 0.538 -1.488 441 2HG1 VAL 57 2HG1 VAL 57 7.345 0.676 -3.131 442 3HG1 VAL 57 1HG1 VAL 57 7.442 2.105 -2.101 443 1HG2 VAL 57 3HG2 VAL 57 5.244 -1.263 -1.921 444 2HG2 VAL 57 2HG2 VAL 57 4.126 -0.061 -2.568 445 3HG2 VAL 57 1HG2 VAL 57 5.647 -0.385 -3.397 446 H GLY 58 H GLY 58 4.575 -1.317 1.228 447 1HA GLY 58 2HA GLY 58 5.584 -3.404 2.056 448 2HA GLY 58 1HA GLY 58 6.395 -3.530 0.502 449 H TYR 59 H TYR 59 5.028 -5.681 1.308 450 HA TYR 59 HA TYR 59 2.509 -5.571 -0.214 451 1HB TYR 59 2HB TYR 59 3.866 -8.175 -0.195 452 2HB TYR 59 1HB TYR 59 3.109 -7.306 -1.530 453 HD1 TYR 59 HD1 TYR 59 4.566 -4.953 -1.984 454 HD2 TYR 59 HD2 TYR 59 6.061 -8.700 -0.622 455 HE1 TYR 59 HE1 TYR 59 6.787 -4.386 -2.874 456 HE2 TYR 59 HE2 TYR 59 8.285 -8.139 -1.507 457 HH TYR 59 HH TYR 59 8.836 -5.183 -3.359 458 HA PRO 60 HA PRO 60 1.542 -6.959 4.093 459 1HB PRO 60 2HB PRO 60 -1.083 -5.876 3.275 460 2HB PRO 60 1HB PRO 60 -0.137 -5.550 4.727 461 1HG PRO 60 2HG PRO 60 -0.375 -3.740 2.762 462 2HG PRO 60 1HG PRO 60 1.112 -3.905 3.708 463 1HD PRO 60 1HD PRO 60 0.516 -4.832 0.937 464 2HD PRO 60 2HD PRO 60 2.026 -4.191 1.615 465 H ILE 61 H ILE 61 1.152 -9.067 4.263 466 HA ILE 61 HA ILE 61 -1.143 -10.206 2.834 467 HB ILE 61 HB ILE 61 1.541 -11.587 2.976 468 1HG1 ILE 61 2HG1 ILE 61 1.456 -9.582 1.437 469 2HG1 ILE 61 1HG1 ILE 61 1.841 -11.112 0.656 470 1HG2 ILE 61 1HG2 ILE 61 -0.616 -12.944 2.949 471 2HG2 ILE 61 3HG2 ILE 61 -0.827 -12.357 1.300 472 3HG2 ILE 61 2HG2 ILE 61 0.590 -13.320 1.718 473 1HD1 ILE 61 1HD1 ILE 61 -0.853 -11.048 0.383 474 2HD1 ILE 61 3HD1 ILE 61 -0.450 -9.334 0.292 475 3HD1 ILE 61 2HD1 ILE 61 0.298 -10.476 -0.825 476 H VAL 62 H VAL 62 -2.358 -11.519 4.071 477 HA VAL 62 HA VAL 62 -1.297 -12.252 6.720 478 HB VAL 62 HB VAL 62 -4.142 -12.582 6.558 479 1HG1 VAL 62 1HG1 VAL 62 -2.798 -12.289 8.601 480 2HG1 VAL 62 3HG1 VAL 62 -2.469 -10.623 8.127 481 3HG1 VAL 62 2HG1 VAL 62 -4.119 -11.125 8.494 482 1HG2 VAL 62 2HG2 VAL 62 -3.118 -9.860 5.765 483 2HG2 VAL 62 1HG2 VAL 62 -4.136 -10.931 4.801 484 3HG2 VAL 62 3HG2 VAL 62 -4.769 -10.207 6.279 485 H LYS 63 H LYS 63 -2.808 -13.437 3.817 486 HA LYS 63 HA LYS 63 -2.593 -16.179 4.876 487 1HB LYS 63 2HB LYS 63 -4.958 -15.300 4.499 488 2HB LYS 63 1HB LYS 63 -4.585 -15.318 2.781 489 1HG LYS 63 2HG LYS 63 -4.994 -17.491 2.645 490 2HG LYS 63 1HG LYS 63 -3.910 -17.841 3.993 491 1HD LYS 63 2HD LYS 63 -6.657 -16.732 4.461 492 2HD LYS 63 1HD LYS 63 -6.402 -18.461 4.221 493 1HE LYS 63 2HE LYS 63 -4.622 -18.240 6.065 494 2HE LYS 63 1HE LYS 63 -5.397 -16.700 6.428 495 1HZ LYS 63 1HZ LYS 63 -7.014 -19.152 6.241 496 2HZ LYS 63 3HZ LYS 63 -6.155 -18.813 7.660 497 3HZ LYS 63 2HZ LYS 63 -7.328 -17.729 7.101 498 HA PRO 64 HA PRO 64 0.312 -15.784 1.302 499 1HB PRO 64 2HB PRO 64 1.962 -17.763 2.268 500 2HB PRO 64 1HB PRO 64 2.143 -16.046 2.633 501 1HG PRO 64 2HG PRO 64 0.899 -18.213 4.266 502 2HG PRO 64 1HG PRO 64 1.910 -16.855 4.787 503 1HD PRO 64 1HD PRO 64 -0.771 -16.856 5.094 504 2HD PRO 64 2HD PRO 64 0.144 -15.369 4.769 505 H GLY 65 H GLY 65 0.202 -16.965 -0.523 506 1HA GLY 65 2HA GLY 65 -1.597 -18.710 -1.285 507 2HA GLY 65 1HA GLY 65 -0.563 -19.790 -0.361 508 HA PRO 66 HA PRO 66 1.153 -20.213 -4.535 509 1HB PRO 66 2HB PRO 66 -0.314 -19.180 -6.585 510 2HB PRO 66 1HB PRO 66 -0.703 -20.705 -5.786 511 1HG PRO 66 2HG PRO 66 -1.886 -17.988 -5.365 512 2HG PRO 66 1HG PRO 66 -2.700 -19.561 -5.461 513 1HD PRO 66 2HD PRO 66 -2.195 -18.334 -3.106 514 2HD PRO 66 1HD PRO 66 -2.185 -20.101 -3.277 515 H ASN 67 H ASN 67 -0.349 -17.260 -5.734 516 HA ASN 67 HA ASN 67 2.321 -16.027 -5.850 517 1HB ASN 67 2HB ASN 67 0.686 -14.541 -7.521 518 2HB ASN 67 1HB ASN 67 1.821 -15.790 -8.027 519 1HD2 ASN 67 2HD2 ASN 67 -1.449 -15.583 -6.659 520 2HD2 ASN 67 1HD2 ASN 67 -2.148 -16.753 -7.718 521 H CYS 68 H CYS 68 -0.882 -15.716 -4.622 522 HA CYS 68 HA CYS 68 -0.603 -12.902 -3.979 523 1HB CYS 68 2HB CYS 68 -2.799 -13.876 -4.630 524 2HB CYS 68 1HB CYS 68 -2.770 -14.850 -3.164 525 H GLY 69 H GLY 69 1.460 -14.318 -2.858 526 1HA GLY 69 1HA GLY 69 0.922 -15.148 -0.181 527 2HA GLY 69 2HA GLY 69 1.499 -13.487 -0.227 528 H PHE 70 H PHE 70 2.412 -16.266 -2.237 529 HA PHE 70 HA PHE 70 4.409 -17.281 -2.617 530 1HB PHE 70 2HB PHE 70 5.212 -14.470 -1.980 531 2HB PHE 70 1HB PHE 70 6.461 -15.696 -2.164 532 HD1 PHE 70 HD1 PHE 70 6.235 -17.171 -4.338 533 HD2 PHE 70 HD2 PHE 70 4.550 -13.295 -3.836 534 HE1 PHE 70 HE1 PHE 70 6.150 -16.896 -6.781 535 HE2 PHE 70 HE2 PHE 70 4.462 -13.014 -6.278 536 HZ PHE 70 HZ PHE 70 5.262 -14.814 -7.755 537 H GLY 71 H GLY 71 3.166 -17.474 0.029 538 1HA GLY 71 1HA GLY 71 5.243 -18.868 1.364 539 2HA GLY 71 2HA GLY 71 3.649 -18.519 2.021 540 H LYS 72 H LYS 72 4.120 -15.591 1.520 541 HA LYS 72 HA LYS 72 6.242 -14.980 3.419 542 1HB LYS 72 2HB LYS 72 4.496 -13.280 1.646 543 2HB LYS 72 1HB LYS 72 5.545 -12.580 2.873 544 1HG LYS 72 2HG LYS 72 7.468 -13.152 1.754 545 2HG LYS 72 1HG LYS 72 6.695 -14.481 0.888 546 1HD LYS 72 2HD LYS 72 5.812 -13.107 -0.717 547 2HD LYS 72 1HD LYS 72 5.739 -11.714 0.362 548 1HE LYS 72 2HE LYS 72 7.519 -11.010 -0.819 549 2HE LYS 72 1HE LYS 72 8.411 -12.109 0.232 550 1HZ LYS 72 2HZ LYS 72 7.258 -13.310 -2.142 551 2HZ LYS 72 1HZ LYS 72 8.503 -12.202 -2.427 552 3HZ LYS 72 3HZ LYS 72 8.777 -13.546 -1.437 553 H THR 73 H THR 73 5.896 -13.720 5.307 554 HA THR 73 HA THR 73 3.142 -13.857 6.347 555 HB THR 73 HB THR 73 4.672 -13.826 8.605 556 HG1 THR 73 HG1 THR 73 6.460 -15.026 8.314 557 1HG2 THR 73 3HG2 THR 73 3.355 -15.990 7.029 558 2HG2 THR 73 2HG2 THR 73 4.288 -16.423 8.462 559 3HG2 THR 73 1HG2 THR 73 2.920 -15.319 8.601 560 H GLY 74 H GLY 74 2.288 -12.014 7.090 561 1HA GLY 74 2HA GLY 74 3.850 -9.920 8.254 562 2HA GLY 74 1HA GLY 74 2.132 -9.851 7.877 563 H ILE 75 H ILE 75 3.396 -7.586 7.440 564 HA ILE 75 HA ILE 75 3.156 -7.219 4.619 565 HB ILE 75 HB ILE 75 4.164 -5.270 6.695 566 1HG1 ILE 75 1HG1 ILE 75 1.413 -5.969 5.700 567 2HG1 ILE 75 2HG1 ILE 75 1.974 -5.796 7.360 568 1HG2 ILE 75 3HG2 ILE 75 4.204 -5.117 3.903 569 2HG2 ILE 75 2HG2 ILE 75 2.852 -4.107 4.418 570 3HG2 ILE 75 1HG2 ILE 75 4.470 -3.808 5.055 571 1HD1 ILE 75 3HD1 ILE 75 2.167 -3.378 7.028 572 2HD1 ILE 75 2HD1 ILE 75 1.559 -3.570 5.384 573 3HD1 ILE 75 1HD1 ILE 75 0.525 -3.965 6.757 574 H ILE 76 H ILE 76 4.673 -7.640 3.177 575 HA ILE 76 HA ILE 76 7.456 -7.862 3.993 576 HB ILE 76 HB ILE 76 6.424 -8.274 1.199 577 1HG1 ILE 76 2HG1 ILE 76 4.991 -9.673 2.483 578 2HG1 ILE 76 1HG1 ILE 76 6.265 -10.723 1.872 579 1HG2 ILE 76 2HG2 ILE 76 8.955 -8.369 2.328 580 2HG2 ILE 76 1HG2 ILE 76 8.477 -10.060 2.174 581 3HG2 ILE 76 3HG2 ILE 76 8.474 -9.010 0.757 582 1HD1 ILE 76 2HD1 ILE 76 7.391 -10.606 4.034 583 2HD1 ILE 76 1HD1 ILE 76 6.104 -9.565 4.643 584 3HD1 ILE 76 3HD1 ILE 76 5.748 -11.229 4.181 585 H ASP 77 H ASP 77 7.780 -5.601 4.408 586 HA ASP 77 HA ASP 77 7.973 -3.954 1.976 587 1HB ASP 77 2HB ASP 77 6.553 -2.834 3.489 588 2HB ASP 77 1HB ASP 77 7.564 -3.237 4.871 589 H TYR 78 H TYR 78 9.897 -3.152 1.342 590 HA TYR 78 HA TYR 78 12.244 -3.936 2.924 591 1HB TYR 78 2HB TYR 78 12.028 -3.196 -0.003 592 2HB TYR 78 1HB TYR 78 13.509 -3.680 0.818 593 HD1 TYR 78 HD1 TYR 78 10.023 -4.951 0.331 594 HD2 TYR 78 HD2 TYR 78 14.168 -5.874 0.584 595 HE1 TYR 78 HE1 TYR 78 9.521 -7.308 -0.162 596 HE2 TYR 78 HE2 TYR 78 13.679 -8.233 0.090 597 HH TYR 78 HH TYR 78 11.635 -9.786 0.366 598 H GLY 79 H GLY 79 10.543 -1.522 3.347 599 1HA GLY 79 2HA GLY 79 12.649 0.330 3.827 600 2HA GLY 79 1HA GLY 79 10.927 0.639 4.042 601 H ILE 80 H ILE 80 12.151 2.743 3.162 602 HA ILE 80 HA ILE 80 11.016 3.291 0.654 603 HB ILE 80 HB ILE 80 13.233 4.813 2.030 604 1HG1 ILE 80 1HG1 ILE 80 10.274 5.389 2.154 605 2HG1 ILE 80 2HG1 ILE 80 11.086 4.387 3.351 606 1HG2 ILE 80 1HG2 ILE 80 11.936 5.174 -0.485 607 2HG2 ILE 80 3HG2 ILE 80 11.494 6.503 0.587 608 3HG2 ILE 80 2HG2 ILE 80 13.193 6.157 0.267 609 1HD1 ILE 80 2HD1 ILE 80 12.217 7.068 2.796 610 2HD1 ILE 80 1HD1 ILE 80 10.714 6.966 3.713 611 3HD1 ILE 80 3HD1 ILE 80 12.162 6.146 4.299 612 H ARG 81 H ARG 81 11.662 2.703 -1.299 613 HA ARG 81 HA ARG 81 14.261 1.561 -1.737 614 1HB ARG 81 2HB ARG 81 11.753 1.860 -3.276 615 2HB ARG 81 1HB ARG 81 13.229 1.781 -4.229 616 1HG ARG 81 2HG ARG 81 12.309 -0.260 -2.214 617 2HG ARG 81 1HG ARG 81 12.236 -0.418 -3.971 618 1HD ARG 81 2HD ARG 81 14.768 -0.038 -3.921 619 2HD ARG 81 1HD ARG 81 14.652 -0.361 -2.192 620 HE ARG 81 HE ARG 81 13.541 -2.534 -2.986 621 1HH1 ARG 81 1HH1 ARG 81 16.079 -0.855 -4.679 622 2HH1 ARG 81 2HH1 ARG 81 16.711 -2.288 -5.419 623 1HH2 ARG 81 1HH2 ARG 81 14.365 -4.429 -3.956 624 2HH2 ARG 81 2HH2 ARG 81 15.736 -4.320 -5.009 625 H LEU 82 H LEU 82 13.495 4.627 -1.314 626 HA LEU 82 HA LEU 82 14.393 6.633 -1.896 627 1HB LEU 82 2HB LEU 82 16.468 4.878 -1.754 628 2HB LEU 82 1HB LEU 82 16.658 5.489 -3.384 629 HG LEU 82 HG LEU 82 18.040 6.821 -1.997 630 1HD1 LEU 82 2HD1 LEU 82 15.522 8.087 -2.934 631 2HD1 LEU 82 1HD1 LEU 82 16.632 9.053 -1.960 632 3HD1 LEU 82 3HD1 LEU 82 17.183 8.332 -3.473 633 1HD2 LEU 82 1HD2 LEU 82 16.881 6.158 0.128 634 2HD2 LEU 82 3HD2 LEU 82 17.376 7.848 0.038 635 3HD2 LEU 82 2HD2 LEU 82 15.687 7.409 -0.216 636 H ASN 83 H ASN 83 12.541 5.368 -3.715 637 HA ASN 83 HA ASN 83 13.010 7.041 -6.009 638 1HB ASN 83 2HB ASN 83 14.187 4.714 -6.348 639 2HB ASN 83 1HB ASN 83 12.549 4.159 -6.680 640 1HD2 ASN 83 1HD2 ASN 83 14.258 7.168 -7.447 641 2HD2 ASN 83 2HD2 ASN 83 14.005 7.079 -9.152 642 H ARG 84 H ARG 84 11.073 7.912 -4.985 643 HA ARG 84 HA ARG 84 8.674 6.478 -4.734 644 1HB ARG 84 2HB ARG 84 9.000 9.434 -5.265 645 2HB ARG 84 1HB ARG 84 7.608 8.643 -4.544 646 1HG ARG 84 2HG ARG 84 8.621 8.378 -2.522 647 2HG ARG 84 1HG ARG 84 10.239 8.303 -3.219 648 1HD ARG 84 2HD ARG 84 9.280 10.860 -3.819 649 2HD ARG 84 1HD ARG 84 8.807 10.560 -2.148 650 HE ARG 84 HE ARG 84 11.146 10.180 -1.642 651 1HH1 ARG 84 1HH1 ARG 84 10.431 11.670 -4.708 652 2HH1 ARG 84 2HH1 ARG 84 12.002 12.380 -4.876 653 1HH2 ARG 84 1HH2 ARG 84 13.218 11.112 -1.855 654 2HH2 ARG 84 2HH2 ARG 84 13.585 12.063 -3.255 655 H SER 85 H SER 85 10.365 7.318 -7.487 656 HA SER 85 HA SER 85 8.100 7.797 -9.208 657 1HB SER 85 2HB SER 85 10.959 8.062 -9.394 658 2HB SER 85 1HB SER 85 10.360 7.134 -10.769 659 HG SER 85 HG SER 85 8.793 9.287 -10.217 660 H GLU 86 H GLU 86 8.565 5.197 -7.643 661 HA GLU 86 HA GLU 86 8.875 3.202 -9.693 662 1HB GLU 86 2HB GLU 86 8.322 3.174 -6.753 663 2HB GLU 86 1HB GLU 86 7.992 1.729 -7.699 664 1HG GLU 86 2HG GLU 86 10.610 2.853 -8.256 665 2HG GLU 86 1HG GLU 86 10.396 2.423 -6.559 666 H ARG 87 H ARG 87 7.031 1.330 -9.370 667 HA ARG 87 HA ARG 87 4.416 2.632 -9.636 668 1HB ARG 87 2HB ARG 87 5.131 0.412 -11.505 669 2HB ARG 87 1HB ARG 87 3.917 1.668 -11.677 670 1HG ARG 87 2HG ARG 87 5.329 3.042 -12.716 671 2HG ARG 87 1HG ARG 87 6.627 2.722 -11.564 672 1HD ARG 87 2HD ARG 87 7.635 1.349 -12.990 673 2HD ARG 87 1HD ARG 87 6.159 0.408 -13.203 674 HE ARG 87 HE ARG 87 5.538 2.165 -14.890 675 1HH1 ARG 87 2HH1 ARG 87 8.859 1.450 -14.123 676 2HH1 ARG 87 1HH1 ARG 87 9.461 1.958 -15.666 677 1HH2 ARG 87 1HH2 ARG 87 6.318 2.835 -16.926 678 2HH2 ARG 87 2HH2 ARG 87 8.015 2.746 -17.260 679 H TRP 88 H TRP 88 3.112 1.778 -8.217 680 HA TRP 88 HA TRP 88 2.869 -1.106 -7.950 681 1HB TRP 88 2HB TRP 88 3.222 0.532 -5.442 682 2HB TRP 88 1HB TRP 88 3.224 -1.220 -5.611 683 HD1 TRP 88 HD1 TRP 88 5.514 1.687 -5.410 684 HE1 TRP 88 HE1 TRP 88 7.938 0.944 -5.864 685 HE3 TRP 88 HE3 TRP 88 4.602 -3.004 -7.228 686 HZ2 TRP 88 HZ2 TRP 88 9.284 -1.330 -6.858 687 HZ3 TRP 88 HZ3 TRP 88 6.511 -4.399 -7.907 688 HH2 TRP 88 HH2 TRP 88 8.804 -3.578 -7.725 689 H ASP 89 H ASP 89 1.505 -0.259 -5.262 690 HA ASP 89 HA ASP 89 -0.987 0.695 -6.508 691 1HB ASP 89 2HB ASP 89 -0.944 -0.974 -4.009 692 2HB ASP 89 1HB ASP 89 -2.265 -0.721 -5.146 693 H ALA 90 H ALA 90 -2.485 1.245 -4.345 694 HA ALA 90 HA ALA 90 -0.933 2.964 -2.569 695 1HB ALA 90 1HB ALA 90 -1.513 4.347 -4.537 696 2HB ALA 90 2HB ALA 90 -2.244 4.932 -3.043 697 3HB ALA 90 3HB ALA 90 -3.220 4.044 -4.213 698 H TYR 91 H TYR 91 -1.735 2.914 -0.541 699 HA TYR 91 HA TYR 91 -4.327 1.616 -0.139 700 1HB TYR 91 2HB TYR 91 -1.912 2.036 1.598 701 2HB TYR 91 1HB TYR 91 -3.469 1.643 2.313 702 HD1 TYR 91 HD1 TYR 91 -4.620 -0.514 1.575 703 HD2 TYR 91 HD2 TYR 91 -0.551 0.359 0.689 704 HE1 TYR 91 HE1 TYR 91 -4.215 -2.892 1.124 705 HE2 TYR 91 HE2 TYR 91 -0.138 -2.021 0.233 706 HH TYR 91 HH TYR 91 -2.349 -4.155 -0.454 707 H CYS 92 H CYS 92 -5.984 2.994 -0.061 708 HA CYS 92 HA CYS 92 -5.595 5.702 0.891 709 1HB CYS 92 2HB CYS 92 -7.767 4.240 -0.534 710 2HB CYS 92 1HB CYS 92 -8.191 5.691 0.367 711 H TYR 93 H TYR 93 -6.169 6.481 2.804 712 HA TYR 93 HA TYR 93 -7.837 4.834 4.576 713 1HB TYR 93 2HB TYR 93 -5.543 4.497 5.248 714 2HB TYR 93 1HB TYR 93 -5.242 6.222 5.243 715 HD1 TYR 93 HD1 TYR 93 -7.399 7.382 6.756 716 HD2 TYR 93 HD2 TYR 93 -5.378 3.695 7.395 717 HE1 TYR 93 HE1 TYR 93 -7.985 7.483 9.140 718 HE2 TYR 93 HE2 TYR 93 -5.962 3.780 9.780 719 HH TYR 93 HH TYR 93 -7.825 4.900 11.182 720 H ASN 94 H ASN 94 -9.616 5.953 4.995 721 HA ASN 94 HA ASN 94 -9.367 8.816 5.616 722 1HB ASN 94 2HB ASN 94 -11.552 7.548 3.948 723 2HB ASN 94 1HB ASN 94 -11.519 9.229 4.471 724 1HD2 ASN 94 2HD2 ASN 94 -11.677 9.708 2.202 725 2HD2 ASN 94 1HD2 ASN 94 -10.250 9.715 1.229 726 HA PRO 95 HA PRO 95 -11.676 8.140 9.297 727 1HB PRO 95 2HB PRO 95 -13.693 10.049 9.036 728 2HB PRO 95 1HB PRO 95 -12.087 10.338 9.714 729 1HG PRO 95 2HG PRO 95 -13.121 10.895 6.972 730 2HG PRO 95 1HG PRO 95 -11.988 11.835 7.959 731 1HD PRO 95 1HD PRO 95 -11.145 10.321 5.914 732 2HD PRO 95 2HD PRO 95 -10.189 10.487 7.402 733 H HIS 96 H HIS 96 -13.867 8.884 6.589 734 HA HIS 96 HA HIS 96 -15.641 6.725 7.499 735 1HB HIS 96 2HB HIS 96 -16.536 9.093 7.171 736 2HB HIS 96 1HB HIS 96 -16.300 8.836 5.445 737 HD1 HIS 96 HD1 HIS 96 -18.820 8.958 4.949 738 HD2 HIS 96 HD2 HIS 96 -17.774 5.944 7.611 739 HE1 HIS 96 HE1 HIS 96 -20.861 7.502 5.152 740 HE2 HIS 96 HE2 HIS 96 -20.231 5.733 6.832 741 H ALA 97 H ALA 97 -13.612 7.816 4.911 742 HA ALA 97 HA ALA 97 -13.358 7.019 2.731 743 1HB ALA 97 3HB ALA 97 -11.559 5.892 3.468 744 2HB ALA 97 1HB ALA 97 -12.560 4.469 3.173 745 3HB ALA 97 2HB ALA 97 -12.444 5.143 4.798 746 H LYS 98 H LYS 98 -15.750 7.141 2.306 747 HA LYS 98 HA LYS 98 -17.063 4.535 2.180 748 1HB LYS 98 2HB LYS 98 -18.088 6.899 2.889 749 2HB LYS 98 1HB LYS 98 -18.392 6.993 1.159 750 1HG LYS 98 2HG LYS 98 -19.182 4.495 2.539 751 2HG LYS 98 1HG LYS 98 -20.134 5.945 2.866 752 1HD LYS 98 2HD LYS 98 -19.931 6.077 0.171 753 2HD LYS 98 1HD LYS 98 -19.921 4.330 0.413 754 1HE LYS 98 2HE LYS 98 -22.097 4.299 0.886 755 2HE LYS 98 1HE LYS 98 -21.930 5.615 2.047 756 1HZ LYS 98 2HZ LYS 98 -21.946 6.149 -0.855 757 2HZ LYS 98 1HZ LYS 98 -23.394 5.981 0.002 758 3HZ LYS 98 3HZ LYS 98 -22.301 7.203 0.418 No H/Q in entry = 758 Start of MODEL 14 1 H1 GLY 1 2H GLY 1 -11.161 5.287 7.811 2 H2 GLY 1 1H GLY 1 -11.955 4.751 9.205 3 H3 GLY 1 3H GLY 1 -10.310 5.145 9.266 4 1HA GLY 1 2HA GLY 1 -11.596 2.812 7.985 5 2HA GLY 1 1HA GLY 1 -10.354 2.820 9.226 6 H VAL 2 H VAL 2 -9.445 1.263 7.573 7 HA VAL 2 HA VAL 2 -7.759 2.772 5.684 8 HB VAL 2 HB VAL 2 -7.037 0.009 6.539 9 1HG1 VAL 2 1HG1 VAL 2 -5.589 2.480 5.654 10 2HG1 VAL 2 3HG1 VAL 2 -4.738 1.154 6.447 11 3HG1 VAL 2 2HG1 VAL 2 -5.589 0.872 4.928 12 1HG2 VAL 2 2HG2 VAL 2 -7.608 1.855 8.480 13 2HG2 VAL 2 1HG2 VAL 2 -6.519 0.479 8.658 14 3HG2 VAL 2 3HG2 VAL 2 -5.873 2.067 8.243 15 H TYR 3 H TYR 3 -7.656 2.176 3.573 16 HA TYR 3 HA TYR 3 -8.793 -0.368 2.753 17 1HB TYR 3 2HB TYR 3 -10.154 0.812 0.939 18 2HB TYR 3 1HB TYR 3 -10.796 0.833 2.573 19 HD1 TYR 3 HD1 TYR 3 -9.866 2.991 3.974 20 HD2 TYR 3 HD2 TYR 3 -10.365 2.757 -0.244 21 HE1 TYR 3 HE1 TYR 3 -10.041 5.442 3.864 22 HE2 TYR 3 HE2 TYR 3 -10.544 5.206 -0.366 23 HH TYR 3 HH TYR 3 -10.824 7.095 0.853 24 H HIS 4 H HIS 4 -8.420 -0.857 0.491 25 HA HIS 4 HA HIS 4 -5.916 0.380 -0.425 26 1HB HIS 4 2HB HIS 4 -5.501 -1.898 -0.077 27 2HB HIS 4 1HB HIS 4 -7.067 -2.379 -0.723 28 HD1 HIS 4 HD1 HIS 4 -7.250 -2.732 -3.241 29 HD2 HIS 4 HD2 HIS 4 -3.523 -1.349 -2.031 30 HE1 HIS 4 HE1 HIS 4 -5.759 -2.971 -5.252 31 HE2 HIS 4 HE2 HIS 4 -3.486 -2.218 -4.465 32 H ARG 5 H ARG 5 -5.576 0.593 -2.734 33 HA ARG 5 HA ARG 5 -7.782 0.454 -4.551 34 1HB ARG 5 2HB ARG 5 -7.343 2.876 -3.045 35 2HB ARG 5 1HB ARG 5 -7.130 3.173 -4.763 36 1HG ARG 5 2HG ARG 5 -9.485 1.581 -4.265 37 2HG ARG 5 1HG ARG 5 -9.525 3.097 -3.363 38 1HD ARG 5 2HD ARG 5 -8.792 4.159 -5.614 39 2HD ARG 5 1HD ARG 5 -9.387 2.656 -6.319 40 HE ARG 5 HE ARG 5 -11.182 4.136 -4.555 41 1HH1 ARG 5 1HH1 ARG 5 -10.271 3.196 -7.782 42 2HH1 ARG 5 2HH1 ARG 5 -11.794 3.635 -8.480 43 1HH2 ARG 5 2HH2 ARG 5 -13.192 4.716 -5.463 44 2HH2 ARG 5 1HH2 ARG 5 -13.455 4.498 -7.161 45 H GLU 6 H GLU 6 -7.179 1.384 -6.717 46 HA GLU 6 HA GLU 6 -4.259 1.310 -7.112 47 1HB GLU 6 2HB GLU 6 -6.148 -0.520 -8.091 48 2HB GLU 6 1HB GLU 6 -5.712 0.483 -9.468 49 1HG GLU 6 2HG GLU 6 -4.256 -1.373 -9.473 50 2HG GLU 6 1HG GLU 6 -3.315 0.018 -8.936 51 H ALA 7 H ALA 7 -4.170 1.883 -9.779 52 HA ALA 7 HA ALA 7 -4.373 4.685 -9.808 53 1HB ALA 7 3HB ALA 7 -3.430 4.604 -11.905 54 2HB ALA 7 2HB ALA 7 -2.932 3.046 -11.246 55 3HB ALA 7 1HB ALA 7 -4.298 3.137 -12.357 56 H ARG 8 H ARG 8 -5.441 5.496 -12.156 57 HA ARG 8 HA ARG 8 -8.060 6.025 -11.657 58 1HB ARG 8 2HB ARG 8 -6.386 6.006 -14.082 59 2HB ARG 8 1HB ARG 8 -8.116 5.928 -14.381 60 1HG ARG 8 2HG ARG 8 -6.859 8.009 -12.617 61 2HG ARG 8 1HG ARG 8 -7.094 8.227 -14.352 62 1HD ARG 8 2HD ARG 8 -9.563 7.436 -13.652 63 2HD ARG 8 1HD ARG 8 -9.064 8.216 -12.152 64 HE ARG 8 HE ARG 8 -8.637 9.751 -14.573 65 1HH1 ARG 8 2HH1 ARG 8 -10.725 9.060 -11.873 66 2HH1 ARG 8 1HH1 ARG 8 -11.580 10.562 -11.982 67 1HH2 ARG 8 1HH2 ARG 8 -9.757 11.734 -14.726 68 2HH2 ARG 8 2HH2 ARG 8 -11.029 12.083 -13.604 69 H SER 9 H SER 9 -6.740 3.140 -13.146 70 HA SER 9 HA SER 9 -8.942 1.539 -12.480 71 1HB SER 9 2HB SER 9 -10.020 2.887 -14.299 72 2HB SER 9 1HB SER 9 -8.841 2.218 -15.427 73 HG SER 9 HG SER 9 -9.738 0.247 -15.224 74 H GLY 10 H GLY 10 -5.906 1.765 -12.847 75 1HA GLY 10 2HA GLY 10 -4.451 0.359 -14.384 76 2HA GLY 10 1HA GLY 10 -5.585 -0.929 -14.011 77 H LYS 11 H LYS 11 -3.695 -2.079 -13.302 78 HA LYS 11 HA LYS 11 -3.131 -1.558 -10.483 79 1HB LYS 11 2HB LYS 11 -4.020 -3.764 -11.120 80 2HB LYS 11 1HB LYS 11 -2.623 -4.021 -12.155 81 1HG LYS 11 2HG LYS 11 -1.422 -4.775 -10.457 82 2HG LYS 11 1HG LYS 11 -1.766 -3.330 -9.504 83 1HD LYS 11 2HD LYS 11 -3.474 -4.317 -8.376 84 2HD LYS 11 1HD LYS 11 -3.944 -5.320 -9.751 85 1HE LYS 11 2HE LYS 11 -1.419 -6.240 -9.061 86 2HE LYS 11 1HE LYS 11 -2.210 -5.938 -7.514 87 1HZ LYS 11 1HZ LYS 11 -3.913 -7.275 -9.391 88 2HZ LYS 11 3HZ LYS 11 -2.512 -8.160 -9.045 89 3HZ LYS 11 2HZ LYS 11 -3.543 -7.681 -7.792 90 H TYR 12 H TYR 12 -0.976 -1.896 -9.656 91 HA TYR 12 HA TYR 12 1.185 -1.143 -9.585 92 1HB TYR 12 2HB TYR 12 1.236 -3.004 -11.966 93 2HB TYR 12 1HB TYR 12 2.673 -2.417 -11.135 94 HD1 TYR 12 HD1 TYR 12 1.832 -2.580 -8.319 95 HD2 TYR 12 HD2 TYR 12 1.205 -5.295 -11.529 96 HE1 TYR 12 HE1 TYR 12 1.684 -4.435 -6.711 97 HE2 TYR 12 HE2 TYR 12 1.051 -7.160 -9.933 98 HH TYR 12 HH TYR 12 0.841 -7.699 -7.745 99 H LYS 13 H LYS 13 0.037 0.967 -10.420 100 HA LYS 13 HA LYS 13 1.799 2.037 -12.466 101 1HB LYS 13 2HB LYS 13 -1.211 2.131 -12.705 102 2HB LYS 13 1HB LYS 13 -0.117 3.122 -13.659 103 1HG LYS 13 2HG LYS 13 0.538 0.291 -13.776 104 2HG LYS 13 1HG LYS 13 -1.092 0.650 -14.351 105 1HD LYS 13 2HD LYS 13 0.559 2.640 -15.433 106 2HD LYS 13 1HD LYS 13 1.438 1.123 -15.632 107 1HE LYS 13 2HE LYS 13 -1.445 1.113 -16.306 108 2HE LYS 13 1HE LYS 13 -0.370 1.991 -17.394 109 1HZ LYS 13 1HZ LYS 13 0.267 -0.764 -16.560 110 2HZ LYS 13 3HZ LYS 13 -0.811 -0.481 -17.832 111 3HZ LYS 13 2HZ LYS 13 0.782 0.076 -17.934 112 H LEU 14 H LEU 14 0.745 2.238 -9.502 113 HA LEU 14 HA LEU 14 0.361 5.150 -9.454 114 1HB LEU 14 2HB LEU 14 -0.388 2.926 -7.599 115 2HB LEU 14 1HB LEU 14 -0.235 4.559 -6.988 116 HG LEU 14 HG LEU 14 -2.137 3.620 -9.133 117 1HD1 LEU 14 3HD1 LEU 14 -2.698 2.991 -6.803 118 2HD1 LEU 14 2HD1 LEU 14 -2.685 4.704 -6.376 119 3HD1 LEU 14 1HD1 LEU 14 -3.865 4.093 -7.535 120 1HD2 LEU 14 2HD2 LEU 14 -1.036 6.058 -9.118 121 2HD2 LEU 14 1HD2 LEU 14 -2.702 5.754 -9.609 122 3HD2 LEU 14 3HD2 LEU 14 -2.355 6.328 -7.979 123 H THR 15 H THR 15 1.948 6.410 -8.783 124 HA THR 15 HA THR 15 4.262 5.201 -7.446 125 HB THR 15 HB THR 15 5.595 6.848 -8.328 126 HG1 THR 15 HG1 THR 15 5.038 8.921 -8.348 127 1HG2 THR 15 1HG2 THR 15 3.878 5.726 -10.112 128 2HG2 THR 15 3HG2 THR 15 3.626 7.442 -10.429 129 3HG2 THR 15 2HG2 THR 15 5.244 6.751 -10.553 130 H TYR 16 H TYR 16 5.044 6.018 -5.481 131 HA TYR 16 HA TYR 16 3.426 6.617 -3.459 132 1HB TYR 16 2HB TYR 16 5.774 6.369 -3.039 133 2HB TYR 16 1HB TYR 16 6.147 7.831 -3.945 134 HD1 TYR 16 HD1 TYR 16 4.375 6.627 -0.900 135 HD2 TYR 16 HD2 TYR 16 6.274 9.896 -2.860 136 HE1 TYR 16 HE1 TYR 16 4.228 7.948 1.169 137 HE2 TYR 16 HE2 TYR 16 6.133 11.223 -0.795 138 HH TYR 16 HH TYR 16 4.993 11.336 1.247 139 H ALA 17 H ALA 17 4.619 9.012 -5.766 140 HA ALA 17 HA ALA 17 3.431 11.257 -4.504 141 1HB ALA 17 3HB ALA 17 4.240 10.918 -7.389 142 2HB ALA 17 2HB ALA 17 3.924 12.446 -6.566 143 3HB ALA 17 1HB ALA 17 5.297 11.448 -6.081 144 H GLU 18 H GLU 18 2.393 9.191 -7.216 145 HA GLU 18 HA GLU 18 -0.053 10.602 -7.626 146 1HB GLU 18 2HB GLU 18 0.776 7.825 -8.489 147 2HB GLU 18 1HB GLU 18 -0.617 8.706 -9.090 148 1HG GLU 18 2HG GLU 18 0.791 10.364 -10.101 149 2HG GLU 18 1HG GLU 18 2.225 9.638 -9.376 150 H ALA 19 H ALA 19 0.758 7.453 -6.203 151 HA ALA 19 HA ALA 19 -1.683 6.544 -5.412 152 1HB ALA 19 1HB ALA 19 -0.250 4.981 -4.720 153 2HB ALA 19 2HB ALA 19 -0.069 5.936 -3.248 154 3HB ALA 19 3HB ALA 19 1.067 6.146 -4.582 155 H LYS 20 H LYS 20 0.419 8.751 -3.582 156 HA LYS 20 HA LYS 20 -1.354 9.113 -1.414 157 1HB LYS 20 2HB LYS 20 1.151 9.639 -1.544 158 2HB LYS 20 1HB LYS 20 0.679 11.138 -2.330 159 1HG LYS 20 2HG LYS 20 -0.747 11.621 -0.317 160 2HG LYS 20 1HG LYS 20 0.022 10.235 0.461 161 1HD LYS 20 2HD LYS 20 2.192 11.267 0.256 162 2HD LYS 20 1HD LYS 20 1.507 12.605 -0.669 163 1HE LYS 20 2HE LYS 20 0.855 13.679 1.175 164 2HE LYS 20 1HE LYS 20 0.173 12.216 1.882 165 1HZ LYS 20 2HZ LYS 20 3.080 12.792 1.863 166 2HZ LYS 20 1HZ LYS 20 2.060 13.242 3.135 167 3HZ LYS 20 3HZ LYS 20 2.265 11.606 2.753 168 H ALA 21 H ALA 21 -0.574 11.294 -4.125 169 HA ALA 21 HA ALA 21 -2.252 13.362 -3.690 170 1HB ALA 21 3HB ALA 21 -2.521 13.517 -6.195 171 2HB ALA 21 1HB ALA 21 -1.633 11.995 -6.295 172 3HB ALA 21 2HB ALA 21 -0.862 13.423 -5.601 173 H VAL 22 H VAL 22 -3.197 10.238 -5.049 174 HA VAL 22 HA VAL 22 -5.899 10.936 -5.544 175 HB VAL 22 HB VAL 22 -4.403 8.353 -5.382 176 1HG1 VAL 22 1HG1 VAL 22 -7.404 8.599 -5.555 177 2HG1 VAL 22 3HG1 VAL 22 -6.486 7.124 -5.857 178 3HG1 VAL 22 2HG1 VAL 22 -6.483 7.851 -4.250 179 1HG2 VAL 22 2HG2 VAL 22 -5.579 10.083 -7.439 180 2HG2 VAL 22 1HG2 VAL 22 -4.200 8.989 -7.526 181 3HG2 VAL 22 3HG2 VAL 22 -5.838 8.357 -7.686 182 H CYS 23 H CYS 23 -4.376 9.108 -2.906 183 HA CYS 23 HA CYS 23 -6.735 8.682 -1.438 184 1HB CYS 23 2HB CYS 23 -3.821 8.697 -0.674 185 2HB CYS 23 1HB CYS 23 -5.091 8.345 0.491 186 H GLU 24 H GLU 24 -4.203 11.153 -1.133 187 HA GLU 24 HA GLU 24 -5.551 12.539 0.977 188 1HB GLU 24 2HB GLU 24 -3.043 12.535 0.513 189 2HB GLU 24 1HB GLU 24 -3.383 13.660 -0.794 190 1HG GLU 24 2HG GLU 24 -3.999 15.356 0.647 191 2HG GLU 24 1HG GLU 24 -4.348 14.244 1.969 192 H PHE 25 H PHE 25 -6.040 12.340 -2.325 193 HA PHE 25 HA PHE 25 -6.685 14.921 -3.117 194 1HB PHE 25 2HB PHE 25 -6.775 12.463 -4.294 195 2HB PHE 25 1HB PHE 25 -8.490 12.821 -4.121 196 HD1 PHE 25 HD1 PHE 25 -5.316 14.241 -5.420 197 HD2 PHE 25 HD2 PHE 25 -9.564 14.182 -5.657 198 HE1 PHE 25 HE1 PHE 25 -5.216 15.652 -7.432 199 HE2 PHE 25 HE2 PHE 25 -9.474 15.595 -7.672 200 HZ PHE 25 HZ PHE 25 -7.298 16.331 -8.561 201 H GLU 26 H GLU 26 -8.818 12.444 -1.742 202 HA GLU 26 HA GLU 26 -10.889 14.465 -1.324 203 1HB GLU 26 2HB GLU 26 -11.052 11.492 -0.832 204 2HB GLU 26 1HB GLU 26 -12.391 12.629 -0.909 205 1HG GLU 26 2HG GLU 26 -11.887 13.045 -3.269 206 2HG GLU 26 1HG GLU 26 -10.573 11.874 -3.183 207 H GLY 27 H GLY 27 -9.039 15.198 0.280 208 1HA GLY 27 1HA GLY 27 -10.070 15.212 2.824 209 2HA GLY 27 2HA GLY 27 -8.384 15.537 2.456 210 H GLY 28 H GLY 28 -8.041 12.780 1.365 211 1HA GLY 28 2HA GLY 28 -8.107 10.538 2.280 212 2HA GLY 28 1HA GLY 28 -8.195 11.253 3.886 213 H HIS 29 H HIS 29 -6.334 9.332 3.496 214 HA HIS 29 HA HIS 29 -3.810 10.519 2.736 215 1HB HIS 29 2HB HIS 29 -3.374 9.496 5.367 216 2HB HIS 29 1HB HIS 29 -3.089 11.124 4.762 217 HD1 HIS 29 HD1 HIS 29 -4.908 12.904 5.240 218 HD2 HIS 29 HD2 HIS 29 -5.715 9.163 6.859 219 HE1 HIS 29 HE1 HIS 29 -6.795 13.267 6.863 220 HE2 HIS 29 HE2 HIS 29 -7.211 11.004 7.890 221 H LEU 30 H LEU 30 -2.425 8.988 2.035 222 HA LEU 30 HA LEU 30 -3.323 6.330 1.777 223 1HB LEU 30 2HB LEU 30 -1.696 6.178 0.282 224 2HB LEU 30 1HB LEU 30 -1.334 7.859 0.618 225 HG LEU 30 HG LEU 30 0.098 6.612 2.572 226 1HD1 LEU 30 1HD1 LEU 30 -0.664 4.491 1.081 227 2HD1 LEU 30 3HD1 LEU 30 0.859 4.918 0.300 228 3HD1 LEU 30 2HD1 LEU 30 0.823 4.560 2.028 229 1HD2 LEU 30 2HD2 LEU 30 0.634 7.836 -0.025 230 2HD2 LEU 30 1HD2 LEU 30 1.416 8.093 1.535 231 3HD2 LEU 30 3HD2 LEU 30 1.902 6.735 0.518 232 H ALA 31 H ALA 31 -3.274 4.715 3.136 233 HA ALA 31 HA ALA 31 -2.516 4.870 5.768 234 1HB ALA 31 2HB ALA 31 -3.260 2.713 3.935 235 2HB ALA 31 1HB ALA 31 -2.286 2.197 5.311 236 3HB ALA 31 3HB ALA 31 -3.806 3.050 5.577 237 H THR 32 H THR 32 -0.830 3.615 6.931 238 HA THR 32 HA THR 32 1.739 3.812 5.503 239 HB THR 32 HB THR 32 2.824 4.172 7.596 240 HG1 THR 32 HG1 THR 32 1.936 3.045 9.175 241 1HG2 THR 32 1HG2 THR 32 0.409 5.781 7.005 242 2HG2 THR 32 3HG2 THR 32 1.183 6.046 8.568 243 3HG2 THR 32 2HG2 THR 32 2.104 6.263 7.079 244 H TYR 33 H TYR 33 3.298 2.409 7.305 245 HA TYR 33 HA TYR 33 2.797 -0.291 6.485 246 1HB TYR 33 2HB TYR 33 5.074 0.257 6.571 247 2HB TYR 33 1HB TYR 33 4.918 1.069 8.120 248 HD1 TYR 33 HD1 TYR 33 4.552 -2.347 6.634 249 HD2 TYR 33 HD2 TYR 33 5.685 -0.012 10.006 250 HE1 TYR 33 HE1 TYR 33 5.317 -4.382 7.780 251 HE2 TYR 33 HE2 TYR 33 6.452 -2.041 11.161 252 HH TYR 33 HH TYR 33 7.272 -4.653 9.943 253 H LYS 34 H LYS 34 3.539 0.900 9.727 254 HA LYS 34 HA LYS 34 2.524 -1.183 11.180 255 1HB LYS 34 2HB LYS 34 2.817 1.737 11.776 256 2HB LYS 34 1HB LYS 34 2.040 0.689 12.950 257 1HG LYS 34 2HG LYS 34 4.239 -0.751 12.518 258 2HG LYS 34 1HG LYS 34 4.873 0.849 12.130 259 1HD LYS 34 2HD LYS 34 3.723 1.541 14.366 260 2HD LYS 34 1HD LYS 34 3.794 -0.188 14.717 261 1HE LYS 34 2HE LYS 34 6.323 0.424 13.752 262 2HE LYS 34 1HE LYS 34 5.898 1.803 14.767 263 1HZ LYS 34 2HZ LYS 34 5.337 0.188 16.540 264 2HZ LYS 34 1HZ LYS 34 5.947 -1.053 15.568 265 3HZ LYS 34 3HZ LYS 34 6.973 0.178 16.112 266 H GLN 35 H GLN 35 0.768 1.570 9.837 267 HA GLN 35 HA GLN 35 -1.685 1.041 11.140 268 1HB GLN 35 2HB GLN 35 -1.073 2.512 8.572 269 2HB GLN 35 1HB GLN 35 -2.645 2.497 9.351 270 1HG GLN 35 2HG GLN 35 -1.705 3.573 11.315 271 2HG GLN 35 1HG GLN 35 -0.107 3.552 10.572 272 1HE2 GLN 35 1HE2 GLN 35 -1.170 5.895 11.448 273 2HE2 GLN 35 2HE2 GLN 35 -1.578 6.900 10.103 274 H LEU 36 H LEU 36 -0.614 0.373 7.803 275 HA LEU 36 HA LEU 36 -2.871 -1.092 7.036 276 1HB LEU 36 2HB LEU 36 -0.925 -0.219 5.596 277 2HB LEU 36 1HB LEU 36 -0.091 -1.692 6.052 278 HG LEU 36 HG LEU 36 -1.402 -1.577 3.801 279 1HD1 LEU 36 2HD1 LEU 36 -1.247 -3.789 5.784 280 2HD1 LEU 36 1HD1 LEU 36 -2.160 -4.043 4.297 281 3HD1 LEU 36 3HD1 LEU 36 -0.451 -3.614 4.219 282 1HD2 LEU 36 3HD2 LEU 36 -3.602 -2.029 5.802 283 2HD2 LEU 36 2HD2 LEU 36 -3.514 -0.805 4.536 284 3HD2 LEU 36 1HD2 LEU 36 -3.726 -2.502 4.107 285 H GLU 37 H GLU 37 -0.235 -1.865 9.088 286 HA GLU 37 HA GLU 37 -0.373 -4.703 8.919 287 1HB GLU 37 2HB GLU 37 1.582 -3.430 9.804 288 2HB GLU 37 1HB GLU 37 0.619 -3.001 11.209 289 1HG GLU 37 2HG GLU 37 0.312 -5.589 11.406 290 2HG GLU 37 1HG GLU 37 1.788 -5.625 10.442 291 H ALA 38 H ALA 38 -1.374 -2.488 11.507 292 HA ALA 38 HA ALA 38 -2.864 -4.357 12.947 293 1HB ALA 38 2HB ALA 38 -2.054 -2.013 13.646 294 2HB ALA 38 3HB ALA 38 -3.602 -2.584 14.268 295 3HB ALA 38 1HB ALA 38 -3.560 -1.442 12.925 296 H ALA 39 H ALA 39 -3.488 -2.926 9.972 297 HA ALA 39 HA ALA 39 -6.393 -3.204 10.170 298 1HB ALA 39 2HB ALA 39 -4.719 -2.279 7.835 299 2HB ALA 39 3HB ALA 39 -5.419 -1.211 9.053 300 3HB ALA 39 1HB ALA 39 -6.471 -2.151 7.995 301 H ARG 40 H ARG 40 -3.573 -4.700 8.872 302 HA ARG 40 HA ARG 40 -4.829 -6.442 7.016 303 1HB ARG 40 2HB ARG 40 -2.501 -6.026 6.751 304 2HB ARG 40 1HB ARG 40 -2.172 -6.439 8.430 305 1HG ARG 40 2HG ARG 40 -3.388 -8.649 7.017 306 2HG ARG 40 1HG ARG 40 -1.915 -8.098 6.219 307 1HD ARG 40 2HD ARG 40 -2.177 -8.855 9.126 308 2HD ARG 40 1HD ARG 40 -1.443 -9.842 7.863 309 HE ARG 40 HE ARG 40 -0.142 -7.374 7.894 310 1HH1 ARG 40 2HH1 ARG 40 -0.552 -10.166 9.936 311 2HH1 ARG 40 1HH1 ARG 40 0.986 -9.986 10.712 312 1HH2 ARG 40 2HH2 ARG 40 1.886 -7.129 8.910 313 2HH2 ARG 40 1HH2 ARG 40 2.372 -8.259 10.129 314 H LYS 41 H LYS 41 -4.099 -6.526 10.423 315 HA LYS 41 HA LYS 41 -4.552 -9.288 10.817 316 1HB LYS 41 2HB LYS 41 -4.966 -7.189 12.929 317 2HB LYS 41 1HB LYS 41 -4.414 -8.846 13.131 318 1HG LYS 41 2HG LYS 41 -2.375 -8.128 11.752 319 2HG LYS 41 1HG LYS 41 -2.904 -6.478 12.093 320 1HD LYS 41 2HD LYS 41 -2.060 -6.566 14.149 321 2HD LYS 41 1HD LYS 41 -2.935 -8.060 14.497 322 1HE LYS 41 2HE LYS 41 -0.757 -8.623 12.731 323 2HE LYS 41 1HE LYS 41 -0.161 -7.714 14.120 324 1HZ LYS 41 1HZ LYS 41 -1.621 -9.426 15.417 325 2HZ LYS 41 3HZ LYS 41 -1.397 -10.371 14.031 326 3HZ LYS 41 2HZ LYS 41 -0.058 -9.835 14.915 327 H ILE 42 H ILE 42 -6.679 -6.713 10.204 328 HA ILE 42 HA ILE 42 -8.944 -8.001 11.522 329 HB ILE 42 HB ILE 42 -10.187 -6.049 11.077 330 1HG1 ILE 42 2HG1 ILE 42 -8.222 -4.595 9.462 331 2HG1 ILE 42 1HG1 ILE 42 -8.856 -6.027 8.663 332 1HG2 ILE 42 2HG2 ILE 42 -7.322 -5.399 11.714 333 2HG2 ILE 42 1HG2 ILE 42 -8.599 -4.182 11.763 334 3HG2 ILE 42 3HG2 ILE 42 -8.678 -5.587 12.826 335 1HD1 ILE 42 2HD1 ILE 42 -10.507 -3.786 9.804 336 2HD1 ILE 42 1HD1 ILE 42 -10.138 -4.037 8.098 337 3HD1 ILE 42 3HD1 ILE 42 -11.125 -5.211 8.968 338 H GLY 43 H GLY 43 -7.408 -7.881 8.483 339 1HA GLY 43 1HA GLY 43 -9.832 -8.827 7.104 340 2HA GLY 43 2HA GLY 43 -8.363 -9.794 7.063 341 H PHE 44 H PHE 44 -7.023 -6.934 7.099 342 HA PHE 44 HA PHE 44 -7.592 -5.971 4.448 343 1HB PHE 44 2HB PHE 44 -6.753 -4.703 6.605 344 2HB PHE 44 1HB PHE 44 -5.170 -5.155 5.990 345 HD1 PHE 44 HD1 PHE 44 -5.539 -4.867 3.093 346 HD2 PHE 44 HD2 PHE 44 -6.909 -2.429 6.297 347 HE1 PHE 44 HE1 PHE 44 -5.588 -2.917 1.587 348 HE2 PHE 44 HE2 PHE 44 -6.961 -0.480 4.799 349 HZ PHE 44 HZ PHE 44 -6.301 -0.725 2.441 350 H HIS 45 H HIS 45 -7.022 -7.383 2.868 351 HA HIS 45 HA HIS 45 -4.183 -8.154 2.743 352 1HB HIS 45 2HB HIS 45 -5.617 -10.087 3.380 353 2HB HIS 45 1HB HIS 45 -6.508 -9.883 1.878 354 HD1 HIS 45 HD1 HIS 45 -4.545 -12.310 2.942 355 HD2 HIS 45 HD2 HIS 45 -3.907 -9.595 -0.139 356 HE1 HIS 45 HE1 HIS 45 -2.883 -13.410 1.408 357 HE2 HIS 45 HE2 HIS 45 -2.579 -11.786 -0.492 358 H VAL 46 H VAL 46 -3.182 -7.689 0.883 359 HA VAL 46 HA VAL 46 -4.670 -7.445 -1.594 360 HB VAL 46 HB VAL 46 -2.957 -5.115 -1.337 361 1HG1 VAL 46 2HG1 VAL 46 -5.544 -5.899 -2.437 362 2HG1 VAL 46 1HG1 VAL 46 -5.503 -4.245 -1.825 363 3HG1 VAL 46 3HG1 VAL 46 -4.346 -4.760 -3.052 364 1HG2 VAL 46 1HG2 VAL 46 -5.221 -5.422 0.621 365 2HG2 VAL 46 3HG2 VAL 46 -3.541 -5.001 0.956 366 3HG2 VAL 46 2HG2 VAL 46 -4.587 -3.853 0.118 367 H CYS 47 H CYS 47 -3.447 -9.010 -2.555 368 HA CYS 47 HA CYS 47 -0.650 -9.265 -2.302 369 1HB CYS 47 2HB CYS 47 -2.611 -10.833 -3.337 370 2HB CYS 47 1HB CYS 47 -1.861 -10.236 -4.814 371 H ALA 48 H ALA 48 0.077 -7.088 -2.612 372 HA ALA 48 HA ALA 48 1.245 -6.577 -5.067 373 1HB ALA 48 2HB ALA 48 -1.082 -6.237 -5.848 374 2HB ALA 48 3HB ALA 48 -0.072 -4.801 -6.026 375 3HB ALA 48 1HB ALA 48 -1.237 -4.903 -4.705 376 H ALA 49 H ALA 49 2.757 -4.997 -4.857 377 HA ALA 49 HA ALA 49 3.429 -4.005 -2.355 378 1HB ALA 49 2HB ALA 49 5.282 -3.608 -3.514 379 2HB ALA 49 1HB ALA 49 4.410 -3.748 -5.041 380 3HB ALA 49 3HB ALA 49 4.492 -2.193 -4.212 381 H GLY 50 H GLY 50 2.067 -2.793 -1.168 382 1HA GLY 50 2HA GLY 50 0.214 -1.287 -0.951 383 2HA GLY 50 1HA GLY 50 0.663 -0.572 -2.490 384 H TRP 51 H TRP 51 1.558 