NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15410 | 1y5o | 6225 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HT1 PRO 1 HT2 PRO 1 -12.620 11.275 7.360 2 HT2 PRO 1 HT1 PRO 1 -13.350 10.085 6.379 3 HA PRO 1 HA PRO 1 -10.907 10.046 7.647 4 1HB PRO 1 2HB PRO 1 -12.286 7.592 8.489 5 2HB PRO 1 1HB PRO 1 -11.144 8.606 9.378 6 1HG PRO 1 2HG PRO 1 -13.802 8.570 9.927 7 2HG PRO 1 1HG PRO 1 -12.788 10.001 10.169 8 1HD PRO 1 2HD PRO 1 -14.753 9.410 7.996 9 2HD PRO 1 1HD PRO 1 -14.349 10.959 8.761 10 H SER 2 H SER 2 -11.838 10.043 5.044 11 HA SER 2 HA SER 2 -11.965 7.381 3.983 12 1HB SER 2 2HB SER 2 -11.446 9.956 2.484 13 2HB SER 2 1HB SER 2 -12.038 8.436 1.814 14 HG SER 2 HG SER 2 -13.397 10.428 3.105 15 H HIS 3 H HIS 3 -9.471 9.801 4.444 16 HA HIS 3 HA HIS 3 -7.512 8.415 2.870 17 1HB HIS 3 2HB HIS 3 -7.428 10.786 4.712 18 2HB HIS 3 1HB HIS 3 -5.944 10.076 4.087 19 HD1 HIS 3 HD1 HIS 3 -8.981 11.989 3.008 20 HD2 HIS 3 HD2 HIS 3 -5.413 10.592 1.402 21 HE1 HIS 3 HE1 HIS 3 -8.771 13.107 0.766 22 HE2 HIS 3 HE2 HIS 3 -6.562 12.313 -0.150 23 H SER 4 H SER 4 -8.615 8.258 6.121 24 HA SER 4 HA SER 4 -6.392 6.436 6.773 25 1HB SER 4 2HB SER 4 -6.664 7.107 9.140 26 2HB SER 4 1HB SER 4 -6.219 8.470 8.113 27 HG SER 4 HG SER 4 -8.246 9.264 8.268 28 H GLY 5 H GLY 5 -6.930 4.427 7.282 29 1HA GLY 5 2HA GLY 5 -9.479 3.812 8.518 30 2HA GLY 5 1HA GLY 5 -9.285 3.199 6.881 31 H ALA 6 H ALA 6 -9.634 1.601 9.233 32 HA ALA 6 HA ALA 6 -7.139 0.584 10.110 33 1HB ALA 6 1HB ALA 6 -9.873 -0.667 10.232 34 2HB ALA 6 2HB ALA 6 -9.112 0.323 11.479 35 3HB ALA 6 3HB ALA 6 -8.437 -1.257 11.071 36 H ALA 7 H ALA 7 -5.946 -1.111 9.431 37 HA ALA 7 HA ALA 7 -6.912 -2.927 7.420 38 1HB ALA 7 1HB ALA 7 -5.215 -2.392 5.747 39 2HB ALA 7 2HB ALA 7 -4.663 -1.043 6.740 40 3HB ALA 7 3HB ALA 7 -6.284 -1.019 6.041 41 H ILE 8 H ILE 8 -5.670 -4.799 7.199 42 HA ILE 8 HA ILE 8 -3.691 -5.196 9.318 43 HB ILE 8 HB ILE 8 -4.905 -7.255 7.483 44 1HG1 ILE 8 2HG1 ILE 8 -5.728 -6.738 10.329 45 2HG1 ILE 8 1HG1 ILE 8 -6.543 -5.980 8.960 46 1HG2 ILE 8 1HG2 ILE 8 -3.893 -8.879 8.713 47 2HG2 ILE 8 2HG2 ILE 8 -3.857 -7.904 10.180 48 3HG2 ILE 8 3HG2 ILE 8 -2.693 -7.602 8.891 49 1HD1 ILE 8 1HD1 ILE 8 -6.157 -8.921 8.971 50 2HD1 ILE 8 2HD1 ILE 8 -7.423 -7.945 8.221 51 3HD1 ILE 8 3HD1 ILE 8 -7.430 -8.208 9.966 52 H PHE 9 H PHE 9 -1.638 -5.885 8.956 53 HA PHE 9 HA PHE 9 -0.751 -6.390 6.230 54 1HB PHE 9 2HB PHE 9 -0.421 -3.981 6.497 55 2HB PHE 9 1HB PHE 9 0.492 -4.256 7.974 56 HD1 PHE 9 HD1 PHE 9 2.739 -3.936 7.733 57 HD2 PHE 9 HD2 PHE 9 0.550 -5.626 4.503 58 HE1 PHE 9 HE1 PHE 9 4.815 -4.106 6.423 59 HE2 PHE 9 HE2 PHE 9 2.619 -5.800 3.184 60 HZ PHE 9 HZ PHE 9 4.757 -5.039 4.145 61 H GLU 10 H GLU 10 0.011 -8.372 6.498 62 HA GLU 10 HA GLU 10 1.481 -10.012 7.067 63 1HB GLU 10 2HB GLU 10 2.634 -8.119 9.112 64 2HB GLU 10 1HB GLU 10 3.374 -9.584 8.488 65 1HG GLU 10 2HG GLU 10 3.464 -8.537 6.251 66 2HG GLU 10 1HG GLU 10 2.832 -7.050 6.959 67 H LYS 11 H LYS 11 -1.014 -10.174 8.016 68 HA LYS 11 HA LYS 11 -2.309 -11.229 9.515 69 1HB LYS 11 2HB LYS 11 0.422 -12.161 10.185 70 2HB LYS 11 1HB LYS 11 -0.899 -12.598 11.263 71 1HG LYS 11 2HG LYS 11 -1.990 -13.827 9.604 72 2HG LYS 11 1HG LYS 11 -1.068 -13.055 8.310 73 1HD LYS 11 2HD LYS 11 0.137 -14.871 10.398 74 2HD LYS 11 1HD LYS 11 -0.391 -15.414 8.804 75 1HE LYS 11 2HE LYS 11 1.171 -13.310 8.129 76 2HE LYS 11 1HE LYS 11 1.986 -13.865 9.591 77 1HZ LYS 11 1HZ LYS 11 2.659 -15.755 8.605 78 2HZ LYS 11 2HZ LYS 11 2.460 -14.866 7.179 79 3HZ LYS 11 3HZ LYS 11 1.248 -15.930 7.687 80 H VAL 12 H VAL 12 -0.900 -8.495 10.217 81 HA VAL 12 HA VAL 12 -1.858 -8.498 12.973 82 HB VAL 12 HB VAL 12 0.452 -6.893 11.876 83 1HG1 VAL 12 1HG1 VAL 12 -0.931 -5.635 13.497 84 2HG1 VAL 12 2HG1 VAL 12 0.698 -5.962 14.089 85 3HG1 VAL 12 3HG1 VAL 12 -0.661 -6.919 14.678 86 1HG2 VAL 12 1HG2 VAL 12 1.182 -9.114 12.278 87 2HG2 VAL 12 2HG2 VAL 12 0.318 -9.190 13.814 88 3HG2 VAL 12 3HG2 VAL 12 1.728 -8.144 13.646 89 H SER 13 H SER 13 -3.272 -6.866 13.495 90 HA SER 13 HA SER 13 -4.122 -5.213 11.228 91 1HB SER 13 2HB SER 13 -5.799 -6.711 12.323 92 2HB SER 13 1HB SER 13 -5.618 -5.765 13.801 93 HG SER 13 HG SER 13 -6.255 -3.918 12.509 94 H GLY 14 H GLY 14 -4.403 -3.059 11.342 95 1HA GLY 14 2HA GLY 14 -3.998 -1.548 13.745 96 2HA GLY 14 1HA GLY 14 -2.616 -1.476 12.654 97 H ILE 15 H ILE 15 -3.582 0.894 13.003 98 HA ILE 15 HA ILE 15 -5.714 1.413 11.091 99 HB ILE 15 HB ILE 15 -4.270 3.231 13.010 100 1HG1 ILE 15 2HG1 ILE 15 -6.470 1.448 13.247 101 2HG1 ILE 15 1HG1 ILE 15 -5.838 2.555 14.461 102 1HG2 ILE 15 1HG2 ILE 15 -4.816 4.525 11.046 103 2HG2 ILE 15 2HG2 ILE 15 -5.921 4.954 12.351 104 3HG2 ILE 15 3HG2 ILE 15 -6.464 3.896 11.048 105 1HD1 ILE 15 1HD1 ILE 15 -8.023 3.082 12.464 106 2HD1 ILE 15 2HD1 ILE 15 -7.314 4.321 13.500 107 3HD1 ILE 15 3HD1 ILE 15 -8.170 2.957 14.217 108 H ILE 16 H ILE 16 -5.423 2.098 9.109 109 HA ILE 16 HA ILE 16 -2.706 2.713 8.215 110 HB ILE 16 HB ILE 16 -4.981 1.281 7.094 111 1HG1 ILE 16 2HG1 ILE 16 -2.029 1.474 6.510 112 2HG1 ILE 16 1HG1 ILE 16 -2.893 0.195 7.352 113 1HG2 ILE 16 1HG2 ILE 16 -4.547 2.007 4.721 114 2HG2 ILE 16 2HG2 ILE 16 -3.682 3.397 5.380 115 3HG2 ILE 16 3HG2 ILE 16 -5.398 3.183 5.722 116 1HD1 ILE 16 1HD1 ILE 16 -4.032 0.342 4.798 117 2HD1 ILE 16 2HD1 ILE 16 -2.987 -0.921 5.451 118 3HD1 ILE 16 3HD1 ILE 16 -2.285 0.438 4.573 119 H ALA 17 H ALA 17 -2.173 4.744 7.815 120 HA ALA 17 HA ALA 17 -4.305 6.670 7.155 121 1HB ALA 17 1HB ALA 17 -3.405 7.152 9.343 122 2HB ALA 17 2HB ALA 17 -2.889 8.401 8.211 123 3HB ALA 17 3HB ALA 17 -1.761 7.139 8.707 124 H ILE 18 H ILE 18 -3.940 8.119 5.493 125 HA ILE 18 HA ILE 18 -1.689 7.441 3.744 126 HB ILE 18 HB ILE 18 -4.462 8.317 3.302 127 1HG1 ILE 18 2HG1 ILE 18 -2.544 6.963 1.410 128 2HG1 ILE 18 1HG1 ILE 18 -3.375 6.099 2.700 129 1HG2 ILE 18 1HG2 ILE 18 -3.569 10.337 2.500 130 2HG2 ILE 18 2HG2 ILE 18 -3.850 9.344 1.069 131 3HG2 ILE 18 3HG2 ILE 18 -2.218 9.523 1.713 132 1HD1 ILE 18 1HD1 ILE 18 -4.742 5.706 0.903 133 2HD1 ILE 18 2HD1 ILE 18 -4.481 7.310 0.216 134 3HD1 ILE 18 3HD1 ILE 18 -5.512 7.115 1.633 135 H ASN 19 H ASN 19 0.028 8.715 3.873 136 HA ASN 19 HA ASN 19 -0.306 11.498 4.729 137 1HB ASN 19 2HB ASN 19 1.312 10.095 5.971 138 2HB ASN 19 1HB ASN 19 2.222 9.853 4.483 139 1HD2 ASN 19 1HD2 ASN 19 1.009 12.377 6.638 140 2HD2 ASN 19 2HD2 ASN 19 2.324 13.468 6.391 141 H GLU 20 H GLU 20 -0.608 12.864 3.106 142 HA GLU 20 HA GLU 20 0.961 12.491 0.646 143 1HB GLU 20 2HB GLU 20 -0.866 14.104 -0.284 144 2HB GLU 20 1HB GLU 20 -1.231 12.397 -0.081 145 1HG GLU 20 2HG GLU 20 -3.081 13.694 0.701 146 2HG GLU 20 1HG GLU 20 -2.303 12.918 2.079 147 H ASP 21 H ASP 21 0.763 14.329 3.409 148 HA ASP 21 HA ASP 21 1.198 16.939 2.508 149 1HB ASP 21 2HB ASP 21 0.658 16.288 4.857 150 2HB ASP 21 1HB ASP 21 2.304 15.683 5.023 151 H VAL 22 H VAL 22 3.249 14.195 2.438 152 HA VAL 22 HA VAL 22 5.623 15.838 2.129 153 HB VAL 22 HB VAL 22 5.451 13.634 3.533 154 1HG1 VAL 22 1HG1 VAL 22 6.531 12.289 1.140 155 2HG1 VAL 22 2HG1 VAL 22 4.781 12.479 1.238 156 3HG1 VAL 22 3HG1 VAL 22 5.648 11.628 2.515 157 1HG2 VAL 22 1HG2 VAL 22 7.949 13.427 2.117 158 2HG2 VAL 22 2HG2 VAL 22 7.632 13.956 3.769 159 3HG2 VAL 22 3HG2 VAL 22 7.533 15.110 2.440 160 H SER 23 H SER 23 7.071 14.094 0.459 161 HA SER 23 HA SER 23 5.657 13.597 -1.962 162 1HB SER 23 2HB SER 23 6.412 15.336 -3.340 163 2HB SER 23 1HB SER 23 5.961 16.162 -1.849 164 HG SER 23 HG SER 23 7.930 16.936 -2.147 165 HA PRO 24 HA PRO 24 5.683 12.177 -3.306 166 1HB PRO 24 2HB PRO 24 5.868 9.487 -3.403 167 2HB PRO 24 1HB PRO 24 6.626 10.530 -4.613 168 1HG PRO 24 2HG PRO 24 7.853 9.188 -2.233 169 2HG PRO 24 1HG PRO 24 8.478 9.324 -3.887 170 1HD PRO 24 2HD PRO 24 9.308 10.929 -1.857 171 2HD PRO 24 1HD PRO 24 9.263 11.459 -3.550 172 H ALA 25 H ALA 25 3.759 11.408 -2.429 173 HA ALA 25 HA ALA 25 3.438 11.453 0.331 174 1HB ALA 25 1HB ALA 25 1.573 11.829 -1.144 175 2HB ALA 25 2HB ALA 25 1.201 10.458 -0.099 176 3HB ALA 25 3HB ALA 25 1.685 10.185 -1.774 177 H GLU 26 H GLU 26 2.392 9.542 1.589 178 HA GLU 26 HA GLU 26 3.404 6.928 0.887 179 1HB GLU 26 2HB GLU 26 4.448 8.367 3.330 180 2HB GLU 26 1HB GLU 26 4.701 6.663 2.982 181 1HG GLU 26 2HG GLU 26 5.876 7.307 0.903 182 2HG GLU 26 1HG GLU 26 5.703 8.998 1.369 183 H LEU 27 H LEU 27 2.508 5.244 2.097 184 HA LEU 27 HA LEU 27 0.113 6.001 3.612 185 1HB LEU 27 2HB LEU 27 -0.387 4.560 1.783 186 2HB LEU 27 1HB LEU 27 0.926 3.473 2.189 187 HG LEU 27 HG LEU 27 -0.445 3.131 4.409 188 1HD1 LEU 27 1HD1 LEU 27 -2.210 4.575 4.302 189 2HD1 LEU 27 2HD1 LEU 27 -2.935 3.129 3.594 190 3HD1 LEU 27 3HD1 LEU 27 -2.366 4.432 2.551 191 1HD2 LEU 27 1HD2 LEU 27 -1.908 1.469 2.907 192 2HD2 LEU 27 2HD2 LEU 27 -0.207 1.191 3.280 193 3HD2 LEU 27 3HD2 LEU 27 -0.665 1.905 1.733 194 H THR 28 H THR 28 0.260 5.951 5.768 195 HA THR 28 HA THR 28 2.353 4.431 7.038 196 HB THR 28 HB THR 28 0.553 5.967 8.717 197 HG1 THR 28 HG1 THR 28 1.145 7.984 7.852 198 1HG2 THR 28 1HG2 THR 28 3.456 6.318 8.095 199 2HG2 THR 28 2HG2 THR 28 2.807 5.313 9.390 200 3HG2 THR 28 3HG2 THR 28 2.578 7.061 9.429 201 H TRP 29 H TRP 29 1.993 2.881 8.602 202 HA TRP 29 HA TRP 29 -0.756 1.998 9.065 203 1HB TRP 29 2HB TRP 29 0.189 0.539 7.336 204 2HB TRP 29 1HB TRP 29 1.577 0.200 8.369 205 HD1 TRP 29 HD1 TRP 29 -2.230 0.057 9.038 206 HE1 TRP 29 HE1 TRP 29 -2.776 -2.236 10.096 207 HE3 TRP 29 HE3 TRP 29 2.461 -1.966 9.040 208 HZ2 TRP 29 HZ2 TRP 29 -1.390 -4.561 10.829 209 HZ3 TRP 29 HZ3 TRP 29 2.763 -4.238 9.945 210 HH2 TRP 29 HH2 TRP 29 0.864 -5.515 10.818 211 H ARG 30 H ARG 30 -1.057 2.238 11.187 212 HA ARG 30 HA ARG 30 1.186 1.621 12.991 213 1HB ARG 30 2HB ARG 30 -1.287 3.315 13.367 214 2HB ARG 30 1HB ARG 30 -0.248 2.843 14.706 215 1HG ARG 30 2HG ARG 30 1.636 3.982 13.654 216 2HG ARG 30 1HG ARG 30 0.598 4.452 12.305 217 1HD ARG 30 2HD ARG 30 0.721 6.324 13.754 218 2HD ARG 30 1HD ARG 30 -0.874 5.610 13.983 219 HE ARG 30 HE ARG 30 0.602 4.440 15.920 220 1HH1 ARG 30 1HH1 ARG 30 0.104 7.767 14.993 221 2HH1 ARG 30 2HH1 ARG 30 0.324 8.377 16.598 222 1HH2 ARG 30 1HH2 ARG 30 0.892 5.241 18.032 223 2HH2 ARG 30 2HH2 ARG 30 0.773 6.945 18.323 224 H SER 31 H SER 31 1.071 -0.156 14.259 225 HA SER 31 HA SER 31 -0.960 -2.050 13.916 226 1HB SER 31 2HB SER 31 1.080 -2.954 14.597 227 2HB SER 31 1HB SER 31 1.300 -1.754 15.871 228 HG SER 31 HG SER 31 0.711 -3.742 16.765 229 H THR 32 H THR 32 -2.337 -2.958 15.628 230 HA THR 32 HA THR 32 -4.095 -1.064 16.673 231 HB THR 32 HB THR 32 -3.658 -3.982 16.839 232 HG1 THR 32 HG1 THR 32 -5.850 -2.286 16.277 233 1HG2 THR 32 1HG2 THR 32 -4.044 -3.649 19.142 234 2HG2 THR 32 2HG2 THR 32 -5.528 -4.269 18.422 235 3HG2 THR 32 3HG2 THR 32 -5.389 -2.556 18.822 236 H ASP 33 H ASP 33 -1.322 -2.682 17.964 237 HA ASP 33 HA ASP 33 -1.735 -1.946 20.681 238 1HB ASP 33 2HB ASP 33 0.740 -2.899 19.239 239 2HB ASP 33 1HB ASP 33 0.636 -2.673 20.983 240 H GLY 34 H GLY 34 -0.101 -0.527 17.966 241 1HA GLY 34 2HA GLY 34 0.481 1.705 17.672 242 2HA GLY 34 1HA GLY 34 0.097 1.999 19.363 243 H ASP 35 H ASP 35 2.185 -0.614 18.478 244 HA ASP 35 HA ASP 35 4.449 0.868 19.618 245 1HB ASP 35 2HB ASP 35 3.878 -2.097 19.567 246 2HB ASP 35 1HB ASP 35 5.396 -1.400 20.125 247 H LYS 36 H LYS 36 3.275 -0.704 16.812 248 HA LYS 36 HA LYS 36 5.914 -0.389 15.548 249 1HB LYS 36 2HB LYS 36 4.206 -2.746 15.698 250 2HB LYS 36 1HB LYS 36 4.596 -2.313 14.039 251 1HG LYS 36 2HG LYS 36 6.273 -3.802 14.669 252 2HG LYS 36 1HG LYS 36 7.022 -2.211 14.814 253 1HD LYS 36 2HD LYS 36 6.653 -2.224 17.211 254 2HD LYS 36 1HD LYS 36 5.809 -3.770 17.095 255 1HE LYS 36 2HE LYS 36 7.826 -4.630 17.600 256 2HE LYS 36 1HE LYS 36 8.144 -4.385 15.883 257 1HZ LYS 36 1HZ LYS 36 8.842 -2.492 18.064 258 2HZ LYS 36 2HZ LYS 36 9.134 -2.240 16.416 259 3HZ LYS 36 3HZ LYS 36 9.927 -3.491 17.233 260 H VAL 37 H VAL 37 5.927 0.942 13.867 261 HA VAL 37 HA VAL 37 3.377 1.488 12.494 262 HB VAL 37 HB VAL 37 5.573 3.509 12.950 263 1HG1 VAL 37 1HG1 VAL 37 2.797 3.697 11.796 264 2HG1 VAL 37 2HG1 VAL 37 4.330 4.037 10.991 265 3HG1 VAL 37 3HG1 VAL 37 3.753 5.101 12.273 266 1HG2 VAL 37 1HG2 VAL 37 3.530 4.467 14.391 267 2HG2 VAL 37 2HG2 VAL 37 4.789 3.440 15.075 268 3HG2 VAL 37 3HG2 VAL 37 3.241 2.740 14.598 269 H HIS 38 H HIS 38 3.402 1.010 10.415 270 HA HIS 38 HA HIS 38 6.000 0.827 9.041 271 1HB HIS 38 2HB HIS 38 4.586 -1.257 9.203 272 2HB HIS 38 1HB HIS 38 3.424 -0.453 8.158 273 HD1 HIS 38 HD1 HIS 38 6.045 -2.791 7.941 274 HD2 HIS 38 HD2 HIS 38 4.916 0.490 5.655 275 HE1 HIS 38 HE1 HIS 38 7.115 -3.138 5.690 276 HE2 HIS 38 HE2 HIS 38 6.351 -1.181 4.300 277 H THR 39 H THR 39 6.319 1.806 7.117 278 HA THR 39 HA THR 39 4.186 3.608 6.166 279 HB THR 39 HB THR 39 7.157 4.180 6.128 280 HG1 THR 39 HG1 THR 39 6.900 4.928 8.052 281 1HG2 THR 39 1HG2 THR 39 5.857 5.321 4.363 282 2HG2 THR 39 2HG2 THR 39 6.577 6.424 5.536 283 3HG2 THR 39 3HG2 THR 39 4.856 6.047 5.620 284 H VAL 40 H VAL 40 3.743 3.580 4.035 285 HA VAL 40 HA VAL 40 5.478 1.926 2.315 286 HB VAL 40 HB VAL 40 2.511 2.340 1.954 287 1HG1 VAL 40 1HG1 VAL 40 3.157 1.672 -0.110 288 2HG1 VAL 40 2HG1 VAL 40 3.076 0.079 0.642 289 3HG1 VAL 40 3HG1 VAL 40 4.629 0.899 0.478 290 1HG2 VAL 40 1HG2 VAL 40 3.788 -0.181 2.967 291 2HG2 VAL 40 2HG2 VAL 40 2.085 0.281 2.983 292 3HG2 VAL 40 3HG2 VAL 40 3.226 1.083 4.063 293 H VAL 41 H VAL 41 5.884 2.606 0.218 294 HA VAL 41 HA VAL 41 5.524 5.466 -0.226 295 HB VAL 41 HB VAL 41 7.108 3.514 -1.899 296 1HG1 VAL 41 1HG1 VAL 41 6.654 6.429 -1.950 297 2HG1 VAL 41 2HG1 VAL 41 7.031 5.313 -3.263 298 3HG1 VAL 41 3HG1 VAL 41 8.316 5.896 -2.204 299 1HG2 VAL 41 1HG2 VAL 41 9.041 4.034 -0.660 300 2HG2 VAL 41 2HG2 VAL 41 7.798 3.688 0.543 301 3HG2 VAL 41 3HG2 VAL 41 8.241 5.357 0.187 302 H LEU 42 H LEU 42 3.962 6.223 -1.483 303 HA LEU 42 HA LEU 42 2.380 4.401 -3.082 304 1HB LEU 42 2HB LEU 42 1.981 7.372 -2.893 305 2HB LEU 42 1HB LEU 42 0.792 6.133 -3.247 306 HG LEU 42 HG LEU 42 2.063 6.733 -0.579 307 1HD1 LEU 42 1HD1 LEU 42 -0.854 6.567 -0.921 308 2HD1 LEU 42 2HD1 LEU 42 -0.066 7.918 -1.737 309 3HD1 LEU 42 3HD1 LEU 42 0.121 7.709 0.004 310 1HD2 LEU 42 1HD2 LEU 42 0.070 4.550 -1.144 311 2HD2 LEU 42 2HD2 LEU 42 0.944 4.868 0.354 312 3HD2 LEU 42 3HD2 LEU 42 1.808 4.266 -1.060 313 H SER 43 H SER 43 5.072 6.372 -3.615 314 HA SER 43 HA SER 43 4.455 7.096 -6.332 315 1HB SER 43 2HB SER 43 5.903 8.621 -5.283 316 2HB SER 43 1HB SER 43 6.898 7.340 -4.591 317 HG SER 43 HG SER 43 7.910 7.080 -6.471 318 H THR 44 H THR 44 5.928 4.437 -4.681 319 HA THR 44 HA THR 44 7.081 3.385 -7.140 320 HB THR 44 HB THR 44 8.388 3.257 -5.049 321 HG1 THR 44 HG1 THR 44 7.573 0.796 -6.185 322 1HG2 THR 44 1HG2 THR 44 6.325 2.812 -3.596 323 2HG2 THR 44 2HG2 THR 44 7.821 1.962 -3.213 324 3HG2 THR 44 3HG2 THR 44 6.529 1.128 -4.076 325 H ILE 45 H ILE 45 4.091 3.568 -6.351 326 HA ILE 45 HA ILE 45 3.379 0.735 -6.566 327 HB ILE 45 HB ILE 45 1.527 3.080 -6.147 328 1HG1 ILE 45 2HG1 ILE 45 3.077 2.973 -4.282 329 2HG1 ILE 45 1HG1 ILE 45 1.503 2.375 -3.764 330 1HG2 ILE 45 1HG2 ILE 45 -0.081 1.418 -5.449 331 2HG2 ILE 45 2HG2 ILE 45 1.109 0.133 -5.664 332 3HG2 ILE 45 3HG2 ILE 45 0.512 1.025 -7.063 333 1HD1 ILE 45 1HD1 ILE 45 2.907 0.829 -2.833 334 2HD1 ILE 45 2HD1 ILE 45 4.054 0.901 -4.170 335 3HD1 ILE 45 3HD1 ILE 45 2.523 0.050 -4.368 336 H ASP 46 H ASP 46 3.721 0.243 -8.694 337 HA ASP 46 HA ASP 46 3.085 1.852 -10.891 338 1HB ASP 46 2HB ASP 46 4.541 -0.182 -10.951 339 2HB ASP 46 1HB ASP 46 3.091 -1.173 -10.813 340 H LYS 47 H LYS 47 1.134 -0.301 -8.950 341 HA LYS 47 HA LYS 47 -1.283 0.820 -10.006 342 1HB LYS 47 2HB LYS 47 -0.477 -1.979 -10.752 343 2HB LYS 47 1HB LYS 47 -2.172 -1.534 -10.621 344 1HG LYS 47 2HG LYS 47 -1.590 0.368 -12.242 345 2HG LYS 47 1HG LYS 47 -0.115 -0.549 -12.560 346 1HD LYS 47 2HD LYS 47 -2.898 -1.684 -12.800 347 2HD LYS 47 1HD LYS 47 -1.982 -1.018 -14.152 348 1HE LYS 47 2HE LYS 47 -0.524 -2.772 -14.207 349 2HE LYS 47 1HE LYS 47 -0.667 -3.085 -12.478 350 1HZ LYS 47 1HZ LYS 47 -2.670 -4.224 -12.783 351 2HZ LYS 47 2HZ LYS 47 -1.685 -4.774 -14.042 352 3HZ LYS 47 3HZ LYS 47 -2.890 -3.630 -14.352 353 H LEU 48 H LEU 48 -3.237 -0.361 -9.032 354 HA LEU 48 HA LEU 48 -2.552 -1.420 -6.372 355 1HB LEU 48 2HB LEU 48 -4.444 -0.192 -5.428 356 2HB LEU 48 1HB LEU 48 -3.253 0.889 -6.124 357 HG LEU 48 HG LEU 48 -4.930 0.610 -8.232 358 1HD1 LEU 48 1HD1 LEU 48 -7.079 0.198 -7.696 359 2HD1 LEU 48 2HD1 LEU 48 -6.940 0.952 -6.107 360 3HD1 LEU 48 3HD1 LEU 48 -6.356 -0.694 -6.357 361 1HD2 LEU 48 1HD2 LEU 48 -5.780 2.627 -6.257 362 2HD2 LEU 48 2HD2 LEU 48 -5.283 2.818 -7.939 363 3HD2 LEU 48 3HD2 LEU 48 -4.067 2.629 -6.677 364 H GLN 49 H GLN 49 -3.255 -3.439 -6.221 365 HA GLN 49 HA GLN 49 -5.625 -4.242 -7.754 366 1HB GLN 49 2HB GLN 49 -3.439 -5.905 -6.492 367 2HB GLN 49 1HB GLN 49 -4.828 -6.563 -7.344 368 1HG GLN 49 2HG GLN 49 -4.112 -5.475 -9.394 369 2HG GLN 49 1HG GLN 49 -2.737 -4.764 -8.547 370 1HE2 GLN 49 1HE2 GLN 49 -2.375 -6.291 -10.790 371 2HE2 GLN 49 2HE2 GLN 49 -1.608 -7.780 -10.363 372 H ALA 50 H ALA 50 -7.332 -5.342 -6.791 373 HA ALA 50 HA ALA 50 -7.319 -5.607 -3.878 374 1HB ALA 50 1HB ALA 50 -8.948 -4.114 -3.455 375 2HB ALA 50 2HB ALA 50 -9.809 -4.474 -4.953 376 3HB ALA 50 3HB ALA 50 -8.419 -3.391 -4.974 377 H THR 51 H THR 51 -9.061 -6.950 -3.060 378 HA THR 51 HA THR 51 -9.506 -9.227 -4.706 379 HB THR 51 HB THR 51 -10.796 -10.096 -2.801 380 HG1 THR 51 HG1 THR 51 -10.430 -7.492 -1.741 381 1HG2 THR 51 1HG2 THR 51 -8.678 -10.607 -2.244 382 2HG2 THR 51 2HG2 THR 51 -8.982 -9.434 -0.962 383 3HG2 THR 51 3HG2 THR 51 -8.111 -8.946 -2.415 384 HA PRO 52 HA PRO 52 -13.305 -8.153 -6.671 385 1HB PRO 52 2HB PRO 52 -14.435 -10.605 -6.972 386 2HB PRO 52 1HB PRO 52 -13.062 -10.052 -7.939 387 1HG PRO 52 2HG PRO 52 -13.087 -11.823 -5.525 388 2HG PRO 52 1HG PRO 52 -12.164 -11.996 -7.030 389 1HD PRO 52 2HD PRO 52 -11.069 -11.008 -4.763 390 2HD PRO 52 1HD PRO 52 -10.569 -10.464 -6.376 391 H ALA 53 H ALA 53 -15.623 -8.157 -6.412 392 HA ALA 53 HA ALA 53 -16.434 -7.884 -3.707 393 1HB ALA 53 1HB ALA 53 -18.481 -8.121 -5.841 394 2HB ALA 53 2HB ALA 53 -17.322 -6.798 -5.956 395 3HB ALA 53 3HB ALA 53 -18.341 -6.953 -4.526 396 H SER 54 H SER 54 -16.195 -10.608 -5.708 397 HA SER 54 HA SER 54 -18.356 -12.065 -4.420 398 1HB SER 54 2HB SER 54 -16.348 -12.857 -6.537 399 2HB SER 54 1HB SER 54 -17.579 -13.945 -5.895 400 HG SER 54 HG SER 54 -18.111 -12.753 -7.885 401 H SER 55 H SER 55 -15.325 -11.241 -3.504 402 HA SER 55 HA SER 55 -14.789 -13.806 -2.174 403 1HB SER 55 2HB SER 55 -12.990 -11.467 -2.821 404 2HB SER 55 1HB SER 55 -12.505 -12.785 -1.757 405 HG SER 55 HG SER 55 -11.817 -13.397 -3.732 406 H GLU 56 H GLU 56 -15.556 -13.917 -0.186 407 HA GLU 56 HA GLU 56 -16.444 -11.764 1.348 408 1HB GLU 56 2HB GLU 56 -15.544 -14.503 2.251 409 2HB GLU 56 1HB GLU 56 -16.442 -13.366 3.245 410 1HG GLU 56 2HG GLU 56 -18.293 -13.452 1.626 411 2HG GLU 56 1HG GLU 56 -17.396 -14.651 0.696 412 H LYS 57 H LYS 57 -13.276 -12.906 0.778 413 HA LYS 57 HA LYS 57 -12.169 -11.717 3.189 414 1HB LYS 57 2HB LYS 57 -10.860 -13.105 0.846 415 2HB LYS 57 1HB LYS 57 -9.988 -12.482 2.241 416 1HG LYS 57 2HG LYS 57 -11.253 -14.000 3.694 417 2HG LYS 57 1HG LYS 57 -12.084 -14.643 2.277 418 1HD LYS 57 2HD LYS 57 -10.311 -16.146 2.806 419 2HD LYS 57 1HD LYS 57 -9.836 -15.262 1.354 420 1HE LYS 57 2HE LYS 57 -8.112 -14.247 2.384 421 2HE LYS 57 1HE LYS 57 -9.016 -14.012 3.879 422 1HZ LYS 57 1HZ LYS 57 -8.679 -16.637 3.944 423 2HZ LYS 57 2HZ LYS 57 -7.566 -15.554 4.615 424 3HZ LYS 57 3HZ LYS 57 -7.288 -16.210 3.082 425 H MET 58 H MET 58 -11.793 -9.612 3.281 426 HA MET 58 HA MET 58 -11.474 -8.075 0.828 427 1HB MET 58 2HB MET 58 -11.794 -7.265 3.719 428 2HB MET 58 1HB MET 58 -11.534 -6.114 2.417 429 1HG MET 58 2HG MET 58 -13.807 -6.057 2.594 430 2HG MET 58 1HG MET 58 -13.604 -7.294 1.354 431 1HE MET 58 1HE MET 58 -15.545 -7.284 5.243 432 2HE MET 58 2HE MET 58 -16.543 -7.378 3.792 433 3HE MET 58 3HE MET 58 -15.319 -6.116 3.941 434 H MET 59 H MET 59 -9.517 -7.781 0.008 435 HA MET 59 HA MET 59 -7.313 -7.033 1.743 436 1HB MET 59 2HB MET 59 -7.040 -9.378 -0.144 437 2HB MET 59 1HB MET 59 -5.795 -8.730 0.915 438 1HG MET 59 2HG MET 59 -7.219 -9.351 2.858 439 2HG MET 59 1HG MET 59 -8.323 -10.139 1.733 440 1HE MET 59 1HE MET 59 -4.057 -11.511 2.786 441 2HE MET 59 2HE MET 59 -4.951 -10.213 3.577 442 3HE MET 59 3HE MET 59 -4.338 -9.990 1.938 443 H LEU 60 H LEU 60 -6.017 -5.562 0.799 444 HA LEU 60 HA LEU 60 -6.343 -5.134 -2.099 445 1HB LEU 60 2HB LEU 60 -6.298 -3.283 0.197 446 2HB LEU 60 1HB LEU 60 -5.373 -2.762 -1.198 447 HG LEU 60 HG LEU 60 -8.158 -3.695 -1.669 448 1HD1 LEU 60 1HD1 LEU 60 -7.627 -0.899 -0.713 449 2HD1 LEU 60 2HD1 LEU 60 -8.144 -2.183 0.380 450 3HD1 LEU 60 3HD1 LEU 60 -9.176 -1.703 -0.968 451 1HD2 LEU 60 1HD2 LEU 60 -6.682 -1.321 -2.776 452 2HD2 LEU 60 2HD2 LEU 60 -8.087 -2.148 -3.450 453 3HD2 LEU 60 3HD2 LEU 60 -6.514 -2.945 -3.441 454 H ARG 61 H ARG 61 -4.605 -5.585 -3.264 455 HA ARG 61 HA ARG 61 -1.977 -5.584 -1.949 456 1HB ARG 61 2HB ARG 61 -2.744 -7.716 -2.965 457 2HB ARG 61 1HB ARG 61 -2.801 -6.920 -4.531 458 1HG ARG 61 2HG ARG 61 -0.378 -6.473 -4.350 459 2HG ARG 61 1HG ARG 61 -0.356 -7.386 -2.840 460 1HD ARG 61 2HD ARG 61 -1.160 -8.451 -5.545 461 2HD ARG 61 1HD ARG 61 0.369 -8.761 -4.726 462 HE ARG 61 HE ARG 61 -1.715 -9.536 -3.028 463 1HH1 ARG 61 1HH1 ARG 61 -0.278 -10.487 -6.063 464 2HH1 ARG 61 2HH1 ARG 61 -0.711 -12.154 -5.888 465 1HH2 ARG 61 1HH2 ARG 61 -2.285 -11.729 -2.797 466 2HH2 ARG 61 2HH2 ARG 61 -1.850 -12.860 -4.034 467 H LEU 62 H LEU 62 -0.314 -4.377 -2.689 468 HA LEU 62 HA LEU 62 -0.874 -2.611 -4.983 469 1HB LEU 62 2HB LEU 62 -0.045 -2.024 -2.280 470 2HB LEU 62 1HB LEU 62 1.142 -1.432 -3.427 471 HG LEU 62 HG LEU 62 -0.765 -0.279 -4.630 472 1HD1 LEU 62 1HD1 LEU 62 -2.838 0.019 -3.555 473 2HD1 LEU 62 2HD1 LEU 62 -2.253 -0.700 -2.054 474 3HD1 LEU 62 3HD1 LEU 62 -2.508 -1.711 -3.477 475 1HD2 LEU 62 1HD2 LEU 62 -0.707 0.875 -1.918 476 2HD2 LEU 62 2HD2 LEU 62 -0.320 1.607 -3.475 477 3HD2 LEU 62 3HD2 LEU 62 0.863 0.578 -2.665 478 H ILE 63 H ILE 63 0.468 -2.729 -6.651 479 HA ILE 63 HA ILE 63 2.723 -4.529 -6.543 480 HB ILE 63 HB ILE 63 1.888 -2.792 -8.863 481 1HG1 ILE 63 2HG1 ILE 63 -0.038 -4.100 -8.187 482 2HG1 ILE 63 1HG1 ILE 63 0.636 -4.790 -9.660 483 1HG2 ILE 63 1HG2 ILE 63 3.321 -3.981 -10.150 484 2HG2 ILE 63 2HG2 ILE 63 3.100 -5.465 -9.221 485 3HG2 ILE 63 3HG2 ILE 63 4.153 -4.188 -8.609 486 1HD1 ILE 63 1HD1 ILE 63 0.237 -5.994 -7.077 487 2HD1 ILE 63 2HD1 ILE 63 1.914 -6.144 -7.601 488 3HD1 ILE 63 3HD1 ILE 63 0.611 -6.746 -8.627 489 H GLY 64 H GLY 64 4.700 -3.933 -5.963 490 1HA GLY 64 2HA GLY 64 5.397 -1.107 -5.890 491 2HA GLY 64 1HA GLY 64 6.324 -2.426 -5.193 492 H LYS 65 H LYS 65 5.153 -1.798 -8.498 493 HA LYS 65 HA LYS 65 6.218 -1.906 -10.509 494 1HB LYS 65 2HB LYS 65 7.859 -0.198 -8.749 495 2HB LYS 65 1HB LYS 65 8.656 -0.759 -10.214 496 1HG LYS 65 2HG LYS 65 6.817 0.167 -11.550 497 2HG LYS 65 1HG LYS 65 6.061 0.763 -10.071 498 1HD LYS 65 2HD LYS 65 8.093 2.107 -9.625 499 2HD LYS 65 1HD LYS 65 8.752 1.570 -11.172 500 1HE LYS 65 2HE LYS 65 6.530 2.494 -12.144 501 2HE LYS 65 1HE LYS 65 6.436 3.385 -10.626 502 1HZ LYS 65 1HZ LYS 65 7.508 4.651 -12.419 503 2HZ LYS 65 2HZ LYS 65 8.735 3.490 -12.501 504 3HZ LYS 65 3HZ LYS 65 8.538 4.414 -11.098 505 H VAL 66 H VAL 66 8.625 -2.351 -11.475 506 HA VAL 66 HA VAL 66 9.378 -4.959 -10.337 507 HB VAL 66 HB VAL 66 9.876 -3.972 -13.148 508 1HG1 VAL 66 1HG1 VAL 66 11.390 -5.746 -12.179 509 2HG1 VAL 66 2HG1 VAL 66 10.539 -6.183 -13.661 510 3HG1 VAL 66 3HG1 VAL 66 9.972 -6.792 -12.106 511 1HG2 VAL 66 1HG2 VAL 66 7.538 -4.154 -12.992 512 2HG2 VAL 66 2HG2 VAL 66 7.634 -5.603 -11.989 513 3HG2 VAL 66 3HG2 VAL 66 8.066 -5.682 -13.698 514 H ASP 67 H ASP 67 10.987 -2.513 -12.378 515 HA ASP 67 HA ASP 67 13.540 -3.108 -11.194 516 1HB ASP 67 2HB ASP 67 12.686 -1.008 -13.195 517 2HB ASP 67 1HB ASP 67 14.353 -1.271 -12.691 518 H GLU 68 H GLU 68 14.467 -2.138 -9.514 519 HA GLU 68 HA GLU 68 13.729 0.581 -8.788 520 1HB GLU 68 2HB GLU 68 13.387 -1.773 -6.926 521 2HB GLU 68 1HB GLU 68 13.392 -0.098 -6.395 522 1HG GLU 68 2HG GLU 68 11.446 0.337 -7.837 523 2HG GLU 68 1HG GLU 68 11.425 -1.368 -8.284 524 H SER 69 H SER 69 16.104 -0.458 -9.874 525 HA SER 69 HA SER 69 18.041 -0.932 -7.838 526 1HB SER 69 2HB SER 69 18.465 -0.063 -10.704 527 2HB SER 69 1HB SER 69 19.693 -0.737 -9.632 528 HG SER 69 HG SER 69 18.759 -2.297 -11.060 529 H LYS 70 H LYS 70 16.712 1.887 -9.320 530 HA LYS 70 HA LYS 70 18.819 3.622 -8.321 531 1HB LYS 70 2HB LYS 70 16.282 4.206 -9.853 532 2HB LYS 70 1HB LYS 70 17.436 5.436 -9.354 533 1HG LYS 70 2HG LYS 70 19.166 4.367 -10.706 534 2HG LYS 70 1HG LYS 70 18.011 3.128 -11.203 535 1HD LYS 70 2HD LYS 70 18.106 4.723 -12.961 536 2HD LYS 70 1HD LYS 70 16.578 4.988 -12.117 537 1HE LYS 70 2HE LYS 70 17.518 7.129 -12.511 538 2HE LYS 70 1HE LYS 70 17.744 6.785 -10.797 539 1HZ LYS 70 1HZ LYS 70 20.020 5.845 -11.745 540 2HZ LYS 70 2HZ LYS 70 19.827 7.463 -11.291 541 3HZ LYS 70 3HZ LYS 70 19.723 7.025 -12.922 542 H LYS 71 H LYS 71 15.583 2.630 -7.502 543 HA LYS 71 HA LYS 71 15.206 4.732 -5.555 544 1HB LYS 71 2HB LYS 71 13.586 2.228 -6.049 545 2HB LYS 71 1HB LYS 71 13.104 3.581 -5.035 546 1HG LYS 71 2HG LYS 71 13.590 3.717 -8.004 547 2HG LYS 71 1HG LYS 71 12.009 3.621 -7.224 548 1HD LYS 71 2HD LYS 71 12.508 5.738 -6.044 549 2HD LYS 71 1HD LYS 71 14.029 5.843 -6.933 550 1HE LYS 71 2HE LYS 71 12.561 7.200 -8.144 551 2HE LYS 71 1HE LYS 71 12.595 5.685 -9.044 552 1HZ LYS 71 1HZ LYS 71 10.373 5.940 -8.930 553 2HZ LYS 71 2HZ LYS 71 10.425 6.901 -7.539 554 3HZ LYS 71 3HZ LYS 71 10.562 5.219 -7.409 555 H ARG 72 H ARG 72 15.325 4.564 -3.354 556 HA ARG 72 HA ARG 72 17.201 2.792 -2.258 557 1HB ARG 72 2HB ARG 72 15.097 4.481 -0.894 558 2HB ARG 72 1HB ARG 72 16.407 3.660 -0.057 559 1HG ARG 72 2HG ARG 72 18.032 4.979 -1.345 560 2HG ARG 72 1HG ARG 72 16.696 5.831 -2.124 561 1HD ARG 72 2HD ARG 72 17.558 7.171 -0.312 562 2HD ARG 72 1HD ARG 72 15.939 6.605 0.095 563 HE ARG 72 HE ARG 72 18.432 5.851 1.372 564 1HH1 ARG 72 1HH1 ARG 72 15.025 5.181 0.978 565 2HH1 ARG 72 2HH1 ARG 72 14.907 4.285 2.453 566 1HH2 ARG 72 1HH2 ARG 72 18.272 4.671 3.310 567 2HH2 ARG 72 2HH2 ARG 72 16.747 3.996 3.776 568 H LYS 73 H LYS 73 17.051 0.825 -1.375 569 HA LYS 73 HA LYS 73 14.581 -0.625 -1.613 570 1HB LYS 73 2HB LYS 73 17.277 -1.438 -0.515 571 2HB LYS 73 1HB LYS 73 15.918 -2.534 -0.731 572 1HG LYS 73 2HG LYS 73 15.950 -2.034 -3.151 573 2HG LYS 73 1HG LYS 73 17.387 -1.043 -2.894 574 1HD LYS 73 2HD LYS 73 18.534 -3.037 -1.964 575 2HD LYS 73 1HD LYS 73 17.114 -4.001 -2.375 576 1HE LYS 73 2HE LYS 73 18.778 -4.256 -4.100 577 2HE LYS 73 1HE LYS 73 17.403 -3.356 -4.741 578 1HZ LYS 73 1HZ LYS 73 19.881 -2.076 -3.728 579 2HZ LYS 73 2HZ LYS 73 18.612 -1.331 -4.561 580 3HZ LYS 73 3HZ LYS 73 19.610 -2.439 -5.358 581 H ASP 74 H ASP 74 13.355 -1.531 0.033 582 HA ASP 74 HA ASP 74 13.060 -0.009 2.373 583 1HB ASP 74 2HB ASP 74 11.268 -1.380 1.271 584 2HB ASP 74 1HB ASP 74 12.043 -2.817 1.931 585 H ASN 75 H ASN 75 15.029 -2.738 1.646 586 HA ASN 75 HA ASN 75 16.712 -3.739 2.809 587 1HB ASN 75 2HB ASN 75 16.034 -1.874 5.079 588 2HB ASN 75 1HB ASN 75 17.526 -2.780 4.866 589 1HD2 ASN 75 1HD2 ASN 75 18.058 -2.360 2.221 590 2HD2 ASN 75 2HD2 ASN 75 18.379 -0.685 1.949 591 H GLU 76 H GLU 76 13.536 -3.930 3.507 592 HA GLU 76 HA GLU 76 13.837 -5.718 5.801 593 1HB GLU 76 2HB GLU 76 11.357 -4.612 4.471 594 2HB GLU 76 1HB GLU 76 11.358 -5.666 5.878 595 1HG GLU 76 2HG GLU 76 12.619 -3.957 7.124 596 2HG GLU 76 1HG GLU 76 12.525 -2.897 5.720 597 H GLY 77 H GLY 77 15.021 -7.100 4.092 598 1HA GLY 77 2HA GLY 77 14.774 -9.369 3.420 599 2HA GLY 77 1HA GLY 77 13.071 -9.065 3.122 600 H ASN 78 H ASN 78 14.966 -6.566 1.889 601 HA ASN 78 HA ASN 78 14.579 -7.595 -0.819 602 1HB ASN 78 2HB ASN 78 15.276 -4.825 0.181 603 2HB ASN 78 1HB ASN 78 15.067 -5.252 -1.514 604 1HD2 ASN 78 1HD2 ASN 78 13.604 -3.466 0.443 605 2HD2 ASN 78 2HD2 ASN 78 11.945 -3.908 0.251 606 H GLU 79 H GLU 79 16.207 -8.149 -2.140 607 HA GLU 79 HA GLU 79 18.950 -7.791 -1.131 608 1HB GLU 79 2HB GLU 79 17.844 -9.915 -2.977 609 2HB GLU 79 1HB GLU 79 19.531 -9.771 -2.500 610 1HG GLU 79 2HG GLU 79 17.216 -10.293 -0.647 611 2HG GLU 79 1HG GLU 79 18.372 -11.491 -1.225 612 H VAL 80 H VAL 80 20.615 -7.861 -2.978 613 HA VAL 80 HA VAL 80 20.286 -5.591 -4.574 614 HB VAL 80 HB VAL 80 22.210 -7.860 -5.096 615 1HG1 VAL 80 1HG1 VAL 80 21.915 -5.098 -6.120 616 2HG1 VAL 80 2HG1 VAL 80 22.536 -6.544 -6.916 617 3HG1 VAL 80 3HG1 VAL 80 23.552 -5.658 -5.780 618 1HG2 VAL 80 1HG2 VAL 80 23.685 -6.043 -3.779 619 2HG2 VAL 80 2HG2 VAL 80 22.872 -7.392 -2.985 620 3HG2 VAL 80 3HG2 VAL 80 22.127 -5.793 -2.990 621 H VAL 81 H VAL 81 19.728 -8.994 -5.262 622 HA VAL 81 HA VAL 81 19.502 -8.921 -8.028 623 HB VAL 81 HB VAL 81 17.770 -10.593 -6.208 624 1HG1 VAL 81 1HG1 VAL 81 18.138 -12.224 -8.167 625 2HG1 VAL 81 2HG1 VAL 81 18.613 -10.789 -9.076 626 3HG1 VAL 81 3HG1 VAL 81 16.996 -10.898 -8.382 627 1HG2 VAL 81 1HG2 VAL 81 19.657 -12.290 -6.566 628 2HG2 VAL 81 2HG2 VAL 81 19.928 -10.993 -5.401 629 3HG2 VAL 81 3HG2 VAL 81 20.646 -10.898 -7.009 630 HA PRO 82 HA PRO 82 16.079 -5.962 -8.325 631 1HB PRO 82 2HB PRO 82 16.262 -6.921 -11.141 632 2HB PRO 82 1HB PRO 82 16.185 -5.269 -10.517 633 1HG PRO 82 2HG PRO 82 18.482 -6.273 -11.405 634 2HG PRO 82 1HG PRO 82 18.440 -5.227 -9.973 635 1HD PRO 82 2HD PRO 82 18.759 -8.190 -10.149 636 2HD PRO 82 1HD PRO 82 19.498 -7.039 -9.019 637 H LYS 83 H LYS 83 14.139 -6.603 -7.653 638 HA LYS 83 HA LYS 83 12.637 -8.527 -9.223 639 1HB LYS 83 2HB LYS 83 13.649 -9.069 -6.486 640 2HB LYS 83 1HB LYS 83 11.986 -9.533 -6.819 641 1HG LYS 83 2HG LYS 83 14.174 -10.351 -8.681 642 2HG LYS 83 1HG LYS 83 13.891 -11.243 -7.185 643 1HD LYS 83 2HD LYS 83 11.391 -11.186 -8.044 644 2HD LYS 83 1HD LYS 83 12.182 -10.995 -9.610 645 1HE LYS 83 2HE LYS 83 13.622 -13.014 -8.831 646 2HE LYS 83 1HE LYS 83 12.309 -13.284 -7.685 647 1HZ LYS 83 1HZ LYS 83 11.701 -14.550 -9.502 648 2HZ LYS 83 2HZ LYS 83 12.248 -13.414 -10.629 649 3HZ LYS 83 3HZ LYS 83 10.827 -13.124 -9.760 650 HA PRO 84 HA PRO 84 9.378 -5.744 -8.154 651 1HB PRO 84 2HB PRO 84 7.217 -7.298 -8.631 652 2HB PRO 84 1HB PRO 84 8.230 -6.656 -9.929 653 1HG PRO 84 2HG PRO 84 8.240 -9.382 -8.692 654 2HG PRO 84 1HG PRO 84 8.350 -8.930 -10.403 655 1HD PRO 84 2HD PRO 84 10.519 -9.606 -8.914 656 2HD PRO 84 1HD PRO 84 10.598 -8.455 -10.261 657 H GLN 85 H GLN 85 8.534 -5.117 -6.271 658 HA GLN 85 HA GLN 85 8.010 -7.168 -4.224 659 1HB GLN 85 2HB GLN 85 8.425 -5.444 -2.556 660 2HB GLN 85 1HB GLN 85 9.796 -5.572 -3.650 661 1HG GLN 85 2HG GLN 85 8.973 -3.609 -4.877 662 2HG GLN 85 1HG GLN 85 7.646 -3.467 -3.723 663 1HE2 GLN 85 1HE2 GLN 85 7.999 -2.533 -1.780 664 2HE2 GLN 85 2HE2 GLN 85 9.510 -1.852 -1.291 665 H ARG 86 H ARG 86 5.978 -7.460 -3.575 666 HA ARG 86 HA ARG 86 4.012 -5.344 -4.167 667 1HB ARG 86 2HB ARG 86 3.601 -8.339 -4.174 668 2HB ARG 86 1HB ARG 86 2.337 -7.144 -4.426 669 1HG ARG 86 2HG ARG 86 3.518 -6.353 -6.435 670 2HG ARG 86 1HG ARG 86 4.727 -7.615 -6.195 671 1HD ARG 86 2HD ARG 86 2.896 -9.300 -6.333 672 2HD ARG 86 1HD ARG 86 1.787 -7.993 -6.744 673 HE ARG 86 HE ARG 86 3.919 -7.866 -8.525 674 1HH1 ARG 86 1HH1 ARG 86 1.332 -10.063 -7.715 675 2HH1 ARG 86 2HH1 ARG 86 1.223 -10.721 -9.314 676 1HH2 ARG 86 1HH2 ARG 86 3.776 -8.727 -10.628 677 2HH2 ARG 86 2HH2 ARG 86 2.610 -9.963 -10.968 678 H HIS 87 H HIS 87 2.590 -4.761 -2.595 679 HA HIS 87 HA HIS 87 2.975 -6.014 0.042 680 1HB HIS 87 2HB HIS 87 2.496 -3.194 -0.818 681 2HB HIS 87 1HB HIS 87 1.868 -3.710 0.743 682 HD1 HIS 87 HD1 HIS 87 3.452 -3.502 2.635 683 HD2 HIS 87 HD2 HIS 87 5.418 -3.720 -1.019 684 HE1 HIS 87 HE1 HIS 87 5.889 -3.174 3.164 685 HE2 HIS 87 HE2 HIS 87 7.050 -3.224 0.928 686 H MET 88 H MET 88 1.376 -7.397 0.454 687 HA MET 88 HA MET 88 -1.318 -6.822 -0.532 688 1HB MET 88 2HB MET 88 -0.320 -9.061 -0.947 689 2HB MET 88 1HB MET 88 -0.260 -9.328 0.791 690 1HG MET 88 2HG MET 88 -2.721 -9.083 0.866 691 2HG MET 88 1HG MET 88 -2.726 -8.954 -0.891 692 1HE MET 88 1HE MET 88 -2.394 -12.430 1.847 693 2HE MET 88 2HE MET 88 -1.809 -10.791 2.134 694 3HE MET 88 3HE MET 88 -0.727 -12.004 1.449 695 H PHE 89 H PHE 89 -2.821 -5.999 0.758 696 HA PHE 89 HA PHE 89 -2.384 -6.118 3.667 697 1HB PHE 89 2HB PHE 89 -3.784 -4.071 1.950 698 2HB PHE 89 1HB PHE 89 -3.935 -4.108 3.704 699 HD1 PHE 89 HD1 PHE 89 -1.968 -3.031 0.926 700 HD2 PHE 89 HD2 PHE 89 -1.834 -3.896 5.089 701 HE1 PHE 89 HE1 PHE 89 0.099 -1.711 1.128 702 HE2 PHE 89 HE2 PHE 89 0.234 -2.572 5.301 703 HZ PHE 89 HZ PHE 89 1.201 -1.479 3.318 704 H SER 90 H SER 90 -4.199 -6.392 5.044 705 HA SER 90 HA SER 90 -6.474 -7.752 3.746 706 1HB SER 90 2HB SER 90 -6.129 -8.476 6.536 707 2HB SER 90 1HB SER 90 -6.217 -9.515 5.116 708 HG SER 90 HG SER 90 -3.902 -8.137 6.009 709 H PHE 91 H PHE 91 -8.327 -6.687 3.943 710 HA PHE 91 HA PHE 91 -8.582 -4.673 6.043 711 1HB PHE 91 2HB PHE 91 -9.866 -5.102 3.379 712 2HB PHE 91 1HB PHE 91 -10.722 -4.163 4.599 713 HD1 PHE 91 HD1 PHE 91 -7.659 -4.346 2.568 714 HD2 PHE 91 HD2 PHE 91 -10.068 -1.969 5.143 715 HE1 PHE 91 HE1 PHE 91 -6.332 -2.368 1.962 716 HE2 PHE 91 HE2 PHE 91 -8.747 0.026 4.542 717 HZ PHE 91 HZ PHE 91 -6.876 -0.173 2.949 718 H ASN 92 H ASN 92 -10.036 -4.761 7.630 719 HA ASN 92 HA ASN 92 -11.660 -7.187 7.840 720 1HB ASN 92 2HB ASN 92 -10.833 -5.132 9.900 721 2HB ASN 92 1HB ASN 92 -11.928 -6.469 10.236 722 1HD2 ASN 92 1HD2 ASN 92 -10.844 -8.571 9.029 723 2HD2 ASN 92 2HD2 ASN 92 -9.266 -8.907 9.645 724 H ASN 93 H ASN 93 -12.137 -4.445 6.373 725 HA ASN 93 HA ASN 93 -14.954 -4.389 6.983 726 1HB ASN 93 2HB ASN 93 -13.097 -2.184 7.681 727 2HB ASN 93 1HB ASN 93 -14.646 -1.732 6.976 728 1HD2 ASN 93 1HD2 ASN 93 -16.372 -1.661 8.250 729 2HD2 ASN 93 2HD2 ASN 93 -16.438 -2.240 9.876 730 H ARG 94 H ARG 94 -16.031 -4.353 5.139 731 HA ARG 94 HA ARG 94 -14.793 -4.052 2.644 732 1HB ARG 94 2HB ARG 94 -16.925 -5.293 3.086 733 2HB ARG 94 1HB ARG 94 -17.739 -3.741 3.236 734 1HG ARG 94 2HG ARG 94 -17.115 -3.207 0.923 735 2HG ARG 94 1HG ARG 94 -16.349 -4.790 0.779 736 1HD ARG 94 2HD ARG 94 -19.267 -4.255 1.326 737 2HD ARG 94 1HD ARG 94 -18.578 -4.820 -0.194 738 HE ARG 94 HE ARG 94 -19.149 -6.391 2.134 739 1HH1 ARG 94 1HH1 ARG 94 -17.132 -6.151 -0.705 740 2HH1 ARG 94 2HH1 ARG 94 -16.818 -7.852 -0.778 741 1HH2 ARG 94 1HH2 ARG 94 -18.737 -8.629 2.038 742 2HH2 ARG 94 2HH2 ARG 94 -17.730 -9.259 0.778 743 H THR 95 H THR 95 -16.809 -1.807 4.519 744 HA THR 95 HA THR 95 -16.807 0.261 2.636 745 HB THR 95 HB THR 95 -16.954 0.925 5.504 746 HG1 THR 95 HG1 THR 95 -18.757 -0.247 5.888 747 1HG2 THR 95 1HG2 THR 95 -18.978 2.037 4.889 748 2HG2 THR 95 2HG2 THR 95 -18.948 1.277 3.300 749 3HG2 THR 95 3HG2 THR 95 -17.716 2.462 3.733 750 H VAL 96 H VAL 96 -14.646 -0.645 5.211 751 HA VAL 96 HA VAL 96 -13.111 1.737 5.197 752 HB VAL 96 HB VAL 96 -12.404 -1.014 6.217 753 1HG1 VAL 96 1HG1 VAL 96 -10.325 0.001 5.935 754 2HG1 VAL 96 2HG1 VAL 96 -10.736 0.369 7.610 755 3HG1 VAL 96 3HG1 VAL 96 -10.940 1.598 6.361 756 1HG2 VAL 96 1HG2 VAL 96 -14.349 0.314 7.242 757 2HG2 VAL 96 2HG2 VAL 96 -13.099 1.388 7.872 758 3HG2 VAL 96 3HG2 VAL 96 -13.110 -0.315 8.329 759 H MET 97 H MET 97 -12.859 -1.349 3.558 760 HA MET 97 HA MET 97 -10.303 -0.783 2.399 761 1HB MET 97 2HB MET 97 -10.639 -2.770 1.067 762 2HB MET 97 1HB MET 97 -11.142 -3.091 2.720 763 1HG MET 97 2HG MET 97 -13.403 -3.071 2.158 764 2HG MET 97 1HG MET 97 -13.109 -2.279 0.613 765 1HE MET 97 1HE MET 97 -11.022 -3.454 -0.771 766 2HE MET 97 2HE MET 97 -12.464 -3.811 -1.721 767 3HE MET 97 3HE MET 97 -11.294 -5.086 -1.382 768 H ASP 98 H ASP 98 -13.636 -0.273 1.467 769 HA ASP 98 HA ASP 98 -13.056 0.435 -1.228 770 1HB ASP 98 2HB ASP 98 -15.502 0.919 0.476 771 2HB ASP 98 1HB ASP 98 -15.407 1.286 -1.244 772 H ASN 99 H ASN 99 -13.209 2.111 1.795 773 HA ASN 99 HA ASN 99 -13.338 4.736 0.712 774 1HB ASN 99 2HB ASN 99 -12.530 3.716 3.434 775 2HB ASN 99 1HB ASN 99 -12.619 5.427 3.030 776 1HD2 ASN 99 1HD2 ASN 99 -14.110 4.329 5.066 777 2HD2 ASN 99 2HD2 ASN 99 -15.782 4.369 4.634 778 H ILE 100 H ILE 100 -10.801 2.525 1.533 779 HA ILE 100 HA ILE 100 -8.700 4.486 1.170 780 HB ILE 100 HB ILE 100 -8.507 1.500 1.586 781 1HG1 ILE 100 2HG1 ILE 100 -9.563 2.788 3.463 782 2HG1 ILE 100 1HG1 ILE 100 -8.066 1.973 3.901 783 1HG2 ILE 100 1HG2 ILE 100 -6.379 3.624 1.801 784 2HG2 ILE 100 2HG2 ILE 100 -6.536 2.452 0.493 785 3HG2 ILE 100 3HG2 ILE 100 -6.173 1.903 2.129 786 1HD1 ILE 100 1HD1 ILE 100 -6.861 4.001 3.909 787 2HD1 ILE 100 2HD1 ILE 100 -8.362 4.304 4.785 788 3HD1 ILE 100 3HD1 ILE 100 -8.178 4.871 3.125 789 H LYS 101 H LYS 101 -9.937 1.614 -0.495 790 HA LYS 101 HA LYS 101 -8.091 1.414 -2.541 791 1HB LYS 101 2HB LYS 101 -9.879 -0.229 -2.103 792 2HB LYS 101 1HB LYS 101 -11.066 0.909 -2.726 793 1HG LYS 101 2HG LYS 101 -9.772 0.866 -4.897 794 2HG LYS 101 1HG LYS 101 -8.888 -0.509 -4.231 795 1HD LYS 101 2HD LYS 101 -11.878 -0.345 -4.611 796 2HD LYS 101 1HD LYS 101 -10.755 -1.239 -5.637 797 1HE LYS 101 2HE LYS 101 -10.067 -2.397 -3.412 798 2HE LYS 101 1HE LYS 101 -11.622 -1.805 -2.831 799 1HZ LYS 101 1HZ LYS 101 -11.537 -4.121 -3.853 800 2HZ LYS 101 2HZ LYS 101 -11.410 -3.338 -5.347 801 3HZ LYS 101 3HZ LYS 101 -12.771 -3.086 -4.374 802 H MET 102 H MET 102 -11.133 3.274 -2.559 803 HA MET 102 HA MET 102 -10.721 4.370 -5.129 804 1HB MET 102 2HB MET 102 -12.445 5.348 -2.853 805 2HB MET 102 1HB MET 102 -12.518 5.966 -4.498 806 1HG MET 102 2HG MET 102 -13.118 3.693 -5.273 807 2HG MET 102 1HG MET 102 -13.164 3.171 -3.591 808 1HE MET 102 1HE MET 102 -15.629 2.336 -3.571 809 2HE MET 102 2HE MET 102 -15.618 2.592 -5.317 810 3HE MET 102 3HE MET 102 -16.956 3.204 -4.343 811 H THR 103 H THR 103 -9.796 5.391 -1.934 812 HA THR 103 HA THR 103 -9.008 8.015 -2.698 813 HB THR 103 HB THR 103 -9.051 6.406 -0.266 814 HG1 THR 103 HG1 THR 103 -10.339 8.178 -0.411 815 1HG2 THR 103 1HG2 THR 103 -6.630 6.626 -0.343 816 2HG2 THR 103 2HG2 THR 103 -7.329 7.597 0.954 817 3HG2 THR 103 3HG2 THR 103 -6.791 8.372 -0.537 818 H LEU 104 H LEU 104 -7.386 4.913 -2.364 819 HA LEU 104 HA LEU 104 -4.753 5.887 -2.760 820 1HB LEU 104 2HB LEU 104 -5.995 3.163 -3.100 821 2HB LEU 104 1HB LEU 104 -4.292 3.465 -3.394 822 HG LEU 104 HG LEU 104 -5.707 3.884 -0.760 823 1HD1 LEU 104 1HD1 LEU 104 -5.529 1.537 -1.246 824 2HD1 LEU 104 2HD1 LEU 104 -4.327 1.961 -0.029 825 3HD1 LEU 104 3HD1 LEU 104 -3.837 1.718 -1.705 826 1HD2 LEU 104 1HD2 LEU 104 -3.384 4.134 0.100 827 2HD2 LEU 104 2HD2 LEU 104 -3.897 5.439 -0.968 828 3HD2 LEU 104 3HD2 LEU 104 -2.820 4.179 -1.569 829 H GLN 105 H GLN 105 -7.340 4.898 -4.904 830 HA GLN 105 HA GLN 105 -5.787 4.702 -7.258 831 1HB GLN 105 2HB GLN 105 -8.725 5.147 -6.778 832 2HB GLN 105 1HB GLN 105 -8.047 5.071 -8.399 833 1HG GLN 105 2HG GLN 105 -7.280 2.819 -8.020 834 2HG GLN 105 1HG GLN 105 -7.818 2.887 -6.342 835 1HE2 GLN 105 1HE2 GLN 105 -8.550 1.439 -9.031 836 2HE2 GLN 105 2HE2 GLN 105 -10.277 1.418 -8.972 837 H GLN 106 H GLN 106 -7.327 7.352 -5.614 838 HA GLN 106 HA GLN 106 -7.176 9.237 -7.708 839 1HB GLN 106 2HB GLN 106 -7.248 9.604 -4.710 840 2HB GLN 106 1HB GLN 106 -7.344 10.933 -5.854 841 1HG GLN 106 2HG GLN 106 -9.399 10.038 -6.768 842 2HG GLN 106 1HG GLN 106 -9.288 8.642 -5.698 843 1HE2 GLN 106 1HE2 GLN 106 -11.520 10.244 -5.743 844 2HE2 GLN 106 2HE2 GLN 106 -11.638 11.107 -4.251 845 H ILE 107 H ILE 107 -4.958 8.365 -5.097 846 HA ILE 107 HA ILE 107 -3.037 10.353 -5.503 847 HB ILE 107 HB ILE 107 -2.651 7.498 -4.586 848 1HG1 ILE 107 2HG1 ILE 107 -2.778 10.011 -2.918 849 2HG1 ILE 107 1HG1 ILE 107 -4.197 9.030 -3.267 850 1HG2 ILE 107 1HG2 ILE 107 -0.468 7.860 -4.565 851 2HG2 ILE 107 2HG2 ILE 107 -0.700 9.251 -3.507 852 3HG2 ILE 107 3HG2 ILE 107 -0.718 9.460 -5.259 853 1HD1 ILE 107 1HD1 ILE 107 -3.693 7.635 -1.631 854 2HD1 ILE 107 2HD1 ILE 107 -2.379 8.720 -1.175 855 3HD1 ILE 107 3HD1 ILE 107 -2.073 7.379 -2.280 856 H ILE 108 H ILE 108 -3.450 7.186 -6.998 857 HA ILE 108 HA ILE 108 -1.162 7.025 -8.560 858 HB ILE 108 HB ILE 108 -3.852 6.217 -9.613 859 1HG1 ILE 108 2HG1 ILE 108 -3.993 5.364 -7.434 860 2HG1 ILE 108 1HG1 ILE 108 -3.404 4.011 -8.390 861 1HG2 ILE 108 1HG2 ILE 108 -2.267 5.750 -11.201 862 2HG2 ILE 108 2HG2 ILE 108 -2.373 4.220 -10.329 863 3HG2 ILE 108 3HG2 ILE 108 -1.037 5.328 -10.011 864 1HD1 ILE 108 1HD1 ILE 108 -1.758 3.796 -6.932 865 2HD1 ILE 108 2HD1 ILE 108 -2.231 5.285 -6.112 866 3HD1 ILE 108 3HD1 ILE 108 -1.126 5.348 -7.483 867 H SER 109 H SER 109 -4.291 8.336 -9.378 868 HA SER 109 HA SER 109 -3.741 9.263 -11.937 869 1HB SER 109 2HB SER 109 -5.625 10.522 -9.934 870 2HB SER 109 1HB SER 109 -5.683 10.722 -11.685 871 HG SER 109 HG SER 109 -7.153 9.119 -10.835 872 H ARG 110 H ARG 110 -2.996 10.669 -8.851 873 HA ARG 110 HA ARG 110 -2.349 13.255 -9.822 874 1HB ARG 110 2HB ARG 110 -1.572 11.854 -7.266 875 2HB ARG 110 1HB ARG 110 -1.232 13.545 -7.606 876 1HG ARG 110 2HG ARG 110 -3.653 13.959 -7.816 877 2HG ARG 110 1HG ARG 110 -3.952 12.277 -7.373 878 1HD ARG 110 2HD ARG 110 -2.698 12.705 -5.249 879 2HD ARG 110 1HD ARG 110 -2.656 14.412 -5.688 880 HE ARG 110 HE ARG 110 -4.897 12.941 -4.657 881 1HH1 ARG 110 1HH1 ARG 110 -3.923 15.718 -6.532 882 2HH1 ARG 110 2HH1 ARG 110 -5.387 16.594 -6.229 883 1HH2 ARG 110 1HH2 ARG 110 -6.822 14.090 -4.257 884 2HH2 ARG 110 2HH2 ARG 110 -7.032 15.669 -4.936 885 H TYR 111 H TYR 111 -0.592 10.286 -9.409 886 HA TYR 111 HA TYR 111 2.002 11.410 -9.771 887 1HB TYR 111 2HB TYR 111 0.878 8.640 -9.750 888 2HB TYR 111 1HB TYR 111 2.496 8.897 -10.394 889 HD1 TYR 111 HD1 TYR 111 4.248 9.922 -8.906 890 HD2 TYR 111 HD2 TYR 111 0.484 8.608 -7.421 891 HE1 TYR 111 HE1 TYR 111 5.165 9.894 -6.626 892 HE2 TYR 111 HE2 TYR 111 1.392 8.576 -5.135 893 HH TYR 111 HH TYR 111 3.599 8.394 -4.033 894 H LYS 112 H LYS 112 -0.500 10.302 -11.882 895 HA LYS 112 HA LYS 112 1.077 10.011 -14.220 896 1HB LYS 112 2HB LYS 112 -1.883 10.585 -14.013 897 2HB LYS 112 1HB LYS 112 -1.040 9.949 -15.420 898 1HG LYS 112 2HG LYS 112 -1.344 8.563 -12.763 899 2HG LYS 112 1HG LYS 112 -2.237 8.195 -14.239 900 1HD LYS 112 2HD LYS 112 -0.601 6.854 -14.927 901 2HD LYS 112 1HD LYS 112 0.563 8.175 -14.816 902 1HE LYS 112 2HE LYS 112 0.934 7.683 -12.467 903 2HE LYS 112 1HE LYS 112 -0.290 6.415 -12.520 904 1HZ LYS 112 1HZ LYS 112 1.065 5.035 -13.739 905 2HZ LYS 112 2HZ LYS 112 2.197 5.803 -12.744 906 3HZ LYS 112 3HZ LYS 112 2.010 6.298 -14.351 907 H ASP 113 H ASP 113 -0.616 12.683 -12.711 908 HA ASP 113 HA ASP 113 -0.616 14.489 -14.848 909 1HB ASP 113 2HB ASP 113 -0.458 14.980 -11.870 910 2HB ASP 113 1HB ASP 113 -0.720 16.249 -13.061 911 H ALA 114 H ALA 114 1.866 13.699 -12.478 912 HA ALA 114 HA ALA 114 3.648 15.792 -13.021 913 1HB ALA 114 1HB ALA 114 3.966 14.456 -11.071 914 2HB ALA 114 2HB ALA 114 5.385 14.246 -12.097 915 3HB ALA 114 3HB ALA 114 4.147 12.990 -12.034 916 H ASP 115 H ASP 115 3.074 12.747 -14.660 917 HA ASP 115 HA ASP 115 4.264 13.626 -17.061 918 1HB ASP 115 2HB ASP 115 6.345 13.237 -15.764 919 2HB ASP 115 1HB ASP 115 5.870 11.556 -15.546 Start of MODEL 2 1 HT1 PRO 1 HT2 PRO 1 -13.753 11.945 7.292 2 HT2 PRO 1 HT1 PRO 1 -14.702 10.761 6.515 3 HA PRO 1 HA PRO 1 -12.121 10.594 7.500 4 1HB PRO 1 2HB PRO 1 -13.071 8.224 8.606 5 2HB PRO 1 1HB PRO 1 -12.524 9.643 9.507 6 1HG PRO 1 2HG PRO 1 -15.293 8.787 8.820 7 2HG PRO 1 1HG PRO 1 -14.702 9.627 10.262 8 1HD PRO 1 2HD PRO 1 -16.071 10.893 8.288 9 2HD PRO 1 1HD PRO 1 -14.822 11.704 9.253 10 H SER 2 H SER 2 -11.121 9.557 5.893 11 HA SER 2 HA SER 2 -12.216 7.193 4.683 12 1HB SER 2 2HB SER 2 -13.453 8.657 3.304 13 2HB SER 2 1HB SER 2 -12.109 9.791 3.160 14 HG SER 2 HG SER 2 -12.080 8.682 1.287 15 H HIS 3 H HIS 3 -9.809 9.784 4.407 16 HA HIS 3 HA HIS 3 -7.882 8.369 2.969 17 1HB HIS 3 2HB HIS 3 -7.742 10.693 4.860 18 2HB HIS 3 1HB HIS 3 -6.269 9.998 4.195 19 HD1 HIS 3 HD1 HIS 3 -9.131 12.175 3.341 20 HD2 HIS 3 HD2 HIS 3 -5.982 10.309 1.374 21 HE1 HIS 3 HE1 HIS 3 -9.010 13.267 1.080 22 HE2 HIS 3 HE2 HIS 3 -7.043 12.182 -0.061 23 H SER 4 H SER 4 -8.797 8.186 6.287 24 HA SER 4 HA SER 4 -6.542 6.360 6.804 25 1HB SER 4 2HB SER 4 -6.826 6.922 9.208 26 2HB SER 4 1HB SER 4 -6.405 8.328 8.231 27 HG SER 4 HG SER 4 -9.048 7.629 8.991 28 H GLY 5 H GLY 5 -7.011 4.313 7.200 29 1HA GLY 5 2HA GLY 5 -9.524 3.560 8.445 30 2HA GLY 5 1HA GLY 5 -9.318 3.017 6.785 31 H ALA 6 H ALA 6 -9.507 1.487 9.327 32 HA ALA 6 HA ALA 6 -6.988 0.473 10.039 33 1HB ALA 6 1HB ALA 6 -8.204 -1.416 11.010 34 2HB ALA 6 2HB ALA 6 -9.680 -0.864 10.215 35 3HB ALA 6 3HB ALA 6 -8.918 0.135 11.454 36 H ALA 7 H ALA 7 -5.763 -1.162 9.305 37 HA ALA 7 HA ALA 7 -6.721 -2.971 7.276 38 1HB ALA 7 1HB ALA 7 -4.556 -0.978 6.646 39 2HB ALA 7 2HB ALA 7 -6.145 -1.091 5.888 40 3HB ALA 7 3HB ALA 7 -4.959 -2.374 5.645 41 H ILE 8 H ILE 8 -5.421 -4.809 6.988 42 HA ILE 8 HA ILE 8 -3.459 -5.223 9.119 43 HB ILE 8 HB ILE 8 -4.588 -7.258 7.205 44 1HG1 ILE 8 2HG1 ILE 8 -5.478 -6.838 10.048 45 2HG1 ILE 8 1HG1 ILE 8 -6.288 -6.069 8.683 46 1HG2 ILE 8 1HG2 ILE 8 -3.566 -7.943 9.907 47 2HG2 ILE 8 2HG2 ILE 8 -2.395 -7.589 8.638 48 3HG2 ILE 8 3HG2 ILE 8 -3.563 -8.890 8.420 49 1HD1 ILE 8 1HD1 ILE 8 -7.148 -8.332 9.607 50 2HD1 ILE 8 2HD1 ILE 8 -5.822 -9.001 8.648 51 3HD1 ILE 8 3HD1 ILE 8 -7.085 -8.043 7.867 52 H PHE 9 H PHE 9 -1.386 -5.845 8.769 53 HA PHE 9 HA PHE 9 -0.442 -6.246 6.046 54 1HB PHE 9 2HB PHE 9 -0.189 -3.833 6.392 55 2HB PHE 9 1HB PHE 9 0.719 -4.131 7.867 56 HD1 PHE 9 HD1 PHE 9 0.842 -5.402 4.361 57 HD2 PHE 9 HD2 PHE 9 2.954 -3.728 7.651 58 HE1 PHE 9 HE1 PHE 9 2.926 -5.478 3.054 59 HE2 PHE 9 HE2 PHE 9 5.043 -3.799 6.352 60 HZ PHE 9 HZ PHE 9 5.031 -4.675 4.050 61 H GLU 10 H GLU 10 0.373 -8.214 6.275 62 HA GLU 10 HA GLU 10 1.879 -9.826 6.829 63 1HB GLU 10 2HB GLU 10 2.943 -7.958 8.943 64 2HB GLU 10 1HB GLU 10 3.735 -9.380 8.288 65 1HG GLU 10 2HG GLU 10 3.834 -8.270 6.087 66 2HG GLU 10 1HG GLU 10 3.141 -6.823 6.820 67 H LYS 11 H LYS 11 -0.628 -10.075 7.731 68 HA LYS 11 HA LYS 11 -1.920 -11.203 9.179 69 1HB LYS 11 2HB LYS 11 0.824 -12.078 9.878 70 2HB LYS 11 1HB LYS 11 -0.505 -12.578 10.919 71 1HG LYS 11 2HG LYS 11 -0.729 -12.946 7.973 72 2HG LYS 11 1HG LYS 11 0.264 -14.066 8.913 73 1HD LYS 11 2HD LYS 11 -1.716 -14.434 10.404 74 2HD LYS 11 1HD LYS 11 -2.673 -13.478 9.270 75 1HE LYS 11 2HE LYS 11 -2.720 -15.122 7.717 76 2HE LYS 11 1HE LYS 11 -1.089 -15.672 8.097 77 1HZ LYS 11 1HZ LYS 11 -3.626 -16.362 9.440 78 2HZ LYS 11 2HZ LYS 11 -2.145 -16.548 10.237 79 3HZ LYS 11 3HZ LYS 11 -2.447 -17.396 8.805 80 H VAL 12 H VAL 12 -0.596 -8.450 9.971 81 HA VAL 12 HA VAL 12 -1.603 -8.545 12.708 82 HB VAL 12 HB VAL 12 0.688 -6.861 11.697 83 1HG1 VAL 12 1HG1 VAL 12 -0.756 -5.682 13.328 84 2HG1 VAL 12 2HG1 VAL 12 0.873 -5.982 13.935 85 3HG1 VAL 12 3HG1 VAL 12 -0.470 -6.990 14.477 86 1HG2 VAL 12 1HG2 VAL 12 1.777 -8.796 12.109 87 2HG2 VAL 12 2HG2 VAL 12 0.522 -9.397 13.192 88 3HG2 VAL 12 3HG2 VAL 12 1.699 -8.219 13.773 89 H SER 13 H SER 13 -3.047 -6.943 13.256 90 HA SER 13 HA SER 13 -3.919 -5.272 11.011 91 1HB SER 13 2HB SER 13 -5.589 -6.790 12.046 92 2HB SER 13 1HB SER 13 -5.394 -5.930 13.572 93 HG SER 13 HG SER 13 -7.003 -4.819 12.738 94 H GLY 14 H GLY 14 -4.252 -3.121 11.159 95 1HA GLY 14 2HA GLY 14 -3.865 -1.639 13.581 96 2HA GLY 14 1HA GLY 14 -2.488 -1.527 12.490 97 H ILE 15 H ILE 15 -3.489 0.819 12.881 98 HA ILE 15 HA ILE 15 -5.629 1.339 10.981 99 HB ILE 15 HB ILE 15 -4.210 3.157 12.920 100 1HG1 ILE 15 2HG1 ILE 15 -6.347 1.303 13.171 101 2HG1 ILE 15 1HG1 ILE 15 -5.731 2.418 14.387 102 1HG2 ILE 15 1HG2 ILE 15 -6.432 3.775 10.976 103 2HG2 ILE 15 2HG2 ILE 15 -4.817 4.486 11.014 104 3HG2 ILE 15 3HG2 ILE 15 -5.961 4.821 12.315 105 1HD1 ILE 15 1HD1 ILE 15 -7.965 2.898 12.434 106 2HD1 ILE 15 2HD1 ILE 15 -7.279 4.145 13.475 107 3HD1 ILE 15 3HD1 ILE 15 -8.079 2.743 14.187 108 H ILE 16 H ILE 16 -5.330 2.009 9.000 109 HA ILE 16 HA ILE 16 -2.630 2.754 8.140 110 HB ILE 16 HB ILE 16 -4.844 1.246 6.960 111 1HG1 ILE 16 2HG1 ILE 16 -1.880 1.496 6.440 112 2HG1 ILE 16 1HG1 ILE 16 -2.725 0.219 7.301 113 1HG2 ILE 16 1HG2 ILE 16 -3.520 3.383 5.289 114 2HG2 ILE 16 2HG2 ILE 16 -5.244 3.146 5.573 115 3HG2 ILE 16 3HG2 ILE 16 -4.342 1.980 4.605 116 1HD1 ILE 16 1HD1 ILE 16 -2.025 0.322 4.575 117 2HD1 ILE 16 2HD1 ILE 16 -3.784 0.367 4.673 118 3HD1 ILE 16 3HD1 ILE 16 -2.891 -0.948 5.438 119 H ALA 17 H ALA 17 -2.216 4.837 7.823 120 HA ALA 17 HA ALA 17 -4.456 6.639 7.174 121 1HB ALA 17 1HB ALA 17 -3.526 7.153 9.343 122 2HB ALA 17 2HB ALA 17 -3.118 8.438 8.204 123 3HB ALA 17 3HB ALA 17 -1.903 7.244 8.659 124 H ILE 18 H ILE 18 -4.235 8.089 5.508 125 HA ILE 18 HA ILE 18 -1.921 7.645 3.758 126 HB ILE 18 HB ILE 18 -4.795 8.067 3.272 127 1HG1 ILE 18 2HG1 ILE 18 -2.632 6.885 1.527 128 2HG1 ILE 18 1HG1 ILE 18 -3.480 5.989 2.783 129 1HG2 ILE 18 1HG2 ILE 18 -4.253 10.136 2.349 130 2HG2 ILE 18 2HG2 ILE 18 -4.269 9.039 0.968 131 3HG2 ILE 18 3HG2 ILE 18 -2.734 9.545 1.675 132 1HD1 ILE 18 1HD1 ILE 18 -5.426 7.209 1.133 133 2HD1 ILE 18 2HD1 ILE 18 -5.070 5.494 1.336 134 3HD1 ILE 18 3HD1 ILE 18 -4.239 6.426 0.090 135 H ASN 19 H ASN 19 -0.419 9.157 4.072 136 HA ASN 19 HA ASN 19 -1.273 11.922 4.578 137 1HB ASN 19 2HB ASN 19 1.432 10.630 4.999 138 2HB ASN 19 1HB ASN 19 1.019 12.295 5.398 139 1HD2 ASN 19 1HD2 ASN 19 -1.395 12.084 6.565 140 2HD2 ASN 19 2HD2 ASN 19 -1.291 11.143 8.011 141 H GLU 20 H GLU 20 -1.429 13.069 2.766 142 HA GLU 20 HA GLU 20 0.318 12.486 0.513 143 1HB GLU 20 2HB GLU 20 -2.006 14.402 0.782 144 2HB GLU 20 1HB GLU 20 -1.107 14.119 -0.702 145 1HG GLU 20 2HG GLU 20 -1.798 11.763 -0.650 146 2HG GLU 20 1HG GLU 20 -2.740 12.089 0.805 147 H ASP 21 H ASP 21 0.210 14.617 3.156 148 HA ASP 21 HA ASP 21 1.260 16.978 2.169 149 1HB ASP 21 2HB ASP 21 1.784 15.583 4.799 150 2HB ASP 21 1HB ASP 21 2.317 17.224 4.444 151 H VAL 22 H VAL 22 2.738 13.885 2.485 152 HA VAL 22 HA VAL 22 5.432 14.842 2.262 153 HB VAL 22 HB VAL 22 4.724 12.025 1.740 154 1HG1 VAL 22 1HG1 VAL 22 7.044 13.565 2.675 155 2HG1 VAL 22 2HG1 VAL 22 6.973 12.108 1.682 156 3HG1 VAL 22 3HG1 VAL 22 6.809 11.990 3.434 157 1HG2 VAL 22 1HG2 VAL 22 3.444 12.029 3.608 158 2HG2 VAL 22 2HG2 VAL 22 4.225 13.469 4.265 159 3HG2 VAL 22 3HG2 VAL 22 5.016 11.897 4.396 160 H SER 23 H SER 23 6.836 14.383 0.481 161 HA SER 23 HA SER 23 5.499 13.739 -2.042 162 1HB SER 23 2HB SER 23 7.167 15.668 -2.921 163 2HB SER 23 1HB SER 23 5.487 15.969 -2.480 164 HG SER 23 HG SER 23 6.151 16.726 -0.505 165 HA PRO 24 HA PRO 24 5.587 12.297 -3.413 166 1HB PRO 24 2HB PRO 24 6.365 9.497 -3.012 167 2HB PRO 24 1HB PRO 24 5.948 10.342 -4.506 168 1HG PRO 24 2HG PRO 24 8.466 9.549 -3.963 169 2HG PRO 24 1HG PRO 24 8.115 11.025 -4.883 170 1HD PRO 24 2HD PRO 24 8.881 10.724 -2.000 171 2HD PRO 24 1HD PRO 24 9.431 11.922 -3.193 172 H ALA 25 H ALA 25 3.661 11.562 -2.539 173 HA ALA 25 HA ALA 25 3.312 11.666 0.213 174 1HB ALA 25 1HB ALA 25 1.601 10.497 -1.966 175 2HB ALA 25 2HB ALA 25 1.418 12.039 -1.131 176 3HB ALA 25 3HB ALA 25 1.086 10.530 -0.280 177 H GLU 26 H GLU 26 2.224 9.816 1.498 178 HA GLU 26 HA GLU 26 3.218 7.164 0.911 179 1HB GLU 26 2HB GLU 26 4.244 8.685 3.314 180 2HB GLU 26 1HB GLU 26 4.482 6.964 3.034 181 1HG GLU 26 2HG GLU 26 5.695 7.515 0.950 182 2HG GLU 26 1HG GLU 26 5.537 9.224 1.351 183 H LEU 27 H LEU 27 2.400 5.540 2.355 184 HA LEU 27 HA LEU 27 0.019 6.428 3.848 185 1HB LEU 27 2HB LEU 27 -0.453 5.059 1.845 186 2HB LEU 27 1HB LEU 27 0.524 3.767 2.514 187 HG LEU 27 HG LEU 27 -1.822 4.800 4.059 188 1HD1 LEU 27 1HD1 LEU 27 -1.917 2.814 1.793 189 2HD1 LEU 27 2HD1 LEU 27 -2.741 4.373 1.874 190 3HD1 LEU 27 3HD1 LEU 27 -3.210 3.070 2.966 191 1HD2 LEU 27 1HD2 LEU 27 -1.825 2.285 4.624 192 2HD2 LEU 27 2HD2 LEU 27 -0.571 3.307 5.324 193 3HD2 LEU 27 3HD2 LEU 27 -0.202 2.284 3.934 194 H THR 28 H THR 28 0.256 6.289 5.990 195 HA THR 28 HA THR 28 2.320 4.664 7.145 196 HB THR 28 HB THR 28 0.486 6.090 8.912 197 HG1 THR 28 HG1 THR 28 1.861 7.502 6.886 198 1HG2 THR 28 1HG2 THR 28 3.408 6.457 8.388 199 2HG2 THR 28 2HG2 THR 28 2.727 5.349 9.578 200 3HG2 THR 28 3HG2 THR 28 2.497 7.089 9.757 201 H TRP 29 H TRP 29 2.005 3.051 8.669 202 HA TRP 29 HA TRP 29 -0.719 2.059 9.063 203 1HB TRP 29 2HB TRP 29 0.324 0.672 7.325 204 2HB TRP 29 1HB TRP 29 1.694 0.358 8.391 205 HD1 TRP 29 HD1 TRP 29 -2.125 0.088 8.968 206 HE1 TRP 29 HE1 TRP 29 -2.627 -2.243 9.959 207 HE3 TRP 29 HE3 TRP 29 2.621 -1.810 9.031 208 HZ2 TRP 29 HZ2 TRP 29 -1.198 -4.546 10.669 209 HZ3 TRP 29 HZ3 TRP 29 2.964 -4.094 9.889 210 HH2 TRP 29 HH2 TRP 29 1.081 -5.439 10.689 211 H ARG 30 H ARG 30 -1.064 2.267 11.178 212 HA ARG 30 HA ARG 30 1.159 1.688 13.019 213 1HB ARG 30 2HB ARG 30 -1.374 3.299 13.341 214 2HB ARG 30 1HB ARG 30 -0.407 2.799 14.723 215 1HG ARG 30 2HG ARG 30 1.512 4.007 13.827 216 2HG ARG 30 1HG ARG 30 0.551 4.504 12.433 217 1HD ARG 30 2HD ARG 30 0.014 5.205 15.317 218 2HD ARG 30 1HD ARG 30 0.662 6.288 14.085 219 HE ARG 30 HE ARG 30 -1.807 5.246 13.221 220 1HH1 ARG 30 1HH1 ARG 30 -0.489 7.479 15.558 221 2HH1 ARG 30 2HH1 ARG 30 -1.912 8.464 15.603 222 1HH2 ARG 30 1HH2 ARG 30 -3.679 6.543 13.279 223 2HH2 ARG 30 2HH2 ARG 30 -3.722 7.933 14.310 224 H SER 31 H SER 31 1.093 -0.141 14.218 225 HA SER 31 HA SER 31 -0.878 -2.083 13.799 226 1HB SER 31 2HB SER 31 0.232 -3.356 15.553 227 2HB SER 31 1HB SER 31 1.440 -2.587 14.525 228 HG SER 31 HG SER 31 1.344 -0.846 16.209 229 H THR 32 H THR 32 -2.279 -3.063 15.429 230 HA THR 32 HA THR 32 -4.074 -1.246 16.534 231 HB THR 32 HB THR 32 -3.589 -4.162 16.589 232 HG1 THR 32 HG1 THR 32 -5.398 -4.156 15.496 233 1HG2 THR 32 1HG2 THR 32 -5.408 -2.850 18.572 234 2HG2 THR 32 2HG2 THR 32 -4.034 -3.907 18.897 235 3HG2 THR 32 3HG2 THR 32 -5.477 -4.552 18.117 236 H ASP 33 H ASP 33 -1.288 -2.865 17.789 237 HA ASP 33 HA ASP 33 -1.751 -2.285 20.534 238 1HB ASP 33 2HB ASP 33 0.771 -3.065 19.071 239 2HB ASP 33 1HB ASP 33 0.645 -2.936 20.823 240 H GLY 34 H GLY 34 -0.147 -0.657 17.921 241 1HA GLY 34 2HA GLY 34 0.350 1.608 17.758 242 2HA GLY 34 1HA GLY 34 -0.056 1.793 19.458 243 H ASP 35 H ASP 35 2.129 -0.692 18.471 244 HA ASP 35 HA ASP 35 4.337 0.825 19.674 245 1HB ASP 35 2HB ASP 35 3.861 -2.156 19.551 246 2HB ASP 35 1HB ASP 35 5.349 -1.421 20.141 247 H LYS 36 H LYS 36 3.226 -0.715 16.826 248 HA LYS 36 HA LYS 36 5.871 -0.323 15.594 249 1HB LYS 36 2HB LYS 36 4.166 -2.687 15.638 250 2HB LYS 36 1HB LYS 36 4.582 -2.195 14.001 251 1HG LYS 36 2HG LYS 36 6.965 -2.216 14.636 252 2HG LYS 36 1HG LYS 36 6.507 -2.808 16.233 253 1HD LYS 36 2HD LYS 36 5.447 -4.771 15.151 254 2HD LYS 36 1HD LYS 36 6.041 -4.192 13.593 255 1HE LYS 36 2HE LYS 36 8.339 -4.364 14.396 256 2HE LYS 36 1HE LYS 36 7.757 -4.909 15.969 257 1HZ LYS 36 1HZ LYS 36 7.385 -6.336 13.391 258 2HZ LYS 36 2HZ LYS 36 6.800 -6.856 14.890 259 3HZ LYS 36 3HZ LYS 36 8.467 -6.770 14.618 260 H VAL 37 H VAL 37 5.900 1.065 13.963 261 HA VAL 37 HA VAL 37 3.369 1.645 12.568 262 HB VAL 37 HB VAL 37 5.528 3.665 13.193 263 1HG1 VAL 37 1HG1 VAL 37 2.838 4.573 12.472 264 2HG1 VAL 37 2HG1 VAL 37 3.689 3.724 11.181 265 3HG1 VAL 37 3HG1 VAL 37 4.414 5.146 11.929 266 1HG2 VAL 37 1HG2 VAL 37 3.377 4.540 14.553 267 2HG2 VAL 37 2HG2 VAL 37 4.640 3.535 15.265 268 3HG2 VAL 37 3HG2 VAL 37 3.143 2.798 14.695 269 H HIS 38 H HIS 38 3.462 1.177 10.486 270 HA HIS 38 HA HIS 38 6.097 1.157 9.166 271 1HB HIS 38 2HB HIS 38 5.000 -1.016 9.153 272 2HB HIS 38 1HB HIS 38 3.574 -0.307 8.412 273 HD1 HIS 38 HD1 HIS 38 6.431 -2.198 7.531 274 HD2 HIS 38 HD2 HIS 38 4.390 0.965 5.772 275 HE1 HIS 38 HE1 HIS 38 7.084 -2.243 5.102 276 HE2 HIS 38 HE2 HIS 38 5.906 -0.266 4.077 277 H THR 39 H THR 39 6.413 2.181 7.276 278 HA THR 39 HA THR 39 4.263 3.992 6.388 279 HB THR 39 HB THR 39 7.219 4.480 6.039 280 HG1 THR 39 HG1 THR 39 7.170 5.674 7.878 281 1HG2 THR 39 1HG2 THR 39 5.805 5.792 4.565 282 2HG2 THR 39 2HG2 THR 39 6.568 6.808 5.787 283 3HG2 THR 39 3HG2 THR 39 4.871 6.356 5.951 284 H VAL 40 H VAL 40 3.606 3.852 4.337 285 HA VAL 40 HA VAL 40 5.131 2.099 2.529 286 HB VAL 40 HB VAL 40 2.212 2.822 2.307 287 1HG1 VAL 40 1HG1 VAL 40 3.579 0.450 1.096 288 2HG1 VAL 40 2HG1 VAL 40 3.575 2.018 0.287 289 3HG1 VAL 40 3HG1 VAL 40 2.051 1.204 0.642 290 1HG2 VAL 40 1HG2 VAL 40 1.625 0.819 3.383 291 2HG2 VAL 40 2HG2 VAL 40 2.859 1.548 4.409 292 3HG2 VAL 40 3HG2 VAL 40 3.280 0.212 3.337 293 H VAL 41 H VAL 41 5.777 2.812 0.571 294 HA VAL 41 HA VAL 41 5.417 5.653 0.003 295 HB VAL 41 HB VAL 41 7.147 3.668 -1.479 296 1HG1 VAL 41 1HG1 VAL 41 7.164 5.408 -2.913 297 2HG1 VAL 41 2HG1 VAL 41 8.336 6.069 -1.772 298 3HG1 VAL 41 3HG1 VAL 41 6.645 6.564 -1.685 299 1HG2 VAL 41 1HG2 VAL 41 9.016 4.706 -0.160 300 2HG2 VAL 41 2HG2 VAL 41 7.928 3.675 0.769 301 3HG2 VAL 41 3HG2 VAL 41 7.789 5.429 0.878 302 H LEU 42 H LEU 42 4.023 6.370 -1.464 303 HA LEU 42 HA LEU 42 2.534 4.457 -3.056 304 1HB LEU 42 2HB LEU 42 2.120 7.428 -3.067 305 2HB LEU 42 1HB LEU 42 0.956 6.159 -3.394 306 HG LEU 42 HG LEU 42 2.119 6.877 -0.704 307 1HD1 LEU 42 1HD1 LEU 42 -0.647 6.975 -0.616 308 2HD1 LEU 42 2HD1 LEU 42 -0.235 7.708 -2.165 309 3HD1 LEU 42 3HD1 LEU 42 0.455 8.349 -0.674 310 1HD2 LEU 42 1HD2 LEU 42 0.075 5.172 -0.190 311 2HD2 LEU 42 2HD2 LEU 42 1.775 4.700 -0.256 312 3HD2 LEU 42 3HD2 LEU 42 0.738 4.468 -1.666 313 H SER 43 H SER 43 5.259 6.403 -3.510 314 HA SER 43 HA SER 43 4.823 7.001 -6.290 315 1HB SER 43 2HB SER 43 6.230 8.557 -5.253 316 2HB SER 43 1HB SER 43 7.141 7.311 -4.399 317 HG SER 43 HG SER 43 8.338 6.976 -6.129 318 H THR 44 H THR 44 6.277 4.451 -4.423 319 HA THR 44 HA THR 44 7.638 3.286 -6.675 320 HB THR 44 HB THR 44 8.547 3.069 -4.399 321 HG1 THR 44 HG1 THR 44 7.757 0.616 -5.579 322 1HG2 THR 44 1HG2 THR 44 7.577 1.582 -2.779 323 2HG2 THR 44 2HG2 THR 44 6.211 1.259 -3.847 324 3HG2 THR 44 3HG2 THR 44 6.434 2.869 -3.163 325 H ILE 45 H ILE 45 4.503 3.124 -5.307 326 HA ILE 45 HA ILE 45 3.767 0.513 -6.098 327 HB ILE 45 HB ILE 45 1.922 2.886 -5.835 328 1HG1 ILE 45 2HG1 ILE 45 3.238 2.747 -3.814 329 2HG1 ILE 45 1HG1 ILE 45 1.628 2.120 -3.478 330 1HG2 ILE 45 1HG2 ILE 45 1.402 -0.054 -5.431 331 2HG2 ILE 45 2HG2 ILE 45 0.988 0.853 -6.885 332 3HG2 ILE 45 3HG2 ILE 45 0.220 1.252 -5.348 333 1HD1 ILE 45 1HD1 ILE 45 4.190 0.601 -3.801 334 2HD1 ILE 45 2HD1 ILE 45 2.612 -0.184 -3.878 335 3HD1 ILE 45 3HD1 ILE 45 3.107 0.657 -2.410 336 H ASP 46 H ASP 46 4.243 0.004 -8.187 337 HA ASP 46 HA ASP 46 3.852 1.699 -10.406 338 1HB ASP 46 2HB ASP 46 5.329 -0.327 -10.364 339 2HB ASP 46 1HB ASP 46 3.880 -1.327 -10.411 340 H LYS 47 H LYS 47 1.740 -0.451 -8.666 341 HA LYS 47 HA LYS 47 -0.564 0.633 -9.961 342 1HB LYS 47 2HB LYS 47 -1.160 -1.012 -11.388 343 2HB LYS 47 1HB LYS 47 0.544 -1.436 -11.338 344 1HG LYS 47 2HG LYS 47 -0.043 -3.003 -9.440 345 2HG LYS 47 1HG LYS 47 -1.732 -2.725 -9.868 346 1HD LYS 47 2HD LYS 47 -0.565 -3.282 -12.296 347 2HD