1.361 -2.367 385 HA TRP 51 HA TRP 51 3.735 2.115 -0.892 386 1HB TRP 51 2HB TRP 51 1.453 3.686 -2.044 387 2HB TRP 51 1HB TRP 51 2.714 4.500 -1.119 388 HD1 TRP 51 HD1 TRP 51 1.953 3.207 -4.528 389 HE1 TRP 51 HE1 TRP 51 4.030 3.441 -6.041 390 HE3 TRP 51 HE3 TRP 51 5.436 4.329 -0.960 391 HZ2 TRP 51 HZ2 TRP 51 6.779 4.032 -5.752 392 HZ3 TRP 51 HZ3 TRP 51 7.763 4.716 -1.655 393 HH2 TRP 51 HH2 TRP 51 8.419 4.569 -4.004 394 H MET 52 H MET 52 4.012 3.479 0.946 395 HA MET 52 HA MET 52 1.938 4.082 2.766 396 1HB MET 52 2HB MET 52 3.173 2.405 4.512 397 2HB MET 52 1HB MET 52 1.679 2.029 3.667 398 1HG MET 52 2HG MET 52 2.823 0.747 2.035 399 2HG MET 52 1HG MET 52 4.393 1.314 2.598 400 1HE MET 52 3HE MET 52 1.741 -0.981 2.543 401 2HE MET 52 2HE MET 52 2.328 -2.364 3.468 402 3HE MET 52 1HE MET 52 1.272 -1.175 4.232 403 H ALA 53 H ALA 53 3.056 4.434 5.083 404 HA ALA 53 HA ALA 53 4.421 5.867 6.220 405 1HB ALA 53 2HB ALA 53 6.526 5.064 6.467 406 2HB ALA 53 3HB ALA 53 6.794 4.914 4.730 407 3HB ALA 53 1HB ALA 53 5.829 3.707 5.580 408 H LYS 54 H LYS 54 6.780 7.128 5.595 409 HA LYS 54 HA LYS 54 5.858 9.366 4.120 410 1HB LYS 54 2HB LYS 54 8.028 8.751 5.841 411 2HB LYS 54 1HB LYS 54 8.706 9.400 4.356 412 1HG LYS 54 2HG LYS 54 6.826 11.223 4.718 413 2HG LYS 54 1HG LYS 54 7.000 10.710 6.396 414 1HD LYS 54 2HD LYS 54 8.797 12.004 6.575 415 2HD LYS 54 1HD LYS 54 9.606 11.010 5.361 416 1HE LYS 54 2HE LYS 54 7.784 12.768 4.050 417 2HE LYS 54 1HE LYS 54 8.783 13.709 5.158 418 1HZ LYS 54 3HZ LYS 54 10.721 12.459 4.114 419 2HZ LYS 54 2HZ LYS 54 9.642 12.034 2.882 420 3HZ LYS 54 1HZ LYS 54 9.982 13.664 3.183 421 H GLY 55 H GLY 55 6.785 6.452 2.962 422 1HA GLY 55 1HA GLY 55 8.407 7.381 0.741 423 2HA GLY 55 2HA GLY 55 6.759 6.926 0.323 424 H ARG 56 H ARG 56 7.100 4.945 2.716 425 HA ARG 56 HA ARG 56 8.846 2.980 1.451 426 1HB ARG 56 2HB ARG 56 7.697 3.371 4.149 427 2HB ARG 56 1HB ARG 56 7.886 1.702 3.629 428 1HG ARG 56 2HG ARG 56 10.040 1.773 4.116 429 2HG ARG 56 1HG ARG 56 10.267 3.117 2.995 430 1HD ARG 56 2HD ARG 56 10.903 4.199 4.872 431 2HD ARG 56 1HD ARG 56 9.165 4.435 5.052 432 HE ARG 56 HE ARG 56 9.209 2.451 6.537 433 1HH1 ARG 56 2HH1 ARG 56 12.132 4.260 5.973 434 2HH1 ARG 56 1HH1 ARG 56 12.870 3.781 7.466 435 1HH2 ARG 56 1HH2 ARG 56 10.172 1.813 8.504 436 2HH2 ARG 56 2HH2 ARG 56 11.756 2.389 8.905 437 H VAL 57 H VAL 57 8.165 1.163 0.468 438 HA VAL 57 HA VAL 57 5.266 0.632 0.429 439 HB VAL 57 HB VAL 57 5.415 1.275 -1.735 440 1HG1 VAL 57 2HG1 VAL 57 8.334 0.760 -1.419 441 2HG1 VAL 57 1HG1 VAL 57 7.651 0.912 -3.038 442 3HG1 VAL 57 3HG1 VAL 57 7.494 2.240 -1.886 443 1HG2 VAL 57 2HG2 VAL 57 5.382 -1.398 -1.514 444 2HG2 VAL 57 1HG2 VAL 57 5.281 -0.555 -3.061 445 3HG2 VAL 57 3HG2 VAL 57 6.826 -1.203 -2.508 446 H GLY 58 H GLY 58 4.647 -1.431 0.793 447 1HA GLY 58 2HA GLY 58 5.893 -3.303 2.142 448 2HA GLY 58 1HA GLY 58 6.636 -3.573 0.572 449 H TYR 59 H TYR 59 5.409 -5.680 1.548 450 HA TYR 59 HA TYR 59 2.724 -5.735 0.350 451 1HB TYR 59 2HB TYR 59 4.136 -8.255 0.028 452 2HB TYR 59 1HB TYR 59 3.282 -7.287 -1.173 453 HD1 TYR 59 HD1 TYR 59 4.586 -5.124 -1.969 454 HD2 TYR 59 HD2 TYR 59 6.418 -8.538 -0.208 455 HE1 TYR 59 HE1 TYR 59 6.731 -4.495 -2.993 456 HE2 TYR 59 HE2 TYR 59 8.567 -7.916 -1.227 457 HH TYR 59 HH TYR 59 9.151 -6.380 -3.503 458 HA PRO 60 HA PRO 60 2.154 -7.324 4.564 459 1HB PRO 60 2HB PRO 60 -0.594 -7.305 4.345 460 2HB PRO 60 1HB PRO 60 0.379 -5.931 4.873 461 1HG PRO 60 2HG PRO 60 -0.808 -6.501 2.196 462 2HG PRO 60 1HG PRO 60 -0.661 -4.958 3.054 463 1HD PRO 60 2HD PRO 60 0.985 -5.641 1.030 464 2HD PRO 60 1HD PRO 60 1.534 -4.662 2.404 465 H ILE 61 H ILE 61 -0.725 -8.393 2.937 466 HA ILE 61 HA ILE 61 -1.467 -10.433 2.232 467 HB ILE 61 HB ILE 61 1.358 -11.461 2.487 468 1HG1 ILE 61 2HG1 ILE 61 1.407 -9.492 1.065 469 2HG1 ILE 61 1HG1 ILE 61 1.580 -10.936 0.072 470 1HG2 ILE 61 1HG2 ILE 61 -0.614 -13.045 2.222 471 2HG2 ILE 61 3HG2 ILE 61 -0.792 -12.374 0.602 472 3HG2 ILE 61 2HG2 ILE 61 0.698 -13.201 1.055 473 1HD1 ILE 61 2HD1 ILE 61 -1.110 -10.564 0.028 474 2HD1 ILE 61 1HD1 ILE 61 -0.515 -8.905 0.088 475 3HD1 ILE 61 3HD1 ILE 61 0.017 -9.986 -1.199 476 H VAL 62 H VAL 62 -2.732 -11.137 3.840 477 HA VAL 62 HA VAL 62 -1.642 -11.949 6.381 478 HB VAL 62 HB VAL 62 -4.442 -12.651 5.845 479 1HG1 VAL 62 2HG1 VAL 62 -2.797 -11.986 8.025 480 2HG1 VAL 62 1HG1 VAL 62 -4.022 -10.721 7.918 481 3HG1 VAL 62 3HG1 VAL 62 -4.509 -12.411 8.050 482 1HG2 VAL 62 3HG2 VAL 62 -3.544 -10.249 4.727 483 2HG2 VAL 62 2HG2 VAL 62 -5.214 -10.743 5.008 484 3HG2 VAL 62 1HG2 VAL 62 -4.355 -9.802 6.228 485 H LYS 63 H LYS 63 -2.772 -13.479 3.461 486 HA LYS 63 HA LYS 63 -2.291 -16.116 4.685 487 1HB LYS 63 2HB LYS 63 -4.405 -15.133 2.884 488 2HB LYS 63 1HB LYS 63 -3.719 -16.688 2.441 489 1HG LYS 63 2HG LYS 63 -4.128 -17.045 5.095 490 2HG LYS 63 1HG LYS 63 -5.460 -15.965 4.683 491 1HD LYS 63 2HD LYS 63 -6.456 -17.493 3.303 492 2HD LYS 63 1HD LYS 63 -4.930 -18.273 2.888 493 1HE LYS 63 2HE LYS 63 -5.991 -19.862 4.203 494 2HE LYS 63 1HE LYS 63 -4.913 -19.056 5.340 495 1HZ LYS 63 1HZ LYS 63 -7.701 -18.151 5.026 496 2HZ LYS 63 3HZ LYS 63 -7.335 -19.472 6.019 497 3HZ LYS 63 2HZ LYS 63 -6.661 -17.956 6.346 498 HA PRO 64 HA PRO 64 1.170 -15.463 1.690 499 1HB PRO 64 2HB PRO 64 2.246 -17.648 3.381 500 2HB PRO 64 1HB PRO 64 3.007 -16.138 2.875 501 1HG PRO 64 2HG PRO 64 2.149 -16.491 5.383 502 2HG PRO 64 1HG PRO 64 2.028 -14.920 4.574 503 1HD PRO 64 2HD PRO 64 -0.097 -16.943 5.118 504 2HD PRO 64 1HD PRO 64 -0.192 -15.170 5.133 505 H GLY 65 H GLY 65 1.966 -16.829 0.049 506 1HA GLY 65 2HA GLY 65 0.379 -18.464 -1.311 507 2HA GLY 65 1HA GLY 65 0.970 -19.569 -0.078 508 HA PRO 66 HA PRO 66 4.157 -20.129 -3.182 509 1HB PRO 66 2HB PRO 66 3.291 -20.033 -5.730 510 2HB PRO 66 1HB PRO 66 2.814 -21.321 -4.620 511 1HG PRO 66 2HG PRO 66 1.280 -18.930 -5.512 512 2HG PRO 66 1HG PRO 66 0.707 -20.568 -5.187 513 1HD PRO 66 2HD PRO 66 0.479 -18.407 -3.470 514 2HD PRO 66 1HD PRO 66 0.379 -20.109 -3.004 515 H ASN 67 H ASN 67 2.545 -17.866 -5.387 516 HA ASN 67 HA ASN 67 4.985 -16.232 -5.371 517 1HB ASN 67 2HB ASN 67 3.617 -15.273 -7.484 518 2HB ASN 67 1HB ASN 67 4.710 -16.649 -7.592 519 1HD2 ASN 67 2HD2 ASN 67 3.763 -18.787 -7.401 520 2HD2 ASN 67 1HD2 ASN 67 2.157 -19.049 -7.982 521 H CYS 68 H CYS 68 1.823 -16.268 -4.231 522 HA CYS 68 HA CYS 68 1.402 -13.404 -4.349 523 1HB CYS 68 2HB CYS 68 -0.298 -15.566 -4.189 524 2HB CYS 68 1HB CYS 68 -0.328 -14.936 -2.546 525 H GLY 69 H GLY 69 3.776 -14.001 -3.056 526 1HA GLY 69 1HA GLY 69 3.219 -13.764 -0.187 527 2HA GLY 69 2HA GLY 69 4.064 -12.437 -0.974 528 H PHE 70 H PHE 70 4.798 -15.383 -2.416 529 HA PHE 70 HA PHE 70 6.654 -16.692 -2.463 530 1HB PHE 70 2HB PHE 70 7.605 -14.195 -2.394 531 2HB PHE 70 1HB PHE 70 8.257 -14.766 -0.862 532 HD1 PHE 70 HD1 PHE 70 7.971 -15.920 -4.399 533 HD2 PHE 70 HD2 PHE 70 10.360 -15.666 -0.887 534 HE1 PHE 70 HE1 PHE 70 9.837 -16.988 -5.596 535 HE2 PHE 70 HE2 PHE 70 12.231 -16.734 -2.077 536 HZ PHE 70 HZ PHE 70 11.971 -17.395 -4.434 537 H GLY 71 H GLY 71 4.793 -16.826 -0.189 538 1HA GLY 71 1HA GLY 71 6.258 -18.668 1.410 539 2HA GLY 71 2HA GLY 71 4.611 -18.120 1.706 540 H LYS 72 H LYS 72 5.895 -15.281 1.560 541 HA LYS 72 HA LYS 72 7.417 -15.191 4.015 542 1HB LYS 72 2HB LYS 72 6.568 -13.183 1.964 543 2HB LYS 72 1HB LYS 72 7.103 -12.625 3.545 544 1HG LYS 72 2HG LYS 72 9.247 -13.653 3.250 545 2HG LYS 72 1HG LYS 72 8.720 -14.423 1.752 546 1HD LYS 72 2HD LYS 72 8.907 -12.510 0.540 547 2HD LYS 72 1HD LYS 72 8.471 -11.477 1.903 548 1HE LYS 72 2HE LYS 72 10.648 -10.946 1.937 549 2HE LYS 72 1HE LYS 72 10.851 -12.507 2.733 550 1HZ LYS 72 1HZ LYS 72 11.040 -12.075 -0.198 551 2HZ LYS 72 3HZ LYS 72 12.368 -12.182 0.845 552 3HZ LYS 72 2HZ LYS 72 11.352 -13.517 0.629 553 H THR 73 H THR 73 6.807 -13.834 5.834 554 HA THR 73 HA THR 73 3.888 -13.696 6.210 555 HB THR 73 HB THR 73 4.840 -13.876 8.756 556 HG1 THR 73 HG1 THR 73 6.399 -15.522 8.764 557 1HG2 THR 73 1HG2 THR 73 2.984 -15.140 7.499 558 2HG2 THR 73 3HG2 THR 73 4.224 -16.350 7.171 559 3HG2 THR 73 2HG2 THR 73 3.786 -15.965 8.836 560 H GLY 74 H GLY 74 3.065 -11.806 6.880 561 1HA GLY 74 2HA GLY 74 4.742 -9.863 8.254 562 2HA GLY 74 1HA GLY 74 3.009 -9.738 7.979 563 H ILE 75 H ILE 75 3.882 -7.464 7.493 564 HA ILE 75 HA ILE 75 3.712 -7.059 4.696 565 HB ILE 75 HB ILE 75 4.596 -5.072 6.791 566 1HG1 ILE 75 1HG1 ILE 75 1.943 -6.157 6.015 567 2HG1 ILE 75 2HG1 ILE 75 2.496 -5.542 7.569 568 1HG2 ILE 75 1HG2 ILE 75 4.808 -4.785 4.127 569 2HG2 ILE 75 3HG2 ILE 75 3.155 -4.218 4.366 570 3HG2 ILE 75 2HG2 ILE 75 4.485 -3.448 5.230 571 1HD1 ILE 75 2HD1 ILE 75 2.340 -3.244 6.633 572 2HD1 ILE 75 1HD1 ILE 75 1.606 -3.942 5.189 573 3HD1 ILE 75 3HD1 ILE 75 0.800 -4.094 6.749 574 H ILE 76 H ILE 76 5.298 -7.751 3.420 575 HA ILE 76 HA ILE 76 8.068 -7.635 4.197 576 HB ILE 76 HB ILE 76 6.932 -8.310 1.483 577 1HG1 ILE 76 2HG1 ILE 76 5.901 -9.869 2.904 578 2HG1 ILE 76 1HG1 ILE 76 7.343 -10.708 2.340 579 1HG2 ILE 76 1HG2 ILE 76 9.528 -7.862 2.207 580 2HG2 ILE 76 3HG2 ILE 76 9.385 -9.611 2.385 581 3HG2 ILE 76 2HG2 ILE 76 9.006 -8.847 0.841 582 1HD1 ILE 76 3HD1 ILE 76 8.459 -9.950 4.470 583 2HD1 ILE 76 2HD1 ILE 76 6.857 -9.455 5.019 584 3HD1 ILE 76 1HD1 ILE 76 7.175 -11.147 4.641 585 H ASP 77 H ASP 77 8.380 -5.382 4.484 586 HA ASP 77 HA ASP 77 8.349 -3.787 2.013 587 1HB ASP 77 2HB ASP 77 7.114 -2.553 3.532 588 2HB ASP 77 1HB ASP 77 8.067 -3.095 4.908 589 H TYR 78 H TYR 78 10.200 -3.067 1.146 590 HA TYR 78 HA TYR 78 12.696 -3.811 2.482 591 1HB TYR 78 2HB TYR 78 12.144 -2.998 -0.379 592 2HB TYR 78 1HB TYR 78 13.730 -3.425 0.253 593 HD1 TYR 78 HD1 TYR 78 10.284 -4.891 0.316 594 HD2 TYR 78 HD2 TYR 78 14.445 -5.542 -0.286 595 HE1 TYR 78 HE1 TYR 78 9.836 -7.258 -0.177 596 HE2 TYR 78 HE2 TYR 78 14.009 -7.912 -0.781 597 HH TYR 78 HH TYR 78 10.960 -9.119 -1.451 598 H GLY 79 H GLY 79 10.785 -1.224 2.520 599 1HA GLY 79 2HA GLY 79 12.958 0.559 3.199 600 2HA GLY 79 1HA GLY 79 11.235 0.903 3.341 601 H ILE 80 H ILE 80 12.255 3.007 2.472 602 HA ILE 80 HA ILE 80 11.350 3.418 -0.140 603 HB ILE 80 HB ILE 80 13.378 5.130 1.293 604 1HG1 ILE 80 1HG1 ILE 80 10.420 5.606 1.399 605 2HG1 ILE 80 2HG1 ILE 80 11.157 4.470 2.523 606 1HG2 ILE 80 2HG2 ILE 80 13.058 5.676 -1.060 607 2HG2 ILE 80 1HG2 ILE 80 11.317 5.792 -0.806 608 3HG2 ILE 80 3HG2 ILE 80 12.401 6.943 -0.025 609 1HD1 ILE 80 2HD1 ILE 80 12.167 7.274 2.222 610 2HD1 ILE 80 1HD1 ILE 80 10.840 6.861 3.308 611 3HD1 ILE 80 3HD1 ILE 80 12.431 6.140 3.546 612 H ARG 81 H ARG 81 12.195 2.689 -1.970 613 HA ARG 81 HA ARG 81 15.006 1.976 -2.116 614 1HB ARG 81 2HB ARG 81 13.017 1.769 -4.365 615 2HB ARG 81 1HB ARG 81 14.481 0.827 -4.110 616 1HG ARG 81 2HG ARG 81 12.651 0.517 -1.903 617 2HG ARG 81 1HG ARG 81 11.883 0.110 -3.439 618 1HD ARG 81 2HD ARG 81 14.420 -1.045 -2.296 619 2HD ARG 81 1HD ARG 81 12.885 -1.875 -2.550 620 HE ARG 81 HE ARG 81 14.900 -1.285 -4.537 621 1HH1 ARG 81 2HH1 ARG 81 11.590 -2.178 -3.924 622 2HH1 ARG 81 1HH1 ARG 81 11.352 -2.876 -5.490 623 1HH2 ARG 81 1HH2 ARG 81 14.597 -2.202 -6.604 624 2HH2 ARG 81 2HH2 ARG 81 13.062 -2.890 -7.015 625 H LEU 82 H LEU 82 13.968 4.821 -2.037 626 HA LEU 82 HA LEU 82 14.414 6.837 -2.996 627 1HB LEU 82 2HB LEU 82 16.742 5.416 -2.903 628 2HB LEU 82 1HB LEU 82 16.671 5.854 -4.597 629 HG LEU 82 HG LEU 82 17.985 7.472 -3.345 630 1HD1 LEU 82 3HD1 LEU 82 15.385 8.320 -4.535 631 2HD1 LEU 82 2HD1 LEU 82 16.440 9.526 -3.800 632 3HD1 LEU 82 1HD1 LEU 82 17.027 8.541 -5.140 633 1HD2 LEU 82 1HD2 LEU 82 15.708 7.311 -1.511 634 2HD2 LEU 82 3HD2 LEU 82 17.394 7.728 -1.200 635 3HD2 LEU 82 2HD2 LEU 82 16.283 8.950 -1.820 636 H ASN 83 H ASN 83 12.558 5.199 -4.384 637 HA ASN 83 HA ASN 83 12.760 6.423 -7.018 638 1HB ASN 83 2HB ASN 83 13.595 3.850 -6.796 639 2HB ASN 83 1HB ASN 83 11.880 3.602 -7.110 640 1HD2 ASN 83 1HD2 ASN 83 14.057 6.128 -8.277 641 2HD2 ASN 83 2HD2 ASN 83 13.867 5.763 -9.955 642 H ARG 84 H ARG 84 11.085 7.603 -5.646 643 HA ARG 84 HA ARG 84 8.603 6.391 -5.060 644 1HB ARG 84 2HB ARG 84 9.593 9.197 -5.303 645 2HB ARG 84 1HB ARG 84 7.856 8.924 -5.268 646 1HG ARG 84 2HG ARG 84 8.146 9.125 -3.051 647 2HG ARG 84 1HG ARG 84 8.598 7.424 -3.168 648 1HD ARG 84 2HD ARG 84 10.796 7.840 -2.802 649 2HD ARG 84 1HD ARG 84 10.750 9.394 -3.633 650 HE ARG 84 HE ARG 84 9.788 8.958 -0.880 651 1HH1 ARG 84 1HH1 ARG 84 11.219 10.955 -3.350 652 2HH1 ARG 84 2HH1 ARG 84 11.475 12.303 -2.293 653 1HH2 ARG 84 1HH2 ARG 84 10.124 10.728 0.520 654 2HH2 ARG 84 2HH2 ARG 84 10.854 12.174 -0.094 655 H SER 85 H SER 85 10.013 6.933 -7.995 656 HA SER 85 HA SER 85 7.558 7.589 -9.418 657 1HB SER 85 2HB SER 85 9.881 8.528 -9.998 658 2HB SER 85 1HB SER 85 10.212 6.941 -10.691 659 HG SER 85 HG SER 85 8.998 8.933 -11.855 660 H GLU 86 H GLU 86 8.386 4.926 -8.005 661 HA GLU 86 HA GLU 86 8.465 2.961 -10.050 662 1HB GLU 86 2HB GLU 86 7.998 2.941 -7.098 663 2HB GLU 86 1HB GLU 86 7.608 1.500 -8.026 664 1HG GLU 86 2HG GLU 86 10.245 2.632 -8.600 665 2HG GLU 86 1HG GLU 86 10.035 2.056 -6.948 666 H ARG 87 H ARG 87 6.607 1.104 -9.657 667 HA ARG 87 HA ARG 87 3.999 2.428 -9.870 668 1HB ARG 87 2HB ARG 87 4.737 0.215 -11.757 669 2HB ARG 87 1HB ARG 87 3.419 1.371 -11.873 670 1HG ARG 87 2HG ARG 87 4.729 2.991 -12.776 671 2HG ARG 87 1HG ARG 87 6.178 2.445 -11.930 672 1HD ARG 87 2HD ARG 87 6.122 0.413 -13.450 673 2HD ARG 87 1HD ARG 87 4.912 1.279 -14.396 674 HE ARG 87 HE ARG 87 7.401 2.691 -13.905 675 1HH1 ARG 87 2HH1 ARG 87 5.518 0.710 -16.063 676 2HH1 ARG 87 1HH1 ARG 87 6.429 1.148 -17.469 677 1HH2 ARG 87 2HH2 ARG 87 8.608 3.275 -15.750 678 2HH2 ARG 87 1HH2 ARG 87 8.187 2.608 -17.291 679 H TRP 88 H TRP 88 2.742 1.593 -8.392 680 HA TRP 88 HA TRP 88 2.454 -1.282 -8.135 681 1HB TRP 88 2HB TRP 88 2.962 0.303 -5.624 682 2HB TRP 88 1HB TRP 88 2.941 -1.445 -5.829 683 HD1 TRP 88 HD1 TRP 88 5.253 1.472 -5.768 684 HE1 TRP 88 HE1 TRP 88 7.649 0.709 -6.325 685 HE3 TRP 88 HE3 TRP 88 4.234 -3.251 -7.436 686 HZ2 TRP 88 HZ2 TRP 88 8.934 -1.592 -7.336 687 HZ3 TRP 88 HZ3 TRP 88 6.102 -4.669 -8.178 688 HH2 TRP 88 HH2 TRP 88 8.403 -3.856 -8.129 689 H ASP 89 H ASP 89 1.278 -0.359 -5.352 690 HA ASP 89 HA ASP 89 -1.264 0.644 -6.452 691 1HB ASP 89 2HB ASP 89 -1.680 -0.748 -3.979 692 2HB ASP 89 1HB ASP 89 -2.346 -1.106 -5.571 693 H ALA 90 H ALA 90 -2.635 1.222 -4.221 694 HA ALA 90 HA ALA 90 -0.933 2.846 -2.493 695 1HB ALA 90 2HB ALA 90 -1.573 4.265 -4.431 696 2HB ALA 90 1HB ALA 90 -3.263 4.053 -3.976 697 3HB ALA 90 3HB ALA 90 -2.152 4.876 -2.881 698 H TYR 91 H TYR 91 -1.681 2.967 -0.435 699 HA TYR 91 HA TYR 91 -4.225 1.637 0.132 700 1HB TYR 91 2HB TYR 91 -1.771 2.234 1.765 701 2HB TYR 91 1HB TYR 91 -3.288 1.810 2.540 702 HD1 TYR 91 HD1 TYR 91 -4.426 -0.398 1.586 703 HD2 TYR 91 HD2 TYR 91 -0.286 0.542 1.280 704 HE1 TYR 91 HE1 TYR 91 -3.911 -2.782 1.266 705 HE2 TYR 91 HE2 TYR 91 0.238 -1.839 0.966 706 HH TYR 91 HH TYR 91 -1.969 -4.113 0.141 707 H CYS 92 H CYS 92 -5.894 3.029 0.132 708 HA CYS 92 HA CYS 92 -5.511 5.770 0.996 709 1HB CYS 92 2HB CYS 92 -7.685 4.255 -0.376 710 2HB CYS 92 1HB CYS 92 -8.106 5.737 0.474 711 H TYR 93 H TYR 93 -6.255 6.670 2.836 712 HA TYR 93 HA TYR 93 -7.928 5.085 4.638 713 1HB TYR 93 2HB TYR 93 -5.636 4.619 5.305 714 2HB TYR 93 1HB TYR 93 -5.278 6.332 5.371 715 HD1 TYR 93 HD1 TYR 93 -7.077 7.659 6.955 716 HD2 TYR 93 HD2 TYR 93 -5.908 3.586 7.333 717 HE1 TYR 93 HE1 TYR 93 -7.725 7.700 9.327 718 HE2 TYR 93 HE2 TYR 93 -6.552 3.617 9.706 719 HH TYR 93 HH TYR 93 -6.763 5.840 11.529 720 H ASN 94 H ASN 94 -9.391 6.279 5.743 721 HA ASN 94 HA ASN 94 -9.058 9.200 5.778 722 1HB ASN 94 2HB ASN 94 -11.449 7.628 4.837 723 2HB ASN 94 1HB ASN 94 -11.607 9.286 5.412 724 1HD2 ASN 94 2HD2 ASN 94 -12.291 9.995 3.397 725 2HD2 ASN 94 1HD2 ASN 94 -11.203 10.169 2.066 726 HA PRO 95 HA PRO 95 -10.030 9.266 10.066 727 1HB PRO 95 2HB PRO 95 -12.261 11.113 9.324 728 2HB PRO 95 1HB PRO 95 -11.020 11.295 10.570 729 1HG PRO 95 2HG PRO 95 -10.842 12.624 8.266 730 2HG PRO 95 1HG PRO 95 -9.399 11.949 9.044 731 1HD PRO 95 2HD PRO 95 -10.873 11.005 6.639 732 2HD PRO 95 1HD PRO 95 -9.146 10.885 7.027 733 H HIS 96 H HIS 96 -12.671 8.938 7.768 734 HA HIS 96 HA HIS 96 -14.045 7.154 9.666 735 1HB HIS 96 2HB HIS 96 -15.104 9.292 7.874 736 2HB HIS 96 1HB HIS 96 -16.087 7.849 8.102 737 HD1 HIS 96 HD1 HIS 96 -17.400 7.680 10.235 738 HD2 HIS 96 HD2 HIS 96 -14.594 10.744 10.323 739 HE1 HIS 96 HE1 HIS 96 -17.875 8.967 12.343 740 HE2 HIS 96 HE2 HIS 96 -16.111 10.764 12.418 741 H ALA 97 H ALA 97 -13.014 7.770 6.391 742 HA ALA 97 HA ALA 97 -13.235 6.508 4.457 743 1HB ALA 97 1HB ALA 97 -11.170 5.705 4.993 744 2HB ALA 97 2HB ALA 97 -12.077 4.191 5.010 745 3HB ALA 97 3HB ALA 97 -11.713 5.018 6.524 746 H LYS 98 H LYS 98 -15.704 6.508 5.000 747 HA LYS 98 HA LYS 98 -16.613 3.728 5.326 748 1HB LYS 98 2HB LYS 98 -17.459 5.514 6.927 749 2HB LYS 98 1HB LYS 98 -18.323 6.202 5.558 750 1HG LYS 98 2HG LYS 98 -19.626 4.201 5.303 751 2HG LYS 98 1HG LYS 98 -18.678 3.380 6.545 752 1HD LYS 98 2HD LYS 98 -19.588 4.671 8.264 753 2HD LYS 98 1HD LYS 98 -20.150 5.920 7.152 754 1HE LYS 98 2HE LYS 98 -22.097 4.785 7.754 755 2HE LYS 98 1HE LYS 98 -21.674 4.105 6.182 756 1HZ LYS 98 2HZ LYS 98 -20.371 2.486 7.910 757 2HZ LYS 98 1HZ LYS 98 -21.793 2.830 8.758 758 3HZ LYS 98 3HZ LYS 98 -21.874 2.151 7.210 No H/Q in entry = 758 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -9.526 3.138 8.949 2 H2 GLY 1 3H GLY 1 -9.936 4.776 8.844 3 H3 GLY 1 2H GLY 1 -11.034 3.669 9.499 4 1HA GLY 1 1HA GLY 1 -11.475 4.428 7.143 5 2HA GLY 1 2HA GLY 1 -11.512 2.701 7.452 6 H VAL 2 H VAL 2 -8.968 1.934 7.469 7 HA VAL 2 HA VAL 2 -7.598 3.029 5.144 8 HB VAL 2 HB VAL 2 -6.094 2.555 6.881 9 1HG1 VAL 2 2HG1 VAL 2 -7.960 0.542 7.572 10 2HG1 VAL 2 1HG1 VAL 2 -6.380 -0.222 7.391 11 3HG1 VAL 2 3HG1 VAL 2 -6.583 1.131 8.505 12 1HG2 VAL 2 3HG2 VAL 2 -6.087 0.544 4.692 13 2HG2 VAL 2 2HG2 VAL 2 -4.948 1.845 5.038 14 3HG2 VAL 2 1HG2 VAL 2 -4.922 0.371 6.004 15 H TYR 3 H TYR 3 -7.345 2.011 3.212 16 HA TYR 3 HA TYR 3 -8.093 -0.761 2.899 17 1HB TYR 3 2HB TYR 3 -9.771 -0.278 1.098 18 2HB TYR 3 1HB TYR 3 -10.293 0.138 2.724 19 HD1 TYR 3 HD1 TYR 3 -10.299 2.548 3.428 20 HD2 TYR 3 HD2 TYR 3 -9.632 1.357 -0.602 21 HE1 TYR 3 HE1 TYR 3 -10.828 4.827 2.671 22 HE2 TYR 3 HE2 TYR 3 -10.158 3.632 -1.368 23 HH TYR 3 HH TYR 3 -10.365 6.279 0.735 24 H HIS 4 H HIS 4 -7.967 -1.424 0.540 25 HA HIS 4 HA HIS 4 -5.492 -0.328 -0.536 26 1HB HIS 4 2HB HIS 4 -5.972 -2.829 -0.202 27 2HB HIS 4 1HB HIS 4 -7.008 -2.698 -1.618 28 HD1 HIS 4 HD1 HIS 4 -3.747 -3.701 -0.785 29 HD2 HIS 4 HD2 HIS 4 -5.339 -1.419 -3.854 30 HE1 HIS 4 HE1 HIS 4 -2.028 -3.751 -2.618 31 HE2 HIS 4 HE2 HIS 4 -3.067 -2.457 -4.511 32 H ARG 5 H ARG 5 -5.242 0.221 -2.756 33 HA ARG 5 HA ARG 5 -7.587 0.569 -4.408 34 1HB ARG 5 2HB ARG 5 -6.338 2.800 -2.927 35 2HB ARG 5 1HB ARG 5 -6.674 3.107 -4.624 36 1HG ARG 5 2HG ARG 5 -8.848 1.905 -3.015 37 2HG ARG 5 1HG ARG 5 -8.438 3.592 -2.698 38 1HD ARG 5 2HD ARG 5 -8.506 3.652 -5.375 39 2HD ARG 5 1HD ARG 5 -9.654 2.345 -5.088 40 HE ARG 5 HE ARG 5 -9.933 5.077 -4.017 41 1HH1 ARG 5 2HH1 ARG 5 -11.287 2.066 -5.123 42 2HH1 ARG 5 1HH1 ARG 5 -12.929 2.600 -4.973 43 1HH2 ARG 5 2HH2 ARG 5 -12.089 5.790 -3.815 44 2HH2 ARG 5 1HH2 ARG 5 -13.384 4.717 -4.230 45 H GLU 6 H GLU 6 -7.095 0.960 -6.586 46 HA GLU 6 HA GLU 6 -4.236 0.701 -7.254 47 1HB GLU 6 2HB GLU 6 -4.813 -0.571 -9.173 48 2HB GLU 6 1HB GLU 6 -5.733 -1.246 -7.837 49 1HG GLU 6 2HG GLU 6 -6.812 0.690 -9.871 50 2HG GLU 6 1HG GLU 6 -7.040 -1.058 -9.908 51 H ALA 7 H ALA 7 -4.309 1.208 -9.925 52 HA ALA 7 HA ALA 7 -4.922 4.074 -9.954 53 1HB ALA 7 2HB ALA 7 -2.995 4.332 -11.028 54 2HB ALA 7 1HB ALA 7 -2.687 2.614 -10.773 55 3HB ALA 7 3HB ALA 7 -3.462 3.160 -12.261 56 H ARG 8 H ARG 8 -5.911 5.051 -11.790 57 HA ARG 8 HA ARG 8 -8.185 3.711 -12.738 58 1HB ARG 8 2HB ARG 8 -6.830 6.177 -13.848 59 2HB ARG 8 1HB ARG 8 -8.458 5.648 -14.248 60 1HG ARG 8 2HG ARG 8 -8.086 5.877 -11.390 61 2HG ARG 8 1HG ARG 8 -7.725 7.388 -12.226 62 1HD ARG 8 2HD ARG 8 -10.010 6.615 -13.478 63 2HD ARG 8 1HD ARG 8 -10.284 6.001 -11.848 64 HE ARG 8 HE ARG 8 -9.793 8.340 -11.098 65 1HH1 ARG 8 1HH1 ARG 8 -10.994 7.679 -14.299 66 2HH1 ARG 8 2HH1 ARG 8 -11.727 9.237 -14.486 67 1HH2 ARG 8 1HH2 ARG 8 -10.754 10.395 -11.334 68 2HH2 ARG 8 2HH2 ARG 8 -11.590 10.781 -12.801 69 H SER 9 H SER 9 -4.945 3.686 -13.828 70 HA SER 9 HA SER 9 -5.665 2.748 -16.499 71 1HB SER 9 2HB SER 9 -3.184 3.767 -15.211 72 2HB SER 9 1HB SER 9 -2.987 2.595 -16.514 73 HG SER 9 HG SER 9 -4.585 4.923 -16.744 74 H GLY 10 H GLY 10 -4.622 1.559 -13.424 75 1HA GLY 10 2HA GLY 10 -3.932 -1.056 -14.558 76 2HA GLY 10 1HA GLY 10 -5.291 -0.967 -13.447 77 H LYS 11 H LYS 11 -3.885 -2.558 -12.304 78 HA LYS 11 HA LYS 11 -2.737 -1.401 -10.029 79 1HB LYS 11 2HB LYS 11 -3.677 -3.705 -10.163 80 2HB LYS 11 1HB LYS 11 -2.263 -4.192 -11.089 81 1HG LYS 11 2HG LYS 11 -0.820 -3.830 -9.241 82 2HG LYS 11 1HG LYS 11 -2.096 -3.025 -8.324 83 1HD LYS 11 2HD LYS 11 -2.645 -4.983 -7.433 84 2HD LYS 11 1HD LYS 11 -3.095 -5.558 -9.040 85 1HE LYS 11 2HE LYS 11 -0.531 -5.974 -9.293 86 2HE LYS 11 1HE LYS 11 -0.546 -5.941 -7.530 87 1HZ LYS 11 3HZ LYS 11 -2.379 -7.648 -7.699 88 2HZ LYS 11 2HZ LYS 11 -1.965 -7.813 -9.330 89 3HZ LYS 11 1HZ LYS 11 -0.830 -8.173 -8.130 90 H TYR 12 H TYR 12 -0.526 -1.596 -9.254 91 HA TYR 12 HA TYR 12 1.676 -1.053 -9.423 92 1HB TYR 12 2HB TYR 12 1.341 -3.088 -11.611 93 2HB TYR 12 1HB TYR 12 2.906 -2.348 -11.291 94 HD1 TYR 12 HD1 TYR 12 1.022 -2.603 -8.305 95 HD2 TYR 12 HD2 TYR 12 3.450 -4.874 -10.963 96 HE1 TYR 12 HE1 TYR 12 1.436 -4.240 -6.521 97 HE2 TYR 12 HE2 TYR 12 3.868 -6.518 -9.183 98 HH TYR 12 HH TYR 12 2.293 -6.249 -6.024 99 H LYS 13 H LYS 13 0.517 1.063 -10.164 100 HA LYS 13 HA LYS 13 2.091 2.098 -12.350 101 1HB LYS 13 2HB LYS 13 -0.885 1.783 -12.536 102 2HB LYS 13 1HB LYS 13 -0.099 3.144 -13.325 103 1HG LYS 13 2HG LYS 13 1.441 1.310 -14.346 104 2HG LYS 13 1HG LYS 13 0.110 0.231 -13.921 105 1HD LYS 13 2HD LYS 13 -1.269 2.207 -15.111 106 2HD LYS 13 1HD LYS 13 0.260 2.342 -15.982 107 1HE LYS 13 2HE LYS 13 0.140 -0.053 -16.527 108 2HE LYS 13 1HE LYS 13 -1.411 -0.152 -15.695 109 1HZ LYS 13 3HZ LYS 13 -1.318 1.924 -17.677 110 2HZ LYS 13 2HZ LYS 13 -1.071 0.383 -18.327 111 3HZ LYS 13 1HZ LYS 13 -2.472 0.709 -17.437 112 H LEU 14 H LEU 14 0.860 2.365 -9.373 113 HA LEU 14 HA LEU 14 0.582 5.292 -9.449 114 1HB LEU 14 2HB LEU 14 -0.440 3.151 -7.651 115 2HB LEU 14 1HB LEU 14 -0.134 4.730 -6.957 116 HG LEU 14 HG LEU 14 -1.821 4.497 -9.419 117 1HD1 LEU 14 2HD1 LEU 14 -2.462 2.968 -7.311 118 2HD1 LEU 14 1HD1 LEU 14 -3.202 4.490 -6.812 119 3HD1 LEU 14 3HD1 LEU 14 -3.659 3.748 -8.345 120 1HD2 LEU 14 1HD2 LEU 14 -1.261 6.487 -7.309 121 2HD2 LEU 14 3HD2 LEU 14 -1.601 6.713 -9.025 122 3HD2 LEU 14 2HD2 LEU 14 -2.921 6.405 -7.897 123 H THR 15 H THR 15 2.123 6.546 -8.660 124 HA THR 15 HA THR 15 4.352 5.295 -7.221 125 HB THR 15 HB THR 15 5.750 6.930 -8.027 126 HG1 THR 15 HG1 THR 15 4.109 8.897 -8.874 127 1HG2 THR 15 3HG2 THR 15 4.219 5.777 -9.896 128 2HG2 THR 15 2HG2 THR 15 3.810 7.465 -10.203 129 3HG2 THR 15 1HG2 THR 15 5.490 6.936 -10.287 130 H TYR 16 H TYR 16 5.155 6.207 -5.279 131 HA TYR 16 HA TYR 16 3.478 6.767 -3.273 132 1HB TYR 16 2HB TYR 16 5.860 6.535 -2.887 133 2HB TYR 16 1HB TYR 16 6.173 8.069 -3.692 134 HD1 TYR 16 HD1 TYR 16 4.485 6.571 -0.737 135 HD2 TYR 16 HD2 TYR 16 6.149 10.078 -2.490 136 HE1 TYR 16 HE1 TYR 16 4.262 7.746 1.412 137 HE2 TYR 16 HE2 TYR 16 5.932 11.260 -0.342 138 HH TYR 16 HH TYR 16 5.058 11.177 1.725 139 H ALA 17 H ALA 17 4.689 9.162 -5.568 140 HA ALA 17 HA ALA 17 3.445 11.390 -4.313 141 1HB ALA 17 2HB ALA 17 4.415 11.082 -7.152 142 2HB ALA 17 1HB ALA 17 4.011 12.602 -6.354 143 3HB ALA 17 3HB ALA 17 5.375 11.641 -5.781 144 H GLU 18 H GLU 18 2.514 9.286 -7.028 145 HA GLU 18 HA GLU 18 0.106 10.722 -7.578 146 1HB GLU 18 2HB GLU 18 0.885 7.906 -8.354 147 2HB GLU 18 1HB GLU 18 -0.403 8.860 -9.068 148 1HG GLU 18 2HG GLU 18 1.166 10.407 -10.000 149 2HG GLU 18 1HG GLU 18 2.500 9.633 -9.144 150 H ALA 19 H ALA 19 0.798 7.560 -6.118 151 HA ALA 19 HA ALA 19 -1.684 6.707 -5.413 152 1HB ALA 19 3HB ALA 19 -0.282 5.125 -4.693 153 2HB ALA 19 1HB ALA 19 -0.203 6.045 -3.191 154 3HB ALA 19 2HB ALA 19 1.024 6.281 -4.436 155 H LYS 20 H LYS 20 0.393 8.839 -3.459 156 HA LYS 20 HA LYS 20 -1.473 9.255 -1.388 157 1HB LYS 20 2HB LYS 20 1.044 9.742 -1.405 158 2HB LYS 20 1HB LYS 20 0.632 11.243 -2.219 159 1HG LYS 20 2HG LYS 20 -0.805 11.848 -0.306 160 2HG LYS 20 1HG LYS 20 -0.286 10.375 0.515 161 1HD LYS 20 2HD LYS 20 2.092 11.230 0.206 162 2HD LYS 20 1HD LYS 20 1.363 12.777 -0.229 163 1HE LYS 20 2HE LYS 20 0.801 13.249 1.893 164 2HE LYS 20 1HE LYS 20 0.305 11.592 2.232 165 1HZ LYS 20 1HZ LYS 20 3.076 11.602 1.925 166 2HZ LYS 20 3HZ LYS 20 2.687 12.883 2.960 167 3HZ LYS 20 2HZ LYS 20 2.186 11.312 3.334 168 H ALA 21 H ALA 21 -0.546 11.372 -4.098 169 HA ALA 21 HA ALA 21 -2.195 13.488 -3.757 170 1HB ALA 21 2HB ALA 21 -2.364 13.602 -6.273 171 2HB ALA 21 3HB ALA 21 -1.503 12.063 -6.314 172 3HB ALA 21 1HB ALA 21 -0.732 13.487 -5.616 173 H VAL 22 H VAL 22 -3.137 10.320 -4.982 174 HA VAL 22 HA VAL 22 -5.797 11.024 -5.669 175 HB VAL 22 HB VAL 22 -4.377 8.428 -5.222 176 1HG1 VAL 22 3HG1 VAL 22 -7.353 8.747 -5.588 177 2HG1 VAL 22 2HG1 VAL 22 -6.473 7.229 -5.768 178 3HG1 VAL 22 1HG1 VAL 22 -6.525 8.037 -4.201 179 1HG2 VAL 22 1HG2 VAL 22 -4.268 9.752 -7.370 180 2HG2 VAL 22 3HG2 VAL 22 -4.790 8.074 -7.525 181 3HG2 VAL 22 2HG2 VAL 22 -5.978 9.376 -7.586 182 H CYS 23 H CYS 23 -4.457 9.335 -2.841 183 HA CYS 23 HA CYS 23 -6.903 9.122 -1.460 184 1HB CYS 23 2HB CYS 23 -4.032 9.070 -0.529 185 2HB CYS 23 1HB CYS 23 -5.390 8.805 0.555 186 H GLU 24 H GLU 24 -4.220 11.434 -1.140 187 HA GLU 24 HA GLU 24 -5.490 13.048 0.811 188 1HB GLU 24 2HB GLU 24 -3.046 13.038 0.417 189 2HB GLU 24 1HB GLU 24 -3.308 13.799 -1.146 190 1HG GLU 24 2HG GLU 24 -4.122 15.792 -0.122 191 2HG GLU 24 1HG GLU 24 -4.139 15.030 1.467 192 H PHE 25 H PHE 25 -5.947 12.682 -2.530 193 HA PHE 25 HA PHE 25 -6.692 15.219 -3.384 194 1HB PHE 25 2HB PHE 25 -6.661 12.701 -4.490 195 2HB PHE 25 1HB PHE 25 -8.382 13.059 -4.424 196 HD1 PHE 25 HD1 PHE 25 -5.148 14.498 -5.551 197 HD2 PHE 25 HD2 PHE 25 -9.365 14.322 -6.089 198 HE1 PHE 25 HE1 PHE 25 -4.936 15.846 -7.598 199 HE2 PHE 25 HE2 PHE 25 -9.163 15.672 -8.138 200 HZ PHE 25 HZ PHE 25 -6.947 16.435 -8.896 201 H GLU 26 H GLU 26 -8.672 12.683 -1.906 202 HA GLU 26 HA GLU 26 -10.823 14.646 -1.524 203 1HB GLU 26 2HB GLU 26 -11.021 11.651 -1.238 204 2HB GLU 26 1HB GLU 26 -12.344 12.805 -1.334 205 1HG GLU 26 2HG GLU 26 -11.651 13.351 -3.636 206 2HG GLU 26 1HG GLU 26 -10.410 12.105 -3.529 207 H GLY 27 H GLY 27 -8.908 15.154 0.178 208 1HA GLY 27 1HA GLY 27 -10.029 15.059 2.685 209 2HA GLY 27 2HA GLY 27 -8.314 15.301 2.392 210 H GLY 28 H GLY 28 -7.682 12.794 1.293 211 1HA GLY 28 2HA GLY 28 -8.054 10.424 1.983 212 2HA GLY 28 1HA GLY 28 -8.158 11.040 3.627 213 H HIS 29 H HIS 29 -6.414 9.344 3.868 214 HA HIS 29 HA HIS 29 -3.797 10.421 3.089 215 1HB HIS 29 2HB HIS 29 -3.443 9.117 5.541 216 2HB HIS 29 1HB HIS 29 -3.382 10.844 5.234 217 HD1 HIS 29 HD1 HIS 29 -6.307 11.542 4.908 218 HD2 HIS 29 HD2 HIS 29 -4.889 8.944 7.821 219 HE1 HIS 29 HE1 HIS 29 -8.055 11.541 6.715 220 HE2 HIS 29 HE2 HIS 29 -7.126 10.040 8.513 221 H LEU 30 H LEU 30 -2.315 8.945 2.418 222 HA LEU 30 HA LEU 30 -3.281 6.318 1.827 223 1HB LEU 30 2HB LEU 30 -1.717 6.351 0.273 224 2HB LEU 30 1HB LEU 30 -1.288 7.967 0.799 225 HG LEU 30 HG LEU 30 0.139 6.435 2.549 226 1HD1 LEU 30 3HD1 LEU 30 -0.634 4.424 1.218 227 2HD1 LEU 30 2HD1 LEU 30 0.380 5.027 -0.092 228 3HD1 LEU 30 1HD1 LEU 30 1.106 4.587 1.453 229 1HD2 LEU 30 2HD2 LEU 30 0.671 7.947 0.095 230 2HD2 LEU 30 1HD2 LEU 30 1.459 8.025 1.670 231 3HD2 LEU 30 3HD2 LEU 30 1.922 6.775 0.515 232 H ALA 31 H ALA 31 -3.228 4.632 3.070 233 HA ALA 31 HA ALA 31 -2.435 4.583 5.685 234 1HB ALA 31 2HB ALA 31 -3.176 2.556 3.706 235 2HB ALA 31 1HB ALA 31 -2.207 1.954 5.050 236 3HB ALA 31 3HB ALA 31 -3.730 2.786 5.366 237 H THR 32 H THR 32 -0.734 3.388 6.781 238 HA THR 32 HA THR 32 1.821 3.565 5.323 239 HB THR 32 HB THR 32 2.926 4.058 7.348 240 HG1 THR 32 HG1 THR 32 2.090 3.626 9.326 241 1HG2 THR 32 2HG2 THR 32 0.628 5.587 6.584 242 2HG2 THR 32 1HG2 THR 32 0.846 5.688 8.330 243 3HG2 THR 32 3HG2 THR 32 2.162 6.146 7.250 244 H TYR 33 H TYR 33 3.329 2.228 7.299 245 HA TYR 33 HA TYR 33 2.869 -0.499 6.511 246 1HB TYR 33 2HB TYR 33 5.146 0.091 6.661 247 2HB TYR 33 1HB TYR 33 4.930 0.879 8.215 248 HD1 TYR 33 HD1 TYR 33 4.562 -2.516 6.686 249 HD2 TYR 33 HD2 TYR 33 5.683 -0.224 10.092 250 HE1 TYR 33 HE1 TYR 33 5.270 -4.571 7.827 251 HE2 TYR 33 HE2 TYR 33 6.400 -2.275 11.242 252 HH TYR 33 HH TYR 33 5.676 -4.887 10.970 253 H LYS 34 H LYS 34 3.501 0.793 9.740 254 HA LYS 34 HA LYS 34 2.446 -1.237 11.230 255 1HB LYS 34 2HB LYS 34 2.124 1.666 11.979 256 2HB LYS 34 1HB LYS 34 2.282 0.292 13.061 257 1HG LYS 34 2HG LYS 34 4.594 0.068 11.727 258 2HG LYS 34 1HG LYS 34 4.348 1.812 11.611 259 1HD LYS 34 2HD LYS 34 3.738 1.155 14.257 260 2HD LYS 34 1HD LYS 34 5.185 0.223 13.868 261 1HE LYS 34 2HE LYS 34 6.308 2.094 14.355 262 2HE LYS 34 1HE LYS 34 5.757 2.667 12.781 263 1HZ LYS 34 2HZ LYS 34 4.348 3.125 15.354 264 2HZ LYS 34 1HZ LYS 34 5.305 4.264 14.550 265 3HZ LYS 34 3HZ LYS 34 3.871 3.711 13.841 266 H GLN 35 H GLN 35 0.726 1.426 9.683 267 HA GLN 35 HA GLN 35 -1.788 0.956 10.882 268 1HB GLN 35 2HB GLN 35 -1.023 2.256 8.263 269 2HB GLN 35 1HB GLN 35 -2.658 2.242 8.903 270 1HG GLN 35 2HG GLN 35 -1.873 3.442 10.896 271 2HG GLN 35 1HG GLN 35 -0.252 3.493 10.205 272 1HE2 GLN 35 1HE2 GLN 35 -1.178 5.839 10.832 273 2HE2 GLN 35 2HE2 GLN 35 -1.728 6.728 9.457 274 H LEU 36 H LEU 36 -0.467 -0.016 7.718 275 HA LEU 36 HA LEU 36 -2.662 -1.498 6.840 276 1HB LEU 36 2HB LEU 36 -0.026 -1.010 5.969 277 2HB LEU 36 1HB LEU 36 -0.198 -2.753 6.036 278 HG LEU 36 HG LEU 36 -0.712 -1.771 3.809 279 1HD1 LEU 36 1HD1 LEU 36 -2.155 -3.706 5.273 280 2HD1 LEU 36 3HD1 LEU 36 -3.321 -2.800 4.308 281 3HD1 LEU 36 2HD1 LEU 36 -1.950 -3.586 3.526 282 1HD2 LEU 36 2HD2 LEU 36 -2.866 -0.412 5.393 283 2HD2 LEU 36 1HD2 LEU 36 -1.706 0.295 4.268 284 3HD2 LEU 36 3HD2 LEU 36 -3.028 -0.702 3.662 285 H GLU 37 H GLU 37 -0.289 -2.166 9.237 286 HA GLU 37 HA GLU 37 -0.582 -5.002 9.310 287 1HB GLU 37 2HB GLU 37 1.389 -3.780 10.213 288 2HB GLU 37 1HB GLU 37 0.366 -3.137 11.488 289 1HG GLU 37 2HG GLU 37 -0.136 -5.690 11.894 290 2HG GLU 37 1HG GLU 37 1.432 -5.879 11.110 291 H ALA 38 H ALA 38 -1.605 -2.502 11.609 292 HA ALA 38 HA ALA 38 -3.265 -4.097 13.153 293 1HB ALA 38 1HB ALA 38 -3.282 -2.208 14.318 294 2HB ALA 38 3HB ALA 38 -2.672 -1.307 12.930 295 3HB ALA 38 2HB ALA 38 -4.408 -1.527 13.144 296 H ALA 39 H ALA 39 -3.699 -3.007 9.973 297 HA ALA 39 HA ALA 39 -6.609 -3.280 10.055 298 1HB ALA 39 1HB ALA 39 -4.826 -2.596 7.719 299 2HB ALA 39 2HB ALA 39 -5.588 -1.413 8.782 300 3HB ALA 39 3HB ALA 39 -6.584 -2.468 7.778 301 H ARG 40 H ARG 40 -3.728 -4.881 9.027 302 HA ARG 40 HA ARG 40 -4.944 -6.836 7.353 303 1HB ARG 40 2HB ARG 40 -2.630 -6.383 7.030 304 2HB ARG 40 1HB ARG 40 -2.282 -6.611 8.739 305 1HG ARG 40 2HG ARG 40 -3.434 -9.006 7.682 306 2HG ARG 40 1HG ARG 40 -2.090 -8.497 6.660 307 1HD ARG 40 2HD ARG 40 -1.031 -8.120 9.125 308 2HD ARG 40 1HD ARG 40 -2.094 -9.493 9.426 309 HE ARG 40 HE ARG 40 -0.519 -9.891 7.092 310 1HH1 ARG 40 2HH1 ARG 40 -0.409 -9.971 10.572 311 2HH1 ARG 40 1HH1 ARG 40 0.879 -11.129 10.634 312 1HH2 ARG 40 2HH2 ARG 40 1.177 -11.416 7.162 313 2HH2 ARG 40 1HH2 ARG 40 1.779 -11.949 8.697 314 H LYS 41 H LYS 41 -4.186 -6.540 10.750 315 HA LYS 41 HA LYS 41 -4.584 -9.260 11.424 316 1HB LYS 41 2HB LYS 41 -4.941 -6.930 13.297 317 2HB LYS 41 1HB LYS 41 -4.458 -8.572 13.696 318 1HG LYS 41 2HG LYS 41 -2.426 -8.054 12.152 319 2HG LYS 41 1HG LYS 41 -2.863 -6.374 12.473 320 1HD LYS 41 2HD LYS 41 -2.889 -7.885 14.916 321 2HD LYS 41 1HD LYS 41 -1.342 -8.090 14.093 322 1HE LYS 41 2HE LYS 41 -0.698 -6.051 14.687 323 2HE LYS 41 1HE LYS 41 -2.148 -5.344 13.973 324 1HZ LYS 41 1HZ LYS 41 -3.252 -6.177 16.143 325 2HZ LYS 41 3HZ LYS 41 -1.672 -6.188 16.749 326 3HZ LYS 41 2HZ LYS 41 -2.344 -4.749 16.169 327 H ILE 42 H ILE 42 -6.754 -6.745 10.659 328 HA ILE 42 HA ILE 42 -8.969 -7.898 12.152 329 HB ILE 42 HB ILE 42 -10.254 -6.040 11.475 330 1HG1 ILE 42 2HG1 ILE 42 -8.344 -4.768 9.660 