LYS 47 1HD LYS 47 0.294 -4.357 -11.191 348 1HE LYS 47 2HE LYS 47 -2.132 -4.863 -10.317 349 2HE LYS 47 1HE LYS 47 -2.596 -4.286 -11.916 350 1HZ LYS 47 1HZ LYS 47 -1.117 -6.694 -11.164 351 2HZ LYS 47 2HZ LYS 47 -0.712 -5.955 -12.630 352 3HZ LYS 47 3HZ LYS 47 -2.297 -6.480 -12.358 353 H LEU 48 H LEU 48 -2.604 -0.492 -9.124 354 HA LEU 48 HA LEU 48 -2.200 -1.763 -6.525 355 1HB LEU 48 2HB LEU 48 -3.522 -0.228 -5.318 356 2HB LEU 48 1HB LEU 48 -2.365 0.730 -6.221 357 HG LEU 48 HG LEU 48 -5.285 0.345 -6.883 358 1HD1 LEU 48 1HD1 LEU 48 -4.117 3.017 -6.484 359 2HD1 LEU 48 2HD1 LEU 48 -4.228 2.005 -5.043 360 3HD1 LEU 48 3HD1 LEU 48 -5.678 2.368 -5.979 361 1HD2 LEU 48 1HD2 LEU 48 -4.414 0.542 -8.990 362 2HD2 LEU 48 2HD2 LEU 48 -3.013 1.465 -8.445 363 3HD2 LEU 48 3HD2 LEU 48 -4.589 2.244 -8.564 364 H GLN 49 H GLN 49 -3.691 -3.272 -6.046 365 HA GLN 49 HA GLN 49 -6.143 -3.366 -7.669 366 1HB GLN 49 2HB GLN 49 -4.357 -5.715 -7.004 367 2HB GLN 49 1HB GLN 49 -5.910 -5.820 -7.821 368 1HG GLN 49 2HG GLN 49 -4.974 -4.387 -9.631 369 2HG GLN 49 1HG GLN 49 -3.404 -4.506 -8.838 370 1HE2 GLN 49 1HE2 GLN 49 -2.306 -6.465 -8.848 371 2HE2 GLN 49 2HE2 GLN 49 -2.726 -7.751 -9.924 372 H ALA 50 H ALA 50 -7.833 -4.771 -6.717 373 HA ALA 50 HA ALA 50 -7.598 -5.154 -3.825 374 1HB ALA 50 1HB ALA 50 -9.874 -4.103 -3.544 375 2HB ALA 50 2HB ALA 50 -9.684 -3.457 -5.175 376 3HB ALA 50 3HB ALA 50 -8.556 -2.989 -3.904 377 H THR 51 H THR 51 -9.404 -6.442 -2.935 378 HA THR 51 HA THR 51 -9.901 -8.716 -4.567 379 HB THR 51 HB THR 51 -11.421 -9.340 -2.568 380 HG1 THR 51 HG1 THR 51 -11.659 -7.882 -1.102 381 1HG2 THR 51 1HG2 THR 51 -9.341 -10.397 -2.610 382 2HG2 THR 51 2HG2 THR 51 -9.421 -9.623 -1.027 383 3HG2 THR 51 3HG2 THR 51 -8.471 -8.892 -2.320 384 HA PRO 52 HA PRO 52 -13.693 -7.585 -6.521 385 1HB PRO 52 2HB PRO 52 -14.881 -10.028 -6.747 386 2HB PRO 52 1HB PRO 52 -13.542 -9.500 -7.772 387 1HG PRO 52 2HG PRO 52 -13.494 -11.251 -5.347 388 2HG PRO 52 1HG PRO 52 -12.622 -11.438 -6.880 389 1HD PRO 52 2HD PRO 52 -11.437 -10.455 -4.663 390 2HD PRO 52 1HD PRO 52 -11.002 -9.901 -6.293 391 H ALA 53 H ALA 53 -15.989 -7.484 -6.214 392 HA ALA 53 HA ALA 53 -16.746 -7.203 -3.491 393 1HB ALA 53 1HB ALA 53 -17.617 -6.099 -5.784 394 2HB ALA 53 2HB ALA 53 -18.538 -6.087 -4.280 395 3HB ALA 53 3HB ALA 53 -18.885 -7.297 -5.516 396 H SER 54 H SER 54 -16.650 -9.911 -5.510 397 HA SER 54 HA SER 54 -18.888 -11.264 -4.240 398 1HB SER 54 2HB SER 54 -18.301 -11.521 -6.699 399 2HB SER 54 1HB SER 54 -16.903 -12.458 -6.176 400 HG SER 54 HG SER 54 -18.913 -13.646 -6.690 401 H SER 55 H SER 55 -15.795 -10.624 -3.335 402 HA SER 55 HA SER 55 -15.401 -13.217 -2.024 403 1HB SER 55 2HB SER 55 -13.126 -12.823 -2.033 404 2HB SER 55 1HB SER 55 -13.600 -11.943 -3.487 405 HG SER 55 HG SER 55 -12.341 -10.985 -1.407 406 H GLU 56 H GLU 56 -16.167 -13.327 -0.034 407 HA GLU 56 HA GLU 56 -16.971 -11.150 1.519 408 1HB GLU 56 2HB GLU 56 -16.216 -13.950 2.371 409 2HB GLU 56 1HB GLU 56 -17.029 -12.781 3.404 410 1HG GLU 56 2HG GLU 56 -18.904 -12.716 1.808 411 2HG GLU 56 1HG GLU 56 -18.096 -13.952 0.845 412 H LYS 57 H LYS 57 -13.859 -12.431 0.941 413 HA LYS 57 HA LYS 57 -12.717 -11.266 3.361 414 1HB LYS 57 2HB LYS 57 -10.626 -12.290 2.648 415 2HB LYS 57 1HB LYS 57 -11.924 -13.475 2.616 416 1HG LYS 57 2HG LYS 57 -12.122 -13.157 0.182 417 2HG LYS 57 1HG LYS 57 -10.763 -12.033 0.241 418 1HD LYS 57 2HD LYS 57 -9.890 -14.142 -0.423 419 2HD LYS 57 1HD LYS 57 -9.407 -13.892 1.256 420 1HE LYS 57 2HE LYS 57 -10.829 -15.508 2.051 421 2HE LYS 57 1HE LYS 57 -11.949 -15.337 0.699 422 1HZ LYS 57 1HZ LYS 57 -9.529 -16.949 0.916 423 2HZ LYS 57 2HZ LYS 57 -9.843 -16.249 -0.592 424 3HZ LYS 57 3HZ LYS 57 -10.983 -17.280 0.114 425 H MET 58 H MET 58 -11.870 -9.295 3.426 426 HA MET 58 HA MET 58 -11.585 -7.801 0.931 427 1HB MET 58 2HB MET 58 -11.287 -6.706 3.722 428 2HB MET 58 1HB MET 58 -11.649 -5.825 2.245 429 1HG MET 58 2HG MET 58 -13.813 -6.038 2.613 430 2HG MET 58 1HG MET 58 -13.662 -7.793 2.632 431 1HE MET 58 1HE MET 58 -15.402 -8.520 4.762 432 2HE MET 58 2HE MET 58 -15.883 -7.027 3.956 433 3HE MET 58 3HE MET 58 -15.871 -7.114 5.717 434 H MET 59 H MET 59 -9.669 -7.570 0.004 435 HA MET 59 HA MET 59 -7.281 -7.218 1.619 436 1HB MET 59 2HB MET 59 -7.399 -9.648 1.367 437 2HB MET 59 1HB MET 59 -7.538 -9.475 -0.378 438 1HG MET 59 2HG MET 59 -5.280 -8.301 -0.272 439 2HG MET 59 1HG MET 59 -5.164 -8.940 1.368 440 1HE MET 59 1HE MET 59 -5.538 -11.192 1.996 441 2HE MET 59 2HE MET 59 -4.596 -12.472 1.231 442 3HE MET 59 3HE MET 59 -6.312 -12.301 0.864 443 H LEU 60 H LEU 60 -6.017 -5.707 0.734 444 HA LEU 60 HA LEU 60 -6.380 -5.107 -2.130 445 1HB LEU 60 2HB LEU 60 -5.839 -3.315 0.221 446 2HB LEU 60 1HB LEU 60 -5.488 -2.801 -1.418 447 HG LEU 60 HG LEU 60 -7.833 -3.020 -2.029 448 1HD1 LEU 60 1HD1 LEU 60 -8.870 -4.666 -0.873 449 2HD1 LEU 60 2HD1 LEU 60 -9.349 -3.309 0.148 450 3HD1 LEU 60 3HD1 LEU 60 -7.988 -4.328 0.617 451 1HD2 LEU 60 1HD2 LEU 60 -8.118 -1.519 0.484 452 2HD2 LEU 60 2HD2 LEU 60 -8.394 -1.011 -1.182 453 3HD2 LEU 60 3HD2 LEU 60 -6.755 -1.046 -0.532 454 H ARG 61 H ARG 61 -4.693 -5.618 -3.344 455 HA ARG 61 HA ARG 61 -2.046 -5.816 -2.094 456 1HB ARG 61 2HB ARG 61 -2.884 -7.838 -3.217 457 2HB ARG 61 1HB ARG 61 -3.034 -6.939 -4.721 458 1HG ARG 61 2HG ARG 61 -0.600 -6.562 -4.708 459 2HG ARG 61 1HG ARG 61 -0.481 -7.541 -3.245 460 1HD ARG 61 2HD ARG 61 -1.526 -8.477 -5.916 461 2HD ARG 61 1HD ARG 61 0.070 -8.832 -5.253 462 HE ARG 61 HE ARG 61 -1.964 -9.647 -3.457 463 1HH1 ARG 61 1HH1 ARG 61 -0.437 -10.547 -6.462 464 2HH1 ARG 61 2HH1 ARG 61 -0.781 -12.233 -6.277 465 1HH2 ARG 61 1HH2 ARG 61 -2.417 -11.864 -3.211 466 2HH2 ARG 61 2HH2 ARG 61 -1.906 -12.981 -4.431 467 H LEU 62 H LEU 62 -0.308 -4.681 -2.830 468 HA LEU 62 HA LEU 62 -0.790 -2.785 -5.031 469 1HB LEU 62 2HB LEU 62 -0.158 -2.251 -2.280 470 2HB LEU 62 1HB LEU 62 1.148 -1.679 -3.301 471 HG LEU 62 HG LEU 62 -0.601 -0.446 -4.654 472 1HD1 LEU 62 1HD1 LEU 62 -2.692 0.065 -3.324 473 2HD1 LEU 62 2HD1 LEU 62 -2.290 -1.339 -2.334 474 3HD1 LEU 62 3HD1 LEU 62 -2.604 -1.536 -4.059 475 1HD2 LEU 62 1HD2 LEU 62 -0.241 1.410 -3.413 476 2HD2 LEU 62 2HD2 LEU 62 0.865 0.339 -2.553 477 3HD2 LEU 62 3HD2 LEU 62 -0.750 0.639 -1.911 478 H ILE 63 H ILE 63 0.607 -2.933 -6.644 479 HA ILE 63 HA ILE 63 3.049 -4.500 -6.258 480 HB ILE 63 HB ILE 63 1.755 -3.588 -8.835 481 1HG1 ILE 63 2HG1 ILE 63 1.490 -6.279 -8.808 482 2HG1 ILE 63 1HG1 ILE 63 1.382 -5.950 -7.082 483 1HG2 ILE 63 1HG2 ILE 63 3.531 -5.878 -8.976 484 2HG2 ILE 63 2HG2 ILE 63 4.360 -4.435 -8.391 485 3HG2 ILE 63 3HG2 ILE 63 3.514 -4.400 -9.937 486 1HD1 ILE 63 1HD1 ILE 63 -0.812 -5.840 -7.683 487 2HD1 ILE 63 2HD1 ILE 63 -0.459 -5.177 -9.279 488 3HD1 ILE 63 3HD1 ILE 63 -0.348 -4.148 -7.852 489 H GLY 64 H GLY 64 5.049 -3.682 -6.488 490 1HA GLY 64 2HA GLY 64 5.316 -0.800 -6.572 491 2HA GLY 64 1HA GLY 64 6.602 -1.960 -6.276 492 H LYS 65 H LYS 65 7.572 -0.187 -7.755 493 HA LYS 65 HA LYS 65 7.247 -1.059 -10.553 494 1HB LYS 65 2HB LYS 65 7.864 1.179 -11.265 495 2HB LYS 65 1HB LYS 65 6.481 1.258 -10.182 496 1HG LYS 65 2HG LYS 65 8.052 1.823 -8.331 497 2HG LYS 65 1HG LYS 65 9.343 1.917 -9.532 498 1HD LYS 65 2HD LYS 65 6.809 3.554 -9.605 499 2HD LYS 65 1HD LYS 65 8.352 4.123 -8.965 500 1HE LYS 65 2HE LYS 65 9.389 3.939 -11.107 501 2HE LYS 65 1HE LYS 65 7.986 3.107 -11.777 502 1HZ LYS 65 1HZ LYS 65 6.865 5.026 -12.044 503 2HZ LYS 65 2HZ LYS 65 8.411 5.708 -12.062 504 3HZ LYS 65 3HZ LYS 65 7.491 5.737 -10.643 505 H VAL 66 H VAL 66 9.361 -0.116 -11.789 506 HA VAL 66 HA VAL 66 11.661 -1.231 -10.322 507 HB VAL 66 HB VAL 66 11.353 -1.147 -13.322 508 1HG1 VAL 66 1HG1 VAL 66 13.646 -1.279 -12.559 509 2HG1 VAL 66 2HG1 VAL 66 13.160 -2.824 -13.258 510 3HG1 VAL 66 3HG1 VAL 66 13.247 -2.635 -11.506 511 1HG2 VAL 66 1HG2 VAL 66 9.849 -2.782 -13.109 512 2HG2 VAL 66 2HG2 VAL 66 10.159 -2.949 -11.381 513 3HG2 VAL 66 3HG2 VAL 66 11.177 -3.797 -12.546 514 H ASP 67 H ASP 67 13.557 -0.107 -10.270 515 HA ASP 67 HA ASP 67 13.445 2.693 -10.814 516 1HB ASP 67 2HB ASP 67 15.718 0.909 -9.923 517 2HB ASP 67 1HB ASP 67 15.834 2.662 -10.048 518 H GLU 68 H GLU 68 12.916 2.077 -13.187 519 HA GLU 68 HA GLU 68 15.282 2.671 -14.731 520 1HB GLU 68 2HB GLU 68 13.755 0.095 -15.096 521 2HB GLU 68 1HB GLU 68 14.788 0.776 -16.345 522 1HG GLU 68 2HG GLU 68 16.698 0.654 -14.804 523 2HG GLU 68 1HG GLU 68 15.650 -0.085 -13.594 524 H SER 69 H SER 69 13.073 4.234 -14.217 525 HA SER 69 HA SER 69 10.985 4.084 -16.062 526 1HB SER 69 2HB SER 69 10.538 6.405 -15.529 527 2HB SER 69 1HB SER 69 11.025 5.567 -14.056 528 HG SER 69 HG SER 69 12.310 7.271 -13.977 529 H LYS 70 H LYS 70 14.256 5.093 -16.448 530 HA LYS 70 HA LYS 70 14.016 6.749 -18.700 531 1HB LYS 70 2HB LYS 70 16.278 4.931 -17.857 532 2HB LYS 70 1HB LYS 70 16.397 6.137 -19.132 533 1HG LYS 70 2HG LYS 70 15.856 7.888 -17.471 534 2HG LYS 70 1HG LYS 70 15.874 6.650 -16.212 535 1HD LYS 70 2HD LYS 70 18.219 6.125 -16.830 536 2HD LYS 70 1HD LYS 70 18.181 7.464 -17.979 537 1HE LYS 70 2HE LYS 70 19.211 8.284 -16.005 538 2HE LYS 70 1HE LYS 70 17.586 8.963 -16.052 539 1HZ LYS 70 1HZ LYS 70 17.548 8.231 -13.940 540 2HZ LYS 70 2HZ LYS 70 18.746 7.062 -14.190 541 3HZ LYS 70 3HZ LYS 70 17.150 6.747 -14.652 542 H LYS 71 H LYS 71 14.140 3.257 -18.365 543 HA LYS 71 HA LYS 71 13.885 2.988 -21.284 544 1HB LYS 71 2HB LYS 71 14.653 0.872 -19.266 545 2HB LYS 71 1HB LYS 71 14.643 0.690 -21.015 546 1HG LYS 71 2HG LYS 71 16.414 2.574 -19.471 547 2HG LYS 71 1HG LYS 71 16.899 1.008 -20.124 548 1HD LYS 71 2HD LYS 71 16.299 1.836 -22.392 549 2HD LYS 71 1HD LYS 71 15.989 3.423 -21.685 550 1HE LYS 71 2HE LYS 71 18.469 2.895 -20.721 551 2HE LYS 71 1HE LYS 71 18.534 2.075 -22.279 552 1HZ LYS 71 1HZ LYS 71 17.419 4.759 -22.288 553 2HZ LYS 71 2HZ LYS 71 18.450 4.012 -23.401 554 3HZ LYS 71 3HZ LYS 71 19.077 4.649 -21.965 555 H ARG 72 H ARG 72 12.176 1.913 -22.177 556 HA ARG 72 HA ARG 72 10.024 1.142 -20.319 557 1HB ARG 72 2HB ARG 72 9.851 2.252 -23.125 558 2HB ARG 72 1HB ARG 72 8.473 1.655 -22.211 559 1HG ARG 72 2HG ARG 72 8.935 3.367 -20.483 560 2HG ARG 72 1HG ARG 72 10.219 4.004 -21.511 561 1HD ARG 72 2HD ARG 72 8.507 4.322 -23.307 562 2HD ARG 72 1HD ARG 72 7.272 3.880 -22.128 563 HE ARG 72 HE ARG 72 8.923 5.995 -21.176 564 1HH1 ARG 72 1HH1 ARG 72 6.253 5.295 -23.312 565 2HH1 ARG 72 2HH1 ARG 72 5.585 6.888 -23.203 566 1HH2 ARG 72 1HH2 ARG 72 8.045 8.091 -21.030 567 2HH2 ARG 72 2HH2 ARG 72 6.602 8.476 -21.908 568 H LYS 73 H LYS 73 9.419 -0.914 -20.315 569 HA LYS 73 HA LYS 73 10.646 -2.810 -22.067 570 1HB LYS 73 2HB LYS 73 8.459 -3.126 -20.005 571 2HB LYS 73 1HB LYS 73 9.223 -4.463 -20.854 572 1HG LYS 73 2HG LYS 73 11.400 -3.757 -19.900 573 2HG LYS 73 1HG LYS 73 10.543 -2.533 -18.960 574 1HD LYS 73 2HD LYS 73 9.194 -4.337 -17.927 575 2HD LYS 73 1HD LYS 73 10.162 -5.523 -18.806 576 1HE LYS 73 2HE LYS 73 11.254 -5.490 -16.787 577 2HE LYS 73 1HE LYS 73 12.164 -4.268 -17.672 578 1HZ LYS 73 1HZ LYS 73 10.691 -2.582 -16.633 579 2HZ LYS 73 2HZ LYS 73 11.659 -3.414 -15.525 580 3HZ LYS 73 3HZ LYS 73 10.021 -3.804 -15.674 581 H ASP 74 H ASP 74 9.350 -4.468 -23.254 582 HA ASP 74 HA ASP 74 7.127 -3.157 -24.670 583 1HB ASP 74 2HB ASP 74 9.080 -5.260 -25.623 584 2HB ASP 74 1HB ASP 74 7.699 -4.695 -26.557 585 H ASN 75 H ASN 75 5.856 -5.091 -25.909 586 HA ASN 75 HA ASN 75 5.062 -6.992 -23.800 587 1HB ASN 75 2HB ASN 75 3.307 -5.624 -25.846 588 2HB ASN 75 1HB ASN 75 2.762 -6.852 -24.705 589 1HD2 ASN 75 1HD2 ASN 75 2.109 -3.947 -25.126 590 2HD2 ASN 75 2HD2 ASN 75 2.279 -3.238 -23.560 591 H GLU 76 H GLU 76 6.571 -6.818 -26.691 592 HA GLU 76 HA GLU 76 5.302 -9.081 -27.975 593 1HB GLU 76 2HB GLU 76 7.707 -7.397 -28.666 594 2HB GLU 76 1HB GLU 76 7.237 -8.808 -29.605 595 1HG GLU 76 2HG GLU 76 6.281 -7.055 -30.766 596 2HG GLU 76 1HG GLU 76 4.945 -7.658 -29.787 597 H GLY 77 H GLY 77 5.896 -10.088 -25.660 598 1HA GLY 77 2HA GLY 77 6.872 -12.076 -24.924 599 2HA GLY 77 1HA GLY 77 8.021 -11.975 -26.249 600 H ASN 78 H ASN 78 7.692 -9.103 -24.421 601 HA ASN 78 HA ASN 78 10.393 -9.356 -23.458 602 1HB ASN 78 2HB ASN 78 8.354 -7.204 -23.599 603 2HB ASN 78 1HB ASN 78 9.556 -7.066 -22.321 604 1HD2 ASN 78 1HD2 ASN 78 9.923 -8.424 -25.553 605 2HD2 ASN 78 2HD2 ASN 78 11.111 -7.290 -26.089 606 H GLU 79 H GLU 79 11.013 -10.078 -21.532 607 HA GLU 79 HA GLU 79 8.959 -10.575 -19.500 608 1HB GLU 79 2HB GLU 79 10.532 -12.143 -18.515 609 2HB GLU 79 1HB GLU 79 10.332 -12.491 -20.227 610 1HG GLU 79 2HG GLU 79 12.437 -11.266 -20.674 611 2HG GLU 79 1HG GLU 79 12.648 -11.070 -18.934 612 H VAL 80 H VAL 80 9.517 -10.209 -17.230 613 HA VAL 80 HA VAL 80 11.268 -7.857 -16.909 614 HB VAL 80 HB VAL 80 8.856 -8.521 -15.219 615 1HG1 VAL 80 1HG1 VAL 80 9.343 -6.720 -13.969 616 2HG1 VAL 80 2HG1 VAL 80 9.875 -5.773 -15.359 617 3HG1 VAL 80 3HG1 VAL 80 10.974 -6.932 -14.609 618 1HG2 VAL 80 1HG2 VAL 80 7.897 -6.475 -16.437 619 2HG2 VAL 80 2HG2 VAL 80 7.919 -8.015 -17.298 620 3HG2 VAL 80 3HG2 VAL 80 9.137 -6.790 -17.652 621 H VAL 81 H VAL 81 12.818 -7.920 -15.384 622 HA VAL 81 HA VAL 81 13.210 -10.428 -13.961 623 HB VAL 81 HB VAL 81 15.412 -9.470 -13.336 624 1HG1 VAL 81 1HG1 VAL 81 16.411 -9.713 -15.478 625 2HG1 VAL 81 2HG1 VAL 81 14.925 -9.229 -16.296 626 3HG1 VAL 81 3HG1 VAL 81 15.000 -10.772 -15.447 627 1HG2 VAL 81 1HG2 VAL 81 14.910 -7.210 -15.224 628 2HG2 VAL 81 2HG2 VAL 81 16.126 -7.362 -13.956 629 3HG2 VAL 81 3HG2 VAL 81 14.440 -7.065 -13.531 630 HA PRO 82 HA PRO 82 11.947 -9.311 -9.900 631 1HB PRO 82 2HB PRO 82 14.744 -9.801 -8.990 632 2HB PRO 82 1HB PRO 82 13.228 -10.465 -8.373 633 1HG PRO 82 2HG PRO 82 14.841 -11.949 -9.879 634 2HG PRO 82 1HG PRO 82 13.080 -12.049 -10.062 635 1HD PRO 82 2HD PRO 82 15.096 -10.705 -11.804 636 2HD PRO 82 1HD PRO 82 13.598 -11.548 -12.251 637 H LYS 83 H LYS 83 11.729 -7.432 -8.828 638 HA LYS 83 HA LYS 83 13.773 -5.682 -8.093 639 1HB LYS 83 2HB LYS 83 12.820 -5.357 -10.838 640 2HB LYS 83 1HB LYS 83 12.684 -3.884 -9.889 641 1HG LYS 83 2HG LYS 83 15.247 -5.302 -9.644 642 2HG LYS 83 1HG LYS 83 14.897 -4.627 -11.236 643 1HD LYS 83 2HD LYS 83 15.087 -2.496 -10.515 644 2HD LYS 83 1HD LYS 83 14.330 -2.847 -8.960 645 1HE LYS 83 2HE LYS 83 16.544 -2.294 -8.431 646 2HE LYS 83 1HE LYS 83 16.497 -4.055 -8.370 647 1HZ LYS 83 1HZ LYS 83 17.246 -2.779 -10.897 648 2HZ LYS 83 2HZ LYS 83 17.763 -4.247 -10.236 649 3HZ LYS 83 3HZ LYS 83 18.385 -2.788 -9.644 650 HA PRO 84 HA PRO 84 9.574 -3.370 -7.540 651 1HB PRO 84 2HB PRO 84 7.355 -4.490 -8.644 652 2HB PRO 84 1HB PRO 84 8.361 -3.307 -9.485 653 1HG PRO 84 2HG PRO 84 8.337 -6.289 -9.730 654 2HG PRO 84 1HG PRO 84 8.447 -5.062 -11.006 655 1HD PRO 84 2HD PRO 84 10.610 -6.401 -10.096 656 2HD PRO 84 1HD PRO 84 10.701 -4.719 -10.657 657 H GLN 85 H GLN 85 8.558 -3.611 -5.634 658 HA GLN 85 HA GLN 85 8.261 -6.333 -4.587 659 1HB GLN 85 2HB GLN 85 8.277 -3.670 -3.153 660 2HB GLN 85 1HB GLN 85 8.133 -5.239 -2.373 661 1HG GLN 85 2HG GLN 85 10.352 -5.846 -3.277 662 2HG GLN 85 1HG GLN 85 10.494 -4.215 -3.930 663 1HE2 GLN 85 1HE2 GLN 85 11.140 -2.598 -2.632 664 2HE2 GLN 85 2HE2 GLN 85 11.501 -2.773 -0.951 665 H ARG 86 H ARG 86 6.351 -7.002 -3.542 666 HA ARG 86 HA ARG 86 3.967 -5.447 -4.305 667 1HB ARG 86 2HB ARG 86 4.293 -8.437 -4.008 668 2HB ARG 86 1HB ARG 86 2.764 -7.626 -4.322 669 1HG ARG 86 2HG ARG 86 3.705 -6.744 -6.428 670 2HG ARG 86 1HG ARG 86 5.178 -7.668 -6.121 671 1HD ARG 86 2HD ARG 86 3.754 -9.729 -6.034 672 2HD ARG 86 1HD ARG 86 2.399 -8.741 -6.578 673 HE ARG 86 HE ARG 86 3.281 -8.749 -8.693 674 1HH1 ARG 86 1HH1 ARG 86 5.709 -9.860 -6.444 675 2HH1 ARG 86 2HH1 ARG 86 6.816 -10.345 -7.686 676 1HH2 ARG 86 1HH2 ARG 86 4.735 -9.386 -10.326 677 2HH2 ARG 86 2HH2 ARG 86 6.263 -10.076 -9.889 678 H HIS 87 H HIS 87 2.507 -4.926 -2.781 679 HA HIS 87 HA HIS 87 2.979 -5.937 -0.053 680 1HB HIS 87 2HB HIS 87 2.195 -3.220 -1.061 681 2HB HIS 87 1HB HIS 87 1.765 -3.718 0.571 682 HD1 HIS 87 HD1 HIS 87 3.449 -3.162 2.290 683 HD2 HIS 87 HD2 HIS 87 5.149 -3.494 -1.487 684 HE1 HIS 87 HE1 HIS 87 5.870 -2.551 2.588 685 HE2 HIS 87 HE2 HIS 87 6.898 -2.843 0.306 686 H MET 88 H MET 88 1.447 -7.293 0.588 687 HA MET 88 HA MET 88 -1.241 -7.052 -0.564 688 1HB MET 88 2HB MET 88 0.105 -9.329 0.899 689 2HB MET 88 1HB MET 88 -1.572 -9.353 0.370 690 1HG MET 88 2HG MET 88 -0.787 -9.036 -1.959 691 2HG MET 88 1HG MET 88 0.871 -9.173 -1.375 692 1HE MET 88 1HE MET 88 1.556 -10.975 0.182 693 2HE MET 88 2HE MET 88 1.381 -12.660 -0.309 694 3HE MET 88 3HE MET 88 0.277 -11.969 0.880 695 H PHE 89 H PHE 89 -2.637 -5.917 0.600 696 HA PHE 89 HA PHE 89 -2.376 -5.895 3.522 697 1HB PHE 89 2HB PHE 89 -3.704 -4.015 1.579 698 2HB PHE 89 1HB PHE 89 -4.013 -3.938 3.312 699 HD1 PHE 89 HD1 PHE 89 -1.949 -3.719 4.839 700 HD2 PHE 89 HD2 PHE 89 -1.926 -2.857 0.673 701 HE1 PHE 89 HE1 PHE 89 0.062 -2.329 5.140 702 HE2 PHE 89 HE2 PHE 89 0.085 -1.470 0.964 703 HZ PHE 89 HZ PHE 89 1.082 -1.205 3.201 704 H SER 90 H SER 90 -4.046 -6.441 4.866 705 HA SER 90 HA SER 90 -6.353 -7.751 3.579 706 1HB SER 90 2HB SER 90 -4.500 -8.875 5.305 707 2HB SER 90 1HB SER 90 -5.863 -8.507 6.361 708 HG SER 90 HG SER 90 -6.857 -10.139 5.518 709 H PHE 91 H PHE 91 -8.295 -6.890 3.953 710 HA PHE 91 HA PHE 91 -8.520 -4.876 6.068 711 1HB PHE 91 2HB PHE 91 -9.896 -5.289 3.444 712 2HB PHE 91 1HB PHE 91 -10.701 -4.369 4.712 713 HD1 PHE 91 HD1 PHE 91 -10.064 -2.174 5.224 714 HD2 PHE 91 HD2 PHE 91 -7.709 -4.520 2.573 715 HE1 PHE 91 HE1 PHE 91 -8.778 -0.165 4.590 716 HE2 PHE 91 HE2 PHE 91 -6.422 -2.530 1.932 717 HZ PHE 91 HZ PHE 91 -6.954 -0.343 2.942 718 H ASN 92 H ASN 92 -10.037 -4.958 7.621 719 HA ASN 92 HA ASN 92 -11.513 -7.476 7.876 720 1HB ASN 92 2HB ASN 92 -10.802 -5.349 9.908 721 2HB ASN 92 1HB ASN 92 -11.814 -6.747 10.261 722 1HD2 ASN 92 1HD2 ASN 92 -10.613 -8.797 9.087 723 2HD2 ASN 92 2HD2 ASN 92 -9.015 -9.028 9.699 724 H ASN 93 H ASN 93 -12.108 -4.702 6.431 725 HA ASN 93 HA ASN 93 -14.936 -4.845 6.964 726 1HB ASN 93 2HB ASN 93 -13.633 -3.070 8.492 727 2HB ASN 93 1HB ASN 93 -13.881 -2.078 7.059 728 1HD2 ASN 93 1HD2 ASN 93 -15.642 -0.906 7.111 729 2HD2 ASN 93 2HD2 ASN 93 -17.115 -1.303 7.923 730 H ARG 94 H ARG 94 -16.013 -4.700 5.121 731 HA ARG 94 HA ARG 94 -14.750 -4.289 2.653 732 1HB ARG 94 2HB ARG 94 -16.899 -5.546 3.068 733 2HB ARG 94 1HB ARG 94 -17.706 -3.989 3.195 734 1HG ARG 94 2HG ARG 94 -16.103 -4.255 0.777 735 2HG ARG 94 1HG ARG 94 -17.390 -5.456 0.903 736 1HD ARG 94 2HD ARG 94 -17.731 -2.468 1.146 737 2HD ARG 94 1HD ARG 94 -18.144 -3.441 -0.265 738 HE ARG 94 HE ARG 94 -19.454 -4.360 2.098 739 1HH1 ARG 94 1HH1 ARG 94 -19.588 -1.955 -0.427 740 2HH1 ARG 94 2HH1 ARG 94 -21.299 -1.726 -0.291 741 1HH2 ARG 94 1HH2 ARG 94 -21.705 -4.061 2.278 742 2HH2 ARG 94 2HH2 ARG 94 -22.501 -2.922 1.245 743 H THR 95 H THR 95 -16.724 -2.113 4.647 744 HA THR 95 HA THR 95 -16.814 0.013 2.845 745 HB THR 95 HB THR 95 -16.784 0.588 5.736 746 HG1 THR 95 HG1 THR 95 -18.736 -0.505 6.063 747 1HG2 THR 95 1HG2 THR 95 -18.906 1.023 3.670 748 2HG2 THR 95 2HG2 THR 95 -17.638 2.184 4.058 749 3HG2 THR 95 3HG2 THR 95 -18.828 1.734 5.280 750 H VAL 96 H VAL 96 -14.588 -0.811 5.421 751 HA VAL 96 HA VAL 96 -13.020 1.540 5.205 752 HB VAL 96 HB VAL 96 -12.260 -1.131 6.387 753 1HG1 VAL 96 1HG1 VAL 96 -10.265 0.099 5.984 754 2HG1 VAL 96 2HG1 VAL 96 -10.633 0.267 7.701 755 3HG1 VAL 96 3HG1 VAL 96 -10.986 1.590 6.590 756 1HG2 VAL 96 1HG2 VAL 96 -12.873 1.105 8.177 757 2HG2 VAL 96 2HG2 VAL 96 -13.346 -0.591 8.275 758 3HG2 VAL 96 3HG2 VAL 96 -14.251 0.519 7.246 759 H MET 97 H MET 97 -12.965 -1.585 3.691 760 HA MET 97 HA MET 97 -10.375 -1.238 2.503 761 1HB MET 97 2HB MET 97 -10.576 -3.381 1.754 762 2HB MET 97 1HB MET 97 -11.771 -3.435 3.038 763 1HG MET 97 2HG MET 97 -13.049 -4.336 1.432 764 2HG MET 97 1HG MET 97 -13.331 -2.654 0.998 765 1HE MET 97 1HE MET 97 -11.694 -6.058 -0.074 766 2HE MET 97 2HE MET 97 -12.046 -5.777 -1.779 767 3HE MET 97 3HE MET 97 -13.331 -5.637 -0.579 768 H ASP 98 H ASP 98 -13.683 -0.589 1.592 769 HA ASP 98 HA ASP 98 -13.030 -0.048 -1.149 770 1HB ASP 98 2HB ASP 98 -15.553 0.393 0.447 771 2HB ASP 98 1HB ASP 98 -15.407 0.748 -1.272 772 H ASN 99 H ASN 99 -13.262 1.712 1.808 773 HA ASN 99 HA ASN 99 -13.474 4.298 0.636 774 1HB ASN 99 2HB ASN 99 -12.755 3.365 3.409 775 2HB ASN 99 1HB ASN 99 -12.806 5.068 2.965 776 1HD2 ASN 99 1HD2 ASN 99 -14.393 4.038 4.960 777 2HD2 ASN 99 2HD2 ASN 99 -16.045 4.086 4.458 778 H ILE 100 H ILE 100 -10.882 2.193 1.546 779 HA ILE 100 HA ILE 100 -8.843 4.229 1.231 780 HB ILE 100 HB ILE 100 -8.589 1.253 1.687 781 1HG1 ILE 100 2HG1 ILE 100 -9.651 2.611 3.527 782 2HG1 ILE 100 1HG1 ILE 100 -8.175 1.771 3.986 783 1HG2 ILE 100 1HG2 ILE 100 -6.253 1.718 2.248 784 2HG2 ILE 100 2HG2 ILE 100 -6.485 3.410 1.803 785 3HG2 ILE 100 3HG2 ILE 100 -6.621 2.148 0.577 786 1HD1 ILE 100 1HD1 ILE 100 -6.954 3.725 4.122 787 2HD1 ILE 100 2HD1 ILE 100 -8.535 4.210 4.737 788 3HD1 ILE 100 3HD1 ILE 100 -8.069 4.615 3.084 789 H LYS 101 H LYS 101 -10.000 1.368 -0.489 790 HA LYS 101 HA LYS 101 -8.102 1.132 -2.466 791 1HB LYS 101 2HB LYS 101 -10.061 -0.385 -2.066 792 2HB LYS 101 1HB LYS 101 -11.072 0.792 -2.892 793 1HG LYS 101 2HG LYS 101 -9.340 0.511 -4.819 794 2HG LYS 101 1HG LYS 101 -8.970 -1.008 -3.999 795 1HD LYS 101 2HD LYS 101 -11.695 -0.138 -4.961 796 2HD LYS 101 1HD LYS 101 -10.652 -1.319 -5.754 797 1HE LYS 101 2HE LYS 101 -11.498 -2.925 -4.477 798 2HE LYS 101 1HE LYS 101 -10.923 -2.086 -3.036 799 1HZ LYS 101 1HZ LYS 101 -13.115 -2.058 -2.576 800 2HZ LYS 101 2HZ LYS 101 -13.589 -2.170 -4.196 801 3HZ LYS 101 3HZ LYS 101 -13.105 -0.679 -3.557 802 H MET 102 H MET 102 -10.904 3.305 -2.396 803 HA MET 102 HA MET 102 -10.509 4.326 -5.004 804 1HB MET 102 2HB MET 102 -11.998 5.452 -2.638 805 2HB MET 102 1HB MET 102 -12.033 6.167 -4.243 806 1HG MET 102 2HG MET 102 -12.961 4.052 -5.121 807 2HG MET 102 1HG MET 102 -13.019 3.432 -3.472 808 1HE MET 102 1HE MET 102 -15.629 3.459 -5.305 809 2HE MET 102 2HE MET 102 -16.795 4.023 -4.107 810 3HE MET 102 3HE MET 102 -15.537 2.879 -3.642 811 H THR 103 H THR 103 -9.606 5.539 -1.823 812 HA THR 103 HA THR 103 -8.479 7.944 -2.618 813 HB THR 103 HB THR 103 -7.268 6.463 -0.359 814 HG1 THR 103 HG1 THR 103 -9.983 7.260 -0.342 815 1HG2 THR 103 1HG2 THR 103 -6.913 8.881 -0.713 816 2HG2 THR 103 2HG2 THR 103 -7.637 8.486 0.846 817 3HG2 THR 103 3HG2 THR 103 -8.640 9.120 -0.458 818 H LEU 104 H LEU 104 -7.043 4.726 -2.255 819 HA LEU 104 HA LEU 104 -4.392 5.500 -2.824 820 1HB LEU 104 2HB LEU 104 -5.756 2.834 -3.222 821 2HB LEU 104 1HB LEU 104 -4.025 3.094 -3.308 822 HG LEU 104 HG LEU 104 -5.688 3.592 -0.839 823 1HD1 LEU 104 1HD1 LEU 104 -4.749 1.524 0.021 824 2HD1 LEU 104 2HD1 LEU 104 -3.917 1.246 -1.509 825 3HD1 LEU 104 3HD1 LEU 104 -5.679 1.218 -1.446 826 1HD2 LEU 104 1HD2 LEU 104 -3.263 4.636 -1.447 827 2HD2 LEU 104 2HD2 LEU 104 -2.792 3.129 -0.665 828 3HD2 LEU 104 3HD2 LEU 104 -3.813 4.284 0.190 829 H GLN 105 H GLN 105 -7.089 4.513 -4.867 830 HA GLN 105 HA GLN 105 -5.591 4.305 -7.262 831 1HB GLN 105 2HB GLN 105 -8.524 4.668 -6.696 832 2HB GLN 105 1HB GLN 105 -7.901 4.626 -8.339 833 1HG GLN 105 2HG GLN 105 -6.984 2.395 -7.928 834 2HG GLN 105 1HG GLN 105 -7.632 2.438 -6.290 835 1HE2 GLN 105 1HE2 GLN 105 -8.154 0.728 -8.713 836 2HE2 GLN 105 2HE2 GLN 105 -9.872 0.745 -8.888 837 H GLN 106 H GLN 106 -7.159 6.942 -5.620 838 HA GLN 106 HA GLN 106 -7.065 8.792 -7.758 839 1HB GLN 106 2HB GLN 106 -7.214 9.176 -4.766 840 2HB GLN 106 1HB GLN 106 -7.267 10.513 -5.906 841 1HG GLN 106 2HG GLN 106 -9.223 8.227 -5.806 842 2HG GLN 106 1HG GLN 106 -9.494 9.842 -5.152 843 1HE2 GLN 106 1HE2 GLN 106 -10.180 7.908 -7.668 844 2HE2 GLN 106 2HE2 GLN 106 -10.441 9.089 -8.902 845 H ILE 107 H ILE 107 -4.831 7.975 -5.151 846 HA ILE 107 HA ILE 107 -2.969 10.028 -5.562 847 HB ILE 107 HB ILE 107 -2.514 7.201 -4.597 848 1HG1 ILE 107 2HG1 ILE 107 -2.695 9.732 -2.965 849 2HG1 ILE 107 1HG1 ILE 107 -4.102 8.736 -3.318 850 1HG2 ILE 107 1HG2 ILE 107 -0.340 7.614 -4.527 851 2HG2 ILE 107 2HG2 ILE 107 -0.618 9.063 -3.563 852 3HG2 ILE 107 3HG2 ILE 107 -0.619 9.161 -5.323 853 1HD1 ILE 107 1HD1 ILE 107 -2.109 7.014 -2.327 854 2HD1 ILE 107 2HD1 ILE 107 -3.622 7.495 -1.560 855 3HD1 ILE 107 3HD1 ILE 107 -2.152 8.428 -1.273 856 H ILE 108 H ILE 108 -3.297 6.832 -7.016 857 HA ILE 108 HA ILE 108 -1.003 6.699 -8.565 858 HB ILE 108 HB ILE 108 -3.676 5.841 -9.628 859 1HG1 ILE 108 2HG1 ILE 108 -3.812 4.990 -7.456 860 2HG1 ILE 108 1HG1 ILE 108 -3.176 3.648 -8.395 861 1HG2 ILE 108 1HG2 ILE 108 -0.842 5.016 -10.026 862 2HG2 ILE 108 2HG2 ILE 108 -2.092 5.384 -11.215 863 3HG2 ILE 108 3HG2 ILE 108 -2.145 3.865 -10.320 864 1HD1 ILE 108 1HD1 ILE 108 -1.559 3.485 -6.897 865 2HD1 ILE 108 2HD1 ILE 108 -2.053 4.991 -6.122 866 3HD1 ILE 108 3HD1 ILE 108 -0.937 5.027 -7.486 867 H SER 109 H SER 109 -4.149 7.953 -9.416 868 HA SER 109 HA SER 109 -3.603 8.871 -11.977 869 1HB SER 109 2HB SER 109 -5.504 10.127 -9.990 870 2HB SER 109 1HB SER 109 -5.561 10.308 -11.743 871 HG SER 109 HG SER 109 -5.874 8.000 -11.833 872 H ARG 110 H ARG 110 -2.878 10.315 -8.905 873 HA ARG 110 HA ARG 110 -2.255 12.896 -9.908 874 1HB ARG 110 2HB ARG 110 -1.496 11.547 -7.319 875 2HB ARG 110 1HB ARG 110 -1.173 13.235 -7.683 876 1HG ARG 110 2HG ARG 110 -3.619 13.580 -7.965 877 2HG ARG 110 1HG ARG 110 -3.865 11.920 -7.415 878 1HD ARG 110 2HD ARG 110 -2.628 12.522 -5.324 879 2HD ARG 110 1HD ARG 110 -2.638 14.198 -5.871 880 HE ARG 110 HE ARG 110 -5.244 12.986 -5.787 881 1HH1 ARG 110 1HH1 ARG 110 -2.822 14.702 -3.951 882 2HH1 ARG 110 2HH1 ARG 110 -3.956 15.325 -2.801 883 1HH2 ARG 110 1HH2 ARG 110 -6.738 13.806 -4.275 884 2HH2 ARG 110 2HH2 ARG 110 -6.178 14.817 -2.984 885 H TYR 111 H TYR 111 -0.473 9.955 -9.422 886 HA TYR 111 HA TYR 111 2.111 11.113 -9.795 887 1HB TYR 111 2HB TYR 111 1.033 8.333 -9.634 888 2HB TYR 111 1HB TYR 111 2.644 8.576 -10.299 889 HD1 TYR 111 HD1 TYR 111 4.410 9.630 -8.878 890 HD2 TYR 111 HD2 TYR 111 0.631 8.477 -7.300 891 HE1 TYR 111 HE1 TYR 111 5.340 9.722 -6.604 892 HE2 TYR 111 HE2 TYR 111 1.550 8.568 -5.021 893 HH TYR 111 HH TYR 111 3.549 9.866 -3.890 894 H LYS 112 H LYS 112 -0.313 9.729 -11.852 895 HA LYS 112 HA LYS 112 1.328 9.491 -14.165 896 1HB LYS 112 2HB LYS 112 -1.657 9.463 -13.753 897 2HB LYS 112 1HB LYS 112 -0.922 9.295 -15.341 898 1HG LYS 112 2HG LYS 112 -0.308 7.171 -14.976 899 2HG LYS 112 1HG LYS 112 0.151 7.483 -13.301 900 1HD LYS 112 2HD LYS 112 -1.702 5.991 -13.251 901 2HD LYS 112 1HD LYS 112 -2.302 7.574 -12.754 902 1HE LYS 112 2HE LYS 112 -3.740 6.286 -14.394 903 2HE LYS 112 1HE LYS 112 -3.342 7.947 -14.834 904 1HZ LYS 112 1HZ LYS 112 -1.848 7.247 -16.444 905 2HZ LYS 112 2HZ LYS 112 -3.116 6.138 -16.605 906 3HZ LYS 112 3HZ LYS 112 -1.701 5.690 -15.796 907 H ASP 113 H ASP 113 -0.780 11.965 -12.841 908 HA ASP 113 HA ASP 113 -0.972 13.621 -15.094 909 1HB ASP 113 2HB ASP 113 -2.334 13.847 -13.010 910 2HB ASP 113 1HB ASP 113 -0.913 14.499 -12.200 911 H ALA 114 H ALA 114 1.470 13.411 -12.557 912 HA ALA 114 HA ALA 114 2.938 15.706 -13.239 913 1HB ALA 114 1HB ALA 114 4.520 14.984 -11.732 914 2HB ALA 114 2HB ALA 114 4.308 13.285 -12.159 915 3HB ALA 114 3HB ALA 114 3.094 14.107 -11.177 916 H ASP 115 H ASP 115 2.960 12.441 -14.519 917 HA ASP 115 HA ASP 115 4.845 13.337 -16.594 918 1HB ASP 115 2HB ASP 115 4.799 10.657 -15.197 919 2HB ASP 115 1HB ASP 115 5.742 11.000 -16.643 Start of MODEL 3 1 HT1 PRO 1 HT2 PRO 1 -14.715 9.764 8.343 2 HT2 PRO 1 HT1 PRO 1 -15.043 9.282 6.739 3 HA PRO 1 HA PRO 1 -12.956 8.568 8.412 4 1HB PRO 1 2HB PRO 1 -13.592 6.007 7.531 5 2HB PRO 1 1HB PRO 1 -13.731 6.597 9.192 6 1HG PRO 1 2HG PRO 1 -15.832 6.317 7.099 7 2HG PRO 1 1HG PRO 1 -15.961 6.119 8.855 8 1HD PRO 1 2HD PRO 1 -16.894 8.314 7.557 9 2HD PRO 1 1HD PRO 1 -16.260 8.385 9.213 10 H SER 2 H SER 2 -12.283 9.937 6.559 11 HA SER 2 HA SER 2 -11.830 8.309 4.144 12 1HB SER 2 2HB SER 2 -12.152 11.316 4.308 13 2HB SER 2 1HB SER 2 -11.817 10.397 2.840 14 HG SER 2 HG SER 2 -13.927 10.390 2.720 15 H HIS 3 H HIS 3 -9.808 8.473 3.131 16 HA HIS 3 HA HIS 3 -7.541 8.621 3.047 17 1HB HIS 3 2HB HIS 3 -8.266 11.176 4.446 18 2HB HIS 3 1HB HIS 3 -6.575 10.736 4.229 19 HD1 HIS 3 HD1 HIS 3 -9.565 11.951 2.385 20 HD2 HIS 3 HD2 HIS 3 -5.665 10.781 1.553 21 HE1 HIS 3 HE1 HIS 3 -9.122 12.714 0.031 22 HE2 HIS 3 HE2 HIS 3 -6.727 12.073 -0.419 23 H SER 4 H SER 4 -8.883 7.199 5.268 24 HA SER 4 HA SER 4 -6.634 6.370 6.697 25 1HB SER 4 2HB SER 4 -7.232 7.263 8.969 26 2HB SER 4 1HB SER 4 -6.655 8.490 7.841 27 HG SER 4 HG SER 4 -8.900 8.512 9.179 28 H GLY 5 H GLY 5 -7.094 4.345 7.170 29 1HA GLY 5 2HA GLY 5 -9.554 3.626 8.503 30 2HA GLY 5 1HA GLY 5 -9.427 3.015 6.859 31 H ALA 6 H ALA 6 -9.557 1.462 9.299 32 HA ALA 6 HA ALA 6 -6.991 0.536 10.021 33 1HB ALA 6 1HB ALA 6 -8.883 0.188 11.481 34 2HB ALA 6 2HB ALA 6 -8.154 -1.358 11.044 35 3HB ALA 6 3HB ALA 6 -9.654 -0.842 10.272 36 H ALA 7 H ALA 7 -5.751 -1.086 9.282 37 HA ALA 7 HA ALA 7 -6.731 -2.917 7.275 38 1HB ALA 7 1HB ALA 7 -4.958 -2.342 5.648 39 2HB ALA 7 2HB ALA 7 -4.545 -0.947 6.646 40 3HB ALA 7 3HB ALA 7 -6.133 -1.048 5.884 41 H ILE 8 H ILE 8 -5.440 -4.767 6.989 42 HA ILE 8 HA ILE 8 -3.496 -5.198 9.133 43 HB ILE 8 HB ILE 8 -4.616 -7.222 7.204 44 1HG1 ILE 8 2HG1 ILE 8 -5.546 -6.795 10.033 45 2HG1 ILE 8 1HG1 ILE 8 -6.334 -6.028 8.653 46 1HG2 ILE 8 1HG2 ILE 8 -2.446 -7.606 8.608 47 2HG2 ILE 8 2HG2 ILE 8 -3.665 -8.873 8.486 