331 2HG1 ILE 42 1HG1 ILE 42 -8.944 -6.307 9.057 332 1HG2 ILE 42 1HG2 ILE 42 -7.388 -5.289 11.981 333 2HG2 ILE 42 3HG2 ILE 42 -8.673 -4.084 11.882 334 3HG2 ILE 42 2HG2 ILE 42 -8.732 -5.336 13.123 335 1HD1 ILE 42 2HD1 ILE 42 -11.239 -5.110 9.897 336 2HD1 ILE 42 1HD1 ILE 42 -10.295 -3.736 9.321 337 3HD1 ILE 42 3HD1 ILE 42 -10.626 -5.091 8.243 338 H GLY 43 H GLY 43 -7.468 -8.313 9.162 339 1HA GLY 43 1HA GLY 43 -9.918 -9.500 8.013 340 2HA GLY 43 2HA GLY 43 -8.371 -10.335 7.976 341 H PHE 44 H PHE 44 -7.285 -7.406 7.582 342 HA PHE 44 HA PHE 44 -8.124 -6.821 4.886 343 1HB PHE 44 2HB PHE 44 -7.361 -5.134 6.673 344 2HB PHE 44 1HB PHE 44 -5.724 -5.632 6.260 345 HD1 PHE 44 HD1 PHE 44 -7.806 -5.839 3.424 346 HD2 PHE 44 HD2 PHE 44 -5.645 -3.071 5.828 347 HE1 PHE 44 HE1 PHE 44 -7.794 -4.235 1.559 348 HE2 PHE 44 HE2 PHE 44 -5.631 -1.461 3.968 349 HZ PHE 44 HZ PHE 44 -6.703 -2.043 1.830 350 H HIS 45 H HIS 45 -7.273 -7.593 3.069 351 HA HIS 45 HA HIS 45 -4.494 -8.437 2.975 352 1HB HIS 45 2HB HIS 45 -5.731 -10.450 3.725 353 2HB HIS 45 1HB HIS 45 -6.733 -10.351 2.282 354 HD1 HIS 45 HD1 HIS 45 -4.669 -12.687 3.175 355 HD2 HIS 45 HD2 HIS 45 -4.155 -9.852 0.180 356 HE1 HIS 45 HE1 HIS 45 -2.994 -13.683 1.587 357 HE2 HIS 45 HE2 HIS 45 -2.699 -11.952 -0.220 358 H VAL 46 H VAL 46 -3.619 -7.806 1.117 359 HA VAL 46 HA VAL 46 -5.153 -7.850 -1.344 360 HB VAL 46 HB VAL 46 -3.867 -5.320 -1.375 361 1HG1 VAL 46 1HG1 VAL 46 -5.872 -6.174 -2.652 362 2HG1 VAL 46 3HG1 VAL 46 -6.822 -5.844 -1.203 363 3HG1 VAL 46 2HG1 VAL 46 -5.993 -4.527 -2.033 364 1HG2 VAL 46 1HG2 VAL 46 -4.068 -5.464 1.118 365 2HG2 VAL 46 3HG2 VAL 46 -4.915 -4.099 0.385 366 3HG2 VAL 46 2HG2 VAL 46 -5.819 -5.522 0.910 367 H CYS 47 H CYS 47 -3.771 -9.163 -2.397 368 HA CYS 47 HA CYS 47 -0.952 -9.072 -2.139 369 1HB CYS 47 2HB CYS 47 -2.017 -10.224 -4.631 370 2HB CYS 47 1HB CYS 47 -0.964 -10.940 -3.415 371 H ALA 48 H ALA 48 -0.356 -6.908 -2.515 372 HA ALA 48 HA ALA 48 0.571 -6.317 -5.064 373 1HB ALA 48 1HB ALA 48 -1.881 -6.048 -5.535 374 2HB ALA 48 2HB ALA 48 -0.888 -4.637 -5.906 375 3HB ALA 48 3HB ALA 48 -1.869 -4.665 -4.439 376 H ALA 49 H ALA 49 2.299 -5.139 -4.614 377 HA ALA 49 HA ALA 49 3.012 -4.012 -2.254 378 1HB ALA 49 1HB ALA 49 4.839 -3.775 -3.502 379 2HB ALA 49 3HB ALA 49 3.901 -3.781 -4.995 380 3HB ALA 49 2HB ALA 49 4.139 -2.275 -4.108 381 H GLY 50 H GLY 50 2.140 -2.491 -1.013 382 1HA GLY 50 2HA GLY 50 0.227 -0.968 -0.766 383 2HA GLY 50 1HA GLY 50 0.649 -0.313 -2.340 384 H TRP 51 H TRP 51 1.474 1.638 -2.195 385 HA TRP 51 HA TRP 51 3.819 2.308 -0.906 386 1HB TRP 51 2HB TRP 51 1.525 3.906 -1.968 387 2HB TRP 51 1HB TRP 51 2.814 4.721 -1.091 388 HD1 TRP 51 HD1 TRP 51 1.933 3.443 -4.461 389 HE1 TRP 51 HE1 TRP 51 3.966 3.631 -6.041 390 HE3 TRP 51 HE3 TRP 51 5.556 4.457 -1.006 391 HZ2 TRP 51 HZ2 TRP 51 6.740 4.145 -5.838 392 HZ3 TRP 51 HZ3 TRP 51 7.869 4.785 -1.772 393 HH2 TRP 51 HH2 TRP 51 8.449 4.630 -4.140 394 H MET 52 H MET 52 3.997 4.153 0.729 395 HA MET 52 HA MET 52 2.036 4.428 2.758 396 1HB MET 52 2HB MET 52 3.519 3.348 4.564 397 2HB MET 52 1HB MET 52 2.549 2.287 3.553 398 1HG MET 52 2HG MET 52 4.468 1.727 2.217 399 2HG MET 52 1HG MET 52 5.459 2.891 3.094 400 1HE MET 52 1HE MET 52 3.952 -0.263 2.640 401 2HE MET 52 3HE MET 52 5.347 -1.155 3.251 402 3HE MET 52 2HE MET 52 3.851 -1.111 4.183 403 H ALA 53 H ALA 53 3.098 5.499 4.775 404 HA ALA 53 HA ALA 53 4.239 7.890 4.045 405 1HB ALA 53 3HB ALA 53 5.010 7.994 6.482 406 2HB ALA 53 1HB ALA 53 4.260 6.406 6.651 407 3HB ALA 53 2HB ALA 53 3.285 7.797 6.175 408 H LYS 54 H LYS 54 6.365 8.791 4.499 409 HA LYS 54 HA LYS 54 8.628 8.866 4.335 410 1HB LYS 54 2HB LYS 54 8.137 6.250 5.610 411 2HB LYS 54 1HB LYS 54 9.695 6.413 4.813 412 1HG LYS 54 2HG LYS 54 8.691 8.439 6.786 413 2HG LYS 54 1HG LYS 54 9.584 7.000 7.277 414 1HD LYS 54 2HD LYS 54 11.531 7.688 6.184 415 2HD LYS 54 1HD LYS 54 10.664 8.851 5.178 416 1HE LYS 54 2HE LYS 54 11.383 10.377 6.648 417 2HE LYS 54 1HE LYS 54 10.111 9.751 7.697 418 1HZ LYS 54 3HZ LYS 54 12.924 8.798 7.683 419 2HZ LYS 54 2HZ LYS 54 12.269 9.872 8.812 420 3HZ LYS 54 1HZ LYS 54 11.698 8.282 8.729 421 H GLY 55 H GLY 55 6.747 7.714 2.156 422 1HA GLY 55 1HA GLY 55 8.712 7.503 0.139 423 2HA GLY 55 2HA GLY 55 7.008 7.110 -0.047 424 H ARG 56 H ARG 56 7.015 5.116 2.058 425 HA ARG 56 HA ARG 56 8.790 3.054 0.965 426 1HB ARG 56 2HB ARG 56 7.679 3.630 3.596 427 2HB ARG 56 1HB ARG 56 7.441 1.952 3.129 428 1HG ARG 56 2HG ARG 56 9.925 1.924 2.573 429 2HG ARG 56 1HG ARG 56 10.016 3.453 3.450 430 1HD ARG 56 2HD ARG 56 8.540 1.680 5.065 431 2HD ARG 56 1HD ARG 56 9.938 0.782 4.477 432 HE ARG 56 HE ARG 56 11.174 2.919 5.311 433 1HH1 ARG 56 2HH1 ARG 56 8.465 1.324 6.812 434 2HH1 ARG 56 1HH1 ARG 56 8.906 1.805 8.417 435 1HH2 ARG 56 1HH2 ARG 56 11.762 3.559 7.419 436 2HH2 ARG 56 2HH2 ARG 56 10.780 3.077 8.761 437 H VAL 57 H VAL 57 7.923 0.917 0.561 438 HA VAL 57 HA VAL 57 5.065 0.626 0.266 439 HB VAL 57 HB VAL 57 5.270 1.581 -1.813 440 1HG1 VAL 57 2HG1 VAL 57 8.048 0.635 -1.661 441 2HG1 VAL 57 1HG1 VAL 57 7.348 0.708 -3.278 442 3HG1 VAL 57 3HG1 VAL 57 7.392 2.156 -2.271 443 1HG2 VAL 57 3HG2 VAL 57 5.043 -1.231 -1.752 444 2HG2 VAL 57 2HG2 VAL 57 4.398 -0.113 -2.954 445 3HG2 VAL 57 1HG2 VAL 57 6.000 -0.818 -3.176 446 H GLY 58 H GLY 58 4.694 -1.315 1.098 447 1HA GLY 58 2HA GLY 58 5.925 -3.313 2.025 448 2HA GLY 58 1HA GLY 58 6.540 -3.510 0.391 449 H TYR 59 H TYR 59 5.272 -5.605 1.542 450 HA TYR 59 HA TYR 59 2.540 -5.576 0.464 451 1HB TYR 59 2HB TYR 59 3.810 -8.130 -0.026 452 2HB TYR 59 1HB TYR 59 2.966 -7.068 -1.151 453 HD1 TYR 59 HD1 TYR 59 4.367 -4.948 -1.915 454 HD2 TYR 59 HD2 TYR 59 6.052 -8.545 -0.388 455 HE1 TYR 59 HE1 TYR 59 6.499 -4.408 -3.013 456 HE2 TYR 59 HE2 TYR 59 8.189 -8.013 -1.479 457 HH TYR 59 HH TYR 59 9.242 -5.424 -2.302 458 HA PRO 60 HA PRO 60 2.170 -7.264 4.658 459 1HB PRO 60 2HB PRO 60 -0.696 -7.096 3.973 460 2HB PRO 60 1HB PRO 60 0.175 -6.400 5.340 461 1HG PRO 60 2HG PRO 60 -0.732 -4.887 3.313 462 2HG PRO 60 1HG PRO 60 0.770 -4.509 4.173 463 1HD PRO 60 2HD PRO 60 0.379 -5.754 1.488 464 2HD PRO 60 1HD PRO 60 1.627 -4.617 2.036 465 H ILE 61 H ILE 61 -0.814 -8.301 3.253 466 HA ILE 61 HA ILE 61 -1.604 -10.319 2.532 467 HB ILE 61 HB ILE 61 1.262 -11.275 2.508 468 1HG1 ILE 61 1HG1 ILE 61 0.993 -9.317 1.061 469 2HG1 ILE 61 2HG1 ILE 61 1.222 -10.774 0.100 470 1HG2 ILE 61 1HG2 ILE 61 -0.702 -12.931 2.491 471 2HG2 ILE 61 3HG2 ILE 61 -1.000 -12.340 0.856 472 3HG2 ILE 61 2HG2 ILE 61 0.541 -13.100 1.252 473 1HD1 ILE 61 2HD1 ILE 61 -1.500 -10.629 0.309 474 2HD1 ILE 61 1HD1 ILE 61 -1.024 -8.934 0.199 475 3HD1 ILE 61 3HD1 ILE 61 -0.536 -10.069 -1.059 476 H VAL 62 H VAL 62 -2.737 -11.218 4.122 477 HA VAL 62 HA VAL 62 -1.488 -12.012 6.599 478 HB VAL 62 HB VAL 62 -4.238 -12.914 6.226 479 1HG1 VAL 62 3HG1 VAL 62 -2.766 -12.482 8.346 480 2HG1 VAL 62 2HG1 VAL 62 -3.362 -10.831 8.172 481 3HG1 VAL 62 1HG1 VAL 62 -4.500 -12.162 8.383 482 1HG2 VAL 62 3HG2 VAL 62 -3.572 -10.011 5.792 483 2HG2 VAL 62 2HG2 VAL 62 -4.505 -11.080 4.744 484 3HG2 VAL 62 1HG2 VAL 62 -5.165 -10.574 6.300 485 H LYS 63 H LYS 63 -2.918 -13.579 3.786 486 HA LYS 63 HA LYS 63 -2.090 -16.190 4.865 487 1HB LYS 63 2HB LYS 63 -4.385 -15.314 3.214 488 2HB LYS 63 1HB LYS 63 -3.663 -16.853 2.772 489 1HG LYS 63 2HG LYS 63 -3.971 -17.625 5.098 490 2HG LYS 63 1HG LYS 63 -4.791 -16.105 5.461 491 1HD LYS 63 2HD LYS 63 -6.677 -17.123 4.845 492 2HD LYS 63 1HD LYS 63 -6.076 -17.015 3.190 493 1HE LYS 63 2HE LYS 63 -4.798 -19.243 4.150 494 2HE LYS 63 1HE LYS 63 -6.373 -19.338 4.934 495 1HZ LYS 63 3HZ LYS 63 -6.289 -18.757 2.066 496 2HZ LYS 63 2HZ LYS 63 -5.974 -20.342 2.565 497 3HZ LYS 63 1HZ LYS 63 -7.445 -19.607 2.961 498 HA PRO 64 HA PRO 64 1.142 -15.672 1.746 499 1HB PRO 64 2HB PRO 64 2.407 -18.018 2.436 500 2HB PRO 64 1HB PRO 64 2.694 -16.461 3.216 501 1HG PRO 64 2HG PRO 64 0.994 -18.745 4.106 502 2HG PRO 64 1HG PRO 64 2.029 -17.675 5.066 503 1HD PRO 64 2HD PRO 64 -0.653 -17.395 4.989 504 2HD PRO 64 1HD PRO 64 0.440 -16.004 5.151 505 H GLY 65 H GLY 65 0.775 -16.181 -0.310 506 1HA GLY 65 2HA GLY 65 -0.846 -17.501 -1.722 507 2HA GLY 65 1HA GLY 65 -0.162 -18.913 -0.930 508 HA PRO 66 HA PRO 66 2.704 -19.233 -4.267 509 1HB PRO 66 2HB PRO 66 1.298 -19.350 -6.602 510 2HB PRO 66 1HB PRO 66 1.388 -20.688 -5.452 511 1HG PRO 66 2HG PRO 66 -0.774 -18.652 -5.829 512 2HG PRO 66 1HG PRO 66 -0.916 -20.398 -5.550 513 1HD PRO 66 2HD PRO 66 -1.282 -18.590 -3.579 514 2HD PRO 66 1HD PRO 66 -0.572 -20.189 -3.275 515 H ASN 67 H ASN 67 0.208 -17.143 -5.736 516 HA ASN 67 HA ASN 67 2.349 -15.256 -6.461 517 1HB ASN 67 2HB ASN 67 0.318 -14.538 -8.095 518 2HB ASN 67 1HB ASN 67 1.546 -15.722 -8.534 519 1HD2 ASN 67 2HD2 ASN 67 -1.451 -15.681 -6.626 520 2HD2 ASN 67 1HD2 ASN 67 -2.127 -17.098 -7.347 521 H CYS 68 H CYS 68 -0.120 -15.689 -4.331 522 HA CYS 68 HA CYS 68 -0.704 -12.805 -4.183 523 1HB CYS 68 2HB CYS 68 -2.442 -15.064 -4.164 524 2HB CYS 68 1HB CYS 68 -2.523 -14.305 -2.579 525 H GLY 69 H GLY 69 1.667 -13.901 -3.100 526 1HA GLY 69 1HA GLY 69 1.309 -14.364 -0.282 527 2HA GLY 69 2HA GLY 69 1.866 -12.734 -0.644 528 H PHE 70 H PHE 70 2.797 -15.351 -2.713 529 HA PHE 70 HA PHE 70 4.805 -16.309 -3.183 530 1HB PHE 70 2HB PHE 70 5.815 -13.831 -1.776 531 2HB PHE 70 1HB PHE 70 6.855 -14.973 -2.620 532 HD1 PHE 70 HD1 PHE 70 6.002 -15.508 -5.106 533 HD2 PHE 70 HD2 PHE 70 5.204 -11.948 -2.916 534 HE1 PHE 70 HE1 PHE 70 5.618 -14.301 -7.216 535 HE2 PHE 70 HE2 PHE 70 4.818 -10.735 -5.021 536 HZ PHE 70 HZ PHE 70 5.025 -11.911 -7.175 537 H GLY 71 H GLY 71 3.389 -16.811 -0.592 538 1HA GLY 71 1HA GLY 71 5.271 -18.611 0.520 539 2HA GLY 71 2HA GLY 71 3.713 -18.189 1.222 540 H LYS 72 H LYS 72 4.794 -15.273 0.990 541 HA LYS 72 HA LYS 72 6.776 -15.271 3.115 542 1HB LYS 72 2HB LYS 72 5.494 -12.909 1.735 543 2HB LYS 72 1HB LYS 72 6.953 -12.897 2.717 544 1HG LYS 72 2HG LYS 72 8.127 -14.205 1.068 545 2HG LYS 72 1HG LYS 72 6.656 -14.371 0.108 546 1HD LYS 72 2HD LYS 72 7.121 -12.472 -0.943 547 2HD LYS 72 1HD LYS 72 7.078 -11.606 0.596 548 1HE LYS 72 2HE LYS 72 9.216 -11.389 -0.723 549 2HE LYS 72 1HE LYS 72 9.396 -11.926 0.947 550 1HZ LYS 72 1HZ LYS 72 9.252 -13.830 -1.315 551 2HZ LYS 72 3HZ LYS 72 10.717 -13.167 -0.786 552 3HZ LYS 72 2HZ LYS 72 9.792 -14.119 0.261 553 H THR 73 H THR 73 6.504 -14.161 5.102 554 HA THR 73 HA THR 73 3.689 -13.867 5.926 555 HB THR 73 HB THR 73 4.998 -14.275 8.277 556 HG1 THR 73 HG1 THR 73 6.940 -14.823 7.148 557 1HG2 THR 73 1HG2 THR 73 3.402 -15.942 6.435 558 2HG2 THR 73 3HG2 THR 73 4.273 -16.804 7.702 559 3HG2 THR 73 2HG2 THR 73 3.123 -15.538 8.129 560 H GLY 74 H GLY 74 3.096 -11.946 6.707 561 1HA GLY 74 2HA GLY 74 5.080 -10.203 7.959 562 2HA GLY 74 1HA GLY 74 3.335 -9.977 7.981 563 H ILE 75 H ILE 75 4.365 -7.724 7.501 564 HA ILE 75 HA ILE 75 3.783 -7.151 4.757 565 HB ILE 75 HB ILE 75 5.012 -5.212 6.698 566 1HG1 ILE 75 2HG1 ILE 75 2.520 -6.617 6.980 567 2HG1 ILE 75 1HG1 ILE 75 3.243 -5.425 8.053 568 1HG2 ILE 75 2HG2 ILE 75 4.550 -4.820 4.143 569 2HG2 ILE 75 1HG2 ILE 75 2.902 -4.544 4.709 570 3HG2 ILE 75 3HG2 ILE 75 4.225 -3.557 5.333 571 1HD1 ILE 75 1HD1 ILE 75 2.256 -3.648 6.610 572 2HD1 ILE 75 3HD1 ILE 75 1.396 -4.919 5.740 573 3HD1 ILE 75 2HD1 ILE 75 1.082 -4.656 7.456 574 H ILE 76 H ILE 76 5.305 -8.051 3.426 575 HA ILE 76 HA ILE 76 8.100 -7.917 3.872 576 HB ILE 76 HB ILE 76 6.742 -8.275 1.204 577 1HG1 ILE 76 2HG1 ILE 76 5.715 -9.871 2.655 578 2HG1 ILE 76 1HG1 ILE 76 6.939 -10.740 1.734 579 1HG2 ILE 76 1HG2 ILE 76 9.400 -8.054 1.821 580 2HG2 ILE 76 3HG2 ILE 76 9.153 -9.800 1.806 581 3HG2 ILE 76 2HG2 ILE 76 8.741 -8.839 0.385 582 1HD1 ILE 76 2HD1 ILE 76 7.243 -9.752 4.558 583 2HD1 ILE 76 1HD1 ILE 76 6.923 -11.416 4.067 584 3HD1 ILE 76 3HD1 ILE 76 8.451 -10.648 3.634 585 H ASP 77 H ASP 77 8.392 -5.665 4.375 586 HA ASP 77 HA ASP 77 8.282 -3.878 2.040 587 1HB ASP 77 2HB ASP 77 7.055 -2.828 3.724 588 2HB ASP 77 1HB ASP 77 8.139 -3.384 4.996 589 H TYR 78 H TYR 78 10.137 -3.469 1.049 590 HA TYR 78 HA TYR 78 12.646 -4.196 2.275 591 1HB TYR 78 2HB TYR 78 12.000 -3.072 -0.456 592 2HB TYR 78 1HB TYR 78 13.587 -3.625 0.057 593 HD1 TYR 78 HD1 TYR 78 10.096 -4.965 0.145 594 HD2 TYR 78 HD2 TYR 78 14.188 -5.690 -0.763 595 HE1 TYR 78 HE1 TYR 78 9.524 -7.245 -0.571 596 HE2 TYR 78 HE2 TYR 78 13.629 -7.975 -1.483 597 HH TYR 78 HH TYR 78 10.521 -9.370 -0.921 598 H GLY 79 H GLY 79 10.890 -1.704 2.943 599 1HA GLY 79 2HA GLY 79 13.101 -0.008 3.592 600 2HA GLY 79 1HA GLY 79 11.397 0.348 3.870 601 H ILE 80 H ILE 80 12.612 2.490 3.173 602 HA ILE 80 HA ILE 80 11.498 3.271 0.716 603 HB ILE 80 HB ILE 80 13.735 4.665 2.188 604 1HG1 ILE 80 1HG1 ILE 80 10.774 5.158 2.502 605 2HG1 ILE 80 2HG1 ILE 80 11.673 4.081 3.565 606 1HG2 ILE 80 1HG2 ILE 80 12.401 5.243 -0.236 607 2HG2 ILE 80 3HG2 ILE 80 11.859 6.419 0.960 608 3HG2 ILE 80 2HG2 ILE 80 13.580 6.231 0.626 609 1HD1 ILE 80 2HD1 ILE 80 12.842 6.748 3.248 610 2HD1 ILE 80 1HD1 ILE 80 11.261 6.708 4.027 611 3HD1 ILE 80 3HD1 ILE 80 12.598 5.773 4.697 612 H ARG 81 H ARG 81 12.157 2.859 -1.276 613 HA ARG 81 HA ARG 81 14.921 2.019 -1.726 614 1HB ARG 81 2HB ARG 81 12.474 1.881 -3.494 615 2HB ARG 81 1HB ARG 81 14.074 1.334 -3.974 616 1HG ARG 81 2HG ARG 81 12.934 0.239 -1.465 617 2HG ARG 81 1HG ARG 81 12.258 -0.317 -2.997 618 1HD ARG 81 2HD ARG 81 13.948 -1.851 -2.614 619 2HD ARG 81 1HD ARG 81 14.729 -0.681 -3.676 620 HE ARG 81 HE ARG 81 15.049 -0.412 -0.776 621 1HH1 ARG 81 1HH1 ARG 81 16.403 -1.097 -3.911 622 2HH1 ARG 81 2HH1 ARG 81 18.044 -0.978 -3.371 623 1HH2 ARG 81 1HH2 ARG 81 17.207 -0.252 -0.054 624 2HH2 ARG 81 2HH2 ARG 81 18.502 -0.498 -1.178 625 H LEU 82 H LEU 82 13.718 4.870 -1.426 626 HA LEU 82 HA LEU 82 14.066 6.948 -2.293 627 1HB LEU 82 2HB LEU 82 16.486 5.387 -2.873 628 2HB LEU 82 1HB LEU 82 16.285 6.809 -3.875 629 HG LEU 82 HG LEU 82 17.672 7.290 -1.928 630 1HD1 LEU 82 1HD1 LEU 82 14.987 8.601 -2.125 631 2HD1 LEU 82 3HD1 LEU 82 16.178 9.139 -0.941 632 3HD1 LEU 82 2HD1 LEU 82 16.559 9.193 -2.663 633 1HD2 LEU 82 1HD2 LEU 82 15.256 6.384 -0.379 634 2HD2 LEU 82 3HD2 LEU 82 16.887 5.714 -0.332 635 3HD2 LEU 82 2HD2 LEU 82 16.575 7.320 0.326 636 H ASN 83 H ASN 83 12.336 5.206 -3.787 637 HA ASN 83 HA ASN 83 12.569 6.508 -6.403 638 1HB ASN 83 2HB ASN 83 13.122 3.814 -6.037 639 2HB ASN 83 1HB ASN 83 11.455 3.820 -6.604 640 1HD2 ASN 83 1HD2 ASN 83 14.286 5.824 -7.347 641 2HD2 ASN 83 2HD2 ASN 83 14.229 5.570 -9.055 642 H ARG 84 H ARG 84 10.970 7.807 -5.032 643 HA ARG 84 HA ARG 84 8.416 6.786 -4.435 644 1HB ARG 84 2HB ARG 84 9.563 9.525 -4.798 645 2HB ARG 84 1HB ARG 84 7.821 9.335 -4.679 646 1HG ARG 84 2HG ARG 84 8.296 9.663 -2.489 647 2HG ARG 84 1HG ARG 84 8.492 7.911 -2.553 648 1HD ARG 84 2HD ARG 84 10.327 9.472 -1.469 649 2HD ARG 84 1HD ARG 84 10.762 8.017 -2.365 650 HE ARG 84 HE ARG 84 11.421 9.378 -4.191 651 1HH1 ARG 84 1HH1 ARG 84 10.499 11.181 -1.356 652 2HH1 ARG 84 2HH1 ARG 84 11.296 12.633 -1.862 653 1HH2 ARG 84 2HH2 ARG 84 12.473 11.288 -4.866 654 2HH2 ARG 84 1HH2 ARG 84 12.417 12.693 -3.856 655 H SER 85 H SER 85 9.839 7.103 -7.387 656 HA SER 85 HA SER 85 7.356 7.782 -8.788 657 1HB SER 85 2HB SER 85 10.220 8.030 -9.409 658 2HB SER 85 1HB SER 85 9.235 7.454 -10.754 659 HG SER 85 HG SER 85 9.496 9.839 -10.398 660 H GLU 86 H GLU 86 8.512 5.114 -7.498 661 HA GLU 86 HA GLU 86 8.696 3.219 -9.554 662 1HB GLU 86 2HB GLU 86 8.109 3.113 -6.631 663 2HB GLU 86 1HB GLU 86 7.795 1.676 -7.596 664 1HG GLU 86 2HG GLU 86 10.409 2.889 -8.079 665 2HG GLU 86 1HG GLU 86 10.171 2.305 -6.432 666 H ARG 87 H ARG 87 6.937 1.245 -9.290 667 HA ARG 87 HA ARG 87 4.285 2.440 -9.694 668 1HB ARG 87 2HB ARG 87 3.946 0.752 -11.538 669 2HB ARG 87 1HB ARG 87 5.034 2.083 -11.905 670 1HG ARG 87 2HG ARG 87 6.697 0.131 -10.881 671 2HG ARG 87 1HG ARG 87 5.537 -0.765 -11.861 672 1HD ARG 87 2HD ARG 87 6.128 0.352 -13.811 673 2HD ARG 87 1HD ARG 87 6.847 1.702 -12.934 674 HE ARG 87 HE ARG 87 8.536 -0.153 -12.232 675 1HH1 ARG 87 2HH1 ARG 87 7.022 0.254 -15.341 676 2HH1 ARG 87 1HH1 ARG 87 8.339 -0.447 -16.220 677 1HH2 ARG 87 2HH2 ARG 87 10.279 -1.078 -13.379 678 2HH2 ARG 87 1HH2 ARG 87 10.191 -1.206 -15.104 679 H TRP 88 H TRP 88 3.000 1.650 -8.219 680 HA TRP 88 HA TRP 88 2.746 -1.216 -7.855 681 1HB TRP 88 2HB TRP 88 3.098 0.486 -5.391 682 2HB TRP 88 1HB TRP 88 3.095 -1.268 -5.513 683 HD1 TRP 88 HD1 TRP 88 5.393 1.625 -5.354 684 HE1 TRP 88 HE1 TRP 88 7.818 0.867 -5.779 685 HE3 TRP 88 HE3 TRP 88 4.475 -3.090 -7.099 686 HZ2 TRP 88 HZ2 TRP 88 9.162 -1.430 -6.727 687 HZ3 TRP 88 HZ3 TRP 88 6.383 -4.505 -7.741 688 HH2 TRP 88 HH2 TRP 88 8.678 -3.690 -7.558 689 H ASP 89 H ASP 89 1.405 -0.225 -5.185 690 HA ASP 89 HA ASP 89 -1.071 0.737 -6.455 691 1HB ASP 89 2HB ASP 89 -1.042 -0.983 -3.982 692 2HB ASP 89 1HB ASP 89 -2.391 -0.634 -5.058 693 H ALA 90 H ALA 90 -2.567 1.276 -4.277 694 HA ALA 90 HA ALA 90 -1.003 2.961 -2.483 695 1HB ALA 90 2HB ALA 90 -1.618 4.308 -4.532 696 2HB ALA 90 1HB ALA 90 -3.299 4.149 -4.024 697 3HB ALA 90 3HB ALA 90 -2.138 4.975 -2.985 698 H TYR 91 H TYR 91 -1.834 2.923 -0.465 699 HA TYR 91 HA TYR 91 -4.453 1.665 -0.112 700 1HB TYR 91 2HB TYR 91 -2.051 2.005 1.657 701 2HB TYR 91 1HB TYR 91 -3.623 1.638 2.350 702 HD1 TYR 91 HD1 TYR 91 -4.816 -0.481 1.558 703 HD2 TYR 91 HD2 TYR 91 -0.715 0.311 0.746 704 HE1 TYR 91 HE1 TYR 91 -4.462 -2.857 1.068 705 HE2 TYR 91 HE2 TYR 91 -0.350 -2.071 0.256 706 HH TYR 91 HH TYR 91 -2.597 -4.135 -0.508 707 H CYS 92 H CYS 92 -6.065 3.100 -0.092 708 HA CYS 92 HA CYS 92 -5.656 5.777 0.920 709 1HB CYS 92 2HB CYS 92 -7.710 4.383 -0.662 710 2HB CYS 92 1HB CYS 92 -8.334 5.616 0.428 711 H TYR 93 H TYR 93 -6.178 6.517 2.858 712 HA TYR 93 HA TYR 93 -7.879 4.876 4.604 713 1HB TYR 93 2HB TYR 93 -5.585 4.486 5.246 714 2HB TYR 93 1HB TYR 93 -5.255 6.205 5.279 715 HD1 TYR 93 HD1 TYR 93 -7.217 7.445 6.866 716 HD2 TYR 93 HD2 TYR 93 -5.583 3.544 7.333 717 HE1 TYR 93 HE1 TYR 93 -7.788 7.501 9.255 718 HE2 TYR 93 HE2 TYR 93 -6.149 3.589 9.726 719 HH TYR 93 HH TYR 93 -7.417 4.678 11.301 720 H ASN 94 H ASN 94 -9.567 5.985 5.315 721 HA ASN 94 HA ASN 94 -9.286 8.884 5.744 722 1HB ASN 94 2HB ASN 94 -11.584 7.427 4.428 723 2HB ASN 94 1HB ASN 94 -11.689 9.090 4.996 724 1HD2 ASN 94 2HD2 ASN 94 -12.156 9.694 2.837 725 2HD2 ASN 94 1HD2 ASN 94 -10.888 9.852 1.673 726 HA PRO 95 HA PRO 95 -10.769 8.403 9.860 727 1HB PRO 95 2HB PRO 95 -12.807 10.461 9.129 728 2HB PRO 95 1HB PRO 95 -11.713 10.404 10.517 729 1HG PRO 95 2HG PRO 95 -11.212 12.013 8.451 730 2HG PRO 95 1HG PRO 95 -9.901 11.164 9.288 731 1HD PRO 95 2HD PRO 95 -11.115 10.621 6.627 732 2HD PRO 95 1HD PRO 95 -9.450 10.365 7.184 733 H HIS 96 H HIS 96 -13.113 8.553 7.238 734 HA HIS 96 HA HIS 96 -14.778 6.597 8.682 735 1HB HIS 96 2HB HIS 96 -15.669 8.815 6.826 736 2HB HIS 96 1HB HIS 96 -16.727 7.544 7.434 737 HD1 HIS 96 HD1 HIS 96 -16.241 10.889 8.037 738 HD2 HIS 96 HD2 HIS 96 -16.212 7.586 10.559 739 HE1 HIS 96 HE1 HIS 96 -16.688 11.797 10.339 740 HE2 HIS 96 HE2 HIS 96 -16.574 9.792 11.861 741 H ALA 97 H ALA 97 -13.369 7.648 5.668 742 HA ALA 97 HA ALA 97 -13.457 6.711 3.541 743 1HB ALA 97 3HB ALA 97 -12.412 4.276 3.874 744 2HB ALA 97 1HB ALA 97 -12.122 4.928 5.487 745 3HB ALA 97 2HB ALA 97 -11.471 5.756 4.071 746 H LYS 98 H LYS 98 -15.818 6.674 3.368 747 HA LYS 98 HA LYS 98 -17.375 4.437 4.071 748 1HB LYS 98 2HB LYS 98 -18.216 6.734 3.436 749 2HB LYS 98 1HB LYS 98 -17.901 6.307 1.759 750 1HG LYS 98 2HG LYS 98 -19.775 5.115 1.604 751 2HG LYS 98 1HG LYS 98 -19.485 4.302 3.142 752 1HD LYS 98 2HD LYS 98 -20.901 5.647 4.222 753 2HD LYS 98 1HD LYS 98 -20.186 7.092 3.507 754 1HE LYS 98 2HE LYS 98 -21.475 6.362 1.376 755 2HE LYS 98 1HE LYS 98 -22.430 5.390 2.496 756 1HZ LYS 98 1HZ LYS 98 -22.589 7.626 3.783 757 2HZ LYS 98 3HZ LYS 98 -22.232 8.312 2.278 758 3HZ LYS 98 2HZ LYS 98 -23.603 7.340 2.461 No H/Q in entry = 758 Start of MODEL 16 1 H1 GLY 1 2H GLY 1 -11.692 3.903 7.231 2 H2 GLY 1 1H GLY 1 -12.295 2.961 8.500 3 H3 GLY 1 3H GLY 1 -11.685 4.510 8.810 4 1HA GLY 1 2HA GLY 1 -10.313 2.073 8.836 5 2HA GLY 1 1HA GLY 1 -9.683 3.676 9.173 6 H VAL 2 H VAL 2 -8.106 1.757 8.027 7 HA VAL 2 HA VAL 2 -7.439 3.048 5.516 8 HB VAL 2 HB VAL 2 -5.564 2.716 6.891 9 1HG1 VAL 2 2HG1 VAL 2 -6.982 0.480 7.838 10 2HG1 VAL 2 1HG1 VAL 2 -5.440 -0.119 7.228 11 3HG1 VAL 2 3HG1 VAL 2 -5.471 1.147 8.455 12 1HG2 VAL 2 3HG2 VAL 2 -5.631 1.681 4.386 13 2HG2 VAL 2 2HG2 VAL 2 -4.173 1.844 5.366 14 3HG2 VAL 2 1HG2 VAL 2 -5.032 0.305 5.312 15 H TYR 3 H TYR 3 -7.367 2.081 3.520 16 HA TYR 3 HA TYR 3 -8.131 -0.720 3.271 17 1HB TYR 3 2HB TYR 3 -9.854 -0.180 1.565 18 2HB TYR 3 1HB TYR 3 -10.274 0.399 3.173 19 HD1 TYR 3 HD1 TYR 3 -9.794 2.877 3.690 20 HD2 TYR 3 HD2 TYR 3 -9.871 1.279 -0.252 21 HE1 TYR 3 HE1 TYR 3 -10.141 5.138 2.787 22 HE2 TYR 3 HE2 TYR 3 -10.217 3.535 -1.166 23 HH TYR 3 HH TYR 3 -9.955 5.810 -0.604 24 H HIS 4 H HIS 4 -8.274 -1.167 0.725 25 HA HIS 4 HA HIS 4 -5.663 -0.351 -0.283 26 1HB HIS 4 2HB HIS 4 -6.119 -2.729 -0.284 27 2HB HIS 4 1HB HIS 4 -7.596 -2.481 -1.210 28 HD1 HIS 4 HD1 HIS 4 -7.284 -3.169 -3.550 29 HD2 HIS 4 HD2 HIS 4 -3.816 -1.522 -1.962 30 HE1 HIS 4 HE1 HIS 4 -5.596 -3.232 -5.414 31 HE2 HIS 4 HE2 HIS 4 -3.481 -2.306 -4.404 32 H ARG 5 H ARG 5 -5.355 0.345 -2.465 33 HA ARG 5 HA ARG 5 -7.691 1.307 -3.911 34 1HB ARG 5 2HB ARG 5 -6.932 3.113 -2.303 35 2HB ARG 5 1HB ARG 5 -5.442 3.197 -3.229 36 1HG ARG 5 2HG ARG 5 -6.780 4.929 -4.055 37 2HG ARG 5 1HG ARG 5 -6.901 3.643 -5.257 38 1HD ARG 5 2HD ARG 5 -9.111 4.018 -5.075 39 2HD ARG 5 1HD ARG 5 -8.967 3.000 -3.643 40 HE ARG 5 HE ARG 5 -8.708 5.160 -2.390 41 1HH1 ARG 5 2HH1 ARG 5 -10.410 5.000 -5.424 42 2HH1 ARG 5 1HH1 ARG 5 -11.414 6.369 -5.080 43 1HH2 ARG 5 2HH2 ARG 5 -10.024 6.964 -1.928 44 2HH2 ARG 5 1HH2 ARG 5 -11.195 7.486 -3.093 45 H GLU 6 H GLU 6 -7.324 1.675 -6.109 46 HA GLU 6 HA GLU 6 -4.684 0.808 -7.092 47 1HB GLU 6 2HB GLU 6 -6.222 -0.940 -7.585 48 2HB GLU 6 1HB GLU 6 -7.438 0.193 -8.154 49 1HG GLU 6 2HG GLU 6 -6.013 0.745 -10.067 50 2HG GLU 6 1HG GLU 6 -4.815 -0.417 -9.496 51 H ALA 7 H ALA 7 -4.438 1.462 -9.497 52 HA ALA 7 HA ALA 7 -4.585 4.322 -9.589 53 1HB ALA 7 2HB ALA 7 -3.195 4.209 -11.437 54 2HB ALA 7 1HB ALA 7 -2.759 2.752 -10.545 55 3HB ALA 7 3HB ALA 7 -3.826 2.642 -11.944 56 H ARG 8 H ARG 8 -5.354 5.420 -11.645 57 HA ARG 8 HA ARG 8 -8.133 4.927 -11.948 58 1HB ARG 8 2HB ARG 8 -6.171 6.890 -12.959 59 2HB ARG 8 1HB ARG 8 -7.572 6.626 -13.987 60 1HG ARG 8 2HG ARG 8 -8.527 8.199 -12.725 61 2HG ARG 8 1HG ARG 8 -8.743 6.897 -11.553 62 1HD ARG 8 2HD ARG 8 -6.241 7.666 -10.939 63 2HD ARG 8 1HD ARG 8 -6.894 9.196 -11.518 64 HE ARG 8 HE ARG 8 -7.784 7.695 -9.175 65 1HH1 ARG 8 1HH1 ARG 8 -8.101 10.473 -11.252 66 2HH1 ARG 8 2HH1 ARG 8 -9.039 11.379 -10.113 67 1HH2 ARG 8 1HH2 ARG 8 -9.019 8.880 -7.668 68 2HH2 ARG 8 2HH2 ARG 8 -9.561 10.474 -8.075 69 H SER 9 H SER 9 -5.335 3.808 -13.599 70 HA SER 9 HA SER 9 -6.922 2.904 -15.890 71 1HB SER 9 2HB SER 9 -4.287 2.125 -16.326 72 2HB SER 9 1HB SER 9 -5.079 3.547 -17.003 73 HG SER 9 HG SER 9 -3.563 4.561 -15.947 74 H GLY 10 H GLY 10 -4.647 1.658 -13.469 75 1HA GLY 10 2HA GLY 10 -4.866 -1.042 -14.196 76 2HA GLY 10 1HA GLY 10 -6.066 -0.692 -12.963 77 H LYS 11 H LYS 11 -4.546 -2.475 -12.045 78 HA LYS 11 HA LYS 11 -3.169 -1.393 -9.868 79 1HB LYS 11 2HB LYS 11 -4.001 -3.596 -9.648 80 2HB LYS 11 1HB LYS 11 -3.182 -4.138 -11.106 81 1HG LYS 11 2HG LYS 11 -1.040 -3.993 -10.016 82 2HG LYS 11 1HG LYS 11 -1.785 -3.301 -8.573 83 1HD LYS 11 2HD LYS 11 -1.902 -5.395 -7.807 84 2HD LYS 11 1HD LYS 11 -3.216 -5.621 -8.964 85 1HE LYS 11 2HE LYS 11 -0.378 -5.989 -9.829 86 2HE LYS 11 1HE LYS 11 -1.204 -7.273 -8.948 87 1HZ LYS 11 1HZ LYS 11 -3.020 -6.666 -10.810 88 2HZ LYS 11 3HZ LYS 11 -1.593 -6.352 -11.664 89 3HZ LYS 11 2HZ LYS 11 -1.856 -7.880 -10.990 90 H TYR 12 H TYR 12 -0.938 -1.373 -9.342 91 HA TYR 12 HA TYR 12 1.223 -0.764 -9.747 92 1HB TYR 12 2HB TYR 12 0.915 -2.890 -11.878 93 2HB TYR 12 1HB TYR 12 2.453 -2.205 -11.366 94 HD1 TYR 12 HD1 TYR 12 0.966 -2.163 -8.388 95 HD2 TYR 12 HD2 TYR 12 2.157 -5.052 -11.276 96 HE1 TYR 12 HE1 TYR 12 1.129 -3.868 -6.614 97 HE2 TYR 12 HE2 TYR 12 2.324 -6.757 -9.514 98 HH TYR 12 HH TYR 12 1.069 -6.952 -7.017 99 H LYS 13 H LYS 13 0.360 1.348 -10.481 100 HA LYS 13 HA LYS 13 1.458 1.988 -13.066 101 1HB LYS 13 2HB LYS 13 -1.489 1.969 -12.570 102 2HB LYS 13 1HB LYS 13 -0.812 3.225 -13.596 103 1HG LYS 13 2HG LYS 13 0.218 1.435 -14.989 104 2HG LYS 13 1HG LYS 13 -0.662 0.251 -14.020 105 1HD LYS 13 2HD LYS 13 -2.714 1.797 -14.656 106 2HD LYS 13 1HD LYS 13 -1.672 2.204 -16.022 107 1HE LYS 13 2HE LYS 13 -1.980 -0.667 -15.354 108 2HE LYS 13 1HE LYS 13 -3.370 0.148 -16.067 109 1HZ LYS 13 3HZ LYS 13 -1.885 0.888 -17.880 110 2HZ LYS 13 2HZ LYS 13 -0.646 -0.059 -17.225 111 3HZ LYS 13 1HZ LYS 13 -2.055 -0.794 -17.802 112 H LEU 14 H LEU 14 0.704 2.708 -9.918 113 HA LEU 14 HA LEU 14 1.109 5.587 -10.353 114 1HB LEU 14 2HB LEU 14 0.116 5.810 -8.073 115 2HB LEU 14 1HB LEU 14 -0.987 5.292 -9.324 116 HG LEU 14 HG LEU 14 0.060 2.953 -8.175 117 1HD1 LEU 14 2HD1 LEU 14 -0.130 5.157 -6.263 118 2HD1 LEU 14 1HD1 LEU 14 -1.032 3.713 -5.798 119 3HD1 LEU 14 3HD1 LEU 14 0.696 3.603 -6.130 120 1HD2 LEU 14 3HD2 LEU 14 -2.255 3.567 -9.108 121 2HD2 LEU 14 2HD2 LEU 14 -2.173 2.447 -7.748 122 3HD2 LEU 14 1HD2 LEU 14 -2.602 4.136 -7.475 123 H THR 15 H THR 15 2.253 6.694 -8.570 124 HA THR 15 HA THR 15 4.443 5.015 -7.526 125 HB THR 15 HB THR 15 5.972 6.774 -7.825 126 HG1 THR 15 HG1 THR 15 3.661 8.405 -8.013 127 1HG2 THR 15 1HG2 THR 15 4.259 6.087 -10.043 128 2HG2 THR 15 3HG2 THR 15 4.912 7.713 -10.237 129 3HG2 THR 15 2HG2 THR 15 6.003 6.345 -10.015 130 H TYR 16 H TYR 16 5.591 6.875 -5.819 131 HA TYR 16 HA TYR 16 3.897 6.676 -3.554 132 1HB TYR 16 2HB TYR 16 6.265 6.674 -3.187 133 2HB TYR 16 1HB TYR 16 6.457 8.207 -4.029 134 HD1 TYR 16 HD1 TYR 16 4.774 6.726 -1.046 135 HD2 TYR 16 HD2 TYR 16 6.534 10.178 -2.810 136 HE1 TYR 16 HE1 TYR 16 4.547 7.927 1.088 137 HE2 TYR 16 HE2 TYR 16 6.313 11.386 -0.679 138 HH TYR 16 HH TYR 16 5.297 11.349 1.363 139 H ALA 17 H ALA 17 4.748 9.292 -5.753 140 HA ALA 17 HA ALA 17 3.272 11.297 -4.349 141 1HB ALA 17 2HB ALA 17 5.189 11.799 -5.837 142 2HB ALA 17 1HB ALA 17 4.201 11.326 -7.218 143 3HB ALA 17 3HB ALA 17 3.738 12.717 -6.238 144 H GLU 18 H GLU 18 2.618 9.148 -7.086 145 HA GLU 18 HA GLU 18 0.114 10.301 -7.769 146 1HB GLU 18 2HB GLU 18 1.304 7.576 -8.299 147 2HB GLU 18 1HB GLU 18 -0.222 8.121 -8.973 148 1HG GLU 18 2HG GLU 18 0.956 9.975 -10.081 149 2HG GLU 18 1HG GLU 18 2.479 9.354 -9.447 150 H ALA 19 H ALA 19 1.127 7.604 -5.758 151 HA ALA 19 HA ALA 19 -1.374 6.577 -5.080 152 1HB ALA 19 2HB ALA 19 0.019 5.117 -4.144 153 2HB ALA 19 3HB ALA 19 0.256 6.267 -2.826 154 3HB ALA 19 1HB ALA 19 1.350 6.274 -4.210 155 H LYS 20 H LYS 20 0.529 9.175 -3.632 156 HA LYS 20 HA LYS 20 -1.228 9.622 -1.438 157 1HB LYS 20 2HB LYS 20 1.247 10.285 -1.674 158 2HB LYS 20 1HB LYS 20 0.656 11.669 -2.581 159 1HG LYS 20 2HG LYS 20 -0.871 11.578 -0.232 160 2HG LYS 20 1HG LYS 20 0.802 11.284 0.250 161 1HD LYS 20 2HD LYS 20 0.649 13.401 -1.703 162 2HD LYS 20 1HD LYS 20 -0.383 13.748 -0.315 163 1HE LYS 20 2HE LYS 20 2.431 12.801 0.068 164 2HE LYS 20 1HE LYS 20 2.092 14.498 -0.263 165 1HZ LYS 20 3HZ LYS 20 0.430 14.246 1.674 166 2HZ LYS 20 2HZ LYS 20 1.349 12.888 2.087 167 3HZ LYS 20 1HZ LYS 20 2.078 14.413 2.024 168 H ALA 21 H ALA 21 -1.034 10.839 -4.711 169 HA ALA 21 HA ALA 21 -2.685 13.098 -4.412 170 1HB ALA 21 3HB ALA 21 -3.035 12.867 -6.883 171 2HB ALA 21 2HB ALA 21 -1.347 12.912 -6.370 172 3HB ALA 21 1HB ALA 21 -2.095 11.376 -6.806 173 H VAL 22 H VAL 22 -3.436 9.767 -5.353 174 HA VAL 22 HA VAL 22 -6.199 10.178 -5.754 175 HB VAL 22 HB VAL 22 -4.476 7.775 -5.367 176 1HG1 VAL 22 1HG1 VAL 22 -6.438 7.296 -3.996 177 2HG1 VAL 22 3HG1 VAL 22 -7.492 7.696 -5.354 178 3HG1 VAL 22 2HG1 VAL 22 -6.420 6.298 -5.450 179 1HG2 VAL 22 1HG2 VAL 22 -6.392 8.696 -7.501 180 2HG2 VAL 22 3HG2 VAL 22 -4.630 8.692 -7.577 181 3HG2 VAL 22 2HG2 VAL 22 -5.514 7.167 -7.541 182 H CYS 23 H CYS 23 -4.393 8.913 -2.977 183 HA CYS 23 HA CYS 23 -6.639 8.464 -1.339 184 1HB CYS 23 2HB CYS 23 -3.710 8.846 -0.765 185 2HB CYS 23 1HB CYS 23 -4.877 8.610 0.529 186 H GLU 24 H GLU 24 -4.322 11.161 -1.433 187 HA GLU 24 HA GLU 24 -5.716 12.705 0.512 188 1HB GLU 24 2HB GLU 24 -3.262 12.905 -0.106 189 2HB GLU 24 1HB GLU 24 -3.784 13.751 -1.556 190 1HG GLU 24 2HG GLU 24 -4.563 15.583 -0.359 191 2HG GLU 24 1HG GLU 24 -4.641 14.680 1.153 192 H PHE 25 H PHE 25 -6.330 12.014 -2.717 193 HA PHE 25 HA PHE 25 -7.344 14.391 -3.748 194 1HB PHE 25 2HB PHE 25 -7.161 11.789 -4.624 195 2HB PHE 25 1HB PHE 25 -8.901 12.016 -4.474 196 HD1 PHE 25 HD1 PHE 25 -5.870 13.594 -5.938 197 HD2 PHE 25 HD2 PHE 25 -10.083 13.037 -6.176 198 HE1 PHE 25 HE1 PHE 25 -5.897 14.764 -8.101 199 HE2 PHE 25 HE2 PHE 25 -10.119 14.207 -8.342 200 HZ PHE 25 HZ PHE 25 -8.024 15.071 -9.307 201 H GLU 26 H GLU 26 -9.035 11.832 -1.968 202 HA GLU 26 HA GLU 26 -11.307 13.655 -1.593 203 1HB GLU 26 2HB GLU 26 -11.237 10.696 -1.013 204 2HB GLU 26 1HB GLU 26 -12.652 11.730 -1.144 205 1HG GLU 26 2HG GLU 26 -12.168 12.070 -3.519 206 2HG GLU 26 1HG GLU 26 -10.778 10.994 -3.378 207 H GLY 27 H GLY 27 -9.436 14.543 -0.078 208 1HA GLY 27 1HA GLY 27 -10.354 14.523 2.508 209 2HA GLY 27 2HA GLY 27 -8.708 14.947 2.065 210 H GLY 28 H GLY 28 -7.933 12.392 1.067 211 1HA GLY 28 2HA GLY 28 -7.746 10.117 1.856 212 2HA GLY 28 1HA GLY 28 -8.148 10.695 3.468 213 H HIS 29 H HIS 29 -6.084 9.209 3.619 214 HA HIS 29 HA HIS 29 -3.641 10.738 3.154 215 1HB HIS 29 2HB HIS 29 -3.459 9.665 5.794 216 2HB HIS 29 1HB HIS 29 -3.344 11.345 5.282 217 HD1 HIS 29 HD1 HIS 29 -5.797 12.560 5.016 218 HD2 HIS 29 HD2 HIS 29 -5.592 9.153 7.388 219 HE1 HIS 29 HE1 HIS 29 -7.860 12.616 6.453 220 HE2 HIS 29 HE2 HIS 29 -7.671 10.590 7.938 221 H LEU 30 H LEU 30 -1.949 9.482 2.643 222 HA LEU 30 HA LEU 30 -2.169 6.865 1.902 223 1HB LEU 30 2HB LEU 30 -0.111 8.778 2.108 224 2HB LEU 30 1HB LEU 30 0.486 7.331 2.894 225 HG LEU 30 HG LEU 30 -0.657 7.360 0.107 226 1HD1 LEU 30 2HD1 LEU 30 1.763 8.475 0.951 227 2HD1 LEU 30 1HD1 LEU 30 2.182 6.911 0.248 228 3HD1 LEU 30 3HD1 LEU 30 1.278 8.092 -0.701 229 1HD2 LEU 30 3HD2 LEU 30 0.032 5.288 1.928 230 2HD2 LEU 30 2HD2 LEU 30 -0.543 5.151 0.264 231 3HD2 LEU 30 1HD2 LEU 30 1.187 5.265 0.594 232 H ALA 31 H ALA 31 -1.828 4.880 2.807 233 HA ALA 31 HA ALA 31 -2.031 4.737 5.697 234 1HB ALA 31 3HB ALA 31 -2.929 3.147 3.546 235 2HB ALA 31 2HB ALA 31 -1.812 2.157 4.485 236 3HB ALA 31 1HB ALA 31 -3.206 2.902 5.270 237 H THR 32 H THR 32 -0.519 3.800 7.061 238 HA THR 32 HA THR 32 2.187 3.615 5.954 239 HB THR 32 HB THR 32 3.010 3.861 8.196 240 HG1 THR 32 HG1 THR 32 1.618 3.859 9.972 241 1HG2 THR 32 1HG2 THR 32 0.832 5.733 7.364 242 2HG2 THR 32 3HG2 THR 32 1.668 5.981 8.897 243 3HG2 THR 32 2HG2 THR 32 2.578 5.983 7.385 244 H TYR 33 H TYR 33 3.484 2.099 7.738 245 HA TYR 33 HA TYR 33 2.808 -0.558 6.949 246 1HB TYR 33 2HB TYR 33 5.122 -0.082 7.242 247 2HB TYR 33 1HB TYR 33 4.857 0.577 8.848 248 HD1 TYR 33 HD1 TYR 33 4.358 -2.642 7.000 249 HD2 TYR 33 HD2 TYR 33 5.442 -0.731 10.646 250 HE1 TYR 33 HE1 TYR 33 4.877 -4.831 7.987 251 HE2 TYR 33 HE2 TYR 33 5.964 -2.918 11.643 252 HH TYR 33 HH TYR 33 6.274 -5.110 11.220 253 H LYS 34 H LYS 34 3.309 0.703 10.215 254 HA LYS 34 HA LYS 34 2.081 -1.254 11.658 255 1HB LYS 34 2HB LYS 34 1.753 1.661 12.347 256 2HB LYS 34 1HB LYS 34 1.859 0.299 13.449 257 1HG LYS 34 2HG LYS 34 4.229 0.292 11.931 258 2HG LYS 34 1HG LYS 34 3.941 1.959 12.431 259 1HD LYS 34 2HD LYS 34 3.739 1.253 14.748 260 2HD LYS 34 1HD LYS 34 3.957 -0.432 14.270 261 1HE LYS 34 2HE LYS 34 6.195 -0.172 13.856 262 2HE LYS 34 1HE LYS 34 6.036 1.545 13.484 263 1HZ LYS 34 2HZ LYS 34 5.316 1.339 16.113 264 2HZ LYS 34 1HZ LYS 34 6.629 0.282 15.972 265 3HZ LYS 34 3HZ LYS 34 6.797 1.905 15.524 266 H GLN 35 H GLN 35 0.552 1.445 9.971 267 HA GLN 35 HA GLN 35 -2.060 1.007 10.962 268 1HB GLN 35 2HB GLN 35 -1.043 2.357 8.460 269 2HB GLN 35 1HB GLN 35 -2.736 2.334 8.923 270 1HG GLN 35 2HG GLN 35 -2.123 3.450 11.046 271 2HG GLN 35 1HG GLN 35 -0.467 3.570 10.457 272 1HE2 GLN 35 1HE2 GLN 35 -1.491 5.866 11.110 273 2HE2 GLN 35 2HE2 GLN 35 -1.986 6.791 9.738 274 H LEU 36 H LEU 36 -0.562 0.166 7.841 275 HA LEU 36 HA LEU 36 -2.691 -1.347 6.842 276 1HB LEU 36 2HB LEU 36 -0.073 -0.704 6.038 277 2HB LEU 