48 3HG2 ILE 8 3HG2 ILE 8 -3.587 -7.861 9.928 49 1HD1 ILE 8 1HD1 ILE 8 -5.871 -8.962 8.632 50 2HD1 ILE 8 2HD1 ILE 8 -7.123 -8.005 7.833 51 3HD1 ILE 8 3HD1 ILE 8 -7.208 -8.293 9.573 52 H PHE 9 H PHE 9 -1.423 -5.832 8.795 53 HA PHE 9 HA PHE 9 -0.467 -6.252 6.082 54 1HB PHE 9 2HB PHE 9 -0.206 -3.838 6.396 55 2HB PHE 9 1HB PHE 9 0.682 -4.114 7.887 56 HD1 PHE 9 HD1 PHE 9 0.850 -5.425 4.397 57 HD2 PHE 9 HD2 PHE 9 2.923 -3.726 7.698 58 HE1 PHE 9 HE1 PHE 9 2.951 -5.520 3.119 59 HE2 PHE 9 HE2 PHE 9 5.029 -3.816 6.430 60 HZ PHE 9 HZ PHE 9 5.046 -4.714 4.136 61 H GLU 10 H GLU 10 0.343 -8.218 6.331 62 HA GLU 10 HA GLU 10 1.843 -9.828 6.904 63 1HB GLU 10 2HB GLU 10 2.904 -7.943 9.004 64 2HB GLU 10 1HB GLU 10 3.694 -9.375 8.368 65 1HG GLU 10 2HG GLU 10 3.805 -8.285 6.154 66 2HG GLU 10 1HG GLU 10 3.114 -6.831 6.872 67 H LYS 11 H LYS 11 -0.668 -10.066 7.802 68 HA LYS 11 HA LYS 11 -1.966 -11.175 9.262 69 1HB LYS 11 2HB LYS 11 0.775 -12.062 9.955 70 2HB LYS 11 1HB LYS 11 -0.551 -12.548 11.004 71 1HG LYS 11 2HG LYS 11 -1.579 -13.786 9.324 72 2HG LYS 11 1HG LYS 11 -0.693 -12.948 8.045 73 1HD LYS 11 2HD LYS 11 0.234 -15.140 8.252 74 2HD LYS 11 1HD LYS 11 1.401 -14.003 8.928 75 1HE LYS 11 2HE LYS 11 1.416 -15.564 10.585 76 2HE LYS 11 1HE LYS 11 0.089 -14.556 11.160 77 1HZ LYS 11 1HZ LYS 11 -0.048 -17.177 9.806 78 2HZ LYS 11 2HZ LYS 11 -1.382 -16.140 9.832 79 3HZ LYS 11 3HZ LYS 11 -0.729 -16.712 11.284 80 H VAL 12 H VAL 12 -0.661 -8.424 10.019 81 HA VAL 12 HA VAL 12 -1.643 -8.490 12.765 82 HB VAL 12 HB VAL 12 0.659 -6.837 11.729 83 1HG1 VAL 12 1HG1 VAL 12 0.851 -5.925 13.958 84 2HG1 VAL 12 2HG1 VAL 12 -0.513 -6.898 14.506 85 3HG1 VAL 12 3HG1 VAL 12 -0.766 -5.608 13.332 86 1HG2 VAL 12 1HG2 VAL 12 0.997 -9.316 12.293 87 2HG2 VAL 12 2HG2 VAL 12 0.764 -8.823 13.970 88 3HG2 VAL 12 3HG2 VAL 12 2.090 -8.143 13.027 89 H SER 13 H SER 13 -3.050 -6.846 13.319 90 HA SER 13 HA SER 13 -3.933 -5.205 11.054 91 1HB SER 13 2HB SER 13 -5.462 -5.610 13.621 92 2HB SER 13 1HB SER 13 -6.079 -5.128 12.041 93 HG SER 13 HG SER 13 -5.246 -7.666 12.927 94 H GLY 14 H GLY 14 -4.301 -3.048 11.206 95 1HA GLY 14 2HA GLY 14 -3.886 -1.544 13.602 96 2HA GLY 14 1HA GLY 14 -2.505 -1.451 12.514 97 H ILE 15 H ILE 15 -3.495 0.903 12.879 98 HA ILE 15 HA ILE 15 -5.621 1.416 10.958 99 HB ILE 15 HB ILE 15 -4.217 3.240 12.903 100 1HG1 ILE 15 2HG1 ILE 15 -6.372 1.401 13.131 101 2HG1 ILE 15 1HG1 ILE 15 -5.761 2.514 14.353 102 1HG2 ILE 15 1HG2 ILE 15 -5.952 4.910 12.264 103 2HG2 ILE 15 2HG2 ILE 15 -6.406 3.859 10.923 104 3HG2 ILE 15 3HG2 ILE 15 -4.789 4.563 10.984 105 1HD1 ILE 15 1HD1 ILE 15 -7.967 3.005 12.371 106 2HD1 ILE 15 2HD1 ILE 15 -7.283 4.252 13.414 107 3HD1 ILE 15 3HD1 ILE 15 -8.102 2.861 14.123 108 H ILE 16 H ILE 16 -5.309 2.103 8.983 109 HA ILE 16 HA ILE 16 -2.592 2.802 8.141 110 HB ILE 16 HB ILE 16 -4.824 1.333 6.946 111 1HG1 ILE 16 2HG1 ILE 16 -1.853 1.529 6.445 112 2HG1 ILE 16 1HG1 ILE 16 -2.726 0.270 7.305 113 1HG2 ILE 16 1HG2 ILE 16 -5.182 3.235 5.552 114 2HG2 ILE 16 2HG2 ILE 16 -4.288 2.058 4.594 115 3HG2 ILE 16 3HG2 ILE 16 -3.453 3.447 5.285 116 1HD1 ILE 16 1HD1 ILE 16 -3.772 0.423 4.675 117 2HD1 ILE 16 2HD1 ILE 16 -2.896 -0.900 5.445 118 3HD1 ILE 16 3HD1 ILE 16 -2.012 0.359 4.579 119 H ALA 17 H ALA 17 -2.139 4.878 7.850 120 HA ALA 17 HA ALA 17 -4.334 6.731 7.194 121 1HB ALA 17 1HB ALA 17 -3.386 7.222 9.360 122 2HB ALA 17 2HB ALA 17 -2.937 8.494 8.224 123 3HB ALA 17 3HB ALA 17 -1.761 7.261 8.676 124 H ILE 18 H ILE 18 -4.062 8.210 5.539 125 HA ILE 18 HA ILE 18 -1.854 7.610 3.713 126 HB ILE 18 HB ILE 18 -4.654 8.442 3.372 127 1HG1 ILE 18 2HG1 ILE 18 -2.773 7.164 1.391 128 2HG1 ILE 18 1HG1 ILE 18 -3.541 6.256 2.689 129 1HG2 ILE 18 1HG2 ILE 18 -4.124 9.519 1.137 130 2HG2 ILE 18 2HG2 ILE 18 -2.481 9.726 1.747 131 3HG2 ILE 18 3HG2 ILE 18 -3.833 10.492 2.580 132 1HD1 ILE 18 1HD1 ILE 18 -5.084 5.866 1.106 133 2HD1 ILE 18 2HD1 ILE 18 -4.669 7.316 0.190 134 3HD1 ILE 18 3HD1 ILE 18 -5.698 7.439 1.618 135 H ASN 19 H ASN 19 -0.151 8.905 3.826 136 HA ASN 19 HA ASN 19 -0.528 11.694 4.667 137 1HB ASN 19 2HB ASN 19 1.947 9.957 4.614 138 2HB ASN 19 1HB ASN 19 1.942 11.660 5.059 139 1HD2 ASN 19 1HD2 ASN 19 2.889 9.812 6.801 140 2HD2 ASN 19 2HD2 ASN 19 1.808 9.647 8.139 141 H GLU 20 H GLU 20 -0.783 13.026 3.012 142 HA GLU 20 HA GLU 20 0.822 12.590 0.586 143 1HB GLU 20 2HB GLU 20 -1.760 14.120 0.946 144 2HB GLU 20 1HB GLU 20 -0.862 14.006 -0.561 145 1HG GLU 20 2HG GLU 20 -1.183 11.566 -0.537 146 2HG GLU 20 1HG GLU 20 -2.147 11.729 0.930 147 H ASP 21 H ASP 21 0.671 14.463 3.332 148 HA ASP 21 HA ASP 21 1.219 17.044 2.417 149 1HB ASP 21 2HB ASP 21 2.054 15.644 4.959 150 2HB ASP 21 1HB ASP 21 2.278 17.367 4.670 151 H VAL 22 H VAL 22 3.165 14.220 2.383 152 HA VAL 22 HA VAL 22 5.605 15.762 2.086 153 HB VAL 22 HB VAL 22 5.328 13.548 3.459 154 1HG1 VAL 22 1HG1 VAL 22 6.368 12.191 1.055 155 2HG1 VAL 22 2HG1 VAL 22 4.628 12.457 1.139 156 3HG1 VAL 22 3HG1 VAL 22 5.442 11.551 2.413 157 1HG2 VAL 22 1HG2 VAL 22 7.824 13.257 2.053 158 2HG2 VAL 22 2HG2 VAL 22 7.518 13.768 3.712 159 3HG2 VAL 22 3HG2 VAL 22 7.477 14.950 2.404 160 H SER 23 H SER 23 6.982 13.977 0.398 161 HA SER 23 HA SER 23 5.564 13.571 -2.035 162 1HB SER 23 2HB SER 23 6.378 15.302 -3.386 163 2HB SER 23 1HB SER 23 5.952 16.123 -1.885 164 HG SER 23 HG SER 23 7.941 16.786 -1.915 165 HA PRO 24 HA PRO 24 5.554 12.163 -3.415 166 1HB PRO 24 2HB PRO 24 5.641 9.461 -3.489 167 2HB PRO 24 1HB PRO 24 6.430 10.470 -4.708 168 1HG PRO 24 2HG PRO 24 7.617 9.107 -2.322 169 2HG PRO 24 1HG PRO 24 8.244 9.209 -3.978 170 1HD PRO 24 2HD PRO 24 9.138 10.796 -1.968 171 2HD PRO 24 1HD PRO 24 9.087 11.328 -3.661 172 H ALA 25 H ALA 25 3.592 11.454 -2.558 173 HA ALA 25 HA ALA 25 3.245 11.546 0.196 174 1HB ALA 25 1HB ALA 25 1.387 11.971 -1.231 175 2HB ALA 25 2HB ALA 25 0.987 10.545 -0.273 176 3HB ALA 25 3HB ALA 25 1.493 10.365 -1.953 177 H GLU 26 H GLU 26 2.570 9.881 1.704 178 HA GLU 26 HA GLU 26 3.345 7.145 0.998 179 1HB GLU 26 2HB GLU 26 4.412 8.651 3.391 180 2HB GLU 26 1HB GLU 26 4.634 6.930 3.104 181 1HG GLU 26 2HG GLU 26 5.840 7.462 1.024 182 2HG GLU 26 1HG GLU 26 5.671 9.177 1.392 183 H LEU 27 H LEU 27 2.415 5.522 2.292 184 HA LEU 27 HA LEU 27 0.092 6.437 3.851 185 1HB LEU 27 2HB LEU 27 -0.385 5.065 1.848 186 2HB LEU 27 1HB LEU 27 0.570 3.763 2.530 187 HG LEU 27 HG LEU 27 -1.769 4.839 4.057 188 1HD1 LEU 27 1HD1 LEU 27 -3.097 2.987 2.953 189 2HD1 LEU 27 2HD1 LEU 27 -1.848 2.967 1.708 190 3HD1 LEU 27 3HD1 LEU 27 -2.799 4.427 1.979 191 1HD2 LEU 27 1HD2 LEU 27 -1.810 2.324 4.632 192 2HD2 LEU 27 2HD2 LEU 27 -0.548 3.334 5.336 193 3HD2 LEU 27 3HD2 LEU 27 -0.182 2.301 3.953 194 H THR 28 H THR 28 0.322 6.306 5.988 195 HA THR 28 HA THR 28 2.364 4.670 7.164 196 HB THR 28 HB THR 28 0.528 6.118 8.912 197 HG1 THR 28 HG1 THR 28 1.912 7.499 6.871 198 1HG2 THR 28 1HG2 THR 28 2.541 7.104 9.769 199 2HG2 THR 28 2HG2 THR 28 3.457 6.461 8.407 200 3HG2 THR 28 3HG2 THR 28 2.759 5.362 9.597 201 H TRP 29 H TRP 29 2.025 3.066 8.692 202 HA TRP 29 HA TRP 29 -0.710 2.101 9.079 203 1HB TRP 29 2HB TRP 29 0.322 0.702 7.341 204 2HB TRP 29 1HB TRP 29 1.686 0.374 8.410 205 HD1 TRP 29 HD1 TRP 29 -2.135 0.144 8.979 206 HE1 TRP 29 HE1 TRP 29 -2.665 -2.182 9.969 207 HE3 TRP 29 HE3 TRP 29 2.590 -1.799 9.056 208 HZ2 TRP 29 HZ2 TRP 29 -1.259 -4.497 10.685 209 HZ3 TRP 29 HZ3 TRP 29 2.909 -4.086 9.917 210 HH2 TRP 29 HH2 TRP 29 1.011 -5.411 10.711 211 H ARG 30 H ARG 30 -1.051 2.324 11.195 212 HA ARG 30 HA ARG 30 1.169 1.718 13.033 213 1HB ARG 30 2HB ARG 30 0.121 3.961 13.241 214 2HB ARG 30 1HB ARG 30 -1.417 3.190 13.599 215 1HG ARG 30 2HG ARG 30 -0.436 2.185 15.609 216 2HG ARG 30 1HG ARG 30 1.091 2.998 15.255 217 1HD ARG 30 2HD ARG 30 -0.096 5.172 15.376 218 2HD ARG 30 1HD ARG 30 -1.558 4.310 15.853 219 HE ARG 30 HE ARG 30 -0.691 4.061 17.960 220 1HH1 ARG 30 1HH1 ARG 30 1.852 5.071 15.794 221 2HH1 ARG 30 2HH1 ARG 30 2.996 5.344 17.065 222 1HH2 ARG 30 1HH2 ARG 30 0.812 4.421 19.633 223 2HH2 ARG 30 2HH2 ARG 30 2.407 4.974 19.244 224 H SER 31 H SER 31 1.086 -0.109 14.225 225 HA SER 31 HA SER 31 -0.893 -2.037 13.828 226 1HB SER 31 2HB SER 31 1.166 -2.894 14.519 227 2HB SER 31 1HB SER 31 1.324 -1.724 15.830 228 HG SER 31 HG SER 31 -0.264 -4.048 15.704 229 H THR 32 H THR 32 -2.301 -2.998 15.461 230 HA THR 32 HA THR 32 -4.098 -1.163 16.545 231 HB THR 32 HB THR 32 -3.629 -4.083 16.614 232 HG1 THR 32 HG1 THR 32 -5.870 -2.430 16.090 233 1HG2 THR 32 1HG2 THR 32 -5.535 -4.451 18.129 234 2HG2 THR 32 2HG2 THR 32 -5.451 -2.748 18.580 235 3HG2 THR 32 3HG2 THR 32 -4.092 -3.818 18.916 236 H ASP 33 H ASP 33 -1.322 -2.789 17.814 237 HA ASP 33 HA ASP 33 -1.787 -2.231 20.558 238 1HB ASP 33 2HB ASP 33 0.751 -2.943 19.088 239 2HB ASP 33 1HB ASP 33 0.620 -2.840 20.841 240 H GLY 34 H GLY 34 -0.204 -0.547 17.966 241 1HA GLY 34 2HA GLY 34 0.243 1.731 17.829 242 2HA GLY 34 1HA GLY 34 -0.167 1.887 19.531 243 H ASP 35 H ASP 35 2.070 -0.539 18.511 244 HA ASP 35 HA ASP 35 4.252 1.025 19.705 245 1HB ASP 35 2HB ASP 35 3.603 -0.996 20.986 246 2HB ASP 35 1HB ASP 35 3.987 -1.982 19.578 247 H LYS 36 H LYS 36 3.164 -0.596 16.892 248 HA LYS 36 HA LYS 36 5.809 -0.206 15.659 249 1HB LYS 36 2HB LYS 36 4.109 -2.578 15.738 250 2HB LYS 36 1HB LYS 36 4.551 -2.121 14.100 251 1HG LYS 36 2HG LYS 36 6.938 -2.067 14.860 252 2HG LYS 36 1HG LYS 36 6.394 -2.770 16.385 253 1HD LYS 36 2HD LYS 36 5.896 -4.007 13.680 254 2HD LYS 36 1HD LYS 36 7.253 -4.433 14.727 255 1HE LYS 36 2HE LYS 36 5.956 -5.613 16.148 256 2HE LYS 36 1HE LYS 36 4.600 -4.495 16.002 257 1HZ LYS 36 1HZ LYS 36 4.524 -6.918 15.004 258 2HZ LYS 36 2HZ LYS 36 5.240 -6.147 13.679 259 3HZ LYS 36 3HZ LYS 36 3.737 -5.622 14.252 260 H VAL 37 H VAL 37 5.834 1.137 13.986 261 HA VAL 37 HA VAL 37 3.309 1.654 12.559 262 HB VAL 37 HB VAL 37 5.408 3.744 13.141 263 1HG1 VAL 37 1HG1 VAL 37 3.257 5.160 12.563 264 2HG1 VAL 37 2HG1 VAL 37 2.822 3.702 11.673 265 3HG1 VAL 37 3HG1 VAL 37 4.322 4.549 11.298 266 1HG2 VAL 37 1HG2 VAL 37 3.371 4.618 14.580 267 2HG2 VAL 37 2HG2 VAL 37 4.555 3.494 15.247 268 3HG2 VAL 37 3HG2 VAL 37 3.000 2.897 14.667 269 H HIS 38 H HIS 38 3.438 1.201 10.474 270 HA HIS 38 HA HIS 38 6.095 1.187 9.200 271 1HB HIS 38 2HB HIS 38 5.041 -0.990 9.159 272 2HB HIS 38 1HB HIS 38 3.591 -0.307 8.441 273 HD1 HIS 38 HD1 HIS 38 6.446 -2.160 7.507 274 HD2 HIS 38 HD2 HIS 38 4.370 1.007 5.797 275 HE1 HIS 38 HE1 HIS 38 7.070 -2.183 5.070 276 HE2 HIS 38 HE2 HIS 38 5.737 -0.310 4.042 277 H THR 39 H THR 39 6.442 2.207 7.313 278 HA THR 39 HA THR 39 4.305 4.019 6.396 279 HB THR 39 HB THR 39 7.264 4.490 6.059 280 HG1 THR 39 HG1 THR 39 5.543 5.232 8.171 281 1HG2 THR 39 1HG2 THR 39 6.624 6.824 5.812 282 2HG2 THR 39 2HG2 THR 39 4.925 6.378 5.969 283 3HG2 THR 39 3HG2 THR 39 5.861 5.813 4.585 284 H VAL 40 H VAL 40 3.677 3.912 4.334 285 HA VAL 40 HA VAL 40 5.187 2.136 2.534 286 HB VAL 40 HB VAL 40 2.272 2.896 2.338 287 1HG1 VAL 40 1HG1 VAL 40 2.088 1.228 0.668 288 2HG1 VAL 40 2HG1 VAL 40 3.718 0.633 0.985 289 3HG1 VAL 40 3HG1 VAL 40 3.486 2.215 0.241 290 1HG2 VAL 40 1HG2 VAL 40 3.298 0.220 3.216 291 2HG2 VAL 40 2HG2 VAL 40 1.676 0.895 3.378 292 3HG2 VAL 40 3HG2 VAL 40 2.994 1.514 4.375 293 H VAL 41 H VAL 41 5.809 2.835 0.548 294 HA VAL 41 HA VAL 41 5.547 5.694 0.027 295 HB VAL 41 HB VAL 41 7.191 3.676 -1.504 296 1HG1 VAL 41 1HG1 VAL 41 8.495 5.930 -1.881 297 2HG1 VAL 41 2HG1 VAL 41 6.917 6.639 -1.546 298 3HG1 VAL 41 3HG1 VAL 41 7.108 5.504 -2.881 299 1HG2 VAL 41 1HG2 VAL 41 8.245 3.517 0.513 300 2HG2 VAL 41 2HG2 VAL 41 7.717 5.115 1.040 301 3HG2 VAL 41 3HG2 VAL 41 9.045 4.959 -0.110 302 H LEU 42 H LEU 42 3.831 6.306 -1.098 303 HA LEU 42 HA LEU 42 2.353 4.562 -2.790 304 1HB LEU 42 2HB LEU 42 2.171 7.566 -2.715 305 2HB LEU 42 1HB LEU 42 0.927 6.429 -3.201 306 HG LEU 42 HG LEU 42 1.975 6.864 -0.405 307 1HD1 LEU 42 1HD1 LEU 42 -0.276 7.904 -1.936 308 2HD1 LEU 42 2HD1 LEU 42 0.443 8.485 -0.434 309 3HD1 LEU 42 3HD1 LEU 42 -0.747 7.184 -0.395 310 1HD2 LEU 42 1HD2 LEU 42 0.485 4.636 -1.612 311 2HD2 LEU 42 2HD2 LEU 42 -0.208 5.285 -0.126 312 3HD2 LEU 42 3HD2 LEU 42 1.453 4.691 -0.138 313 H SER 43 H SER 43 5.186 6.323 -3.317 314 HA SER 43 HA SER 43 4.752 6.959 -6.080 315 1HB SER 43 2HB SER 43 6.566 7.779 -4.179 316 2HB SER 43 1HB SER 43 7.544 6.730 -5.204 317 HG SER 43 HG SER 43 6.866 7.979 -6.993 318 H THR 44 H THR 44 5.993 4.265 -4.263 319 HA THR 44 HA THR 44 7.213 2.989 -6.520 320 HB THR 44 HB THR 44 8.002 2.642 -4.187 321 HG1 THR 44 HG1 THR 44 8.742 0.983 -5.243 322 1HG2 THR 44 1HG2 THR 44 5.278 1.928 -3.724 323 2HG2 THR 44 2HG2 THR 44 6.597 2.117 -2.569 324 3HG2 THR 44 3HG2 THR 44 6.325 0.559 -3.350 325 H ILE 45 H ILE 45 4.084 3.070 -5.089 326 HA ILE 45 HA ILE 45 3.095 0.620 -6.141 327 HB ILE 45 HB ILE 45 1.468 3.052 -5.416 328 1HG1 ILE 45 2HG1 ILE 45 2.919 2.542 -3.545 329 2HG1 ILE 45 1HG1 ILE 45 1.284 2.009 -3.162 330 1HG2 ILE 45 1HG2 ILE 45 0.729 0.136 -5.296 331 2HG2 ILE 45 2HG2 ILE 45 0.356 1.191 -6.660 332 3HG2 ILE 45 3HG2 ILE 45 -0.333 1.526 -5.071 333 1HD1 ILE 45 1HD1 ILE 45 3.715 0.389 -3.752 334 2HD1 ILE 45 2HD1 ILE 45 2.112 -0.285 -4.048 335 3HD1 ILE 45 3HD1 ILE 45 2.559 0.247 -2.427 336 H ASP 46 H ASP 46 3.248 0.316 -8.286 337 HA ASP 46 HA ASP 46 2.620 2.459 -10.138 338 1HB ASP 46 2HB ASP 46 4.523 0.951 -10.583 339 2HB ASP 46 1HB ASP 46 3.411 -0.410 -10.681 340 H LYS 47 H LYS 47 1.079 -0.301 -8.735 341 HA LYS 47 HA LYS 47 -1.367 0.351 -10.166 342 1HB LYS 47 2HB LYS 47 -0.087 -2.384 -10.256 343 2HB LYS 47 1HB LYS 47 -1.765 -2.079 -10.684 344 1HG LYS 47 2HG LYS 47 -1.128 -0.720 -12.532 345 2HG LYS 47 1HG LYS 47 0.564 -0.734 -12.031 346 1HD LYS 47 2HD LYS 47 0.188 -2.272 -13.889 347 2HD LYS 47 1HD LYS 47 0.665 -3.145 -12.431 348 1HE LYS 47 2HE LYS 47 -1.240 -4.142 -13.772 349 2HE LYS 47 1HE LYS 47 -1.529 -3.911 -12.047 350 1HZ LYS 47 1HZ LYS 47 -3.398 -3.201 -13.472 351 2HZ LYS 47 2HZ LYS 47 -2.407 -2.012 -14.153 352 3HZ LYS 47 3HZ LYS 47 -2.792 -1.950 -12.507 353 H LEU 48 H LEU 48 -3.262 -0.779 -9.248 354 HA LEU 48 HA LEU 48 -2.841 -1.691 -6.490 355 1HB LEU 48 2HB LEU 48 -4.676 -0.350 -5.688 356 2HB LEU 48 1HB LEU 48 -3.481 0.684 -6.448 357 HG LEU 48 HG LEU 48 -5.281 0.075 -8.495 358 1HD1 LEU 48 1HD1 LEU 48 -6.853 -0.782 -6.830 359 2HD1 LEU 48 2HD1 LEU 48 -7.453 0.694 -7.588 360 3HD1 LEU 48 3HD1 LEU 48 -6.769 0.751 -5.963 361 1HD2 LEU 48 1HD2 LEU 48 -4.531 2.416 -6.858 362 2HD2 LEU 48 2HD2 LEU 48 -6.038 2.541 -7.764 363 3HD2 LEU 48 3HD2 LEU 48 -4.528 2.204 -8.609 364 H GLN 49 H GLN 49 -3.633 -3.674 -6.337 365 HA GLN 49 HA GLN 49 -6.018 -4.367 -7.923 366 1HB GLN 49 2HB GLN 49 -3.811 -6.159 -6.894 367 2HB GLN 49 1HB GLN 49 -5.245 -6.718 -7.743 368 1HG GLN 49 2HG GLN 49 -4.564 -5.369 -9.698 369 2HG GLN 49 1HG GLN 49 -3.082 -4.940 -8.843 370 1HE2 GLN 49 1HE2 GLN 49 -1.402 -6.304 -8.890 371 2HE2 GLN 49 2HE2 GLN 49 -1.416 -7.864 -9.634 372 H ALA 50 H ALA 50 -7.826 -4.769 -6.841 373 HA ALA 50 HA ALA 50 -7.624 -5.410 -3.971 374 1HB ALA 50 1HB ALA 50 -8.664 -3.176 -4.726 375 2HB ALA 50 2HB ALA 50 -9.520 -4.142 -3.524 376 3HB ALA 50 3HB ALA 50 -10.049 -4.158 -5.207 377 H THR 51 H THR 51 -9.438 -6.697 -3.100 378 HA THR 51 HA THR 51 -9.833 -9.043 -4.660 379 HB THR 51 HB THR 51 -11.253 -9.778 -2.743 380 HG1 THR 51 HG1 THR 51 -10.554 -7.294 -1.580 381 1HG2 THR 51 1HG2 THR 51 -8.483 -8.799 -2.368 382 2HG2 THR 51 2HG2 THR 51 -9.137 -10.433 -2.263 383 3HG2 THR 51 3HG2 THR 51 -9.390 -9.296 -0.940 384 HA PRO 52 HA PRO 52 -13.571 -8.112 -6.801 385 1HB PRO 52 2HB PRO 52 -14.751 -10.570 -6.859 386 2HB PRO 52 1HB PRO 52 -13.384 -10.122 -7.885 387 1HG PRO 52 2HG PRO 52 -13.403 -11.667 -5.322 388 2HG PRO 52 1HG PRO 52 -12.489 -11.979 -6.810 389 1HD PRO 52 2HD PRO 52 -11.362 -10.814 -4.655 390 2HD PRO 52 1HD PRO 52 -10.891 -10.385 -6.312 391 H ALA 53 H ALA 53 -15.780 -7.757 -6.506 392 HA ALA 53 HA ALA 53 -16.642 -7.378 -3.847 393 1HB ALA 53 1HB ALA 53 -18.945 -7.168 -5.198 394 2HB ALA 53 2HB ALA 53 -17.807 -7.015 -6.537 395 3HB ALA 53 3HB ALA 53 -17.721 -5.899 -5.173 396 H SER 54 H SER 54 -16.695 -10.140 -5.851 397 HA SER 54 HA SER 54 -18.950 -11.370 -4.488 398 1HB SER 54 2HB SER 54 -17.103 -12.383 -6.659 399 2HB SER 54 1HB SER 54 -18.443 -13.312 -5.986 400 HG SER 54 HG SER 54 -18.469 -11.153 -7.720 401 H SER 55 H SER 55 -15.813 -10.866 -3.688 402 HA SER 55 HA SER 55 -15.504 -13.468 -2.358 403 1HB SER 55 2HB SER 55 -13.538 -11.383 -3.260 404 2HB SER 55 1HB SER 55 -13.104 -12.524 -1.988 405 HG SER 55 HG SER 55 -14.134 -13.338 -4.496 406 H GLU 56 H GLU 56 -16.199 -13.488 -0.342 407 HA GLU 56 HA GLU 56 -16.797 -11.248 1.208 408 1HB GLU 56 2HB GLU 56 -16.138 -14.054 2.115 409 2HB GLU 56 1HB GLU 56 -16.899 -12.824 3.114 410 1HG GLU 56 2HG GLU 56 -18.794 -12.758 1.547 411 2HG GLU 56 1HG GLU 56 -18.038 -14.046 0.611 412 H LYS 57 H LYS 57 -13.788 -12.715 0.524 413 HA LYS 57 HA LYS 57 -12.418 -11.845 2.890 414 1HB LYS 57 2HB LYS 57 -11.339 -12.745 0.212 415 2HB LYS 57 1HB LYS 57 -10.373 -12.495 1.659 416 1HG LYS 57 2HG LYS 57 -11.768 -14.243 2.784 417 2HG LYS 57 1HG LYS 57 -12.498 -14.574 1.211 418 1HD LYS 57 2HD LYS 57 -9.536 -14.699 1.764 419 2HD LYS 57 1HD LYS 57 -10.611 -16.098 1.811 420 1HE LYS 57 2HE LYS 57 -10.777 -14.457 -0.627 421 2HE LYS 57 1HE LYS 57 -9.243 -15.292 -0.383 422 1HZ LYS 57 1HZ LYS 57 -11.724 -16.809 -0.029 423 2HZ LYS 57 2HZ LYS 57 -10.214 -17.329 -0.582 424 3HZ LYS 57 3HZ LYS 57 -11.229 -16.445 -1.606 425 H MET 58 H MET 58 -12.000 -9.789 3.319 426 HA MET 58 HA MET 58 -11.802 -7.859 1.138 427 1HB MET 58 2HB MET 58 -12.011 -7.527 4.132 428 2HB MET 58 1HB MET 58 -11.805 -6.182 3.019 429 1HG MET 58 2HG MET 58 -14.036 -6.101 3.069 430 2HG MET 58 1HG MET 58 -13.934 -7.431 1.916 431 1HE MET 58 1HE MET 58 -14.519 -6.211 5.404 432 2HE MET 58 2HE MET 58 -15.534 -7.451 6.139 433 3HE MET 58 3HE MET 58 -16.142 -6.506 4.780 434 H MET 59 H MET 59 -9.828 -7.763 0.259 435 HA MET 59 HA MET 59 -7.595 -7.032 1.963 436 1HB MET 59 2HB MET 59 -7.395 -9.404 0.100 437 2HB MET 59 1HB MET 59 -6.104 -8.747 1.097 438 1HG MET 59 2HG MET 59 -7.444 -9.317 3.107 439 2HG MET 59 1HG MET 59 -8.615 -10.101 2.048 440 1HE MET 59 1HE MET 59 -7.516 -11.598 4.395 441 2HE MET 59 2HE MET 59 -6.821 -13.108 3.805 442 3HE MET 59 3HE MET 59 -8.388 -12.564 3.206 443 H LEU 60 H LEU 60 -6.153 -5.705 0.958 444 HA LEU 60 HA LEU 60 -6.629 -5.177 -1.903 445 1HB LEU 60 2HB LEU 60 -7.276 -3.332 -0.382 446 2HB LEU 60 1HB LEU 60 -5.624 -3.260 0.202 447 HG LEU 60 HG LEU 60 -4.945 -2.772 -2.206 448 1HD1 LEU 60 1HD1 LEU 60 -6.864 -3.436 -3.416 449 2HD1 LEU 60 2HD1 LEU 60 -6.795 -1.678 -3.524 450 3HD1 LEU 60 3HD1 LEU 60 -7.928 -2.451 -2.414 451 1HD2 LEU 60 1HD2 LEU 60 -5.067 -0.514 -1.814 452 2HD2 LEU 60 2HD2 LEU 60 -5.352 -1.142 -0.191 453 3HD2 LEU 60 3HD2 LEU 60 -6.710 -0.602 -1.178 454 H ARG 61 H ARG 61 -4.979 -5.478 -3.255 455 HA ARG 61 HA ARG 61 -2.302 -5.893 -2.101 456 1HB ARG 61 2HB ARG 61 -3.764 -7.602 -3.656 457 2HB ARG 61 1HB ARG 61 -2.763 -6.800 -4.859 458 1HG ARG 61 2HG ARG 61 -1.279 -7.649 -2.497 459 2HG ARG 61 1HG ARG 61 -2.041 -8.978 -3.371 460 1HD ARG 61 2HD ARG 61 -0.193 -6.898 -4.534 461 2HD ARG 61 1HD ARG 61 0.210 -8.582 -4.201 462 HE ARG 61 HE ARG 61 -1.254 -7.560 -6.453 463 1HH1 ARG 61 1HH1 ARG 61 -0.672 -10.359 -4.452 464 2HH1 ARG 61 2HH1 ARG 61 -1.152 -11.488 -5.674 465 1HH2 ARG 61 1HH2 ARG 61 -1.886 -9.043 -8.062 466 2HH2 ARG 61 2HH2 ARG 61 -1.839 -10.742 -7.724 467 H LEU 62 H LEU 62 -0.628 -4.680 -2.733 468 HA LEU 62 HA LEU 62 -1.077 -2.779 -4.942 469 1HB LEU 62 2HB LEU 62 -0.290 -2.336 -2.183 470 2HB LEU 62 1HB LEU 62 0.889 -1.677 -3.302 471 HG LEU 62 HG LEU 62 -0.973 -0.443 -4.433 472 1HD1 LEU 62 1HD1 LEU 62 -2.680 -0.802 -2.043 473 2HD1 LEU 62 2HD1 LEU 62 -2.651 -2.119 -3.215 474 3HD1 LEU 62 3HD1 LEU 62 -3.123 -0.496 -3.722 475 1HD2 LEU 62 1HD2 LEU 62 -1.132 0.490 -1.650 476 2HD2 LEU 62 2HD2 LEU 62 -0.598 1.334 -3.104 477 3HD2 LEU 62 3HD2 LEU 62 0.503 0.242 -2.264 478 H ILE 63 H ILE 63 0.357 -2.786 -6.533 479 HA ILE 63 HA ILE 63 2.725 -4.498 -6.251 480 HB ILE 63 HB ILE 63 1.667 -3.371 -8.833 481 1HG1 ILE 63 2HG1 ILE 63 -0.177 -4.593 -7.865 482 2HG1 ILE 63 1HG1 ILE 63 0.535 -5.580 -9.138 483 1HG2 ILE 63 1HG2 ILE 63 2.817 -5.386 -9.755 484 2HG2 ILE 63 2HG2 ILE 63 3.458 -5.688 -8.140 485 3HG2 ILE 63 3HG2 ILE 63 3.894 -4.212 -8.998 486 1HD1 ILE 63 1HD1 ILE 63 0.183 -6.157 -6.346 487 2HD1 ILE 63 2HD1 ILE 63 1.875 -6.324 -6.817 488 3HD1 ILE 63 3HD1 ILE 63 0.627 -7.231 -7.671 489 H GLY 64 H GLY 64 4.774 -3.756 -6.557 490 1HA GLY 64 2HA GLY 64 5.193 -0.923 -6.337 491 2HA GLY 64 1HA GLY 64 6.438 -2.159 -6.395 492 H LYS 65 H LYS 65 7.302 -0.206 -7.714 493 HA LYS 65 HA LYS 65 6.306 0.105 -10.373 494 1HB LYS 65 2HB LYS 65 8.568 1.155 -8.784 495 2HB LYS 65 1HB LYS 65 8.821 1.098 -10.524 496 1HG LYS 65 2HG LYS 65 6.776 2.407 -10.855 497 2HG LYS 65 1HG LYS 65 6.559 2.489 -9.105 498 1HD LYS 65 2HD LYS 65 8.644 3.700 -8.870 499 2HD LYS 65 1HD LYS 65 8.962 3.538 -10.599 500 1HE LYS 65 2HE LYS 65 7.065 4.915 -11.131 501 2HE LYS 65 1HE LYS 65 6.571 4.962 -9.438 502 1HZ LYS 65 1HZ LYS 65 7.667 6.990 -9.929 503 2HZ LYS 65 2HZ LYS 65 8.983 6.200 -10.641 504 3HZ LYS 65 3HZ LYS 65 8.730 6.084 -8.973 505 H VAL 66 H VAL 66 8.291 0.002 -12.110 506 HA VAL 66 HA VAL 66 9.149 -2.819 -12.072 507 HB VAL 66 HB VAL 66 8.692 -1.114 -14.521 508 1HG1 VAL 66 1HG1 VAL 66 8.558 -3.500 -15.521 509 2HG1 VAL 66 2HG1 VAL 66 9.416 -3.979 -14.056 510 3HG1 VAL 66 3HG1 VAL 66 10.140 -2.808 -15.158 511 1HG2 VAL 66 1HG2 VAL 66 6.726 -2.953 -14.619 512 2HG2 VAL 66 2HG2 VAL 66 6.519 -1.335 -13.948 513 3HG2 VAL 66 3HG2 VAL 66 6.828 -2.700 -12.877 514 H ASP 67 H ASP 67 11.254 -3.296 -12.353 515 HA ASP 67 HA ASP 67 13.176 -1.179 -12.188 516 1HB ASP 67 2HB ASP 67 14.841 -3.005 -12.164 517 2HB ASP 67 1HB ASP 67 13.551 -3.269 -10.996 518 H GLU 68 H GLU 68 15.202 -1.364 -13.639 519 HA GLU 68 HA GLU 68 14.308 -1.579 -16.439 520 1HB GLU 68 2HB GLU 68 16.354 0.303 -15.246 521 2HB GLU 68 1HB GLU 68 15.971 0.181 -16.957 522 1HG GLU 68 2HG GLU 68 13.649 0.849 -16.448 523 2HG GLU 68 1HG GLU 68 14.113 1.063 -14.760 524 H SER 69 H SER 69 15.333 -3.786 -15.046 525 HA SER 69 HA SER 69 18.069 -4.218 -15.270 526 1HB SER 69 2HB SER 69 15.869 -6.268 -15.614 527 2HB SER 69 1HB SER 69 17.549 -6.605 -15.198 528 HG SER 69 HG SER 69 17.114 -5.173 -13.322 529 H LYS 70 H LYS 70 15.643 -4.099 -17.709 530 HA LYS 70 HA LYS 70 16.811 -5.646 -19.720 531 1HB LYS 70 2HB LYS 70 15.113 -3.155 -19.936 532 2HB LYS 70 1HB LYS 70 15.514 -4.199 -21.293 533 1HG LYS 70 2HG LYS 70 14.398 -6.074 -20.122 534 2HG LYS 70 1HG LYS 70 13.909 -4.943 -18.858 535 1HD LYS 70 2HD LYS 70 12.735 -3.600 -20.582 536 2HD LYS 70 1HD LYS 70 13.145 -4.834 -21.776 537 1HE LYS 70 2HE LYS 70 11.061 -5.554 -21.190 538 2HE LYS 70 1HE LYS 70 12.019 -6.425 -19.993 539 1HZ LYS 70 1HZ LYS 70 11.590 -4.240 -18.629 540 2HZ LYS 70 2HZ LYS 70 10.455 -5.492 -18.656 541 3HZ LYS 70 3HZ LYS 70 10.236 -4.133 -19.638 542 H LYS 71 H LYS 71 17.454 -2.358 -18.676 543 HA LYS 71 HA LYS 71 19.410 -2.006 -20.824 544 1HB LYS 71 2HB LYS 71 18.083 -0.143 -18.884 545 2HB LYS 71 1HB LYS 71 19.576 0.333 -19.682 546 1HG LYS 71 2HG LYS 71 17.893 1.227 -21.019 547 2HG LYS 71 1HG LYS 71 18.385 -0.242 -21.866 548 1HD LYS 71 2HD LYS 71 16.485 -1.440 -20.888 549 2HD LYS 71 1HD LYS 71 15.997 0.029 -20.039 550 1HE LYS 71 2HE LYS 71 16.237 -0.183 -23.034 551 2HE LYS 71 1HE LYS 71 14.735 -0.438 -22.150 552 1HZ LYS 71 1HZ LYS 71 15.482 1.918 -23.120 553 2HZ LYS 71 2HZ LYS 71 16.148 2.032 -21.569 554 3HZ LYS 71 3HZ LYS 71 14.491 1.752 -21.758 555 H ARG 72 H ARG 72 21.587 -1.581 -20.435 556 HA ARG 72 HA ARG 72 22.529 -2.428 -17.779 557 1HB ARG 72 2HB ARG 72 23.892 -2.535 -20.474 558 2HB ARG 72 1HB ARG 72 24.668 -2.965 -18.955 559 1HG ARG 72 2HG ARG 72 22.984 -4.735 -18.628 560 2HG ARG 72 1HG ARG 72 22.290 -4.329 -20.200 561 1HD ARG 72 2HD ARG 72 23.732 -6.202 -20.511 562 2HD ARG 72 1HD ARG 72 24.527 -4.794 -21.214 563 HE ARG 72 HE ARG 72 25.390 -5.084 -18.563 564 1HH1 ARG 72 1HH1 ARG 72 25.663 -6.701 -21.645 565 2HH1 ARG 72 2HH1 ARG 72 27.216 -7.383 -21.290 566 1HH2 ARG 72 1HH2 ARG 72 27.432 -5.980 -18.096 567 2HH2 ARG 72 2HH2 ARG 72 28.219 -6.974 -19.276 568 H LYS 73 H LYS 73 23.468 -0.971 -16.521 569 HA LYS 73 HA LYS 73 24.190 1.624 -17.653 570 1HB LYS 73 2HB LYS 73 23.848 0.703 -14.796 571 2HB LYS 73 1HB LYS 73 24.336 2.328 -15.254 572 1HG LYS 73 2HG LYS 73 22.211 2.574 -16.494 573 2HG LYS 73 1HG LYS 73 21.722 0.985 -15.902 574 1HD LYS 73 2HD LYS 73 21.949 1.814 -13.586 575 2HD LYS 73 1HD LYS 73 22.347 3.411 -14.221 576 1HE LYS 73 2HE LYS 73 20.034 3.421 -13.643 577 2HE LYS 73 1HE LYS 73 20.146 3.403 -15.402 578 1HZ LYS 73 1HZ LYS 73 18.691 1.728 -15.216 579 2HZ LYS 73 2HZ LYS 73 19.076 1.410 -13.600 580 3HZ LYS 73 3HZ LYS 73 20.044 0.786 -14.840 581 H ASP 74 H ASP 74 26.175 2.688 -16.917 582 HA ASP 74 HA ASP 74 28.447 1.144 -17.418 583 1HB ASP 74 2HB ASP 74 28.160 3.855 -16.120 584 2HB ASP 74 1HB ASP 74 29.712 3.148 -16.554 585 H ASN 75 H ASN 75 26.756 1.796 -14.479 586 HA ASN 75 HA ASN 75 26.918 0.818 -12.418 587 1HB ASN 75 2HB ASN 75 27.853 -1.151 -13.792 588 2HB ASN 75 1HB ASN 75 29.437 -0.586 -13.271 589 1HD2 ASN 75 1HD2 ASN 75 30.191 -1.559 -11.547 590 2HD2 ASN 75 2HD2 ASN 75 29.256 -2.245 -10.266 591 H GLU 76 H GLU 76 28.990 2.964 -13.735 592 HA GLU 76 HA GLU 76 30.937 3.095 -11.612 593 1HB GLU 76 2HB GLU 76 30.359 4.960 -13.919 594 2HB GLU 76 1HB GLU 76 31.691 5.160 -12.789 595 1HG GLU 76 2HG GLU 76 32.589 2.984 -13.495 596 2HG GLU 76 1HG GLU 76 31.278 2.844 -14.666 597 H GLY 77 H GLY 77 28.818 3.174 -10.181 598 1HA GLY 77 2HA GLY 77 28.064 4.497 -8.403 599 2HA GLY 77 1HA GLY 77 28.668 5.921 -9.237 600 H ASN 78 H ASN 78 26.834 3.947 -11.283 601 HA ASN 78 HA ASN 78 24.774 5.911 -11.493 602 1HB ASN 78 2HB ASN 78 25.104 3.178 -12.738 603 2HB ASN 78 1HB ASN 78 23.765 4.260 -13.111 604 1HD2 ASN 78 1HD2 ASN 78 27.215 3.786 -13.336 605 2HD2 ASN 78 2HD2 ASN 78 27.488 4.943 -14.589 606 H GLU 79 H GLU 79 22.624 5.786 -10.906 607 HA GLU 79 HA GLU 79 22.033 3.827 -8.807 608 1HB GLU 79 2HB GLU 79 21.821 6.229 -8.249 609 2HB GLU 79 1HB GLU 79 20.595 6.394 -9.499 610 1HG GLU 79 2HG GLU 79 19.200 4.751 -8.286 611 2HG GLU 79 1HG GLU 79 20.407 4.727 -7.001 612 H VAL 80 H VAL 80 20.175 2.576 -8.822 613 HA VAL 80 HA VAL 80 18.644 2.560 -11.339 614 HB VAL 80 HB VAL 80 18.489 0.105 -11.185 615 1HG1 VAL 80 1HG1 VAL 80 21.406 0.489 -11.146 616 2HG1 VAL 80 2HG1 VAL 80 20.513 1.569 -12.217 617 3HG1 VAL 80 3HG1 VAL 80 20.363 -0.179 -12.401 618 1HG2 VAL 80 1HG2 VAL 80 20.499 -0.789 -9.633 619 2HG2 VAL 80 2HG2 VAL 80 18.824 -0.676 -9.092 620 3HG2 VAL 80 3HG2 VAL 80 19.971 0.599 -8.683 621 H VAL 81 H VAL 81 16.471 1.807 -11.190 622 HA VAL 81 HA VAL 81 15.162 2.617 -8.787 623 HB VAL 81 HB VAL 81 13.083 1.791 -9.960 624 1HG1 VAL 81 1HG1 VAL 81 14.258 4.120 -10.142 625 2HG1 VAL 81 2HG1 VAL 81 12.911 3.718 -11.206 626 3HG1 VAL 81 3HG1 VAL 81 14.567 3.610 -11.802 627 1HG2 VAL 81 1HG2 VAL 81 14.841 1.481 -12.374 628 2HG2 VAL 81 2HG2 VAL 81 13.158 0.998 -12.161 629 3HG2 VAL 81 3HG2 VAL 81 14.440 0.112 -11.335 630 HA PRO 82 HA PRO 82 15.193 -1.164 -6.473 631 1HB PRO 82 2HB PRO 82 12.440 -0.359 -5.680 632 2HB PRO 82 1HB PRO 82 13.827 -0.776 -4.668 633 1HG PRO 82 2HG PRO 82 13.053 1.757 -4.939 634 2HG PRO 82 1HG PRO 82 14.773 1.331 -4.865 635 1HD PRO 82 2HD PRO 82 13.105 2.086 -7.224 636 2HD PRO 82 1HD PRO 82 14.799 2.477 -6.867 637 H LYS 83 H LYS 83 14.301 -3.237 -6.521 638 HA LYS 83 HA LYS 83 13.088 -4.044 -8.914 639 1HB LYS 83 2HB LYS 83 13.625 -5.363 -6.284 640 2HB LYS 83 1HB LYS 83 12.591 -6.180 -7.449 641 1HG LYS 83 2HG LYS 83 14.814 -6.990 -7.728 642 2HG LYS 83 1HG LYS 83 14.422 -5.979 -9.121 643 1HD LYS 83 2HD LYS 83 15.818 -4.261 -8.427 644 2HD LYS 83 1HD LYS 83 15.803 -4.795 -6.745 645 1HE LYS 83 2HE LYS 83 17.051 -6.850 -7.521 646 2HE LYS 83 1HE LYS 83 17.253 -6.037 -9.073 647 1HZ LYS 83 1HZ LYS 83 19.131 -5.311 -8.100 648 2HZ LYS 83 2HZ LYS 83 18.546 -5.515 -6.526 649 3HZ LYS 83 3HZ LYS 83 18.110 -4.146 -7.418 650 HA PRO 84 HA PRO 84 8.759 -3.536 -8.305 651 1HB PRO 84 2HB PRO 84 7.712 -5.826 -9.331 652 2HB PRO 84 1HB PRO 84 8.401 -4.547 -10.336 653 1HG PRO 84 2HG PRO 84 9.641 -7.113 -9.425 654 2HG PRO 84 1HG PRO 84 9.701 -6.347 -11.023 655 1HD PRO 84 2HD PRO 84 11.743 -6.179 -9.259 656 2HD PRO 84 1HD PRO 84 11.354 -4.867 -10.390 657 H GLN 85 H GLN 85 8.662 -3.550 -6.030 658 HA GLN 85 HA GLN 85 8.191 -6.124 -4.721 659 1HB GLN 85 2HB GLN 85 8.591 -3.353 -3.583 660 2HB GLN 85 1HB GLN 85 8.310 -4.793 -2.616 661 1HG GLN 85 2HG GLN 85 10.370 -5.775 -3.446 662 2HG GLN 85 1HG GLN 85 10.645 -4.366 -4.467 663 1HE2 GLN 85 1HE2 GLN 85 12.518 -5.214 -2.640 664 2HE2 GLN 85 2HE2 GLN 85 12.650 -4.049 -1.370 665 H ARG 86 H ARG 86 6.257 -6.737 -3.923 666 HA ARG 86 HA ARG 86 4.005 -4.881 -4.315 667 1HB ARG 86 2HB ARG 86 2.583 -6.857 -4.571 668 2HB ARG 86 1HB ARG 86 3.897 -6.871 -5.740 669 1HG ARG 86 2HG ARG 86 4.069 -9.014 -5.074 670 2HG ARG 86 1HG ARG 86 5.039 -8.299 -3.785 671 1HD ARG 86 2HD ARG 86 3.073 -8.229 -2.339 672 2HD ARG 86 1HD ARG 86 2.093 -8.924 -3.628 673 HE ARG 86 HE ARG 86 2.885 -10.979 -3.046 674 1HH1 ARG 86 1HH1 ARG 86 5.078 -8.567 -1.802 675 2HH1 ARG 86 2HH1 ARG 86 6.052 -9.713 -0.944 676 1HH2 ARG 86 1HH2 ARG 86 4.164 -12.489 -1.919 677 2HH2 ARG 86 2HH2 ARG 86 5.533 -11.941 -1.010 678 H HIS 87 H HIS 87 2.495 -4.607 -2.703 679 HA HIS 87 HA HIS 87 3.207 -5.758 -0.086 680 1HB HIS 87 2HB HIS 87 2.142 -3.050 -0.847 681 2HB HIS 87 1HB HIS 87 1.937 -3.678 0.784 682 HD1 HIS 87 HD1 HIS 87 3.750 -3.062 2.343 683 HD2 HIS 87 HD2 HIS 87 5.050 -3.084 -1.605 684 HE1 HIS 87 HE1 HIS 87 6.140 -2.282 2.419 685 HE2 HIS 87 HE2 HIS 87 6.880 -2.225 0.010 686 H MET 88 H MET 88 1.834 -7.315 0.460 687 HA MET 88 HA MET 88 -0.917 -7.243 -0.502 688 1HB MET 88 2HB MET 88 0.598 -9.367 1.027 689 2HB MET 88 1HB MET 88 -1.052 -9.532 0.445 690 1HG MET 88 2HG MET 88 -0.214 -9.215 -1.865 691 2HG MET 88 1HG MET 88 1.428 -9.212 -1.225 692 1HE MET 88 1HE MET 88 0.994 -11.925 1.093 693 2HE MET 88 2HE MET 88 2.250 -10.944 0.341 694 3HE MET 88 3HE MET 88 2.124 -12.661 -0.041 695 H PHE 89 H PHE 89 -2.449 -6.326 0.683 696 HA PHE 89 HA PHE 89 -2.097 -6.223 3.605 697 1HB PHE 89 2HB PHE 89 -3.491 -4.336 1.710 698 2HB PHE 89 1HB PHE 89 -3.727 -4.275 3.454 699 HD1 PHE 89 HD1 PHE 89 -1.547 -3.454 0.698 700 HD2 PHE 89 HD2 PHE 89 -1.816 -3.739 4.934 701 HE1 PHE 89 HE1 PHE 89 0.460 -2.047 0.914 702 HE2 PHE 89 HE2 PHE 89 0.189 -2.330 5.160 703 HZ PHE 89 HZ PHE 89 1.330 -1.482 3.148 704 H SER 90 H SER 90 -4.004 -6.386 4.921 705 HA SER 90 HA SER 90 -6.213 -7.852 3.638 706 1HB SER 90 2HB SER 90 -4.468 -8.669 5.862 707 2HB SER 90 1HB SER 90 -6.191 -8.865 6.186 708 HG SER 90 HG SER 90 -5.816 -10.678 5.140 709 H PHE 91 H PHE 91 -8.081 -6.822 3.884 710 HA PHE 91 HA PHE 91 -8.336 -4.841 6.014 711 1HB PHE 91 2HB PHE 91 -9.658 -5.268 3.370 712 2HB PHE 91 1HB PHE 91 -10.514 -4.364 4.615 713 HD1 PHE 91 HD1 PHE 91 -9.897 -2.164 5.185 714 HD2 PHE 91 HD2 PHE 91 -7.493 -4.447 2.520 715 HE1 PHE 91 HE1 PHE 91 -8.637 -0.131 4.584 716 HE2 PHE 91 HE2 PHE 91 -6.231 -2.429 1.912 717 HZ PHE 91 HZ PHE 91 -6.801 -0.263 2.945 718 H ASN 92 H ASN 92 -9.846 -4.916 7.575 719 HA ASN 92 HA ASN 92 -11.372 -7.406 7.813 720 1HB ASN 92 2HB ASN 92 -10.566 -5.327 9.853 721 2HB ASN 92 1HB ASN 92 -11.666 -6.655 10.210 722 1HD2 ASN 92 1HD2 ASN 92 -10.602 -8.782 9.043 723 2HD2 ASN 92 2HD2 ASN 92 -9.020 -9.114 9.652 724 H ASN 93 H ASN 93 -11.951 -4.698 6.326 725 HA ASN 93 HA ASN 93 -14.764 -4.737 6.945 726 1HB ASN 93 2HB ASN 93 -12.995 -2.453 7.641 727 2HB ASN 93 1HB ASN 93 -14.588 -2.083 6.987 728 1HD2 ASN 93 1HD2 ASN 93 -12.924 -2.488 9.754 729 2HD2 ASN 93 2HD2 ASN 93 -14.207 -2.948 10.815 730 H ARG 94 H ARG 94 -15.925 -4.552 5.151 731 HA ARG 94 HA ARG 94 -14.711 -4.277 2.629 732 1HB ARG 94 2HB ARG 94 -16.827 -5.503 3.032 733 2HB ARG 94 1HB ARG 94 -17.635 -3.972 3.335 734 1HG ARG 94 2HG ARG 94 -17.203 -3.264 1.055 735 2HG ARG 94 1HG ARG 94 -16.326 -4.763 0.741 736 1HD ARG 94 2HD ARG 94 -18.518 -5.019 -0.152 737 2HD ARG 94 1HD ARG 94 -18.424 -6.005 1.308 738 HE ARG 94 HE ARG 94 -19.462 -3.387 1.809 739 1HH1 ARG 94 1HH1 ARG 94 -20.293 -6.588 0.698 740 2HH1 ARG 94 2HH1 ARG 94 -21.962 -6.443 1.136 741 1HH2 ARG 94 1HH2 ARG 94 -21.657 -3.194 2.386 742 2HH2 ARG 94 2HH2 ARG 94 -22.737 -4.516 2.093 743 H THR 95 H THR 95 -16.645 -2.014 4.569 744 HA THR 95 HA THR 95 -16.633 0.070 2.698 745 HB THR 95 HB THR 95 -16.738 0.715 5.572 746 HG1 THR 95 HG1 THR 95 -18.752 -0.335 5.800 747 1HG2 THR 95 1HG2 THR 95 -18.746 1.867 4.990 748 2HG2 THR 95 2HG2 THR 95 -18.757 1.111 3.398 749 3HG2 THR 95 3HG2 THR 95 -17.496 2.271 3.814 750 H VAL 96 H VAL 96 -14.466 -0.902 5.242 751 HA VAL 96 HA VAL 96 -12.886 1.449 5.237 752 HB VAL 96 HB VAL 96 -12.189 -1.322 6.207 753 1HG1 VAL 96 1HG1 VAL 96 -10.107 -0.381 6.083 754 2HG1 VAL 96 2HG1 VAL 96 -10.602 0.195 7.675 755 3HG1 VAL 96 3HG1 VAL 96 -10.716 1.263 6.276 756 1HG2 VAL 96 1HG2 VAL 96 -12.841 -0.606 8.371 757 2HG2 VAL 96 2HG2 VAL 96 -14.151 -0.155 7.281 758 3HG2 VAL 96 3HG2 VAL 96 -13.010 1.067 7.843 759 H MET 97 H MET 97 -12.712 -1.620 3.559 760 HA MET 97 HA MET 97 -10.153 -1.089 2.382 761 1HB MET 97 2HB MET 97 -10.617 -3.036 0.963 762 2HB MET 97 1HB MET 97 -10.929 -3.385 2.657 763 1HG MET 97 2HG MET 97 -13.272 -3.232 2.337 764 2HG MET 97 1HG MET 97 -13.071 -2.616 0.699 765 1HE MET 97 1HE MET 97 -10.670 -4.783 -0.407 766 2HE MET 97 2HE MET 97 -11.971 -3.866 -1.168 767 3HE MET 97 3HE MET 97 -11.912 -5.622 -1.335 768 H ASP 98 H ASP 98 -13.495 -0.554 1.470 769 HA ASP 98 HA ASP 98 -12.893 0.206 -1.212 770 1HB ASP 98 2HB ASP 98 -15.107 -0.707 -0.492 771 2HB ASP 98 1HB ASP 98 -15.393 0.799 0.374 772 H ASN 99 H ASN 99 -13.126 1.815 1.844 773 HA ASN 99 HA ASN 99 -13.312 4.458 0.818 774 1HB ASN 99 2HB ASN 99 -12.574 3.346 3.516 775 2HB ASN 99 1HB ASN 99 -12.538 5.075 3.181 776 1HD2 ASN 99 1HD2 ASN 99 -14.151 4.031 5.135 777 2HD2 ASN 99 2HD2 ASN 99 -15.805 4.187 4.664 778 H ILE 100 H ILE 100 -10.714 2.309 1.637 779 HA ILE 100 HA ILE 100 -8.673 4.341 1.305 780 HB ILE 100 HB ILE 100 -8.400 1.361 1.721 781 1HG1 ILE 100 2HG1 ILE 100 -9.483 2.621 3.594 782 2HG1 ILE 100 1HG1 ILE 100 -7.955 1.862 4.034 783 1HG2 ILE 100 1HG2 ILE 100 -6.445 2.319 0.629 784 2HG2 ILE 100 2HG2 ILE 100 -6.073 1.841 2.285 785 3HG2 ILE 100 3HG2 ILE 100 -6.327 3.543 1.894 786 1HD1 ILE 100 1HD1 ILE 100 -6.850 3.886 4.178 787 2HD1 ILE 100 2HD1 ILE 100 -8.451 4.269 4.813 788 3HD1 ILE 100 3HD1 ILE 100 -8.026 4.718 3.161 789 H LYS 101 H LYS 101 -9.820 1.455 -0.400 790 HA LYS 101 HA LYS 101 -7.940 1.319 -2.424 791 1HB LYS 101 2HB LYS 101 -9.704 -0.365 -2.017 792 2HB LYS 101 1HB LYS 101 -10.900 0.749 -2.666 793 1HG LYS 101 2HG LYS 101 -9.888 0.658 -4.840 794 2HG LYS 101 1HG LYS 101 -8.547 -0.305 -4.219 795 1HD LYS 101 2HD LYS 101 -10.036 -1.805 -5.312 796 2HD LYS 101 1HD LYS 101 -10.231 -2.055 -3.575 797 1HE LYS 101 2HE LYS 101 -12.364 -1.959 -4.914 798 2HE LYS 101 1HE LYS 101 -12.273 -0.860 -3.540 799 1HZ LYS 101 1HZ LYS 101 -12.069 0.963 -4.899 800 2HZ LYS 101 2HZ LYS 101 -13.106 -0.003 -5.820 801 3HZ LYS 101 3HZ LYS 101 -11.461 0.079 -6.205 802 H MET 102 H MET 102 -10.727 3.445 -2.126 803 HA MET 102 HA MET 102 -10.576 4.442 -4.789 804 1HB MET 102 2HB MET 102 -11.962 5.464 -2.319 805 2HB MET 102 1HB MET 102 -12.076 6.267 -3.879 806 1HG MET 102 2HG MET 102 -13.020 4.202 -4.837 807 2HG MET 102 1HG MET 102 -12.976 3.467 -3.236 808 1HE MET 102 1HE MET 102 -15.189 2.958 -4.298 809 2HE MET 102 2HE MET 102 -16.520 4.091 -4.541 810 3HE MET 102 3HE MET 102 -16.253 3.371 -2.953 811 H THR 103 H THR 103 -9.601 5.751 -1.660 812 HA THR 103 HA THR 103 -8.514 8.136 -2.600 813 HB THR 103 HB THR 103 -7.298 6.822 -0.244 814 HG1 THR 103 HG1 THR 103 -10.038 7.520 -0.331 815 1HG2 THR 103 1HG2 THR 103 -8.728 9.436 -0.519 816 2HG2 THR 103 2HG2 THR 103 -6.993 9.220 -0.744 817 3HG2 THR 103 3HG2 THR 103 -7.725 8.909 0.831 818 H LEU 104 H LEU 104 -7.144 4.916 -2.181 819 HA LEU 104 HA LEU 104 -4.456 5.640 -2.696 820 1HB LEU 104 2HB LEU 104 -5.923 3.017 -2.920 821 2HB LEU 104 1HB LEU 104 -4.202 3.174 -3.217 822 HG LEU 104 HG LEU 104 -5.630 3.694 -0.610 823 1HD1 LEU 104 1HD1 LEU 104 -5.427 1.386 -0.825 824 2HD1 LEU 104 2HD1 LEU 104 -3.991 1.844 0.091 825 3HD1 LEU 104 3HD1 LEU 104 -3.864 1.503 -1.635 826 1HD2 LEU 104 1HD2 LEU 104 -2.912 4.391 -1.568 827 2HD2 LEU 104 2HD2 LEU 104 -3.063 3.766 0.074 828 3HD2 LEU 104 3HD2 LEU 104 -3.951 5.213 -0.404 829 H GLN 105 H GLN 105 -7.155 4.704 -4.755 830 HA GLN 105 HA GLN 105 -5.611 4.387 -7.115 831 1HB GLN 105 2HB GLN 105 -7.569 3.840 -8.127 832 2HB GLN 105 1HB GLN 105 -8.134 3.721 -6.469 833 1HG GLN 105 2HG GLN 105 -9.796 4.979 -7.378 834 2HG GLN 105 1HG GLN 105 -8.717 6.255 -6.818 835 1HE2 GLN 105 1HE2 GLN 105 -8.599 7.837 -8.224 836 2HE2 GLN 105 2HE2 GLN 105 -8.565 7.679 -9.944 837 H GLN 106 H GLN 106 -7.162 7.089 -5.574 838 HA GLN 106 HA GLN 106 -6.974 8.897 -7.740 839 1HB GLN 106 2HB GLN 106 -7.120 9.382 -4.760 840 2HB GLN 106 1HB GLN 106 -7.211 10.660 -5.965 841 1HG GLN 106 2HG GLN 106 -9.223 9.624 -6.900 842 2HG GLN 106 1HG GLN 106 -9.139 8.368 -5.667 843 1HE2 GLN 106 1HE2 GLN 106 -10.058 11.586 -6.399 844 2HE2 GLN 106 2HE2 GLN 106 -10.736 11.981 -4.861 845 H ILE 107 H ILE 107 -4.818 8.056 -5.084 846 HA ILE 107 HA ILE 107 -2.882 10.042 -5.462 847 HB ILE 107 HB ILE 107 -2.509 7.194 -4.515 848 1HG1 ILE 107 2HG1 ILE 107 -2.723 9.701 -2.849 849 2HG1 ILE 107 1HG1 ILE 107 -4.121 8.711 -3.252 850 1HG2 ILE 107 1HG2 ILE 107 -0.648 9.129 -3.453 851 2HG2 ILE 107 2HG2 ILE 107 -0.552 9.039 -5.212 852 3HG2 ILE 107 3HG2 ILE 107 -0.342 7.582 -4.244 853 1HD1 ILE 107 1HD1 ILE 107 -2.295 8.390 -1.130 854 2HD1 ILE 107 2HD1 ILE 107 -2.091 7.017 -2.217 855 3HD1 ILE 107 3HD1 ILE 107 -3.681 7.383 -1.547 856 H ILE 108 H ILE 108 -3.254 6.838 -6.893 857 HA ILE 108 HA ILE 108 -0.947 6.645 -8.410 858 HB ILE 108 HB ILE 108 -3.624 5.826 -9.497 859 1HG1 ILE 108 2HG1 ILE 108 -3.807 5.006 -7.318 860 2HG1 ILE 108 1HG1 ILE 108 -3.186 3.638 -8.234 861 1HG2 ILE 108 1HG2 ILE 108 -2.183 3.833 -10.207 862 2HG2 ILE 108 2HG2 ILE 108 -0.810 4.865 -9.807 863 3HG2 ILE 108 3HG2 ILE 108 -1.964 5.370 -11.042 864 1HD1 ILE 108 1HD1 ILE 108 -1.591 3.461 -6.715 865 2HD1 ILE 108 2HD1 ILE 108 -2.068 4.981 -5.960 866 3HD1 ILE 108 3HD1 ILE 108 -0.931 4.985 -7.309 867 H SER 109 H SER 109 -4.053 7.954 -9.318 868 HA SER 109 HA SER 109 -3.480 8.818 -11.884 869 1HB SER 109 2HB SER 109 -5.324 10.179 -9.911 870 2HB SER 109 1HB SER 109 -5.380 10.335 -11.667 871 HG SER 109 HG SER 109 -6.289 8.421 -11.824 872 H ARG 110 H ARG 110 -2.635 10.264 -8.848 873 HA ARG 110 HA ARG 110 -1.960 12.819 -9.883 874 1HB ARG 110 2HB ARG 110 -1.096 11.473 -7.325 875 2HB ARG 110 1HB ARG 110 -0.823 13.165 -7.711 876 1HG ARG 110 2HG ARG 110 -3.266 13.493 -7.842 877 2HG ARG 110 1HG ARG 110 -3.488 11.815 -7.343 878 1HD ARG 110 2HD ARG 110 -2.163 12.349 -5.285 879 2HD ARG 110 1HD ARG 110 -2.211 14.044 -5.770 880 HE ARG 110 HE ARG 110 -4.804 12.822 -5.632 881 1HH1 ARG 110 1HH1 ARG 110 -2.308 14.429 -3.797 882 2HH1 ARG 110 2HH1 ARG 110 -3.395 14.983 -2.569 883 1HH2 ARG 110 1HH2 ARG 110 -6.235 13.551 -4.017 884 2HH2 ARG 110 2HH2 ARG 110 -5.624 14.486 -2.693 885 H TYR 111 H TYR 111 -0.225 9.839 -9.393 886 HA TYR 111 HA TYR 111 2.362 10.926 -9.892 887 1HB TYR 111 2HB TYR 111 1.271 8.123 -9.827 888 2HB TYR 111 1HB TYR 111 2.937 8.448 -10.295 889 HD1 TYR 111 HD1 TYR 111 4.378 9.781 -8.620 890 HD2 TYR 111 HD2 TYR 111 0.714 7.889 -7.578 891 HE1 TYR 111 HE1 TYR 111 5.040 9.818 -6.253 892 HE2 TYR 111 HE2 TYR 111 1.365 7.921 -5.206 893 HH TYR 111 HH TYR 111 3.201 9.643 -3.825 894 H LYS 112 H LYS 112 -0.179 9.628 -11.857 895 HA LYS 112 HA LYS 112 1.373 9.318 -14.224 896 1HB LYS 112 2HB LYS 112 -1.603 9.448 -13.752 897 2HB LYS 112 1HB LYS 112 -0.889 9.175 -15.336 898 1HG LYS 112 2HG LYS 112 0.219 7.155 -14.445 899 2HG LYS 112 1HG LYS 112 -0.611 7.413 -12.909 900 1HD LYS 112 2HD LYS 112 -2.419 7.465 -15.190 901 2HD LYS 112 1HD LYS 112 -1.551 5.936 -15.045 902 1HE LYS 112 2HE LYS 112 -2.514 5.424 -13.034 903 2HE LYS 112 1HE LYS 112 -2.743 7.115 -12.590 904 1HZ LYS 112 1HZ LYS 112 -4.283 5.895 -14.794 905 2HZ LYS 112 2HZ LYS 112 -4.648 7.275 -13.887 906 3HZ LYS 112 3HZ LYS 112 -4.792 5.742 -13.188 907 H ASP 113 H ASP 113 -0.703 11.839 -12.902 908 HA ASP 113 HA ASP 113 -0.831 13.508 -15.141 909 1HB ASP 113 2HB ASP 113 -2.199 13.758 -13.066 910 2HB ASP 113 1HB ASP 113 -0.771 14.378 -12.245 911 H ALA 114 H ALA 114 1.619 13.188 -12.635 912 HA ALA 114 HA ALA 114 3.131 15.470 -13.230 913 1HB ALA 114 1HB ALA 114 3.646 14.439 -11.207 914 2HB ALA 114 2HB ALA 114 5.038 14.068 -12.224 915 3HB ALA 114 3HB ALA 114 3.797 12.846 -11.947 916 H ASP 115 H ASP 115 3.030 12.296 -14.705 917 HA ASP 115 HA ASP 115 5.175 13.099 -16.554 918 1HB ASP 115 2HB ASP 115 4.117 10.357 -15.838 919 2HB ASP 115 1HB ASP 115 5.300 10.656 -17.108 Start of MODEL 4 1 HT1 PRO 1 HT2 PRO 1 -14.134 12.839 2.065 2 HT2 PRO 1 HT1 PRO 1 -14.806 11.337 2.517 3 HA PRO 1 HA PRO 1 -12.303 12.392 3.056 4 1HB PRO 1 2HB PRO 1 -12.882 11.528 5.635 5 2HB PRO 1 1HB PRO 1 -12.656 13.208 5.131 6 1HG PRO 1 2HG PRO 1 -15.178 11.683 5.566 7 2HG PRO 1 1HG PRO 1 -14.838 13.398 5.845 8 1HD PRO 1 2HD PRO 1 -16.285 12.521 3.720 9 2HD PRO 1 1HD PRO 1 -15.263 13.970 3.644 10 H SER 2 H SER 2 -12.040 10.561 1.632 11 HA SER 2 HA SER 2 -12.586 7.934 2.797 12 1HB SER 2 2HB SER 2 -12.231 7.023 0.620 13 2HB SER 2 1HB SER 2 -13.194 8.483 0.395 14 HG SER 2 HG SER 2 -11.439 9.534 -0.381 15 H HIS 3 H HIS 3 -10.419 9.812 3.696 16 HA HIS 3 HA HIS 3 -8.009 8.336 2.973 17 1HB HIS 3 2HB HIS 3 -8.502 10.897 4.479 18 2HB HIS 3 1HB HIS 3 -6.926 10.113 4.481 19 HD1 HIS 3 HD1 HIS 3 -9.410 11.002 1.724 20 HD2 HIS 3 HD2 HIS 3 -5.367 11.304 2.637 21 HE1 HIS 3 HE1 HIS 3 -8.356 12.131 -0.260 22 HE2 HIS 3 HE2 HIS 3 -5.896 12.225 0.279 23 H SER 4 H SER 4 -6.511 7.664 4.698 24 HA SER 4 HA SER 4 -6.028 6.372 6.508 25 1HB SER 4 2HB SER 4 -6.695 7.172 8.609 26 2HB SER 4 1HB SER 4 -6.786 8.604 7.585 27 HG SER 4 HG SER 4 -8.699 8.606 8.589 28 H GLY 5 H GLY 5 -7.004 4.808 8.150 29 1HA GLY 5 2HA GLY 5 -9.408 3.739 8.389 30 2HA GLY 5 1HA GLY 5 -9.039 3.258 6.739 31 H ALA 6 H ALA 6 -9.396 1.729 9.327 32 HA ALA 6 HA ALA 6 -6.906 0.677 10.102 33 1HB ALA 6 1HB ALA 6 -8.855 0.429 11.509 34 2HB ALA 6 2HB ALA 6 -8.185 -1.154 11.106 35 3HB ALA 6 3HB ALA 6 -9.637 -0.577 10.286 36 H ALA 7 H ALA 7 -5.725 -1.018 9.422 37 HA ALA 7 HA ALA 7 -6.718 -2.843 7.424 38 1HB ALA 7 1HB ALA 7 -4.933 -2.340 5.796 39 2HB ALA 7 2HB ALA 7 -4.470 -0.947 6.777 40 3HB ALA 7 3HB ALA 7 -6.060 -0.999 6.012 41 H ILE 8 H ILE 8 -5.503 -4.741 7.228 42 HA ILE 8 HA ILE 8 -3.550 -5.143 9.371 43 HB ILE 8 HB ILE 8 -4.772 -7.204 7.543 44 1HG1 ILE 8 2HG1 ILE 8 -5.608 -6.657 10.380 45 2HG1 ILE 8 1HG1 ILE 8 -6.404 -5.899 9.001 46 1HG2 ILE 8 1HG2 ILE 8 -3.751 -7.847 10.252 47 2HG2 ILE 8 2HG2 ILE 8 -2.574 -7.563 8.973 48 3HG2 ILE 8 3HG2 ILE 8 -3.782 -8.829 8.789 49 1HD1 ILE 8 1HD1 ILE 8 -7.350 -8.091 9.997 50 2HD1 ILE 8 2HD1 ILE 8 -6.052 -8.850 9.067 51 3HD1 ILE 8 3HD1 ILE 8 -7.275 -7.873 8.247 52 H PHE 9 H PHE 9 -1.501 -5.855 9.035 53 HA PHE 9 HA PHE 9 -0.590 -6.389 6.323 54 1HB PHE 9 2HB PHE 9 -0.246 -3.981 6.579 55 2HB PHE 9 1HB PHE 9 0.650 -4.252 8.066 56 HD1 PHE 9 HD1 PHE 9 2.897 -3.932 7.840 57 HD2 PHE 9 HD2 PHE 9 0.736 -5.655 4.608 58 HE1 PHE 9 HE1 PHE 9 4.985 -4.119 6.550 59 HE2 PHE 9 HE2 PHE 9 2.819 -5.846 3.309 60 HZ PHE 9 HZ PHE 9 4.947 -5.077 4.282 61 H GLU 10 H GLU 10 0.149 -8.378 6.614 62 HA GLU 10 HA GLU 10 1.600 -10.026 7.210 63 1HB GLU 10 2HB GLU 10 2.743 -8.133 9.260 64 2HB GLU 10 1HB GLU 10 3.479 -9.605 8.648 65 1HG GLU 10 2HG GLU 10 3.608 -8.567 6.412 66 2HG GLU 10 1HG GLU 10 2.972 -7.075 7.101 67 H LYS 11 H LYS 11 -0.909 -10.154 8.132 68 HA LYS 11 HA LYS 11 -2.234 -11.188 9.621 69 1HB LYS 11 2HB LYS 11 0.482 -12.141 10.339 70 2HB LYS 11 1HB LYS 11 -0.866 -12.572 11.385 71 1HG LYS 11 2HG LYS 11 -1.964 -13.728 9.641 72 2HG LYS 11 1HG LYS 11 -0.881 -13.046 8.423 73 1HD LYS 11 2HD LYS 11 0.996 -14.283 9.423 74 2HD LYS 11 1HD LYS 11 -0.109 -14.983 10.608 75 1HE LYS 11 2HE LYS 11 0.362 -16.509 8.730 76 2HE LYS 11 1HE LYS 11 -1.347 -16.095 8.859 77 1HZ LYS 11 1HZ LYS 11 -1.277 -14.831 6.967 78 2HZ LYS 11 2HZ LYS 11 -0.154 -16.031 6.569 79 3HZ LYS 11 3HZ LYS 11 0.380 -14.512 7.086 80 H VAL 12 H VAL 12 -0.797 -8.468 10.323 81 HA VAL 12 HA VAL 12 -1.780 -8.443 13.070 82 HB VAL 12 HB VAL 12 0.538 -6.844 11.985 83 1HG1 VAL 12 1HG1 VAL 12 -0.867 -5.624 13.633 84 2HG1 VAL 12 2HG1 VAL 12 0.780 -5.919 14.190 85 3HG1 VAL 12 3HG1 VAL 12 -0.546 -6.911 14.796 86 1HG2 VAL 12 1HG2 VAL 12 0.634 -9.422 12.740 87 2HG2 VAL 12 2HG2 VAL 12 0.886 -8.634 14.298 88 3HG2 VAL 12 3HG2 VAL 12 1.972 -8.293 12.951 89 H SER 13 H SER 13 -3.191 -6.800 13.568 90 HA SER 13 HA SER 13 -4.007 -5.157 11.281 91 1HB SER 13 2HB SER 13 -5.706 -6.629 12.372 92 2HB SER 13 1HB SER 13 -5.526 -5.679 13.847 93 HG SER 13 HG SER 13 -6.610 -4.081 12.967 94 H GLY 14 H GLY 14 -4.262 -2.998 11.373 95 1HA GLY 14 2HA GLY 14 -3.866 -1.470 13.766 96 2HA GLY 14 1HA GLY 14 -2.473 -1.424 12.691 97 H ILE 15 H ILE 15 -3.413 0.959 13.009 98 HA ILE 15 HA ILE 15 -5.512 1.486 11.064 99 HB ILE 15 HB ILE 15 -4.078 3.320 12.978 100 1HG1 ILE 15 2HG1 ILE 15 -6.275 1.531 13.238 101 2HG1 ILE 15 1HG1 ILE 15 -5.632 2.646 14.441 102 1HG2 ILE 15 1HG2 ILE 15 -5.728 5.030 12.302 103 2HG2 ILE 15 2HG2 ILE 15 -6.288 3.953 11.024 104 3HG2 ILE 15 3HG2 ILE 15 -4.640 4.578 10.989 105 1HD1 ILE 15 1HD1 ILE 15 -7.113 4.407 13.473 106 2HD1 ILE 15 2HD1 ILE 15 -7.963 3.052 14.212 107 3HD1 ILE 15 3HD1 ILE 15 -7.833 3.159 12.457 108 H ILE 16 H ILE 16 -5.176 2.136 9.076 109 HA ILE 16 HA ILE 16 -2.440 2.762 8.241 110 HB ILE 16 HB ILE 16 -4.689 1.319 7.054 111 1HG1 ILE 16 2HG1 ILE 16 -1.716 1.466 6.550 112 2HG1 ILE 16 1HG1 ILE 16 -2.603 0.236 7.439 113 1HG2 ILE 16 1HG2 ILE 16 -4.117 2.006 4.693 114 2HG2 ILE 16 2HG2 ILE 16 -3.290 3.404 5.381 115 3HG2 ILE 16 3HG2 ILE 16 -5.024 3.193 5.629 116 1HD1 ILE 16 1HD1 ILE 16 -1.897 0.265 4.707 117 2HD1 ILE 16 2HD1 ILE 16 -3.657 0.348 4.810 118 3HD1 ILE 16 3HD1 ILE 16 -2.787 -0.967 5.601 119 H ALA 17 H ALA 17 -1.949 4.832 7.965 120 HA ALA 17 HA ALA 17 -4.104 6.722 7.289 121 1HB ALA 17 1HB ALA 17 -2.649 8.466 8.256 122 2HB ALA 17 2HB ALA 17 -1.482 7.218 8.694 123 3HB ALA 17 3HB ALA 17 -3.088 7.219 9.424 124 H ILE 18 H ILE 18 -3.854 8.142 5.599 125 HA ILE 18 HA ILE 18 -1.614 7.562 3.793 126 HB ILE 18 HB ILE 18 -4.479 8.107 3.378 127 1HG1 ILE 18 2HG1 ILE 18 -2.473 6.812 1.539 128 2HG1 ILE 18 1HG1 ILE 18 -3.195 5.969 2.906 129 1HG2 ILE 18 1HG2 ILE 18 -3.749 10.152 2.436 130 2HG2 ILE 18 2HG2 ILE 18 -4.065 9.054 1.093 131 3HG2 ILE 18 3HG2 ILE 18 -2.406 9.369 1.603 132 1HD1 ILE 18 1HD1 ILE 18 -4.449 6.880 0.365 133 2HD1 ILE 18 2HD1 ILE 18 -5.438 6.702 1.814 134 3HD1 ILE 18 3HD1 ILE 18 -4.550 5.317 1.177 135 H ASN 19 H ASN 19 -0.066 9.047 3.745 136 HA ASN 19 HA ASN 19 -0.771 11.838 4.353 137 1HB ASN 19 2HB ASN 19 1.619 12.125 4.956 138 2HB ASN 19 1HB ASN 19 0.802 10.927 5.956 139 1HD2 ASN 19 1HD2 ASN 19 1.437 8.824 5.881 140 2HD2 ASN 19 2HD2 ASN 19 2.818 8.273 5.001 141 H GLU 20 H GLU 20 -1.024 12.968 2.557 142 HA GLU 20 HA GLU 20 0.796 12.472 0.302 143 1HB GLU 20 2HB GLU 20 -1.016 13.876 -0.940 144 2HB GLU 20 1HB GLU 20 -1.322 12.182 -0.581 145 1HG GLU 20 2HG GLU 20 -2.665 12.797 1.335 146 2HG GLU 20 1HG GLU 20 -2.298 14.501 1.071 147 H ASP 21 H ASP 21 0.423 14.498 2.854 148 HA ASP 21 HA ASP 21 0.777 17.047 1.710 149 1HB ASP 21 2HB ASP 21 1.483 15.982 4.446 150 2HB ASP 21 1HB ASP 21 1.580 17.684 3.998 151 H VAL 22 H VAL 22 2.921 14.408 2.125 152 HA VAL 22 HA VAL 22 5.263 16.104 1.928 153 HB VAL 22 HB VAL 22 5.004 13.967 3.422 154 1HG1 VAL 22 1HG1 VAL 22 4.621 12.683 1.122 155 2HG1 VAL 22 2HG1 VAL 22 5.353 11.922 2.535 156 3HG1 VAL 22 3HG1 VAL 22 6.376 12.539 1.236 157 1HG2 VAL 22 1HG2 VAL 22 7.138 14.367 3.865 158 2HG2 VAL 22 2HG2 VAL 22 7.144 15.460 2.481 159 3HG2 VAL 22 3HG2 VAL 22 7.642 13.779 2.281 160 H SER 23 H SER 23 6.918 14.322 0.506 161 HA SER 23 HA SER 23 5.768 13.671 -2.017 162 1HB SER 23 2HB SER 23 7.514 15.425 -3.094 163 2HB SER 23 1HB SER 23 5.815 15.802 -2.811 164 HG SER 23 HG SER 23 7.152 17.419 -1.949 165 HA PRO 24 HA PRO 24 5.947 12.178 -3.250 166 1HB PRO 24 2HB PRO 24 6.638 9.387 -2.800 167 2HB PRO 24 1HB PRO 24 6.466 10.257 -4.325 168 1HG PRO 24 2HG PRO 24 8.857 9.366 -3.393 169 2HG PRO 24 1HG PRO 24 8.691 10.806 -4.416 170 1HD PRO 24 2HD PRO 24 9.037 10.621 -1.444 171 2HD PRO 24 1HD PRO 24 9.788 11.744 -2.599 172 H ALA 25 H ALA 25 3.967 11.418 -2.501 173 HA ALA 25 HA ALA 25 3.418 11.551 0.221 174 1HB ALA 25 1HB ALA 25 1.722 11.813 -1.529 175 2HB ALA 25 2HB ALA 25 1.230 10.622 -0.326 176 3HB ALA 25 3HB ALA 25 1.831 10.092 -1.896 177 H GLU 26 H GLU 26 2.348 9.689 1.492 178 HA GLU 26 HA GLU 26 3.381 7.048 0.947 179 1HB GLU 26 2HB GLU 26 4.346 8.582 3.366 180 2HB GLU 26 1HB GLU 26 4.605 6.865 3.091 181 1HG GLU 26 2HG GLU 26 5.849 7.435 1.025 182 2HG GLU 26 1HG GLU 26 5.677 9.139 1.441 183 H LEU 27 H LEU 27 2.652 5.445 2.526 184 HA LEU 27 HA LEU 27 0.213 6.307 3.941 185 1HB LEU 27 2HB LEU 27 -0.228 4.951 1.906 186 2HB LEU 27 1HB LEU 27 0.710 3.645 2.605 187 HG LEU 27 HG LEU 27 -1.672 4.736 4.060 188 1HD1 LEU 27 1HD1 LEU 27 -1.642 2.861 1.722 189 2HD1 LEU 27 2HD1 LEU 27 -2.688 4.249 2.019 190 3HD1 LEU 27 3HD1 LEU 27 -2.898 2.773 2.959 191 1HD2 LEU 27 1HD2 LEU 27 -0.476 3.287 5.421 192 2HD2 LEU 27 2HD2 LEU 27 -0.052 2.219 4.083 193 3HD2 LEU 27 3HD2 LEU 27 -1.700 2.239 4.708 194 H THR 28 H THR 28 0.528 6.207 6.073 195 HA THR 28 HA THR 28 2.536 4.502 7.208 196 HB THR 28 HB THR 28 0.791 6.015 8.994 197 HG1 THR 28 HG1 THR 28 2.271 7.417 7.033 198 1HG2 THR 28 1HG2 THR 28 3.717 6.255 8.423 199 2HG2 THR 28 2HG2 THR 28 3.009 5.184 9.630 200 3HG2 THR 28 3HG2 THR 28 2.855 6.933 9.802 201 H TRP 29 H TRP 29 2.173 2.910 8.746 202 HA TRP 29 HA TRP 29 -0.586 2.037 9.176 203 1HB TRP 29 2HB TRP 29 0.375 0.586 7.449 204 2HB TRP 29 1HB TRP 29 1.753 0.242 8.493 205 HD1 TRP 29 HD1 TRP 29 -2.061 0.103 9.134 206 HE1 TRP 29 HE1 TRP 29 -2.622 -2.193 10.174 207 HE3 TRP 29 HE3 TRP 29 2.622 -1.946 9.161 208 HZ2 TRP 29 HZ2 TRP 29 -1.256 -4.527 10.904 209 HZ3 TRP 29 HZ3 TRP 29 2.905 -4.225 10.055 210 HH2 TRP 29 HH2 TRP 29 0.992 -5.493 10.906 211 H ARG 30 H ARG 30 -0.900 2.301 11.291 212 HA ARG 30 HA ARG 30 1.309 1.634 13.121 213 1HB ARG 30 2HB ARG 30 -1.152 3.350 13.486 214 2HB ARG 30 1HB ARG 30 -0.118 2.871 14.824 215 1HG ARG 30 2HG ARG 30 1.765 4.014 13.812 216 2HG ARG 30 1HG ARG 30 0.772 4.452 12.421 217 1HD ARG 30 2HD ARG 30 0.286 5.309 15.274 218 2HD ARG 30 1HD ARG 30 0.999 6.307 14.010 219 HE ARG 30 HE ARG 30 -1.090 6.580 13.059 220 1HH1 ARG 30 1HH1 ARG 30 -1.257 4.255 15.662 221 2HH1 ARG 30 2HH1 ARG 30 -2.986 4.256 15.715 222 1HH2 ARG 30 1HH2 ARG 30 -3.363 6.579 13.134 223 2HH2 ARG 30 2HH2 ARG 30 -4.182 5.572 14.283 224 H SER 31 H SER 31 1.159 -0.160 14.357 225 HA SER 31 HA SER 31 -0.893 -2.021 13.983 226 1HB SER 31 2HB SER 31 0.128 -3.226 15.908 227 2HB SER 31 1HB SER 31 1.315 -2.723 14.704 228 HG SER 31 HG SER 31 1.774 -2.304 17.034 229 H THR 32 H THR 32 -2.315 -2.917 15.660 230 HA THR 32 HA THR 32 -4.063 -1.005 16.688 231 HB THR 32 HB THR 32 -3.665 -3.931 16.851 232 HG1 THR 32 HG1 THR 32 -5.655 -3.937 15.961 233 1HG2 THR 32 1HG2 THR 32 -5.559 -4.212 18.392 234 2HG2 THR 32 2HG2 THR 32 -5.451 -2.495 18.779 235 3HG2 THR 32 3HG2 THR 32 -4.103 -3.570 19.149 236 H ASP 33 H ASP 33 -1.331 -2.664 18.015 237 HA ASP 33 HA ASP 33 -1.786 -1.939 20.730 238 1HB ASP 33 2HB ASP 33 0.696 -2.927 19.327 239 2HB ASP 33 1HB ASP 33 0.571 -2.702 21.069 240 H GLY 34 H GLY 34 -0.086 -0.531 18.052 241 1HA GLY 34 2HA GLY 34 0.532 1.696 17.784 242 2HA GLY 34 1HA GLY 34 0.131 1.982 19.472 243 H ASP 35 H ASP 35 2.191 -0.653 18.591 244 HA ASP 35 HA ASP 35 4.459 0.782 19.781 245 1HB ASP 35 2HB ASP 35 3.860 -2.177 19.663 246 2HB ASP 35 1HB ASP 35 5.372 -1.504 20.263 247 H LYS 36 H LYS 36 3.309 -0.758 16.942 248 HA LYS 36 HA LYS 36 5.964 -0.441 15.712 249 1HB LYS 36 2HB LYS 36 4.215 -2.774 15.789 250 2HB LYS 36 1HB LYS 36 4.660 -2.322 14.150 251 1HG LYS 36 2HG LYS 36 7.041 -2.354 14.846 252 2HG LYS 36 1HG LYS 36 6.528 -2.961 16.422 253 1HD LYS 36 2HD LYS 36 5.458 -4.885 15.265 254 2HD LYS 36 1HD LYS 36 6.142 -4.301 13.747 255 1HE LYS 36 2HE LYS 36 8.358 -4.662 14.502 256 2HE LYS 36 1HE LYS 36 7.825 -4.916 16.163 257 1HZ LYS 36 1HZ LYS 36 6.485 -6.849 14.996 258 2HZ LYS 36 2HZ LYS 36 8.080 -7.059 15.517 259 3HZ LYS 36 3HZ LYS 36 7.760 -6.744 13.886 260 H VAL 37 H VAL 37 6.021 0.903 14.041 261 HA VAL 37 HA VAL 37 3.496 1.504 12.642 262 HB VAL 37 HB VAL 37 5.698 3.500 13.172 263 1HG1 VAL 37 1HG1 VAL 37 3.928 5.123 12.482 264 2HG1 VAL 37 2HG1 VAL 37 2.934 3.748 12.000 265 3HG1 VAL 37 3HG1 VAL 37 4.473 4.048 11.194 266 1HG2 VAL 37 1HG2 VAL 37 3.339 2.716 14.770 267 2HG2 VAL 37 2HG2 VAL 37 3.634 4.446 14.597 268 3HG2 VAL 37 3HG2 VAL 37 4.881 3.402 15.282 269 H HIS 38 H HIS 38 3.557 1.028 10.564 270 HA HIS 38 HA HIS 38 6.180 0.880 9.229 271 1HB HIS 38 2HB HIS 38 4.944 -1.239 9.279 272 2HB HIS 38 1HB HIS 38 3.597 -0.465 8.456 273 HD1 HIS 38 HD1 HIS 38 6.387 -2.536 7.758 274 HD2 HIS 38 HD2 HIS 38 4.576 0.660 5.817 275 HE1 HIS 38 HE1 HIS 38 7.128 -2.698 5.360 276 HE2 HIS 38 HE2 HIS 38 5.956 -0.801 4.189 277 H THR 39 H THR 39 6.526 1.869 7.320 278 HA THR 39 HA THR 39 4.443 3.755 6.429 279 HB THR 39 HB THR 39 7.412 4.126 6.063 280 HG1 THR 39 HG1 THR 39 5.726 5.001 8.159 281 1HG2 THR 39 1HG2 THR 39 6.853 6.474 5.784 282 2HG2 THR 39 2HG2 THR 39 5.141 6.094 5.969 283 3HG2 THR 39 3HG2 THR 39 6.036 5.475 4.581 284 H VAL 40 H VAL 40 3.802 3.687 4.363 285 HA VAL 40 HA VAL 40 5.266 1.891 2.540 286 HB VAL 40 HB VAL 40 2.333 2.588 2.402 287 1HG1 VAL 40 1HG1 VAL 40 2.148 1.106 0.660 288 2HG1 VAL 40 2HG1 VAL 40 3.582 0.197 1.136 289 3HG1 VAL 40 3HG1 VAL 40 3.753 1.772 0.360 290 1HG2 VAL 40 1HG2 VAL 40 3.086 1.279 4.462 291 2HG2 VAL 40 2HG2 VAL 40 3.447 -0.036 3.343 292 3HG2 VAL 40 3HG2 VAL 40 1.799 0.577 3.480 293 H VAL 41 H VAL 41 5.782 2.583 0.516 294 HA VAL 41 HA VAL 41 5.475 5.439 0.005 295 HB VAL 41 HB VAL 41 7.058 3.424 -1.596 296 1HG1 VAL 41 1HG1 VAL 41 6.568 6.303 -1.801 297 2HG1 VAL 41 2HG1 VAL 41 7.126 5.155 -3.018 298 3HG1 VAL 41 3HG1 VAL 41 8.272 5.853 -1.873 299 1HG2 VAL 41 1HG2 VAL 41 7.577 4.057 0.999 300 2HG2 VAL 41 2HG2 VAL 41 8.510 5.287 0.148 301 3HG2 VAL 41 3HG2 VAL 41 8.798 3.577 -0.181 302 H LEU 42 H LEU 42 3.987 6.211 -1.334 303 HA LEU 42 HA LEU 42 2.391 4.370 -2.911 304 1HB LEU 42 2HB LEU 42 2.038 7.350 -2.714 305 2HB LEU 42 1HB LEU 42 0.843 6.151 -3.168 306 HG LEU 42 HG LEU 42 1.986 6.630 -0.418 307 1HD1 LEU 42 1HD1 LEU 42 -0.091 7.869 -1.701 308 2HD1 LEU 42 2HD1 LEU 42 0.110 7.746 0.048 309 3HD1 LEU 42 3HD1 LEU 42 -0.904 6.583 -0.807 310 1HD2 LEU 42 1HD2 LEU 42 0.703 4.260 -1.575 311 2HD2 LEU 42 2HD2 LEU 42 -0.028 4.834 -0.076 312 3HD2 LEU 42 3HD2 LEU 42 1.687 4.425 -0.121 313 H SER 43 H SER 43 5.109 6.310 -3.433 314 HA SER 43 HA SER 43 4.537 7.024 -6.159 315 1HB SER 43 2HB SER 43 6.769 7.926 -6.212 316 2HB SER 43 1HB SER 43 6.057 8.345 -4.654 317 HG SER 43 HG SER 43 7.722 7.394 -3.816 318 H THR 44 H THR 44 6.038 4.375 -4.482 319 HA THR 44 HA THR 44 7.273 3.303 -6.853 320 HB THR 44 HB THR 44 8.289 2.985 -4.624 321 HG1 THR 44 HG1 THR 44 9.017 1.078 -5.182 322 1HG2 THR 44 1HG2 THR 44 7.344 1.929 -2.883 323 2HG2 THR 44 2HG2 THR 44 6.431 0.821 -3.907 324 3HG2 THR 44 3HG2 THR 44 5.851 2.467 -3.649 325 H ILE 45 H ILE 45 4.223 3.111 -5.313 326 HA ILE 45 HA ILE 45 3.390 0.551 -6.155 327 HB ILE 45 HB ILE 45 1.616 2.959 -5.749 328 1HG1 ILE 45 2HG1 ILE 45 3.040 2.709 -3.798 329 2HG1 ILE 45 1HG1 ILE 45 1.412 2.169 -3.405 330 1HG2 ILE 45 1HG2 ILE 45 -0.157 1.520 -5.584 331 2HG2 ILE 45 2HG2 ILE 45 0.850 0.161 -5.087 332 3HG2 ILE 45 3HG2 ILE 45 0.830 0.673 -6.774 333 1HD1 ILE 45 1HD1 ILE 45 2.562 0.460 -2.486 334 2HD1 ILE 45 2HD1 ILE 45 3.928 0.641 -3.585 335 3HD1 ILE 45 3HD1 ILE 45 2.460 -0.170 -4.129 336 H ASP 46 H ASP 46 3.868 0.156 -8.289 337 HA ASP 46 HA ASP 46 3.355 1.920 -10.422 338 1HB ASP 46 2HB ASP 46 4.887 -0.049 -10.525 339 2HB ASP 46 1HB ASP 46 3.475 -1.101 -10.531 340 H LYS 47 H LYS 47 1.351 -0.375 -8.727 341 HA LYS 47 HA LYS 47 -1.014 0.705 -9.951 342 1HB LYS 47 2HB LYS 47 -0.053 -2.057 -10.628 343 2HB LYS 47 1HB LYS 47 -1.774 -1.698 -10.595 344 1HG LYS 47 2HG LYS 47 -1.495 -1.157 -12.740 345 2HG LYS 47 1HG LYS 47 -0.821 0.348 -12.114 346 1HD LYS 47 2HD LYS 47 0.866 -0.295 -13.524 347 2HD LYS 47 1HD LYS 47 1.397 -1.070 -12.031 348 1HE LYS 47 2HE LYS 47 -0.432 -2.657 -13.708 349 2HE LYS 47 1HE LYS 47 1.156 -2.340 -14.409 350 1HZ LYS 47 1HZ LYS 47 1.615 -4.214 -13.239 351 2HZ LYS 47 2HZ LYS 47 0.445 -3.920 -12.054 352 3HZ LYS 47 3HZ LYS 47 1.914 -3.084 -12.014 353 H LEU 48 H LEU 48 -3.006 -0.359 -9.058 354 HA LEU 48 HA LEU 48 -2.512 -1.581 -6.432 355 1HB LEU 48 2HB LEU 48 -4.126 -0.188 -5.369 356 2HB LEU 48 1HB LEU 48 -2.991 0.853 -6.207 357 HG LEU 48 HG LEU 48 -5.702 0.110 -7.303 358 1HD1 LEU 48 1HD1 LEU 48 -6.655 1.875 -6.276 359 2HD1 LEU 48 2HD1 LEU 48 -5.183 2.845 -6.336 360 3HD1 LEU 48 3HD1 LEU 48 -5.374 1.606 -5.095 361 1HD2 LEU 48 1HD2 LEU 48 -4.989 2.440 -8.468 362 2HD2 LEU 48 2HD2 LEU 48 -4.678 0.851 -9.168 363 3HD2 LEU 48 3HD2 LEU 48 -3.408 1.683 -8.269 364 H GLN 49 H GLN 49 -3.676 -3.359 -6.070 365 HA GLN 49 HA GLN 49 -6.090 -3.801 -7.699 366 1HB GLN 49 2HB GLN 49 -3.948 -5.801 -6.964 367 2HB GLN 49 1HB GLN 49 -5.494 -6.233 -7.683 368 1HG GLN 49 2HG GLN 49 -4.959 -4.940 -9.665 369 2HG GLN 49 1HG GLN 49 -3.433 -4.436 -8.941 370 1HE2 GLN 49 1HE2 GLN 49 -3.530 -5.690 -11.388 371 2HE2 GLN 49 2HE2 GLN 49 -2.821 -7.261 -11.256 372 H ALA 50 H ALA 50 -7.745 -5.064 -6.747 373 HA ALA 50 HA ALA 50 -7.500 -5.598 -3.878 374 1HB ALA 50 1HB ALA 50 -10.067 -4.396 -4.661 375 2HB ALA 50 2HB ALA 50 -8.682 -3.305 -4.690 376 3HB ALA 50 3HB ALA 50 -9.098 -4.163 -3.206 377 H THR 51 H THR 51 -9.366 -6.887 -3.051 378 HA THR 51 HA THR 51 -9.813 -9.124 -4.750 379 HB THR 51 HB THR 51 -11.404 -9.788 -2.821 380 HG1 THR 51 HG1 THR 51 -11.789 -7.932 -1.777 381 1HG2 THR 51 1HG2 THR 51 -9.592 -10.968 -2.341 382 2HG2 THR 51 2HG2 THR 51 -9.145 -9.656 -1.250 383 3HG2 THR 51 3HG2 THR 51 -8.515 -9.688 -2.897 384 HA PRO 52 HA PRO 52 -13.537 -7.899 -6.783 385 1HB PRO 52 2HB PRO 52 -14.647 -10.325 -7.276 386 2HB PRO 52 1HB PRO 52 -13.242 -9.717 -8.158 387 1HG PRO 52 2HG PRO 52 -13.351 -11.632 -5.859 388 2HG PRO 52 1HG PRO 52 -12.376 -11.714 -7.339 389 1HD PRO 52 2HD PRO 52 -11.363 -10.868 -4.976 390 2HD PRO 52 