36 1HB LEU 36 -0.148 -2.453 6.044 278 HG LEU 36 HG LEU 36 -0.678 -1.405 3.842 279 1HD1 LEU 36 2HD1 LEU 36 -1.895 -3.548 5.130 280 2HD1 LEU 36 1HD1 LEU 36 -3.217 -2.669 4.365 281 3HD1 LEU 36 3HD1 LEU 36 -1.857 -3.234 3.396 282 1HD2 LEU 36 1HD2 LEU 36 -2.844 -0.186 5.487 283 2HD2 LEU 36 3HD2 LEU 36 -1.853 0.530 4.215 284 3HD2 LEU 36 2HD2 LEU 36 -3.159 -0.579 3.798 285 H GLU 37 H GLU 37 -0.447 -1.967 9.328 286 HA GLU 37 HA GLU 37 -0.559 -4.825 9.274 287 1HB GLU 37 2HB GLU 37 1.309 -3.544 10.301 288 2HB GLU 37 1HB GLU 37 0.203 -2.982 11.544 289 1HG GLU 37 2HG GLU 37 -0.189 -5.584 11.842 290 2HG GLU 37 1HG GLU 37 1.437 -5.646 11.165 291 H ALA 38 H ALA 38 -1.793 -2.469 11.626 292 HA ALA 38 HA ALA 38 -3.444 -4.202 13.022 293 1HB ALA 38 3HB ALA 38 -2.752 -1.675 13.415 294 2HB ALA 38 1HB ALA 38 -4.192 -2.371 14.159 295 3HB ALA 38 2HB ALA 38 -4.339 -1.390 12.701 296 H ALA 39 H ALA 39 -3.775 -3.020 9.872 297 HA ALA 39 HA ALA 39 -6.673 -3.411 9.799 298 1HB ALA 39 2HB ALA 39 -4.812 -2.590 7.571 299 2HB ALA 39 3HB ALA 39 -5.654 -1.463 8.637 300 3HB ALA 39 1HB ALA 39 -6.574 -2.515 7.561 301 H ARG 40 H ARG 40 -3.684 -4.871 8.903 302 HA ARG 40 HA ARG 40 -4.721 -6.799 7.085 303 1HB ARG 40 2HB ARG 40 -2.412 -6.249 6.922 304 2HB ARG 40 1HB ARG 40 -2.151 -6.543 8.636 305 1HG ARG 40 2HG ARG 40 -2.682 -8.958 8.201 306 2HG ARG 40 1HG ARG 40 -2.667 -8.578 6.479 307 1HD ARG 40 2HD ARG 40 -0.521 -9.454 7.090 308 2HD ARG 40 1HD ARG 40 -0.350 -7.738 6.733 309 HE ARG 40 HE ARG 40 0.082 -7.327 8.983 310 1HH1 ARG 40 1HH1 ARG 40 -0.691 -10.679 8.434 311 2HH1 ARG 40 2HH1 ARG 40 -0.117 -11.198 9.983 312 1HH2 ARG 40 1HH2 ARG 40 0.839 -8.002 11.027 313 2HH2 ARG 40 2HH2 ARG 40 0.751 -9.677 11.458 314 H LYS 41 H LYS 41 -4.098 -6.673 10.549 315 HA LYS 41 HA LYS 41 -4.466 -9.404 11.055 316 1HB LYS 41 2HB LYS 41 -5.159 -7.402 13.127 317 2HB LYS 41 1HB LYS 41 -4.197 -8.869 13.263 318 1HG LYS 41 2HG LYS 41 -2.303 -7.845 12.401 319 2HG LYS 41 1HG LYS 41 -3.231 -6.541 11.680 320 1HD LYS 41 2HD LYS 41 -2.398 -5.426 13.491 321 2HD LYS 41 1HD LYS 41 -3.864 -6.090 14.218 322 1HE LYS 41 2HE LYS 41 -2.081 -8.123 14.581 323 2HE LYS 41 1HE LYS 41 -1.050 -6.703 14.749 324 1HZ LYS 41 3HZ LYS 41 -3.554 -7.197 16.266 325 2HZ LYS 41 2HZ LYS 41 -1.986 -7.383 16.871 326 3HZ LYS 41 1HZ LYS 41 -2.546 -5.848 16.434 327 H ILE 42 H ILE 42 -6.688 -6.896 10.361 328 HA ILE 42 HA ILE 42 -8.938 -8.183 11.658 329 HB ILE 42 HB ILE 42 -10.235 -6.340 10.962 330 1HG1 ILE 42 2HG1 ILE 42 -8.289 -4.968 9.274 331 2HG1 ILE 42 1HG1 ILE 42 -8.784 -6.518 8.609 332 1HG2 ILE 42 2HG2 ILE 42 -7.415 -5.525 11.614 333 2HG2 ILE 42 1HG2 ILE 42 -8.731 -4.355 11.489 334 3HG2 ILE 42 3HG2 ILE 42 -8.804 -5.639 12.696 335 1HD1 ILE 42 3HD1 ILE 42 -11.109 -5.170 9.508 336 2HD1 ILE 42 2HD1 ILE 42 -10.154 -4.049 8.536 337 3HD1 ILE 42 1HD1 ILE 42 -10.647 -5.603 7.862 338 H GLY 43 H GLY 43 -7.303 -8.352 8.678 339 1HA GLY 43 1HA GLY 43 -9.635 -9.622 7.389 340 2HA GLY 43 2HA GLY 43 -8.064 -10.414 7.416 341 H PHE 44 H PHE 44 -7.006 -7.473 7.157 342 HA PHE 44 HA PHE 44 -7.715 -6.849 4.425 343 1HB PHE 44 2HB PHE 44 -7.149 -5.162 6.284 344 2HB PHE 44 1HB PHE 44 -5.467 -5.582 5.978 345 HD1 PHE 44 HD1 PHE 44 -7.237 -5.870 2.975 346 HD2 PHE 44 HD2 PHE 44 -5.574 -2.973 5.613 347 HE1 PHE 44 HE1 PHE 44 -7.165 -4.240 1.135 348 HE2 PHE 44 HE2 PHE 44 -5.501 -1.337 3.777 349 HZ PHE 44 HZ PHE 44 -6.295 -1.971 1.534 350 H HIS 45 H HIS 45 -6.833 -7.814 2.740 351 HA HIS 45 HA HIS 45 -3.986 -8.509 2.814 352 1HB HIS 45 2HB HIS 45 -5.216 -10.563 3.350 353 2HB HIS 45 1HB HIS 45 -6.191 -10.371 1.900 354 HD1 HIS 45 HD1 HIS 45 -4.383 -12.867 2.504 355 HD2 HIS 45 HD2 HIS 45 -3.350 -9.672 0.058 356 HE1 HIS 45 HE1 HIS 45 -2.635 -13.758 0.933 357 HE2 HIS 45 HE2 HIS 45 -1.952 -11.781 -0.467 358 H VAL 46 H VAL 46 -2.937 -7.856 1.047 359 HA VAL 46 HA VAL 46 -4.318 -7.691 -1.509 360 HB VAL 46 HB VAL 46 -2.757 -5.264 -1.061 361 1HG1 VAL 46 1HG1 VAL 46 -5.026 -6.200 -2.563 362 2HG1 VAL 46 3HG1 VAL 46 -5.387 -4.660 -1.781 363 3HG1 VAL 46 2HG1 VAL 46 -3.991 -4.800 -2.849 364 1HG2 VAL 46 3HG2 VAL 46 -3.711 -5.500 1.197 365 2HG2 VAL 46 2HG2 VAL 46 -4.370 -4.108 0.334 366 3HG2 VAL 46 1HG2 VAL 46 -5.325 -5.585 0.490 367 H CYS 47 H CYS 47 -2.985 -9.063 -2.558 368 HA CYS 47 HA CYS 47 -0.152 -9.091 -2.172 369 1HB CYS 47 2HB CYS 47 -1.285 -10.311 -4.621 370 2HB CYS 47 1HB CYS 47 -0.164 -10.983 -3.442 371 H ALA 48 H ALA 48 -0.115 -6.658 -2.600 372 HA ALA 48 HA ALA 48 1.054 -6.229 -5.175 373 1HB ALA 48 1HB ALA 48 -1.527 -4.792 -4.569 374 2HB ALA 48 3HB ALA 48 -0.477 -4.501 -5.957 375 3HB ALA 48 2HB ALA 48 -1.307 -6.049 -5.787 376 H ALA 49 H ALA 49 2.724 -4.947 -4.791 377 HA ALA 49 HA ALA 49 3.423 -3.747 -2.463 378 1HB ALA 49 2HB ALA 49 5.227 -3.244 -3.651 379 2HB ALA 49 1HB ALA 49 4.368 -3.703 -5.121 380 3HB ALA 49 3HB ALA 49 4.323 -2.032 -4.560 381 H GLY 50 H GLY 50 2.332 -2.355 -1.233 382 1HA GLY 50 2HA GLY 50 0.404 -0.881 -1.010 383 2HA GLY 50 1HA GLY 50 0.815 -0.210 -2.579 384 H TRP 51 H TRP 51 1.590 1.759 -2.451 385 HA TRP 51 HA TRP 51 3.873 2.496 -1.050 386 1HB TRP 51 2HB TRP 51 1.643 4.063 -2.306 387 2HB TRP 51 1HB TRP 51 2.943 4.884 -1.445 388 HD1 TRP 51 HD1 TRP 51 2.099 3.403 -4.755 389 HE1 TRP 51 HE1 TRP 51 4.170 3.465 -6.300 390 HE3 TRP 51 HE3 TRP 51 5.655 4.602 -1.290 391 HZ2 TRP 51 HZ2 TRP 51 6.947 3.956 -6.063 392 HZ3 TRP 51 HZ3 TRP 51 7.989 4.851 -2.018 393 HH2 TRP 51 HH2 TRP 51 8.623 4.532 -4.357 394 H MET 52 H MET 52 4.043 4.239 0.580 395 HA MET 52 HA MET 52 1.882 4.611 2.434 396 1HB MET 52 2HB MET 52 3.645 3.729 4.284 397 2HB MET 52 1HB MET 52 2.351 2.741 3.620 398 1HG MET 52 2HG MET 52 3.904 1.802 1.988 399 2HG MET 52 1HG MET 52 5.202 2.790 2.659 400 1HE MET 52 2HE MET 52 2.693 0.207 2.963 401 2HE MET 52 1HE MET 52 3.745 -1.127 3.439 402 3HE MET 52 3HE MET 52 2.729 -0.333 4.642 403 H ALA 53 H ALA 53 2.596 5.984 4.307 404 HA ALA 53 HA ALA 53 3.779 8.314 3.488 405 1HB ALA 53 2HB ALA 53 4.349 8.432 6.112 406 2HB ALA 53 3HB ALA 53 3.184 7.107 6.111 407 3HB ALA 53 1HB ALA 53 2.731 8.679 5.452 408 H LYS 54 H LYS 54 5.802 9.335 4.062 409 HA LYS 54 HA LYS 54 8.063 9.457 4.387 410 1HB LYS 54 2HB LYS 54 7.405 7.026 5.687 411 2HB LYS 54 1HB LYS 54 8.832 6.721 4.708 412 1HG LYS 54 2HG LYS 54 9.952 7.495 6.475 413 2HG LYS 54 1HG LYS 54 9.483 9.085 5.877 414 1HD LYS 54 2HD LYS 54 7.388 8.835 7.293 415 2HD LYS 54 1HD LYS 54 8.191 7.457 8.051 416 1HE LYS 54 2HE LYS 54 9.265 8.845 9.407 417 2HE LYS 54 1HE LYS 54 10.044 9.589 8.010 418 1HZ LYS 54 3HZ LYS 54 7.318 10.403 8.751 419 2HZ LYS 54 2HZ LYS 54 8.633 11.024 9.614 420 3HZ LYS 54 1HZ LYS 54 8.519 11.283 7.947 421 H GLY 55 H GLY 55 6.621 7.098 2.290 422 1HA GLY 55 1HA GLY 55 8.868 7.492 0.418 423 2HA GLY 55 2HA GLY 55 7.201 7.202 -0.065 424 H ARG 56 H ARG 56 7.079 5.170 2.205 425 HA ARG 56 HA ARG 56 8.769 3.049 1.127 426 1HB ARG 56 2HB ARG 56 7.313 3.518 3.664 427 2HB ARG 56 1HB ARG 56 7.415 1.847 3.127 428 1HG ARG 56 2HG ARG 56 9.630 1.709 3.530 429 2HG ARG 56 1HG ARG 56 9.930 3.385 3.068 430 1HD ARG 56 2HD ARG 56 9.651 4.146 5.167 431 2HD ARG 56 1HD ARG 56 8.317 3.043 5.497 432 HE ARG 56 HE ARG 56 11.168 2.483 5.850 433 1HH1 ARG 56 2HH1 ARG 56 7.847 1.475 6.132 434 2HH1 ARG 56 1HH1 ARG 56 8.202 0.154 7.194 435 1HH2 ARG 56 2HH2 ARG 56 11.649 0.745 7.246 436 2HH2 ARG 56 1HH2 ARG 56 10.365 -0.262 7.827 437 H VAL 57 H VAL 57 7.823 0.918 0.736 438 HA VAL 57 HA VAL 57 5.002 0.721 0.221 439 HB VAL 57 HB VAL 57 5.397 1.741 -1.822 440 1HG1 VAL 57 1HG1 VAL 57 8.076 0.533 -1.593 441 2HG1 VAL 57 3HG1 VAL 57 7.447 0.761 -3.225 442 3HG1 VAL 57 2HG1 VAL 57 7.593 2.142 -2.136 443 1HG2 VAL 57 1HG2 VAL 57 5.381 -1.210 -1.957 444 2HG2 VAL 57 3HG2 VAL 57 4.237 -0.036 -2.611 445 3HG2 VAL 57 2HG2 VAL 57 5.752 -0.356 -3.456 446 H GLY 58 H GLY 58 4.645 -1.187 1.155 447 1HA GLY 58 2HA GLY 58 5.641 -3.233 2.084 448 2HA GLY 58 1HA GLY 58 6.524 -3.391 0.573 449 H TYR 59 H TYR 59 5.104 -5.518 1.459 450 HA TYR 59 HA TYR 59 2.619 -5.490 -0.110 451 1HB TYR 59 2HB TYR 59 4.093 -8.023 -0.247 452 2HB TYR 59 1HB TYR 59 3.273 -7.124 -1.521 453 HD1 TYR 59 HD1 TYR 59 4.535 -4.857 -2.196 454 HD2 TYR 59 HD2 TYR 59 6.378 -8.257 -0.424 455 HE1 TYR 59 HE1 TYR 59 6.707 -4.143 -3.099 456 HE2 TYR 59 HE2 TYR 59 8.555 -7.552 -1.322 457 HH TYR 59 HH TYR 59 9.638 -5.425 -2.071 458 HA PRO 60 HA PRO 60 1.751 -7.238 4.059 459 1HB PRO 60 2HB PRO 60 -0.835 -6.346 4.075 460 2HB PRO 60 1HB PRO 60 0.535 -5.389 4.638 461 1HG PRO 60 2HG PRO 60 -0.916 -5.274 2.035 462 2HG PRO 60 1HG PRO 60 -0.271 -3.951 3.020 463 1HD PRO 60 2HD PRO 60 0.979 -4.880 0.800 464 2HD PRO 60 1HD PRO 60 1.855 -4.196 2.183 465 H ILE 61 H ILE 61 1.400 -9.370 3.998 466 HA ILE 61 HA ILE 61 -0.922 -10.362 2.490 467 HB ILE 61 HB ILE 61 1.752 -11.764 2.579 468 1HG1 ILE 61 2HG1 ILE 61 1.812 -9.705 1.202 469 2HG1 ILE 61 1HG1 ILE 61 1.996 -11.165 0.235 470 1HG2 ILE 61 2HG2 ILE 61 -0.474 -13.063 2.388 471 2HG2 ILE 61 1HG2 ILE 61 -0.519 -12.418 0.746 472 3HG2 ILE 61 3HG2 ILE 61 0.831 -13.431 1.260 473 1HD1 ILE 61 1HD1 ILE 61 -0.680 -10.809 0.115 474 2HD1 ILE 61 3HD1 ILE 61 -0.115 -9.141 0.210 475 3HD1 ILE 61 2HD1 ILE 61 0.469 -10.198 -1.075 476 H VAL 62 H VAL 62 -2.271 -11.362 3.829 477 HA VAL 62 HA VAL 62 -1.249 -12.466 6.344 478 HB VAL 62 HB VAL 62 -4.086 -12.711 6.161 479 1HG1 VAL 62 2HG1 VAL 62 -2.293 -10.913 7.787 480 2HG1 VAL 62 1HG1 VAL 62 -4.008 -11.178 8.100 481 3HG1 VAL 62 3HG1 VAL 62 -2.870 -12.519 8.235 482 1HG2 VAL 62 2HG2 VAL 62 -3.801 -10.935 4.401 483 2HG2 VAL 62 1HG2 VAL 62 -4.824 -10.490 5.768 484 3HG2 VAL 62 3HG2 VAL 62 -3.169 -9.887 5.671 485 H LYS 63 H LYS 63 -2.587 -13.402 3.302 486 HA LYS 63 HA LYS 63 -2.616 -16.210 4.194 487 1HB LYS 63 2HB LYS 63 -4.832 -14.884 3.412 488 2HB LYS 63 1HB LYS 63 -4.267 -15.460 1.850 489 1HG LYS 63 2HG LYS 63 -5.008 -17.508 2.254 490 2HG LYS 63 1HG LYS 63 -4.180 -17.568 3.812 491 1HD LYS 63 2HD LYS 63 -6.513 -15.831 3.852 492 2HD LYS 63 1HD LYS 63 -6.914 -17.492 3.414 493 1HE LYS 63 2HE LYS 63 -6.239 -18.336 5.439 494 2HE LYS 63 1HE LYS 63 -5.108 -17.017 5.733 495 1HZ LYS 63 1HZ LYS 63 -7.677 -15.932 5.631 496 2HZ LYS 63 3HZ LYS 63 -7.744 -17.283 6.646 497 3HZ LYS 63 2HZ LYS 63 -6.643 -16.041 6.965 498 HA PRO 64 HA PRO 64 0.950 -15.975 1.303 499 1HB PRO 64 2HB PRO 64 0.699 -18.860 2.055 500 2HB PRO 64 1HB PRO 64 2.148 -17.864 1.896 501 1HG PRO 64 2HG PRO 64 1.108 -18.444 4.294 502 2HG PRO 64 1HG PRO 64 1.858 -16.875 3.961 503 1HD PRO 64 1HD PRO 64 -0.993 -17.556 4.335 504 2HD PRO 64 2HD PRO 64 -0.163 -16.003 4.555 505 H GLY 65 H GLY 65 -0.131 -15.579 -0.622 506 1HA GLY 65 2HA GLY 65 -1.497 -16.063 -2.462 507 2HA GLY 65 1HA GLY 65 -1.774 -17.669 -1.805 508 HA PRO 66 HA PRO 66 1.277 -19.415 -4.448 509 1HB PRO 66 2HB PRO 66 -0.137 -19.947 -6.697 510 2HB PRO 66 1HB PRO 66 -0.347 -20.857 -5.197 511 1HG PRO 66 2HG PRO 66 -2.003 -18.624 -6.308 512 2HG PRO 66 1HG PRO 66 -2.530 -20.134 -5.543 513 1HD PRO 66 2HD PRO 66 -2.465 -17.761 -4.226 514 2HD PRO 66 1HD PRO 66 -2.198 -19.318 -3.415 515 H ASN 67 H ASN 67 -0.690 -17.806 -6.908 516 HA ASN 67 HA ASN 67 1.702 -16.642 -8.058 517 1HB ASN 67 2HB ASN 67 -0.794 -15.862 -9.327 518 2HB ASN 67 1HB ASN 67 0.580 -16.737 -9.999 519 1HD2 ASN 67 1HD2 ASN 67 -2.441 -17.041 -8.272 520 2HD2 ASN 67 2HD2 ASN 67 -2.690 -18.716 -8.614 521 H CYS 68 H CYS 68 -0.480 -15.709 -5.735 522 HA CYS 68 HA CYS 68 -1.076 -13.057 -6.312 523 1HB CYS 68 2HB CYS 68 -1.265 -14.773 -4.063 524 2HB CYS 68 1HB CYS 68 -0.475 -13.296 -3.520 525 H GLY 69 H GLY 69 1.925 -14.514 -5.375 526 1HA GLY 69 1HA GLY 69 3.206 -12.128 -4.465 527 2HA GLY 69 2HA GLY 69 3.551 -12.437 -6.162 528 H PHE 70 H PHE 70 3.092 -14.830 -3.605 529 HA PHE 70 HA PHE 70 5.166 -16.482 -4.307 530 1HB PHE 70 2HB PHE 70 6.312 -14.172 -3.428 531 2HB PHE 70 1HB PHE 70 6.247 -15.103 -1.935 532 HD1 PHE 70 HD1 PHE 70 7.321 -15.394 -5.487 533 HD2 PHE 70 HD2 PHE 70 7.937 -16.592 -1.450 534 HE1 PHE 70 HE1 PHE 70 9.351 -16.609 -6.161 535 HE2 PHE 70 HE2 PHE 70 9.968 -17.810 -2.117 536 HZ PHE 70 HZ PHE 70 10.678 -17.819 -4.476 537 H GLY 71 H GLY 71 4.089 -14.993 -1.247 538 1HA GLY 71 1HA GLY 71 3.445 -17.712 -0.285 539 2HA GLY 71 2HA GLY 71 2.351 -16.355 -0.035 540 H LYS 72 H LYS 72 4.213 -14.375 0.624 541 HA LYS 72 HA LYS 72 5.856 -15.321 2.799 542 1HB LYS 72 2HB LYS 72 5.245 -12.600 1.668 543 2HB LYS 72 1HB LYS 72 6.162 -12.792 3.157 544 1HG LYS 72 2HG LYS 72 7.349 -14.528 1.314 545 2HG LYS 72 1HG LYS 72 7.033 -13.031 0.434 546 1HD LYS 72 2HD LYS 72 8.118 -11.798 2.331 547 2HD LYS 72 1HD LYS 72 8.597 -13.365 2.987 548 1HE LYS 72 2HE LYS 72 9.266 -12.632 0.165 549 2HE LYS 72 1HE LYS 72 10.261 -12.047 1.498 550 1HZ LYS 72 3HZ LYS 72 10.177 -14.578 2.153 551 2HZ LYS 72 2HZ LYS 72 9.917 -14.772 0.492 552 3HZ LYS 72 1HZ LYS 72 11.313 -13.992 1.044 553 H THR 73 H THR 73 5.673 -13.806 4.875 554 HA THR 73 HA THR 73 2.855 -13.863 5.732 555 HB THR 73 HB THR 73 4.204 -14.142 8.072 556 HG1 THR 73 HG1 THR 73 5.614 -16.099 7.215 557 1HG2 THR 73 3HG2 THR 73 2.585 -15.766 6.354 558 2HG2 THR 73 2HG2 THR 73 3.809 -16.768 7.132 559 3HG2 THR 73 1HG2 THR 73 2.711 -15.796 8.113 560 H GLY 74 H GLY 74 2.070 -12.045 6.614 561 1HA GLY 74 2HA GLY 74 3.733 -10.157 8.002 562 2HA GLY 74 1HA GLY 74 2.018 -9.979 7.655 563 H ILE 75 H ILE 75 3.513 -7.766 7.439 564 HA ILE 75 HA ILE 75 3.286 -7.162 4.622 565 HB ILE 75 HB ILE 75 4.149 -5.364 6.891 566 1HG1 ILE 75 1HG1 ILE 75 1.460 -5.937 5.653 567 2HG1 ILE 75 2HG1 ILE 75 1.918 -6.036 7.349 568 1HG2 ILE 75 1HG2 ILE 75 4.221 -5.016 4.073 569 2HG2 ILE 75 3HG2 ILE 75 2.969 -3.959 4.730 570 3HG2 ILE 75 2HG2 ILE 75 4.620 -3.854 5.340 571 1HD1 ILE 75 1HD1 ILE 75 2.273 -3.533 7.247 572 2HD1 ILE 75 3HD1 ILE 75 1.442 -3.588 5.693 573 3HD1 ILE 75 2HD1 ILE 75 0.609 -4.110 7.157 574 H ILE 76 H ILE 76 4.884 -7.298 3.213 575 HA ILE 76 HA ILE 76 7.630 -7.549 4.183 576 HB ILE 76 HB ILE 76 6.721 -7.876 1.332 577 1HG1 ILE 76 2HG1 ILE 76 5.358 -9.445 2.434 578 2HG1 ILE 76 1HG1 ILE 76 6.768 -10.378 1.941 579 1HG2 ILE 76 2HG2 ILE 76 9.228 -7.888 2.553 580 2HG2 ILE 76 1HG2 ILE 76 8.856 -9.583 2.239 581 3HG2 ILE 76 3HG2 ILE 76 8.835 -8.417 0.916 582 1HD1 ILE 76 3HD1 ILE 76 7.684 -10.071 4.233 583 2HD1 ILE 76 2HD1 ILE 76 6.150 -9.323 4.685 584 3HD1 ILE 76 1HD1 ILE 76 6.190 -11.007 4.159 585 H ASP 77 H ASP 77 7.866 -5.308 4.723 586 HA ASP 77 HA ASP 77 8.080 -3.514 2.401 587 1HB ASP 77 2HB ASP 77 6.567 -2.952 4.427 588 2HB ASP 77 1HB ASP 77 8.074 -2.596 5.265 589 H TYR 78 H TYR 78 10.080 -3.306 1.660 590 HA TYR 78 HA TYR 78 12.372 -3.940 3.264 591 1HB TYR 78 2HB TYR 78 12.163 -2.816 0.464 592 2HB TYR 78 1HB TYR 78 13.637 -3.410 1.215 593 HD1 TYR 78 HD1 TYR 78 10.147 -4.611 0.611 594 HD2 TYR 78 HD2 TYR 78 14.299 -5.538 0.627 595 HE1 TYR 78 HE1 TYR 78 9.637 -6.875 -0.200 596 HE2 TYR 78 HE2 TYR 78 13.801 -7.805 -0.186 597 HH TYR 78 HH TYR 78 11.418 -8.751 -1.656 598 H GLY 79 H GLY 79 10.679 -1.064 2.297 599 1HA GLY 79 2HA GLY 79 12.731 0.548 3.690 600 2HA GLY 79 1HA GLY 79 11.003 0.890 3.751 601 H ILE 80 H ILE 80 11.947 3.055 3.061 602 HA ILE 80 HA ILE 80 11.220 3.650 0.469 603 HB ILE 80 HB ILE 80 13.303 5.226 1.936 604 1HG1 ILE 80 2HG1 ILE 80 10.337 5.235 2.492 605 2HG1 ILE 80 1HG1 ILE 80 11.546 4.479 3.515 606 1HG2 ILE 80 1HG2 ILE 80 11.646 5.643 -0.353 607 2HG2 ILE 80 3HG2 ILE 80 11.213 6.811 0.896 608 3HG2 ILE 80 2HG2 ILE 80 12.879 6.704 0.328 609 1HD1 ILE 80 1HD1 ILE 80 12.276 7.199 3.021 610 2HD1 ILE 80 3HD1 ILE 80 10.617 7.116 3.614 611 3HD1 ILE 80 2HD1 ILE 80 11.926 6.394 4.550 612 H ARG 81 H ARG 81 12.079 2.674 -1.235 613 HA ARG 81 HA ARG 81 14.948 2.213 -1.405 614 1HB ARG 81 2HB ARG 81 12.602 1.377 -3.094 615 2HB ARG 81 1HB ARG 81 14.258 1.155 -3.644 616 1HG ARG 81 2HG ARG 81 14.176 0.124 -1.042 617 2HG ARG 81 1HG ARG 81 12.708 -0.446 -1.841 618 1HD ARG 81 2HD ARG 81 14.482 -0.887 -3.802 619 2HD ARG 81 1HD ARG 81 15.545 -1.062 -2.407 620 HE ARG 81 HE ARG 81 13.326 -2.580 -1.835 621 1HH1 ARG 81 1HH1 ARG 81 15.734 -2.491 -4.350 622 2HH1 ARG 81 2HH1 ARG 81 15.655 -4.193 -4.665 623 1HH2 ARG 81 2HH2 ARG 81 13.215 -4.821 -2.241 624 2HH2 ARG 81 1HH2 ARG 81 14.223 -5.517 -3.465 625 H LEU 82 H LEU 82 13.580 4.923 -1.601 626 HA LEU 82 HA LEU 82 13.713 6.842 -2.830 627 1HB LEU 82 2HB LEU 82 16.298 5.501 -2.957 628 2HB LEU 82 1HB LEU 82 16.033 6.594 -4.297 629 HG LEU 82 HG LEU 82 17.205 7.469 -2.158 630 1HD1 LEU 82 1HD1 LEU 82 14.925 8.940 -3.470 631 2HD1 LEU 82 3HD1 LEU 82 16.183 9.691 -2.488 632 3HD1 LEU 82 2HD1 LEU 82 16.604 8.896 -4.006 633 1HD2 LEU 82 1HD2 LEU 82 14.313 7.501 -1.318 634 2HD2 LEU 82 3HD2 LEU 82 15.657 6.698 -0.506 635 3HD2 LEU 82 2HD2 LEU 82 15.580 8.458 -0.550 636 H ASN 83 H ASN 83 12.143 4.866 -4.042 637 HA ASN 83 HA ASN 83 12.624 5.458 -6.886 638 1HB ASN 83 2HB ASN 83 12.512 2.904 -5.638 639 2HB ASN 83 1HB ASN 83 11.067 3.074 -6.630 640 1HD2 ASN 83 1HD2 ASN 83 11.726 4.322 -8.799 641 2HD2 ASN 83 2HD2 ASN 83 13.013 3.549 -9.653 642 H ARG 84 H ARG 84 11.172 7.254 -5.617 643 HA ARG 84 HA ARG 84 8.413 6.676 -5.356 644 1HB ARG 84 2HB ARG 84 9.764 9.338 -5.830 645 2HB ARG 84 1HB ARG 84 8.126 9.100 -5.247 646 1HG ARG 84 2HG ARG 84 8.906 8.166 -3.198 647 2HG ARG 84 1HG ARG 84 10.567 8.129 -3.791 648 1HD ARG 84 2HD ARG 84 9.559 10.784 -4.036 649 2HD ARG 84 1HD ARG 84 9.244 10.207 -2.401 650 HE ARG 84 HE ARG 84 11.929 9.731 -3.336 651 1HH1 ARG 84 2HH1 ARG 84 9.781 11.950 -1.727 652 2HH1 ARG 84 1HH1 ARG 84 11.053 12.781 -0.895 653 1HH2 ARG 84 2HH2 ARG 84 13.613 10.820 -2.244 654 2HH2 ARG 84 1HH2 ARG 84 13.229 12.139 -1.190 655 H SER 85 H SER 85 10.071 6.296 -8.008 656 HA SER 85 HA SER 85 8.036 7.486 -9.775 657 1HB SER 85 2HB SER 85 10.928 6.808 -10.363 658 2HB SER 85 1HB SER 85 9.764 7.353 -11.571 659 HG SER 85 HG SER 85 9.909 9.329 -10.832 660 H GLU 86 H GLU 86 8.592 4.739 -8.297 661 HA GLU 86 HA GLU 86 8.629 2.839 -10.437 662 1HB GLU 86 2HB GLU 86 8.392 2.757 -7.483 663 2HB GLU 86 1HB GLU 86 7.689 1.403 -8.358 664 1HG GLU 86 2HG GLU 86 10.465 2.283 -8.994 665 2HG GLU 86 1HG GLU 86 10.162 1.316 -7.551 666 H ARG 87 H ARG 87 6.676 1.028 -9.899 667 HA ARG 87 HA ARG 87 4.148 2.499 -10.100 668 1HB ARG 87 2HB ARG 87 4.540 0.184 -11.926 669 2HB ARG 87 1HB ARG 87 3.513 1.597 -12.106 670 1HG ARG 87 2HG ARG 87 5.023 2.371 -13.535 671 2HG ARG 87 1HG ARG 87 6.083 2.626 -12.148 672 1HD ARG 87 2HD ARG 87 7.135 1.336 -13.994 673 2HD ARG 87 1HD ARG 87 7.105 0.482 -12.451 674 HE ARG 87 HE ARG 87 4.833 -0.190 -13.997 675 1HH1 ARG 87 2HH1 ARG 87 8.265 -0.741 -13.788 676 2HH1 ARG 87 1HH1 ARG 87 8.192 -2.300 -14.541 677 1HH2 ARG 87 1HH2 ARG 87 4.724 -2.240 -14.990 678 2HH2 ARG 87 2HH2 ARG 87 6.178 -3.151 -15.224 679 H TRP 88 H TRP 88 2.852 1.776 -8.609 680 HA TRP 88 HA TRP 88 2.350 -1.052 -8.293 681 1HB TRP 88 2HB TRP 88 2.945 0.403 -5.745 682 2HB TRP 88 1HB TRP 88 2.980 -1.325 -6.076 683 HD1 TRP 88 HD1 TRP 88 5.171 1.729 -5.986 684 HE1 TRP 88 HE1 TRP 88 7.600 1.053 -6.511 685 HE3 TRP 88 HE3 TRP 88 4.358 -3.072 -7.538 686 HZ2 TRP 88 HZ2 TRP 88 8.987 -1.219 -7.457 687 HZ3 TRP 88 HZ3 TRP 88 6.287 -4.431 -8.233 688 HH2 TRP 88 HH2 TRP 88 8.554 -3.522 -8.192 689 H ASP 89 H ASP 89 1.038 -0.712 -5.747 690 HA ASP 89 HA ASP 89 -1.323 0.752 -6.655 691 1HB ASP 89 2HB ASP 89 -1.486 -0.880 -4.201 692 2HB ASP 89 1HB ASP 89 -2.577 -0.794 -5.577 693 H ALA 90 H ALA 90 -2.609 1.327 -4.355 694 HA ALA 90 HA ALA 90 -0.746 2.804 -2.651 695 1HB ALA 90 2HB ALA 90 -1.304 4.424 -4.323 696 2HB ALA 90 3HB ALA 90 -2.159 4.847 -2.839 697 3HB ALA 90 1HB ALA 90 -3.025 4.068 -4.164 698 H TYR 91 H TYR 91 -1.326 2.741 -0.551 699 HA TYR 91 HA TYR 91 -3.917 1.566 0.123 700 1HB TYR 91 2HB TYR 91 -1.320 1.896 1.603 701 2HB TYR 91 1HB TYR 91 -2.808 1.537 2.466 702 HD1 TYR 91 HD1 TYR 91 -4.164 -0.535 1.524 703 HD2 TYR 91 HD2 TYR 91 -0.015 0.147 0.875 704 HE1 TYR 91 HE1 TYR 91 -3.852 -2.923 1.041 705 HE2 TYR 91 HE2 TYR 91 0.307 -2.240 0.389 706 HH TYR 91 HH TYR 91 -1.655 -4.210 -0.532 707 H CYS 92 H CYS 92 -5.520 2.946 0.515 708 HA CYS 92 HA CYS 92 -4.930 5.660 1.361 709 1HB CYS 92 2HB CYS 92 -7.363 4.243 0.332 710 2HB CYS 92 1HB CYS 92 -7.531 5.788 1.154 711 H TYR 93 H TYR 93 -5.922 6.659 3.170 712 HA TYR 93 HA TYR 93 -7.051 4.887 5.200 713 1HB TYR 93 2HB TYR 93 -4.591 5.034 5.607 714 2HB TYR 93 1HB TYR 93 -4.765 6.778 5.793 715 HD1 TYR 93 HD1 TYR 93 -6.508 7.547 7.596 716 HD2 TYR 93 HD2 TYR 93 -4.729 3.684 7.480 717 HE1 TYR 93 HE1 TYR 93 -7.042 7.241 9.976 718 HE2 TYR 93 HE2 TYR 93 -5.260 3.364 9.863 719 HH TYR 93 HH TYR 93 -6.467 4.170 11.606 720 H ASN 94 H ASN 94 -8.668 5.794 6.311 721 HA ASN 94 HA ASN 94 -8.868 8.666 6.603 722 1HB ASN 94 2HB ASN 94 -10.424 7.171 4.620 723 2HB ASN 94 1HB ASN 94 -11.416 8.133 5.711 724 1HD2 ASN 94 2HD2 ASN 94 -11.349 8.696 3.053 725 2HD2 ASN 94 1HD2 ASN 94 -10.528 10.192 2.785 726 HA PRO 95 HA PRO 95 -10.507 7.559 10.541 727 1HB PRO 95 2HB PRO 95 -12.359 9.850 10.078 728 2HB PRO 95 1HB PRO 95 -11.311 9.510 11.461 729 1HG PRO 95 2HG PRO 95 -10.652 11.375 9.671 730 2HG PRO 95 1HG PRO 95 -9.421 10.326 10.398 731 1HD PRO 95 1HD PRO 95 -10.609 10.248 7.667 732 2HD PRO 95 2HD PRO 95 -8.964 9.844 8.197 733 H HIS 96 H HIS 96 -12.678 8.296 7.868 734 HA HIS 96 HA HIS 96 -14.591 6.329 8.943 735 1HB HIS 96 2HB HIS 96 -15.019 8.968 7.608 736 2HB HIS 96 1HB HIS 96 -16.199 7.688 7.335 737 HD1 HIS 96 HD1 HIS 96 -18.061 7.698 8.949 738 HD2 HIS 96 HD2 HIS 96 -14.605 9.327 10.582 739 HE1 HIS 96 HE1 HIS 96 -18.700 8.445 11.263 740 HE2 HIS 96 HE2 HIS 96 -16.614 9.504 12.200 741 H ALA 97 H ALA 97 -12.928 7.586 6.126 742 HA ALA 97 HA ALA 97 -12.914 6.864 3.924 743 1HB ALA 97 3HB ALA 97 -12.161 4.286 4.095 744 2HB ALA 97 1HB ALA 97 -11.868 4.806 5.755 745 3HB ALA 97 2HB ALA 97 -11.082 5.644 4.416 746 H LYS 98 H LYS 98 -15.472 7.052 4.235 747 HA LYS 98 HA LYS 98 -16.718 4.448 3.746 748 1HB LYS 98 2HB LYS 98 -17.593 6.326 5.376 749 2HB LYS 98 1HB LYS 98 -18.276 6.994 3.900 750 1HG LYS 98 2HG LYS 98 -19.897 5.466 3.825 751 2HG LYS 98 1HG LYS 98 -18.796 4.145 4.222 752 1HD LYS 98 2HD LYS 98 -19.185 4.308 6.458 753 2HD LYS 98 1HD LYS 98 -19.456 6.050 6.393 754 1HE LYS 98 2HE LYS 98 -21.401 4.077 5.230 755 2HE LYS 98 1HE LYS 98 -21.470 4.583 6.919 756 1HZ LYS 98 3HZ LYS 98 -21.262 6.849 5.252 757 2HZ LYS 98 2HZ LYS 98 -22.546 5.884 4.720 758 3HZ LYS 98 1HZ LYS 98 -22.505 6.429 6.321 No H/Q in entry = 758 Start of MODEL 17 1 H1 GLY 1 2H GLY 1 -9.496 1.911 9.134 2 H2 GLY 1 1H GLY 1 -9.653 3.449 9.819 3 H3 GLY 1 3H GLY 1 -10.942 2.355 9.891 4 1HA GLY 1 1HA GLY 1 -10.933 4.259 8.132 5 2HA GLY 1 2HA GLY 1 -11.558 2.667 7.737 6 H VAL 2 H VAL 2 -9.300 1.203 7.385 7 HA VAL 2 HA VAL 2 -7.755 2.626 5.327 8 HB VAL 2 HB VAL 2 -6.963 -0.106 6.171 9 1HG1 VAL 2 1HG1 VAL 2 -5.641 2.414 5.275 10 2HG1 VAL 2 3HG1 VAL 2 -4.707 1.203 6.152 11 3HG1 VAL 2 2HG1 VAL 2 -5.495 0.777 4.632 12 1HG2 VAL 2 1HG2 VAL 2 -7.282 2.091 8.051 13 2HG2 VAL 2 3HG2 VAL 2 -6.991 0.377 8.346 14 3HG2 VAL 2 2HG2 VAL 2 -5.638 1.454 8.002 15 H TYR 3 H TYR 3 -7.749 1.977 3.234 16 HA TYR 3 HA TYR 3 -9.013 -0.561 2.538 17 1HB TYR 3 2HB TYR 3 -10.174 0.791 0.605 18 2HB TYR 3 1HB TYR 3 -10.930 0.647 2.184 19 HD1 TYR 3 HD1 TYR 3 -9.997 2.612 3.875 20 HD2 TYR 3 HD2 TYR 3 -10.330 2.862 -0.358 21 HE1 TYR 3 HE1 TYR 3 -10.108 5.063 4.034 22 HE2 TYR 3 HE2 TYR 3 -10.440 5.313 -0.212 23 HH TYR 3 HH TYR 3 -10.971 7.042 1.363 24 H HIS 4 H HIS 4 -8.487 -1.365 0.498 25 HA HIS 4 HA HIS 4 -5.932 -0.387 -0.504 26 1HB HIS 4 2HB HIS 4 -6.238 -2.799 -0.007 27 2HB HIS 4 1HB HIS 4 -7.475 -2.880 -1.256 28 HD1 HIS 4 HD1 HIS 4 -6.515 -4.067 -3.193 29 HD2 HIS 4 HD2 HIS 4 -3.771 -1.465 -1.469 30 HE1 HIS 4 HE1 HIS 4 -4.461 -4.202 -4.638 31 HE2 HIS 4 HE2 HIS 4 -2.830 -2.583 -3.604 32 H ARG 5 H ARG 5 -5.550 0.229 -2.631 33 HA ARG 5 HA ARG 5 -7.731 0.266 -4.537 34 1HB ARG 5 2HB ARG 5 -6.751 2.705 -3.133 35 2HB ARG 5 1HB ARG 5 -7.154 2.841 -4.838 36 1HG ARG 5 2HG ARG 5 -9.076 1.654 -2.869 37 2HG ARG 5 1HG ARG 5 -8.965 3.396 -3.126 38 1HD ARG 5 2HD ARG 5 -9.197 1.684 -5.532 39 2HD ARG 5 1HD ARG 5 -10.627 1.834 -4.511 40 HE ARG 5 HE ARG 5 -9.561 4.389 -5.007 41 1HH1 ARG 5 1HH1 ARG 5 -11.233 1.802 -6.631 42 2HH1 ARG 5 2HH1 ARG 5 -12.000 2.845 -7.781 43 1HH2 ARG 5 1HH2 ARG 5 -10.567 5.773 -6.517 44 2HH2 ARG 5 2HH2 ARG 5 -11.621 5.102 -7.716 45 H GLU 6 H GLU 6 -7.070 0.712 -6.674 46 HA GLU 6 HA GLU 6 -4.150 0.613 -7.063 47 1HB GLU 6 2HB GLU 6 -4.487 -0.669 -9.043 48 2HB GLU 6 1HB GLU 6 -5.467 -1.410 -7.787 49 1HG GLU 6 2HG GLU 6 -6.580 0.551 -9.767 50 2HG GLU 6 1HG GLU 6 -6.528 -1.186 -10.064 51 H ALA 7 H ALA 7 -3.990 1.134 -9.726 52 HA ALA 7 HA ALA 7 -4.479 3.983 -9.772 53 1HB ALA 7 1HB ALA 7 -2.749 4.079 -11.181 54 2HB ALA 7 3HB ALA 7 -2.492 2.380 -10.784 55 3HB ALA 7 2HB ALA 7 -3.414 2.820 -12.222 56 H ARG 8 H ARG 8 -5.615 5.098 -11.412 57 HA ARG 8 HA ARG 8 -8.125 4.113 -12.052 58 1HB ARG 8 2HB ARG 8 -6.505 6.290 -13.378 59 2HB ARG 8 1HB ARG 8 -8.200 5.983 -13.734 60 1HG ARG 8 2HG ARG 8 -7.766 6.241 -10.894 61 2HG ARG 8 1HG ARG 8 -7.168 7.653 -11.767 62 1HD ARG 8 2HD ARG 8 -9.325 7.915 -12.860 63 2HD ARG 8 1HD ARG 8 -9.929 6.471 -12.048 64 HE ARG 8 HE ARG 8 -9.464 9.089 -10.846 65 1HH1 ARG 8 1HH1 ARG 8 -10.357 5.745 -10.452 66 2HH1 ARG 8 2HH1 ARG 8 -11.096 5.992 -8.903 67 1HH2 ARG 8 1HH2 ARG 8 -10.433 9.423 -8.809 68 2HH2 ARG 8 2HH2 ARG 8 -11.139 8.082 -7.971 69 H SER 9 H SER 9 -5.096 3.685 -13.675 70 HA SER 9 HA SER 9 -6.362 2.647 -16.082 71 1HB SER 9 2HB SER 9 -3.603 3.447 -15.314 72 2HB SER 9 1HB SER 9 -3.765 2.199 -16.549 73 HG SER 9 HG SER 9 -3.791 4.108 -17.629 74 H GLY 10 H GLY 10 -4.148 1.502 -13.547 75 1HA GLY 10 2HA GLY 10 -3.989 -1.148 -14.413 76 2HA GLY 10 1HA GLY 10 -5.357 -1.020 -13.319 77 H LYS 11 H LYS 11 -3.745 -2.677 -12.323 78 HA LYS 11 HA LYS 11 -2.668 -1.474 -9.991 79 1HB LYS 11 2HB LYS 11 -3.629 -3.780 -10.104 80 2HB LYS 11 1HB LYS 11 -2.207 -4.283 -11.010 81 1HG LYS 11 2HG LYS 11 -0.779 -3.766 -9.129 82 2HG LYS 11 1HG LYS 11 -2.162 -3.150 -8.221 83 1HD LYS 11 2HD LYS 11 -2.276 -5.225 -7.376 84 2HD LYS 11 1HD LYS 11 -3.020 -5.644 -8.920 85 1HE LYS 11 2HE LYS 11 -0.092 -5.862 -8.233 86 2HE LYS 11 1HE LYS 11 -1.231 -7.201 -8.371 87 1HZ LYS 11 1HZ LYS 11 -1.500 -5.949 -10.745 88 2HZ LYS 11 3HZ LYS 11 0.150 -5.745 -10.436 89 3HZ LYS 11 2HZ LYS 11 -0.518 -7.298 -10.469 90 H TYR 12 H TYR 12 -0.424 -1.783 -9.233 91 HA TYR 12 HA TYR 12 1.783 -1.253 -9.443 92 1HB TYR 12 2HB TYR 12 1.366 -3.228 -11.677 93 2HB TYR 12 1HB TYR 12 2.951 -2.530 -11.358 94 HD1 TYR 12 HD1 TYR 12 1.189 -2.794 -8.323 95 HD2 TYR 12 HD2 TYR 12 3.363 -5.123 -11.144 96 HE1 TYR 12 HE1 TYR 12 1.591 -4.498 -6.597 97 HE2 TYR 12 HE2 TYR 12 3.770 -6.834 -9.425 98 HH TYR 12 HH TYR 12 3.519 -7.400 -7.293 99 H LYS 13 H LYS 13 0.140 0.713 -10.433 100 HA LYS 13 HA LYS 13 1.802 1.823 -12.577 101 1HB LYS 13 2HB LYS 13 -1.074 1.228 -12.663 102 2HB LYS 13 1HB LYS 13 -0.665 2.866 -13.148 103 1HG LYS 13 2HG LYS 13 1.167 1.497 -14.561 104 2HG LYS 13 1HG LYS 13 -0.129 0.301 -14.486 105 1HD LYS 13 2HD LYS 13 -1.344 2.774 -15.073 106 2HD LYS 13 1HD LYS 13 0.072 2.644 -16.118 107 1HE LYS 13 2HE LYS 13 -2.231 0.722 -15.877 108 2HE LYS 13 1HE LYS 13 -1.759 1.672 -17.285 109 1HZ LYS 13 2HZ LYS 13 0.454 0.170 -16.597 110 2HZ LYS 13 1HZ LYS 13 -0.860 -0.890 -16.484 111 3HZ LYS 13 3HZ LYS 13 -0.563 -0.061 -17.928 112 H LEU 14 H LEU 14 0.886 2.112 -9.520 113 HA LEU 14 HA LEU 14 0.564 5.035 -9.586 114 1HB LEU 14 2HB LEU 14 -0.302 2.905 -7.684 115 2HB LEU 14 1HB LEU 14 -0.027 4.525 -7.080 116 HG LEU 14 HG LEU 14 -1.844 4.065 -9.420 117 1HD1 LEU 14 3HD1 LEU 14 -2.383 2.630 -7.321 118 2HD1 LEU 14 2HD1 LEU 14 -2.898 4.170 -6.629 119 3HD1 LEU 14 1HD1 LEU 14 -3.664 3.563 -8.098 120 1HD2 LEU 14 1HD2 LEU 14 -1.048 6.285 -7.749 121 2HD2 LEU 14 3HD2 LEU 14 -1.921 6.281 -9.282 122 3HD2 LEU 14 2HD2 LEU 14 -2.799 6.075 -7.767 123 H THR 15 H THR 15 1.892 6.353 -8.441 124 HA THR 15 HA THR 15 4.286 5.105 -7.256 125 HB THR 15 HB THR 15 5.639 6.766 -8.100 126 HG1 THR 15 HG1 THR 15 4.458 8.809 -8.913 127 1HG2 THR 15 1HG2 THR 15 3.678 5.794 -9.922 128 2HG2 THR 15 3HG2 THR 15 4.054 7.463 -10.352 129 3HG2 THR 15 2HG2 THR 15 5.345 6.266 -10.251 130 H TYR 16 H TYR 16 5.155 6.109 -5.354 131 HA TYR 16 HA TYR 16 3.487 6.649 -3.316 132 1HB TYR 16 2HB TYR 16 5.854 6.453 -2.919 133 2HB TYR 16 1HB TYR 16 6.175 7.933 -3.816 134 HD1 TYR 16 HD1 TYR 16 4.482 6.636 -0.769 135 HD2 TYR 16 HD2 TYR 16 6.210 10.002 -2.724 136 HE1 TYR 16 HE1 TYR 16 4.301 7.933 1.313 137 HE2 TYR 16 HE2 TYR 16 6.032 11.306 -0.645 138 HH TYR 16 HH TYR 16 5.515 11.261 1.520 139 H ALA 17 H ALA 17 4.600 8.996 -5.699 140 HA ALA 17 HA ALA 17 3.380 11.250 -4.467 141 1HB ALA 17 2HB ALA 17 4.229 10.881 -7.336 142 2HB ALA 17 1HB ALA 17 3.877 12.415 -6.540 143 3HB ALA 17 3HB ALA 17 5.260 11.449 -6.022 144 H GLU 18 H GLU 18 2.360 9.003 -7.019 145 HA GLU 18 HA GLU 18 -0.068 10.409 -7.575 146 1HB GLU 18 2HB GLU 18 0.768 7.579 -8.236 147 2HB GLU 18 1HB GLU 18 -0.624 8.412 -8.905 148 1HG GLU 18 2HG GLU 18 0.808 10.024 -9.989 149 2HG GLU 18 1HG GLU 18 2.230 9.292 -9.247 150 H ALA 19 H ALA 19 0.719 7.374 -5.909 151 HA ALA 19 HA ALA 19 -1.761 6.551 -5.098 152 1HB ALA 19 3HB ALA 19 -0.315 4.998 -4.385 153 2HB ALA 19 1HB ALA 19 -0.233 5.959 -2.908 154 3HB ALA 19 2HB ALA 19 0.983 6.174 -4.168 155 H LYS 20 H LYS 20 0.386 8.816 -3.395 156 HA LYS 20 HA LYS 20 -1.362 9.325 -1.238 157 1HB LYS 20 2HB LYS 20 1.155 9.837 -1.473 158 2HB LYS 20 1HB LYS 20 0.643 11.305 -2.291 159 1HG LYS 20 2HG LYS 20 0.071 12.306 -0.380 160 2HG LYS 20 1HG LYS 20 -0.715 10.858 0.253 161 1HD LYS 20 2HD LYS 20 1.525 9.933 0.785 162 2HD LYS 20 1HD LYS 20 2.241 11.461 0.264 163 1HE LYS 20 2HE LYS 20 0.310 12.276 2.032 164 2HE LYS 20 1HE LYS 20 0.884 10.776 2.758 165 1HZ LYS 20 2HZ LYS 20 2.931 12.608 1.805 166 2HZ LYS 20 1HZ LYS 20 2.052 13.117 3.157 167 3HZ LYS 20 3HZ LYS 20 2.897 11.651 3.199 168 H ALA 21 H ALA 21 -0.661 11.214 -4.168 169 HA ALA 21 HA ALA 21 -2.302 13.358 -3.849 170 1HB ALA 21 3HB ALA 21 -2.613 13.305 -6.353 171 2HB ALA 21 1HB ALA 21 -1.735 11.775 -6.343 172 3HB ALA 21 2HB ALA 21 -0.944 13.249 -5.784 173 H VAL 22 H VAL 22 -3.268 10.091 -4.731 174 HA VAL 22 HA VAL 22 -5.973 10.734 -5.335 175 HB VAL 22 HB VAL 22 -4.529 8.167 -4.767 176 1HG1 VAL 22 3HG1 VAL 22 -7.505 8.516 -5.087 177 2HG1 VAL 22 2HG1 VAL 22 -6.664 6.974 -5.248 178 3HG1 VAL 22 1HG1 VAL 22 -6.650 7.830 -3.706 179 1HG2 VAL 22 1HG2 VAL 22 -5.183 9.686 -7.077 180 2HG2 VAL 22 3HG2 VAL 22 -4.304 8.161 -6.974 181 3HG2 VAL 22 2HG2 VAL 22 -6.057 8.157 -7.156 182 H CYS 23 H CYS 23 -4.495 9.147 -2.513 183 HA CYS 23 HA CYS 23 -6.842 9.037 -0.980 184 1HB CYS 23 2HB CYS 23 -3.919 9.008 -0.239 185 2HB CYS 23 1HB CYS 23 -5.193 8.858 0.964 186 H GLU 24 H GLU 24 -4.195 11.398 -1.031 187 HA GLU 24 HA GLU 24 -5.352 13.107 0.930 188 1HB GLU 24 2HB GLU 24 -2.940 13.092 0.455 189 2HB GLU 24 1HB GLU 24 -3.252 13.698 -1.165 190 1HG GLU 24 2HG GLU 24 -4.124 15.766 -0.254 191 2HG GLU 24 1HG GLU 24 -3.901 15.158 1.386 192 H PHE 25 H PHE 25 -5.947 12.573 -2.376 193 HA PHE 25 HA PHE 25 -6.723 15.042 -3.346 194 1HB PHE 25 2HB PHE 25 -6.801 12.469 -4.281 195 2HB PHE 25 1HB PHE 25 -8.513 12.839 -4.109 196 HD1 PHE 25 HD1 PHE 25 -5.371 14.152 -5.585 197 HD2 PHE 25 HD2 PHE 25 -9.620 14.025 -5.760 198 HE1 PHE 25 HE1 PHE 25 -5.311 15.361 -7.725 199 HE2 PHE 25 HE2 PHE 25 -9.571 15.238 -7.902 200 HZ PHE 25 HZ PHE 25 -7.415 15.908 -8.889 201 H GLU 26 H GLU 26 -8.666 12.670 -1.573 202 HA GLU 26 HA GLU 26 -10.754 14.704 -1.213 203 1HB GLU 26 2HB GLU 26 -10.967 11.749 -0.642 204 2HB GLU 26 1HB GLU 26 -12.278 12.914 -0.755 205 1HG GLU 26 2HG GLU 26 -11.753 13.232 -3.137 206 2HG GLU 26 1HG GLU 26 -10.506 11.994 -3.004 207 H GLY 27 H GLY 27 -8.730 15.333 0.304 208 1HA GLY 27 1HA GLY 27 -9.656 15.498 2.875 209 2HA GLY 27 2HA GLY 27 -7.956 15.627 2.451 210 H GLY 28 H GLY 28 -7.484 13.018 1.560 211 1HA GLY 28 2HA GLY 28 -7.931 10.736 2.475 212 2HA GLY 28 1HA GLY 28 -7.888 11.496 4.062 213 H HIS 29 H HIS 29 -6.234 9.606 4.154 214 HA HIS 29 HA HIS 29 -3.604 10.583 3.283 215 1HB HIS 29 2HB HIS 29 -3.166 9.168 5.643 216 2HB HIS 29 1HB HIS 29 -3.107 10.911 5.436 217 HD1 HIS 29 HD1 HIS 29 -6.026 11.658 5.313 218 HD2 HIS 29 HD2 HIS 29 -4.506 8.853 7.971 219 HE1 HIS 29 HE1 HIS 29 -7.678 11.564 7.206 220 HE2 HIS 29 HE2 HIS 29 -6.782 9.797 8.762 221 H LEU 30 H LEU 30 -2.158 9.036 2.589 222 HA LEU 30 HA LEU 30 -3.303 6.507 1.863 223 1HB LEU 30 2HB LEU 30 -1.784 6.563 0.263 224 2HB LEU 30 1HB LEU 30 -1.224 8.101 0.891 225 HG LEU 30 HG LEU 30 0.121 6.350 2.492 226 1HD1 LEU 30 2HD1 LEU 30 -0.659 4.940 0.041 227 2HD1 LEU 30 1HD1 LEU 30 1.061 4.876 0.423 228 3HD1 LEU 30 3HD1 LEU 30 -0.124 4.306 1.598 229 1HD2 LEU 30 3HD2 LEU 30 0.726 7.937 0.086 230 2HD2 LEU 30 2HD2 LEU 30 1.497 7.937 1.673 231 3HD2 LEU 30 1HD2 LEU 30 1.908 6.691 0.494 232 H ALA 31 H ALA 31 -3.245 4.704 2.959 233 HA ALA 31 HA ALA 31 -2.478 4.452 5.565 234 1HB ALA 31 2HB ALA 31 -3.411 2.698 3.522 235 2HB ALA 31 1HB ALA 31 -2.147 1.887 4.447 236 3HB ALA 31 3HB ALA 31 -3.560 2.545 5.273 237 H THR 32 H THR 32 -0.760 3.396 6.653 238 HA THR 32 HA THR 32 1.799 3.534 5.202 239 HB THR 32 HB THR 32 2.897 4.082 7.212 240 HG1 THR 32 HG1 THR 32 2.051 3.705 9.210 241 1HG2 THR 32 1HG2 THR 32 0.874 5.678 6.269 242 2HG2 THR 32 3HG2 THR 32 0.524 5.593 7.995 243 3HG2 THR 32 2HG2 THR 32 2.098 6.162 7.441 244 H TYR 33 H TYR 33 3.267 2.224 7.271 245 HA TYR 33 HA TYR 33 2.778 -0.519 6.515 246 1HB TYR 33 2HB TYR 33 5.064 0.009 6.598 247 2HB TYR 33 1HB TYR 33 4.901 0.887 8.111 248 HD1 TYR 33 HD1 TYR 33 4.505 -2.579 6.759 249 HD2 TYR 33 HD2 TYR 33 5.621 -0.127 10.054 250 HE1 TYR 33 HE1 TYR 33 5.222 -4.577 7.998 251 HE2 TYR 33 HE2 TYR 33 6.341 -2.120 11.301 252 HH TYR 33 HH TYR 33 5.890 -4.542 11.318 253 H LYS 34 H LYS 34 3.542 0.777 9.712 254 HA LYS 34 HA LYS 34 2.434 -1.205 11.234 255 1HB LYS 34 2HB LYS 34 2.700 1.744 11.776 256 2HB LYS 34 1HB LYS 34 2.094 0.628 12.989 257 1HG LYS 34 2HG LYS 34 4.494 -0.462 11.977 258 2HG LYS 34 1HG LYS 34 4.784 1.245 12.315 259 1HD LYS 34 2HD LYS 34 3.770 0.884 14.574 260 2HD LYS 34 1HD LYS 34 3.734 -0.844 14.217 261 1HE LYS 34 2HE LYS 34 6.210 0.877 14.236 262 2HE LYS 34 1HE LYS 34 5.704 -0.187 15.547 263 1HZ LYS 34 3HZ LYS 34 5.751 -1.634 13.132 264 2HZ LYS 34 2HZ LYS 34 7.233 -0.842 13.324 265 3HZ LYS 34 1HZ LYS 34 6.668 -1.882 14.533 266 H GLN 35 H GLN 35 0.802 1.528 9.729 267 HA GLN 35 HA GLN 35 -1.683 1.182 11.039 268 1HB GLN 35 2HB GLN 35 -1.001 2.457 8.382 269 2HB GLN 35 1HB GLN 35 -2.571 2.563 9.160 270 1HG GLN 35 2HG GLN 35 -1.589 3.734 11.042 271 2HG GLN 35 1HG GLN 35 0.010 3.584 10.316 272 1HE2 GLN 35 1HE2 GLN 35 -0.917 6.034 11.004 273 2HE2 GLN 35 2HE2 GLN 35 -1.280 6.956 9.589 274 H LEU 36 H LEU 36 -0.625 0.295 7.750 275 HA LEU 36 HA LEU 36 -2.914 -1.136 7.039 276 1HB LEU 36 2HB LEU 36 -0.856 -0.443 5.617 277 2HB LEU 36 1HB LEU 36 -0.168 -1.964 6.147 278 HG LEU 36 HG LEU 36 -1.356 -1.890 3.868 279 1HD1 LEU 36 2HD1 LEU 36 -1.947 -3.954 5.972 280 2HD1 LEU 36 1HD1 LEU 36 -2.349 -4.167 4.269 281 3HD1 LEU 36 3HD1 LEU 36 -0.667 -3.970 4.759 282 1HD2 LEU 36 3HD2 LEU 36 -3.719 -1.857 5.731 283 2HD2 LEU 36 2HD2 LEU 36 -3.354 -0.732 4.423 284 3HD2 LEU 36 1HD2 LEU 36 -3.804 -2.397 4.054 285 H GLU 37 H GLU 37 -0.322 -1.890 9.161 286 HA GLU 37 HA GLU 37 -0.539 -4.711 9.187 287 1HB GLU 37 2HB GLU 37 1.392 -3.423 10.096 288 2HB GLU 37 1HB GLU 37 0.367 -2.885 11.418 289 1HG GLU 37 2HG GLU 37 1.399 -4.640 12.420 290 2HG GLU 37 1HG GLU 37 -0.002 -5.465 11.740 291 H ALA 38 H ALA 38 -1.621 -2.339 11.599 292 HA ALA 38 HA ALA 38 -3.225 -4.102 13.051 293 1HB ALA 38 1HB ALA 38 -3.363 -2.340 14.399 294 2HB ALA 38 3HB ALA 38 -2.555 -1.366 13.171 295 3HB ALA 38 2HB ALA 38 -4.315 -1.465 13.199 296 H ALA 39 H ALA 39 -3.668 -2.791 9.984 297 HA ALA 39 HA ALA 39 -6.584 -3.034 10.051 298 1HB ALA 39 1HB ALA 39 -4.787 -2.177 7.783 299 2HB ALA 39 3HB ALA 39 -6.546 -2.049 7.839 300 3HB ALA 39 2HB ALA 39 -5.556 -1.077 8.929 301 H ARG 40 H ARG 40 -3.713 -4.579 8.942 302 HA ARG 40 HA ARG 40 -4.901 -6.373 7.083 303 1HB ARG 40 2HB ARG 40 -2.563 -5.947 6.892 304 2HB ARG 40 1HB ARG 40 -2.291 -6.339 8.585 305 1HG ARG 40 2HG ARG 40 -2.980 -8.693 8.047 306 2HG ARG 40 1HG ARG 40 -2.960 -8.231 6.345 307 1HD ARG 40 2HD ARG 40 -0.776 -8.605 6.275 308 2HD ARG 40 1HD ARG 40 -0.530 -7.346 7.484 309 HE ARG 40 HE ARG 40 -0.401 -10.177 7.891 310 1HH1 ARG 40 2HH1 ARG 40 -1.084 -7.124 9.421 311 2HH1 ARG 40 1HH1 ARG 40 -0.704 -7.689 11.013 312 1HH2 ARG 40 2HH2 ARG 40 0.103 -10.931 9.985 313 2HH2 ARG 40 1HH2 ARG 40 -0.029 -9.853 11.333 314 H LYS 41 H LYS 41 -4.275 -6.361 10.516 315 HA LYS 41 HA LYS 41 -4.722 -9.106 10.983 316 1HB LYS 41 2HB LYS 41 -5.182 -6.859 12.941 317 2HB LYS 41 1HB LYS 41 -4.823 -8.540 13.314 318 1HG LYS 41 2HG LYS 41 -2.649 -8.023 11.914 319 2HG LYS 41 1HG LYS 41 -3.019 -6.368 12.402 320 1HD LYS 41 2HD LYS 41 -3.229 -8.300 14.582 321 2HD LYS 41 1HD LYS 41 -1.609 -8.196 13.888 322 1HE LYS 41 2HE LYS 41 -1.288 -6.070 14.606 323 2HE LYS 41 1HE LYS 41 -2.986 -5.635 14.417 324 1HZ LYS 41 1HZ LYS 41 -2.144 -7.487 16.551 325 2HZ LYS 41 3HZ LYS 41 -2.020 -5.814 16.768 326 3HZ LYS 41 2HZ LYS 41 -3.528 -6.519 16.470 327 H ILE 42 H ILE 42 -6.850 -6.543 10.254 328 HA ILE 42 HA ILE 42 -9.163 -7.826 11.474 329 HB ILE 42 HB ILE 42 -10.395 -5.902 10.900 330 1HG1 ILE 42 2HG1 ILE 42 -8.382 -4.484 9.320 331 2HG1 ILE 42 1HG1 ILE 42 -8.936 -5.965 8.552 332 1HG2 ILE 42 2HG2 ILE 42 -7.563 -5.202 11.633 333 2HG2 ILE 42 1HG2 ILE 42 -8.851 -3.996 11.580 334 3HG2 ILE 42 3HG2 ILE 42 -8.966 -5.360 12.693 335 1HD1 ILE 42 1HD1 ILE 42 -10.869 -3.940 9.611 336 2HD1 ILE 42 3HD1 ILE 42 -10.163 -3.802 8.002 337 3HD1 ILE 42 2HD1 ILE 42 -11.138 -5.211 8.419 338 H GLY 43 H GLY 43 -7.486 -7.756 8.502 339 1HA GLY 43 1HA GLY 43 -9.814 -8.841 7.057 340 2HA GLY 43 2HA GLY 43 -8.292 -9.721 7.079 341 H PHE 44 H PHE 44 -7.028 -6.870 7.088 342 HA PHE 44 HA PHE 44 -7.600 -5.966 4.399 343 1HB PHE 44 2HB PHE 44 -6.974 -4.526 6.468 344 2HB PHE 44 1HB PHE 44 -5.319 -4.979 6.080 345 HD1 PHE 44 HD1 PHE 44 -5.387 -4.931 3.134 346 HD2 PHE 44 HD2 PHE 44 -7.079 -2.270 5.986 347 HE1 PHE 44 HE1 PHE 44 -5.274 -3.102 1.485 348 HE2 PHE 44 HE2 PHE 44 -6.973 -0.439 4.349 349 HZ PHE 44 HZ PHE 44 -6.071 -0.854 2.095 350 H HIS 45 H HIS 45 -6.977 -7.942 3.310 351 HA HIS 45 HA HIS 45 -4.060 -8.283 3.101 352 1HB HIS 45 2HB HIS 45 -5.172 -10.306 3.868 353 2HB HIS 45 1HB HIS 45 -6.286 -10.244 2.508 354 HD1 HIS 45 HD1 HIS 45 -4.410 -12.677 3.105 355 HD2 HIS 45 HD2 HIS 45 -3.616 -9.650 0.374 356 HE1 HIS 45 HE1 HIS 45 -2.789 -13.664 1.454 357 HE2 HIS 45 HE2 HIS 45 -2.260 -11.789 -0.139 358 H VAL 46 H VAL 46 -3.100 -7.787 1.238 359 HA VAL 46 HA VAL 46 -4.603 -7.873 -1.249 360 HB VAL 46 HB VAL 46 -4.767 -5.687 -1.650 361 1HG1 VAL 46 2HG1 VAL 46 -3.917 -5.546 1.227 362 2HG1 VAL 46 1HG1 VAL 46 -4.446 -4.127 0.320 363 3HG1 VAL 46 3HG1 VAL 46 -5.548 -5.483 0.561 364 1HG2 VAL 46 1HG2 VAL 46 -1.916 -5.481 -0.738 365 2HG2 VAL 46 3HG2 VAL 46 -2.546 -5.421 -2.386 366 3HG2 VAL 46 2HG2 VAL 46 -2.858 -4.088 -1.272 367 H CYS 47 H CYS 47 -3.393 -9.128 -2.478 368 HA CYS 47 HA CYS 47 -0.563 -9.384 -2.120 369 1HB CYS 47 2HB CYS 47 -2.590 -10.941 -3.249 370 2HB CYS 47 1HB CYS 47 -1.559 -10.501 -4.607 371 H ALA 48 H ALA 48 -0.028 -7.112 -2.494 372 HA ALA 48 HA ALA 48 1.135 -6.664 -4.985 373 1HB ALA 48 2HB ALA 48 -1.510 -6.368 -5.326 374 2HB ALA 48 3HB ALA 48 -0.307 -5.459 -6.240 375 3HB ALA 48 1HB ALA 48 -1.088 -4.726 -4.839 376 H ALA 49 H ALA 49 2.729 -5.268 -4.630 377 HA ALA 49 HA ALA 49 3.335 -4.071 -2.266 378 1HB ALA 49 1HB ALA 49 5.160 -3.510 -3.398 379 2HB ALA 49 3HB ALA 49 4.359 -3.998 -4.892 380 3HB ALA 49 2HB ALA 49 4.248 -2.328 -4.336 381 H GLY 50 H GLY 50 2.413 -2.541 -1.068 382 1HA GLY 50 2HA GLY 50 0.379 -1.162 -0.861 383 2HA GLY 50 1HA GLY 50 0.761 -0.518 -2.449 384 H TRP 51 H TRP 51 1.525 1.471 -2.388 385 HA TRP 51 HA TRP 51 3.787 2.295 -1.024 386 1HB TRP 51 2HB TRP 51 1.488 3.775 -2.253 387 2HB TRP 51 1HB TRP 51 2.739 4.656 -1.380 388 HD1 TRP 51 HD1 TRP 51 1.974 3.242 -4.720 389 HE1 TRP 51 HE1 TRP 51 4.049 3.383 -6.244 390 HE3 TRP 51 HE3 TRP 51 5.491 4.408 -1.199 391 HZ2 TRP 51 HZ2 TRP 51 6.811 3.921 -5.983 392 HZ3 TRP 51 HZ3 TRP 51 7.822 4.720 -1.913 393 HH2 TRP 51 HH2 TRP 51 8.469 4.479 -4.257 394 H MET 52 H MET 52 3.912 4.071 0.607 395 HA MET 52 HA MET 52 1.785 4.366 2.495 396 1HB MET 52 2HB MET 52 3.649 3.448 4.282 397 2HB MET 52 1HB MET 52 2.252 2.541 3.721 398 1HG MET 52 2HG MET 52 4.134 2.062 1.773 399 2HG MET 52 1HG MET 52 5.081 2.089 3.259 400 1HE MET 52 2HE MET 52 5.546 0.168 4.503 401 2HE MET 52 1HE MET 52 4.868 -1.434 4.213 402 3HE MET 52 3HE MET 52 5.733 -0.597 2.925 403 H ALA 53 H ALA 53 2.639 5.595 4.496 404 HA ALA 53 HA ALA 53 3.730 7.998 3.708 405 1HB ALA 53 2HB ALA 53 3.994 8.526 6.041 406 2HB ALA 53 3HB ALA 53 3.953 6.816 6.472 407 3HB ALA 53 1HB ALA 53 2.510 7.599 5.826 408 H LYS 54 H LYS 54 5.780 9.003 4.513 409 HA LYS 54 HA LYS 54 8.050 9.099 4.742 410 1HB LYS 54 2HB LYS 54 7.449 6.570 5.786 411 2HB LYS 54 1HB LYS 54 8.747 6.296 4.634 412 1HG LYS 54 2HG LYS 54 10.094 6.814 6.333 413 2HG LYS 54 1HG LYS 54 9.661 8.484 5.967 414 1HD LYS 54 2HD LYS 54 7.796 7.023 7.726 415 2HD LYS 54 1HD LYS 54 9.389 7.367 8.404 416 1HE LYS 54 2HE LYS 54 7.645 9.449 7.104 417 2HE LYS 54 1HE LYS 54 7.641 9.116 8.836 418 1HZ LYS 54 1HZ LYS 54 10.158 9.752 7.439 419 2HZ LYS 54 3HZ LYS 54 9.122 10.990 7.946 420 3HZ LYS 54 2HZ LYS 54 9.781 9.920 9.079 421 H GLY 55 H GLY 55 6.589 6.943 2.421 422 1HA GLY 55 1HA GLY 55 8.673 7.737 0.491 423 2HA GLY 55 2HA GLY 55 7.016 7.315 0.073 424 H ARG 56 H ARG 56 7.316 5.066 2.143 425 HA ARG 56 HA ARG 56 8.973 3.247 0.536 426 1HB ARG 56 2HB ARG 56 9.152 1.848 2.456 427 2HB ARG 56 1HB ARG 56 9.443 3.495 3.001 428 1HG ARG 56 2HG ARG 56 7.184 3.635 3.872 429 2HG ARG 56 1HG ARG 56 6.837 2.011 3.273 430 1HD ARG 56 2HD ARG 56 7.426 1.376 5.347 431 2HD ARG 56 1HD ARG 56 9.069 1.546 4.730 432 HE ARG 56 HE ARG 56 9.310 3.512 5.950 433 1HH1 ARG 56 2HH1 ARG 56 6.079 2.242 6.227 434 2HH1 ARG 56 1HH1 ARG 56 5.658 3.249 7.572 435 1HH2 ARG 56 1HH2 ARG 56 8.768 4.844 7.720 436 2HH2 ARG 56 2HH2 ARG 56 7.188 4.730 8.421 437 H VAL 57 H VAL 57 8.147 1.067 0.173 438 HA VAL 57 HA VAL 57 5.261 0.739 0.364 439 HB VAL 57 HB VAL 57 5.191 1.633 -1.753 440 1HG1 VAL 57 3HG1 VAL 57 7.967 0.669 -1.942 441 2HG1 VAL 57 2HG1 VAL 57 7.060 0.736 -3.453 442 3HG1 VAL 57 1HG1 VAL 57 7.249 2.191 -2.474 443 1HG2 VAL 57 3HG2 VAL 57 5.665 -1.320 -2.074 444 2HG2 VAL 57 2HG2 VAL 57 4.125 -0.466 -1.961 445 3HG2 VAL 57 1HG2 VAL 57 5.127 -0.290 -3.402 446 H GLY 58 H GLY 58 4.855 -1.228 1.100 447 1HA GLY 58 2HA GLY 58 5.935 -3.245 2.032 448 2HA GLY 58 1HA GLY 58 6.801 -3.373 0.508 449 H TYR 59 H TYR 59 5.439 -5.543 1.394 450 HA TYR 59 HA TYR 59 2.942 -5.552 -0.163 451 1HB TYR 59 2HB TYR 59 4.380 -8.087 -0.292 452 2HB TYR 59 1HB TYR 59 3.642 -7.145 -1.584 453 HD1 TYR 59 HD1 TYR 59 4.970 -5.018 -2.335 454 HD2 TYR 59 HD2 TYR 59 6.693 -8.284 -0.222 455 HE1 TYR 59 HE1 TYR 59 7.196 -4.357 -3.140 456 HE2 TYR 59 HE2 TYR 59 8.925 -7.630 -1.020 457 HH TYR 59 HH TYR 59 9.548 -5.857 -3.493 458 HA PRO 60 HA PRO 60 2.063 -7.329 3.971 459 1HB PRO 60 2HB PRO 60 -0.435 -6.297 4.140 460 2HB PRO 60 1HB PRO 60 1.009 -5.378 4.569 461 1HG PRO 60 2HG PRO 60 -0.632 -5.280 2.080 462 2HG PRO 60 1HG PRO 60 0.123 -3.955 2.979 463 1HD PRO 60 2HD PRO 60 1.171 -5.034 0.695 464 2HD PRO 60 1HD PRO 60 2.147 -4.251 1.952 465 H ILE 61 H ILE 61 1.480 -9.405 4.005 466 HA ILE 61 HA ILE 61 -0.901 -10.237 2.501 467 HB ILE 61 HB ILE 61 1.672 -11.822 2.564 468 1HG1 ILE 61 2HG1 ILE 61 1.700 -9.743 1.125 469 2HG1 ILE 61 1HG1 ILE 61 1.975 -11.253 0.262 470 1HG2 ILE 61 1HG2 ILE 61 -0.565 -13.042 2.495 471 2HG2 ILE 61 3HG2 ILE 61 -0.760 -12.352 0.882 472 3HG2 ILE 61 2HG2 ILE 61 0.598 -13.425 1.225 473 1HD1 ILE 61 1HD1 ILE 61 -0.726 -10.986 0.065 474 2HD1 ILE 61 3HD1 ILE 61 -0.182 -9.309 0.005 475 3HD1 ILE 61 2HD1 ILE 61 0.443 -10.479 -1.156 476 H VAL 62 H VAL 62 -2.176 -10.508 4.277 477 HA VAL 62 HA VAL 62 -1.361 -11.605 6.733 478 HB VAL 62 HB VAL 62 -3.551 -10.303 6.024 479 1HG1 VAL 62 3HG1 VAL 62 -4.389 -12.127 4.597 480 2HG1 VAL 62 2HG1 VAL 62 -4.502 -13.162 6.021 481 3HG1 VAL 62 1HG1 VAL 62 -5.506 -11.716 5.899 482 1HG2 VAL 62 3HG2 VAL 62 -2.784 -10.837 8.317 483 2HG2 VAL 62 2HG2 VAL 62 -4.536 -10.901 8.137 484 3HG2 VAL 62 1HG2 VAL 62 -3.600 -12.395 8.192 485 H LYS 63 H LYS 63 -2.934 -13.082 3.921 486 HA LYS 63 HA LYS 63 -2.370 -15.727 5.092 487 1HB LYS 63 2HB LYS 63 -4.684 -14.654 3.592 488 2HB LYS 63 1HB LYS 63 -4.182 -16.282 3.163 489 1HG LYS 63 2HG LYS 63 -4.302 -15.956 6.026 490 2HG LYS 63 1HG LYS 63 -5.838 -15.536 5.262 491 1HD LYS 63 2HD LYS 63 -6.151 -17.781 5.493 492 2HD LYS 63 1HD LYS 63 -5.352 -17.771 3.921 493 1HE LYS 63 2HE LYS 63 -3.289 -18.421 4.848 494 2HE LYS 63 1HE LYS 63 -3.818 -18.050 6.487 495 1HZ LYS 63 1HZ LYS 63 -5.592 -19.885 5.897 496 2HZ LYS 63 3HZ LYS 63 -4.373 -20.400 4.842 497 3HZ LYS 63 2HZ LYS 63 -4.065 -20.291 6.501 498 HA PRO 64 HA PRO 64 0.786 -15.419 1.760 499 1HB PRO 64 2HB PRO 64 1.214 -18.112 2.974 500 2HB PRO 64 1HB PRO 64 2.400 -16.895 2.497 501 1HG PRO 64 2HG PRO 64 1.741 -17.257 5.061 502 2HG PRO 64 1HG PRO 64 2.088 -15.645 4.414 503 1HD PRO 64 2HD PRO 64 -0.506 -16.851 5.196 504 2HD PRO 64 1HD PRO 64 -0.011 -15.146 5.174 505 H GLY 65 H GLY 65 0.173 -15.846 -0.260 506 1HA GLY 65 2HA GLY 65 -1.323 -16.792 -1.849 507 2HA GLY 65 1HA GLY 65 -1.556 -18.161 -0.772 508 HA PRO 66 HA PRO 66 1.454 -20.488 -2.978 509 1HB PRO 66 2HB PRO 66 0.109 -21.402 -5.141 510 2HB PRO 66 1HB PRO 66 -0.211 -21.983 -3.505 511 1HG PRO 66 2HG PRO 66 -1.701 -19.948 -5.119 512 2HG PRO 66 1HG PRO 66 -2.339 -21.254 -4.105 513 1HD PRO 66 2HD PRO 66 -2.210 -18.675 -3.270 514 2HD PRO 66 1HD PRO 66 -2.057 -20.053 -2.161 515 H ASN 67 H ASN 67 -0.317 -19.394 -5.826 516 HA ASN 67 HA ASN 67 2.118 -18.635 -7.135 517 1HB ASN 67 2HB ASN 67 -0.264 -17.706 -8.488 518 2HB ASN 67 1HB ASN 67 0.907 -18.920 -8.997 519 1HD2 ASN 67 2HD2 ASN 67 -2.241 -18.367 -8.049 520 2HD2 ASN 67 1HD2 ASN 67 -2.722 -20.000 -7.758 521 H CYS 68 H CYS 68 0.365 -17.100 -4.850 522 HA CYS 68 HA CYS 68 0.029 -14.492 -5.829 523 1HB CYS 68 2HB CYS 68 -0.400 -15.807 -3.406 524 2HB CYS 68 1HB CYS 68 0.764 -14.543 -3.020 525 H GLY 69 H GLY 69 2.846 -16.216 -5.428 526 1HA GLY 69 1HA GLY 69 4.445 -13.813 -5.765 527 2HA GLY 69 2HA GLY 69 5.003 -15.472 -5.932 528 H PHE 70 H PHE 70 4.580 -16.663 -3.624 529 HA PHE 70 HA PHE 70 5.065 -16.777 -1.380 530 1HB PHE 70 2HB PHE 70 7.253 -16.953 -2.621 531 2HB PHE 70 1HB PHE 70 7.512 -15.249 -2.272 532 HD1 PHE 70 HD1 PHE 70 6.153 -17.972 -0.133 533 HD2 PHE 70 HD2 PHE 70 9.271 -15.152 -0.783 534 HE1 PHE 70 HE1 PHE 70 7.147 -18.578 2.036 535 HE2 PHE 70 HE2 PHE 70 10.273 -15.753 1.383 536 HZ PHE 70 HZ PHE 70 9.210 -17.469 2.795 537 H GLY 71 H GLY 71 3.319 -15.280 -0.816 538 1HA GLY 71 1HA GLY 71 2.468 -13.407 0.220 539 2HA GLY 71 2HA GLY 71 3.838 -12.504 -0.418 540 H LYS 72 H LYS 72 5.306 -14.949 1.057 541 HA LYS 72 HA LYS 72 6.173 -15.373 3.136 542 1HB LYS 72 2HB LYS 72 6.946 -12.871 2.121 543 2HB LYS 72 1HB LYS 72 6.689 -12.637 3.846 544 1HG LYS 72 2HG LYS 72 8.414 -14.009 4.432 545 2HG LYS 72 1HG LYS 72 8.258 -15.002 2.979 546 1HD LYS 72 2HD LYS 72 10.146 -13.895 2.391 547 2HD LYS 72 1HD LYS 72 8.982 -12.686 1.846 548 1HE LYS 72 2HE LYS 72 10.251 -11.308 3.106 549 2HE LYS 72 1HE LYS 72 9.247 -11.937 4.411 550 1HZ LYS 72 1HZ LYS 72 11.167 -13.767 4.356 551 2HZ LYS 72 3HZ LYS 72 12.052 -12.422 3.831 552 3HZ LYS 72 2HZ LYS 72 11.244 -12.377 5.317 553 H THR 73 H THR 73 6.330 -13.846 5.430 554 HA THR 73 HA THR 73 3.526 -13.868 6.327 555 HB THR 73 HB THR 73 4.942 -13.912 8.644 556 HG1 THR 73 HG1 THR 73 6.428 -15.452 6.757 557 1HG2 THR 73 1HG2 THR 73 3.379 -15.722 7.089 558 2HG2 THR 73 3HG2 THR 73 4.717 -16.613 7.813 559 3HG2 THR 73 2HG2 THR 73 3.615 -15.691 8.836 560 H GLY 74 H GLY 74 2.630 -12.031 7.017 561 1HA GLY 74 2HA GLY 74 4.152 -9.962 8.306 562 2HA GLY 74 1HA GLY 74 2.440 -9.903 7.903 563 H ILE 75 H ILE 75 3.877 -7.640 7.564 564 HA ILE 75 HA ILE 75 3.637 -7.228 4.722 565 HB ILE 75 HB ILE 75 4.470 -5.300 6.892 566 1HG1 ILE 75 1HG1 ILE 75 1.827 -5.835 5.529 567 2HG1 ILE 75 2HG1 ILE 75 2.200 -6.012 7.239 568 1HG2 ILE 75 1HG2 ILE 75 4.579 -5.103 4.035 569 2HG2 ILE 75 3HG2 ILE 75 3.412 -3.943 4.673 570 3HG2 ILE 75 2HG2 ILE 75 5.077 -3.930 5.256 571 1HD1 ILE 75 1HD1 ILE 75 2.671 -3.493 7.184 572 2HD1 ILE 75 3HD1 ILE 75 1.799 -3.515 5.651 573 3HD1 ILE 75 2HD1 ILE 75 0.994 -4.038 7.131 574 H ILE 76 H ILE 76 5.213 -7.430 3.302 575 HA ILE 76 HA ILE 76 7.976 -7.599 4.243 576 HB ILE 76 HB ILE 76 7.002 -8.153 1.446 577 1HG1 ILE 76 2HG1 ILE 76 5.731 -9.693 2.669 578 2HG1 ILE 76 1HG1 ILE 76 7.180 -10.606 2.263 579 1HG2 ILE 76 2HG2 ILE 76 9.547 -8.005 2.580 580 2HG2 ILE 76 1HG2 ILE 76 9.216 -9.728 2.393 581 3HG2 ILE 76 3HG2 ILE 76 9.117 -8.655 0.997 582 1HD1 ILE 76 1HD1 ILE 76 8.064 -9.964 4.535 583 2HD1 ILE 76 3HD1 ILE 76 6.437 -9.387 4.897 584 3HD1 ILE 76 2HD1 ILE 76 6.705 -11.087 4.509 585 H ASP 77 H ASP 77 8.156 -5.304 4.611 586 HA ASP 77 HA ASP 77 8.369 -3.718 2.139 587 1HB ASP 77 2HB ASP 77 6.827 -2.609 3.516 588 2HB ASP 77 1HB ASP 77 7.740 -2.961 4.980 589 H TYR 78 H TYR 78 10.293 -2.956 1.523 590 HA TYR 78 HA TYR 78 12.592 -3.500 3.259 591 1HB TYR 78 2HB TYR 78 12.512 -2.855 0.303 592 2HB TYR 78 1HB TYR 78 13.946 -3.298 1.223 593 HD1 TYR 78 HD1 TYR 78 10.504 -4.656 0.646 594 HD2 TYR 78 HD2 TYR 78 14.667 -5.468 0.976 595 HE1 TYR 78 HE1 TYR 78 10.071 -7.029 0.169 596 HE2 TYR 78 HE2 TYR 78 14.247 -7.843 0.499 597 HH TYR 78 HH TYR 78 10.964 -9.036 -0.153 598 H GLY 79 H GLY 79 10.747 -1.165 3.499 599 1HA GLY 79 2HA GLY 79 12.705 0.811 4.040 600 2HA GLY 79 1HA GLY 79 10.959 1.052 4.071 601 H ILE 80 H ILE 80 12.078 3.175 3.206 602 HA ILE 80 HA ILE 80 11.258 3.467 0.523 603 HB ILE 80 HB ILE 80 13.077 5.355 2.012 604 1HG1 ILE 80 1HG1 ILE 80 10.176 5.873 2.038 605 2HG1 ILE 80 2HG1 ILE 80 10.679 4.479 2.987 606 1HG2 ILE 80 1HG2 ILE 80 11.732 5.410 -0.534 607 2HG2 ILE 80 3HG2 ILE 80 11.194 6.741 0.491 608 3HG2 ILE 80 2HG2 ILE 80 12.910 6.537 0.139 609 1HD1 ILE 80 1HD1 ILE 80 12.072 7.100 3.303 610 2HD1 ILE 80 3HD1 ILE 80 10.538 6.787 4.114 611 3HD1 ILE 80 2HD1 ILE 80 11.934 5.760 4.442 612 H ARG 81 H ARG 81 12.299 3.121 -1.327 613 HA ARG 81 HA ARG 81 15.196 2.621 -1.221 614 1HB ARG 81 2HB ARG 81 13.092 1.699 -3.183 615 2HB ARG 81 1HB ARG 81 14.817 1.445 -3.411 616 1HG ARG 81 2HG ARG 81 13.441 0.492 -0.930 617 2HG ARG 81 1HG ARG 81 13.406 -0.457 -2.418 618 1HD ARG 81 2HD ARG 81 16.067 0.517 -1.704 619 2HD ARG 81 1HD ARG 81 15.364 -0.568 -0.506 620 HE ARG 81 HE ARG 81 15.914 -1.233 -3.315 621 1HH1 ARG 81 1HH1 ARG 81 15.119 -2.193 -0.063 622 2HH1 ARG 81 2HH1 ARG 81 15.357 -3.881 -0.363 623 1HH2 ARG 81 1HH2 ARG 81 16.231 -3.455 -3.722 624 2HH2 ARG 81 2HH2 ARG 81 15.991 -4.599 -2.444 625 H LEU 82 H LEU 82 13.640 5.223 -1.522 626 HA LEU 82 HA LEU 82 13.805 7.181 -2.667 627 1HB LEU 82 2HB LEU 82 16.331 6.211 -2.372 628 2HB LEU 82 1HB LEU 82 16.253 6.418 -4.109 629 HG LEU 82 HG LEU 82 17.206 8.400 -3.202 630 1HD1 LEU 82 2HD1 LEU 82 14.310 8.825 -3.909 631 2HD1 LEU 82 1HD1 LEU 82 15.502 10.119 -3.784 632 3HD1 LEU 82 3HD1 LEU 82 15.696 8.857 -5.000 633 1HD2 LEU 82 1HD2 LEU 82 16.358 8.020 -0.885 634 2HD2 LEU 82 3HD2 LEU 82 16.254 9.692 -1.437 635 3HD2 LEU 82 2HD2 LEU 82 14.808 8.682 -1.404 636 H ASN 83 H ASN 83 12.391 4.984 -3.912 637 HA ASN 83 HA ASN 83 12.683 5.783 -6.733 638 1HB ASN 83 2HB ASN 83 12.607 3.110 -5.524 639 2HB ASN 83 1HB ASN 83 11.476 3.317 -6.858 640 1HD2 ASN 83 1HD2 ASN 83 12.509 4.532 -8.775 641 2HD2 ASN 83 2HD2 ASN 83 14.063 3.954 -9.258 642 H ARG 84 H ARG 84 11.087 7.345 -5.364 643 HA ARG 84 HA ARG 84 8.436 6.474 -4.971 644 1HB ARG 84 2HB ARG 84 9.597 9.219 -5.449 645 2HB ARG 84 1HB ARG 84 7.915 8.933 -5.036 646 1HG ARG 84 2HG ARG 84 8.619 7.885 -2.933 647 2HG ARG 84 1HG ARG 84 10.300 8.227 -3.345 648 1HD ARG 84 2HD ARG 84 8.847 10.639 -3.624 649 2HD ARG 84 1HD ARG 84 8.389 9.920 -2.080 650 HE ARG 84 HE ARG 84 10.488 10.369 -1.286 651 1HH1 ARG 84 1HH1 ARG 84 10.495 10.658 -4.758 652 2HH1 ARG 84 2HH1 ARG 84 12.094 11.319 -4.829 653 1HH2 ARG 84 2HH2 ARG 84 12.596 11.239 -1.370 654 2HH2 ARG 84 1HH2 ARG 84 13.288 11.650 -2.905 655 H SER 85 H SER 85 10.122 6.634 -7.776 656 HA SER 85 HA SER 85 7.834 7.465 -9.409 657 1HB SER 85 2HB SER 85 10.718 7.617 -9.721 658 2HB SER 85 1HB SER 85 9.957 6.867 -11.123 659 HG SER 85 HG SER 85 9.229 9.359 -9.972 660 H GLU 86 H GLU 86 8.555 4.785 -7.940 661 HA GLU 86 HA GLU 86 8.702 2.852 -10.037 662 1HB GLU 86 2HB GLU 86 8.329 2.789 -7.083 663 2HB GLU 86 1HB GLU 86 7.837 1.370 -7.999 664 1HG GLU 86 2HG GLU 86 10.514 2.478 -8.582 665 2HG GLU 86 1HG GLU 86 10.292 1.692 -7.020 666 H ARG 87 H ARG 87 6.845 0.956 -9.547 667 HA ARG 87 HA ARG 87 4.237 2.273 -9.780 668 1HB ARG 87 2HB ARG 87 4.910 0.025 -11.638 669 2HB ARG 87 1HB ARG 87 3.665 1.255 -11.785 670 1HG ARG 87 2HG ARG 87 5.754 2.859 -11.934 671 2HG ARG 87 1HG ARG 87 6.550 1.379 -12.471 672 1HD ARG 87 2HD ARG 87 4.373 1.233 -13.994 673 2HD ARG 87 1HD ARG 87 4.429 2.983 -13.781 674 HE ARG 87 HE ARG 87 6.983 2.167 -14.495 675 1HH1 ARG 87 1HH1 ARG 87 3.788 2.192 -15.878 676 2HH1 ARG 87 2HH1 ARG 87 4.354 2.316 -17.510 677 1HH2 ARG 87 1HH2 ARG 87 7.741 2.330 -16.636 678 2HH2 ARG 87 2HH2 ARG 87 6.605 2.394 -17.942 679 H TRP 88 H TRP 88 2.966 1.449 -8.310 680 HA TRP 88 HA TRP 88 2.714 -1.427 -7.990 681 1HB TRP 88 2HB TRP 88 3.112 0.227 -5.506 682 2HB TRP 88 1HB TRP 88 3.165 -1.522 -5.679 683 HD1 TRP 88 HD1 TRP 88 5.357 1.491 -5.629 684 HE1 TRP 88 HE1 TRP 88 7.795 0.812 -6.106 685 HE3 TRP 88 HE3 TRP 88 4.569 -3.310 -7.196 686 HZ2 TRP 88 HZ2 TRP 88 9.197 -1.461 -7.024 687 HZ3 TRP 88 HZ3 TRP 88 6.510 -4.671 -7.854 688 HH2 TRP 88 HH2 TRP 88 8.776 -3.764 -7.771 689 H ASP 89 H ASP 89 1.397 -0.652 -5.305 690 HA ASP 89 HA ASP 89 -1.122 0.307 -6.486 691 1HB ASP 89 2HB ASP 89 -0.940 -1.262 -3.923 692 2HB ASP 89 1HB ASP 89 -2.339 -1.022 -4.964 693 H ALA 90 H ALA 90 -2.529 0.942 -4.258 694 HA ALA 90 HA ALA 90 -0.890 2.781 -2.691 695 1HB ALA 90 3HB ALA 90 -1.609 4.065 -4.647 696 2HB ALA 90 1HB ALA 90 -2.328 4.682 -3.159 697 3HB ALA 90 2HB ALA 90 -3.292 3.702 -4.264 698 H TYR 91 H TYR 91 -1.466 2.731 -0.621 699 HA TYR 91 HA TYR 91 -4.019 1.503 0.103 700 1HB TYR 91 2HB TYR 91 -1.431 1.976 1.560 701 2HB TYR 91 1HB TYR 91 -2.906 1.625 2.446 702 HD1 TYR 91 HD1 TYR 91 -4.239 -0.512 1.352 703 HD2 TYR 91 HD2 TYR 91 -0.042 0.193 1.209 704 HE1 TYR 91 HE1 TYR 91 -3.848 -2.913 1.026 705 HE2 TYR 91 HE2 TYR 91 0.353 -2.211 0.886 706 HH TYR 91 HH TYR 91 -2.350 -4.498 0.637 707 H CYS 92 H CYS 92 -5.663 2.710 0.848 708 HA CYS 92 HA CYS 92 -5.129 5.535 1.422 709 1HB CYS 92 2HB CYS 92 -7.257 4.128 0.088 710 2HB CYS 92 1HB CYS 92 -7.909 5.075 1.421 711 H TYR 93 H TYR 93 -6.405 6.554 3.158 712 HA TYR 93 HA TYR 93 -7.328 4.857 5.304 713 1HB TYR 93 2HB TYR 93 -4.828 4.950 5.562 714 2HB TYR 93 1HB TYR 93 -4.968 6.691 5.781 715 HD1 TYR 93 HD1 TYR 93 -6.421 7.528 7.712 716 HD2 TYR 93 HD2 TYR 93 -5.059 3.511 7.397 717 HE1 TYR 93 HE1 TYR 93 -6.812 7.217 10.117 718 HE2 TYR 93 HE2 TYR 93 -5.449 3.184 9.804 719 HH TYR 93 HH TYR 93 -5.611 4.574 11.849 720 H ASN 94 H ASN 94 -9.103 5.843 6.020 721 HA ASN 94 HA ASN 94 -9.067 8.744 6.414 722 1HB ASN 94 2HB ASN 94 -11.089 7.199 4.799 723 2HB ASN 94 1HB ASN 94 -11.483 8.751 5.532 724 1HD2 ASN 94 2HD2 ASN 94 -11.639 10.059 3.833 725 2HD2 ASN 94 1HD2 ASN 94 -10.390 10.328 2.668 726 HA PRO 95 HA PRO 95 -10.817 7.850 10.355 727 1HB PRO 95 2HB PRO 95 -12.605 9.977 10.517 728 2HB PRO 95 1HB PRO 95 -10.897 10.042 10.965 729 1HG PRO 95 2HG PRO 95 -12.236 10.917 8.446 730 2HG PRO 95 1HG PRO 95 -10.885 11.664 9.318 731 1HD PRO 95 2HD PRO 95 -10.496 10.238 7.080 732 2HD PRO 95 1HD PRO 95 -9.333 10.196 8.421 733 H HIS 96 H HIS 96 -13.240 9.068 8.042 734 HA HIS 96 HA HIS 96 -15.174 7.134 9.086 735 1HB HIS 96 2HB HIS 96 -15.706 9.272 7.023 736 2HB HIS 96 1HB HIS 96 -16.872 8.430 8.040 737 HD1 HIS 96 HD1 HIS 96 -15.602 8.836 10.792 738 HD2 HIS 96 HD2 HIS 96 -15.914 11.828 7.925 739 HE1 HIS 96 HE1 HIS 96 -15.506 11.003 12.067 740 HE2 HIS 96 HE2 HIS 96 -15.605 12.799 10.302 741 H ALA 97 H ALA 97 -13.231 7.868 6.314 742 HA ALA 97 HA ALA 97 -13.353 7.019 4.125 743 1HB ALA 97 2HB ALA 97 -11.569 5.774 4.699 744 2HB ALA 97 3HB ALA 97 -12.706 4.430 4.573 745 3HB ALA 97 1HB ALA 97 -12.350 5.139 6.149 746 H LYS 98 H LYS 98 -15.748 7.323 3.948 747 HA LYS 98 HA LYS 98 -17.446 5.045 4.328 748 1HB LYS 98 2HB LYS 98 -18.321 7.332 4.481 749 2HB LYS 98 1HB LYS 98 -17.916 7.608 2.792 750 1HG LYS 98 2HG LYS 98 -19.717 6.489 2.038 751 2HG LYS 98 1HG LYS 98 -19.639 5.282 3.320 752 1HD LYS 98 2HD LYS 98 -20.506 7.018 4.898 753 2HD LYS 98 1HD LYS 98 -20.750 8.077 3.508 754 1HE LYS 98 2HE LYS 98 -22.109 6.116 2.532 755 2HE LYS 98 1HE LYS 98 -22.137 5.509 4.188 756 1HZ LYS 98 3HZ LYS 98 -23.117 7.641 4.871 757 2HZ LYS 98 2HZ LYS 98 -23.172 8.131 3.254 758 3HZ LYS 98 1HZ LYS 98 -24.094 6.810 3.768 No H/Q in entry = 758 Start of MODEL 18 1 H1 GLY 1 2H GLY 1 -9.197 2.720 8.982 2 H2 GLY 1 1H GLY 1 -9.993 4.115 9.514 3 H3 GLY 1 3H GLY 1 -10.683 2.592 9.779 4 1HA GLY 1 1HA GLY 1 -11.386 4.186 7.773 5 2HA GLY 1 2HA GLY 1 -11.533 2.436 7.726 6 H VAL 2 H VAL 2 -8.931 1.663 7.437 7 HA VAL 2 HA VAL 2 -7.965 3.017 5.022 8 HB VAL 2 HB VAL 2 -6.232 2.808 6.615 9 1HG1 VAL 2 3HG1 VAL 2 -7.615 0.474 7.406 10 2HG1 VAL 2 2HG1 VAL 2 -5.959 0.008 7.011 11 3HG1 VAL 2 1HG1 VAL 2 -6.260 1.272 8.205 12 1HG2 VAL 2 3HG2 VAL 2 -6.094 0.846 4.372 13 2HG2 VAL 2 2HG2 VAL 2 -5.240 2.374 4.582 14 3HG2 VAL 2 1HG2 VAL 2 -4.759 0.959 5.519 15 H TYR 3 H TYR 3 -7.383 1.813 3.163 16 HA TYR 3 HA TYR 3 -8.030 -0.974 2.954 17 1HB TYR 3 2HB TYR 3 -9.725 -0.588 1.108 18 2HB TYR 3 1HB TYR 3 -10.277 -0.226 2.740 19 HD1 TYR 3 HD1 TYR 3 -10.672 2.078 3.438 20 HD2 TYR 3 HD2 TYR 3 -9.416 1.172 -0.525 21 HE1 TYR 3 HE1 TYR 3 -11.318 4.340 2.722 22 HE2 TYR 3 HE2 TYR 3 -10.058 3.432 -1.251 23 HH TYR 3 HH TYR 3 -11.932 5.522 0.681 24 H HIS 4 H HIS 4 -8.031 -1.539 0.441 25 HA HIS 4 HA HIS 4 -5.501 -0.498 -0.540 26 1HB HIS 4 2HB HIS 4 -5.535 -2.826 -0.679 27 2HB HIS 4 1HB HIS 4 -7.214 -2.869 -1.208 28 HD1 HIS 4 HD1 HIS 4 -7.613 -3.059 -3.663 29 HD2 HIS 4 HD2 HIS 4 -3.711 -1.933 -2.780 30 HE1 HIS 4 HE1 HIS 4 -6.387 -3.102 -5.858 31 HE2 HIS 4 HE2 HIS 4 -4.013 -2.482 -5.290 32 H ARG 5 H ARG 5 -5.212 0.178 -2.744 33 HA ARG 5 HA ARG 5 -7.590 0.954 -4.230 34 1HB ARG 5 2HB ARG 5 -6.050 2.813 -2.634 35 2HB ARG 5 1HB ARG 5 -5.996 3.257 -4.333 36 1HG ARG 5 2HG ARG 5 -8.578 2.661 -2.928 37 2HG ARG 5 1HG ARG 5 -7.848 4.267 -2.922 38 1HD ARG 5 2HD ARG 5 -8.183 4.579 -5.177 39 2HD ARG 5 1HD ARG 5 -8.215 2.849 -5.517 40 HE ARG 5 HE ARG 5 -10.425 3.677 -3.911 41 1HH1 ARG 5 1HH1 ARG 5 -9.216 3.535 -7.174 42 2HH1 ARG 5 2HH1 ARG 5 -10.790 3.523 -7.894 43 1HH2 ARG 5 2HH2 ARG 5 -12.503 3.663 -4.851 44 2HH2 ARG 5 1HH2 ARG 5 -12.659 3.596 -6.575 45 H GLU 6 H GLU 6 -7.172 1.483 -6.423 46 HA GLU 6 HA GLU 6 -4.468 0.760 -7.343 47 1HB GLU 6 2HB GLU 6 -5.898 -1.068 -7.892 48 2HB GLU 6 1HB GLU 6 -7.146 0.004 -8.509 49 1HG GLU 6 2HG GLU 6 -5.672 0.638 -10.356 50 2HG GLU 6 1HG GLU 6 -4.438 -0.460 -9.737 51 H ALA 7 H ALA 7 -4.182 1.464 -9.719 52 HA ALA 7 HA ALA 7 -4.595 4.316 -9.789 53 1HB ALA 7 3HB ALA 7 -2.679 4.230 -10.904 54 2HB ALA 7 2HB ALA 7 -2.763 2.469 -10.945 55 3HB ALA 7 1HB ALA 7 -3.499 3.416 -12.237 56 H ARG 8 H ARG 8 -5.476 5.442 -11.659 57 HA ARG 8 HA ARG 8 -8.054 4.566 -12.330 58 1HB ARG 8 2HB ARG 8 -6.265 6.739 -13.371 59 2HB ARG 8 1HB ARG 8 -7.810 6.413 -14.147 60 1HG ARG 8 2HG ARG 8 -7.736 6.813 -11.198 61 2HG ARG 8 1HG ARG 8 -7.598 8.213 -12.261 62 1HD ARG 8 2HD ARG 8 -9.790 6.191 -12.592 63 2HD ARG 8 1HD ARG 8 -9.937 7.539 -11.465 64 HE ARG 8 HE ARG 8 -9.232 8.742 -13.786 65 1HH1 ARG 8 1HH1 ARG 8 -11.735 6.478 -12.923 66 2HH1 ARG 8 2HH1 ARG 8 -12.847 7.054 -14.120 67 1HH2 ARG 8 1HH2 ARG 8 -10.689 9.507 -15.363 68 2HH2 ARG 8 2HH2 ARG 8 -12.252 8.775 -15.508 69 H SER 9 H SER 9 -4.974 4.039 -13.832 70 HA SER 9 HA SER 9 -6.183 3.022 -16.278 71 1HB SER 9 2HB SER 9 -3.972 4.415 -16.078 72 2HB SER 9 1HB SER 9 -3.249 2.856 -15.683 73 HG SER 9 HG SER 9 -4.183 2.079 -17.677 74 H GLY 10 H GLY 10 -4.072 1.839 -13.677 75 1HA GLY 10 2HA GLY 10 -4.002 -0.830 -14.518 76 2HA GLY 10 1HA GLY 10 -5.353 -0.635 -13.414 77 H LYS 11 H LYS 11 -3.894 -2.305 -12.312 78 HA LYS 11 HA LYS 11 -2.696 -1.085 -10.061 79 1HB LYS 11 2HB LYS 11 -3.784 -3.336 -10.071 80 2HB LYS 11 1HB LYS 11 -2.405 -3.953 -10.973 81 1HG LYS 11 2HG LYS 11 -0.925 -3.410 -9.123 82 2HG LYS 11 1HG LYS 11 -2.284 -2.734 -8.220 83 1HD LYS 11 2HD LYS 11 -2.333 -4.806 -7.314 84 2HD LYS 11 1HD LYS 11 -3.274 -5.169 -8.762 85 1HE LYS 11 2HE LYS 11 -0.910 -5.632 -9.799 86 2HE LYS 11 1HE LYS 11 -0.445 -5.850 -8.112 87 1HZ LYS 11 2HZ LYS 11 -2.674 -7.297 -9.435 88 2HZ LYS 11 1HZ LYS 11 -1.120 -7.927 -9.218 89 3HZ LYS 11 3HZ LYS 11 -2.082 -7.562 -7.874 90 H TYR 12 H TYR 12 -0.467 -1.489 -9.311 91 HA TYR 12 HA TYR 12 1.771 -1.156 -9.545 92 1HB TYR 12 2HB TYR 12 1.196 -3.048 -11.816 93 2HB TYR 12 1HB TYR 12 2.828 -2.471 -11.491 94 HD1 TYR 12 HD1 TYR 12 1.216 -2.618 -8.411 95 HD2 TYR 12 HD2 TYR 12 2.905 -5.155 -11.382 96 HE1 TYR 12 HE1 TYR 12 1.505 -4.391 -6.727 97 HE2 TYR 12 HE2 TYR 12 3.198 -6.931 -9.707 98 HH TYR 12 HH TYR 12 3.470 -6.915 -7.034 99 H LYS 13 H LYS 13 0.526 1.034 -10.286 100 HA LYS 13 HA LYS 13 2.216 2.093 -12.378 101 1HB LYS 13 2HB LYS 13 -0.748 1.802 -12.689 102 2HB LYS 13 1HB LYS 13 0.065 3.187 -13.406 103 1HG LYS 13 2HG LYS 13 1.647 1.157 -14.261 104 2HG LYS 13 1HG LYS 13 0.069 0.369 -14.212 105 1HD LYS 13 2HD LYS 13 -0.001 3.040 -15.390 106 2HD LYS 13 1HD LYS 13 1.023 1.907 -16.275 107 1HE LYS 13 2HE LYS 13 -1.006 0.298 -16.025 108 2HE LYS 13 1HE LYS 13 -1.914 1.781 -15.727 109 1HZ LYS 13 3HZ LYS 13 -0.732 2.553 -17.890 110 2HZ LYS 13 2HZ LYS 13 -0.563 0.895 -18.180 111 3HZ LYS 13 1HZ LYS 13 -2.103 1.566 -17.985 112 H LEU 14 H LEU 14 0.918 2.332 -9.442 113 HA LEU 14 HA LEU 14 0.609 5.253 -9.471 114 1HB LEU 14 2HB LEU 14 -0.329 3.067 -7.678 115 2HB LEU 14 1HB LEU 14 -0.057 4.649 -6.978 116 HG LEU 14 HG LEU 14 -1.785 4.354 -9.410 117 1HD1 LEU 14 1HD1 LEU 14 -2.396 2.817 -7.361 118 2HD1 LEU 14 3HD1 LEU 14 -3.018 4.332 -6.704 119 3HD1 LEU 14 2HD1 LEU 14 -3.636 3.713 -8.237 120 1HD2 LEU 14 2HD2 LEU 14 -0.903 6.510 -7.904 121 2HD2 LEU 14 1HD2 LEU 14 -2.219 6.509 -9.079 122 3HD2 LEU 14 3HD2 LEU 14 -2.563 6.248 -7.369 123 H THR 15 H THR 15 2.048 6.562 -8.549 124 HA THR 15 HA THR 15 4.374 5.331 -7.241 125 HB THR 15 HB THR 15 5.627 7.299 -7.798 126 HG1 THR 15 HG1 THR 15 3.903 8.711 -9.268 127 1HG2 THR 15 2HG2 THR 15 4.421 5.651 -9.738 128 2HG2 THR 15 1HG2 THR 15 4.399 7.290 -10.390 129 3HG2 THR 15 3HG2 THR 15 5.923 6.565 -9.880 130 H TYR 16 H TYR 16 5.175 6.173 -5.283 131 HA TYR 16 HA TYR 16 3.535 6.646 -3.226 132 1HB TYR 16 2HB TYR 16 5.902 6.437 -2.855 133 2HB TYR 16 1HB TYR 16 6.217 7.953 -3.693 134 HD1 TYR 16 HD1 TYR 16 4.574 6.526 -0.681 135 HD2 TYR 16 HD2 TYR 16 6.243 9.981 -2.525 136 HE1 TYR 16 HE1 TYR 16 4.412 7.738 1.453 137 HE2 TYR 16 HE2 TYR 16 6.086 11.201 -0.394 138 HH TYR 16 HH TYR 16 5.737 10.983 1.832 139 H ALA 17 H ALA 17 4.589 9.085 -5.534 140 HA ALA 17 HA ALA 17 3.380 11.286 -4.184 141 1HB ALA 17 2HB ALA 17 4.233 11.046 -7.066 142 2HB ALA 17 1HB ALA 17 3.864 12.543 -6.210 143 3HB ALA 17 3HB ALA 17 5.255 11.571 -5.727 144 H GLU 18 H GLU 18 2.396 9.260 -6.948 145 HA GLU 18 HA GLU 18 -0.058 10.654 -7.360 146 1HB GLU 18 2HB GLU 18 0.822 7.904 -8.259 147 2HB GLU 18 1HB GLU 18 -0.592 8.760 -8.848 148 1HG GLU 18 2HG GLU 18 0.790 10.480 -9.813 149 2HG GLU 18 1HG GLU 18 2.236 9.742 -9.126 150 H ALA 19 H ALA 19 0.829 7.575 -5.866 151 HA ALA 19 HA ALA 19 -1.643 6.609 -5.150 152 1HB ALA 19 2HB ALA 19 -0.195 5.037 -4.504 153 2HB ALA 19 3HB ALA 19 -0.053 5.942 -2.998 154 3HB ALA 19 1HB ALA 19 1.107 6.210 -4.298 155 H LYS 20 H LYS 20 0.408 8.890 -3.372 156 HA LYS 20 HA LYS 20 -1.349 9.174 -1.157 157 1HB LYS 20 2HB LYS 20 1.176 9.734 -1.381 158 2HB LYS 20 1HB LYS 20 0.617 11.269 -2.022 159 1HG LYS 20 2HG LYS 20 -0.229 11.962 -0.010 160 2HG LYS 20 1HG LYS 20 -0.490 10.316 0.569 161 1HD LYS 20 2HD LYS 20 1.381 10.578 1.757 162 2HD LYS 20 1HD LYS 20 2.248 10.459 0.225 163 1HE LYS 20 2HE LYS 20 3.026 12.506 0.607 164 2HE LYS 20 1HE LYS 20 1.387 13.099 0.342 165 1HZ LYS 20 2HZ LYS 20 2.489 12.260 2.968 166 2HZ LYS 20 1HZ LYS 20 2.322 13.861 2.451 167 3HZ LYS 20 3HZ LYS 20 0.949 12.902 2.693 168 H ALA 21 H