1HD PRO 52 -10.804 -10.231 -6.536 391 H ALA 53 H ALA 53 -15.835 -7.842 -6.565 392 HA ALA 53 HA ALA 53 -16.746 -7.736 -3.902 393 1HB ALA 53 1HB ALA 53 -17.901 -7.295 -6.571 394 2HB ALA 53 2HB ALA 53 -18.015 -6.319 -5.106 395 3HB ALA 53 3HB ALA 53 -19.053 -7.732 -5.308 396 H SER 54 H SER 54 -16.519 -10.350 -6.096 397 HA SER 54 HA SER 54 -18.606 -11.906 -4.802 398 1HB SER 54 2HB SER 54 -16.707 -12.540 -7.067 399 2HB SER 54 1HB SER 54 -17.896 -13.680 -6.436 400 HG SER 54 HG SER 54 -18.522 -11.108 -7.461 401 H SER 55 H SER 55 -15.531 -11.125 -3.994 402 HA SER 55 HA SER 55 -14.924 -13.766 -2.859 403 1HB SER 55 2HB SER 55 -13.194 -11.408 -3.573 404 2HB SER 55 1HB SER 55 -12.629 -12.647 -2.454 405 HG SER 55 HG SER 55 -12.054 -13.614 -4.235 406 H GLU 56 H GLU 56 -15.610 -13.997 -0.850 407 HA GLU 56 HA GLU 56 -16.413 -11.955 0.864 408 1HB GLU 56 2HB GLU 56 -17.032 -14.352 1.098 409 2HB GLU 56 1HB GLU 56 -15.399 -14.691 1.653 410 1HG GLU 56 2HG GLU 56 -15.766 -13.158 3.553 411 2HG GLU 56 1HG GLU 56 -17.430 -12.938 3.016 412 H LYS 57 H LYS 57 -13.271 -13.040 0.066 413 HA LYS 57 HA LYS 57 -12.032 -12.030 2.485 414 1HB LYS 57 2HB LYS 57 -10.852 -13.130 -0.071 415 2HB LYS 57 1HB LYS 57 -9.904 -12.631 1.323 416 1HG LYS 57 2HG LYS 57 -11.097 -14.323 2.682 417 2HG LYS 57 1HG LYS 57 -11.917 -14.868 1.218 418 1HD LYS 57 2HD LYS 57 -9.703 -15.339 0.208 419 2HD LYS 57 1HD LYS 57 -8.945 -14.900 1.740 420 1HE LYS 57 2HE LYS 57 -11.103 -16.897 1.912 421 2HE LYS 57 1HE LYS 57 -9.652 -17.420 1.059 422 1HZ LYS 57 1HZ LYS 57 -9.468 -17.951 3.380 423 2HZ LYS 57 2HZ LYS 57 -9.777 -16.348 3.825 424 3HZ LYS 57 3HZ LYS 57 -8.349 -16.739 3.008 425 H MET 58 H MET 58 -12.494 -9.838 2.511 426 HA MET 58 HA MET 58 -11.925 -8.163 0.242 427 1HB MET 58 2HB MET 58 -12.559 -6.313 1.707 428 2HB MET 58 1HB MET 58 -13.742 -7.610 1.795 429 1HG MET 58 2HG MET 58 -12.381 -8.378 3.858 430 2HG MET 58 1HG MET 58 -11.744 -6.733 3.832 431 1HE MET 58 1HE MET 58 -16.192 -7.820 4.394 432 2HE MET 58 2HE MET 58 -14.889 -9.007 4.450 433 3HE MET 58 3HE MET 58 -15.273 -8.190 2.934 434 H MET 59 H MET 59 -9.840 -7.969 -0.315 435 HA MET 59 HA MET 59 -8.008 -6.834 1.653 436 1HB MET 59 2HB MET 59 -7.313 -9.263 -0.009 437 2HB MET 59 1HB MET 59 -6.214 -8.396 1.054 438 1HG MET 59 2HG MET 59 -7.696 -8.976 2.960 439 2HG MET 59 1HG MET 59 -8.651 -9.965 1.856 440 1HE MET 59 1HE MET 59 -6.677 -12.478 4.150 441 2HE MET 59 2HE MET 59 -8.180 -12.422 3.230 442 3HE MET 59 3HE MET 59 -7.782 -11.117 4.347 443 H LEU 60 H LEU 60 -6.466 -5.480 0.784 444 HA LEU 60 HA LEU 60 -6.658 -5.035 -2.125 445 1HB LEU 60 2HB LEU 60 -7.564 -3.201 -0.726 446 2HB LEU 60 1HB LEU 60 -5.992 -3.028 0.030 447 HG LEU 60 HG LEU 60 -5.177 -2.659 -2.443 448 1HD1 LEU 60 1HD1 LEU 60 -6.925 -2.874 -3.854 449 2HD1 LEU 60 2HD1 LEU 60 -7.203 -1.190 -3.412 450 3HD1 LEU 60 3HD1 LEU 60 -8.115 -2.473 -2.617 451 1HD2 LEU 60 1HD2 LEU 60 -6.674 -0.316 -1.456 452 2HD2 LEU 60 2HD2 LEU 60 -4.973 -0.478 -1.889 453 3HD2 LEU 60 3HD2 LEU 60 -5.543 -1.055 -0.323 454 H ARG 61 H ARG 61 -4.874 -5.388 -3.263 455 HA ARG 61 HA ARG 61 -2.294 -5.462 -1.841 456 1HB ARG 61 2HB ARG 61 -1.606 -6.915 -3.848 457 2HB ARG 61 1HB ARG 61 -2.654 -7.635 -2.632 458 1HG ARG 61 2HG ARG 61 -4.510 -7.590 -4.019 459 2HG ARG 61 1HG ARG 61 -3.818 -6.350 -5.067 460 1HD ARG 61 2HD ARG 61 -3.715 -8.372 -6.286 461 2HD ARG 61 1HD ARG 61 -2.074 -8.053 -5.724 462 HE ARG 61 HE ARG 61 -2.179 -9.944 -4.433 463 1HH1 ARG 61 1HH1 ARG 61 -5.394 -9.124 -5.517 464 2HH1 ARG 61 2HH1 ARG 61 -6.098 -10.601 -4.948 465 1HH2 ARG 61 1HH2 ARG 61 -3.104 -11.887 -3.683 466 2HH2 ARG 61 2HH2 ARG 61 -4.798 -12.169 -3.907 467 H LEU 62 H LEU 62 -0.619 -4.273 -2.560 468 HA LEU 62 HA LEU 62 -1.075 -2.646 -4.975 469 1HB LEU 62 2HB LEU 62 -0.374 -1.896 -2.265 470 2HB LEU 62 1HB LEU 62 0.822 -1.321 -3.411 471 HG LEU 62 HG LEU 62 -1.068 -0.290 -4.723 472 1HD1 LEU 62 1HD1 LEU 62 -2.870 -1.663 -3.783 473 2HD1 LEU 62 2HD1 LEU 62 -3.183 0.063 -3.589 474 3HD1 LEU 62 3HD1 LEU 62 -2.628 -0.893 -2.215 475 1HD2 LEU 62 1HD2 LEU 62 -1.272 1.022 -2.117 476 2HD2 LEU 62 2HD2 LEU 62 -0.663 1.636 -3.654 477 3HD2 LEU 62 3HD2 LEU 62 0.383 0.670 -2.614 478 H ILE 63 H ILE 63 0.370 -2.797 -6.544 479 HA ILE 63 HA ILE 63 2.752 -4.429 -6.099 480 HB ILE 63 HB ILE 63 1.691 -3.373 -8.721 481 1HG1 ILE 63 2HG1 ILE 63 0.950 -5.873 -8.899 482 2HG1 ILE 63 1HG1 ILE 63 1.023 -5.835 -7.139 483 1HG2 ILE 63 1HG2 ILE 63 3.991 -4.986 -7.928 484 2HG2 ILE 63 2HG2 ILE 63 3.688 -4.099 -9.421 485 3HG2 ILE 63 3HG2 ILE 63 3.021 -5.718 -9.207 486 1HD1 ILE 63 1HD1 ILE 63 -0.752 -4.396 -6.963 487 2HD1 ILE 63 2HD1 ILE 63 -1.208 -5.343 -8.381 488 3HD1 ILE 63 3HD1 ILE 63 -0.515 -3.732 -8.579 489 H GLY 64 H GLY 64 4.783 -3.662 -6.154 490 1HA GLY 64 2HA GLY 64 5.104 -0.770 -6.606 491 2HA GLY 64 1HA GLY 64 6.167 -1.768 -5.628 492 H LYS 65 H LYS 65 5.076 -1.288 -8.969 493 HA LYS 65 HA LYS 65 6.120 -1.530 -10.969 494 1HB LYS 65 2HB LYS 65 8.132 -0.456 -9.113 495 2HB LYS 65 1HB LYS 65 8.786 -1.170 -10.582 496 1HG LYS 65 2HG LYS 65 7.515 0.318 -11.950 497 2HG LYS 65 1HG LYS 65 6.629 0.926 -10.550 498 1HD LYS 65 2HD LYS 65 8.688 1.867 -9.641 499 2HD LYS 65 1HD LYS 65 9.596 1.227 -11.013 500 1HE LYS 65 2HE LYS 65 8.845 2.827 -12.429 501 2HE LYS 65 1HE LYS 65 7.262 2.920 -11.656 502 1HZ LYS 65 1HZ LYS 65 8.131 4.278 -9.948 503 2HZ LYS 65 2HZ LYS 65 8.709 4.927 -11.397 504 3HZ LYS 65 3HZ LYS 65 9.730 4.000 -10.420 505 H VAL 66 H VAL 66 7.795 -2.773 -12.208 506 HA VAL 66 HA VAL 66 8.548 -5.273 -10.857 507 HB VAL 66 HB VAL 66 7.323 -5.160 -13.615 508 1HG1 VAL 66 1HG1 VAL 66 7.444 -7.685 -12.110 509 2HG1 VAL 66 2HG1 VAL 66 9.000 -7.036 -12.624 510 3HG1 VAL 66 3HG1 VAL 66 7.745 -7.362 -13.817 511 1HG2 VAL 66 1HG2 VAL 66 6.105 -5.940 -10.971 512 2HG2 VAL 66 2HG2 VAL 66 5.389 -6.317 -12.538 513 3HG2 VAL 66 3HG2 VAL 66 5.596 -4.636 -12.046 514 H ASP 67 H ASP 67 10.504 -6.089 -11.417 515 HA ASP 67 HA ASP 67 12.253 -4.408 -12.963 516 1HB ASP 67 2HB ASP 67 12.708 -7.053 -11.568 517 2HB ASP 67 1HB ASP 67 13.975 -6.133 -12.376 518 H GLU 68 H GLU 68 11.799 -4.460 -15.107 519 HA GLU 68 HA GLU 68 11.833 -7.097 -16.422 520 1HB GLU 68 2HB GLU 68 10.514 -4.541 -17.353 521 2HB GLU 68 1HB GLU 68 10.541 -6.054 -18.248 522 1HG GLU 68 2HG GLU 68 9.304 -7.130 -16.408 523 2HG GLU 68 1HG GLU 68 9.221 -5.571 -15.586 524 H SER 69 H SER 69 14.203 -5.753 -15.735 525 HA SER 69 HA SER 69 15.169 -4.507 -18.187 526 1HB SER 69 2HB SER 69 16.448 -4.920 -15.479 527 2HB SER 69 1HB SER 69 17.278 -4.182 -16.848 528 HG SER 69 HG SER 69 15.865 -2.492 -16.793 529 H LYS 70 H LYS 70 14.578 -7.529 -17.628 530 HA LYS 70 HA LYS 70 17.201 -8.612 -18.350 531 1HB LYS 70 2HB LYS 70 14.641 -9.938 -17.455 532 2HB LYS 70 1HB LYS 70 16.053 -10.833 -17.998 533 1HG LYS 70 2HG LYS 70 17.372 -9.890 -16.187 534 2HG LYS 70 1HG LYS 70 15.980 -8.942 -15.654 535 1HD LYS 70 2HD LYS 70 16.142 -10.888 -14.262 536 2HD LYS 70 1HD LYS 70 14.742 -11.080 -15.318 537 1HE LYS 70 2HE LYS 70 17.312 -12.155 -16.308 538 2HE LYS 70 1HE LYS 70 16.573 -12.999 -14.947 539 1HZ LYS 70 1HZ LYS 70 14.472 -12.725 -16.542 540 2HZ LYS 70 2HZ LYS 70 15.503 -14.065 -16.599 541 3HZ LYS 70 3HZ LYS 70 15.694 -12.805 -17.711 542 H LYS 71 H LYS 71 13.863 -8.434 -19.497 543 HA LYS 71 HA LYS 71 12.921 -8.772 -21.539 544 1HB LYS 71 2HB LYS 71 15.743 -8.081 -22.346 545 2HB LYS 71 1HB LYS 71 14.468 -8.362 -23.525 546 1HG LYS 71 2HG LYS 71 13.655 -6.317 -23.254 547 2HG LYS 71 1HG LYS 71 13.618 -6.492 -21.498 548 1HD LYS 71 2HD LYS 71 15.055 -4.639 -22.124 549 2HD LYS 71 1HD LYS 71 16.014 -5.938 -21.413 550 1HE LYS 71 2HE LYS 71 17.134 -5.033 -23.368 551 2HE LYS 71 1HE LYS 71 16.633 -6.698 -23.662 552 1HZ LYS 71 1HZ LYS 71 14.723 -5.870 -24.886 553 2HZ LYS 71 2HZ LYS 71 16.158 -5.282 -25.559 554 3HZ LYS 71 3HZ LYS 71 15.199 -4.272 -24.599 555 H ARG 72 H ARG 72 12.247 -10.816 -21.721 556 HA ARG 72 HA ARG 72 12.168 -13.001 -22.334 557 1HB ARG 72 2HB ARG 72 14.026 -11.757 -24.142 558 2HB ARG 72 1HB ARG 72 14.531 -13.410 -23.818 559 1HG ARG 72 2HG ARG 72 12.434 -14.270 -24.568 560 2HG ARG 72 1HG ARG 72 11.755 -12.647 -24.692 561 1HD ARG 72 2HD ARG 72 12.320 -13.324 -26.895 562 2HD ARG 72 1HD ARG 72 13.533 -12.145 -26.395 563 HE ARG 72 HE ARG 72 14.660 -14.520 -25.742 564 1HH1 ARG 72 1HH1 ARG 72 13.255 -13.262 -28.679 565 2HH1 ARG 72 2HH1 ARG 72 14.272 -14.202 -29.717 566 1HH2 ARG 72 1HH2 ARG 72 15.999 -15.757 -27.106 567 2HH2 ARG 72 2HH2 ARG 72 15.830 -15.620 -28.824 568 H LYS 73 H LYS 73 12.613 -14.760 -21.180 569 HA LYS 73 HA LYS 73 15.040 -14.764 -19.547 570 1HB LYS 73 2HB LYS 73 12.515 -16.416 -19.362 571 2HB LYS 73 1HB LYS 73 13.890 -16.571 -18.276 572 1HG LYS 73 2HG LYS 73 13.571 -14.212 -17.604 573 2HG LYS 73 1HG LYS 73 12.128 -14.154 -18.618 574 1HD LYS 73 2HD LYS 73 11.185 -16.027 -17.288 575 2HD LYS 73 1HD LYS 73 12.591 -15.932 -16.226 576 1HE LYS 73 2HE LYS 73 11.285 -14.546 -15.027 577 2HE LYS 73 1HE LYS 73 11.788 -13.351 -16.222 578 1HZ LYS 73 1HZ LYS 73 9.787 -13.586 -17.390 579 2HZ LYS 73 2HZ LYS 73 9.325 -13.541 -15.764 580 3HZ LYS 73 3HZ LYS 73 9.369 -15.016 -16.588 581 H ASP 74 H ASP 74 16.473 -16.490 -19.492 582 HA ASP 74 HA ASP 74 16.945 -17.815 -21.923 583 1HB ASP 74 2HB ASP 74 18.043 -18.317 -19.155 584 2HB ASP 74 1HB ASP 74 18.639 -19.123 -20.603 585 H ASN 75 H ASN 75 15.108 -18.684 -19.130 586 HA ASN 75 HA ASN 75 13.616 -20.363 -18.759 587 1HB ASN 75 2HB ASN 75 14.302 -21.335 -21.532 588 2HB ASN 75 1HB ASN 75 12.897 -21.790 -20.577 589 1HD2 ASN 75 1HD2 ASN 75 13.461 -20.285 -23.209 590 2HD2 ASN 75 2HD2 ASN 75 12.417 -18.912 -23.103 591 H GLU 76 H GLU 76 16.844 -20.731 -19.068 592 HA GLU 76 HA GLU 76 16.982 -23.608 -18.827 593 1HB GLU 76 2HB GLU 76 18.738 -22.254 -19.990 594 2HB GLU 76 1HB GLU 76 19.180 -21.572 -18.431 595 1HG GLU 76 2HG GLU 76 19.713 -23.839 -17.624 596 2HG GLU 76 1HG GLU 76 19.350 -24.468 -19.230 597 H GLY 77 H GLY 77 15.365 -23.058 -16.887 598 1HA GLY 77 2HA GLY 77 15.291 -23.822 -14.648 599 2HA GLY 77 1HA GLY 77 16.991 -23.415 -14.479 600 H ASN 78 H ASN 78 16.431 -20.743 -15.765 601 HA ASN 78 HA ASN 78 15.518 -19.433 -13.310 602 1HB ASN 78 2HB ASN 78 16.599 -17.421 -14.198 603 2HB ASN 78 1HB ASN 78 17.724 -18.776 -14.172 604 1HD2 ASN 78 1HD2 ASN 78 18.824 -17.282 -15.703 605 2HD2 ASN 78 2HD2 ASN 78 18.434 -17.428 -17.380 606 H GLU 79 H GLU 79 13.670 -20.644 -15.236 607 HA GLU 79 HA GLU 79 12.448 -18.751 -16.892 608 1HB GLU 79 2HB GLU 79 11.999 -21.190 -16.955 609 2HB GLU 79 1HB GLU 79 11.123 -21.046 -15.438 610 1HG GLU 79 2HG GLU 79 9.540 -19.506 -16.541 611 2HG GLU 79 1HG GLU 79 10.389 -19.770 -18.063 612 H VAL 80 H VAL 80 12.004 -19.464 -13.471 613 HA VAL 80 HA VAL 80 10.488 -16.963 -13.214 614 HB VAL 80 HB VAL 80 9.005 -18.023 -11.537 615 1HG1 VAL 80 1HG1 VAL 80 7.565 -19.176 -13.129 616 2HG1 VAL 80 2HG1 VAL 80 8.911 -19.317 -14.260 617 3HG1 VAL 80 3HG1 VAL 80 8.265 -17.728 -13.851 618 1HG2 VAL 80 1HG2 VAL 80 10.692 -20.358 -12.182 619 2HG2 VAL 80 2HG2 VAL 80 8.968 -20.669 -11.987 620 3HG2 VAL 80 3HG2 VAL 80 9.883 -19.923 -10.678 621 H VAL 81 H VAL 81 10.980 -15.755 -11.449 622 HA VAL 81 HA VAL 81 12.335 -16.869 -9.168 623 HB VAL 81 HB VAL 81 14.285 -15.248 -9.401 624 1HG1 VAL 81 1HG1 VAL 81 15.620 -16.891 -10.308 625 2HG1 VAL 81 2HG1 VAL 81 14.429 -17.334 -11.532 626 3HG1 VAL 81 3HG1 VAL 81 14.190 -17.818 -9.852 627 1HG2 VAL 81 1HG2 VAL 81 14.910 -14.547 -11.626 628 2HG2 VAL 81 2HG2 VAL 81 13.298 -13.937 -11.252 629 3HG2 VAL 81 3HG2 VAL 81 13.488 -15.335 -12.310 630 HA PRO 82 HA PRO 82 10.312 -13.423 -7.281 631 1HB PRO 82 2HB PRO 82 11.763 -13.187 -5.000 632 2HB PRO 82 1HB PRO 82 10.614 -14.503 -5.273 633 1HG PRO 82 2HG PRO 82 13.594 -14.497 -5.573 634 2HG PRO 82 1HG PRO 82 12.543 -15.728 -4.846 635 1HD PRO 82 2HD PRO 82 13.535 -15.955 -7.355 636 2HD PRO 82 1HD PRO 82 11.952 -16.612 -6.891 637 H LYS 83 H LYS 83 10.506 -11.207 -6.971 638 HA LYS 83 HA LYS 83 12.867 -9.761 -6.687 639 1HB LYS 83 2HB LYS 83 12.303 -10.603 -9.424 640 2HB LYS 83 1HB LYS 83 12.454 -8.858 -9.274 641 1HG LYS 83 2HG LYS 83 14.603 -9.614 -7.859 642 2HG LYS 83 1HG LYS 83 14.486 -10.971 -8.981 643 1HD LYS 83 2HD LYS 83 14.200 -9.065 -10.762 644 2HD LYS 83 1HD LYS 83 15.003 -8.086 -9.534 645 1HE LYS 83 2HE LYS 83 16.799 -9.842 -9.460 646 2HE LYS 83 1HE LYS 83 16.038 -10.580 -10.868 647 1HZ LYS 83 1HZ LYS 83 17.658 -9.226 -11.779 648 2HZ LYS 83 2HZ LYS 83 17.414 -7.980 -10.662 649 3HZ LYS 83 3HZ LYS 83 16.281 -8.250 -11.887 650 HA PRO 84 HA PRO 84 9.246 -6.815 -8.306 651 1HB PRO 84 2HB PRO 84 7.064 -8.831 -8.088 652 2HB PRO 84 1HB PRO 84 7.267 -7.512 -9.247 653 1HG PRO 84 2HG PRO 84 7.731 -10.029 -9.968 654 2HG PRO 84 1HG PRO 84 8.764 -8.711 -10.551 655 1HD PRO 84 2HD PRO 84 9.301 -10.747 -8.436 656 2HD PRO 84 1HD PRO 84 10.409 -10.031 -9.622 657 H GLN 85 H GLN 85 8.512 -5.539 -6.714 658 HA GLN 85 HA GLN 85 8.066 -6.745 -4.083 659 1HB GLN 85 2HB GLN 85 8.566 -3.882 -4.911 660 2HB GLN 85 1HB GLN 85 8.264 -4.394 -3.256 661 1HG GLN 85 2HG GLN 85 10.269 -5.761 -3.290 662 2HG GLN 85 1HG GLN 85 10.565 -5.308 -4.969 663 1HE2 GLN 85 1HE2 GLN 85 12.454 -4.906 -3.010 664 2HE2 GLN 85 2HE2 GLN 85 12.654 -3.211 -2.745 665 H ARG 86 H ARG 86 6.053 -7.100 -3.445 666 HA ARG 86 HA ARG 86 3.952 -5.216 -4.271 667 1HB ARG 86 2HB ARG 86 3.757 -8.232 -4.240 668 2HB ARG 86 1HB ARG 86 2.388 -7.150 -4.457 669 1HG ARG 86 2HG ARG 86 3.453 -6.257 -6.492 670 2HG ARG 86 1HG ARG 86 4.761 -7.423 -6.288 671 1HD ARG 86 2HD ARG 86 3.040 -9.237 -6.369 672 2HD ARG 86 1HD ARG 86 1.847 -8.009 -6.786 673 HE ARG 86 HE ARG 86 4.130 -7.999 -8.520 674 1HH1 ARG 86 1HH1 ARG 86 1.034 -9.489 -7.910 675 2HH1 ARG 86 2HH1 ARG 86 0.801 -9.969 -9.557 676 1HH2 ARG 86 1HH2 ARG 86 3.825 -8.630 -10.687 677 2HH2 ARG 86 2HH2 ARG 86 2.385 -9.483 -11.134 678 H HIS 87 H HIS 87 2.561 -4.607 -2.701 679 HA HIS 87 HA HIS 87 2.988 -5.769 -0.035 680 1HB HIS 87 2HB HIS 87 2.235 -3.036 -0.992 681 2HB HIS 87 1HB HIS 87 1.708 -3.554 0.605 682 HD1 HIS 87 HD1 HIS 87 3.453 -3.631 2.449 683 HD2 HIS 87 HD2 HIS 87 5.053 -2.773 -1.288 684 HE1 HIS 87 HE1 HIS 87 5.827 -2.922 2.882 685 HE2 HIS 87 HE2 HIS 87 6.801 -2.491 0.598 686 H MET 88 H MET 88 1.505 -7.229 0.493 687 HA MET 88 HA MET 88 -1.212 -6.968 -0.559 688 1HB MET 88 2HB MET 88 0.005 -9.128 -0.812 689 2HB MET 88 1HB MET 88 0.029 -9.280 0.940 690 1HG MET 88 2HG MET 88 -2.457 -9.224 0.913 691 2HG MET 88 1HG MET 88 -2.390 -9.256 -0.848 692 1HE MET 88 1HE MET 88 -0.074 -12.327 -1.254 693 2HE MET 88 2HE MET 88 -0.557 -10.739 -1.853 694 3HE MET 88 3HE MET 88 -1.587 -12.142 -2.140 695 H PHE 89 H PHE 89 -2.595 -5.873 0.657 696 HA PHE 89 HA PHE 89 -2.320 -5.999 3.582 697 1HB PHE 89 2HB PHE 89 -3.575 -3.947 1.763 698 2HB PHE 89 1HB PHE 89 -3.838 -3.955 3.504 699 HD1 PHE 89 HD1 PHE 89 -1.722 -2.888 0.856 700 HD2 PHE 89 HD2 PHE 89 -1.774 -3.843 5.002 701 HE1 PHE 89 HE1 PHE 89 0.357 -1.612 1.169 702 HE2 PHE 89 HE2 PHE 89 0.307 -2.565 5.325 703 HZ PHE 89 HZ PHE 89 1.374 -1.447 3.407 704 H SER 90 H SER 90 -4.154 -6.315 4.885 705 HA SER 90 HA SER 90 -6.457 -7.514 3.487 706 1HB SER 90 2HB SER 90 -5.296 -9.313 4.550 707 2HB SER 90 1HB SER 90 -5.100 -8.393 6.040 708 HG SER 90 HG SER 90 -7.330 -8.530 6.365 709 H PHE 91 H PHE 91 -8.355 -6.578 3.881 710 HA PHE 91 HA PHE 91 -8.505 -4.613 6.039 711 1HB PHE 91 2HB PHE 91 -9.953 -4.994 3.452 712 2HB PHE 91 1HB PHE 91 -10.721 -4.077 4.744 713 HD1 PHE 91 HD1 PHE 91 -7.866 -4.207 2.444 714 HD2 PHE 91 HD2 PHE 91 -9.968 -1.915 5.345 715 HE1 PHE 91 HE1 PHE 91 -6.581 -2.218 1.785 716 HE2 PHE 91 HE2 PHE 91 -8.687 0.089 4.693 717 HZ PHE 91 HZ PHE 91 -6.991 -0.062 2.911 718 H ASN 92 H ASN 92 -9.918 -4.720 7.675 719 HA ASN 92 HA ASN 92 -11.411 -7.211 7.982 720 1HB ASN 92 2HB ASN 92 -9.888 -6.442 9.806 721 2HB ASN 92 1HB ASN 92 -10.914 -5.028 10.018 722 1HD2 ASN 92 1HD2 ASN 92 -10.975 -8.560 10.030 723 2HD2 ASN 92 2HD2 ASN 92 -12.208 -8.710 11.230 724 H ASN 93 H ASN 93 -12.041 -4.412 6.543 725 HA ASN 93 HA ASN 93 -14.869 -4.606 7.087 726 1HB ASN 93 2HB ASN 93 -13.331 -2.045 7.528 727 2HB ASN 93 1HB ASN 93 -15.087 -2.143 7.437 728 1HD2 ASN 93 1HD2 ASN 93 -12.888 -1.603 9.570 729 2HD2 ASN 93 2HD2 ASN 93 -13.474 -2.479 10.939 730 H ARG 94 H ARG 94 -15.915 -4.572 5.224 731 HA ARG 94 HA ARG 94 -14.646 -4.075 2.764 732 1HB ARG 94 2HB ARG 94 -16.628 -5.544 3.062 733 2HB ARG 94 1HB ARG 94 -17.615 -4.116 3.339 734 1HG ARG 94 2HG ARG 94 -17.150 -3.330 1.091 735 2HG ARG 94 1HG ARG 94 -16.101 -4.719 0.806 736 1HD ARG 94 2HD ARG 94 -18.211 -5.192 -0.197 737 2HD ARG 94 1HD ARG 94 -18.072 -6.193 1.248 738 HE ARG 94 HE ARG 94 -19.416 -3.717 1.746 739 1HH1 ARG 94 1HH1 ARG 94 -19.836 -6.965 0.542 740 2HH1 ARG 94 2HH1 ARG 94 -21.529 -7.015 0.904 741 1HH2 ARG 94 1HH2 ARG 94 -21.642 -3.781 2.224 742 2HH2 ARG 94 2HH2 ARG 94 -22.554 -5.207 1.858 743 H THR 95 H THR 95 -16.474 -2.019 4.915 744 HA THR 95 HA THR 95 -16.873 0.079 3.045 745 HB THR 95 HB THR 95 -17.420 -0.434 5.873 746 HG1 THR 95 HG1 THR 95 -18.731 1.214 3.979 747 1HG2 THR 95 1HG2 THR 95 -16.174 1.461 6.424 748 2HG2 THR 95 2HG2 THR 95 -17.846 2.012 6.329 749 3HG2 THR 95 3HG2 THR 95 -16.730 2.345 5.004 750 H VAL 96 H VAL 96 -14.608 -0.511 5.651 751 HA VAL 96 HA VAL 96 -13.130 1.873 5.309 752 HB VAL 96 HB VAL 96 -12.210 -0.720 6.554 753 1HG1 VAL 96 1HG1 VAL 96 -10.744 0.934 7.864 754 2HG1 VAL 96 2HG1 VAL 96 -11.094 2.064 6.555 755 3HG1 VAL 96 3HG1 VAL 96 -10.277 0.541 6.209 756 1HG2 VAL 96 1HG2 VAL 96 -13.873 1.531 7.561 757 2HG2 VAL 96 2HG2 VAL 96 -12.733 0.769 8.670 758 3HG2 VAL 96 3HG2 VAL 96 -13.989 -0.197 7.893 759 H MET 97 H MET 97 -13.017 -1.264 3.834 760 HA MET 97 HA MET 97 -10.429 -0.921 2.654 761 1HB MET 97 2HB MET 97 -10.660 -3.047 1.858 762 2HB MET 97 1HB MET 97 -11.855 -3.110 3.141 763 1HG MET 97 2HG MET 97 -13.119 -3.980 1.497 764 2HG MET 97 1HG MET 97 -13.426 -2.281 1.152 765 1HE MET 97 1HE MET 97 -11.378 -5.563 -0.416 766 2HE MET 97 2HE MET 97 -12.456 -5.217 -1.767 767 3HE MET 97 3HE MET 97 -13.106 -5.347 -0.131 768 H ASP 98 H ASP 98 -13.727 -0.233 1.719 769 HA ASP 98 HA ASP 98 -13.130 0.278 -1.018 770 1HB ASP 98 2HB ASP 98 -15.396 -0.364 -0.185 771 2HB ASP 98 1HB ASP 98 -15.517 1.221 0.575 772 H ASN 99 H ASN 99 -13.109 2.121 1.907 773 HA ASN 99 HA ASN 99 -13.088 4.691 0.694 774 1HB ASN 99 2HB ASN 99 -12.234 3.787 3.447 775 2HB ASN 99 1HB ASN 99 -12.331 5.473 2.944 776 1HD2 ASN 99 1HD2 ASN 99 -13.754 4.519 5.092 777 2HD2 ASN 99 2HD2 ASN 99 -15.440 4.537 4.717 778 H ILE 100 H ILE 100 -10.680 2.342 1.512 779 HA ILE 100 HA ILE 100 -8.465 4.159 1.073 780 HB ILE 100 HB ILE 100 -8.462 1.171 1.532 781 1HG1 ILE 100 2HG1 ILE 100 -9.367 2.511 3.423 782 2HG1 ILE 100 1HG1 ILE 100 -7.867 1.681 3.824 783 1HG2 ILE 100 1HG2 ILE 100 -6.063 1.558 2.126 784 2HG2 ILE 100 2HG2 ILE 100 -6.225 3.184 1.462 785 3HG2 ILE 100 3HG2 ILE 100 -6.450 1.780 0.418 786 1HD1 ILE 100 1HD1 ILE 100 -6.661 3.817 3.379 787 2HD1 ILE 100 2HD1 ILE 100 -7.773 3.866 4.748 788 3HD1 ILE 100 3HD1 ILE 100 -8.233 4.600 3.211 789 H LYS 101 H LYS 101 -9.933 1.362 -0.535 790 HA LYS 101 HA LYS 101 -8.122 1.108 -2.640 791 1HB LYS 101 2HB LYS 101 -9.867 -0.552 -2.097 792 2HB LYS 101 1HB LYS 101 -11.094 0.560 -2.687 793 1HG LYS 101 2HG LYS 101 -10.326 0.377 -4.914 794 2HG LYS 101 1HG LYS 101 -8.847 -0.441 -4.410 795 1HD LYS 101 2HD LYS 101 -10.216 -2.153 -5.244 796 2HD LYS 101 1HD LYS 101 -10.379 -2.267 -3.490 797 1HE LYS 101 2HE LYS 101 -12.526 -2.452 -4.776 798 2HE LYS 101 1HE LYS 101 -12.501 -1.202 -3.534 799 1HZ LYS 101 1HZ LYS 101 -11.858 -0.585 -6.351 800 2HZ LYS 101 2HZ LYS 101 -12.338 0.475 -5.123 801 3HZ LYS 101 3HZ LYS 101 -13.457 -0.600 -5.797 802 H MET 102 H MET 102 -10.863 3.269 -2.230 803 HA MET 102 HA MET 102 -10.716 4.241 -4.936 804 1HB MET 102 2HB MET 102 -12.304 5.185 -2.553 805 2HB MET 102 1HB MET 102 -12.435 5.882 -4.163 806 1HG MET 102 2HG MET 102 -13.100 3.639 -5.007 807 2HG MET 102 1HG MET 102 -13.121 3.072 -3.338 808 1HE MET 102 1HE MET 102 -15.739 4.386 -1.560 809 2HE MET 102 2HE MET 102 -15.172 6.010 -1.946 810 3HE MET 102 3HE MET 102 -14.009 4.725 -1.618 811 H THR 103 H THR 103 -9.874 5.441 -1.746 812 HA THR 103 HA THR 103 -8.993 7.981 -2.600 813 HB THR 103 HB THR 103 -9.549 7.129 -0.204 814 HG1 THR 103 HG1 THR 103 -8.710 9.249 -0.867 815 1HG2 THR 103 1HG2 THR 103 -7.814 6.415 1.176 816 2HG2 THR 103 2HG2 THR 103 -6.583 6.762 -0.039 817 3HG2 THR 103 3HG2 THR 103 -7.683 5.403 -0.260 818 H LEU 104 H LEU 104 -7.353 4.894 -2.166 819 HA LEU 104 HA LEU 104 -4.732 5.853 -2.639 820 1HB LEU 104 2HB LEU 104 -6.014 3.141 -2.797 821 2HB LEU 104 1HB LEU 104 -4.346 3.379 -3.285 822 HG LEU 104 HG LEU 104 -5.485 3.897 -0.538 823 1HD1 LEU 104 1HD1 LEU 104 -5.202 1.515 -1.167 824 2HD1 LEU 104 2HD1 LEU 104 -4.161 2.020 0.164 825 3HD1 LEU 104 3HD1 LEU 104 -3.492 1.833 -1.456 826 1HD2 LEU 104 1HD2 LEU 104 -3.066 4.223 0.056 827 2HD2 LEU 104 2HD2 LEU 104 -3.779 5.508 -0.917 828 3HD2 LEU 104 3HD2 LEU 104 -2.726 4.312 -1.672 829 H GLN 105 H GLN 105 -7.351 4.839 -4.724 830 HA GLN 105 HA GLN 105 -5.834 4.559 -7.094 831 1HB GLN 105 2HB GLN 105 -8.625 4.488 -6.335 832 2HB GLN 105 1HB GLN 105 -8.411 5.354 -7.852 833 1HG GLN 105 2HG GLN 105 -6.824 3.013 -7.968 834 2HG GLN 105 1HG GLN 105 -8.422 2.555 -7.378 835 1HE2 GLN 105 1HE2 GLN 105 -6.563 3.263 -10.077 836 2HE2 GLN 105 2HE2 GLN 105 -7.832 3.384 -11.242 837 H GLN 106 H GLN 106 -7.307 7.272 -5.494 838 HA GLN 106 HA GLN 106 -7.164 9.105 -7.634 839 1HB GLN 106 2HB GLN 106 -7.097 9.615 -4.653 840 2HB GLN 106 1HB GLN 106 -7.348 10.848 -5.880 841 1HG GLN 106 2HG GLN 106 -9.152 8.506 -5.324 842 2HG GLN 106 1HG GLN 106 -9.446 10.184 -4.867 843 1HE2 GLN 106 1HE2 GLN 106 -10.550 8.006 -6.854 844 2HE2 GLN 106 2HE2 GLN 106 -10.890 8.947 -8.263 845 H ILE 107 H ILE 107 -4.909 8.260 -5.045 846 HA ILE 107 HA ILE 107 -2.962 10.202 -5.532 847 HB ILE 107 HB ILE 107 -2.603 7.360 -4.567 848 1HG1 ILE 107 2HG1 ILE 107 -2.660 9.902 -2.941 849 2HG1 ILE 107 1HG1 ILE 107 -4.104 8.942 -3.250 850 1HG2 ILE 107 1HG2 ILE 107 -0.414 7.690 -4.582 851 2HG2 ILE 107 2HG2 ILE 107 -0.611 9.115 -3.561 852 3HG2 ILE 107 3HG2 ILE 107 -0.655 9.275 -5.317 853 1HD1 ILE 107 1HD1 ILE 107 -2.176 8.614 -1.221 854 2HD1 ILE 107 2HD1 ILE 107 -2.063 7.215 -2.291 855 3HD1 ILE 107 3HD1 ILE 107 -3.607 7.634 -1.546 856 H ILE 108 H ILE 108 -3.452 7.006 -6.943 857 HA ILE 108 HA ILE 108 -1.206 6.767 -8.547 858 HB ILE 108 HB ILE 108 -3.935 5.994 -9.528 859 1HG1 ILE 108 2HG1 ILE 108 -4.008 5.204 -7.308 860 2HG1 ILE 108 1HG1 ILE 108 -3.539 3.815 -8.279 861 1HG2 ILE 108 1HG2 ILE 108 -2.315 5.529 -11.128 862 2HG2 ILE 108 2HG2 ILE 108 -2.578 3.987 -10.313 863 3HG2 ILE 108 3HG2 ILE 108 -1.157 4.957 -9.928 864 1HD1 ILE 108 1HD1 ILE 108 -2.293 4.027 -6.157 865 2HD1 ILE 108 2HD1 ILE 108 -1.613 5.543 -6.751 866 3HD1 ILE 108 3HD1 ILE 108 -1.258 4.030 -7.586 867 H SER 109 H SER 109 -4.321 8.128 -9.334 868 HA SER 109 HA SER 109 -3.785 8.996 -11.922 869 1HB SER 109 2HB SER 109 -6.050 8.916 -10.894 870 2HB SER 109 1HB SER 109 -5.631 10.337 -9.938 871 HG SER 109 HG SER 109 -6.534 10.223 -12.450 872 H ARG 110 H ARG 110 -2.997 10.443 -8.868 873 HA ARG 110 HA ARG 110 -2.317 13.002 -9.901 874 1HB ARG 110 2HB ARG 110 -1.592 11.655 -7.300 875 2HB ARG 110 1HB ARG 110 -1.207 13.328 -7.682 876 1HG ARG 110 2HG ARG 110 -3.631 13.775 -7.947 877 2HG ARG 110 1HG ARG 110 -3.953 12.121 -7.418 878 1HD ARG 110 2HD ARG 110 -2.681 12.654 -5.320 879 2HD ARG 110 1HD ARG 110 -2.648 14.335 -5.846 880 HE ARG 110 HE ARG 110 -4.861 12.930 -4.699 881 1HH1 ARG 110 1HH1 ARG 110 -3.973 15.535 -6.845 882 2HH1 ARG 110 2HH1 ARG 110 -5.453 16.401 -6.609 883 1HH2 ARG 110 1HH2 ARG 110 -6.810 14.068 -4.390 884 2HH2 ARG 110 2HH2 ARG 110 -7.064 15.568 -5.216 885 H TYR 111 H TYR 111 -0.608 10.020 -9.394 886 HA TYR 111 HA TYR 111 1.999 11.120 -9.794 887 1HB TYR 111 2HB TYR 111 0.861 8.374 -9.554 888 2HB TYR 111 1HB TYR 111 2.457 8.551 -10.276 889 HD1 TYR 111 HD1 TYR 111 4.315 9.511 -8.943 890 HD2 TYR 111 HD2 TYR 111 0.523 8.668 -7.208 891 HE1 TYR 111 HE1 TYR 111 5.319 9.639 -6.702 892 HE2 TYR 111 HE2 TYR 111 1.518 8.794 -4.962 893 HH TYR 111 HH TYR 111 3.895 8.467 -3.979 894 H LYS 112 H LYS 112 -0.504 9.884 -11.830 895 HA LYS 112 HA LYS 112 1.100 9.481 -14.144 896 1HB LYS 112 2HB LYS 112 -1.885 9.891 -13.908 897 2HB LYS 112 1HB LYS 112 -1.045 9.314 -15.339 898 1HG LYS 112 2HG LYS 112 -1.144 7.912 -12.677 899 2HG LYS 112 1HG LYS 112 -2.088 7.489 -14.106 900 1HD LYS 112 2HD LYS 112 -0.419 6.206 -14.816 901 2HD LYS 112 1HD LYS 112 0.626 7.625 -14.898 902 1HE LYS 112 2HE LYS 112 1.857 6.471 -13.402 903 2HE LYS 112 1HE LYS 112 0.700 7.135 -12.251 904 1HZ LYS 112 1HZ LYS 112 1.196 4.607 -12.275 905 2HZ LYS 112 2HZ LYS 112 0.114 4.577 -13.573 906 3HZ LYS 112 3HZ LYS 112 -0.395 5.144 -12.064 907 H ASP 113 H ASP 113 -0.659 12.172 -12.775 908 HA ASP 113 HA ASP 113 -0.799 13.844 -15.010 909 1HB ASP 113 2HB ASP 113 -0.538 14.518 -12.075 910 2HB ASP 113 1HB ASP 113 -0.880 15.708 -13.327 911 H ALA 114 H ALA 114 1.807 13.269 -12.715 912 HA ALA 114 HA ALA 114 3.497 15.380 -13.457 913 1HB ALA 114 1HB ALA 114 3.936 14.169 -11.446 914 2HB ALA 114 2HB ALA 114 5.319 13.948 -12.519 915 3HB ALA 114 3HB ALA 114 4.131 12.657 -12.333 916 H ASP 115 H ASP 115 2.917 12.249 -14.906 917 HA ASP 115 HA ASP 115 4.636 13.034 -17.153 918 1HB ASP 115 2HB ASP 115 4.592 10.327 -15.805 919 2HB ASP 115 1HB ASP 115 5.349 10.637 -17.365 Start of MODEL 5 1 HT1 PRO 1 HT2 PRO 1 -14.181 11.366 8.611 2 HT2 PRO 1 HT1 PRO 1 -13.380 12.154 7.327 3 HA PRO 1 HA PRO 1 -14.752 9.767 7.328 4 1HB PRO 1 2HB PRO 1 -15.913 11.369 5.154 5 2HB PRO 1 1HB PRO 1 -16.679 10.178 6.211 6 1HG PRO 1 2HG PRO 1 -17.104 12.844 6.470 7 2HG PRO 1 1HG PRO 1 -17.153 11.726 7.841 8 1HD PRO 1 2HD PRO 1 -15.019 13.661 7.044 9 2HD PRO 1 1HD PRO 1 -15.535 13.156 8.664 10 H SER 2 H SER 2 -14.153 8.558 5.466 11 HA SER 2 HA SER 2 -12.726 7.893 3.824 12 1HB SER 2 2HB SER 2 -13.999 9.623 2.549 13 2HB SER 2 1HB SER 2 -12.762 10.801 2.988 14 HG SER 2 HG SER 2 -11.276 9.677 1.793 15 H HIS 3 H HIS 3 -10.490 8.214 2.905 16 HA HIS 3 HA HIS 3 -8.250 8.447 3.214 17 1HB HIS 3 2HB HIS 3 -9.332 10.947 4.429 18 2HB HIS 3 1HB HIS 3 -7.640 10.552 4.714 19 HD1 HIS 3 HD1 HIS 3 -10.035 11.242 1.870 20 HD2 HIS 3 HD2 HIS 3 -5.952 11.111 2.629 21 HE1 HIS 3 HE1 HIS 3 -8.937 12.152 -0.201 22 HE2 HIS 3 HE2 HIS 3 -6.465 11.987 0.250 23 H SER 4 H SER 4 -6.922 7.301 4.457 24 HA SER 4 HA SER 4 -6.057 6.173 6.228 25 1HB SER 4 2HB SER 4 -7.464 8.199 7.975 26 2HB SER 4 1HB SER 4 -6.049 7.229 8.385 27 HG SER 4 HG SER 4 -6.026 9.617 7.392 28 H GLY 5 H GLY 5 -6.667 4.284 7.015 29 1HA GLY 5 2HA GLY 5 -9.108 3.935 8.493 30 2HA GLY 5 1HA GLY 5 -9.166 3.209 6.891 31 H ALA 6 H ALA 6 -9.421 1.638 9.155 32 HA ALA 6 HA ALA 6 -6.952 0.561 10.017 33 1HB ALA 6 1HB ALA 6 -8.941 0.303 11.365 34 2HB ALA 6 2HB ALA 6 -8.276 -1.276 10.939 35 3HB ALA 6 3HB ALA 6 -9.700 -0.662 10.096 36 H ALA 7 H ALA 7 -5.764 -1.107 9.309 37 HA ALA 7 HA ALA 7 -6.727 -2.893 7.266 38 1HB ALA 7 1HB ALA 7 -4.496 -0.963 6.667 39 2HB ALA 7 2HB ALA 7 -6.075 -1.032 5.883 40 3HB ALA 7 3HB ALA 7 -4.924 -2.350 5.663 41 H ILE 8 H ILE 8 -5.484 -4.775 7.028 42 HA ILE 8 HA ILE 8 -3.555 -5.213 9.187 43 HB ILE 8 HB ILE 8 -4.724 -7.242 7.290 44 1HG1 ILE 8 2HG1 ILE 8 -5.625 -6.762 10.119 45 2HG1 ILE 8 1HG1 ILE 8 -6.401 -5.985 8.739 46 1HG2 ILE 8 1HG2 ILE 8 -2.553 -7.614 8.749 47 2HG2 ILE 8 2HG2 ILE 8 -3.752 -8.885 8.533 48 3HG2 ILE 8 3HG2 ILE 8 -3.746 -7.922 10.009 49 1HD1 ILE 8 1HD1 ILE 8 -7.246 -7.948 7.937 50 2HD1 ILE 8 2HD1 ILE 8 -7.336 -8.212 9.680 51 3HD1 ILE 8 3HD1 ILE 8 -6.020 -8.931 8.743 52 H PHE 9 H PHE 9 -1.495 -5.895 8.865 53 HA PHE 9 HA PHE 9 -0.540 -6.361 6.156 54 1HB PHE 9 2HB PHE 9 -0.216 -3.955 6.464 55 2HB PHE 9 1HB PHE 9 0.656 -4.251 7.962 56 HD1 PHE 9 HD1 PHE 9 2.907 -3.921 7.784 57 HD2 PHE 9 HD2 PHE 9 0.809 -5.577 4.477 58 HE1 PHE 9 HE1 PHE 9 5.018 -4.070 6.527 59 HE2 PHE 9 HE2 PHE 9 2.913 -5.732 3.211 60 HZ PHE 9 HZ PHE 9 5.023 -4.976 4.237 61 H GLU 10 H GLU 10 0.215 -8.348 6.416 62 HA GLU 10 HA GLU 10 1.671 -9.995 7.001 63 1HB GLU 10 2HB GLU 10 2.767 -8.134 9.105 64 2HB GLU 10 1HB GLU 10 3.525 -9.587 8.475 65 1HG GLU 10 2HG GLU 10 3.675 -8.504 6.262 66 2HG GLU 10 1HG GLU 10 3.018 -7.031 6.973 67 H LYS 11 H LYS 11 -0.852 -10.166 7.882 68 HA LYS 11 HA LYS 11 -2.187 -11.239 9.331 69 1HB LYS 11 2HB LYS 11 0.525 -12.187 10.060 70 2HB LYS 11 1HB LYS 11 -0.827 -12.642 11.092 71 1HG LYS 11 2HG LYS 11 -1.878 -13.829 9.374 72 2HG LYS 11 1HG LYS 11 -0.897 -13.052 8.127 73 1HD LYS 11 2HD LYS 11 0.157 -14.948 10.227 74 2HD LYS 11 1HD LYS 11 -0.233 -15.400 8.566 75 1HE LYS 11 2HE LYS 11 1.392 -13.551 7.876 76 2HE LYS 11 1HE LYS 11 1.936 -13.571 9.553 77 1HZ LYS 11 1HZ LYS 11 1.795 -16.152 8.220 78 2HZ LYS 11 2HZ LYS 11 2.959 -15.546 9.288 79 3HZ LYS 11 3HZ LYS 11 2.992 -15.096 7.658 80 H VAL 12 H VAL 12 -0.794 -8.521 10.106 81 HA VAL 12 HA VAL 12 -1.818 -8.560 12.838 82 HB VAL 12 HB VAL 12 0.522 -6.945 11.824 83 1HG1 VAL 12 1HG1 VAL 12 0.718 -6.051 14.055 84 2HG1 VAL 12 2HG1 VAL 12 -0.649 -7.021 14.600 85 3HG1 VAL 12 3HG1 VAL 12 -0.900 -5.718 13.438 86 1HG2 VAL 12 1HG2 VAL 12 0.283 -9.435 13.418 87 2HG2 VAL 12 2HG2 VAL 12 1.548 -8.287 13.862 88 3HG2 VAL 12 3HG2 VAL 12 1.500 -8.961 12.232 89 H SER 13 H SER 13 -3.228 -6.919 13.356 90 HA SER 13 