ALA 21 -0.726 11.145 -4.033 169 HA ALA 21 HA ALA 21 -2.312 13.317 -3.566 170 1HB ALA 21 1HB ALA 21 -2.705 13.359 -6.065 171 2HB ALA 21 3HB ALA 21 -1.022 13.286 -5.541 172 3HB ALA 21 2HB ALA 21 -1.825 11.832 -6.133 173 H VAL 22 H VAL 22 -3.384 10.212 -4.908 174 HA VAL 22 HA VAL 22 -6.103 10.964 -5.180 175 HB VAL 22 HB VAL 22 -4.669 8.335 -5.190 176 1HG1 VAL 22 2HG1 VAL 22 -7.658 8.724 -5.201 177 2HG1 VAL 22 1HG1 VAL 22 -6.845 7.237 -5.688 178 3HG1 VAL 22 3HG1 VAL 22 -6.703 7.817 -4.029 179 1HG2 VAL 22 2HG2 VAL 22 -6.230 9.944 -7.192 180 2HG2 VAL 22 1HG2 VAL 22 -4.523 9.504 -7.235 181 3HG2 VAL 22 3HG2 VAL 22 -5.759 8.269 -7.476 182 H CYS 23 H CYS 23 -4.468 8.925 -2.772 183 HA CYS 23 HA CYS 23 -6.695 8.477 -1.147 184 1HB CYS 23 2HB CYS 23 -3.747 8.534 -0.493 185 2HB CYS 23 1HB CYS 23 -4.986 7.985 0.628 186 H GLU 24 H GLU 24 -4.328 11.079 -1.173 187 HA GLU 24 HA GLU 24 -5.552 12.354 1.138 188 1HB GLU 24 2HB GLU 24 -3.084 12.325 0.867 189 2HB GLU 24 1HB GLU 24 -3.256 13.290 -0.593 190 1HG GLU 24 2HG GLU 24 -3.903 15.183 0.580 191 2HG GLU 24 1HG GLU 24 -4.359 14.259 2.010 192 H PHE 25 H PHE 25 -6.220 12.180 -2.060 193 HA PHE 25 HA PHE 25 -6.671 14.806 -2.886 194 1HB PHE 25 2HB PHE 25 -6.930 12.372 -4.045 195 2HB PHE 25 1HB PHE 25 -8.623 12.782 -3.788 196 HD1 PHE 25 HD1 PHE 25 -5.478 14.075 -5.267 197 HD2 PHE 25 HD2 PHE 25 -9.732 14.192 -5.256 198 HE1 PHE 25 HE1 PHE 25 -5.436 15.473 -7.289 199 HE2 PHE 25 HE2 PHE 25 -9.700 15.594 -7.282 200 HZ PHE 25 HZ PHE 25 -7.550 16.236 -8.299 201 H GLU 26 H GLU 26 -8.881 12.522 -1.307 202 HA GLU 26 HA GLU 26 -10.846 14.656 -0.988 203 1HB GLU 26 2HB GLU 26 -11.110 11.739 -0.267 204 2HB GLU 26 1HB GLU 26 -12.406 12.921 -0.380 205 1HG GLU 26 2HG GLU 26 -12.005 13.144 -2.772 206 2HG GLU 26 1HG GLU 26 -10.692 11.974 -2.664 207 H GLY 27 H GLY 27 -8.994 15.496 0.508 208 1HA GLY 27 1HA GLY 27 -9.971 15.674 3.079 209 2HA GLY 27 2HA GLY 27 -8.311 16.039 2.633 210 H GLY 28 H GLY 28 -8.052 13.155 1.710 211 1HA GLY 28 2HA GLY 28 -8.093 11.017 2.900 212 2HA GLY 28 1HA GLY 28 -7.834 11.917 4.388 213 H HIS 29 H HIS 29 -6.240 9.773 3.512 214 HA HIS 29 HA HIS 29 -3.835 10.868 2.362 215 1HB HIS 29 2HB HIS 29 -2.424 10.827 4.181 216 2HB HIS 29 1HB HIS 29 -3.909 11.381 4.930 217 HD1 HIS 29 HD1 HIS 29 -1.611 8.455 4.761 218 HD2 HIS 29 HD2 HIS 29 -5.082 9.580 6.756 219 HE1 HIS 29 HE1 HIS 29 -1.907 6.770 6.601 220 HE2 HIS 29 HE2 HIS 29 -3.955 7.531 7.853 221 H LEU 30 H LEU 30 -2.009 9.083 2.785 222 HA LEU 30 HA LEU 30 -3.249 6.588 1.875 223 1HB LEU 30 2HB LEU 30 -1.737 6.591 0.280 224 2HB LEU 30 1HB LEU 30 -1.083 8.098 0.885 225 HG LEU 30 HG LEU 30 0.141 6.324 2.536 226 1HD1 LEU 30 3HD1 LEU 30 -0.875 4.803 0.305 227 2HD1 LEU 30 2HD1 LEU 30 0.887 4.743 0.377 228 3HD1 LEU 30 1HD1 LEU 30 -0.071 4.248 1.773 229 1HD2 LEU 30 1HD2 LEU 30 0.850 7.725 0.041 230 2HD2 LEU 30 3HD2 LEU 30 1.614 7.776 1.629 231 3HD2 LEU 30 2HD2 LEU 30 1.944 6.431 0.534 232 H ALA 31 H ALA 31 -3.234 4.883 3.096 233 HA ALA 31 HA ALA 31 -2.539 4.786 5.723 234 1HB ALA 31 3HB ALA 31 -3.141 2.783 3.677 235 2HB ALA 31 2HB ALA 31 -2.206 2.173 5.044 236 3HB ALA 31 1HB ALA 31 -3.762 2.958 5.320 237 H THR 32 H THR 32 -0.862 3.648 6.895 238 HA THR 32 HA THR 32 1.754 3.866 5.553 239 HB THR 32 HB THR 32 2.758 4.347 7.658 240 HG1 THR 32 HG1 THR 32 1.360 4.377 9.583 241 1HG2 THR 32 3HG2 THR 32 1.430 6.179 6.527 242 2HG2 THR 32 2HG2 THR 32 0.161 5.873 7.714 243 3HG2 THR 32 1HG2 THR 32 1.754 6.415 8.244 244 H TYR 33 H TYR 33 3.251 2.579 7.507 245 HA TYR 33 HA TYR 33 2.837 -0.167 6.786 246 1HB TYR 33 2HB TYR 33 5.101 0.612 6.987 247 2HB TYR 33 1HB TYR 33 4.815 1.192 8.620 248 HD1 TYR 33 HD1 TYR 33 4.591 -2.009 6.694 249 HD2 TYR 33 HD2 TYR 33 5.615 -0.092 10.352 250 HE1 TYR 33 HE1 TYR 33 5.366 -4.157 7.593 251 HE2 TYR 33 HE2 TYR 33 6.399 -2.237 11.263 252 HH TYR 33 HH TYR 33 6.117 -5.239 9.394 253 H LYS 34 H LYS 34 3.279 1.314 9.970 254 HA LYS 34 HA LYS 34 2.324 -0.703 11.542 255 1HB LYS 34 2HB LYS 34 2.070 2.279 11.929 256 2HB LYS 34 1HB LYS 34 1.671 1.109 13.175 257 1HG LYS 34 2HG LYS 34 4.192 0.340 12.450 258 2HG LYS 34 1HG LYS 34 4.264 2.096 12.291 259 1HD LYS 34 2HD LYS 34 4.697 2.053 14.496 260 2HD LYS 34 1HD LYS 34 2.953 1.833 14.656 261 1HE LYS 34 2HE LYS 34 4.843 -0.485 14.362 262 2HE LYS 34 1HE LYS 34 4.454 0.217 15.933 263 1HZ LYS 34 2HZ LYS 34 2.483 -0.915 14.020 264 2HZ LYS 34 1HZ LYS 34 3.043 -1.679 15.422 265 3HZ LYS 34 3HZ LYS 34 2.125 -0.263 15.539 266 H GLN 35 H GLN 35 0.423 1.883 10.001 267 HA GLN 35 HA GLN 35 -2.063 1.139 11.073 268 1HB GLN 35 2HB GLN 35 -1.446 2.492 8.441 269 2HB GLN 35 1HB GLN 35 -3.012 2.463 9.233 270 1HG GLN 35 2HG GLN 35 -2.328 3.888 10.928 271 2HG GLN 35 1HG GLN 35 -0.621 3.565 10.640 272 1HE2 GLN 35 2HE2 GLN 35 -0.227 5.795 10.559 273 2HE2 GLN 35 1HE2 GLN 35 -0.630 6.729 9.163 274 H LEU 36 H LEU 36 -0.524 0.321 7.976 275 HA LEU 36 HA LEU 36 -2.547 -1.273 6.927 276 1HB LEU 36 2HB LEU 36 0.143 -0.673 6.296 277 2HB LEU 36 1HB LEU 36 0.011 -2.420 6.312 278 HG LEU 36 HG LEU 36 -0.341 -1.422 4.069 279 1HD1 LEU 36 1HD1 LEU 36 -1.844 -3.406 5.361 280 2HD1 LEU 36 3HD1 LEU 36 -2.988 -2.473 4.396 281 3HD1 LEU 36 2HD1 LEU 36 -1.580 -3.208 3.629 282 1HD2 LEU 36 2HD2 LEU 36 -2.517 -0.011 5.541 283 2HD2 LEU 36 1HD2 LEU 36 -1.390 0.606 4.333 284 3HD2 LEU 36 3HD2 LEU 36 -2.740 -0.416 3.838 285 H GLU 37 H GLU 37 -0.207 -1.913 9.415 286 HA GLU 37 HA GLU 37 -0.400 -4.730 9.479 287 1HB GLU 37 2HB GLU 37 1.382 -3.407 10.602 288 2HB GLU 37 1HB GLU 37 0.192 -2.844 11.764 289 1HG GLU 37 2HG GLU 37 -0.191 -5.432 12.090 290 2HG GLU 37 1HG GLU 37 1.464 -5.506 11.488 291 H ALA 38 H ALA 38 -1.817 -2.337 11.677 292 HA ALA 38 HA ALA 38 -3.553 -4.086 12.976 293 1HB ALA 38 3HB ALA 38 -2.952 -1.886 13.864 294 2HB ALA 38 1HB ALA 38 -4.702 -2.097 13.791 295 3HB ALA 38 2HB ALA 38 -3.880 -1.116 12.577 296 H ALA 39 H ALA 39 -3.657 -2.942 9.819 297 HA ALA 39 HA ALA 39 -6.564 -3.183 9.579 298 1HB ALA 39 3HB ALA 39 -4.533 -2.468 7.465 299 2HB ALA 39 1HB ALA 39 -5.398 -1.299 8.463 300 3HB ALA 39 2HB ALA 39 -6.287 -2.326 7.337 301 H ARG 40 H ARG 40 -3.599 -4.791 8.827 302 HA ARG 40 HA ARG 40 -4.663 -6.701 6.999 303 1HB ARG 40 2HB ARG 40 -2.331 -6.251 6.893 304 2HB ARG 40 1HB ARG 40 -2.134 -6.512 8.622 305 1HG ARG 40 2HG ARG 40 -3.188 -8.889 7.460 306 2HG ARG 40 1HG ARG 40 -1.792 -8.363 6.517 307 1HD ARG 40 2HD ARG 40 -0.336 -8.627 8.261 308 2HD ARG 40 1HD ARG 40 -1.576 -8.340 9.481 309 HE ARG 40 HE ARG 40 -2.290 -10.707 8.327 310 1HH1 ARG 40 1HH1 ARG 40 0.579 -9.491 9.883 311 2HH1 ARG 40 2HH1 ARG 40 1.063 -11.039 10.488 312 1HH2 ARG 40 1HH2 ARG 40 -1.660 -12.751 9.120 313 2HH2 ARG 40 2HH2 ARG 40 -0.209 -12.892 10.055 314 H LYS 41 H LYS 41 -4.190 -6.496 10.460 315 HA LYS 41 HA LYS 41 -4.674 -9.229 11.021 316 1HB LYS 41 2HB LYS 41 -5.121 -6.926 12.912 317 2HB LYS 41 1HB LYS 41 -4.745 -8.593 13.321 318 1HG LYS 41 2HG LYS 41 -2.573 -8.113 11.933 319 2HG LYS 41 1HG LYS 41 -2.961 -6.437 12.320 320 1HD LYS 41 2HD LYS 41 -2.683 -6.758 14.595 321 2HD LYS 41 1HD LYS 41 -2.957 -8.498 14.485 322 1HE LYS 41 2HE LYS 41 -0.809 -8.906 13.670 323 2HE LYS 41 1HE LYS 41 -0.570 -7.224 13.196 324 1HZ LYS 41 3HZ LYS 41 -1.024 -7.657 16.023 325 2HZ LYS 41 2HZ LYS 41 0.421 -8.304 15.427 326 3HZ LYS 41 1HZ LYS 41 0.095 -6.654 15.246 327 H ILE 42 H ILE 42 -6.744 -6.651 10.173 328 HA ILE 42 HA ILE 42 -9.083 -7.789 11.464 329 HB ILE 42 HB ILE 42 -10.287 -5.916 10.685 330 1HG1 ILE 42 2HG1 ILE 42 -8.229 -4.663 9.034 331 2HG1 ILE 42 1HG1 ILE 42 -8.780 -6.200 8.385 332 1HG2 ILE 42 3HG2 ILE 42 -7.463 -5.192 11.416 333 2HG2 ILE 42 2HG2 ILE 42 -8.731 -3.979 11.229 334 3HG2 ILE 42 1HG2 ILE 42 -8.888 -5.238 12.455 335 1HD1 ILE 42 1HD1 ILE 42 -10.931 -4.427 9.268 336 2HD1 ILE 42 3HD1 ILE 42 -9.965 -3.808 7.929 337 3HD1 ILE 42 2HD1 ILE 42 -10.767 -5.372 7.788 338 H GLY 43 H GLY 43 -7.400 -8.070 8.509 339 1HA GLY 43 1HA GLY 43 -9.762 -9.218 7.172 340 2HA GLY 43 2HA GLY 43 -8.279 -10.154 7.310 341 H PHE 44 H PHE 44 -6.997 -7.273 7.009 342 HA PHE 44 HA PHE 44 -7.484 -6.732 4.218 343 1HB PHE 44 2HB PHE 44 -6.871 -5.045 6.090 344 2HB PHE 44 1HB PHE 44 -5.216 -5.573 5.811 345 HD1 PHE 44 HD1 PHE 44 -6.586 -5.934 2.725 346 HD2 PHE 44 HD2 PHE 44 -5.546 -2.845 5.463 347 HE1 PHE 44 HE1 PHE 44 -6.402 -4.345 0.856 348 HE2 PHE 44 HE2 PHE 44 -5.361 -1.250 3.596 349 HZ PHE 44 HZ PHE 44 -5.790 -2.000 1.292 350 H HIS 45 H HIS 45 -6.382 -7.482 2.523 351 HA HIS 45 HA HIS 45 -3.693 -8.554 2.871 352 1HB HIS 45 2HB HIS 45 -5.080 -10.506 3.237 353 2HB HIS 45 1HB HIS 45 -6.008 -10.165 1.782 354 HD1 HIS 45 HD1 HIS 45 -4.643 -12.878 2.137 355 HD2 HIS 45 HD2 HIS 45 -2.904 -9.653 0.177 356 HE1 HIS 45 HE1 HIS 45 -2.924 -13.874 0.597 357 HE2 HIS 45 HE2 HIS 45 -1.951 -11.912 -0.645 358 H VAL 46 H VAL 46 -2.433 -7.885 1.262 359 HA VAL 46 HA VAL 46 -3.560 -7.536 -1.411 360 HB VAL 46 HB VAL 46 -1.742 -5.365 -0.505 361 1HG1 VAL 46 3HG1 VAL 46 -3.333 -5.950 -2.753 362 2HG1 VAL 46 2HG1 VAL 46 -4.050 -4.537 -1.977 363 3HG1 VAL 46 1HG1 VAL 46 -2.353 -4.512 -2.461 364 1HG2 VAL 46 3HG2 VAL 46 -4.644 -5.539 0.280 365 2HG2 VAL 46 2HG2 VAL 46 -3.250 -5.351 1.343 366 3HG2 VAL 46 1HG2 VAL 46 -3.722 -4.035 0.264 367 H CYS 47 H CYS 47 -2.348 -9.131 -2.318 368 HA CYS 47 HA CYS 47 0.385 -9.598 -1.733 369 1HB CYS 47 2HB CYS 47 -1.641 -10.844 -3.264 370 2HB CYS 47 1HB CYS 47 -0.300 -10.532 -4.362 371 H ALA 48 H ALA 48 -0.955 -7.016 -3.185 372 HA ALA 48 HA ALA 48 1.203 -6.634 -5.140 373 1HB ALA 48 1HB ALA 48 -1.225 -6.326 -5.794 374 2HB ALA 48 2HB ALA 48 -0.135 -4.995 -6.180 375 3HB ALA 48 3HB ALA 48 -1.212 -4.879 -4.787 376 H ALA 49 H ALA 49 2.631 -4.947 -4.994 377 HA ALA 49 HA ALA 49 3.327 -3.988 -2.466 378 1HB ALA 49 3HB ALA 49 5.171 -3.407 -3.556 379 2HB ALA 49 2HB ALA 49 4.387 -3.869 -5.067 380 3HB ALA 49 1HB ALA 49 4.283 -2.204 -4.492 381 H GLY 50 H GLY 50 2.224 -2.620 -1.229 382 1HA GLY 50 2HA GLY 50 0.296 -1.166 -0.979 383 2HA GLY 50 1HA GLY 50 0.686 -0.474 -2.545 384 H TRP 51 H TRP 51 1.563 1.469 -2.472 385 HA TRP 51 HA TRP 51 3.797 2.225 -1.040 386 1HB TRP 51 2HB TRP 51 1.555 3.778 -2.285 387 2HB TRP 51 1HB TRP 51 2.810 4.616 -1.377 388 HD1 TRP 51 HD1 TRP 51 2.071 3.275 -4.754 389 HE1 TRP 51 HE1 TRP 51 4.172 3.401 -6.243 390 HE3 TRP 51 HE3 TRP 51 5.555 4.307 -1.158 391 HZ2 TRP 51 HZ2 TRP 51 6.939 3.878 -5.930 392 HZ3 TRP 51 HZ3 TRP 51 7.903 4.584 -1.833 393 HH2 TRP 51 HH2 TRP 51 8.580 4.373 -4.170 394 H MET 52 H MET 52 3.922 3.984 0.618 395 HA MET 52 HA MET 52 1.773 4.332 2.459 396 1HB MET 52 2HB MET 52 3.332 3.300 4.353 397 2HB MET 52 1HB MET 52 2.140 2.332 3.499 398 1HG MET 52 2HG MET 52 3.848 1.469 2.024 399 2HG MET 52 1HG MET 52 5.059 2.498 2.787 400 1HE MET 52 1HE MET 52 2.477 -0.057 3.092 401 2HE MET 52 3HE MET 52 3.389 -1.424 3.733 402 3HE MET 52 2HE MET 52 2.449 -0.402 4.821 403 H ALA 53 H ALA 53 2.670 5.432 4.539 404 HA ALA 53 HA ALA 53 3.872 7.813 3.855 405 1HB ALA 53 3HB ALA 53 4.505 7.813 6.409 406 2HB ALA 53 1HB ALA 53 3.476 6.382 6.432 407 3HB ALA 53 2HB ALA 53 2.825 7.927 5.884 408 H LYS 54 H LYS 54 5.962 8.687 4.739 409 HA LYS 54 HA LYS 54 8.233 8.671 4.969 410 1HB LYS 54 2HB LYS 54 7.504 6.028 5.764 411 2HB LYS 54 1HB LYS 54 8.941 5.925 4.761 412 1HG LYS 54 2HG LYS 54 10.082 6.357 6.617 413 2HG LYS 54 1HG LYS 54 9.522 8.019 6.440 414 1HD LYS 54 2HD LYS 54 7.576 6.268 7.733 415 2HD LYS 54 1HD LYS 54 9.094 6.411 8.622 416 1HE LYS 54 2HE LYS 54 8.162 8.969 7.617 417 2HE LYS 54 1HE LYS 54 6.979 8.197 8.672 418 1HZ LYS 54 2HZ LYS 54 9.825 8.690 9.362 419 2HZ LYS 54 1HZ LYS 54 8.513 9.610 9.903 420 3HZ LYS 54 3HZ LYS 54 8.665 7.993 10.375 421 H GLY 55 H GLY 55 6.675 6.708 2.551 422 1HA GLY 55 1HA GLY 55 8.784 7.498 0.651 423 2HA GLY 55 2HA GLY 55 7.114 7.133 0.225 424 H ARG 56 H ARG 56 7.371 4.800 2.211 425 HA ARG 56 HA ARG 56 8.979 3.004 0.533 426 1HB ARG 56 2HB ARG 56 9.124 1.529 2.401 427 2HB ARG 56 1HB ARG 56 9.462 3.146 3.003 428 1HG ARG 56 2HG ARG 56 7.113 3.293 3.782 429 2HG ARG 56 1HG ARG 56 6.889 1.611 3.292 430 1HD ARG 56 2HD ARG 56 7.771 0.903 5.202 431 2HD ARG 56 1HD ARG 56 9.249 1.811 4.885 432 HE ARG 56 HE ARG 56 7.482 3.674 5.817 433 1HH1 ARG 56 1HH1 ARG 56 8.742 0.651 7.003 434 2HH1 ARG 56 2HH1 ARG 56 8.616 1.103 8.669 435 1HH2 ARG 56 1HH2 ARG 56 7.312 4.280 8.010 436 2HH2 ARG 56 2HH2 ARG 56 7.803 3.167 9.243 437 H VAL 57 H VAL 57 8.104 0.860 0.085 438 HA VAL 57 HA VAL 57 5.194 0.649 0.217 439 HB VAL 57 HB VAL 57 5.188 1.459 -1.910 440 1HG1 VAL 57 3HG1 VAL 57 7.994 0.514 -1.995 441 2HG1 VAL 57 2HG1 VAL 57 7.142 0.706 -3.527 442 3HG1 VAL 57 1HG1 VAL 57 7.308 2.080 -2.432 443 1HG2 VAL 57 3HG2 VAL 57 4.289 -0.801 -2.020 444 2HG2 VAL 57 2HG2 VAL 57 5.082 -0.370 -3.535 445 3HG2 VAL 57 1HG2 VAL 57 5.894 -1.432 -2.386 446 H GLY 58 H GLY 58 4.643 -1.290 0.941 447 1HA GLY 58 2HA GLY 58 5.720 -3.331 1.946 448 2HA GLY 58 1HA GLY 58 6.428 -3.572 0.356 449 H TYR 59 H TYR 59 4.989 -5.606 1.438 450 HA TYR 59 HA TYR 59 2.284 -5.441 0.362 451 1HB TYR 59 2HB TYR 59 3.234 -7.923 -0.575 452 2HB TYR 59 1HB TYR 59 2.750 -6.527 -1.534 453 HD1 TYR 59 HD1 TYR 59 4.512 -4.800 -2.119 454 HD2 TYR 59 HD2 TYR 59 5.485 -8.618 -0.515 455 HE1 TYR 59 HE1 TYR 59 6.811 -4.555 -2.950 456 HE2 TYR 59 HE2 TYR 59 7.789 -8.383 -1.343 457 HH TYR 59 HH TYR 59 8.921 -7.029 -3.279 458 HA PRO 60 HA PRO 60 2.328 -7.879 4.226 459 1HB PRO 60 2HB PRO 60 -0.047 -6.960 5.130 460 2HB PRO 60 1HB PRO 60 1.459 -6.065 5.341 461 1HG PRO 60 2HG PRO 60 -0.729 -5.658 3.353 462 2HG PRO 60 1HG PRO 60 0.225 -4.454 4.234 463 1HD PRO 60 2HD PRO 60 0.690 -5.173 1.629 464 2HD PRO 60 1HD PRO 60 1.932 -4.521 2.714 465 H ILE 61 H ILE 61 1.540 -9.891 4.406 466 HA ILE 61 HA ILE 61 -0.899 -10.583 2.902 467 HB ILE 61 HB ILE 61 1.477 -12.412 3.245 468 1HG1 ILE 61 1HG1 ILE 61 2.060 -10.494 1.812 469 2HG1 ILE 61 2HG1 ILE 61 1.977 -11.990 0.887 470 1HG2 ILE 61 3HG2 ILE 61 -0.959 -13.253 2.892 471 2HG2 ILE 61 2HG2 ILE 61 -0.699 -12.735 1.226 472 3HG2 ILE 61 1HG2 ILE 61 0.355 -13.953 1.947 473 1HD1 ILE 61 1HD1 ILE 61 -0.435 -11.253 0.352 474 2HD1 ILE 61 3HD1 ILE 61 0.115 -9.660 0.871 475 3HD1 ILE 61 2HD1 ILE 61 0.910 -10.472 -0.479 476 H VAL 62 H VAL 62 -2.285 -12.070 3.843 477 HA VAL 62 HA VAL 62 -1.862 -12.495 6.711 478 HB VAL 62 HB VAL 62 -4.312 -13.203 6.640 479 1HG1 VAL 62 3HG1 VAL 62 -3.228 -10.876 7.207 480 2HG1 VAL 62 2HG1 VAL 62 -4.074 -10.373 5.744 481 3HG1 VAL 62 1HG1 VAL 62 -4.978 -11.058 7.094 482 1HG2 VAL 62 1HG2 VAL 62 -3.845 -12.552 3.821 483 2HG2 VAL 62 3HG2 VAL 62 -5.086 -13.562 4.564 484 3HG2 VAL 62 2HG2 VAL 62 -5.289 -11.811 4.513 485 H LYS 63 H LYS 63 -2.751 -14.271 3.770 486 HA LYS 63 HA LYS 63 -2.063 -16.770 5.171 487 1HB LYS 63 2HB LYS 63 -4.306 -16.067 3.390 488 2HB LYS 63 1HB LYS 63 -3.545 -17.614 3.057 489 1HG LYS 63 2HG LYS 63 -4.155 -17.100 5.886 490 2HG LYS 63 1HG LYS 63 -5.551 -17.258 4.818 491 1HD LYS 63 2HD LYS 63 -3.689 -19.296 4.148 492 2HD LYS 63 1HD LYS 63 -3.906 -19.306 5.898 493 1HE LYS 63 2HE LYS 63 -6.275 -19.173 4.075 494 2HE LYS 63 1HE LYS 63 -5.490 -20.716 4.406 495 1HZ LYS 63 1HZ LYS 63 -6.409 -18.914 6.568 496 2HZ LYS 63 3HZ LYS 63 -7.413 -20.092 5.885 497 3HZ LYS 63 2HZ LYS 63 -5.992 -20.550 6.678 498 HA PRO 64 HA PRO 64 1.193 -16.340 1.985 499 1HB PRO 64 2HB PRO 64 2.884 -18.090 3.242 500 2HB PRO 64 1HB PRO 64 2.806 -16.364 3.602 501 1HG PRO 64 2HG PRO 64 1.577 -18.665 5.058 502 2HG PRO 64 1HG PRO 64 2.353 -17.211 5.709 503 1HD PRO 64 2HD PRO 64 -0.332 -17.497 5.605 504 2HD PRO 64 1HD PRO 64 0.463 -15.920 5.424 505 H GLY 65 H GLY 65 1.244 -17.522 0.179 506 1HA GLY 65 2HA GLY 65 -0.101 -19.411 -0.842 507 2HA GLY 65 1HA GLY 65 0.667 -20.411 0.381 508 HA PRO 66 HA PRO 66 3.422 -21.083 -3.135 509 1HB PRO 66 2HB PRO 66 2.454 -20.433 -5.588 510 2HB PRO 66 1HB PRO 66 1.933 -21.866 -4.696 511 1HG PRO 66 2HG PRO 66 0.594 -19.201 -4.956 512 2HG PRO 66 1HG PRO 66 -0.120 -20.823 -5.025 513 1HD PRO 66 2HD PRO 66 -0.239 -19.269 -2.808 514 2HD PRO 66 1HD PRO 66 -0.159 -21.041 -2.731 515 H ASN 67 H ASN 67 2.163 -18.483 -5.124 516 HA ASN 67 HA ASN 67 4.741 -17.135 -4.947 517 1HB ASN 67 2HB ASN 67 4.395 -16.645 -7.102 518 2HB ASN 67 1HB ASN 67 2.901 -17.574 -7.028 519 1HD2 ASN 67 1HD2 ASN 67 0.943 -16.461 -6.540 520 2HD2 ASN 67 2HD2 ASN 67 0.782 -14.780 -6.907 521 H CYS 68 H CYS 68 1.577 -16.861 -3.712 522 HA CYS 68 HA CYS 68 1.662 -14.005 -3.292 523 1HB CYS 68 2HB CYS 68 -0.362 -15.910 -3.375 524 2HB CYS 68 1HB CYS 68 -0.281 -15.455 -1.676 525 H GLY 69 H GLY 69 3.169 -16.573 -1.855 526 1HA GLY 69 1HA GLY 69 2.912 -15.816 0.904 527 2HA GLY 69 2HA GLY 69 4.393 -15.207 0.176 528 H PHE 70 H PHE 70 5.558 -16.998 -1.176 529 HA PHE 70 HA PHE 70 5.362 -19.681 -0.725 530 1HB PHE 70 2HB PHE 70 7.079 -18.265 -2.120 531 2HB PHE 70 1HB PHE 70 8.083 -18.434 -0.685 532 HD1 PHE 70 HD1 PHE 70 5.889 -20.659 -2.732 533 HD2 PHE 70 HD2 PHE 70 9.642 -20.095 -0.808 534 HE1 PHE 70 HE1 PHE 70 6.614 -22.880 -3.505 535 HE2 PHE 70 HE2 PHE 70 10.375 -22.314 -1.578 536 HZ PHE 70 HZ PHE 70 8.859 -23.710 -2.928 537 H GLY 71 H GLY 71 6.501 -17.233 1.478 538 1HA GLY 71 1HA GLY 71 7.888 -18.862 3.304 539 2HA GLY 71 2HA GLY 71 6.186 -18.841 3.755 540 H LYS 72 H LYS 72 5.995 -16.052 2.594 541 HA LYS 72 HA LYS 72 7.603 -14.522 4.482 542 1HB LYS 72 2HB LYS 72 5.608 -13.355 2.562 543 2HB LYS 72 1HB LYS 72 7.046 -12.607 3.246 544 1HG LYS 72 2HG LYS 72 8.469 -13.704 1.791 545 2HG LYS 72 1HG LYS 72 7.302 -14.985 1.457 546 1HD LYS 72 2HD LYS 72 6.218 -13.773 -0.125 547 2HD LYS 72 1HD LYS 72 6.506 -12.240 0.699 548 1HE LYS 72 2HE LYS 72 8.564 -11.947 -0.269 549 2HE LYS 72 1HE LYS 72 8.828 -13.677 -0.483 550 1HZ LYS 72 1HZ LYS 72 6.765 -12.222 -2.021 551 2HZ LYS 72 3HZ LYS 72 8.369 -12.312 -2.551 552 3HZ LYS 72 2HZ LYS 72 7.462 -13.725 -2.358 553 H THR 73 H THR 73 6.716 -13.091 6.007 554 HA THR 73 HA THR 73 3.867 -13.374 6.596 555 HB THR 73 HB THR 73 4.894 -13.359 9.103 556 HG1 THR 73 HG1 THR 73 6.999 -13.831 7.796 557 1HG2 THR 73 1HG2 THR 73 4.066 -15.598 7.292 558 2HG2 THR 73 3HG2 THR 73 4.530 -15.916 8.964 559 3HG2 THR 73 2HG2 THR 73 3.167 -14.852 8.614 560 H GLY 74 H GLY 74 2.946 -11.474 7.058 561 1HA GLY 74 2HA GLY 74 4.506 -9.365 8.341 562 2HA GLY 74 1HA GLY 74 2.764 -9.371 8.101 563 H ILE 75 H ILE 75 4.071 -7.082 7.564 564 HA ILE 75 HA ILE 75 3.472 -6.671 4.804 565 HB ILE 75 HB ILE 75 4.951 -4.723 6.552 566 1HG1 ILE 75 2HG1 ILE 75 2.310 -5.833 6.957 567 2HG1 ILE 75 1HG1 ILE 75 3.226 -4.736 7.981 568 1HG2 ILE 75 3HG2 ILE 75 4.346 -4.529 3.959 569 2HG2 ILE 75 2HG2 ILE 75 2.844 -3.910 4.646 570 3HG2 ILE 75 1HG2 ILE 75 4.379 -3.140 5.047 571 1HD1 ILE 75 2HD1 ILE 75 2.450 -2.879 6.460 572 2HD1 ILE 75 1HD1 ILE 75 1.331 -4.051 5.764 573 3HD1 ILE 75 3HD1 ILE 75 1.221 -3.634 7.475 574 H ILE 76 H ILE 76 4.812 -7.645 3.392 575 HA ILE 76 HA ILE 76 7.631 -7.836 3.759 576 HB ILE 76 HB ILE 76 6.225 -8.129 1.119 577 1HG1 ILE 76 1HG1 ILE 76 4.885 -9.410 2.642 578 2HG1 ILE 76 2HG1 ILE 76 5.911 -10.539 1.763 579 1HG2 ILE 76 3HG2 ILE 76 8.852 -8.333 1.771 580 2HG2 ILE 76 2HG2 ILE 76 8.321 -10.007 1.941 581 3HG2 ILE 76 1HG2 ILE 76 8.088 -9.160 0.412 582 1HD1 ILE 76 2HD1 ILE 76 6.796 -9.500 4.411 583 2HD1 ILE 76 1HD1 ILE 76 5.594 -10.789 4.322 584 3HD1 ILE 76 3HD1 ILE 76 7.190 -11.020 3.609 585 H ASP 77 H ASP 77 8.175 -5.614 4.143 586 HA ASP 77 HA ASP 77 8.202 -3.952 1.712 587 1HB ASP 77 2HB ASP 77 7.051 -2.697 3.308 588 2HB ASP 77 1HB ASP 77 8.061 -3.267 4.630 589 H TYR 78 H TYR 78 10.106 -3.209 0.918 590 HA TYR 78 HA TYR 78 12.540 -4.201 2.230 591 1HB TYR 78 2HB TYR 78 12.078 -3.379 -0.646 592 2HB TYR 78 1HB TYR 78 13.602 -3.969 0.008 593 HD1 TYR 78 HD1 TYR 78 10.039 -5.100 0.213 594 HD2 TYR 78 HD2 TYR 78 14.073 -6.112 -0.682 595 HE1 TYR 78 HE1 TYR 78 9.345 -7.410 -0.266 596 HE2 TYR 78 HE2 TYR 78 13.390 -8.425 -1.166 597 HH TYR 78 HH TYR 78 11.046 -9.529 -1.951 598 H GLY 79 H GLY 79 11.114 -1.729 2.956 599 1HA GLY 79 2HA GLY 79 13.357 -0.023 3.230 600 2HA GLY 79 1HA GLY 79 11.689 0.397 3.615 601 H ILE 80 H ILE 80 12.628 2.502 2.733 602 HA ILE 80 HA ILE 80 11.534 2.941 0.147 603 HB ILE 80 HB ILE 80 13.345 4.818 1.665 604 1HG1 ILE 80 1HG1 ILE 80 10.347 4.867 1.832 605 2HG1 ILE 80 2HG1 ILE 80 11.277 3.832 2.909 606 1HG2 ILE 80 3HG2 ILE 80 12.240 5.017 -0.854 607 2HG2 ILE 80 2HG2 ILE 80 11.128 5.938 0.160 608 3HG2 ILE 80 1HG2 ILE 80 12.842 6.353 0.129 609 1HD1 ILE 80 3HD1 ILE 80 12.169 6.627 2.758 610 2HD1 ILE 80 2HD1 ILE 80 10.584 6.358 3.482 611 3HD1 ILE 80 1HD1 ILE 80 12.005 5.554 4.148 612 H ARG 81 H ARG 81 12.462 2.522 -1.738 613 HA ARG 81 HA ARG 81 15.297 1.989 -1.905 614 1HB ARG 81 2HB ARG 81 13.315 2.063 -4.179 615 2HB ARG 81 1HB ARG 81 14.867 1.236 -4.134 616 1HG ARG 81 2HG ARG 81 12.587 0.529 -2.310 617 2HG ARG 81 1HG ARG 81 12.827 -0.217 -3.891 618 1HD ARG 81 2HD ARG 81 14.965 -0.172 -1.777 619 2HD ARG 81 1HD ARG 81 13.769 -1.462 -1.890 620 HE ARG 81 HE ARG 81 14.772 -1.405 -4.379 621 1HH1 ARG 81 2HH1 ARG 81 16.299 -1.474 -1.250 622 2HH1 ARG 81 1HH1 ARG 81 17.693 -2.338 -1.804 623 1HH2 ARG 81 2HH2 ARG 81 16.604 -2.544 -5.121 624 2HH2 ARG 81 1HH2 ARG 81 17.866 -2.947 -4.006 625 H LEU 82 H LEU 82 13.993 4.772 -1.524 626 HA LEU 82 HA LEU 82 14.371 6.921 -2.169 627 1HB LEU 82 2HB LEU 82 16.782 5.682 -1.912 628 2HB LEU 82 1HB LEU 82 16.894 6.304 -3.544 629 HG LEU 82 HG LEU 82 17.888 7.873 -1.996 630 1HD1 LEU 82 2HD1 LEU 82 15.650 8.502 -3.694 631 2HD1 LEU 82 1HD1 LEU 82 15.771 9.649 -2.361 632 3HD1 LEU 82 3HD1 LEU 82 17.149 9.393 -3.432 633 1HD2 LEU 82 1HD2 LEU 82 16.059 7.027 -0.193 634 2HD2 LEU 82 3HD2 LEU 82 17.013 8.501 -0.023 635 3HD2 LEU 82 2HD2 LEU 82 15.370 8.582 -0.659 636 H ASN 83 H ASN 83 12.754 5.559 -3.932 637 HA ASN 83 HA ASN 83 13.058 7.138 -6.292 638 1HB ASN 83 2HB ASN 83 14.535 4.920 -6.481 639 2HB ASN 83 1HB ASN 83 12.985 4.238 -6.963 640 1HD2 ASN 83 1HD2 ASN 83 14.397 7.431 -7.542 641 2HD2 ASN 83 2HD2 ASN 83 14.341 7.334 -9.266 642 H ARG 84 H ARG 84 10.995 7.786 -5.462 643 HA ARG 84 HA ARG 84 8.826 5.974 -5.196 644 1HB ARG 84 2HB ARG 84 8.227 8.797 -5.848 645 2HB ARG 84 1HB ARG 84 7.607 7.784 -4.552 646 1HG ARG 84 2HG ARG 84 8.958 8.780 -3.121 647 2HG ARG 84 1HG ARG 84 10.356 8.233 -4.049 648 1HD ARG 84 2HD ARG 84 9.403 10.349 -5.533 649 2HD ARG 84 1HD ARG 84 9.145 10.876 -3.870 650 HE ARG 84 HE ARG 84 11.571 10.358 -3.538 651 1HH1 ARG 84 2HH1 ARG 84 10.303 11.141 -6.686 652 2HH1 ARG 84 1HH1 ARG 84 11.811 11.748 -7.285 653 1HH2 ARG 84 2HH2 ARG 84 13.562 11.156 -4.318 654 2HH2 ARG 84 1HH2 ARG 84 13.662 11.756 -5.940 655 H SER 85 H SER 85 10.474 6.831 -7.886 656 HA SER 85 HA SER 85 8.315 7.262 -9.719 657 1HB SER 85 2HB SER 85 11.043 7.650 -9.813 658 2HB SER 85 1HB SER 85 10.811 6.266 -10.882 659 HG SER 85 HG SER 85 9.781 7.494 -12.265 660 H GLU 86 H GLU 86 8.692 4.695 -7.977 661 HA GLU 86 HA GLU 86 8.862 2.591 -9.919 662 1HB GLU 86 2HB GLU 86 8.244 2.731 -6.988 663 2HB GLU 86 1HB GLU 86 7.938 1.249 -7.881 664 1HG GLU 86 2HG GLU 86 10.596 2.418 -8.296 665 2HG GLU 86 1HG GLU 86 10.269 1.857 -6.657 666 H ARG 87 H ARG 87 6.922 0.843 -9.543 667 HA ARG 87 HA ARG 87 4.383 2.275 -9.876 668 1HB ARG 87 2HB ARG 87 3.845 0.613 -11.720 669 2HB ARG 87 1HB ARG 87 4.976 1.899 -12.115 670 1HG ARG 87 2HG ARG 87 6.571 -0.173 -11.187 671 2HG ARG 87 1HG ARG 87 5.343 -0.959 -12.178 672 1HD ARG 87 2HD ARG 87 6.956 1.416 -13.086 673 2HD ARG 87 1HD ARG 87 7.414 -0.256 -13.407 674 HE ARG 87 HE ARG 87 4.778 0.139 -14.273 675 1HH1 ARG 87 2HH1 ARG 87 8.026 1.101 -15.080 676 2HH1 ARG 87 1HH1 ARG 87 7.684 1.311 -16.765 677 1HH2 ARG 87 1HH2 ARG 87 4.315 0.412 -16.489 678 2HH2 ARG 87 2HH2 ARG 87 5.573 0.920 -17.566 679 H TRP 88 H TRP 88 3.079 1.571 -8.367 680 HA TRP 88 HA TRP 88 2.564 -1.261 -8.048 681 1HB TRP 88 2HB TRP 88 3.147 0.267 -5.528 682 2HB TRP 88 1HB TRP 88 3.097 -1.473 -5.779 683 HD1 TRP 88 HD1 TRP 88 5.457 1.410 -5.645 684 HE1 TRP 88 HE1 TRP 88 7.846 0.613 -6.180 685 HE3 TRP 88 HE3 TRP 88 4.382 -3.279 -7.377 686 HZ2 TRP 88 HZ2 TRP 88 9.108 -1.697 -7.202 687 HZ3 TRP 88 HZ3 TRP 88 6.237 -4.720 -8.112 688 HH2 TRP 88 HH2 TRP 88 8.550 -3.943 -8.026 689 H ASP 89 H ASP 89 1.108 -1.009 -5.624 690 HA ASP 89 HA ASP 89 -1.216 0.439 -6.627 691 1HB ASP 89 2HB ASP 89 -1.735 -0.863 -4.128 692 2HB ASP 89 1HB ASP 89 -2.382 -1.243 -5.723 693 H ALA 90 H ALA 90 -2.577 1.094 -4.373 694 HA ALA 90 HA ALA 90 -0.790 2.771 -2.769 695 1HB ALA 90 3HB ALA 90 -1.463 4.228 -4.551 696 2HB ALA 90 1HB ALA 90 -2.304 4.712 -3.079 697 3HB ALA 90 2HB ALA 90 -3.158 3.799 -4.322 698 H TYR 91 H TYR 91 -1.300 2.736 -0.675 699 HA TYR 91 HA TYR 91 -3.784 1.449 0.142 700 1HB TYR 91 2HB TYR 91 -1.210 2.149 1.526 701 2HB TYR 91 1HB TYR 91 -2.648 1.776 2.465 702 HD1 TYR 91 HD1 TYR 91 -3.898 -0.467 1.406 703 HD2 TYR 91 HD2 TYR 91 0.267 0.408 1.359 704 HE1 TYR 91 HE1 TYR 91 -3.400 -2.865 1.206 705 HE2 TYR 91 HE2 TYR 91 0.773 -1.988 1.158 706 HH TYR 91 HH TYR 91 -0.780 -4.119 0.147 707 H CYS 92 H CYS 92 -5.488 2.790 0.236 708 HA CYS 92 HA CYS 92 -5.116 5.578 0.965 709 1HB CYS 92 2HB CYS 92 -7.330 3.958 -0.204 710 2HB CYS 92 1HB CYS 92 -7.750 5.442 0.643 711 H TYR 93 H TYR 93 -6.143 6.611 2.678 712 HA TYR 93 HA TYR 93 -7.306 4.913 4.760 713 1HB TYR 93 2HB TYR 93 -4.889 5.273 5.255 714 2HB TYR 93 1HB TYR 93 -5.181 7.009 5.263 715 HD1 TYR 93 HD1 TYR 93 -5.776 3.854 7.055 716 HD2 TYR 93 HD2 TYR 93 -6.269 8.075 7.103 717 HE1 TYR 93 HE1 TYR 93 -6.363 3.754 9.444 718 HE2 TYR 93 HE2 TYR 93 -6.845 7.996 9.481 719 HH TYR 93 HH TYR 93 -7.872 6.118 11.068 720 H ASN 94 H ASN 94 -9.081 5.804 5.667 721 HA ASN 94 HA ASN 94 -9.628 8.618 4.996 722 1HB ASN 94 2HB ASN 94 -11.391 6.203 5.013 723 2HB ASN 94 1HB ASN 94 -12.095 7.789 5.321 724 1HD2 ASN 94 2HD2 ASN 94 -9.775 8.781 3.513 725 2HD2 ASN 94 1HD2 ASN 94 -10.421 8.575 1.924 726 HA PRO 95 HA PRO 95 -9.663 8.508 9.604 727 1HB PRO 95 2HB PRO 95 -8.281 10.801 9.944 728 2HB PRO 95 1HB PRO 95 -7.468 9.255 9.669 729 1HG PRO 95 2HG PRO 95 -8.002 11.491 7.762 730 2HG PRO 95 1HG PRO 95 -6.565 10.465 7.911 731 1HD PRO 95 2HD PRO 95 -8.528 10.118 6.017 732 2HD PRO 95 1HD PRO 95 -7.459 8.825 6.595 733 H HIS 96 H HIS 96 -9.694 11.491 7.703 734 HA HIS 96 HA HIS 96 -12.327 12.170 8.818 735 1HB HIS 96 2HB HIS 96 -10.465 13.559 9.792 736 2HB HIS 96 1HB HIS 96 -10.130 14.149 8.167 737 HD1 HIS 96 HD1 HIS 96 -10.701 16.567 9.005 738 HD2 HIS 96 HD2 HIS 96 -13.864 13.878 9.134 739 HE1 HIS 96 HE1 HIS 96 -12.764 17.971 9.316 740 HE2 HIS 96 HE2 HIS 96 -14.657 16.316 9.473 741 H ALA 97 H ALA 97 -10.917 11.042 6.257 742 HA ALA 97 HA ALA 97 -11.678 12.874 4.185 743 1HB ALA 97 3HB ALA 97 -10.214 10.381 4.389 744 2HB ALA 97 1HB ALA 97 -10.104 11.657 3.177 745 3HB ALA 97 2HB ALA 97 -11.311 10.383 3.008 746 H LYS 98 H LYS 98 -13.923 12.703 5.541 747 HA LYS 98 HA LYS 98 -15.663 11.101 3.807 748 1HB LYS 98 2HB LYS 98 -15.200 10.557 6.543 749 2HB LYS 98 1HB LYS 98 -16.811 11.253 6.434 750 1HG LYS 98 2HG LYS 98 -15.870 8.946 4.748 751 2HG LYS 98 1HG LYS 98 -16.727 8.765 6.279 752 1HD LYS 98 2HD LYS 98 -17.949 10.546 4.250 753 2HD LYS 98 1HD LYS 98 -17.979 8.813 3.920 754 1HE LYS 98 2HE LYS 98 -18.708 9.287 6.649 755 2HE LYS 98 1HE LYS 98 -19.701 10.287 5.588 756 1HZ LYS 98 3HZ LYS 98 -19.988 8.114 4.268 757 2HZ LYS 98 2HZ LYS 98 -19.487 7.352 5.692 758 3HZ LYS 98 1HZ LYS 98 -20.873 8.321 5.695 No H/Q in entry = 758 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -9.430 3.029 9.266 2 H2 GLY 1 3H GLY 1 -10.182 4.536 9.423 3 H3 GLY 1 2H GLY 1 -10.942 3.146 10.014 4 1HA GLY 1 1HA GLY 1 -11.673 4.159 7.751 5 2HA GLY 1 2HA GLY 1 -11.593 2.419 7.969 6 H VAL 2 H VAL 2 -8.940 1.898 7.809 7 HA VAL 2 HA VAL 2 -7.851 3.148 5.430 8 HB VAL 2 HB VAL 2 -6.166 2.700 6.969 9 1HG1 VAL 2 2HG1 VAL 2 -7.881 0.579 7.793 10 2HG1 VAL 2 1HG1 VAL 2 -6.255 -0.056 7.542 11 3HG1 VAL 2 3HG1 VAL 2 -6.512 1.297 8.644 12 1HG2 VAL 2 1HG2 VAL 2 -6.014 1.553 4.542 13 2HG2 VAL 2 3HG2 VAL 2 -4.692 1.555 5.709 14 3HG2 VAL 2 2HG2 VAL 2 -5.742 0.145 5.570 15 H TYR 3 H TYR 3 -7.435 2.106 3.479 16 HA TYR 3 HA TYR 3 -8.256 -0.630 3.089 17 1HB TYR 3 2HB TYR 3 -9.912 -0.118 1.321 18 2HB TYR 3 1HB TYR 3 -10.426 0.420 2.913 19 HD1 TYR 3 HD1 TYR 3 -9.971 2.923 3.482 20 HD2 TYR 3 HD2 TYR 3 -9.989 1.350 -0.472 21 HE1 TYR 3 HE1 TYR 3 -10.360 5.183 2.590 22 HE2 TYR 3 HE2 TYR 3 -10.377 3.604 -1.374 23 HH TYR 3 HH TYR 3 -9.798 6.123 -0.341 24 H HIS 4 H HIS 4 -8.208 -1.112 0.604 25 HA HIS 4 HA HIS 4 -5.653 -0.045 -0.342 26 1HB HIS 4 2HB HIS 4 -5.962 -2.513 -0.079 27 2HB HIS 4 1HB HIS 4 -7.179 -2.450 -1.349 28 HD1 HIS 4 HD1 HIS 4 -6.342 -2.826 -3.647 29 HD2 HIS 4 HD2 HIS 4 -3.323 -1.573 -1.082 30 HE1 HIS 4 HE1 HIS 4 -4.226 -2.916 -5.004 31 HE2 HIS 4 HE2 HIS 4 -2.402 -2.228 -3.408 32 H ARG 5 H ARG 5 -5.386 0.224 -2.700 33 HA ARG 5 HA ARG 5 -7.689 0.711 -4.331 34 1HB ARG 5 2HB ARG 5 -6.442 2.893 -2.821 35 2HB ARG 5 1HB ARG 5 -6.595 3.215 -4.542 36 1HG ARG 5 2HG ARG 5 -8.992 2.125 -3.222 37 2HG ARG 5 1HG ARG 5 -8.512 3.755 -2.743 38 1HD ARG 5 2HD ARG 5 -8.262 3.891 -5.447 39 2HD ARG 5 1HD ARG 5 -9.618 2.777 -5.279 40 HE ARG 5 HE ARG 5 -10.199 4.858 -3.597 41 1HH1 ARG 5 1HH1 ARG 5 -9.503 4.524 -6.992 42 2HH1 ARG 5 2HH1 ARG 5 -10.474 5.880 -7.457 43 1HH2 ARG 5 2HH2 ARG 5 -11.481 6.645 -4.198 44 2HH2 ARG 5 1HH2 ARG 5 -11.600 7.086 -5.868 45 H GLU 6 H GLU 6 -7.165 0.967 -6.509 46 HA GLU 6 HA GLU 6 -4.316 0.568 -7.136 47 1HB GLU 6 2HB GLU 6 -4.918 -0.722 -8.990 48 2HB GLU 6 1HB GLU 6 -6.064 -1.213 -7.754 49 1HG GLU 6 2HG GLU 6 -6.668 0.857 -9.844 50 2HG GLU 6 1HG GLU 6 -7.028 -0.858 -10.033 51 H ALA 7 H ALA 7 -4.317 1.086 -9.804 52 HA ALA 7 HA ALA 7 -4.630 3.993 -9.822 53 1HB ALA 7 1HB ALA 7 -3.151 3.951 -11.769 54 2HB ALA 7 2HB ALA 7 -3.149 2.187 -11.732 55 3HB ALA 7 3HB ALA 7 -2.436 3.098 -10.401 56 H ARG 8 H ARG 8 -5.638 5.103 -11.541 57 HA ARG 8 HA ARG 8 -8.093 4.157 -12.368 58 1HB ARG 8 2HB ARG 8 -6.295 6.330 -13.374 59 2HB ARG 8 1HB ARG 8 -7.762 5.941 -14.263 60 1HG ARG 8 2HG ARG 8 -8.466 7.637 -12.881 61 2HG ARG 8 1HG ARG 8 -8.927 6.204 -11.964 62 1HD ARG 8 2HD ARG 8 -7.663 6.847 -10.258 63 2HD ARG 8 1HD ARG 8 -6.242 6.909 -11.300 64 HE ARG 8 HE ARG 8 -6.781 9.217 -11.769 65 1HH1 ARG 8 1HH1 ARG 8 -8.501 7.738 -9.127 66 2HH1 ARG 8 2HH1 ARG 8 -8.896 9.246 -8.369 67 1HH2 ARG 8 1HH2 ARG 8 -7.296 11.208 -10.780 68 2HH2 ARG 8 2HH2 ARG 8 -8.213 11.218 -9.309 69 H SER 9 H SER 9 -4.967 3.576 -13.734 70 HA SER 9 HA SER 9 -6.085 2.499 -16.198 71 1HB SER 9 2HB SER 9 -3.237 2.853 -15.248 72 2HB SER 9 1HB SER 9 -3.668 2.100 -16.783 73 HG SER 9 HG SER 9 -3.188 4.456 -16.757 74 H GLY 10 H GLY 10 -4.125 1.376 -13.455 75 1HA GLY 10 2HA GLY 10 -4.131 -1.332 -14.270 76 2HA GLY 10 1HA GLY 10 -5.401 -1.043 -13.095 77 H LYS 11 H LYS 11 -3.955 -2.738 -12.029 78 HA LYS 11 HA LYS 11 -2.655 -1.594 -9.837 79 1HB LYS 11 2HB LYS 11 -3.554 -3.798 -9.638 80 2HB LYS 11 1HB LYS 11 -2.580 -4.387 -10.979 81 1HG LYS 11 2HG LYS 11 -0.718 -3.420 -9.165 82 2HG LYS 11 1HG LYS 11 -1.942 -4.209 -8.166 83 1HD LYS 11 2HD LYS 11 -1.569 -5.955 -10.289 84 2HD LYS 11 1HD LYS 11 0.055 -5.374 -9.917 85 1HE LYS 11 2HE LYS 11 -0.147 -6.065 -7.636 86 2HE LYS 11 1HE LYS 11 -1.854 -6.449 -7.851 87 1HZ LYS 11 3HZ LYS 11 0.176 -7.812 -9.491 88 2HZ LYS 11 2HZ LYS 11 -0.115 -8.333 -7.909 89 3HZ LYS 11 1HZ LYS 11 -1.369 -8.341 -9.044 90 H TYR 12 H TYR 12 -0.455 -1.555 -9.227 91 HA TYR 12 HA TYR 12 1.757 -1.136 -9.514 92 1HB TYR 12 2HB TYR 12 1.296 -3.136 -11.716 93 2HB TYR 12 1HB TYR 12 2.880 -2.418 -11.441 94 HD1 TYR 12 HD1 TYR 12 1.161 -2.691 -8.376 95 HD2 TYR 12 HD2 TYR 12 3.358 -4.988 -11.204 96 HE1 TYR 12 HE1 TYR 12 1.620 -4.369 -6.645 97 HE2 TYR 12 HE2 TYR 12 3.822 -6.677 -9.478 98 HH TYR 12 HH TYR 12 3.956 -6.707 -6.919 99 H LYS 13 H LYS 13 0.466 0.964 -10.207 100 HA LYS 13 HA LYS 13 1.948 2.041 -12.440 101 1HB LYS 13 2HB LYS 13 -1.035 1.702 -12.505 102 2HB LYS 13 1HB LYS 13 -0.274 3.041 -13.354 103 1HG LYS 13 2HG LYS 13 1.225 1.150 -14.368 104 2HG LYS 13 1HG LYS 13 -0.130 0.119 -13.903 105 1HD LYS 13 2HD LYS 13 -1.344 2.285 -15.119 106 2HD LYS 13 1HD LYS 13 0.099 2.011 -16.096 107 1HE LYS 13 2HE LYS 13 -1.917 -0.107 -15.363 108 2HE LYS 13 1HE LYS 13 -1.871 0.754 -16.901 109 1HZ LYS 13 1HZ LYS 13 0.367 -0.138 -17.260 110 2HZ LYS 13 3HZ LYS 13 0.254 -1.015 -15.816 111 3HZ LYS 13 2HZ LYS 13 -0.784 -1.369 -17.104 112 H LEU 14 H LEU 14 0.930 2.275 -9.414 113 HA LEU 14 HA LEU 14 0.577 5.198 -9.461 114 1HB LEU 14 2HB LEU 14 -0.375 3.036 -7.653 115 2HB LEU 14 1HB LEU 14 -0.055 4.608 -6.953 116 HG LEU 14 HG LEU 14 -1.807 4.414 -9.367 117 1HD1 LEU 14 3HD1 LEU 14 -2.413 2.773 -7.386 118 2HD1 LEU 14 2HD1 LEU 14 -3.057 4.257 -6.680 119 3HD1 LEU 14 1HD1 LEU 14 -3.651 3.693 -8.243 120 1HD2 LEU 14 2HD2 LEU 14 -1.050 6.599 -8.475 121 2HD2 LEU 14 1HD2 LEU 14 -2.802 6.397 -8.447 122 3HD2 LEU 14 3HD2 LEU 14 -1.870 6.224 -6.960 123 H THR 15 H THR 15 2.034 6.492 -8.546 124 HA THR 15 HA THR 15 4.351 5.241 -7.238 125 HB THR 15 HB THR 15 5.703 6.936 -8.027 126 HG1 THR 15 HG1 THR 15 4.942 9.017 -8.512 127 1HG2 THR 15 2HG2 THR 15 4.001 5.787 -9.879 128 2HG2 THR 15 1HG2 THR 15 3.940 7.506 -10.269 129 3HG2 THR 15 3HG2 THR 15 5.489 6.664 -10.238 130 H TYR 16 H TYR 16 5.169 6.126 -5.291 131 HA TYR 16 HA TYR 16 3.527 6.652 -3.254 132 1HB TYR 16 2HB TYR 16 5.883 6.454 -2.845 133 2HB TYR 16 1HB TYR 16 6.220 7.933 -3.739 134 HD1 TYR 16 HD1 TYR 16 4.480 6.660 -0.702 135 HD2 TYR 16 HD2 TYR 16 6.312 9.986 -2.629 136 HE1 TYR 16 HE1 TYR 16 4.312 7.954 1.381 137 HE2 TYR 16 HE2 TYR 16 6.148 11.288 -0.548 138 HH TYR 16 HH TYR 16 4.207 10.484 1.976 139 H ALA 17 H ALA 17 4.635 9.071 -5.572 140 HA ALA 17 HA ALA 17 3.409 11.287 -4.280 141 1HB ALA 17 2HB ALA 17 4.244 10.991 -7.162 142 2HB ALA 17 1HB ALA 17 3.886 12.504 -6.330 143 3HB ALA 17 3HB ALA 17 5.277 11.537 -5.841 144 H GLU 18 H GLU 18 2.417 9.210 -7.002 145 HA GLU 18 HA GLU 18 -0.039 10.589 -7.436 146 1HB GLU 18 2HB GLU 18 0.847 7.820 -8.268 147 2HB GLU 18 1HB GLU 18 -0.581 8.647 -8.866 148 1HG GLU 18 2HG GLU 18 0.778 10.356 -9.886 149 2HG GLU 18 1HG GLU 18 2.236 9.644 -9.198 150 H ALA 19 H ALA 19 0.849 7.547 -5.860 151 HA ALA 19 HA ALA 19 -1.612 6.592 -5.112 152 1HB ALA 19 2HB ALA 19 -0.158 5.058 -4.397 153 2HB ALA 19 3HB ALA 19 -0.021 6.025 -2.928 154 3HB ALA 19 1HB ALA 19 1.137 6.246 -4.242 155 H LYS 20 H LYS 20 0.412 8.953 -3.407 156 HA LYS 20 HA LYS 20 -1.388 9.310 -1.227 157 1HB LYS 20 2HB LYS 20 1.140 9.836 -1.367 158 2HB LYS 20 1HB LYS 20 0.641 11.342 -2.119 159 1HG LYS 20 2HG LYS 20 -0.569 11.999 -0.164 160 2HG LYS 20 1HG LYS 20 -0.311 10.420 0.583 161 1HD LYS 20 2HD LYS 20 2.002 10.819 0.861 162 2HD LYS 20 1HD LYS 20 1.962 12.224 -0.207 163 1HE LYS 20 2HE LYS 20 0.164 12.386 2.106 164 2HE LYS 20 1HE LYS 20 1.879 12.334 2.509 165 1HZ LYS 20 3HZ LYS 20 0.816 14.201 0.478 166 2HZ LYS 20 2HZ LYS 20 0.846 14.600 2.122 167 3HZ LYS 20 1HZ LYS 20 2.291 14.274 1.304 168 H ALA 21 H ALA 21 -0.628 11.281 -4.086 169 HA ALA 21 HA ALA 21 -2.319 13.402 -3.672 170 1HB ALA 21 3HB ALA 21 -2.497 13.520 -6.191 171 2HB ALA 21 1HB ALA 21 -1.565 12.022 -6.236 172 3HB ALA 21 2HB ALA 21 -0.860 13.477 -5.533 173 H VAL 22 H VAL 22 -3.125 10.203 -4.905 174 HA VAL 22 HA VAL 22 -5.850 10.859 -5.488 175 HB VAL 22 HB VAL 22 -4.285 8.307 -5.415 176 1HG1 VAL 22 3HG1 VAL 22 -7.278 8.570 -5.577 177 2HG1 VAL 22 2HG1 VAL 22 -6.401 7.156 -6.160 178 3HG1 VAL 22 1HG1 VAL 22 -6.330 7.595 -4.454 179 1HG2 VAL 22 1HG2 VAL 22 -5.705 9.928 -7.501 180 2HG2 VAL 22 3HG2 VAL 22 -4.012 9.437 -7.440 181 3HG2 VAL 22 2HG2 VAL 22 -5.263 8.243 -7.785 182 H CYS 23 H CYS 23 -4.314 8.855 -2.982 183 HA CYS 23 HA CYS 23 -6.678 8.350 -1.542 184 1HB CYS 23 2HB CYS 23 -3.764 8.243 -0.783 185 2HB CYS 23 1HB CYS 23 -5.045 7.809 0.340 186 H GLU 24 H GLU 24 -4.488 11.033 -1.576 187 HA GLU 24 HA GLU 24 -5.725 12.187 0.817 188 1HB GLU 24 2HB GLU 24 -3.225 12.171 0.578 189 2HB GLU 24 1HB GLU 24 -3.400 13.256 -0.793 190 1HG GLU 24 2HG GLU 24 -4.140 15.018 0.536 191 2HG GLU 24 1HG GLU 24 -4.538 13.954 1.885 192 H PHE 25 H PHE 25 -6.061 12.149 -2.486 193 HA PHE 25 HA PHE 25 -6.586 14.751 -3.252 194 1HB PHE 25 2HB PHE 25 -6.708 12.348 -4.478 195 2HB PHE 25 1HB PHE 25 -8.426 12.678 -4.289 196 HD1 PHE 25 HD1 PHE 25 -5.277 14.129 -5.599 197 HD2 PHE 25 HD2 PHE 25 -9.526 14.084 -5.781 198 HE1 PHE 25 HE1 PHE 25 -5.198 15.573 -7.587 199 HE2 PHE 25 HE2 PHE 25 -9.460 15.531 -7.772 200 HZ PHE 25 HZ PHE 25 -7.293 16.277 -8.679 201 H GLU 26 H GLU 26 -8.733 12.413 -1.697 202 HA GLU 26 HA GLU 26 -10.766 14.512 -1.402 203 1HB GLU 26 2HB GLU 26 -11.118 11.565 -0.879 204 2HB GLU 26 1HB GLU 26 -12.375 12.781 -1.075 205 1HG GLU 26 2HG GLU 26 -11.727 13.072 -3.409 206 2HG GLU 26 1HG GLU 26 -10.474 11.850 -3.213 207 H GLY 27 H GLY 27 -8.962 15.189 0.238 208 1HA GLY 27 1HA GLY 27 -10.034 15.177 2.769 209 2HA GLY 27 2HA GLY 27 -8.344 15.512 2.427 210 H GLY 28 H GLY 28 -8.022 12.749 1.298 211 1HA GLY 28 2HA GLY 28 -8.083 10.505 2.194 212 2HA GLY 28 1HA GLY 28 -8.191 11.204 3.806 213 H HIS 29 H HIS 29 -6.329 9.283 3.398 214 HA HIS 29 HA HIS 29 -3.792 10.465 2.689 215 1HB HIS 29 2HB HIS 29 -3.389 9.426 5.318 216 2HB HIS 29 1HB HIS 29 -3.102 11.060 4.729 217 HD1 HIS 29 HD1 HIS 29 -4.969 12.820 5.165 218 HD2 HIS 29 HD2 HIS 29 -5.708 9.081 6.820 219 HE1 HIS 29 HE1 HIS 29 -6.869 13.162 6.776 220 HE2 HIS 29 HE2 HIS 29 -7.361 10.868 7.694 221 H LEU 30 H LEU 30 -2.388 8.931 2.017 222 HA LEU 30 HA LEU 30 -3.297 6.275 1.723 223 1HB LEU 30 2HB LEU 30 -1.649 6.134 0.245 224 2HB LEU 30 1HB LEU 30 -1.300 7.815 0.597 225 HG LEU 30 HG LEU 30 0.088 6.491 2.570 226 1HD1 LEU 30 3HD1 LEU 30 -0.565 4.472 0.899 227 2HD1 LEU 30 2HD1 LEU 30 0.968 4.997 0.203 228 3HD1 LEU 30 1HD1 LEU 30 0.889 4.507 1.896 229 1HD2 LEU 30 1HD2 LEU 30 0.656 7.959 0.125 230 2HD2 LEU 30 3HD2 LEU 30 1.434 8.047 1.706 231 3HD2 LEU 30 2HD2 LEU 30 1.932 6.814 0.547 232 H ALA 31 H ALA 31 -3.218 4.618 3.049 233 HA ALA 31 HA ALA 31 -2.482 4.771 5.699 234 1HB ALA 31 1HB ALA 31 -3.188 2.603 3.845 235 2HB ALA 31 3HB ALA 31 -2.275 2.110 5.271 236 3HB ALA 31 2HB ALA 31 -3.804 2.970 5.457 237 H THR 32 H THR 32 -0.800 3.552 6.868 238 HA THR 32 HA THR 32 1.767 3.694 5.428 239 HB THR 32 HB THR 32 2.862 4.111 7.510 240 HG1 THR 32 HG1 THR 32 1.515 2.698 8.790 241 1HG2 THR 32 1HG2 THR 32 0.392 5.722 7.011 242 2HG2 THR 32 3HG2 THR 32 1.422 6.093 8.393 243 3HG2 THR 32 2HG2 THR 32 2.083 6.156 6.760 244 H TYR 33 H TYR 33 3.323 2.334 7.262 245 HA TYR 33 HA TYR 33 2.780 -0.385 6.536 246 1HB TYR 33 2HB TYR 33 5.069 0.178 6.594 247 2HB TYR 33 1HB TYR 33 4.926 0.966 8.157 248 HD1 TYR 33 HD1 TYR 33 4.490 -2.424 6.627 249 HD2 TYR 33 HD2 TYR 33 5.710 -0.150 10.012 250 HE1 TYR 33 HE1 TYR 33 5.230 -4.487 7.739 251 HE2 TYR 33 HE2 TYR 33 6.454 -2.209 11.132 252 HH TYR 33 HH TYR 33 6.415 -5.321 9.475 253 H LYS 34 H LYS 34 3.549 0.910 9.733 254 HA LYS 34 HA LYS 34 2.519 -1.111 11.262 255 1HB LYS 34 2HB LYS 34 2.338 1.802 12.026 256 2HB LYS 34 1HB LYS 34 2.469 0.423 13.105 257 1HG LYS 34 2HG LYS 34 4.711 0.173 12.745 258 2HG LYS 34 1HG LYS 34 4.644 0.891 11.135 259 1HD LYS 34 2HD LYS 34 5.573 2.663 12.178 260 2HD LYS 34 1HD LYS 34 3.901 3.007 12.629 261 1HE LYS 34 2HE LYS 34 4.240 2.487 14.795 262 2HE LYS 34 1HE LYS 34 5.327 1.152 14.410 263 1HZ LYS 34 3HZ LYS 34 6.370 3.792 13.842 264 2HZ LYS 34 2HZ LYS 34 6.117 3.468 15.482 265 3HZ LYS 34 1HZ LYS 34 7.123 2.463 14.568 266 H GLN 35 H GLN 35 0.788 1.662 9.902 267 HA GLN 35 HA GLN 35 -1.665 1.181 11.206 268 1HB GLN 35 2HB GLN 35 -1.053 2.571 8.593 269 2HB GLN 35 1HB GLN 35 -2.619 2.599 9.385 270 1HG GLN 35 2HG GLN 35 -1.678 3.741 11.293 271 2HG GLN 35 1HG GLN 35 -0.067 3.638 10.588 272 1HE2 GLN 35 1HE2 GLN 35 -1.149 6.042 11.357 273 2HE2 GLN 35 2HE2 GLN 35 -1.465 7.005 9.958 274 H LEU 36 H LEU 36 -0.531 0.319 7.940 275 HA LEU 36 HA LEU 36 -2.803 -1.061 7.111 276 1HB LEU 36 2HB LEU 36 -0.583 -0.402 5.887 277 2HB LEU 36 1HB LEU 36 -0.058 -1.989 6.389 278 HG LEU 36 HG LEU 36 -0.936 -1.960 4.080 279 1HD1 LEU 36 1HD1 LEU 36 -1.170 -3.924 5.750 280 2HD1 LEU 36 3HD1 LEU 36 -2.886 -3.519 5.726 281 3HD1 LEU 36 2HD1 LEU 36 -2.066 -3.974 4.232 282 1HD2 LEU 36 2HD2 LEU 36 -3.390 -0.951 5.471 283 2HD2 LEU 36 1HD2 LEU 36 -2.573 -0.304 4.047 284 3HD2 LEU 36 3HD2 LEU 36 -3.493 -1.804 3.931 285 H GLU 37 H GLU 37 -0.043 -2.025 9.028 286 HA GLU 37 HA GLU 37 -0.417 -4.774 9.159 287 1HB GLU 37 2HB GLU 37 1.532 -3.540 10.088 288 2HB GLU 37 1HB GLU 37 0.509 -2.965 11.394 289 1HG GLU 37 2HG GLU 37 1.480 -4.737 12.423 290 2HG GLU 37 1HG GLU 37 0.066 -5.530 11.732 291 H ALA 38 H ALA 38 -1.500 -2.367 11.527 292 HA ALA 38 HA ALA 38 -3.082 -4.045 13.064 293 1HB ALA 38 1HB ALA 38 -2.380 -1.680 13.599 294 2HB ALA 38 2HB ALA 38 -4.043 -2.099 14.016 295 3HB ALA 38 3HB ALA 38 -3.708 -1.144 12.571 296 H ALA 39 H ALA 39 -3.632 -2.778 9.930 297 HA ALA 39 HA ALA 39 -6.509 -3.271 10.010 298 1HB ALA 39 3HB ALA 39 -4.785 -2.390 7.697 299 2HB ALA 39 2HB ALA 39 -6.547 -2.365 7.770 300 3HB ALA 39 1HB ALA 39 -5.605 -1.296 8.810 301 H ARG 40 H ARG 40 -3.551 -4.667 8.951 302 HA ARG 40 HA ARG 40 -4.624 -6.605 7.165 303 1HB ARG 40 2HB ARG 40 -2.339 -6.020 6.907 304 2HB ARG 40 1HB ARG 40 -2.008 -6.276 8.616 305 1HG ARG 40 2HG ARG 40 -2.979 -8.713 7.519 306 2HG ARG 40 1HG ARG 40 -1.709 -8.092 6.464 307 1HD ARG 40 2HD ARG 40 -0.098 -8.216 8.100 308 2HD ARG 40 1HD ARG 40 -1.269 -8.096 9.412 309 HE ARG 40 HE ARG 40 -1.400 -10.520 7.830 310 1HH1 ARG 40 1HH1 ARG 40 -0.149 -8.938 10.669 311 2HH1 ARG 40 2HH1 ARG 40 0.156 -10.418 11.517 312 1HH2 ARG 40 1HH2 ARG 40 -1.002 -12.474 8.939 313 2HH2 ARG 40 2HH2 ARG 40 -0.327 -12.428 10.533 314 H LYS 41 H LYS 41 -3.942 -6.426 10.586 315 HA LYS 41 HA LYS 41 -4.202 -9.188 11.137 316 1HB LYS 41 2HB LYS 41 -4.715 -6.937 13.075 317 2HB LYS 41 1HB LYS 41 -4.203 -8.577 13.449 318 1HG LYS 41 2HG LYS 41 -2.145 -7.934 11.956 319 2HG LYS 41 1HG LYS 41 -2.629 -6.292 12.384 320 1HD LYS 41 2HD LYS 41 -2.734 -7.407 14.811 321 2HD LYS 41 1HD LYS 41 -1.511 -8.449 14.079 322 1HE LYS 41 2HE LYS 41 -0.087 -6.844 14.752 323 2HE LYS 41 1HE LYS 41 -0.630 -6.017 13.292 324 1HZ LYS 41 1HZ LYS 41 -2.495 -5.231 15.005 325 2HZ LYS 41 3HZ LYS 41 -1.203 -5.425 16.080 326 3HZ LYS 41 2HZ LYS 41 -1.054 -4.380 14.759 327 H ILE 42 H ILE 42 -6.496 -6.761 10.440 328 HA ILE 42 HA ILE 42 -8.677 -8.099 11.819 329 HB ILE 42 HB ILE 42 -10.048 -6.292 11.172 330 1HG1 ILE 42 2HG1 ILE 42 -8.171 -4.854 9.451 331 2HG1 ILE 42 1HG1 ILE 42 -8.665 -6.403 8.783 332 1HG2 ILE 42 1HG2 ILE 42 -7.243 -5.391 11.771 333 2HG2 ILE 42 3HG2 ILE 42 -8.599 -4.266 11.692 334 3HG2 ILE 42 2HG2 ILE 42 -8.601 -5.566 12.884 335 1HD1 ILE 42 3HD1 ILE 42 -10.530 -4.223 9.685 336 2HD1 ILE 42 2HD1 ILE 42 -10.085 -4.575 8.015 337 3HD1 ILE 42 1HD1 ILE 42 -10.995 -5.759 8.954 338 H GLY 43 H GLY 43 -7.108 -8.218 8.811 339 1HA GLY 43 1HA GLY 43 -9.440 -9.531 7.564 340 2HA GLY 43 2HA GLY 43 -7.847 -10.278 7.540 341 H PHE 44 H PHE 44 -6.867 -7.314 7.284 342 HA PHE 44 HA PHE 44 -7.685 -6.658 4.591 343 1HB PHE 44 2HB PHE 44 -7.071 -5.009 6.474 344 2HB PHE 44 1HB PHE 44 -5.399 -5.382 6.072 345 HD1 PHE 44 HD1 PHE 44 -7.271 -5.647 3.143 346 HD2 PHE 44 HD2 PHE 44 -5.626 -2.756 5.798 347 HE1 PHE 44 HE1 PHE 44 -7.330 -3.968 1.346 348 HE2 PHE 44 HE2 PHE 44 -5.684 -1.072 4.005 349 HZ PHE 44 HZ PHE 44 -6.535 -1.679 1.777 350 H HIS 45 H HIS 45 -6.982 -8.132 3.132 351 HA HIS 45 HA HIS 45 -4.071 -8.565 2.969 352 1HB HIS 45 2HB HIS 45 -5.175 -10.637 3.591 353 2HB HIS 45 1HB HIS 45 -6.309 -10.472 2.257 354 HD1 HIS 45 HD1 HIS 45 -4.502 -12.969 2.610 355 HD2 HIS 45 HD2 HIS 45 -3.610 -9.725 0.170 356 HE1 HIS 45 HE1 HIS 45 -2.909 -13.849 0.875 357 HE2 HIS 45 HE2 HIS 45 -2.467 -11.894 -0.650 358 H VAL 46 H VAL 46 -3.182 -7.657 1.237 359 HA VAL 46 HA VAL 46 -4.633 -7.696 -1.302 360 HB VAL 46 HB VAL 46 -3.181 -5.198 -1.027 361 1HG1 VAL 46 3HG1 VAL 46 -5.540 -6.276 -2.271 362 2HG1 VAL 46 2HG1 VAL 46 -5.892 -4.726 -1.505 363 3HG1 VAL 46 1HG1 VAL 46 -4.598 -4.848 -2.698 364 1HG2 VAL 46 2HG2 VAL 46 -3.919 -5.414 1.324 365 2HG2 VAL 46 1HG2 VAL 46 -4.671 -4.053 0.485 366 3HG2 VAL 46 3HG2 VAL 46 -5.585 -5.538 0.760 367 H CYS 47 H CYS 47 -3.221 -9.177 -2.166 368 HA CYS 47 HA CYS 47 -0.412 -9.072 -1.930 369 1HB CYS 47 2HB CYS 47 -1.915 -11.024 -2.691 370 2HB CYS 47 1HB CYS 47 -1.835 -10.286 -4.285 371 H ALA 48 H ALA 48 0.281 -6.974 -2.384 372 HA ALA 48 HA ALA 48 1.200 -6.433 -4.922 373 1HB ALA 48 2HB ALA 48 -1.442 -6.185 -5.123 374 2HB ALA 48 3HB ALA 48 -0.323 -5.176 -6.045 375 3HB ALA 48 1HB ALA 48 -1.062 -4.552 -4.569 376 H ALA 49 H ALA 49 2.796 -5.021 -4.659 377 HA ALA 49 HA ALA 49 3.526 -3.858 -2.301 378 1HB ALA 49 1HB ALA 49 5.300 -3.266 -3.496 379 2HB ALA 49 3HB ALA 49 4.457 -3.812 -4.946 380 3HB ALA 49 2HB ALA 49 4.339 -2.126 -4.439 381 H GLY 50 H GLY 50 2.106 -2.709 -1.098 382 1HA GLY 50 2HA GLY 50 0.255 -1.219 -0.833 383 2HA GLY 50 1HA GLY 50 0.658 -0.498 -2.383 384 H TRP 51 H TRP 51 1.699 1.379 -2.359 385 HA TRP 51 HA TRP 51 3.841 2.163 -0.881 386 1HB TRP 51 2HB TRP 51 1.569 3.728 -2.057 387 2HB TRP 51 1HB TRP 51 2.829 4.551 -1.141 388 HD1 TRP 51 HD1 TRP 51 2.066 3.237 -4.535 389 HE1 TRP 51 HE1 TRP 51 4.142 3.453 -6.052 390 HE3 TRP 51 HE3 TRP 51 5.562 4.350 -0.977 391 HZ2 TRP 51 HZ2 TRP 51 6.895 4.024 -5.770 392 HZ3 TRP 51 HZ3 TRP 51 7.890 4.718 -1.678 393 HH2 TRP 51 HH2 TRP 51 8.542 4.557 -4.026 394 H MET 52 H MET 52 4.099 3.622 0.917 395 HA MET 52 HA MET 52 2.045 4.272 2.721 396 1HB MET 52 2HB MET 52 3.186 2.613 4.525 397 2HB MET 52 1HB MET 52 1.725 2.225 3.628 398 1HG MET 52 2HG MET 52 3.090 1.042 1.961 399 2HG MET 52 1HG MET 52 4.527 1.388 2.921 400 1HE MET 52 2HE MET 52 5.496 -0.347 3.442 401 2HE MET 52 1HE MET 52 5.121 -1.208 4.934 402 3HE MET 52 3HE MET 52 4.767 -1.952 3.375 403 H ALA 53 H ALA 53 3.119 4.704 5.019 404 HA ALA 53 HA ALA 53 4.508 6.135 6.128 405 1HB ALA 53 1HB ALA 53 6.886 5.044 4.752 406 2HB ALA 53 3HB ALA 53 6.569 5.262 6.473 407 3HB ALA 53 2HB ALA 53 5.856 3.900 5.611 408 H LYS 54 H LYS 54 6.914 7.300 5.522 409 HA LYS 54 HA LYS 54 6.107 9.486 3.911 410 1HB LYS 54 2HB LYS 54 8.214 8.891 5.721 411 2HB LYS 54 1HB LYS 54 8.947 9.455 4.227 412 1HG LYS 54 2HG LYS 54 8.669 11.445 5.273 413 2HG LYS 54 1HG LYS 54 7.108 11.340 4.458 414 1HD LYS 54 2HD LYS 54 5.996 11.222 6.393 415 2HD LYS 54 1HD LYS 54 7.107 10.017 7.048 416 1HE LYS 54 2HE LYS 54 8.718 12.081 7.246 417 2HE LYS 54 1HE LYS 54 7.206 12.990 7.224 418 1HZ LYS 54 3HZ LYS 54 6.548 11.253 9.037 419 2HZ LYS 54 2HZ LYS 54 8.221 11.125 9.244 420 3HZ LYS 54 1HZ LYS 54 7.458 12.620 9.445 421 H GLY 55 H GLY 55 6.969 6.493 2.927 422 1HA GLY 55 1HA GLY 55 8.690 7.239 0.716 423 2HA GLY 55 2HA GLY 55 7.033 6.855 0.264 424 H ARG 56 H ARG 56 7.238 4.971 2.768 425 HA ARG 56 HA ARG 56 8.910 2.862 1.656 426 1HB ARG 56 2HB ARG 56 7.773 3.500 4.274 427 2HB ARG 56 1HB ARG 56 7.624 1.798 3.858 428 1HG ARG 56 2HG ARG 56 9.921 1.488 3.763 429 2HG ARG 56 1HG ARG 56 10.243 3.211 3.561 430 1HD ARG 56 2HD ARG 56 9.768 3.670 5.822 431 2HD ARG 56 1HD ARG 56 9.011 2.096 6.064 432 HE ARG 56 HE ARG 56 11.906 2.526 5.707 433 1HH1 ARG 56 2HH1 ARG 56 9.207 0.713 6.958 434 2HH1 ARG 56 1HH1 ARG 56 10.198 -0.412 7.825 435 1HH2 ARG 56 1HH2 ARG 56 13.220 1.048 6.844 436 2HH2 ARG 56 2HH2 ARG 56 12.480 -0.223 7.761 437 H VAL 57 H VAL 57 8.168 1.154 0.550 438 HA VAL 57 HA VAL 57 5.257 0.692 0.500 439 HB VAL 57 HB VAL 57 5.437 1.444 -1.636 440 1HG1 VAL 57 3HG1 VAL 57 8.319 0.749 -1.360 441 2HG1 VAL 57 2HG1 VAL 57 7.641 0.956 -2.975 442 3HG1 VAL 57 1HG1 VAL 57 7.563 2.278 -1.810 443 1HG2 VAL 57 2HG2 VAL 57 5.184 -1.203 -1.521 444 2HG2 VAL 57 1HG2 VAL 57 5.208 -0.323 -3.048 445 3HG2 VAL 57 3HG2 VAL 57 6.670 -1.121 -2.467 446 H GLY 58 H GLY 58 4.623 -1.334 0.923 447 1HA GLY 58 2HA GLY 58 5.711 -3.309 2.146 448 2HA GLY 58 1HA GLY 58 6.594 -3.506 0.639 449 H TYR 59 H TYR 59 5.291 -5.659 1.358 450 HA TYR 59 HA TYR 59 2.818 -5.639 -0.249 451 1HB TYR 59 2HB TYR 59 4.368 -8.163 0.058 452 2HB TYR 59 1HB TYR 59 3.406 -7.592 -1.302 453 HD1 TYR 59 HD1 TYR 59 4.601 -4.993 -1.903 454 HD2 TYR 59 HD2 TYR 59 6.471 -8.648 -0.785 455 HE1 TYR 59 HE1 TYR 59 6.654 -4.290 -3.058 456 HE2 TYR 59 HE2 TYR 59 8.528 -7.955 -1.938 457 HH TYR 59 HH TYR 59 9.473 -5.303 -2.577 458 HA PRO 60 HA PRO 60 1.694 -6.858 4.087 459 1HB PRO 60 2HB PRO 60 -0.829 -5.565 3.293 460 2HB PRO 60 1HB PRO 60 0.179 -5.279 4.712 461 1HG PRO 60 2HG PRO 60 0.020 -3.510 2.690 462 2HG PRO 60 1HG PRO 60 1.505 -3.745 3.627 463 1HD PRO 60 1HD PRO 60 0.808 -4.727 0.895 464 2HD PRO 60 2HD PRO 60 2.363 -4.146 1.525 465 H ILE 61 H ILE 61 1.007 -8.873 4.357 466 HA ILE 61 HA ILE 61 -1.219 -9.851 2.698 467 HB ILE 61 HB ILE 61 1.204 -11.483 3.471 468 1HG1 ILE 61 1HG1 ILE 61 1.688 -9.799 1.722 469 2HG1 ILE 61 2HG1 ILE 61 1.784 -11.445 1.106 470 1HG2 ILE 61 2HG2 ILE 61 -1.004 -12.675 3.316 471 2HG2 ILE 61 1HG2 ILE 61 -1.042 -12.228 1.611 472 3HG2 ILE 61 3HG2 ILE 61 0.249 -13.264 2.222 473 1HD1 ILE 61 1HD1 ILE 61 -0.657 -11.054 0.363 474 2HD1 ILE 61 3HD1 ILE 61 -0.266 -9.347 0.568 475 3HD1 ILE 61 2HD1 ILE 61 0.657 -10.333 -0.566 476 H VAL 62 H VAL 62 -2.524 -11.487 3.668 477 HA VAL 62 HA VAL 62 -2.470 -11.368 6.600 478 HB VAL 62 HB VAL 62 -4.675 -11.854 4.621 479 1HG1 VAL 62 2HG1 VAL 62 -4.724 -12.463 7.571 480 2HG1 VAL 62 1HG1 VAL 62 -6.163 -12.314 6.562 481 3HG1 VAL 62 3HG1 VAL 62 -4.990 -13.591 6.241 482 1HG2 VAL 62 1HG2 VAL 62 -3.826 -9.572 5.726 483 2HG2 VAL 62 3HG2 VAL 62 -5.516 -9.869 5.316 484 3HG2 VAL 62 2HG2 VAL 62 -4.959 -10.088 6.975 485 H LYS 63 H LYS 63 -3.527 -13.754 4.158 486 HA LYS 63 HA LYS 63 -2.381 -15.856 5.875 487 1HB LYS 63 2HB LYS 63 -4.904 -15.666 4.350 488 2HB LYS 63 1HB LYS 63 -4.080 -17.216 4.267 489 1HG LYS 63 2HG LYS 63 -4.041 -16.512 6.966 490 2HG LYS 63 1HG LYS 63 -5.656 -16.093 6.389 491 1HD LYS 63 2HD LYS 63 -4.777 -18.655 5.364 492 2HD LYS 63 1HD LYS 63 -4.758 -18.615 7.127 493 1HE LYS 63 2HE LYS 63 -7.051 -18.081 7.242 494 2HE LYS 63 1HE LYS 63 -7.122 -17.678 5.528 495 1HZ LYS 63 1HZ LYS 63 -6.353 -20.402 6.259 496 2HZ LYS 63 3HZ LYS 63 -7.979 -19.970 6.434 497 3HZ LYS 63 2HZ LYS 63 -7.230 -19.850 4.922 498 HA PRO 64 HA PRO 64 0.483 -17.144 2.802 499 1HB PRO 64 2HB PRO 64 -0.542 -19.909 3.096 500 2HB PRO 64 1HB PRO 64 1.093 -19.286 3.323 501 1HG PRO 64 2HG PRO 64 -0.436 -19.977 5.406 502 2HG PRO 64 1HG PRO 64 0.677 -18.601 5.487 503 1HD PRO 64 2HD PRO 64 -2.291 -18.626 5.182 504 2HD PRO 64 1HD PRO 64 -1.254 -17.485 6.063 505 H GLY 65 H GLY 65 0.479 -19.024 0.915 506 1HA GLY 65 1HA GLY 65 -1.815 -19.617 -0.504 507 2HA GLY 65 2HA GLY 65 -0.235 -19.393 -1.240 508 HA PRO 66 HA PRO 66 -1.665 -15.096 -2.039 509 1HB PRO 66 2HB PRO 66 0.443 -14.209 -3.392 510 2HB PRO 66 1HB PRO 66 0.498 -14.352 -1.631 511 1HG PRO 66 2HG PRO 66 1.634 -16.167 -3.720 512 2HG PRO 66 1HG PRO 66 2.348 -15.645 -2.183 513 1HD PRO 66 2HD PRO 66 1.054 -18.066 -2.598 514 2HD PRO 66 1HD PRO 66 1.305 -17.299 -1.020 515 H ASN 67 H ASN 67 -0.284 -17.543 -4.139 516 HA ASN 67 HA ASN 67 -0.516 -17.998 -6.352 517 1HB ASN 67 2HB ASN 67 -2.820 -18.397 -5.097 518 2HB ASN 67 1HB ASN 67 -3.344 -17.106 -6.163 519 1HD2 ASN 67 1HD2 ASN 67 -0.967 -19.617 -6.766 520 2HD2 ASN 67 2HD2 ASN 67 -1.811 -20.367 -8.069 521 H CYS 68 H CYS 68 -0.111 -15.115 -5.411 522 HA CYS 68 HA CYS 68 -0.938 -13.777 -7.898 523 1HB CYS 68 2HB CYS 68 -1.699 -12.122 -6.616 524 2HB CYS 68 1HB CYS 68 -1.252 -13.034 -5.183 525 H GLY 69 H GLY 69 1.699 -14.177 -5.579 526 1HA GLY 69 1HA GLY 69 3.570 -12.569 -6.991 527 2HA GLY 69 2HA GLY 69 3.736 -14.257 -7.458 528 H PHE 70 H PHE 70 2.712 -14.765 -4.534 529 HA PHE 70 HA PHE 70 3.751 -15.507 -2.640 530 1HB PHE 70 2HB PHE 70 5.719 -15.781 -4.524 531 2HB PHE 70 1HB PHE 70 6.486 -14.703 -3.362 532 HD1 PHE 70 HD1 PHE 70 4.654 -17.929 -3.582 533 HD2 PHE 70 HD2 PHE 70 7.497 -15.567 -1.473 534 HE1 PHE 70 HE1 PHE 70 5.190 -19.859 -2.152 535 HE2 PHE 70 HE2 PHE 70 8.039 -17.492 -0.040 536 HZ PHE 70 HZ PHE 70 6.885 -19.642 -0.378 537 H GLY 71 H GLY 71 2.679 -13.700 -1.642 538 1HA GLY 71 1HA GLY 71 2.602 -11.540 -0.711 539 2HA GLY 71 2HA GLY 71 4.274 -11.294 -1.202 540 H LYS 72 H LYS 72 4.746 -14.101 0.002 541 HA LYS 72 HA LYS 72 5.274 -15.049 2.014 542 1HB LYS 72 2HB LYS 72 6.717 -12.663 1.536 543 2HB LYS 72 1HB LYS 72 6.401 -12.746 3.266 544 1HG LYS 72 2HG LYS 72 7.855 -14.417 3.561 545 2HG LYS 72 1HG LYS 72 7.299 -15.275 2.123 546 1HD LYS 72 2HD LYS 72 9.570 -14.679 1.744 547 2HD LYS 72 1HD LYS 72 8.581 -13.607 0.752 548 1HE LYS 72 2HE LYS 72 9.240 -11.776 1.864 549 2HE LYS 72 1HE LYS 72 9.124 -12.574 3.432 550 1HZ LYS 72 1HZ LYS 72 11.269 -13.767 2.295 551 2HZ LYS 72 3HZ LYS 72 11.418 -12.173 1.748 552 3HZ LYS 72 2HZ LYS 72 11.338 -12.495 3.406 553 H THR 73 H THR 73 5.551 -14.075 4.557 554 HA THR 73 HA THR 73 2.751 -13.599 5.288 555 HB THR 73 HB THR 73 3.937 -14.119 7.658 556 HG1 THR 73 HG1 THR 73 5.938 -14.494 6.268 557 1HG2 THR 73 3HG2 THR 73 1.998 -15.266 6.426 558 2HG2 THR 73 2HG2 THR 73 3.220 -16.384 5.818 559 3HG2 THR 73 1HG2 THR 73 2.942 -16.241 7.553 560 H GLY 74 H GLY 74 2.119 -11.685 6.033 561 1HA GLY 74 2HA GLY 74 3.922 -10.030 7.599 562 2HA GLY 74 1HA GLY 74 2.217 -9.720 7.292 563 H ILE 75 H ILE 75 3.542 -7.528 7.098 564 HA ILE 75 HA ILE 75 3.421 -6.833 4.330 565 HB ILE 75 HB ILE 75 4.465 -5.152 6.611 566 1HG1 ILE 75 1HG1 ILE 75 1.700 -5.781 5.656 567 2HG1 ILE 75 2HG1 ILE 75 2.295 -5.581 7.301 568 1HG2 ILE 75 1HG2 ILE 75 4.520 -4.714 3.865 569 2HG2 ILE 75 3HG2 ILE 75 3.152 -3.764 4.445 570 3HG2 ILE 75 2HG2 ILE 75 4.754 -3.514 5.136 571 1HD1 ILE 75 2HD1 ILE 75 2.459 -3.161 6.921 572 2HD1 ILE 75 1HD1 ILE 75 1.786 -3.391 5.308 573 3HD1 ILE 75 3HD1 ILE 75 0.817 -3.774 6.730 574 H ILE 76 H ILE 76 4.964 -7.349 2.949 575 HA ILE 76 HA ILE 76 7.727 -7.597 3.839 576 HB ILE 76 HB ILE 76 6.660 -8.085 1.061 577 1HG1 ILE 76 2HG1 ILE 76 5.385 -9.585 2.334 578 2HG1 ILE 76 1HG1 ILE 76 6.780 -10.545 1.854 579 1HG2 ILE 76 2HG2 ILE 76 9.250 -8.033 2.111 580 2HG2 ILE 76 1HG2 ILE 76 8.852 -9.739 1.910 581 3HG2 ILE 76 3HG2 ILE 76 8.744 -8.641 0.535 582 1HD1 ILE 76 1HD1 ILE 76 7.795 -10.025 4.072 583 2HD1 ILE 76 3HD1 ILE 76 6.260 -9.284 4.528 584 3HD1 ILE 76 2HD1 ILE 76 6.328 -11.003 4.134 585 H ASP 77 H ASP 77 8.019 -5.313 4.225 586 HA ASP 77 HA ASP 77 8.194 -3.669 1.800 587 1HB ASP 77 2HB ASP 77 6.948 -2.469 3.361 588 2HB ASP 77 1HB ASP 77 7.918 -3.031 4.716 589 H TYR 78 H TYR 78 10.100 -3.110 0.968 590 HA TYR 78 HA TYR 78 12.521 -3.970 2.355 591 1HB TYR 78 2HB TYR 78 12.057 -3.047 -0.488 592 2HB TYR 78 1HB TYR 78 13.624 -3.525 0.157 593 HD1 TYR 78 HD1 TYR 78 10.143 -4.892 0.018 594 HD2 TYR 78 HD2 TYR 78 14.312 -5.668 -0.326 595 HE1 TYR 78 HE1 TYR 78 9.653 -7.234 -0.546 596 HE2 TYR 78 HE2 TYR 78 13.834 -8.013 -0.893 597 HH TYR 78 HH TYR 78 11.023 -9.119 -1.932 598 H GLY 79 H GLY 79 10.819 -1.429 2.805 599 1HA GLY 79 2HA GLY 79 13.018 0.266 3.467 600 2HA GLY 79 1HA GLY 79 11.308 0.670 3.620 601 H ILE 80 H ILE 80 12.280 2.795 2.881 602 HA ILE 80 HA ILE 80 11.485 3.332 0.255 603 HB ILE 80 HB ILE 80 13.418 5.002 1.860 604 1HG1 ILE 80 1HG1 ILE 80 10.458 5.447 1.885 605 2HG1 ILE 80 2HG1 ILE 80 11.145 4.222 2.945 606 1HG2 ILE 80 1HG2 ILE 80 12.716 5.382 -0.678 607 2HG2 ILE 80 3HG2 ILE 80 11.339 6.164 0.100 608 3HG2 ILE 80 2HG2 ILE 80 12.977 6.720 0.442 609 1HD1 ILE 80 2HD1 ILE 80 12.767 6.224 3.567 610 2HD1 ILE 80 1HD1 ILE 80 11.366 7.165 3.052 611 3HD1 ILE 80 3HD1 ILE 80 11.206 5.986 4.353 612 H ARG 81 H ARG 81 12.424 2.615 -1.537 613 HA ARG 81 HA ARG 81 15.290 2.095 -1.585 614 1HB ARG 81 2HB ARG 81 13.037 1.455 -3.483 615 2HB ARG 81 1HB ARG 81 14.724 1.194 -3.909 616 1HG ARG 81 2HG ARG 81 13.718 0.043 -1.360 617 2HG ARG 81 1HG ARG 81 13.250 -0.723 -2.880 618 1HD ARG 81 2HD ARG 81 15.243 -1.782 -2.036 619 2HD ARG 81 1HD ARG 81 15.636 -0.877 -3.496 620 HE ARG 81 HE ARG 81 16.624 0.821 -2.070 621 1HH1 ARG 81 2HH1 ARG 81 15.940 -2.265 -0.611 622 2HH1 ARG 81 1HH1 ARG 81 17.088 -2.061 0.670 623 1HH2 ARG 81 1HH2 ARG 81 18.139 1.102 -0.388 624 2HH2 ARG 81 2HH2 ARG 81 18.338 -0.145 0.798 625 H LEU 82 H LEU 82 14.001 4.841 -1.635 626 HA LEU 82 HA LEU 82 14.265 6.850 -2.677 627 1HB LEU 82 2HB LEU 82 16.711 5.743 -2.351 628 2HB LEU 82 1HB LEU 82 16.708 5.977 -4.086 629 HG LEU 82 HG LEU 82 17.754 7.841 -2.813 630 1HD1 LEU 82 3HD1 LEU 82 15.351 8.331 -4.539 631 2HD1 LEU 82 2HD1 LEU 82 16.349 9.656 -3.940 632 3HD1 LEU 82 1HD1 LEU 82 17.059 8.412 -4.970 633 1HD2 LEU 82 3HD2 LEU 82 15.696 7.560 -1.076 634 2HD2 LEU 82 2HD2 LEU 82 16.708 8.999 -1.198 635 3HD2 LEU 82 1HD2 LEU 82 15.151 8.944 -2.024 636 H ASN 83 H ASN 83 12.477 5.408 -4.033 637 HA ASN 83 HA ASN 83 12.902 6.295 -6.761 638 1HB ASN 83 2HB ASN 83 13.548 3.705 -6.230 639 2HB ASN 83 1HB ASN 83 11.845 3.542 -6.650 640 1HD2 ASN 83 1HD2 ASN 83 14.726 5.272 -7.796 641 2HD2 ASN 83 2HD2 ASN 83 14.452 4.962 -9.473 642 H ARG 84 H ARG 84 11.239 7.688 -5.548 643 HA ARG 84 HA ARG 84 8.658 6.665 -5.033 644 1HB ARG 84 2HB ARG 84 9.628 9.466 -5.608 645 2HB ARG 84 1HB ARG 84 7.984 9.082 -5.125 646 1HG ARG 84 2HG ARG 84 8.839 8.124 -3.031 647 2HG ARG 84 1HG ARG 84 10.473 8.583 -3.511 648 1HD ARG 84 2HD ARG 84 8.388 10.693 -3.526 649 2HD ARG 84 1HD ARG 84 8.958 10.120 -1.959 650 HE ARG 84 HE ARG 84 11.052 11.032 -2.402 651 1HH1 ARG 84 1HH1 ARG 84 8.923 11.372 -5.139 652 2HH1 ARG 84 2HH1 ARG 84 9.930 12.531 -5.941 653 1HH2 ARG 84 2HH2 ARG 84 12.383 12.558 -3.452 654 2HH2 ARG 84 1HH2 ARG 84 11.896 13.204 -4.983 655 H SER 85 H SER 85 10.254 6.925 -7.905 656 HA SER 85 HA SER 85 7.874 7.582 -9.477 657 1HB SER 85 2HB SER 85 10.807 7.494 -10.051 658 2HB SER 85 1HB SER 85 9.679 7.258 -11.385 659 HG SER 85 HG SER 85 10.415 9.536 -10.247 660 H GLU 86 H GLU 86 8.507 5.009 -7.949 661 HA GLU 86 HA GLU 86 8.811 2.987 -9.952 662 1HB GLU 86 2HB GLU 86 8.224 3.025 -7.022 663 2HB GLU 86 1HB GLU 86 7.889 1.557 -7.929 664 1HG GLU 86 2HG GLU 86 10.540 2.758 -8.369 665 2HG GLU 86 1HG GLU 86 10.244 2.099 -6.761 666 H ARG 87 H ARG 87 6.948 1.095 -9.461 667 HA ARG 87 HA ARG 87 4.335 2.349 -9.873 668 1HB ARG 87 2HB ARG 87 3.945 0.601 -11.702 669 2HB ARG 87 1HB ARG 87 4.919 2.008 -12.108 670 1HG ARG 87 2HG ARG 87 6.893 0.422 -11.389 671 2HG ARG 87 1HG ARG 87 5.721 -0.832 -11.798 672 1HD ARG 87 2HD ARG 87 5.898 1.313 -13.776 673 2HD ARG 87 1HD ARG 87 7.400 0.412 -13.566 674 HE ARG 87 HE ARG 87 5.939 -1.624 -13.943 675 1HH1 ARG 87 1HH1 ARG 87 5.239 1.498 -15.316 676 2HH1 ARG 87 2HH1 ARG 87 4.385 0.853 -16.677 677 1HH2 ARG 87 2HH2 ARG 87 4.817 -2.486 -15.732 678 2HH2 ARG 87 1HH2 ARG 87 4.144 -1.414 -16.914 679 H TRP 88 H TRP 88 3.052 1.544 -8.388 680 HA TRP 88 HA TRP 88 2.824 -1.328 -8.035 681 1HB TRP 88 2HB TRP 88 3.218 0.361 -5.570 682 2HB TRP 88 1HB TRP 88 3.240 -1.393 -5.708 683 HD1 TRP 88 HD1 TRP 88 5.491 1.563 -5.650 684 HE1 TRP 88 HE1 TRP 88 7.916 0.839 -6.124 685 HE3 TRP 88 HE3 TRP 88 4.614 -3.209 -7.265 686 HZ2 TRP 88 HZ2 TRP 88 9.277 -1.453 -7.057 687 HZ3 TRP 88 HZ3 TRP 88 6.531 -4.601 -7.927 688 HH2 TRP 88 HH2 TRP 88 8.814 -3.740 -7.825 689 H ASP 89 H ASP 89 1.532 -0.394 -5.333 690 HA ASP 89 HA ASP 89 -0.993 0.547 -6.524 691 1HB ASP 89 2HB ASP 89 -0.933 -1.150 -4.049 692 2HB ASP 89 1HB ASP 89 -2.243 -0.915 -5.203 693 H ALA 90 H ALA 90 -2.451 1.076 -4.324 694 HA ALA 90 HA ALA 90 -0.843 2.748 -2.551 695 1HB ALA 90 2HB ALA 90 -1.460 4.164 -4.483 696 2HB ALA 90 3HB ALA 90 -2.143 4.735 -2.961 697 3HB ALA 90 1HB ALA 90 -3.161 3.875 -4.117 698 H TYR 91 H TYR 91 -1.671 2.910 -0.518 699 HA TYR 91 HA TYR 91 -4.200 1.509 -0.019 700 1HB TYR 91 2HB TYR 91 -1.745 2.032 1.623 701 2HB TYR 91 1HB TYR 91 -3.275 1.709 2.426 702 HD1 TYR 91 HD1 TYR 91 -4.535 -0.463 1.591 703 HD2 TYR 91 HD2 TYR 91 -0.370 0.256 1.094 704 HE1 TYR 91 HE1 TYR 91 -4.157 -2.876 1.331 705 HE2 TYR 91 HE2 TYR 91 0.018 -2.158 0.833 706 HH TYR 91 HH TYR 91 -1.928 -4.256 -0.003 707 H CYS 92 H CYS 92 -5.872 2.890 -0.026 708 HA CYS 92 HA CYS 92 -5.531 5.629 0.838 709 1HB CYS 92 2HB CYS 92 -7.761 4.067 -0.419 710 2HB CYS 92 1HB CYS 92 -8.072 5.646 0.290 711 H TYR 93 H TYR 93 -6.178 6.499 2.710 712 HA TYR 93 HA TYR 93 -7.811 4.884 4.539 713 1HB TYR 93 2HB TYR 93 -5.506 4.635 5.256 714 2HB TYR 93 1HB TYR 93 -5.271 6.373 5.218 715 HD1 TYR 93 HD1 TYR 93 -7.212 7.646 6.699 716 HD2 TYR 93 HD2 TYR 93 -5.690 3.727 7.358 717 HE1 TYR 93 HE1 TYR 93 -7.892 7.787 9.058 718 HE2 TYR 93 HE2 TYR 93 -6.366 3.857 9.719 719 HH TYR 93 HH TYR 93 -6.907 6.422 11.341 720 H ASN 94 H ASN 94 -9.524 5.971 5.248 721 HA ASN 94 HA ASN 94 -9.359 8.893 5.487 722 1HB ASN 94 2HB ASN 94 -11.696 7.398 4.282 723 2HB ASN 94 1HB ASN 94 -11.579 9.140 4.506 724 1HD2 ASN 94 2HD2 ASN 94 -11.101 10.207 2.744 725 2HD2 ASN 94 1HD2 ASN 94 -10.154 9.631 1.420 726 HA PRO 95 HA PRO 95 -11.001 8.534 9.553 727 1HB PRO 95 2HB PRO 95 -13.006 10.561 8.657 728 2HB PRO 95 1HB PRO 95 -11.975 10.557 10.094 729 1HG PRO 95 2HG PRO 95 -11.386 12.091 7.993 730 2HG PRO 95 1HG PRO 95 -10.112 11.279 8.921 731 1HD PRO 95 1HD PRO 95 -11.197 10.635 6.229 732 2HD PRO 95 2HD PRO 95 -9.562 10.400 6.875 733 H HIS 96 H HIS 96 -13.226 8.583 6.825 734 HA HIS 96 HA HIS 96 -14.948 6.675 8.263 735 1HB HIS 96 2HB HIS 96 -15.724 8.901 6.375 736 2HB HIS 96 1HB HIS 96 -16.816 7.585 6.795 737 HD1 HIS 96 HD1 HIS 96 -18.322 8.107 8.676 738 HD2 HIS 96 HD2 HIS 96 -14.775 10.259 8.903 739 HE1 HIS 96 HE1 HIS 96 -18.562 9.586 10.696 740 HE2 HIS 96 HE2 HIS 96 -16.371 10.818 10.860 741 H ALA 97 H ALA 97 -13.411 7.621 5.277 742 HA ALA 97 HA ALA 97 -13.405 6.611 3.184 743 1HB ALA 97 3HB ALA 97 -11.456 5.655 3.841 744 2HB ALA 97 1HB ALA 97 -12.403 4.180 3.645 745 3HB ALA 97 2HB ALA 97 -12.183 4.878 5.248 746 H LYS 98 H LYS 98 -15.836 6.624 3.105 747 HA LYS 98 HA LYS 98 -16.873 3.865 3.078 748 1HB LYS 98 2HB LYS 98 -17.872 5.821 4.607 749 2HB LYS 98 1HB LYS 98 -18.759 6.164 3.127 750 1HG LYS 98 2HG LYS 98 -19.662 3.918 3.109 751 2HG LYS 98 1HG LYS 98 -18.715 3.505 4.539 752 1HD LYS 98 2HD LYS 98 -19.932 5.130 5.860 753 2HD LYS 98 1HD LYS 98 -20.822 5.660 4.431 754 1HE LYS 98 2HE LYS 98 -22.369 4.135 4.894 755 2HE LYS 98 1HE LYS 98 -21.171 2.883 4.566 756 1HZ LYS 98 3HZ LYS 98 -20.968 4.056 7.192 757 2HZ LYS 98 2HZ LYS 98 -22.421 3.234 6.920 758 3HZ LYS 98 1HZ LYS 98 -20.947 2.429 6.728 No H/Q in entry = 758 Start of MODEL 20 1 H1 GLY 1 3H GLY 1 -12.603 3.729 5.918 2 H2 GLY 1 2H GLY 1 -12.753 2.317 6.837 3 H3 GLY 1 1H GLY 1 -13.156 3.813 7.516 4 1HA GLY 1 2HA GLY 1 -10.905 2.755 8.116 5 2HA GLY 1 1HA GLY 1 -10.986 4.475 7.770 6 H VAL 2 H VAL 2 -8.941 2.169 7.411 7 HA VAL 2 HA VAL 2 -7.884 3.204 4.918 8 HB VAL 2 HB VAL 2 -6.216 3.010 6.540 9 1HG1 VAL 2 2HG1 VAL 2 -7.817 0.838 7.492 10 2HG1 VAL 2 1HG1 VAL 2 -6.137 0.320 7.356 11 3HG1 VAL 2 3HG1 VAL 2 -6.547 1.735 8.325 12 1HG2 VAL 2 1HG2 VAL 2 -5.951 1.652 4.221 13 2HG2 VAL 2 3HG2 VAL 2 -4.651 1.867 5.394 14 3HG2 VAL 2 2HG2 VAL 2 -5.592 0.377 5.385 15 H TYR 3 H TYR 3 -7.747 2.143 3.018 16 HA TYR 3 HA TYR 3 -8.370 -0.712 2.927 17 1HB TYR 3 2HB TYR 3 -9.870 -0.239 0.915 18 2HB TYR 3 1HB TYR 3 -10.525 0.143 2.502 19 HD1 TYR 3 HD1 TYR 3 -10.704 2.503 3.233 20 HD2 TYR 3 HD2 TYR 3 -9.468 1.472 -0.705 21 HE1 TYR 3 HE1 TYR 3 -11.160 4.802 2.494 22 HE2 TYR 3 HE2 TYR 3 -9.920 3.770 -1.455 23 HH TYR 3 HH TYR 3 -10.382 6.331 0.645 24 H HIS 4 H HIS 4 -8.060 -1.566 0.644 25 HA HIS 4 HA HIS 4 -5.557 -0.458 -0.383 26 1HB HIS 4 2HB HIS 4 -5.345 -2.765 0.093 27 2HB HIS 4 1HB HIS 4 -6.893 -3.144 -0.657 28 HD1 HIS 4 HD1 HIS 4 -6.546 -4.381 -2.755 29 HD2 HIS 4 HD2 HIS 4 -3.583 -1.531 -2.148 30 HE1 HIS 4 HE1 HIS 4 -5.036 -4.543 -4.760 31 HE2 HIS 4 HE2 HIS 4 -3.307 -2.743 -4.416 32 H ARG 5 H ARG 5 -5.245 0.062 -2.544 33 HA ARG 5 HA ARG 5 -7.454 -0.147 -4.409 34 1HB ARG 5 2HB ARG 5 -7.610 2.019 -2.950 35 2HB ARG 5 1HB ARG 5 -6.317 2.591 -3.993 36 1HG ARG 5 2HG ARG 5 -8.209 3.389 -5.045 37 2HG ARG 5 1HG ARG 5 -7.886 1.894 -5.925 38 1HD ARG 5 2HD ARG 5 -9.914 1.159 -5.413 39 2HD ARG 5 1HD ARG 5 -9.507 1.239 -3.701 40 HE ARG 5 HE ARG 5 -10.386 3.498 -3.683 41 1HH1 ARG 5 1HH1 ARG 5 -11.146 1.537 -6.460 42 2HH1 ARG 5 2HH1 ARG 5 -12.545 2.463 -6.893 43 1HH2 ARG 5 2HH2 ARG 5 -12.227 4.723 -4.246 44 2HH2 ARG 5 1HH2 ARG 5 -13.159 4.274 -5.635 45 H GLU 6 H GLU 6 -6.836 0.743 -6.581 46 HA GLU 6 HA GLU 6 -3.932 0.513 -7.024 47 1HB GLU 6 2HB GLU 6 -4.351 -0.662 -9.097 48 2HB GLU 6 1HB GLU 6 -5.151 -1.509 -7.781 49 1HG GLU 6 2HG GLU 6 -6.545 0.418 -9.619 50 2HG GLU 6 1HG GLU 6 -6.476 -1.323 -9.886 51 H ALA 7 H ALA 7 -3.789 1.119 -9.664 52 HA ALA 7 HA ALA 7 -4.371 3.960 -9.633 53 1HB ALA 7 2HB ALA 7 -2.565 4.156 -10.923 54 2HB ALA 7 1HB ALA 7 -2.293 2.435 -10.641 55 3HB ALA 7 3HB ALA 7 -3.169 2.966 -12.077 56 H ARG 8 H ARG 8 -5.509 5.068 -11.267 57 HA ARG 8 HA ARG 8 -7.906 3.869 -12.093 58 1HB ARG 8 2HB ARG 8 -6.526 6.447 -12.623 59 2HB ARG 8 