HA SER 13 -4.027 -5.240 11.089 91 1HB SER 13 2HB SER 13 -5.744 -6.720 12.115 92 2HB SER 13 1HB SER 13 -5.562 -5.838 13.630 93 HG SER 13 HG SER 13 -7.271 -5.219 11.937 94 H GLY 14 H GLY 14 -4.317 -3.083 11.227 95 1HA GLY 14 2HA GLY 14 -3.944 -1.593 13.642 96 2HA GLY 14 1HA GLY 14 -2.534 -1.527 12.589 97 H ILE 15 H ILE 15 -3.486 0.850 12.928 98 HA ILE 15 HA ILE 15 -5.563 1.402 10.967 99 HB ILE 15 HB ILE 15 -4.139 3.210 12.911 100 1HG1 ILE 15 2HG1 ILE 15 -6.344 1.426 13.133 101 2HG1 ILE 15 1HG1 ILE 15 -5.714 2.531 14.351 102 1HG2 ILE 15 1HG2 ILE 15 -4.682 4.484 10.919 103 2HG2 ILE 15 2HG2 ILE 15 -5.766 4.938 12.235 104 3HG2 ILE 15 3HG2 ILE 15 -6.337 3.874 10.950 105 1HD1 ILE 15 1HD1 ILE 15 -7.889 3.063 12.348 106 2HD1 ILE 15 2HD1 ILE 15 -7.180 4.302 13.384 107 3HD1 ILE 15 3HD1 ILE 15 -8.042 2.941 14.100 108 H ILE 16 H ILE 16 -5.213 2.068 8.995 109 HA ILE 16 HA ILE 16 -2.474 2.697 8.177 110 HB ILE 16 HB ILE 16 -4.724 1.270 6.971 111 1HG1 ILE 16 2HG1 ILE 16 -1.748 1.418 6.490 112 2HG1 ILE 16 1HG1 ILE 16 -2.650 0.168 7.336 113 1HG2 ILE 16 1HG2 ILE 16 -4.144 1.984 4.616 114 2HG2 ILE 16 2HG2 ILE 16 -3.329 3.378 5.325 115 3HG2 ILE 16 3HG2 ILE 16 -5.062 3.152 5.563 116 1HD1 ILE 16 1HD1 ILE 16 -2.770 -0.989 5.464 117 2HD1 ILE 16 2HD1 ILE 16 -1.929 0.297 4.597 118 3HD1 ILE 16 3HD1 ILE 16 -3.690 0.319 4.718 119 H ALA 17 H ALA 17 -1.997 4.788 7.984 120 HA ALA 17 HA ALA 17 -4.156 6.676 7.318 121 1HB ALA 17 1HB ALA 17 -1.546 7.155 8.751 122 2HB ALA 17 2HB ALA 17 -3.156 7.128 9.470 123 3HB ALA 17 3HB ALA 17 -2.718 8.406 8.336 124 H ILE 18 H ILE 18 -3.903 8.146 5.670 125 HA ILE 18 HA ILE 18 -1.691 7.583 3.831 126 HB ILE 18 HB ILE 18 -4.529 8.275 3.478 127 1HG1 ILE 18 2HG1 ILE 18 -2.617 7.040 1.506 128 2HG1 ILE 18 1HG1 ILE 18 -3.288 6.128 2.855 129 1HG2 ILE 18 1HG2 ILE 18 -3.803 10.335 2.629 130 2HG2 ILE 18 2HG2 ILE 18 -4.044 9.313 1.212 131 3HG2 ILE 18 3HG2 ILE 18 -2.414 9.610 1.819 132 1HD1 ILE 18 1HD1 ILE 18 -4.550 7.027 0.360 133 2HD1 ILE 18 2HD1 ILE 18 -5.542 7.145 1.813 134 3HD1 ILE 18 3HD1 ILE 18 -4.853 5.592 1.339 135 H ASN 19 H ASN 19 -0.055 8.963 3.948 136 HA ASN 19 HA ASN 19 -0.584 11.745 4.723 137 1HB ASN 19 2HB ASN 19 1.850 9.990 4.895 138 2HB ASN 19 1HB ASN 19 2.000 11.745 4.965 139 1HD2 ASN 19 1HD2 ASN 19 -0.079 9.226 6.363 140 2HD2 ASN 19 2HD2 ASN 19 -0.014 9.834 7.979 141 H GLU 20 H GLU 20 -0.881 13.031 3.039 142 HA GLU 20 HA GLU 20 0.780 12.631 0.643 143 1HB GLU 20 2HB GLU 20 -1.877 14.042 0.936 144 2HB GLU 20 1HB GLU 20 -0.955 13.930 -0.557 145 1HG GLU 20 2HG GLU 20 -1.169 11.483 -0.482 146 2HG GLU 20 1HG GLU 20 -2.144 11.632 0.979 147 H ASP 21 H ASP 21 0.537 14.521 3.356 148 HA ASP 21 HA ASP 21 0.960 17.117 2.389 149 1HB ASP 21 2HB ASP 21 1.788 15.822 4.988 150 2HB ASP 21 1HB ASP 21 1.932 17.546 4.664 151 H VAL 22 H VAL 22 3.038 14.392 2.478 152 HA VAL 22 HA VAL 22 5.411 16.042 2.223 153 HB VAL 22 HB VAL 22 5.197 13.843 3.629 154 1HG1 VAL 22 1HG1 VAL 22 4.621 12.679 1.309 155 2HG1 VAL 22 2HG1 VAL 22 5.431 11.834 2.627 156 3HG1 VAL 22 3HG1 VAL 22 6.373 12.490 1.289 157 1HG2 VAL 22 1HG2 VAL 22 7.365 14.170 3.943 158 2HG2 VAL 22 2HG2 VAL 22 7.308 15.324 2.612 159 3HG2 VAL 22 3HG2 VAL 22 7.744 13.643 2.304 160 H SER 23 H SER 23 6.920 14.290 0.611 161 HA SER 23 HA SER 23 5.599 13.773 -1.854 162 1HB SER 23 2HB SER 23 7.278 15.567 -2.971 163 2HB SER 23 1HB SER 23 5.606 15.936 -2.556 164 HG SER 23 HG SER 23 7.919 16.899 -1.483 165 HA PRO 24 HA PRO 24 5.695 12.332 -3.194 166 1HB PRO 24 2HB PRO 24 6.398 9.522 -2.822 167 2HB PRO 24 1HB PRO 24 6.100 10.406 -4.319 168 1HG PRO 24 2HG PRO 24 8.556 9.514 -3.616 169 2HG PRO 24 1HG PRO 24 8.308 10.987 -4.571 170 1HD PRO 24 2HD PRO 24 8.890 10.701 -1.645 171 2HD PRO 24 1HD PRO 24 9.552 11.861 -2.817 172 H ALA 25 H ALA 25 3.748 11.548 -2.365 173 HA ALA 25 HA ALA 25 3.340 11.656 0.383 174 1HB ALA 25 1HB ALA 25 1.134 10.606 -0.097 175 2HB ALA 25 2HB ALA 25 1.674 10.323 -1.753 176 3HB ALA 25 3HB ALA 25 1.514 11.972 -1.147 177 H GLU 26 H GLU 26 2.337 9.790 1.692 178 HA GLU 26 HA GLU 26 3.372 7.157 1.075 179 1HB GLU 26 2HB GLU 26 4.358 8.671 3.500 180 2HB GLU 26 1HB GLU 26 4.647 6.965 3.186 181 1HG GLU 26 2HG GLU 26 5.853 7.581 1.126 182 2HG GLU 26 1HG GLU 26 5.624 9.281 1.533 183 H LEU 27 H LEU 27 2.535 5.501 2.422 184 HA LEU 27 HA LEU 27 0.157 6.327 3.954 185 1HB LEU 27 2HB LEU 27 -0.249 4.980 1.897 186 2HB LEU 27 1HB LEU 27 0.680 3.675 2.609 187 HG LEU 27 HG LEU 27 -1.709 4.763 4.050 188 1HD1 LEU 27 1HD1 LEU 27 -1.682 2.970 1.656 189 2HD1 LEU 27 2HD1 LEU 27 -2.756 4.318 2.031 190 3HD1 LEU 27 3HD1 LEU 27 -2.919 2.792 2.901 191 1HD2 LEU 27 1HD2 LEU 27 -0.502 3.279 5.381 192 2HD2 LEU 27 2HD2 LEU 27 -0.135 2.212 4.025 193 3HD2 LEU 27 3HD2 LEU 27 -1.771 2.275 4.681 194 H THR 28 H THR 28 0.463 6.202 6.085 195 HA THR 28 HA THR 28 2.492 4.507 7.205 196 HB THR 28 HB THR 28 0.729 5.984 9.003 197 HG1 THR 28 HG1 THR 28 0.855 7.888 8.128 198 1HG2 THR 28 1HG2 THR 28 3.654 6.262 8.438 199 2HG2 THR 28 2HG2 THR 28 2.954 5.171 9.634 200 3HG2 THR 28 3HG2 THR 28 2.784 6.916 9.822 201 H TRP 29 H TRP 29 2.137 2.895 8.724 202 HA TRP 29 HA TRP 29 -0.620 1.991 9.125 203 1HB TRP 29 2HB TRP 29 0.395 0.567 7.399 204 2HB TRP 29 1HB TRP 29 1.747 0.219 8.474 205 HD1 TRP 29 HD1 TRP 29 -2.081 0.061 9.028 206 HE1 TRP 29 HE1 TRP 29 -2.658 -2.249 10.027 207 HE3 TRP 29 HE3 TRP 29 2.607 -1.973 9.131 208 HZ2 TRP 29 HZ2 TRP 29 -1.300 -4.588 10.759 209 HZ3 TRP 29 HZ3 TRP 29 2.878 -4.261 10.003 210 HH2 TRP 29 HH2 TRP 29 0.953 -5.547 10.797 211 H ARG 30 H ARG 30 -0.962 2.238 11.236 212 HA ARG 30 HA ARG 30 1.235 1.607 13.090 213 1HB ARG 30 2HB ARG 30 -0.392 3.814 13.016 214 2HB ARG 30 1HB ARG 30 -1.219 2.811 14.199 215 1HG ARG 30 2HG ARG 30 0.844 2.649 15.502 216 2HG ARG 30 1HG ARG 30 1.664 3.668 14.318 217 1HD ARG 30 2HD ARG 30 -0.131 5.401 14.791 218 2HD ARG 30 1HD ARG 30 -0.583 4.406 16.176 219 HE ARG 30 HE ARG 30 2.068 4.762 16.531 220 1HH1 ARG 30 1HH1 ARG 30 -0.561 6.977 15.932 221 2HH1 ARG 30 2HH1 ARG 30 0.177 8.283 16.797 222 1HH2 ARG 30 1HH2 ARG 30 3.039 6.478 17.670 223 2HH2 ARG 30 2HH2 ARG 30 2.221 8.000 17.783 224 H SER 31 H SER 31 1.114 -0.199 14.318 225 HA SER 31 HA SER 31 -0.908 -2.096 13.900 226 1HB SER 31 2HB SER 31 0.159 -3.347 15.747 227 2HB SER 31 1HB SER 31 1.347 -2.739 14.596 228 HG SER 31 HG SER 31 1.406 -2.384 17.145 229 H THR 32 H THR 32 -2.324 -3.034 15.540 230 HA THR 32 HA THR 32 -4.059 -1.155 16.656 231 HB THR 32 HB THR 32 -3.681 -4.089 16.684 232 HG1 THR 32 HG1 THR 32 -5.875 -2.362 16.191 233 1HG2 THR 32 1HG2 THR 32 -5.459 -2.722 18.668 234 2HG2 THR 32 2HG2 THR 32 -4.129 -3.833 18.992 235 3HG2 THR 32 3HG2 THR 32 -5.592 -4.416 18.201 236 H ASP 33 H ASP 33 -1.328 -2.885 17.882 237 HA ASP 33 HA ASP 33 -1.760 -2.345 20.636 238 1HB ASP 33 2HB ASP 33 0.739 -3.142 19.141 239 2HB ASP 33 1HB ASP 33 0.626 -3.045 20.896 240 H GLY 34 H GLY 34 -0.146 -0.686 18.050 241 1HA GLY 34 2HA GLY 34 0.383 1.576 17.941 242 2HA GLY 34 1HA GLY 34 0.010 1.721 19.653 243 H ASP 35 H ASP 35 2.131 -0.778 18.572 244 HA ASP 35 HA ASP 35 4.397 0.693 19.726 245 1HB ASP 35 2HB ASP 35 3.688 -1.304 21.019 246 2HB ASP 35 1HB ASP 35 4.009 -2.302 19.604 247 H LYS 36 H LYS 36 3.189 -0.892 16.940 248 HA LYS 36 HA LYS 36 5.832 -0.653 15.663 249 1HB LYS 36 2HB LYS 36 3.953 -2.881 15.732 250 2HB LYS 36 1HB LYS 36 4.378 -2.419 14.089 251 1HG LYS 36 2HG LYS 36 6.105 -3.807 14.401 252 2HG LYS 36 1HG LYS 36 6.819 -2.434 15.251 253 1HD LYS 36 2HD LYS 36 7.074 -4.000 16.878 254 2HD LYS 36 1HD LYS 36 5.431 -3.488 17.270 255 1HE LYS 36 2HE LYS 36 4.521 -5.438 16.587 256 2HE LYS 36 1HE LYS 36 5.653 -5.617 15.246 257 1HZ LYS 36 1HZ LYS 36 6.161 -7.335 16.729 258 2HZ LYS 36 2HZ LYS 36 6.057 -6.334 18.089 259 3HZ LYS 36 3HZ LYS 36 7.355 -6.170 17.016 260 H VAL 37 H VAL 37 5.944 0.732 14.030 261 HA VAL 37 HA VAL 37 3.451 1.481 12.649 262 HB VAL 37 HB VAL 37 5.709 3.391 13.250 263 1HG1 VAL 37 1HG1 VAL 37 4.513 5.004 12.184 264 2HG1 VAL 37 2HG1 VAL 37 2.958 4.273 12.584 265 3HG1 VAL 37 3HG1 VAL 37 3.938 3.606 11.277 266 1HG2 VAL 37 1HG2 VAL 37 3.677 4.338 14.723 267 2HG2 VAL 37 2HG2 VAL 37 4.905 3.246 15.361 268 3HG2 VAL 37 3HG2 VAL 37 3.346 2.610 14.841 269 H HIS 38 H HIS 38 3.532 0.984 10.576 270 HA HIS 38 HA HIS 38 6.162 0.877 9.251 271 1HB HIS 38 2HB HIS 38 4.956 -1.257 9.267 272 2HB HIS 38 1HB HIS 38 3.598 -0.492 8.456 273 HD1 HIS 38 HD1 HIS 38 6.443 -2.491 7.732 274 HD2 HIS 38 HD2 HIS 38 4.535 0.670 5.827 275 HE1 HIS 38 HE1 HIS 38 7.183 -2.608 5.330 276 HE2 HIS 38 HE2 HIS 38 6.085 -0.633 4.218 277 H THR 39 H THR 39 6.508 1.885 7.354 278 HA THR 39 HA THR 39 4.413 3.764 6.473 279 HB THR 39 HB THR 39 7.383 4.150 6.114 280 HG1 THR 39 HG1 THR 39 7.310 5.454 7.926 281 1HG2 THR 39 1HG2 THR 39 5.102 6.106 6.013 282 2HG2 THR 39 2HG2 THR 39 6.012 5.499 4.630 283 3HG2 THR 39 3HG2 THR 39 6.814 6.497 5.845 284 H VAL 40 H VAL 40 3.747 3.663 4.421 285 HA VAL 40 HA VAL 40 5.241 1.913 2.579 286 HB VAL 40 HB VAL 40 2.290 2.539 2.475 287 1HG1 VAL 40 1HG1 VAL 40 3.710 0.263 1.134 288 2HG1 VAL 40 2HG1 VAL 40 3.580 1.848 0.373 289 3HG1 VAL 40 3HG1 VAL 40 2.121 0.945 0.779 290 1HG2 VAL 40 1HG2 VAL 40 3.112 1.221 4.507 291 2HG2 VAL 40 2HG2 VAL 40 3.475 -0.071 3.363 292 3HG2 VAL 40 3HG2 VAL 40 1.819 0.510 3.542 293 H VAL 41 H VAL 41 5.663 2.596 0.517 294 HA VAL 41 HA VAL 41 5.344 5.457 0.035 295 HB VAL 41 HB VAL 41 6.851 3.473 -1.667 296 1HG1 VAL 41 1HG1 VAL 41 6.910 5.266 -3.010 297 2HG1 VAL 41 2HG1 VAL 41 8.106 5.886 -1.873 298 3HG1 VAL 41 3HG1 VAL 41 6.416 6.366 -1.723 299 1HG2 VAL 41 1HG2 VAL 41 7.879 3.282 0.441 300 2HG2 VAL 41 2HG2 VAL 41 7.732 5.010 0.761 301 3HG2 VAL 41 3HG2 VAL 41 8.873 4.432 -0.454 302 H LEU 42 H LEU 42 3.783 6.224 -1.217 303 HA LEU 42 HA LEU 42 2.157 4.395 -2.774 304 1HB LEU 42 2HB LEU 42 1.795 7.365 -2.435 305 2HB LEU 42 1HB LEU 42 0.600 6.204 -2.982 306 HG LEU 42 HG LEU 42 1.729 6.471 -0.197 307 1HD1 LEU 42 1HD1 LEU 42 -0.200 7.951 -1.256 308 2HD1 LEU 42 2HD1 LEU 42 -0.251 7.398 0.417 309 3HD1 LEU 42 3HD1 LEU 42 -1.166 6.542 -0.825 310 1HD2 LEU 42 1HD2 LEU 42 1.365 4.275 -0.002 311 2HD2 LEU 42 2HD2 LEU 42 0.498 4.192 -1.536 312 3HD2 LEU 42 3HD2 LEU 42 -0.349 4.678 -0.068 313 H SER 43 H SER 43 4.825 6.385 -3.352 314 HA SER 43 HA SER 43 4.142 7.132 -6.046 315 1HB SER 43 2HB SER 43 6.316 8.129 -6.151 316 2HB SER 43 1HB SER 43 5.684 8.452 -4.536 317 HG SER 43 HG SER 43 7.717 6.694 -5.337 318 H THR 44 H THR 44 5.785 4.508 -4.458 319 HA THR 44 HA THR 44 6.986 3.510 -6.873 320 HB THR 44 HB THR 44 8.065 3.170 -4.686 321 HG1 THR 44 HG1 THR 44 8.805 1.591 -5.867 322 1HG2 THR 44 1HG2 THR 44 6.002 2.834 -3.352 323 2HG2 THR 44 2HG2 THR 44 7.248 1.618 -3.073 324 3HG2 THR 44 3HG2 THR 44 5.850 1.234 -4.076 325 H ILE 45 H ILE 45 3.983 3.178 -5.253 326 HA ILE 45 HA ILE 45 3.195 0.625 -6.120 327 HB ILE 45 HB ILE 45 1.372 2.988 -5.685 328 1HG1 ILE 45 2HG1 ILE 45 2.787 2.781 -3.741 329 2HG1 ILE 45 1HG1 ILE 45 1.199 2.135 -3.344 330 1HG2 ILE 45 1HG2 ILE 45 0.200 1.179 -6.693 331 2HG2 ILE 45 2HG2 ILE 45 -0.218 1.182 -4.980 332 3HG2 ILE 45 3HG2 ILE 45 0.945 0.010 -5.601 333 1HD1 ILE 45 1HD1 ILE 45 3.789 0.716 -3.705 334 2HD1 ILE 45 2HD1 ILE 45 2.278 -0.140 -4.015 335 3HD1 ILE 45 3HD1 ILE 45 2.584 0.560 -2.426 336 H ASP 46 H ASP 46 3.680 0.254 -8.252 337 HA ASP 46 HA ASP 46 3.145 1.989 -10.387 338 1HB ASP 46 2HB ASP 46 4.660 -0.018 -10.444 339 2HB ASP 46 1HB ASP 46 3.220 -1.030 -10.518 340 H LYS 47 H LYS 47 1.119 -0.288 -8.679 341 HA LYS 47 HA LYS 47 -1.218 0.787 -9.980 342 1HB LYS 47 2HB LYS 47 -0.495 -2.128 -10.323 343 2HB LYS 47 1HB LYS 47 -2.068 -1.440 -10.702 344 1HG LYS 47 2HG LYS 47 -0.899 0.089 -12.313 345 2HG LYS 47 1HG LYS 47 0.560 -0.866 -12.041 346 1HD LYS 47 2HD LYS 47 -2.064 -2.012 -12.985 347 2HD LYS 47 1HD LYS 47 -0.747 -1.541 -14.059 348 1HE LYS 47 2HE LYS 47 0.497 -3.347 -13.538 349 2HE LYS 47 1HE LYS 47 0.017 -3.315 -11.841 350 1HZ LYS 47 1HZ LYS 47 -1.903 -4.150 -13.915 351 2HZ LYS 47 2HZ LYS 47 -1.879 -4.537 -12.269 352 3HZ LYS 47 3HZ LYS 47 -0.762 -5.249 -13.320 353 H LEU 48 H LEU 48 -3.241 -0.318 -9.114 354 HA LEU 48 HA LEU 48 -2.813 -1.228 -6.349 355 1HB LEU 48 2HB LEU 48 -4.180 1.136 -7.294 356 2HB LEU 48 1HB LEU 48 -5.283 0.098 -6.409 357 HG LEU 48 HG LEU 48 -3.160 0.113 -4.721 358 1HD1 LEU 48 1HD1 LEU 48 -3.273 2.978 -5.490 359 2HD1 LEU 48 2HD1 LEU 48 -2.246 1.901 -6.436 360 3HD1 LEU 48 3HD1 LEU 48 -1.987 2.066 -4.699 361 1HD2 LEU 48 1HD2 LEU 48 -5.625 0.609 -4.344 362 2HD2 LEU 48 2HD2 LEU 48 -5.226 2.294 -4.685 363 3HD2 LEU 48 3HD2 LEU 48 -4.475 1.468 -3.319 364 H GLN 49 H GLN 49 -3.834 -3.063 -5.844 365 HA GLN 49 HA GLN 49 -6.090 -3.915 -7.534 366 1HB GLN 49 2HB GLN 49 -3.801 -5.584 -6.490 367 2HB GLN 49 1HB GLN 49 -5.273 -6.270 -7.164 368 1HG GLN 49 2HG GLN 49 -4.815 -5.127 -9.286 369 2HG GLN 49 1HG GLN 49 -3.320 -4.488 -8.605 370 1HE2 GLN 49 1HE2 GLN 49 -3.296 -5.977 -10.901 371 2HE2 GLN 49 2HE2 GLN 49 -2.546 -7.503 -10.598 372 H ALA 50 H ALA 50 -7.675 -5.234 -6.521 373 HA ALA 50 HA ALA 50 -7.548 -5.433 -3.604 374 1HB ALA 50 1HB ALA 50 -9.873 -4.540 -3.434 375 2HB ALA 50 2HB ALA 50 -9.752 -4.049 -5.124 376 3HB ALA 50 3HB ALA 50 -8.671 -3.345 -3.921 377 H THR 51 H THR 51 -9.345 -6.778 -2.726 378 HA THR 51 HA THR 51 -9.545 -9.202 -4.204 379 HB THR 51 HB THR 51 -11.272 -9.666 -2.243 380 HG1 THR 51 HG1 THR 51 -11.483 -7.999 -1.011 381 1HG2 THR 51 1HG2 THR 51 -9.350 -10.068 -0.675 382 2HG2 THR 51 2HG2 THR 51 -8.302 -9.397 -1.923 383 3HG2 THR 51 3HG2 THR 51 -9.239 -10.854 -2.250 384 HA PRO 52 HA PRO 52 -13.273 -8.597 -6.473 385 1HB PRO 52 2HB PRO 52 -14.325 -11.109 -6.452 386 2HB PRO 52 1HB PRO 52 -12.934 -10.649 -7.441 387 1HG PRO 52 2HG PRO 52 -12.997 -12.056 -4.799 388 2HG PRO 52 1HG PRO 52 -12.008 -12.404 -6.229 389 1HD PRO 52 2HD PRO 52 -11.034 -11.069 -4.094 390 2HD PRO 52 1HD PRO 52 -10.499 -10.724 -5.751 391 H ALA 53 H ALA 53 -15.541 -8.437 -6.285 392 HA ALA 53 HA ALA 53 -16.490 -7.958 -3.655 393 1HB ALA 53 1HB ALA 53 -18.487 -8.247 -5.802 394 2HB ALA 53 2HB ALA 53 -17.214 -7.059 -6.087 395 3HB ALA 53 3HB ALA 53 -18.233 -6.934 -4.652 396 H SER 54 H SER 54 -16.257 -10.810 -5.466 397 HA SER 54 HA SER 54 -18.545 -12.098 -4.216 398 1HB SER 54 2HB SER 54 -16.459 -13.098 -6.162 399 2HB SER 54 1HB SER 54 -17.764 -14.099 -5.523 400 HG SER 54 HG SER 54 -19.249 -12.766 -6.521 401 H SER 55 H SER 55 -15.540 -11.329 -3.183 402 HA SER 55 HA SER 55 -15.175 -13.817 -1.664 403 1HB SER 55 2HB SER 55 -13.262 -11.601 -2.398 404 2HB SER 55 1HB SER 55 -12.882 -12.811 -1.174 405 HG SER 55 HG SER 55 -12.565 -14.241 -2.690 406 H GLU 56 H GLU 56 -16.026 -13.777 0.292 407 HA GLU 56 HA GLU 56 -16.933 -11.503 1.628 408 1HB GLU 56 2HB GLU 56 -16.150 -14.203 2.740 409 2HB GLU 56 1HB GLU 56 -17.028 -12.974 3.641 410 1HG GLU 56 2HG GLU 56 -17.979 -14.327 1.126 411 2HG GLU 56 1HG GLU 56 -18.519 -14.688 2.765 412 H LYS 57 H LYS 57 -13.770 -12.752 1.295 413 HA LYS 57 HA LYS 57 -12.755 -11.370 3.653 414 1HB LYS 57 2HB LYS 57 -11.342 -13.015 1.545 415 2HB LYS 57 1HB LYS 57 -10.565 -12.317 2.961 416 1HG LYS 57 2HG LYS 57 -12.017 -13.669 4.405 417 2HG LYS 57 1HG LYS 57 -12.748 -14.391 2.971 418 1HD LYS 57 2HD LYS 57 -11.149 -15.961 3.560 419 2HD LYS 57 1HD LYS 57 -10.304 -14.999 2.343 420 1HE LYS 57 2HE LYS 57 -10.102 -14.428 5.289 421 2HE LYS 57 1HE LYS 57 -9.019 -15.549 4.466 422 1HZ LYS 57 1HZ LYS 57 -8.817 -13.445 2.870 423 2HZ LYS 57 2HZ LYS 57 -7.809 -13.682 4.207 424 3HZ LYS 57 3HZ LYS 57 -9.141 -12.647 4.327 425 H MET 58 H MET 58 -12.313 -9.277 3.539 426 HA MET 58 HA MET 58 -11.843 -8.009 0.970 427 1HB MET 58 2HB MET 58 -12.110 -6.883 3.761 428 2HB MET 58 1HB MET 58 -11.854 -5.903 2.325 429 1HG MET 58 2HG MET 58 -14.148 -5.803 2.719 430 2HG MET 58 1HG MET 58 -13.968 -6.966 1.407 431 1HE MET 58 1HE MET 58 -15.102 -7.505 5.709 432 2HE MET 58 2HE MET 58 -16.350 -6.852 4.648 433 3HE MET 58 3HE MET 58 -14.785 -6.050 4.763 434 H MET 59 H MET 59 -9.899 -7.575 0.172 435 HA MET 59 HA MET 59 -7.661 -7.011 1.934 436 1HB MET 59 2HB MET 59 -7.481 -9.251 -0.088 437 2HB MET 59 1HB MET 59 -6.208 -8.708 0.997 438 1HG MET 59 2HG MET 59 -7.576 -9.416 2.916 439 2HG MET 59 1HG MET 59 -8.796 -10.018 1.796 440 1HE MET 59 1HE MET 59 -4.501 -11.448 2.108 441 2HE MET 59 2HE MET 59 -5.339 -11.364 3.658 442 3HE MET 59 3HE MET 59 -5.198 -9.922 2.651 443 H LEU 60 H LEU 60 -6.145 -5.691 1.006 444 HA LEU 60 HA LEU 60 -6.629 -4.939 -1.804 445 1HB LEU 60 2HB LEU 60 -7.160 -3.196 -0.100 446 2HB LEU 60 1HB LEU 60 -5.478 -3.216 0.390 447 HG LEU 60 HG LEU 60 -5.013 -2.656 -2.116 448 1HD1 LEU 60 1HD1 LEU 60 -7.928 -2.378 -1.894 449 2HD1 LEU 60 2HD1 LEU 60 -6.912 -2.635 -3.313 450 3HD1 LEU 60 3HD1 LEU 60 -7.097 -1.014 -2.644 451 1HD2 LEU 60 1HD2 LEU 60 -4.507 -1.183 -0.242 452 2HD2 LEU 60 2HD2 LEU 60 -6.183 -0.635 -0.207 453 3HD2 LEU 60 3HD2 LEU 60 -5.165 -0.269 -1.600 454 H ARG 61 H ARG 61 -5.025 -5.285 -3.191 455 HA ARG 61 HA ARG 61 -2.343 -5.840 -2.115 456 1HB ARG 61 2HB ARG 61 -3.499 -7.688 -3.343 457 2HB ARG 61 1HB ARG 61 -3.478 -6.681 -4.785 458 1HG ARG 61 2HG ARG 61 -0.989 -6.616 -4.607 459 2HG ARG 61 1HG ARG 61 -1.112 -7.799 -3.303 460 1HD ARG 61 2HD ARG 61 -2.372 -9.272 -4.906 461 2HD ARG 61 1HD ARG 61 -1.941 -8.131 -6.179 462 HE ARG 61 HE ARG 61 0.196 -8.963 -6.166 463 1HH1 ARG 61 1HH1 ARG 61 -1.483 -10.083 -3.317 464 2HH1 ARG 61 2HH1 ARG 61 -0.234 -11.194 -2.865 465 1HH2 ARG 61 1HH2 ARG 61 1.838 -10.425 -5.573 466 2HH2 ARG 61 2HH2 ARG 61 1.652 -11.388 -4.145 467 H LEU 62 H LEU 62 -0.693 -4.560 -2.644 468 HA LEU 62 HA LEU 62 -1.106 -2.605 -4.811 469 1HB LEU 62 2HB LEU 62 -0.248 -2.280 -2.043 470 2HB LEU 62 1HB LEU 62 0.864 -1.547 -3.184 471 HG LEU 62 HG LEU 62 -1.168 -0.389 -4.197 472 1HD1 LEU 62 1HD1 LEU 62 -2.871 -1.807 -3.168 473 2HD1 LEU 62 2HD1 LEU 62 -3.093 -0.114 -2.725 474 3HD1 LEU 62 3HD1 LEU 62 -2.382 -1.242 -1.571 475 1HD2 LEU 62 1HD2 LEU 62 0.589 0.374 -2.273 476 2HD2 LEU 62 2HD2 LEU 62 -0.950 0.636 -1.452 477 3HD2 LEU 62 3HD2 LEU 62 -0.626 1.431 -2.993 478 H ILE 63 H ILE 63 0.323 -2.558 -6.400 479 HA ILE 63 HA ILE 63 2.710 -4.259 -6.153 480 HB ILE 63 HB ILE 63 1.523 -3.241 -8.728 481 1HG1 ILE 63 2HG1 ILE 63 0.680 -5.724 -8.804 482 2HG1 ILE 63 1HG1 ILE 63 0.791 -5.615 -7.050 483 1HG2 ILE 63 1HG2 ILE 63 3.709 -3.976 -9.111 484 2HG2 ILE 63 2HG2 ILE 63 2.707 -5.361 -9.546 485 3HG2 ILE 63 3HG2 ILE 63 3.546 -5.332 -7.995 486 1HD1 ILE 63 1HD1 ILE 63 -0.689 -3.522 -8.569 487 2HD1 ILE 63 2HD1 ILE 63 -0.902 -4.070 -6.906 488 3HD1 ILE 63 3HD1 ILE 63 -1.443 -5.082 -8.245 489 H GLY 64 H GLY 64 4.703 -3.420 -6.322 490 1HA GLY 64 2HA GLY 64 4.969 -0.542 -6.464 491 2HA GLY 64 1HA GLY 64 6.253 -1.696 -6.135 492 H LYS 65 H LYS 65 7.267 0.010 -7.639 493 HA LYS 65 HA LYS 65 6.639 -0.067 -10.406 494 1HB LYS 65 2HB LYS 65 8.741 1.116 -8.710 495 2HB LYS 65 1HB LYS 65 9.230 0.764 -10.361 496 1HG LYS 65 2HG LYS 65 7.380 2.098 -11.208 497 2HG LYS 65 1HG LYS 65 6.861 2.438 -9.555 498 1HD LYS 65 2HD LYS 65 9.047 3.517 -9.133 499 2HD LYS 65 1HD LYS 65 9.479 3.246 -10.822 500 1HE LYS 65 2HE LYS 65 6.896 4.581 -10.405 501 2HE LYS 65 1HE LYS 65 8.301 5.501 -9.866 502 1HZ LYS 65 1HZ LYS 65 9.051 5.762 -11.965 503 2HZ LYS 65 2HZ LYS 65 7.416 5.563 -12.351 504 3HZ LYS 65 3HZ LYS 65 8.482 4.259 -12.494 505 H VAL 66 H VAL 66 8.271 -0.750 -12.075 506 HA VAL 66 HA VAL 66 9.575 -3.278 -11.305 507 HB VAL 66 HB VAL 66 8.151 -2.808 -13.925 508 1HG1 VAL 66 1HG1 VAL 66 10.151 -4.545 -13.433 509 2HG1 VAL 66 2HG1 VAL 66 8.852 -4.847 -14.589 510 3HG1 VAL 66 3HG1 VAL 66 8.761 -5.526 -12.963 511 1HG2 VAL 66 1HG2 VAL 66 7.061 -4.826 -12.107 512 2HG2 VAL 66 2HG2 VAL 66 6.233 -3.618 -13.089 513 3HG2 VAL 66 3HG2 VAL 66 6.904 -3.170 -11.522 514 H ASP 67 H ASP 67 9.338 -1.240 -14.226 515 HA ASP 67 HA ASP 67 12.174 -1.598 -14.713 516 1HB ASP 67 2HB ASP 67 10.528 -1.714 -16.569 517 2HB ASP 67 1HB ASP 67 10.135 -0.020 -16.295 518 H GLU 68 H GLU 68 13.634 -0.301 -13.840 519 HA GLU 68 HA GLU 68 12.982 2.550 -13.524 520 1HB GLU 68 2HB GLU 68 14.441 0.818 -11.520 521 2HB GLU 68 1HB GLU 68 14.260 2.563 -11.403 522 1HG GLU 68 2HG GLU 68 11.813 2.268 -11.314 523 2HG GLU 68 1HG GLU 68 12.050 0.521 -11.331 524 H SER 69 H SER 69 14.337 1.399 -15.695 525 HA SER 69 HA SER 69 17.149 1.494 -15.408 526 1HB SER 69 2HB SER 69 17.234 1.421 -17.823 527 2HB SER 69 1HB SER 69 15.948 0.347 -17.275 528 HG SER 69 HG SER 69 14.455 1.723 -18.016 529 H LYS 70 H LYS 70 14.759 3.934 -15.741 530 HA LYS 70 HA LYS 70 16.224 5.988 -16.945 531 1HB LYS 70 2HB LYS 70 14.045 6.154 -14.857 532 2HB LYS 70 1HB LYS 70 14.640 7.520 -15.789 533 1HG LYS 70 2HG LYS 70 13.958 6.283 -17.860 534 2HG LYS 70 1HG LYS 70 13.171 5.105 -16.809 535 1HD LYS 70 2HD LYS 70 12.573 8.062 -16.836 536 2HD LYS 70 1HD LYS 70 11.620 6.834 -17.673 537 1HE LYS 70 2HE LYS 70 11.614 5.751 -15.244 538 2HE LYS 70 1HE LYS 70 11.828 7.438 -14.776 539 1HZ LYS 70 1HZ LYS 70 9.584 7.378 -14.864 540 2HZ LYS 70 2HZ LYS 70 9.530 6.126 -16.000 541 3HZ LYS 70 3HZ LYS 70 9.856 7.708 -16.502 542 H LYS 71 H LYS 71 16.147 4.845 -13.626 543 HA LYS 71 HA LYS 71 17.807 7.021 -12.680 544 1HB LYS 71 2HB LYS 71 16.812 4.521 -11.303 545 2HB LYS 71 1HB LYS 71 17.722 5.804 -10.514 546 1HG LYS 71 2HG LYS 71 15.960 7.352 -10.782 547 2HG LYS 71 1HG LYS 71 15.104 6.292 -11.904 548 1HD LYS 71 2HD LYS 71 14.007 6.176 -9.776 549 2HD LYS 71 1HD LYS 71 14.846 4.648 -10.048 550 1HE LYS 71 2HE LYS 71 15.320 5.197 -7.820 551 2HE LYS 71 1HE LYS 71 16.768 5.660 -8.713 552 1HZ LYS 71 1HZ LYS 71 15.878 7.302 -7.023 553 2HZ LYS 71 2HZ LYS 71 14.620 7.603 -8.112 554 3HZ LYS 71 3HZ LYS 71 16.220 7.913 -8.564 555 H ARG 72 H ARG 72 19.950 6.920 -12.162 556 HA ARG 72 HA ARG 72 21.492 4.866 -13.455 557 1HB ARG 72 2HB ARG 72 23.432 6.172 -12.795 558 2HB ARG 72 1HB ARG 72 22.201 7.226 -13.477 559 1HG ARG 72 2HG ARG 72 21.496 7.761 -11.131 560 2HG ARG 72 1HG ARG 72 22.926 6.885 -10.580 561 1HD ARG 72 2HD ARG 72 24.321 8.406 -11.961 562 2HD ARG 72 1HD ARG 72 22.868 9.323 -12.353 563 HE ARG 72 HE ARG 72 22.872 9.312 -9.651 564 1HH1 ARG 72 1HH1 ARG 72 25.281 10.158 -12.030 565 2HH1 ARG 72 2HH1 ARG 72 26.042 11.341 -11.021 566 1HH2 ARG 72 1HH2 ARG 72 23.871 10.868 -8.323 567 2HH2 ARG 72 2HH2 ARG 72 25.243 11.745 -8.916 568 H LYS 73 H LYS 73 22.358 3.104 -12.571 569 HA LYS 73 HA LYS 73 21.798 2.474 -9.821 570 1HB LYS 73 2HB LYS 73 23.331 0.937 -11.926 571 2HB LYS 73 1HB LYS 73 22.875 0.308 -10.348 572 1HG LYS 73 2HG LYS 73 20.489 0.698 -10.970 573 2HG LYS 73 1HG LYS 73 21.043 1.099 -12.597 574 1HD LYS 73 2HD LYS 73 21.568 -1.517 -11.187 575 2HD LYS 73 1HD LYS 73 20.298 -1.250 -12.383 576 1HE LYS 73 2HE LYS 73 22.459 -0.326 -13.724 577 2HE LYS 73 1HE LYS 73 23.202 -1.585 -12.738 578 1HZ LYS 73 1HZ LYS 73 20.729 -2.294 -14.100 579 2HZ LYS 73 2HZ LYS 73 22.128 -3.212 -13.846 580 3HZ LYS 73 3HZ LYS 73 22.085 -2.063 -15.086 581 H ASP 74 H ASP 74 23.277 2.107 -8.170 582 HA ASP 74 HA ASP 74 25.476 3.826 -8.034 583 1HB ASP 74 2HB ASP 74 24.758 1.418 -6.361 584 2HB ASP 74 1HB ASP 74 26.076 2.517 -5.968 585 H ASN 75 H ASN 75 25.194 0.564 -9.144 586 HA ASN 75 HA ASN 75 26.635 -0.727 -10.362 587 1HB ASN 75 2HB ASN 75 27.513 1.567 -11.138 588 2HB ASN 75 1HB ASN 75 28.809 1.313 -9.973 589 1HD2 ASN 75 1HD2 ASN 75 30.570 0.455 -10.780 590 2HD2 ASN 75 2HD2 ASN 75 30.664 -0.593 -12.148 591 H GLU 76 H GLU 76 26.892 0.039 -7.199 592 HA GLU 76 HA GLU 76 29.307 -1.524 -6.694 593 1HB GLU 76 2HB GLU 76 27.524 0.013 -4.797 594 2HB GLU 76 1HB GLU 76 29.002 -0.822 -4.342 595 1HG GLU 76 2HG GLU 76 30.266 0.655 -5.859 596 2HG GLU 76 1HG GLU 76 28.773 1.524 -6.212 597 H GLY 77 H GLY 77 27.132 -2.932 -7.788 598 1HA GLY 77 2HA GLY 77 26.055 -4.937 -7.478 599 2HA GLY 77 1HA GLY 77 26.956 -5.098 -5.979 600 H ASN 78 H ASN 78 24.726 -2.486 -6.768 601 HA ASN 78 HA ASN 78 23.136 -3.229 -4.427 602 1HB ASN 78 2HB ASN 78 23.247 -0.686 -6.057 603 2HB ASN 78 1HB ASN 78 22.138 -0.945 -4.713 604 1HD2 ASN 78 1HD2 ASN 78 23.826 1.148 -4.614 605 2HD2 ASN 78 2HD2 ASN 78 25.062 0.878 -3.438 606 H GLU 79 H GLU 79 22.980 -4.569 -7.103 607 HA GLU 79 HA GLU 79 20.140 -4.026 -7.678 608 1HB GLU 79 2HB GLU 79 21.667 -3.560 -9.570 609 2HB GLU 79 1HB GLU 79 22.216 -5.229 -9.519 610 1HG GLU 79 2HG GLU 79 19.901 -5.959 -9.995 611 2HG GLU 79 1HG GLU 79 19.440 -4.266 -10.162 612 H VAL 80 H VAL 80 18.706 -5.642 -7.462 613 HA VAL 80 HA VAL 80 19.232 -8.377 -7.740 614 HB VAL 80 HB VAL 80 20.559 -8.086 -5.683 615 1HG1 VAL 80 1HG1 VAL 80 18.022 -7.528 -4.191 616 2HG1 VAL 80 2HG1 VAL 80 19.005 -6.217 -4.842 617 3HG1 VAL 80 3HG1 VAL 80 19.692 -7.330 -3.659 618 1HG2 VAL 80 1HG2 VAL 80 18.268 -9.627 -4.664 619 2HG2 VAL 80 2HG2 VAL 80 19.950 -10.105 -4.891 620 3HG2 VAL 80 3HG2 VAL 80 18.844 -10.090 -6.265 621 H VAL 81 H VAL 81 17.234 -6.712 -8.616 622 HA VAL 81 HA VAL 81 14.891 -7.757 -7.169 623 HB VAL 81 HB VAL 81 13.675 -5.684 -8.002 624 1HG1 VAL 81 1HG1 VAL 81 15.769 -4.822 -6.079 625 2HG1 VAL 81 2HG1 VAL 81 14.764 -6.205 -5.648 626 3HG1 VAL 81 3HG1 VAL 81 14.017 -4.647 -5.998 627 1HG2 VAL 81 1HG2 VAL 81 16.522 -4.847 -8.503 628 2HG2 VAL 81 2HG2 VAL 81 15.209 -3.690 -8.281 629 3HG2 VAL 81 3HG2 VAL 81 15.163 -4.828 -9.628 630 HA PRO 82 HA PRO 82 14.821 -9.215 -11.583 631 1HB PRO 82 2HB PRO 82 13.797 -11.669 -10.970 632 2HB PRO 82 1HB PRO 82 15.529 -11.315 -10.993 633 1HG PRO 82 2HG PRO 82 13.650 -11.444 -8.665 634 2HG PRO 82 1HG PRO 82 15.300 -12.078 -8.808 635 1HD PRO 82 2HD PRO 82 14.757 -9.768 -7.526 636 2HD PRO 82 1HD PRO 82 16.261 -10.007 -8.440 637 H LYS 83 H LYS 83 12.473 -9.239 -8.983 638 HA LYS 83 HA LYS 83 10.349 -8.807 -10.972 639 1HB LYS 83 2HB LYS 83 10.449 -10.770 -8.738 640 2HB LYS 83 1HB LYS 83 8.913 -9.973 -9.046 641 1HG LYS 83 2HG LYS 83 9.307 -10.693 -11.499 642 2HG LYS 83 1HG LYS 83 10.462 -11.829 -10.800 643 1HD LYS 83 2HD LYS 83 8.782 -12.910 -9.537 644 2HD LYS 83 1HD LYS 83 7.624 -11.610 -9.826 645 1HE LYS 83 2HE LYS 83 8.177 -12.355 -12.365 646 2HE LYS 83 1HE LYS 83 8.381 -13.893 -11.527 647 1HZ LYS 83 1HZ LYS 83 5.964 -12.210 -11.722 648 2HZ LYS 83 2HZ LYS 83 6.131 -13.350 -10.484 649 3HZ LYS 83 3HZ LYS 83 6.147 -13.849 -12.100 650 HA PRO 84 HA PRO 84 9.240 -5.256 -8.613 651 1HB PRO 84 2HB PRO 84 6.536 -5.211 -8.875 652 2HB PRO 84 1HB PRO 84 7.638 -4.797 -10.193 653 1HG PRO 84 2HG PRO 84 6.194 -7.366 -9.667 654 2HG PRO 84 1HG PRO 84 6.423 -6.505 -11.200 655 1HD PRO 84 2HD PRO 84 7.922 -8.645 -10.502 656 2HD PRO 84 1HD PRO 84 8.567 -7.312 -11.478 657 H GLN 85 H GLN 85 8.345 -4.543 -6.642 658 HA GLN 85 HA GLN 85 7.678 -6.725 -4.802 659 1HB GLN 85 2HB GLN 85 8.298 -5.194 -3.015 660 2HB GLN 85 1HB GLN 85 9.586 -5.284 -4.208 661 1HG GLN 85 2HG GLN 85 8.811 -3.170 -5.183 662 2HG GLN 85 1HG GLN 85 7.555 -3.077 -3.949 663 1HE2 GLN 85 1HE2 GLN 85 8.058 -2.356 -1.947 664 2HE2 GLN 85 2HE2 GLN 85 9.625 -1.799 -1.482 665 H ARG 86 H ARG 86 5.695 -6.955 -3.997 666 HA ARG 86 HA ARG 86 3.824 -4.687 -4.213 667 1HB ARG 86 2HB ARG 86 2.026 -6.282 -4.668 668 2HB ARG 86 1HB ARG 86 3.294 -6.404 -5.880 669 1HG ARG 86 2HG ARG 86 3.496 -8.221 -3.560 670 2HG ARG 86 1HG ARG 86 2.190 -8.527 -4.706 671 1HD ARG 86 2HD ARG 86 3.868 -8.501 -6.537 672 2HD ARG 86 1HD ARG 86 5.136 -8.343 -5.322 673 HE ARG 86 HE ARG 86 3.786 -10.558 -4.539 674 1HH1 ARG 86 1HH1 ARG 86 5.238 -9.575 -7.557 675 2HH1 ARG 86 2HH1 ARG 86 5.604 -11.193 -8.052 676 1HH2 ARG 86 1HH2 ARG 86 4.267 -12.687 -5.189 677 2HH2 ARG 86 2HH2 ARG 86 5.052 -12.960 -6.708 678 H HIS 87 H HIS 87 2.417 -4.350 -2.517 679 HA HIS 87 HA HIS 87 3.040 -5.848 -0.066 680 1HB HIS 87 2HB HIS 87 2.090 -3.041 -0.567 681 2HB HIS 87 1HB HIS 87 1.854 -3.799 1.004 682 HD1 HIS 87 HD1 HIS 87 3.685 -3.374 2.602 683 HD2 HIS 87 HD2 HIS 87 5.004 -3.189 -1.334 684 HE1 HIS 87 HE1 HIS 87 6.112 -2.732 2.737 685 HE2 HIS 87 HE2 HIS 87 6.912 -2.713 0.347 686 H MET 88 H MET 88 1.603 -7.325 0.513 687 HA MET 88 HA MET 88 -1.143 -7.135 -0.454 688 1HB MET 88 2HB MET 88 0.429 -9.256 -0.428 689 2HB MET 88 1HB MET 88 -0.161 -9.408 1.221 690 1HG MET 88 2HG MET 88 -1.872 -9.297 -1.253 691 2HG MET 88 1HG MET 88 -1.458 -10.752 -0.349 692 1HE MET 88 1HE MET 88 -3.163 -9.863 3.140 693 2HE MET 88 2HE MET 88 -1.547 -9.369 2.634 694 3HE MET 88 3HE MET 88 -2.112 -11.007 2.304 695 H PHE 89 H PHE 89 -2.679 -6.270 0.758 696 HA PHE 89 HA PHE 89 -2.318 -6.237 3.681 697 1HB PHE 89 2HB PHE 89 -3.665 -4.275 1.829 698 2HB PHE 89 1HB PHE 89 -3.932 -4.263 3.569 699 HD1 PHE 89 HD1 PHE 89 -1.590 -3.540 0.881 700 HD2 PHE 89 HD2 PHE 89 -2.144 -3.650 5.098 701 HE1 PHE 89 HE1 PHE 89 0.430 -2.168 1.177 702 HE2 PHE 89 HE2 PHE 89 -0.123 -2.275 5.403 703 HZ PHE 89 HZ PHE 89 1.167 -1.533 3.441 704 H SER 90 H SER 90 -4.274 -6.343 4.978 705 HA SER 90 HA SER 90 -6.466 -7.798 3.650 706 1HB SER 90 2HB SER 90 -4.699 -8.971 5.391 707 2HB SER 90 1HB SER 90 -6.011 -8.498 6.470 708 HG SER 90 HG SER 90 -7.386 -9.788 5.394 709 H PHE 91 H PHE 91 -8.342 -6.781 3.859 710 HA PHE 91 HA PHE 91 -8.642 -4.798 5.989 711 1HB PHE 91 2HB PHE 91 -9.872 -5.168 3.290 712 2HB PHE 91 1HB PHE 91 -10.746 -4.253 4.515 713 HD1 PHE 91 HD1 PHE 91 -10.096 -2.075 5.116 714 HD2 PHE 91 HD2 PHE 91 -7.651 -4.406 2.533 715 HE1 PHE 91 HE1 PHE 91 -8.755 -0.073 4.582 716 HE2 PHE 91 HE2 PHE 91 -6.308 -2.422 1.993 717 HZ PHE 91 HZ PHE 91 -6.858 -0.247 3.018 718 H ASN 92 H ASN 92 -10.334 -4.784 7.396 719 HA ASN 92 HA ASN 92 -11.820 -7.301 7.614 720 