1HB ARG 8 -7.801 5.981 -13.739 60 1HG ARG 8 2HG ARG 8 -9.147 7.015 -12.290 61 2HG ARG 8 1HG ARG 8 -9.005 5.528 -11.350 62 1HD ARG 8 2HD ARG 8 -7.219 6.478 -10.036 63 2HD ARG 8 1HD ARG 8 -7.210 7.930 -11.036 64 HE ARG 8 HE ARG 8 -8.984 8.720 -9.833 65 1HH1 ARG 8 2HH1 ARG 8 -8.691 5.292 -9.293 66 2HH1 ARG 8 1HH1 ARG 8 -9.907 5.252 -8.060 67 1HH2 ARG 8 1HH2 ARG 8 -10.588 8.677 -8.211 68 2HH2 ARG 8 2HH2 ARG 8 -10.985 7.175 -7.445 69 H SER 9 H SER 9 -4.780 3.819 -13.476 70 HA SER 9 HA SER 9 -5.795 3.055 -16.111 71 1HB SER 9 2HB SER 9 -3.316 4.225 -15.106 72 2HB SER 9 1HB SER 9 -3.032 2.891 -16.224 73 HG SER 9 HG SER 9 -4.355 5.333 -16.662 74 H GLY 10 H GLY 10 -4.358 1.719 -13.250 75 1HA GLY 10 2HA GLY 10 -3.693 -0.795 -14.560 76 2HA GLY 10 1HA GLY 10 -5.064 -0.842 -13.459 77 H LYS 11 H LYS 11 -3.590 -2.472 -12.445 78 HA LYS 11 HA LYS 11 -2.492 -1.438 -10.077 79 1HB LYS 11 2HB LYS 11 -3.332 -3.687 -10.112 80 2HB LYS 11 1HB LYS 11 -2.215 -4.143 -11.391 81 1HG LYS 11 2HG LYS 11 -0.401 -4.224 -9.963 82 2HG LYS 11 1HG LYS 11 -1.166 -3.174 -8.766 83 1HD LYS 11 2HD LYS 11 -1.997 -4.926 -7.679 84 2HD LYS 11 1HD LYS 11 -2.741 -5.545 -9.155 85 1HE LYS 11 2HE LYS 11 -0.411 -6.410 -9.752 86 2HE LYS 11 1HE LYS 11 0.003 -6.096 -8.068 87 1HZ LYS 11 3HZ LYS 11 -1.970 -7.523 -7.493 88 2HZ LYS 11 2HZ LYS 11 -2.018 -7.988 -9.118 89 3HZ LYS 11 1HZ LYS 11 -0.654 -8.334 -8.180 90 H TYR 12 H TYR 12 -0.306 -1.469 -9.327 91 HA TYR 12 HA TYR 12 1.884 -0.871 -9.481 92 1HB TYR 12 2HB TYR 12 1.670 -2.816 -11.778 93 2HB TYR 12 1HB TYR 12 3.198 -2.087 -11.295 94 HD1 TYR 12 HD1 TYR 12 1.221 -2.494 -8.427 95 HD2 TYR 12 HD2 TYR 12 3.636 -4.695 -11.153 96 HE1 TYR 12 HE1 TYR 12 1.522 -4.246 -6.733 97 HE2 TYR 12 HE2 TYR 12 3.943 -6.456 -9.465 98 HH TYR 12 HH TYR 12 2.428 -7.224 -7.308 99 H LYS 13 H LYS 13 0.346 1.106 -10.356 100 HA LYS 13 HA LYS 13 1.915 2.247 -12.540 101 1HB LYS 13 2HB LYS 13 -0.960 1.617 -12.586 102 2HB LYS 13 1HB LYS 13 -0.562 3.254 -13.084 103 1HG LYS 13 2HG LYS 13 1.250 1.914 -14.526 104 2HG LYS 13 1HG LYS 13 0.000 0.674 -14.403 105 1HD LYS 13 2HD LYS 13 -1.439 2.938 -15.007 106 2HD LYS 13 1HD LYS 13 0.039 3.146 -15.950 107 1HE LYS 13 2HE LYS 13 -0.443 0.590 -16.518 108 2HE LYS 13 1HE LYS 13 -2.096 1.102 -16.181 109 1HZ LYS 13 1HZ LYS 13 -0.273 2.406 -18.131 110 2HZ LYS 13 3HZ LYS 13 -1.511 1.324 -18.531 111 3HZ LYS 13 2HZ LYS 13 -1.887 2.822 -17.841 112 H LEU 14 H LEU 14 0.920 2.459 -9.474 113 HA LEU 14 HA LEU 14 0.588 5.382 -9.472 114 1HB LEU 14 2HB LEU 14 -0.258 3.187 -7.646 115 2HB LEU 14 1HB LEU 14 0.055 4.765 -6.954 116 HG LEU 14 HG LEU 14 -1.808 4.472 -9.285 117 1HD1 LEU 14 1HD1 LEU 14 -2.322 2.932 -7.237 118 2HD1 LEU 14 3HD1 LEU 14 -2.839 4.444 -6.488 119 3HD1 LEU 14 2HD1 LEU 14 -3.605 3.891 -7.977 120 1HD2 LEU 14 3HD2 LEU 14 -0.819 6.648 -7.959 121 2HD2 LEU 14 2HD2 LEU 14 -2.312 6.615 -8.898 122 3HD2 LEU 14 1HD2 LEU 14 -2.364 6.384 -7.150 123 H THR 15 H THR 15 1.931 6.700 -8.355 124 HA THR 15 HA THR 15 4.371 5.464 -7.258 125 HB THR 15 HB THR 15 5.546 7.525 -7.758 126 HG1 THR 15 HG1 THR 15 3.686 8.924 -7.458 127 1HG2 THR 15 3HG2 THR 15 3.952 6.330 -10.004 128 2HG2 THR 15 2HG2 THR 15 5.129 7.610 -10.297 129 3HG2 THR 15 1HG2 THR 15 5.649 6.078 -9.594 130 H TYR 16 H TYR 16 5.224 6.298 -5.298 131 HA TYR 16 HA TYR 16 3.638 6.656 -3.184 132 1HB TYR 16 2HB TYR 16 6.028 6.553 -2.899 133 2HB TYR 16 1HB TYR 16 6.238 8.110 -3.692 134 HD1 TYR 16 HD1 TYR 16 4.670 6.531 -0.703 135 HD2 TYR 16 HD2 TYR 16 6.299 10.064 -2.430 136 HE1 TYR 16 HE1 TYR 16 4.519 7.661 1.476 137 HE2 TYR 16 HE2 TYR 16 6.153 11.202 -0.254 138 HH TYR 16 HH TYR 16 5.019 11.058 1.827 139 H ALA 17 H ALA 17 4.554 9.236 -5.416 140 HA ALA 17 HA ALA 17 3.210 11.298 -3.973 141 1HB ALA 17 1HB ALA 17 4.103 11.270 -6.853 142 2HB ALA 17 3HB ALA 17 3.668 12.692 -5.905 143 3HB ALA 17 2HB ALA 17 5.097 11.751 -5.478 144 H GLU 18 H GLU 18 2.373 9.316 -6.812 145 HA GLU 18 HA GLU 18 -0.100 10.611 -7.315 146 1HB GLU 18 2HB GLU 18 0.922 7.866 -8.062 147 2HB GLU 18 1HB GLU 18 -0.575 8.557 -8.664 148 1HG GLU 18 2HG GLU 18 0.674 10.376 -9.703 149 2HG GLU 18 1HG GLU 18 2.178 9.689 -9.093 150 H ALA 19 H ALA 19 0.846 7.713 -5.559 151 HA ALA 19 HA ALA 19 -1.659 6.745 -4.849 152 1HB ALA 19 1HB ALA 19 -0.168 5.196 -4.216 153 2HB ALA 19 2HB ALA 19 -0.098 6.096 -2.702 154 3HB ALA 19 3HB ALA 19 1.103 6.392 -3.960 155 H LYS 20 H LYS 20 0.374 9.197 -3.330 156 HA LYS 20 HA LYS 20 -1.327 9.552 -1.054 157 1HB LYS 20 2HB LYS 20 1.209 10.076 -1.332 158 2HB LYS 20 1HB LYS 20 0.649 11.590 -2.025 159 1HG LYS 20 2HG LYS 20 -0.477 12.174 0.015 160 2HG LYS 20 1HG LYS 20 -0.112 10.594 0.712 161 1HD LYS 20 2HD LYS 20 2.349 11.652 -0.118 162 2HD LYS 20 1HD LYS 20 1.491 12.981 0.665 163 1HE LYS 20 2HE LYS 20 1.672 10.266 1.929 164 2HE LYS 20 1HE LYS 20 2.954 11.460 2.125 165 1HZ LYS 20 3HZ LYS 20 0.236 12.360 2.660 166 2HZ LYS 20 2HZ LYS 20 0.905 11.280 3.777 167 3HZ LYS 20 1HZ LYS 20 1.681 12.748 3.451 168 H ALA 21 H ALA 21 -0.912 11.168 -4.161 169 HA ALA 21 HA ALA 21 -2.443 13.442 -3.701 170 1HB ALA 21 2HB ALA 21 -2.849 13.425 -6.172 171 2HB ALA 21 1HB ALA 21 -1.156 13.293 -5.697 172 3HB ALA 21 3HB ALA 21 -2.037 11.860 -6.228 173 H VAL 22 H VAL 22 -3.486 10.297 -4.969 174 HA VAL 22 HA VAL 22 -6.228 10.992 -5.150 175 HB VAL 22 HB VAL 22 -4.736 8.393 -5.216 176 1HG1 VAL 22 1HG1 VAL 22 -7.729 8.734 -5.141 177 2HG1 VAL 22 3HG1 VAL 22 -6.913 7.268 -5.686 178 3HG1 VAL 22 2HG1 VAL 22 -6.726 7.815 -4.019 179 1HG2 VAL 22 1HG2 VAL 22 -6.493 9.834 -7.201 180 2HG2 VAL 22 3HG2 VAL 22 -4.731 9.757 -7.223 181 3HG2 VAL 22 2HG2 VAL 22 -5.681 8.294 -7.483 182 H CYS 23 H CYS 23 -4.473 8.959 -2.823 183 HA CYS 23 HA CYS 23 -6.658 8.503 -1.122 184 1HB CYS 23 2HB CYS 23 -3.682 8.409 -0.628 185 2HB CYS 23 1HB CYS 23 -4.878 7.892 0.553 186 H GLU 24 H GLU 24 -4.469 11.182 -1.412 187 HA GLU 24 HA GLU 24 -5.516 12.357 1.070 188 1HB GLU 24 2HB GLU 24 -3.057 12.281 0.838 189 2HB GLU 24 1HB GLU 24 -3.174 13.237 -0.633 190 1HG GLU 24 2HG GLU 24 -3.754 15.163 0.506 191 2HG GLU 24 1HG GLU 24 -4.298 14.278 1.930 192 H PHE 25 H PHE 25 -6.292 12.218 -2.047 193 HA PHE 25 HA PHE 25 -6.657 14.881 -2.861 194 1HB PHE 25 2HB PHE 25 -6.923 12.482 -4.061 195 2HB PHE 25 1HB PHE 25 -8.616 12.854 -3.768 196 HD1 PHE 25 HD1 PHE 25 -5.520 14.226 -5.277 197 HD2 PHE 25 HD2 PHE 25 -9.774 14.269 -5.200 198 HE1 PHE 25 HE1 PHE 25 -5.533 15.659 -7.276 199 HE2 PHE 25 HE2 PHE 25 -9.798 15.705 -7.201 200 HZ PHE 25 HZ PHE 25 -7.676 16.401 -8.242 201 H GLU 26 H GLU 26 -8.791 12.625 -1.171 202 HA GLU 26 HA GLU 26 -10.768 14.758 -0.833 203 1HB GLU 26 2HB GLU 26 -11.053 11.837 -0.142 204 2HB GLU 26 1HB GLU 26 -12.336 13.036 -0.248 205 1HG GLU 26 2HG GLU 26 -11.937 13.262 -2.637 206 2HG GLU 26 1HG GLU 26 -10.638 12.076 -2.539 207 H GLY 27 H GLY 27 -8.897 15.565 0.648 208 1HA GLY 27 1HA GLY 27 -9.828 15.686 3.239 209 2HA GLY 27 2HA GLY 27 -8.179 16.069 2.770 210 H GLY 28 H GLY 28 -7.996 13.166 1.785 211 1HA GLY 28 2HA GLY 28 -7.998 11.021 2.963 212 2HA GLY 28 1HA GLY 28 -7.665 11.910 4.444 213 H HIS 29 H HIS 29 -6.106 9.765 3.543 214 HA HIS 29 HA HIS 29 -3.755 10.868 2.275 215 1HB HIS 29 2HB HIS 29 -2.257 10.749 4.037 216 2HB HIS 29 1HB HIS 29 -3.694 11.367 4.832 217 HD1 HIS 29 HD1 HIS 29 -1.494 8.373 4.635 218 HD2 HIS 29 HD2 HIS 29 -4.914 9.595 6.664 219 HE1 HIS 29 HE1 HIS 29 -1.821 6.695 6.478 220 HE2 HIS 29 HE2 HIS 29 -3.856 7.491 7.730 221 H LEU 30 H LEU 30 -1.921 9.058 2.623 222 HA LEU 30 HA LEU 30 -3.205 6.600 1.685 223 1HB LEU 30 2HB LEU 30 -1.673 6.557 0.109 224 2HB LEU 30 1HB LEU 30 -1.069 8.097 0.679 225 HG LEU 30 HG LEU 30 0.189 6.350 2.368 226 1HD1 LEU 30 2HD1 LEU 30 -0.752 4.814 0.152 227 2HD1 LEU 30 1HD1 LEU 30 1.009 4.902 0.100 228 3HD1 LEU 30 3HD1 LEU 30 0.200 4.294 1.544 229 1HD2 LEU 30 2HD2 LEU 30 0.883 7.877 -0.050 230 2HD2 LEU 30 1HD2 LEU 30 1.630 7.875 1.548 231 3HD2 LEU 30 3HD2 LEU 30 2.019 6.601 0.391 232 H ALA 31 H ALA 31 -3.237 4.886 2.892 233 HA ALA 31 HA ALA 31 -2.537 4.721 5.506 234 1HB ALA 31 1HB ALA 31 -3.292 2.833 3.456 235 2HB ALA 31 3HB ALA 31 -2.194 2.109 4.632 236 3HB ALA 31 2HB ALA 31 -3.696 2.859 5.174 237 H THR 32 H THR 32 -0.864 3.649 6.684 238 HA THR 32 HA THR 32 1.752 3.810 5.341 239 HB THR 32 HB THR 32 2.753 4.355 7.392 240 HG1 THR 32 HG1 THR 32 1.827 2.846 8.762 241 1HG2 THR 32 3HG2 THR 32 1.030 6.045 6.391 242 2HG2 THR 32 2HG2 THR 32 0.125 5.696 7.862 243 3HG2 THR 32 1HG2 THR 32 1.756 6.356 7.966 244 H TYR 33 H TYR 33 3.160 2.481 7.406 245 HA TYR 33 HA TYR 33 2.684 -0.258 6.621 246 1HB TYR 33 2HB TYR 33 4.976 0.367 6.751 247 2HB TYR 33 1HB TYR 33 4.768 1.071 8.348 248 HD1 TYR 33 HD1 TYR 33 4.307 -2.237 6.662 249 HD2 TYR 33 HD2 TYR 33 5.573 -0.132 10.136 250 HE1 TYR 33 HE1 TYR 33 4.993 -4.359 7.687 251 HE2 TYR 33 HE2 TYR 33 6.267 -2.251 11.172 252 HH TYR 33 HH TYR 33 5.872 -5.346 9.470 253 H LYS 34 H LYS 34 3.363 1.078 9.825 254 HA LYS 34 HA LYS 34 2.311 -0.899 11.370 255 1HB LYS 34 2HB LYS 34 2.260 2.081 11.853 256 2HB LYS 34 1HB LYS 34 1.832 0.898 13.078 257 1HG LYS 34 2HG LYS 34 4.148 -0.098 12.680 258 2HG LYS 34 1HG LYS 34 4.505 1.404 11.823 259 1HD LYS 34 2HD LYS 34 3.240 1.834 14.416 260 2HD LYS 34 1HD LYS 34 4.784 0.986 14.528 261 1HE LYS 34 2HE LYS 34 5.961 2.745 13.562 262 2HE LYS 34 1HE LYS 34 4.510 3.449 12.847 263 1HZ LYS 34 3HZ LYS 34 3.842 3.708 15.345 264 2HZ LYS 34 2HZ LYS 34 5.515 3.652 15.593 265 3HZ LYS 34 1HZ LYS 34 4.848 4.846 14.598 266 H GLN 35 H GLN 35 0.566 1.686 9.729 267 HA GLN 35 HA GLN 35 -1.951 1.203 10.927 268 1HB GLN 35 2HB GLN 35 -1.187 2.476 8.296 269 2HB GLN 35 1HB GLN 35 -2.825 2.449 8.926 270 1HG GLN 35 2HG GLN 35 -2.055 3.680 10.914 271 2HG GLN 35 1HG GLN 35 -0.441 3.759 10.208 272 1HE2 GLN 35 1HE2 GLN 35 -1.588 6.065 10.878 273 2HE2 GLN 35 2HE2 GLN 35 -2.104 6.939 9.479 274 H LEU 36 H LEU 36 -0.616 0.241 7.767 275 HA LEU 36 HA LEU 36 -2.782 -1.322 6.942 276 1HB LEU 36 2HB LEU 36 -0.226 -0.699 5.973 277 2HB LEU 36 1HB LEU 36 -0.257 -2.447 6.090 278 HG LEU 36 HG LEU 36 -0.921 -1.531 3.857 279 1HD1 LEU 36 3HD1 LEU 36 -2.892 -3.199 5.403 280 2HD1 LEU 36 2HD1 LEU 36 -2.956 -2.974 3.655 281 3HD1 LEU 36 1HD1 LEU 36 -1.560 -3.761 4.392 282 1HD2 LEU 36 3HD2 LEU 36 -2.814 -0.093 5.546 283 2HD2 LEU 36 2HD2 LEU 36 -2.261 0.255 3.908 284 3HD2 LEU 36 1HD2 LEU 36 -3.568 -0.899 4.171 285 H GLU 37 H GLU 37 -0.390 -1.849 9.326 286 HA GLU 37 HA GLU 37 -0.494 -4.699 9.401 287 1HB GLU 37 2HB GLU 37 1.389 -3.356 10.315 288 2HB GLU 37 1HB GLU 37 0.318 -2.770 11.579 289 1HG GLU 37 2HG GLU 37 -0.029 -5.350 11.991 290 2HG GLU 37 1HG GLU 37 1.558 -5.439 11.229 291 H ALA 38 H ALA 38 -1.693 -2.263 11.687 292 HA ALA 38 HA ALA 38 -3.278 -3.989 13.190 293 1HB ALA 38 2HB ALA 38 -2.549 -1.556 13.669 294 2HB ALA 38 3HB ALA 38 -4.114 -2.109 14.267 295 3HB ALA 38 1HB ALA 38 -4.027 -1.116 12.812 296 H ALA 39 H ALA 39 -3.727 -2.832 10.045 297 HA ALA 39 HA ALA 39 -6.626 -3.216 10.091 298 1HB ALA 39 2HB ALA 39 -4.854 -2.395 7.790 299 2HB ALA 39 3HB ALA 39 -5.659 -1.271 8.885 300 3HB ALA 39 1HB ALA 39 -6.616 -2.328 7.846 301 H ARG 40 H ARG 40 -3.675 -4.667 9.049 302 HA ARG 40 HA ARG 40 -4.747 -6.613 7.287 303 1HB ARG 40 2HB ARG 40 -2.427 -6.104 7.111 304 2HB ARG 40 1HB ARG 40 -2.172 -6.371 8.831 305 1HG ARG 40 2HG ARG 40 -3.195 -8.774 7.744 306 2HG ARG 40 1HG ARG 40 -1.908 -8.209 6.678 307 1HD ARG 40 2HD ARG 40 -0.541 -9.232 8.130 308 2HD ARG 40 1HD ARG 40 -0.796 -7.799 9.124 309 HE ARG 40 HE ARG 40 -2.837 -9.621 9.687 310 1HH1 ARG 40 2HH1 ARG 40 0.613 -9.317 10.057 311 2HH1 ARG 40 1HH1 ARG 40 0.678 -10.304 11.479 312 1HH2 ARG 40 1HH2 ARG 40 -2.762 -10.923 11.560 313 2HH2 ARG 40 2HH2 ARG 40 -1.239 -11.216 12.333 314 H LYS 41 H LYS 41 -4.205 -6.385 10.726 315 HA LYS 41 HA LYS 41 -4.528 -9.117 11.336 316 1HB LYS 41 2HB LYS 41 -5.235 -6.862 13.200 317 2HB LYS 41 1HB LYS 41 -4.641 -8.464 13.612 318 1HG LYS 41 2HG LYS 41 -2.520 -7.767 12.324 319 2HG LYS 41 1HG LYS 41 -3.141 -6.125 12.509 320 1HD LYS 41 2HD LYS 41 -2.949 -7.935 14.884 321 2HD LYS 41 1HD LYS 41 -1.515 -7.092 14.294 322 1HE LYS 41 2HE LYS 41 -2.614 -4.956 14.562 323 2HE LYS 41 1HE LYS 41 -4.113 -5.754 15.037 324 1HZ LYS 41 3HZ LYS 41 -1.670 -6.290 16.574 325 2HZ LYS 41 2HZ LYS 41 -2.485 -4.829 16.825 326 3HZ LYS 41 1HZ LYS 41 -3.285 -6.297 17.082 327 H ILE 42 H ILE 42 -6.757 -6.717 10.401 328 HA ILE 42 HA ILE 42 -9.041 -8.074 11.602 329 HB ILE 42 HB ILE 42 -10.348 -6.236 10.934 330 1HG1 ILE 42 2HG1 ILE 42 -8.364 -4.781 9.347 331 2HG1 ILE 42 1HG1 ILE 42 -8.842 -6.311 8.624 332 1HG2 ILE 42 3HG2 ILE 42 -7.580 -5.394 11.737 333 2HG2 ILE 42 2HG2 ILE 42 -8.885 -4.222 11.546 334 3HG2 ILE 42 1HG2 ILE 42 -9.031 -5.518 12.733 335 1HD1 ILE 42 2HD1 ILE 42 -11.096 -4.740 9.593 336 2HD1 ILE 42 1HD1 ILE 42 -10.153 -3.934 8.338 337 3HD1 ILE 42 3HD1 ILE 42 -10.843 -5.529 8.035 338 H GLY 43 H GLY 43 -7.301 -7.882 8.645 339 1HA GLY 43 1HA GLY 43 -9.489 -9.167 7.159 340 2HA GLY 43 2HA GLY 43 -7.932 -9.980 7.276 341 H PHE 44 H PHE 44 -6.733 -7.119 7.241 342 HA PHE 44 HA PHE 44 -7.283 -6.154 4.601 343 1HB PHE 44 2HB PHE 44 -6.356 -4.909 6.726 344 2HB PHE 44 1HB PHE 44 -4.802 -5.439 6.101 345 HD1 PHE 44 HD1 PHE 44 -5.018 -5.152 3.259 346 HD2 PHE 44 HD2 PHE 44 -6.589 -2.661 6.326 347 HE1 PHE 44 HE1 PHE 44 -4.981 -3.233 1.709 348 HE2 PHE 44 HE2 PHE 44 -6.565 -0.742 4.787 349 HZ PHE 44 HZ PHE 44 -5.760 -1.026 2.478 350 H HIS 45 H HIS 45 -6.910 -7.953 3.258 351 HA HIS 45 HA HIS 45 -4.072 -8.684 2.953 352 1HB HIS 45 2HB HIS 45 -5.480 -10.588 3.603 353 2HB HIS 45 1HB HIS 45 -6.529 -10.295 2.222 354 HD1 HIS 45 HD1 HIS 45 -5.020 -12.987 2.671 355 HD2 HIS 45 HD2 HIS 45 -3.702 -9.890 0.234 356 HE1 HIS 45 HE1 HIS 45 -3.468 -14.054 1.005 357 HE2 HIS 45 HE2 HIS 45 -2.605 -12.146 -0.393 358 H VAL 46 H VAL 46 -3.111 -7.986 1.172 359 HA VAL 46 HA VAL 46 -4.586 -7.831 -1.321 360 HB VAL 46 HB VAL 46 -4.840 -5.625 -1.389 361 1HG1 VAL 46 1HG1 VAL 46 -3.378 -5.532 1.242 362 2HG1 VAL 46 3HG1 VAL 46 -4.309 -4.206 0.544 363 3HG1 VAL 46 2HG1 VAL 46 -5.118 -5.703 1.012 364 1HG2 VAL 46 1HG2 VAL 46 -1.867 -5.517 -0.965 365 2HG2 VAL 46 3HG2 VAL 46 -2.750 -5.407 -2.488 366 3HG2 VAL 46 2HG2 VAL 46 -2.858 -4.099 -1.309 367 H CYS 47 H CYS 47 -3.380 -8.991 -2.644 368 HA CYS 47 HA CYS 47 -0.525 -9.216 -2.284 369 1HB CYS 47 2HB CYS 47 -2.291 -11.021 -3.081 370 2HB CYS 47 1HB CYS 47 -1.924 -10.350 -4.666 371 H ALA 48 H ALA 48 -0.169 -6.889 -2.680 372 HA ALA 48 HA ALA 48 0.924 -6.442 -5.228 373 1HB ALA 48 1HB ALA 48 -1.485 -6.257 -5.833 374 2HB ALA 48 2HB ALA 48 -0.546 -4.802 -6.168 375 3HB ALA 48 3HB ALA 48 -1.600 -4.865 -4.755 376 H ALA 49 H ALA 49 2.570 -5.125 -4.852 377 HA ALA 49 HA ALA 49 3.237 -3.925 -2.516 378 1HB ALA 49 1HB ALA 49 5.047 -3.522 -3.733 379 2HB ALA 49 3HB ALA 49 4.141 -3.768 -5.226 380 3HB ALA 49 2HB ALA 49 4.205 -2.168 -4.487 381 H GLY 50 H GLY 50 2.243 -2.479 -1.290 382 1HA GLY 50 2HA GLY 50 0.256 -1.047 -1.074 383 2HA GLY 50 1HA GLY 50 0.694 -0.348 -2.624 384 H TRP 51 H TRP 51 1.607 1.575 -2.516 385 HA TRP 51 HA TRP 51 3.828 2.287 -1.061 386 1HB TRP 51 2HB TRP 51 1.593 3.892 -2.255 387 2HB TRP 51 1HB TRP 51 2.870 4.692 -1.343 388 HD1 TRP 51 HD1 TRP 51 2.077 3.401 -4.733 389 HE1 TRP 51 HE1 TRP 51 4.160 3.545 -6.248 390 HE3 TRP 51 HE3 TRP 51 5.606 4.388 -1.169 391 HZ2 TRP 51 HZ2 TRP 51 6.931 4.015 -5.961 392 HZ3 TRP 51 HZ3 TRP 51 7.946 4.671 -1.868 393 HH2 TRP 51 HH2 TRP 51 8.593 4.488 -4.216 394 H MET 52 H MET 52 3.973 4.005 0.633 395 HA MET 52 HA MET 52 1.823 4.293 2.499 396 1HB MET 52 2HB MET 52 3.546 3.280 4.321 397 2HB MET 52 1HB MET 52 2.237 2.359 3.596 398 1HG MET 52 2HG MET 52 3.828 1.534 1.888 399 2HG MET 52 1HG MET 52 5.122 2.364 2.749 400 1HE MET 52 3HE MET 52 2.362 -0.049 2.749 401 2HE MET 52 2HE MET 52 2.988 -1.467 3.590 402 3HE MET 52 1HE MET 52 2.146 -0.208 4.493 403 H ALA 53 H ALA 53 2.613 5.490 4.505 404 HA ALA 53 HA ALA 53 3.790 7.869 3.825 405 1HB ALA 53 1HB ALA 53 3.966 8.354 6.151 406 2HB ALA 53 2HB ALA 53 3.995 6.640 6.566 407 3HB ALA 53 3HB ALA 53 2.523 7.367 5.922 408 H LYS 54 H LYS 54 5.840 8.817 4.662 409 HA LYS 54 HA LYS 54 8.105 8.864 4.958 410 1HB LYS 54 2HB LYS 54 7.497 6.051 5.518 411 2HB LYS 54 1HB LYS 54 9.112 6.311 4.875 412 1HG LYS 54 2HG LYS 54 8.276 8.129 7.039 413 2HG LYS 54 1HG LYS 54 8.502 6.439 7.483 414 1HD LYS 54 2HD LYS 54 10.753 6.559 6.355 415 2HD LYS 54 1HD LYS 54 10.511 8.304 6.240 416 1HE LYS 54 2HE LYS 54 11.854 7.546 8.217 417 2HE LYS 54 1HE LYS 54 10.447 8.538 8.603 418 1HZ LYS 54 1HZ LYS 54 10.525 5.572 8.752 419 2HZ LYS 54 3HZ LYS 54 10.676 6.614 10.077 420 3HZ LYS 54 2HZ LYS 54 9.231 6.564 9.201 421 H GLY 55 H GLY 55 6.729 6.696 2.566 422 1HA GLY 55 1HA GLY 55 8.833 7.581 0.692 423 2HA GLY 55 2HA GLY 55 7.176 7.211 0.226 424 H ARG 56 H ARG 56 7.437 4.877 2.236 425 HA ARG 56 HA ARG 56 9.060 3.092 0.558 426 1HB ARG 56 2HB ARG 56 9.218 1.621 2.430 427 2HB ARG 56 1HB ARG 56 9.548 3.242 3.024 428 1HG ARG 56 2HG ARG 56 6.839 3.015 3.379 429 2HG ARG 56 1HG ARG 56 7.421 1.388 3.733 430 1HD ARG 56 2HD ARG 56 8.070 3.970 5.093 431 2HD ARG 56 1HD ARG 56 7.549 2.439 5.795 432 HE ARG 56 HE ARG 56 9.930 1.773 4.799 433 1HH1 ARG 56 1HH1 ARG 56 8.935 4.521 6.691 434 2HH1 ARG 56 2HH1 ARG 56 10.474 4.714 7.460 435 1HH2 ARG 56 2HH2 ARG 56 11.962 2.015 5.806 436 2HH2 ARG 56 1HH2 ARG 56 12.196 3.289 6.957 437 H VAL 57 H VAL 57 8.207 0.962 0.073 438 HA VAL 57 HA VAL 57 5.293 0.725 0.217 439 HB VAL 57 HB VAL 57 5.298 1.498 -1.927 440 1HG1 VAL 57 2HG1 VAL 57 8.109 0.574 -1.964 441 2HG1 VAL 57 1HG1 VAL 57 7.272 0.701 -3.511 442 3HG1 VAL 57 3HG1 VAL 57 7.411 2.115 -2.465 443 1HG2 VAL 57 3HG2 VAL 57 4.408 -0.771 -1.995 444 2HG2 VAL 57 2HG2 VAL 57 5.204 -0.362 -3.515 445 3HG2 VAL 57 1HG2 VAL 57 6.018 -1.401 -2.345 446 H GLY 58 H GLY 58 4.696 -1.226 0.882 447 1HA GLY 58 2HA GLY 58 5.727 -3.250 1.962 448 2HA GLY 58 1HA GLY 58 6.538 -3.492 0.421 449 H TYR 59 H TYR 59 5.054 -5.531 1.437 450 HA TYR 59 HA TYR 59 2.430 -5.413 0.160 451 1HB TYR 59 2HB TYR 59 3.570 -7.919 -0.588 452 2HB TYR 59 1HB TYR 59 2.976 -6.628 -1.629 453 HD1 TYR 59 HD1 TYR 59 4.555 -4.833 -2.376 454 HD2 TYR 59 HD2 TYR 59 5.891 -8.326 -0.349 455 HE1 TYR 59 HE1 TYR 59 6.842 -4.415 -3.175 456 HE2 TYR 59 HE2 TYR 59 8.182 -7.917 -1.141 457 HH TYR 59 HH TYR 59 9.306 -5.163 -2.180 458 HA PRO 60 HA PRO 60 2.047 -7.854 3.964 459 1HB PRO 60 2HB PRO 60 -0.350 -6.896 4.687 460 2HB PRO 60 1HB PRO 60 1.131 -5.969 4.932 461 1HG PRO 60 2HG PRO 60 -0.982 -5.657 2.859 462 2HG PRO 60 1HG PRO 60 -0.021 -4.418 3.680 463 1HD PRO 60 2HD PRO 60 0.460 -5.423 1.120 464 2HD PRO 60 1HD PRO 60 1.619 -4.519 2.113 465 H ILE 61 H ILE 61 1.338 -9.900 3.943 466 HA ILE 61 HA ILE 61 -1.193 -10.536 2.612 467 HB ILE 61 HB ILE 61 1.372 -12.049 2.102 468 1HG1 ILE 61 1HG1 ILE 61 1.040 -9.828 0.905 469 2HG1 ILE 61 2HG1 ILE 61 1.289 -11.233 -0.127 470 1HG2 ILE 61 2HG2 ILE 61 -0.935 -13.268 2.274 471 2HG2 ILE 61 1HG2 ILE 61 -1.195 -12.570 0.674 472 3HG2 ILE 61 3HG2 ILE 61 0.175 -13.645 0.957 473 1HD1 ILE 61 3HD1 ILE 61 -1.417 -11.188 0.071 474 2HD1 ILE 61 2HD1 ILE 61 -1.024 -9.469 0.123 475 3HD1 ILE 61 1HD1 ILE 61 -0.483 -10.457 -1.234 476 H VAL 62 H VAL 62 -2.387 -11.388 4.184 477 HA VAL 62 HA VAL 62 -1.336 -12.585 6.521 478 HB VAL 62 HB VAL 62 -3.762 -13.422 6.785 479 1HG1 VAL 62 1HG1 VAL 62 -2.663 -10.703 6.904 480 2HG1 VAL 62 3HG1 VAL 62 -4.423 -10.794 6.917 481 3HG1 VAL 62 2HG1 VAL 62 -3.488 -11.651 8.141 482 1HG2 VAL 62 2HG2 VAL 62 -4.051 -11.637 4.373 483 2HG2 VAL 62 1HG2 VAL 62 -4.460 -13.349 4.490 484 3HG2 VAL 62 3HG2 VAL 62 -5.392 -12.156 5.395 485 H LYS 63 H LYS 63 -2.699 -13.921 3.542 486 HA LYS 63 HA LYS 63 -1.837 -16.595 4.424 487 1HB LYS 63 2HB LYS 63 -4.225 -15.642 2.964 488 2HB LYS 63 1HB LYS 63 -3.505 -17.126 2.360 489 1HG LYS 63 2HG LYS 63 -3.903 -18.274 4.348 490 2HG LYS 63 1HG LYS 63 -4.140 -16.785 5.266 491 1HD LYS 63 2HD LYS 63 -6.171 -16.372 3.806 492 2HD LYS 63 1HD LYS 63 -5.985 -18.034 3.246 493 1HE LYS 63 2HE LYS 63 -7.595 -18.003 5.020 494 2HE LYS 63 1HE LYS 63 -6.133 -18.793 5.602 495 1HZ LYS 63 2HZ LYS 63 -6.596 -15.916 6.071 496 2HZ LYS 63 1HZ LYS 63 -7.254 -17.083 7.104 497 3HZ LYS 63 3HZ LYS 63 -5.576 -16.974 6.908 498 HA PRO 64 HA PRO 64 1.088 -15.487 1.045 499 1HB PRO 64 2HB PRO 64 2.989 -17.263 1.925 500 2HB PRO 64 1HB PRO 64 2.869 -15.588 2.466 501 1HG PRO 64 2HG PRO 64 1.916 -18.085 3.796 502 2HG PRO 64 1HG PRO 64 2.677 -16.654 4.511 503 1HD PRO 64 2HD PRO 64 0.017 -17.095 4.651 504 2HD PRO 64 1HD PRO 64 0.701 -15.460 4.534 505 H GLY 65 H GLY 65 1.593 -16.606 -0.819 506 1HA GLY 65 2HA GLY 65 0.202 -18.293 -2.134 507 2HA GLY 65 1HA GLY 65 0.772 -19.437 -0.928 508 HA PRO 66 HA PRO 66 3.832 -20.113 -4.165 509 1HB PRO 66 2HB PRO 66 3.134 -19.259 -6.658 510 2HB PRO 66 1HB PRO 66 2.489 -20.728 -5.919 511 1HG PRO 66 2HG PRO 66 1.257 -18.007 -6.118 512 2HG PRO 66 1HG PRO 66 0.507 -19.595 -6.357 513 1HD PRO 66 2HD PRO 66 0.216 -18.190 -4.068 514 2HD PRO 66 1HD PRO 66 0.272 -19.965 -4.090 515 H ASN 67 H ASN 67 2.810 -17.248 -5.961 516 HA ASN 67 HA ASN 67 5.433 -16.048 -5.398 517 1HB ASN 67 2HB ASN 67 4.253 -14.593 -7.462 518 2HB ASN 67 1HB ASN 67 5.507 -15.820 -7.626 519 1HD2 ASN 67 2HD2 ASN 67 1.998 -15.435 -7.417 520 2HD2 ASN 67 1HD2 ASN 67 1.617 -16.739 -8.484 521 H CYS 68 H CYS 68 2.296 -15.846 -4.415 522 HA CYS 68 HA CYS 68 1.764 -13.089 -4.377 523 1HB CYS 68 2HB CYS 68 0.501 -15.421 -3.467 524 2HB CYS 68 1HB CYS 68 0.721 -14.424 -2.033 525 H GLY 69 H GLY 69 3.897 -15.036 -2.490 526 1HA GLY 69 1HA GLY 69 4.116 -13.669 -0.108 527 2HA GLY 69 2HA GLY 69 5.070 -12.742 -1.259 528 H PHE 70 H PHE 70 5.071 -15.929 -2.198 529 HA PHE 70 HA PHE 70 6.644 -17.570 -2.200 530 1HB PHE 70 2HB PHE 70 8.222 -15.128 -1.569 531 2HB PHE 70 1HB PHE 70 9.003 -16.685 -1.313 532 HD1 PHE 70 HD1 PHE 70 8.674 -18.375 -3.352 533 HD2 PHE 70 HD2 PHE 70 8.504 -14.131 -3.610 534 HE1 PHE 70 HE1 PHE 70 9.215 -18.504 -5.748 535 HE2 PHE 70 HE2 PHE 70 9.043 -14.251 -6.007 536 HZ PHE 70 HZ PHE 70 9.399 -16.440 -7.080 537 H GLY 71 H GLY 71 4.950 -17.217 0.105 538 1HA GLY 71 1HA GLY 71 6.380 -18.931 1.929 539 2HA GLY 71 2HA GLY 71 4.708 -18.404 2.081 540 H LYS 72 H LYS 72 5.683 -15.553 1.713 541 HA LYS 72 HA LYS 72 7.213 -15.078 4.126 542 1HB LYS 72 2HB LYS 72 6.284 -13.437 1.827 543 2HB LYS 72 1HB LYS 72 6.568 -12.602 3.350 544 1HG LYS 72 2HG LYS 72 8.846 -13.256 3.385 545 2HG LYS 72 1HG LYS 72 8.607 -14.392 2.055 546 1HD LYS 72 2HD LYS 72 8.237 -12.606 0.505 547 2HD LYS 72 1HD LYS 72 8.218 -11.414 1.807 548 1HE LYS 72 2HE LYS 72 10.360 -11.135 1.079 549 2HE LYS 72 1HE LYS 72 10.623 -12.411 2.268 550 1HZ LYS 72 2HZ LYS 72 9.970 -13.650 -0.133 551 2HZ LYS 72 1HZ LYS 72 11.116 -12.462 -0.503 552 3HZ LYS 72 3HZ LYS 72 11.468 -13.644 0.655 553 H THR 73 H THR 73 6.484 -13.694 5.842 554 HA THR 73 HA THR 73 3.558 -13.607 6.146 555 HB THR 73 HB THR 73 4.421 -13.809 8.720 556 HG1 THR 73 HG1 THR 73 6.546 -14.419 7.576 557 1HG2 THR 73 2HG2 THR 73 3.601 -16.006 6.823 558 2HG2 THR 73 1HG2 THR 73 3.655 -16.181 8.577 559 3HG2 THR 73 3HG2 THR 73 2.544 -15.027 7.839 560 H GLY 74 H GLY 74 2.730 -11.713 6.810 561 1HA GLY 74 2HA GLY 74 4.447 -9.775 8.170 562 2HA GLY 74 1HA GLY 74 2.699 -9.676 8.002 563 H ILE 75 H ILE 75 3.999 -7.411 7.532 564 HA ILE 75 HA ILE 75 3.462 -6.942 4.743 565 HB ILE 75 HB ILE 75 4.674 -4.940 6.624 566 1HG1 ILE 75 2HG1 ILE 75 2.124 -6.272 6.881 567 2HG1 ILE 75 1HG1 ILE 75 2.884 -5.107 7.959 568 1HG2 ILE 75 1HG2 ILE 75 4.175 -4.734 4.004 569 2HG2 ILE 75 3HG2 ILE 75 2.604 -4.238 4.638 570 3HG2 ILE 75 2HG2 ILE 75 4.062 -3.371 5.121 571 1HD1 ILE 75 2HD1 ILE 75 2.012 -3.300 6.471 572 2HD1 ILE 75 1HD1 ILE 75 1.093 -4.540 5.619 573 3HD1 ILE 75 3HD1 ILE 75 0.782 -4.228 7.327 574 H ILE 76 H ILE 76 4.995 -7.845 3.451 575 HA ILE 76 HA ILE 76 7.784 -7.746 4.014 576 HB ILE 76 HB ILE 76 6.477 -8.238 1.337 577 1HG1 ILE 76 2HG1 ILE 76 5.499 -9.833 2.790 578 2HG1 ILE 76 1HG1 ILE 76 6.828 -10.682 2.009 579 1HG2 ILE 76 3HG2 ILE 76 9.129 -7.901 1.951 580 2HG2 ILE 76 2HG2 ILE 76 8.938 -9.654 1.995 581 3HG2 ILE 76 1HG2 ILE 76 8.498 -8.755 0.543 582 1HD1 ILE 76 2HD1 ILE 76 8.206 -10.124 4.051 583 2HD1 ILE 76 1HD1 ILE 76 6.693 -9.626 4.810 584 3HD1 ILE 76 3HD1 ILE 76 6.904 -11.293 4.271 585 H ASP 77 H ASP 77 8.013 -5.466 4.448 586 HA ASP 77 HA ASP 77 8.026 -3.778 2.039 587 1HB ASP 77 2HB ASP 77 6.697 -2.641 3.562 588 2HB ASP 77 1HB ASP 77 7.632 -3.193 4.948 589 H TYR 78 H TYR 78 9.942 -3.476 1.137 590 HA TYR 78 HA TYR 78 12.374 -4.084 2.547 591 1HB TYR 78 2HB TYR 78 11.902 -3.030 -0.248 592 2HB TYR 78 1HB TYR 78 13.449 -3.573 0.383 593 HD1 TYR 78 HD1 TYR 78 9.988 -4.980 0.471 594 HD2 TYR 78 HD2 TYR 78 14.070 -5.584 -0.561 595 HE1 TYR 78 HE1 TYR 78 9.461 -7.275 -0.233 596 HE2 TYR 78 HE2 TYR 78 13.556 -7.882 -1.271 597 HH TYR 78 HH TYR 78 11.240 -9.064 -2.147 598 H GLY 79 H GLY 79 10.521 -1.579 2.965 599 1HA GLY 79 2HA GLY 79 12.610 0.153 3.818 600 2HA GLY 79 1HA GLY 79 10.890 0.538 3.792 601 H ILE 80 H ILE 80 11.904 2.678 3.150 602 HA ILE 80 HA ILE 80 11.327 3.286 0.525 603 HB ILE 80 HB ILE 80 13.370 4.807 2.111 604 1HG1 ILE 80 2HG1 ILE 80 10.371 4.874 2.460 605 2HG1 ILE 80 1HG1 ILE 80 11.515 4.176 3.594 606 1HG2 ILE 80 3HG2 ILE 80 11.447 5.410 -0.082 607 2HG2 ILE 80 2HG2 ILE 80 11.868 6.690 1.056 608 3HG2 ILE 80 1HG2 ILE 80 13.129 5.902 0.108 609 1HD1 ILE 80 2HD1 ILE 80 11.638 7.058 2.791 610 2HD1 ILE 80 1HD1 ILE 80 10.632 6.488 4.121 611 3HD1 ILE 80 3HD1 ILE 80 12.380 6.271 4.183 612 H ARG 81 H ARG 81 12.408 3.322 -1.344 613 HA ARG 81 HA ARG 81 15.209 2.396 -1.318 614 1HB ARG 81 2HB ARG 81 13.258 1.978 -3.579 615 2HB ARG 81 1HB ARG 81 14.829 1.218 -3.355 616 1HG ARG 81 2HG ARG 81 12.554 0.805 -1.439 617 2HG ARG 81 1HG ARG 81 12.788 -0.199 -2.871 618 1HD ARG 81 2HD ARG 81 15.017 0.232 -0.917 619 2HD ARG 81 1HD ARG 81 13.777 -0.984 -0.616 620 HE ARG 81 HE ARG 81 14.790 -1.320 -3.217 621 1HH1 ARG 81 1HH1 ARG 81 15.743 -1.704 0.111 622 2HH1 ARG 81 2HH1 ARG 81 16.864 -2.981 -0.222 623 1HH2 ARG 81 1HH2 ARG 81 16.264 -3.000 -3.667 624 2HH2 ARG 81 2HH2 ARG 81 17.161 -3.718 -2.371 625 H LEU 82 H LEU 82 13.836 5.152 -1.418 626 HA LEU 82 HA LEU 82 14.093 7.154 -2.483 627 1HB LEU 82 2HB LEU 82 16.667 5.843 -2.348 628 2HB LEU 82 1HB LEU 82 16.575 6.929 -3.716 629 HG LEU 82 HG LEU 82 17.437 7.766 -1.379 630 1HD1 LEU 82 3HD1 LEU 82 15.596 9.260 -3.233 631 2HD1 LEU 82 2HD1 LEU 82 16.518 10.036 -1.945 632 3HD1 LEU 82 1HD1 LEU 82 17.360 9.213 -3.258 633 1HD2 LEU 82 3HD2 LEU 82 14.444 7.989 -1.124 634 2HD2 LEU 82 2HD2 LEU 82 15.550 7.132 -0.050 635 3HD2 LEU 82 1HD2 LEU 82 15.597 8.893 -0.139 636 H ASN 83 H ASN 83 12.519 5.608 -3.986 637 HA ASN 83 HA ASN 83 13.085 6.557 -6.648 638 1HB ASN 83 2HB ASN 83 14.242 4.276 -6.391 639 2HB ASN 83 1HB ASN 83 12.618 3.595 -6.357 640 1HD2 ASN 83 1HD2 ASN 83 13.841 6.317 -8.238 641 2HD2 ASN 83 2HD2 ASN 83 13.544 5.610 -9.786 642 H ARG 84 H ARG 84 11.119 7.512 -5.229 643 HA ARG 84 HA ARG 84 8.698 6.162 -5.082 644 1HB ARG 84 2HB ARG 84 8.931 9.097 -5.720 645 2HB ARG 84 1HB ARG 84 7.677 8.282 -4.799 646 1HG ARG 84 2HG ARG 84 8.797 8.506 -2.899 647 2HG ARG 84 1HG ARG 84 10.286 7.892 -3.619 648 1HD ARG 84 2HD ARG 84 9.759 10.505 -4.642 649 2HD ARG 84 1HD ARG 84 9.667 10.545 -2.882 650 HE ARG 84 HE ARG 84 11.940 9.321 -3.089 651 1HH1 ARG 84 2HH1 ARG 84 10.758 11.846 -5.177 652 2HH1 ARG 84 1HH1 ARG 84 12.339 12.433 -5.576 653 1HH2 ARG 84 1HH2 ARG 84 14.025 10.087 -3.610 654 2HH2 ARG 84 2HH2 ARG 84 14.194 11.433 -4.686 655 H SER 85 H SER 85 10.436 7.064 -7.822 656 HA SER 85 HA SER 85 8.216 7.505 -9.588 657 1HB SER 85 2HB SER 85 10.939 7.995 -9.715 658 2HB SER 85 1HB SER 85 10.708 6.684 -10.871 659 HG SER 85 HG SER 85 8.740 8.365 -11.276 660 H GLU 86 H GLU 86 8.675 4.902 -7.972 661 HA GLU 86 HA GLU 86 8.925 2.884 -10.004 662 1HB GLU 86 2HB GLU 86 8.355 2.877 -7.060 663 2HB GLU 86 1HB GLU 86 8.095 1.421 -8.010 664 1HG GLU 86 2HG GLU 86 10.686 2.657 -8.492 665 2HG GLU 86 1HG GLU 86 10.442 2.170 -6.815 666 H ARG 87 H ARG 87 7.012 1.036 -9.491 667 HA ARG 87 HA ARG 87 4.450 2.417 -9.843 668 1HB ARG 87 2HB ARG 87 3.937 0.660 -11.634 669 2HB ARG 87 1HB ARG 87 4.957 2.020 -12.078 670 1HG ARG 87 2HG ARG 87 6.503 0.608 -12.779 671 2HG ARG 87 1HG ARG 87 6.667 -0.008 -11.134 672 1HD ARG 87 2HD ARG 87 4.431 -1.299 -11.913 673 2HD ARG 87 1HD ARG 87 5.266 -1.154 -13.460 674 HE ARG 87 HE ARG 87 6.609 -2.313 -11.110 675 1HH1 ARG 87 2HH1 ARG 87 5.525 -2.521 -14.415 676 2HH1 ARG 87 1HH1 ARG 87 6.369 -4.000 -14.734 677 1HH2 ARG 87 2HH2 ARG 87 7.722 -4.260 -11.520 678 2HH2 ARG 87 1HH2 ARG 87 7.618 -4.988 -13.088 679 H TRP 88 H TRP 88 3.174 1.730 -8.313 680 HA TRP 88 HA TRP 88 2.636 -1.083 -7.956 681 1HB TRP 88 2HB TRP 88 3.278 0.359 -5.414 682 2HB TRP 88 1HB TRP 88 3.307 -1.366 -5.758 683 HD1 TRP 88 HD1 TRP 88 5.505 1.685 -5.674 684 HE1 TRP 88 HE1 TRP 88 7.928 1.007 -6.222 685 HE3 TRP 88 HE3 TRP 88 4.674 -3.110 -7.243 686 HZ2 TRP 88 HZ2 TRP 88 9.303 -1.260 -7.191 687 HZ3 TRP 88 HZ3 TRP 88 6.597 -4.466 -7.962 688 HH2 TRP 88 HH2 TRP 88 8.863 -3.558 -7.936 689 H ASP 89 H ASP 89 0.989 -1.220 -5.957 690 HA ASP 89 HA ASP 89 -1.213 0.441 -6.706 691 1HB ASP 89 2HB ASP 89 -1.165 -1.293 -4.251 692 2HB ASP 89 1HB ASP 89 -2.515 -0.918 -5.314 693 H ALA 90 H ALA 90 -2.540 1.038 -4.414 694 HA ALA 90 HA ALA 90 -0.739 2.599 -2.729 695 1HB ALA 90 1HB ALA 90 -1.300 4.086 -4.587 696 2HB ALA 90 2HB ALA 90 -1.981 4.663 -3.066 697 3HB ALA 90 3HB ALA 90 -3.016 3.862 -4.248 698 H TYR 91 H TYR 91 -1.394 2.656 -0.657 699 HA TYR 91 HA TYR 91 -3.984 1.474 -0.007 700 1HB TYR 91 2HB TYR 91 -1.480 2.027 1.575 701 2HB TYR 91 1HB TYR 91 -2.993 1.615 2.367 702 HD1 TYR 91 HD1 TYR 91 -4.162 -0.584 1.383 703 HD2 TYR 91 HD2 TYR 91 -0.010 0.321 1.112 704 HE1 TYR 91 HE1 TYR 91 -3.664 -2.968 1.064 705 HE2 TYR 91 HE2 TYR 91 0.493 -2.064 0.795 706 HH TYR 91 HH TYR 91 -2.086 -4.462 0.497 707 H CYS 92 H CYS 92 -5.649 2.819 0.268 708 HA CYS 92 HA CYS 92 -5.152 5.617 0.886 709 1HB CYS 92 2HB CYS 92 -7.461 4.049 -0.158 710 2HB CYS 92 1HB CYS 92 -7.801 5.563 0.673 711 H TYR 93 H TYR 93 -6.153 6.736 2.588 712 HA TYR 93 HA TYR 93 -7.373 5.198 4.732 713 1HB TYR 93 2HB TYR 93 -4.940 5.099 5.166 714 2HB TYR 93 1HB TYR 93 -4.878 6.856 5.152 715 HD1 TYR 93 HD1 TYR 93 -6.413 8.071 6.855 716 HD2 TYR 93 HD2 TYR 93 -5.275 3.986 7.185 717 HE1 TYR 93 HE1 TYR 93 -6.922 8.139 9.254 718 HE2 TYR 93 HE2 TYR 93 -5.783 4.037 9.594 719 HH TYR 93 HH TYR 93 -7.380 6.747 11.081 720 H ASN 94 H ASN 94 -9.113 6.310 5.329 721 HA ASN 94 HA ASN 94 -8.928 9.237 5.491 722 1HB ASN 94 2HB ASN 94 -11.282 7.699 4.373 723 2HB ASN 94 1HB ASN 94 -11.214 9.442 4.614 724 1HD2 ASN 94 2HD2 ASN 94 -11.792 8.322 2.172 725 2HD2 ASN 94 1HD2 ASN 94 -10.500 8.650 1.073 726 HA PRO 95 HA PRO 95 -10.332 8.846 9.647 727 1HB PRO 95 2HB PRO 95 -12.107 11.136 8.935 728 2HB PRO 95 1HB PRO 95 -10.999 10.952 10.302 729 1HG PRO 95 2HG PRO 95 -10.356 12.483 8.212 730 2HG PRO 95 1HG PRO 95 -9.138 11.495 9.037 731 1HD PRO 95 1HD PRO 95 -10.451 11.074 6.402 732 2HD PRO 95 2HD PRO 95 -8.816 10.635 6.934 733 H HIS 96 H HIS 96 -12.643 9.266 7.027 734 HA HIS 96 HA HIS 96 -14.545 7.567 8.502 735 1HB HIS 96 2HB HIS 96 -14.966 10.072 6.956 736 2HB HIS 96 1HB HIS 96 -16.190 8.817 6.789 737 HD1 HIS 96 HD1 HIS 96 -16.796 7.814 9.427 738 HD2 HIS 96 HD2 HIS 96 -15.702 11.788 8.894 739 HE1 HIS 96 HE1 HIS 96 -17.669 9.029 11.449 740 HE2 HIS 96 HE2 HIS 96 -17.052 11.442 11.073 741 H ALA 97 H ALA 97 -13.020 8.349 5.455 742 HA ALA 97 HA ALA 97 -13.226 7.369 3.359 743 1HB ALA 97 1HB ALA 97 -11.399 6.152 3.910 744 2HB ALA 97 2HB ALA 97 -12.543 4.816 3.769 745 3HB ALA 97 3HB ALA 97 -12.149 5.475 5.357 746 H LYS 98 H LYS 98 -15.769 7.703 3.980 747 HA LYS 98 HA LYS 98 -17.299 5.323 4.234 748 1HB LYS 98 2HB LYS 98 -18.117 7.603 4.828 749 2HB LYS 98 1HB LYS 98 -18.170 7.993 3.113 750 1HG LYS 98 2HG LYS 98 -19.742 6.022 2.858 751 2HG LYS 98 1HG LYS 98 -19.845 6.010 4.619 752 1HD LYS 98 2HD LYS 98 -21.651 7.332 4.048 753 2HD LYS 98 1HD LYS 98 -20.397 8.538 4.337 754 1HE LYS 98 2HE LYS 98 -20.056 8.893 2.040 755 2HE LYS 98 1HE LYS 98 -20.914 7.417 1.600 756 1HZ LYS 98 2HZ LYS 98 -22.419 9.454 3.051 757 2HZ LYS 98 1HZ LYS 98 -22.029 9.790 1.440 758 3HZ LYS 98 3HZ LYS 98 -22.924 8.406 1.823 No H/Q in entry = 758
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