1HB ASN 92 2HB ASN 92 -10.839 -5.283 9.559 721 2HB ASN 92 1HB ASN 92 -12.377 -6.055 9.933 722 1HD2 ASN 92 1HD2 ASN 92 -9.590 -7.426 8.267 723 2HD2 ASN 92 2HD2 ASN 92 -9.267 -8.654 9.439 724 H ASN 93 H ASN 93 -12.306 -4.569 6.054 725 HA ASN 93 HA ASN 93 -15.160 -4.733 6.305 726 1HB ASN 93 2HB ASN 93 -14.256 -3.080 8.096 727 2HB ASN 93 1HB ASN 93 -14.002 -2.000 6.728 728 1HD2 ASN 93 1HD2 ASN 93 -15.575 -0.597 6.523 729 2HD2 ASN 93 2HD2 ASN 93 -17.250 -0.885 6.822 730 H ARG 94 H ARG 94 -16.105 -4.392 4.400 731 HA ARG 94 HA ARG 94 -14.604 -3.971 2.070 732 1HB ARG 94 2HB ARG 94 -17.577 -3.714 2.545 733 2HB ARG 94 1HB ARG 94 -16.826 -3.698 0.956 734 1HG ARG 94 2HG ARG 94 -15.911 -5.963 1.442 735 2HG ARG 94 1HG ARG 94 -16.862 -5.968 2.929 736 1HD ARG 94 2HD ARG 94 -18.891 -5.544 1.495 737 2HD ARG 94 1HD ARG 94 -17.868 -5.851 0.092 738 HE ARG 94 HE ARG 94 -17.646 -7.988 1.914 739 1HH1 ARG 94 1HH1 ARG 94 -19.900 -6.588 -0.352 740 2HH1 ARG 94 2HH1 ARG 94 -20.698 -8.089 -0.678 741 1HH2 ARG 94 1HH2 ARG 94 -18.694 -9.965 1.486 742 2HH2 ARG 94 2HH2 ARG 94 -20.014 -10.007 0.366 743 H THR 95 H THR 95 -16.562 -1.753 4.019 744 HA THR 95 HA THR 95 -16.427 0.442 2.306 745 HB THR 95 HB THR 95 -16.500 0.901 5.218 746 HG1 THR 95 HG1 THR 95 -18.555 -0.557 3.933 747 1HG2 THR 95 1HG2 THR 95 -17.168 2.615 3.571 748 2HG2 THR 95 2HG2 THR 95 -18.439 2.199 4.722 749 3HG2 THR 95 3HG2 THR 95 -18.489 1.556 3.081 750 H VAL 96 H VAL 96 -14.376 -0.644 4.927 751 HA VAL 96 HA VAL 96 -12.646 1.608 4.859 752 HB VAL 96 HB VAL 96 -12.147 -1.131 6.027 753 1HG1 VAL 96 1HG1 VAL 96 -10.548 1.347 5.940 754 2HG1 VAL 96 2HG1 VAL 96 -10.033 -0.332 6.094 755 3HG1 VAL 96 3HG1 VAL 96 -10.638 0.537 7.504 756 1HG2 VAL 96 1HG2 VAL 96 -13.284 -0.538 7.868 757 2HG2 VAL 96 2HG2 VAL 96 -14.049 0.654 6.818 758 3HG2 VAL 96 3HG2 VAL 96 -12.679 1.118 7.828 759 H MET 97 H MET 97 -12.725 -1.506 3.319 760 HA MET 97 HA MET 97 -10.070 -1.286 2.234 761 1HB MET 97 2HB MET 97 -10.341 -3.422 1.463 762 2HB MET 97 1HB MET 97 -11.541 -3.426 2.745 763 1HG MET 97 2HG MET 97 -12.860 -4.274 1.148 764 2HG MET 97 1HG MET 97 -13.056 -2.586 0.686 765 1HE MET 97 1HE MET 97 -13.185 -5.461 -1.551 766 2HE MET 97 2HE MET 97 -12.294 -5.939 -0.106 767 3HE MET 97 3HE MET 97 -11.506 -5.988 -1.683 768 H ASP 98 H ASP 98 -13.308 -0.484 1.224 769 HA ASP 98 HA ASP 98 -12.526 0.014 -1.498 770 1HB ASP 98 2HB ASP 98 -15.117 0.511 -0.030 771 2HB ASP 98 1HB ASP 98 -14.878 0.834 -1.744 772 H ASN 99 H ASN 99 -12.824 1.768 1.451 773 HA ASN 99 HA ASN 99 -12.975 4.363 0.288 774 1HB ASN 99 2HB ASN 99 -12.604 3.272 3.029 775 2HB ASN 99 1HB ASN 99 -12.088 4.931 2.738 776 1HD2 ASN 99 1HD2 ASN 99 -14.793 3.157 1.325 777 2HD2 ASN 99 2HD2 ASN 99 -16.027 4.203 1.935 778 H ILE 100 H ILE 100 -10.427 2.230 1.278 779 HA ILE 100 HA ILE 100 -8.358 4.231 0.982 780 HB ILE 100 HB ILE 100 -8.126 1.248 1.413 781 1HG1 ILE 100 2HG1 ILE 100 -9.241 2.515 3.255 782 2HG1 ILE 100 1HG1 ILE 100 -7.722 1.768 3.736 783 1HG2 ILE 100 1HG2 ILE 100 -5.803 1.798 2.120 784 2HG2 ILE 100 2HG2 ILE 100 -6.056 3.434 1.514 785 3HG2 ILE 100 3HG2 ILE 100 -6.114 2.064 0.405 786 1HD1 ILE 100 1HD1 ILE 100 -6.592 3.871 3.648 787 2HD1 ILE 100 2HD1 ILE 100 -8.059 4.062 4.608 788 3HD1 ILE 100 3HD1 ILE 100 -8.008 4.655 2.948 789 H LYS 101 H LYS 101 -9.476 1.343 -0.744 790 HA LYS 101 HA LYS 101 -7.537 1.312 -2.757 791 1HB LYS 101 2HB LYS 101 -9.107 -0.539 -2.341 792 2HB LYS 101 1HB LYS 101 -10.432 0.454 -2.932 793 1HG LYS 101 2HG LYS 101 -9.305 0.566 -5.133 794 2HG LYS 101 1HG LYS 101 -8.076 -0.543 -4.520 795 1HD LYS 101 2HD LYS 101 -9.487 -2.039 -5.519 796 2HD LYS 101 1HD LYS 101 -10.199 -1.991 -3.904 797 1HE LYS 101 2HE LYS 101 -11.854 -1.826 -5.762 798 2HE LYS 101 1HE LYS 101 -11.902 -0.480 -4.624 799 1HZ LYS 101 1HZ LYS 101 -10.277 -0.270 -7.068 800 2HZ LYS 101 2HZ LYS 101 -10.992 0.958 -6.152 801 3HZ LYS 101 3HZ LYS 101 -11.948 -0.017 -7.151 802 H MET 102 H MET 102 -10.458 3.198 -2.385 803 HA MET 102 HA MET 102 -10.433 4.214 -5.064 804 1HB MET 102 2HB MET 102 -12.535 4.018 -3.844 805 2HB MET 102 1HB MET 102 -11.942 5.127 -2.616 806 1HG MET 102 2HG MET 102 -13.284 6.483 -3.889 807 2HG MET 102 1HG MET 102 -11.692 6.787 -4.582 808 1HE MET 102 1HE MET 102 -15.454 5.775 -6.159 809 2HE MET 102 2HE MET 102 -14.908 5.144 -4.605 810 3HE MET 102 3HE MET 102 -14.951 4.090 -6.019 811 H THR 103 H THR 103 -9.634 5.517 -1.897 812 HA THR 103 HA THR 103 -8.828 8.057 -2.804 813 HB THR 103 HB THR 103 -9.336 7.202 -0.386 814 HG1 THR 103 HG1 THR 103 -8.642 9.358 -1.083 815 1HG2 THR 103 1HG2 THR 103 -7.555 5.560 -0.206 816 2HG2 THR 103 2HG2 THR 103 -7.359 6.847 0.982 817 3HG2 THR 103 3HG2 THR 103 -6.353 6.824 -0.467 818 H LEU 104 H LEU 104 -7.087 5.037 -2.315 819 HA LEU 104 HA LEU 104 -4.497 6.054 -2.805 820 1HB LEU 104 2HB LEU 104 -5.687 3.296 -3.012 821 2HB LEU 104 1HB LEU 104 -4.002 3.611 -3.382 822 HG LEU 104 HG LEU 104 -5.359 4.019 -0.717 823 1HD1 LEU 104 1HD1 LEU 104 -3.818 2.268 0.032 824 2HD1 LEU 104 2HD1 LEU 104 -3.228 2.087 -1.621 825 3HD1 LEU 104 3HD1 LEU 104 -4.902 1.689 -1.234 826 1HD2 LEU 104 1HD2 LEU 104 -2.557 4.649 -1.626 827 2HD2 LEU 104 2HD2 LEU 104 -3.038 4.532 0.066 828 3HD2 LEU 104 3HD2 LEU 104 -3.755 5.765 -0.971 829 H GLN 105 H GLN 105 -7.081 4.935 -4.890 830 HA GLN 105 HA GLN 105 -5.551 4.685 -7.253 831 1HB GLN 105 2HB GLN 105 -8.487 5.086 -6.738 832 2HB GLN 105 1HB GLN 105 -7.842 5.011 -8.372 833 1HG GLN 105 2HG GLN 105 -7.109 2.828 -6.510 834 2HG GLN 105 1HG GLN 105 -8.768 2.878 -7.104 835 1HE2 GLN 105 1HE2 GLN 105 -5.414 2.544 -7.985 836 2HE2 GLN 105 2HE2 GLN 105 -5.686 1.883 -9.558 837 H GLN 106 H GLN 106 -7.122 7.368 -5.692 838 HA GLN 106 HA GLN 106 -7.010 9.188 -7.845 839 1HB GLN 106 2HB GLN 106 -7.024 9.679 -4.861 840 2HB GLN 106 1HB GLN 106 -7.210 10.941 -6.070 841 1HG GLN 106 2HG GLN 106 -9.254 9.909 -6.867 842 2HG GLN 106 1HG GLN 106 -9.057 8.591 -5.712 843 1HE2 GLN 106 1HE2 GLN 106 -11.351 10.097 -5.782 844 2HE2 GLN 106 2HE2 GLN 106 -11.456 11.057 -4.350 845 H ILE 107 H ILE 107 -4.758 8.414 -5.240 846 HA ILE 107 HA ILE 107 -2.854 10.402 -5.704 847 HB ILE 107 HB ILE 107 -2.421 7.564 -4.757 848 1HG1 ILE 107 2HG1 ILE 107 -2.587 10.081 -3.100 849 2HG1 ILE 107 1HG1 ILE 107 -3.993 9.077 -3.441 850 1HG2 ILE 107 1HG2 ILE 107 -0.246 7.968 -4.722 851 2HG2 ILE 107 2HG2 ILE 107 -0.506 9.389 -3.710 852 3HG2 ILE 107 3HG2 ILE 107 -0.528 9.540 -5.468 853 1HD1 ILE 107 1HD1 ILE 107 -3.473 7.755 -1.754 854 2HD1 ILE 107 2HD1 ILE 107 -2.093 8.789 -1.385 855 3HD1 ILE 107 3HD1 ILE 107 -1.899 7.415 -2.473 856 H ILE 108 H ILE 108 -3.244 7.194 -7.114 857 HA ILE 108 HA ILE 108 -0.984 7.011 -8.703 858 HB ILE 108 HB ILE 108 -3.691 6.169 -9.692 859 1HG1 ILE 108 2HG1 ILE 108 -3.742 5.378 -7.473 860 2HG1 ILE 108 1HG1 ILE 108 -3.234 4.000 -8.443 861 1HG2 ILE 108 1HG2 ILE 108 -0.880 5.241 -10.115 862 2HG2 ILE 108 2HG2 ILE 108 -2.092 5.725 -11.302 863 3HG2 ILE 108 3HG2 ILE 108 -2.256 4.187 -10.453 864 1HD1 ILE 108 1HD1 ILE 108 -1.343 5.783 -6.935 865 2HD1 ILE 108 2HD1 ILE 108 -0.969 4.259 -7.740 866 3HD1 ILE 108 3HD1 ILE 108 -2.000 4.272 -6.310 867 H SER 109 H SER 109 -4.126 8.295 -9.509 868 HA SER 109 HA SER 109 -3.644 9.153 -12.099 869 1HB SER 109 2HB SER 109 -5.881 9.099 -11.013 870 2HB SER 109 1HB SER 109 -5.432 10.531 -10.088 871 HG SER 109 HG SER 109 -5.481 10.388 -12.922 872 H ARG 110 H ARG 110 -2.730 10.623 -9.094 873 HA ARG 110 HA ARG 110 -2.100 13.175 -10.165 874 1HB ARG 110 2HB ARG 110 -1.157 11.865 -7.615 875 2HB ARG 110 1HB ARG 110 -0.941 13.561 -8.020 876 1HG ARG 110 2HG ARG 110 -3.397 13.818 -8.096 877 2HG ARG 110 1HG ARG 110 -3.557 12.138 -7.577 878 1HD ARG 110 2HD ARG 110 -2.195 12.732 -5.557 879 2HD ARG 110 1HD ARG 110 -2.309 14.421 -6.055 880 HE ARG 110 HE ARG 110 -4.894 13.378 -5.954 881 1HH1 ARG 110 1HH1 ARG 110 -2.268 14.108 -3.775 882 2HH1 ARG 110 2HH1 ARG 110 -3.308 14.414 -2.425 883 1HH2 ARG 110 1HH2 ARG 110 -6.264 13.782 -4.179 884 2HH2 ARG 110 2HH2 ARG 110 -5.577 14.230 -2.654 885 H TYR 111 H TYR 111 -0.318 10.229 -9.622 886 HA TYR 111 HA TYR 111 2.233 11.349 -10.266 887 1HB TYR 111 2HB TYR 111 1.211 8.549 -9.898 888 2HB TYR 111 1HB TYR 111 2.834 8.839 -10.517 889 HD1 TYR 111 HD1 TYR 111 0.784 8.616 -7.594 890 HD2 TYR 111 HD2 TYR 111 4.420 10.239 -9.090 891 HE1 TYR 111 HE1 TYR 111 1.609 8.874 -5.292 892 HE2 TYR 111 HE2 TYR 111 5.256 10.500 -6.792 893 HH TYR 111 HH TYR 111 3.232 10.154 -4.050 894 H LYS 112 H LYS 112 -0.345 9.852 -12.024 895 HA LYS 112 HA LYS 112 1.142 9.408 -14.419 896 1HB LYS 112 2HB LYS 112 -1.809 9.391 -13.803 897 2HB LYS 112 1HB LYS 112 -1.171 9.076 -15.411 898 1HG LYS 112 2HG LYS 112 -0.356 7.031 -14.844 899 2HG LYS 112 1HG LYS 112 -0.070 7.489 -13.163 900 1HD LYS 112 2HD LYS 112 -1.877 5.882 -13.279 901 2HD LYS 112 1HD LYS 112 -2.507 7.450 -12.770 902 1HE LYS 112 2HE LYS 112 -4.025 6.563 -14.374 903 2HE LYS 112 1HE LYS 112 -3.137 7.868 -15.159 904 1HZ LYS 112 1HZ LYS 112 -3.114 5.018 -15.708 905 2HZ LYS 112 2HZ LYS 112 -1.607 5.782 -15.778 906 3HZ LYS 112 3HZ LYS 112 -2.876 6.326 -16.754 907 H ASP 113 H ASP 113 -0.791 11.996 -13.096 908 HA ASP 113 HA ASP 113 -1.299 13.462 -15.420 909 1HB ASP 113 2HB ASP 113 -2.300 13.910 -13.177 910 2HB ASP 113 1HB ASP 113 -0.755 14.584 -12.665 911 H ALA 114 H ALA 114 1.540 13.342 -13.342 912 HA ALA 114 HA ALA 114 2.917 15.547 -14.393 913 1HB ALA 114 1HB ALA 114 3.540 14.395 -12.309 914 2HB ALA 114 2HB ALA 114 4.906 14.577 -13.410 915 3HB ALA 114 3HB ALA 114 4.098 13.015 -13.256 916 H ASP 115 H ASP 115 2.595 12.246 -15.520 917 HA ASP 115 HA ASP 115 4.576 12.657 -17.617 918 1HB ASP 115 2HB ASP 115 4.482 10.496 -16.397 919 2HB ASP 115 1HB ASP 115 2.864 10.231 -17.038 Start of MODEL 6 1 HT1 PRO 1 HT2 PRO 1 -13.950 9.367 6.399 2 HT2 PRO 1 HT1 PRO 1 -13.665 10.267 4.979 3 HA PRO 1 HA PRO 1 -14.801 7.760 5.293 4 1HB PRO 1 2HB PRO 1 -16.708 8.801 3.551 5 2HB PRO 1 1HB PRO 1 -16.988 8.309 5.225 6 1HG PRO 1 2HG PRO 1 -16.525 11.028 4.104 7 2HG PRO 1 1HG PRO 1 -17.538 10.534 5.469 8 1HD PRO 1 2HD PRO 1 -15.135 11.752 5.799 9 2HD PRO 1 1HD PRO 1 -15.766 10.563 6.956 10 H SER 2 H SER 2 -12.455 8.863 4.244 11 HA SER 2 HA SER 2 -12.539 7.817 1.573 12 1HB SER 2 2HB SER 2 -13.274 10.301 1.448 13 2HB SER 2 1HB SER 2 -11.580 10.661 1.776 14 HG SER 2 HG SER 2 -12.659 9.222 -0.412 15 H HIS 3 H HIS 3 -10.673 9.707 3.924 16 HA HIS 3 HA HIS 3 -8.235 8.329 3.042 17 1HB HIS 3 2HB HIS 3 -8.707 10.878 4.574 18 2HB HIS 3 1HB HIS 3 -7.133 10.090 4.566 19 HD1 HIS 3 HD1 HIS 3 -9.642 11.133 1.887 20 HD2 HIS 3 HD2 HIS 3 -5.559 11.150 2.656 21 HE1 HIS 3 HE1 HIS 3 -8.586 12.233 -0.111 22 HE2 HIS 3 HE2 HIS 3 -6.109 12.155 0.337 23 H SER 4 H SER 4 -6.709 7.639 4.733 24 HA SER 4 HA SER 4 -6.197 6.317 6.511 25 1HB SER 4 2HB SER 4 -6.825 7.087 8.643 26 2HB SER 4 1HB SER 4 -6.882 8.535 7.639 27 HG SER 4 HG SER 4 -8.750 8.374 8.910 28 H GLY 5 H GLY 5 -7.178 4.781 8.205 29 1HA GLY 5 2HA GLY 5 -9.574 3.720 8.473 30 2HA GLY 5 1HA GLY 5 -9.234 3.233 6.817 31 H ALA 6 H ALA 6 -9.637 1.571 9.207 32 HA ALA 6 HA ALA 6 -7.137 0.549 10.056 33 1HB ALA 6 1HB ALA 6 -8.431 -1.319 10.981 34 2HB ALA 6 2HB ALA 6 -9.868 -0.711 10.157 35 3HB ALA 6 3HB ALA 6 -9.104 0.251 11.422 36 H ALA 7 H ALA 7 -5.945 -1.153 9.361 37 HA ALA 7 HA ALA 7 -6.900 -2.926 7.309 38 1HB ALA 7 1HB ALA 7 -6.259 -0.982 5.979 39 2HB ALA 7 2HB ALA 7 -5.211 -2.361 5.646 40 3HB ALA 7 3HB ALA 7 -4.637 -1.045 6.671 41 H ILE 8 H ILE 8 -5.624 -4.783 7.029 42 HA ILE 8 HA ILE 8 -3.686 -5.230 9.177 43 HB ILE 8 HB ILE 8 -4.824 -7.243 7.247 44 1HG1 ILE 8 2HG1 ILE 8 -5.751 -6.808 10.076 45 2HG1 ILE 8 1HG1 ILE 8 -6.531 -6.033 8.696 46 1HG2 ILE 8 1HG2 ILE 8 -3.794 -7.886 9.970 47 2HG2 ILE 8 2HG2 ILE 8 -2.659 -7.655 8.643 48 3HG2 ILE 8 3HG2 ILE 8 -3.895 -8.905 8.536 49 1HD1 ILE 8 1HD1 ILE 8 -6.101 -8.975 8.695 50 2HD1 ILE 8 2HD1 ILE 8 -7.327 -8.009 7.866 51 3HD1 ILE 8 3HD1 ILE 8 -7.444 -8.275 9.607 52 H PHE 9 H PHE 9 -1.616 -5.886 8.836 53 HA PHE 9 HA PHE 9 -0.670 -6.297 6.116 54 1HB PHE 9 2HB PHE 9 -0.377 -3.893 6.457 55 2HB PHE 9 1HB PHE 9 0.510 -4.198 7.944 56 HD1 PHE 9 HD1 PHE 9 2.757 -3.848 7.757 57 HD2 PHE 9 HD2 PHE 9 0.651 -5.465 4.436 58 HE1 PHE 9 HE1 PHE 9 4.861 -3.953 6.483 59 HE2 PHE 9 HE2 PHE 9 2.749 -5.576 3.153 60 HZ PHE 9 HZ PHE 9 4.857 -4.820 4.177 61 H GLU 10 H GLU 10 0.114 -8.277 6.340 62 HA GLU 10 HA GLU 10 1.594 -9.914 6.889 63 1HB GLU 10 2HB GLU 10 2.688 -8.066 9.006 64 2HB GLU 10 1HB GLU 10 3.458 -9.501 8.348 65 1HG GLU 10 2HG GLU 10 3.573 -8.386 6.150 66 2HG GLU 10 1HG GLU 10 2.900 -6.932 6.885 67 H LYS 11 H LYS 11 -0.918 -10.126 7.798 68 HA LYS 11 HA LYS 11 -2.224 -11.230 9.255 69 1HB LYS 11 2HB LYS 11 0.508 -12.171 9.918 70 2HB LYS 11 1HB LYS 11 -0.820 -12.650 10.968 71 1HG LYS 11 2HG LYS 11 -1.080 -12.994 8.023 72 2HG LYS 11 1HG LYS 11 -0.105 -14.142 8.947 73 1HD LYS 11 2HD LYS 11 -2.081 -14.472 10.453 74 2HD LYS 11 1HD LYS 11 -3.023 -13.489 9.331 75 1HE LYS 11 2HE LYS 11 -2.939 -15.082 7.657 76 2HE LYS 11 1HE LYS 11 -1.488 -15.839 8.312 77 1HZ LYS 11 1HZ LYS 11 -2.973 -17.357 9.013 78 2HZ LYS 11 2HZ LYS 11 -4.277 -16.280 8.991 79 3HZ LYS 11 3HZ LYS 11 -3.199 -16.276 10.294 80 H VAL 12 H VAL 12 -0.874 -8.510 10.031 81 HA VAL 12 HA VAL 12 -1.829 -8.593 12.786 82 HB VAL 12 HB VAL 12 0.501 -6.987 11.736 83 1HG1 VAL 12 1HG1 VAL 12 -0.682 -6.989 14.510 84 2HG1 VAL 12 2HG1 VAL 12 -0.873 -5.696 13.326 85 3HG1 VAL 12 3HG1 VAL 12 0.725 -6.074 13.970 86 1HG2 VAL 12 1HG2 VAL 12 1.484 -8.315 13.837 87 2HG2 VAL 12 2HG2 VAL 12 1.510 -8.960 12.197 88 3HG2 VAL 12 3HG2 VAL 12 0.250 -9.465 13.324 89 H SER 13 H SER 13 -3.204 -6.932 13.370 90 HA SER 13 HA SER 13 -4.089 -5.262 11.126 91 1HB SER 13 2HB SER 13 -5.573 -5.691 13.720 92 2HB SER 13 1HB SER 13 -6.216 -5.126 12.178 93 HG SER 13 HG SER 13 -6.307 -7.537 12.992 94 H GLY 14 H GLY 14 -4.463 -3.103 11.311 95 1HA GLY 14 2HA GLY 14 -3.982 -1.607 13.692 96 2HA GLY 14 1HA GLY 14 -2.611 -1.533 12.588 97 H ILE 15 H ILE 15 -3.568 0.838 12.958 98 HA ILE 15 HA ILE 15 -5.702 1.360 11.047 99 HB ILE 15 HB ILE 15 -4.289 3.175 12.994 100 1HG1 ILE 15 2HG1 ILE 15 -6.471 1.360 13.204 101 2HG1 ILE 15 1HG1 ILE 15 -5.842 2.450 14.436 102 1HG2 ILE 15 1HG2 ILE 15 -6.495 3.826 11.039 103 2HG2 ILE 15 2HG2 ILE 15 -4.856 4.477 11.038 104 3HG2 ILE 15 3HG2 ILE 15 -5.963 4.880 12.350 105 1HD1 ILE 15 1HD1 ILE 15 -7.334 4.223 13.506 106 2HD1 ILE 15 2HD1 ILE 15 -8.175 2.842 14.211 107 3HD1 ILE 15 3HD1 ILE 15 -8.042 2.993 12.458 108 H ILE 16 H ILE 16 -5.398 2.062 9.076 109 HA ILE 16 HA ILE 16 -2.686 2.725 8.207 110 HB ILE 16 HB ILE 16 -4.922 1.251 7.078 111 1HG1 ILE 16 2HG1 ILE 16 -1.994 1.561 6.424 112 2HG1 ILE 16 1HG1 ILE 16 -2.781 0.259 7.305 113 1HG2 ILE 16 1HG2 ILE 16 -3.745 3.443 5.379 114 2HG2 ILE 16 2HG2 ILE 16 -5.444 3.133 5.730 115 3HG2 ILE 16 3HG2 ILE 16 -4.539 2.020 4.707 116 1HD1 ILE 16 1HD1 ILE 16 -2.899 -0.882 5.419 117 2HD1 ILE 16 2HD1 ILE 16 -2.267 0.490 4.509 118 3HD1 ILE 16 3HD1 ILE 16 -4.002 0.340 4.785 119 H ALA 17 H ALA 17 -2.194 4.786 7.874 120 HA ALA 17 HA ALA 17 -4.363 6.665 7.196 121 1HB ALA 17 1HB ALA 17 -3.029 8.417 8.308 122 2HB ALA 17 2HB ALA 17 -1.868 7.187 8.808 123 3HB ALA 17 3HB ALA 17 -3.523 7.134 9.413 124 H ILE 18 H ILE 18 -4.025 8.113 5.553 125 HA ILE 18 HA ILE 18 -1.648 7.616 3.907 126 HB ILE 18 HB ILE 18 -4.485 8.150 3.307 127 1HG1 ILE 18 2HG1 ILE 18 -2.406 6.939 1.505 128 2HG1 ILE 18 1HG1 ILE 18 -3.050 6.047 2.880 129 1HG2 ILE 18 1HG2 ILE 18 -2.297 9.541 1.809 130 2HG2 ILE 18 2HG2 ILE 18 -3.826 10.188 2.405 131 3HG2 ILE 18 3HG2 ILE 18 -3.811 9.090 1.025 132 1HD1 ILE 18 1HD1 ILE 18 -5.352 6.751 1.792 133 2HD1 ILE 18 2HD1 ILE 18 -4.463 5.322 1.264 134 3HD1 ILE 18 3HD1 ILE 18 -4.355 6.819 0.339 135 H ASN 19 H ASN 19 -0.113 9.078 4.315 136 HA ASN 19 HA ASN 19 -0.878 11.842 4.902 137 1HB ASN 19 2HB ASN 19 0.744 10.591 6.387 138 2HB ASN 19 1HB ASN 19 1.885 10.627 5.045 139 1HD2 ASN 19 1HD2 ASN 19 3.215 11.771 6.619 140 2HD2 ASN 19 2HD2 ASN 19 3.020 13.478 6.790 141 H GLU 20 H GLU 20 -1.103 13.076 3.157 142 HA GLU 20 HA GLU 20 0.511 12.565 0.790 143 1HB GLU 20 2HB GLU 20 -1.743 14.526 1.270 144 2HB GLU 20 1HB GLU 20 -0.933 14.282 -0.273 145 1HG GLU 20 2HG GLU 20 -1.684 11.934 -0.260 146 2HG GLU 20 1HG GLU 20 -2.561 12.250 1.237 147 H ASP 21 H ASP 21 0.557 14.601 3.523 148 HA ASP 21 HA ASP 21 1.641 16.962 2.577 149 1HB ASP 21 2HB ASP 21 0.987 16.484 4.950 150 2HB ASP 21 1HB ASP 21 2.475 15.560 5.122 151 H VAL 22 H VAL 22 3.036 13.821 2.730 152 HA VAL 22 HA VAL 22 5.748 14.716 2.447 153 HB VAL 22 HB VAL 22 4.948 11.934 1.870 154 1HG1 VAL 22 1HG1 VAL 22 7.338 13.386 2.775 155 2HG1 VAL 22 2HG1 VAL 22 7.196 11.968 1.735 156 3HG1 VAL 22 3HG1 VAL 22 7.087 11.791 3.487 157 1HG2 VAL 22 1HG2 VAL 22 5.323 11.718 4.508 158 2HG2 VAL 22 2HG2 VAL 22 3.730 11.918 3.778 159 3HG2 VAL 22 3HG2 VAL 22 4.574 13.313 4.451 160 H SER 23 H SER 23 7.077 14.275 0.607 161 HA SER 23 HA SER 23 5.647 13.725 -1.887 162 1HB SER 23 2HB SER 23 7.313 15.656 -2.769 163 2HB SER 23 1HB SER 23 5.652 15.968 -2.265 164 HG SER 23 HG SER 23 6.368 17.021 -0.588 165 HA PRO 24 HA PRO 24 5.679 12.299 -3.307 166 1HB PRO 24 2HB PRO 24 6.445 9.488 -2.920 167 2HB PRO 24 1HB PRO 24 5.966 10.326 -4.398 168 1HG PRO 24 2HG PRO 24 8.500 9.531 -3.976 169 2HG PRO 24 1HG PRO 24 8.117 11.019 -4.862 170 1HD PRO 24 2HD PRO 24 9.004 10.680 -2.019 171 2HD PRO 24 1HD PRO 24 9.510 11.888 -3.222 172 H ALA 25 H ALA 25 3.764 11.591 -2.387 173 HA ALA 25 HA ALA 25 3.482 11.692 0.373 174 1HB ALA 25 1HB ALA 25 1.609 12.086 -1.093 175 2HB ALA 25 2HB ALA 25 1.217 10.758 -0.000 176 3HB ALA 25 3HB ALA 25 1.663 10.420 -1.672 177 H GLU 26 H GLU 26 2.394 9.844 1.679 178 HA GLU 26 HA GLU 26 3.457 7.210 1.049 179 1HB GLU 26 2HB GLU 26 4.246 8.688 3.563 180 2HB GLU 26 1HB GLU 26 4.584 6.994 3.237 181 1HG GLU 26 2HG GLU 26 5.933 7.655 1.295 182 2HG GLU 26 1HG GLU 26 5.626 9.347 1.679 183 H LEU 27 H LEU 27 2.715 5.540 2.537 184 HA LEU 27 HA LEU 27 0.150 6.233 3.809 185 1HB LEU 27 2HB LEU 27 -0.350 4.896 1.928 186 2HB LEU 27 1HB LEU 27 1.000 3.820 2.231 187 HG LEU 27 HG LEU 27 -0.144 2.901 4.186 188 1HD1 LEU 27 1HD1 LEU 27 -2.769 3.955 3.717 189 2HD1 LEU 27 2HD1 LEU 27 -1.638 5.266 4.048 190 3HD1 LEU 27 3HD1 LEU 27 -1.813 3.942 5.200 191 1HD2 LEU 27 1HD2 LEU 27 -0.592 1.618 2.321 192 2HD2 LEU 27 2HD2 LEU 27 -1.510 2.899 1.529 193 3HD2 LEU 27 3HD2 LEU 27 -2.215 2.019 2.885 194 H THR 28 H THR 28 0.301 6.126 5.979 195 HA THR 28 HA THR 28 2.340 4.511 7.211 196 HB THR 28 HB THR 28 0.514 5.998 8.919 197 HG1 THR 28 HG1 THR 28 1.955 7.404 6.933 198 1HG2 THR 28 1HG2 THR 28 3.441 6.319 8.401 199 2HG2 THR 28 2HG2 THR 28 2.736 5.262 9.623 200 3HG2 THR 28 3HG2 THR 28 2.534 7.010 9.745 201 H TRP 29 H TRP 29 1.952 2.933 8.744 202 HA TRP 29 HA TRP 29 -0.799 2.017 9.121 203 1HB TRP 29 2HB TRP 29 0.203 0.599 7.386 204 2HB TRP 29 1HB TRP 29 1.565 0.249 8.449 205 HD1 TRP 29 HD1 TRP 29 -2.258 0.073 9.016 206 HE1 TRP 29 HE1 TRP 29 -2.820 -2.245 10.011 207 HE3 TRP 29 HE3 TRP 29 2.441 -1.928 9.110 208 HZ2 TRP 29 HZ2 TRP 29 -1.445 -4.575 10.735 209 HZ3 TRP 29 HZ3 TRP 29 2.730 -4.217 9.978 210 HH2 TRP 29 HH2 TRP 29 0.814 -5.517 10.771 211 H ARG 30 H ARG 30 -1.124 2.264 11.244 212 HA ARG 30 HA ARG 30 1.091 1.636 13.074 213 1HB ARG 30 2HB ARG 30 0.060 3.876 13.302 214 2HB ARG 30 1HB ARG 30 -1.492 3.117 13.628 215 1HG ARG 30 2HG ARG 30 -0.512 2.062 15.636 216 2HG ARG 30 1HG ARG 30 0.985 2.944 15.328 217 1HD ARG 30 2HD ARG 30 -0.271 5.064 15.481 218 2HD ARG 30 1HD ARG 30 -1.725 4.147 15.876 219 HE ARG 30 HE ARG 30 -0.929 3.849 18.008 220 1HH1 ARG 30 1HH1 ARG 30 1.649 5.043 15.980 221 2HH1 ARG 30 2HH1 ARG 30 2.726 5.331 17.304 222 1HH2 ARG 30 1HH2 ARG 30 0.486 4.226 19.749 223 2HH2 ARG 30 2HH2 ARG 30 2.067 4.865 19.444 224 H SER 31 H SER 31 1.015 -0.196 14.260 225 HA SER 31 HA SER 31 -0.974 -2.118 13.864 226 1HB SER 31 2HB SER 31 0.121 -3.371 15.669 227 2HB SER 31 1HB SER 31 1.315 -2.679 14.572 228 HG SER 31 HG SER 31 1.863 -2.354 16.775 229 H THR 32 H THR 32 -2.349 -3.099 15.529 230 HA THR 32 HA THR 32 -4.146 -1.269 16.624 231 HB THR 32 HB THR 32 -3.663 -4.185 16.697 232 HG1 THR 32 HG1 THR 32 -5.155 -3.853 15.262 233 1HG2 THR 32 1HG2 THR 32 -4.105 -3.917 19.002 234 2HG2 THR 32 2HG2 THR 32 -5.557 -4.555 18.229 235 3HG2 THR 32 3HG2 THR 32 -5.471 -2.851 18.676 236 H ASP 33 H ASP 33 -1.353 -2.881 17.872 237 HA ASP 33 HA ASP 33 -1.794 -2.319 20.617 238 1HB ASP 33 2HB ASP 33 -0.278 -4.118 19.756 239 2HB ASP 33 1HB ASP 33 0.850 -2.860 19.262 240 H GLY 34 H GLY 34 -0.248 -0.626 18.009 241 1HA GLY 34 2HA GLY 34 0.185 1.654 17.862 242 2HA GLY 34 1HA GLY 34 -0.225 1.815 19.565 243 H ASP 35 H ASP 35 2.035 -0.593 18.538 244 HA ASP 35 HA ASP 35 4.204 0.995 19.724 245 1HB ASP 35 2HB ASP 35 3.573 -1.025 21.018 246 2HB ASP 35 1HB ASP 35 3.964 -2.017 19.618 247 H LYS 36 H LYS 36 3.121 -0.629 16.914 248 HA LYS 36 HA LYS 36 5.763 -0.225 15.678 249 1HB LYS 36 2HB LYS 36 4.123 -2.629 15.801 250 2HB LYS 36 1HB LYS 36 4.517 -2.180 14.147 251 1HG LYS 36 2HG LYS 36 6.875 -2.208 14.661 252 2HG LYS 36 1HG LYS 36 6.528 -2.539 16.359 253 1HD LYS 36 2HD LYS 36 7.122 -4.611 15.350 254 2HD LYS 36 1HD LYS 36 5.377 -4.643 15.609 255 1HE LYS 36 2HE LYS 36 5.782 -5.511 13.431 256 2HE LYS 36 1HE LYS 36 5.104 -3.897 13.232 257 1HZ LYS 36 1HZ LYS 36 7.047 -4.414 11.781 258 2HZ LYS 36 2HZ LYS 36 8.015 -4.458 13.168 259 3HZ LYS 36 3HZ LYS 36 7.233 -3.024 12.728 260 H VAL 37 H VAL 37 5.770 1.081 13.978 261 HA VAL 37 HA VAL 37 3.227 1.565 12.567 262 HB VAL 37 HB VAL 37 5.341 3.660 13.073 263 1HG1 VAL 37 1HG1 VAL 37 3.906 3.897 11.042 264 2HG1 VAL 37 2HG1 VAL 37 3.754 5.219 12.200 265 3HG1 VAL 37 3HG1 VAL 37 2.505 3.978 12.109 266 1HG2 VAL 37 1HG2 VAL 37 3.002 2.812 14.677 267 2HG2 VAL 37 2HG2 VAL 37 3.260 4.547 14.492 268 3HG2 VAL 37 3HG2 VAL 37 4.527 3.537 15.187 269 H HIS 38 H HIS 38 3.322 1.081 10.486 270 HA HIS 38 HA HIS 38 5.965 1.007 9.183 271 1HB HIS 38 2HB HIS 38 4.829 -1.153 9.225 272 2HB HIS 38 1HB HIS 38 3.435 -0.443 8.424 273 HD1 HIS 38 HD1 HIS 38 6.253 -2.429 7.671 274 HD2 HIS 38 HD2 HIS 38 4.379 0.761 5.779 275 HE1 HIS 38 HE1 HIS 38 6.980 -2.551 5.267 276 HE2 HIS 38 HE2 HIS 38 5.904 -0.560 4.161 277 H THR 39 H THR 39 6.305 1.984 7.273 278 HA THR 39 HA THR 39 4.159 3.757 6.290 279 HB THR 39 HB THR 39 7.129 4.306 6.129 280 HG1 THR 39 HG1 THR 39 6.657 4.454 8.259 281 1HG2 THR 39 1HG2 THR 39 6.468 6.600 5.699 282 2HG2 THR 39 2HG2 THR 39 4.768 6.133 5.757 283 3HG2 THR 39 3HG2 THR 39 5.810 5.513 4.475 284 H VAL 40 H VAL 40 3.663 3.669 4.180 285 HA VAL 40 HA VAL 40 5.357 1.984 2.450 286 HB VAL 40 HB VAL 40 2.384 2.390 2.140 287 1HG1 VAL 40 1HG1 VAL 40 4.475 0.918 0.667 288 2HG1 VAL 40 2HG1 VAL 40 2.972 1.642 0.092 289 3HG1 VAL 40 3HG1 VAL 40 2.944 0.075 0.902 290 1HG2 VAL 40 1HG2 VAL 40 1.965 0.372 3.243 291 2HG2 VAL 40 2HG2 VAL 40 3.133 1.195 4.277 292 3HG2 VAL 40 3HG2 VAL 40 3.663 -0.104 3.210 293 H VAL 41 H VAL 41 5.779 2.658 0.371 294 HA VAL 41 HA VAL 41 5.356 5.500 -0.125 295 HB VAL 41 HB VAL 41 6.923 3.558 -1.826 296 1HG1 VAL 41 1HG1 VAL 41 6.409 6.441 -1.877 297 2HG1 VAL 41 2HG1 VAL 41 6.919 5.354 -3.169 298 3HG1 VAL 41 3HG1 VAL 41 8.109 6.001 -2.039 299 1HG2 VAL 41 1HG2 VAL 41 8.923 4.467 -0.626 300 2HG2 VAL 41 2HG2 VAL 41 7.882 3.439 0.359 301 3HG2 VAL 41 3HG2 VAL 41 7.819 5.192 0.542 302 H LEU 42 H LEU 42 3.804 6.234 -1.406 303 HA LEU 42 HA LEU 42 2.204 4.359 -2.936 304 1HB LEU 42 2HB LEU 42 1.787 7.330 -2.695 305 2HB LEU 42 1HB LEU 42 0.606 6.110 -3.135 306 HG LEU 42 HG LEU 42 1.829 6.539 -0.410 307 1HD1 LEU 42 1HD1 LEU 42 -1.087 6.544 -0.876 308 2HD1 LEU 42 2HD1 LEU 42 -0.184 7.920 -1.506 309 3HD1 LEU 42 3HD1 LEU 42 -0.106 7.526 0.211 310 1HD2 LEU 42 1HD2 LEU 42 0.487 4.212 -1.593 311 2HD2 LEU 42 2HD2 LEU 42 -0.181 4.746 -0.051 312 3HD2 LEU 42 3HD2 LEU 42 1.528 4.326 -0.172 313 H SER 43 H SER 43 4.850 6.371 -3.542 314 HA SER 43 HA SER 43 4.163 7.070 -6.247 315 1HB SER 43 2HB SER 43 5.728 8.370 -4.681 316 2HB SER 43 1HB SER 43 6.934 7.141 -5.061 317 HG SER 43 HG SER 43 6.867 9.120 -6.416 318 H THR 44 H THR 44 5.866 4.503 -4.616 319 HA THR 44 HA THR 44 7.071 3.470 -7.006 320 HB THR 44 HB THR 44 8.127 3.158 -4.805 321 HG1 THR 44 HG1 THR 44 7.318 0.776 -6.107 322 1HG2 THR 44 1HG2 THR 44 7.295 1.595 -3.197 323 2HG2 THR 44 2HG2 THR 44 5.892 1.241 -4.204 324 3HG2 THR 44 3HG2 THR 44 6.073 2.836 -3.474 325 H ILE 45 H ILE 45 4.073 3.098 -5.364 326 HA ILE 45 HA ILE 45 3.293 0.550 -6.228 327 HB ILE 45 HB ILE 45 1.458 2.916 -5.850 328 1HG1 ILE 45 2HG1 ILE 45 2.852 2.739 -3.882 329 2HG1 ILE 45 1HG1 ILE 45 1.258 2.103 -3.498 330 1HG2 ILE 45 1HG2 ILE 45 -0.201 1.231 -5.268 331 2HG2 ILE 45 2HG2 ILE 45 0.982 -0.045 -5.549 332 3HG2 ILE 45 3HG2 ILE 45 0.432 0.958 -6.891 333 1HD1 ILE 45 1HD1 ILE 45 2.616 0.535 -2.538 334 2HD1 ILE 45 2HD1 ILE 45 3.848 0.675 -3.792 335 3HD1 ILE 45 3HD1 ILE 45 2.345 -0.184 -4.125 336 H ASP 46 H ASP 46 3.816 0.159 -8.347 337 HA ASP 46 HA ASP 46 3.322 1.850 -10.516 338 1HB ASP 46 2HB ASP 46 4.803 -0.172 -10.536 339 2HB ASP 46 1HB ASP 46 3.354 -1.174 -10.574 340 H LYS 47 H LYS 47 1.243 -0.390 -8.811 341 HA LYS 47 HA LYS 47 -1.078 0.734 -10.088 342 1HB LYS 47 2HB LYS 47 -0.295 -2.132 -10.616 343 2HB LYS 47 1HB LYS 47 -1.934 -1.535 -10.828 344 1HG LYS 47 2HG LYS 47 -0.986 0.167 -12.422 345 2HG LYS 47 1HG LYS 47 0.535 -0.723 -12.334 346 1HD LYS 47 2HD LYS 47 -2.113 -1.906 -13.165 347 2HD LYS 47 1HD LYS 47 -0.855 -1.365 -14.279 348 1HE LYS 47 2HE LYS 47 0.640 -2.978 -12.822 349 2HE LYS 47 1HE LYS 47 -0.915 -3.732 -12.473 350 1HZ LYS 47 1HZ LYS 47 -1.157 -4.436 -14.603 351 2HZ LYS 47 2HZ LYS 47 0.532 -4.439 -14.534 352 3HZ LYS 47 3HZ LYS 47 -0.281 -3.150 -15.267 353 H LEU 48 H LEU 48 -3.111 -0.287 -9.239 354 HA LEU 48 HA LEU 48 -2.688 -1.238 -6.482 355 1HB LEU 48 2HB LEU 48 -4.519 0.800 -7.629 356 2HB LEU 48 1HB LEU 48 -5.153 -0.198 -6.335 357 HG LEU 48 HG LEU 48 -3.248 0.513 -4.905 358 1HD1 LEU 48 1HD1 LEU 48 -1.893 2.412 -5.586 359 2HD1 LEU 48 2HD1 LEU 48 -2.678 2.422 -7.165 360 3HD1 LEU 48 3HD1 LEU 48 -1.671 1.056 -6.691 361 1HD2 LEU 48 1HD2 LEU 48 -5.431 2.184 -5.874 362 2HD2 LEU 48 2HD2 LEU 48 -4.104 3.108 -5.169 363 3HD2 LEU 48 3HD2 LEU 48 -4.904 1.850 -4.225 364 H GLN 49 H GLN 49 -3.729 -3.047 -5.843 365 HA GLN 49 HA GLN 49 -5.740 -4.193 -7.661 366 1HB GLN 49 2HB GLN 49 -3.509 -5.312 -7.878 367 2HB GLN 49 1HB GLN 49 -3.633 -5.781 -6.188 368 1HG GLN 49 2HG GLN 49 -5.732 -6.993 -6.747 369 2HG GLN 49 1HG GLN 49 -5.428 -6.632 -8.445 370 1HE2 GLN 49 1HE2 GLN 49 -4.230 -8.008 -9.567 371 2HE2 GLN 49 2HE2 GLN 49 -3.261 -9.275 -8.901 372 H ALA 50 H ALA 50 -7.446 -5.280 -6.717 373 HA ALA 50 HA ALA 50 -7.497 -5.502 -3.800 374 1HB ALA 50 1HB ALA 50 -9.533 -4.323 -3.544 375 2HB ALA 50 2HB ALA 50 -9.772 -4.214 -5.287 376 3HB ALA 50 3HB ALA 50 -8.482 -3.292 -4.515 377 H THR 51 H THR 51 -9.173 -6.902 -2.996 378 HA THR 51 HA THR 51 -9.577 -9.179 -4.669 379 HB THR 51 HB THR 51 -11.024 -9.902 -2.635 380 HG1 THR 51 HG1 THR 51 -11.354 -8.300 -1.328 381 1HG2 THR 51 1HG2 THR 51 -8.987 -10.238 -1.199 382 2HG2 THR 51 2HG2 THR 51 -8.079 -9.369 -2.437 383 3HG2 THR 51 3HG2 THR 51 -8.893 -10.882 -2.838 384 HA PRO 52 HA PRO 52 -13.514 -8.283 -6.437 385 1HB PRO 52 2HB PRO 52 -14.659 -10.750 -6.500 386 2HB PRO 52 1HB PRO 52 -13.359 -10.260 -7.594 387 1HG PRO 52 2HG PRO 52 -13.209 -11.875 -5.078 388 2HG PRO 52 1HG PRO 52 -12.390 -12.140 -6.629 389 1HD PRO 52 2HD PRO 52 -11.143 -11.018 -4.512 390 2HD PRO 52 1HD PRO 52 -10.766 -10.562 -6.186 391 H ALA 53 H ALA 53 -15.761 -8.120 -6.000 392 HA ALA 53 HA ALA 53 -16.393 -7.798 -3.250 393 1HB ALA 53 1HB ALA 53 -18.266 -6.728 -3.957 394 2HB ALA 53 2HB ALA 53 -18.579 -7.889 -5.247 395 3HB ALA 53 3HB ALA 53 -17.337 -6.655 -5.456 396 H SER 54 H SER 54 -16.425 -10.529 -5.242 397 HA SER 54 HA SER 54 -18.613 -11.844 -3.853 398 1HB SER 54 2HB SER 54 -16.754 -12.768 -6.051 399 2HB SER 54 1HB SER 54 -18.021 -13.774 -5.350 400 HG SER 54 HG SER 54 -19.052 -12.863 -6.997 401 H SER 55 H SER 55 -15.497 -11.210 -3.079 402 HA SER 55 HA SER 55 -15.065 -13.795 -1.753 403 1HB SER 55 2HB SER 55 -13.141 -11.575 -2.469 404 2HB SER 55 1HB SER 55 -12.706 -12.954 -1.462 405 HG SER 55 HG SER 55 -12.274 -13.854 -3.314 406 H GLU 56 H GLU 56 -15.729 -13.849 0.273 407 HA GLU 56 HA GLU 56 -16.421 -11.638 1.826 408 1HB GLU 56 2HB GLU 56 -15.628 -14.416 2.715 409 2HB GLU 56 1HB GLU 56 -16.416 -13.222 3.738 410 1HG GLU 56 2HG GLU 56 -18.345 -13.221 2.214 411 2HG GLU 56 1HG GLU 56 -17.560 -14.471 1.249 412 H LYS 57 H LYS 57 -13.353 -12.962 1.115 413 HA LYS 57 HA LYS 57 -12.066 -11.804 3.455 414 1HB LYS 57 2HB LYS 57 -9.972 -12.693 2.376 415 2HB LYS 57 1HB LYS 57 -11.177 -13.908 2.781 416 1HG LYS 57 2HG LYS 57 -11.457 -12.852 0.077 417 2HG LYS 57 1HG LYS 57 -9.912 -13.653 0.372 418 1HD LYS 57 2HD LYS 57 -11.168 -15.608 1.267 419 2HD LYS 57 1HD LYS 57 -12.666 -14.810 0.791 420 1HE LYS 57 2HE LYS 57 -11.986 -14.832 -1.529 421 2HE LYS 57 1HE LYS 57 -10.419 -15.513 -1.091 422 1HZ LYS 57 1HZ LYS 57 -12.471 -16.986 -1.886 423 2HZ LYS 57 2HZ LYS 57 -12.758 -17.003 -0.219 424 3HZ LYS 57 3HZ LYS 57 -11.282 -17.562 -0.828 425 H MET 58 H MET 58 -12.072 -9.622 3.342 426 HA MET 58 HA MET 58 -11.577 -8.212 0.886 427 1HB MET 58 2HB MET 58 -11.763 -7.217 3.735 428 2HB MET 58 1HB MET 58 -11.684 -6.190 2.312 429 1HG MET 58 2HG MET 58 -13.831 -6.600 1.717 430 2HG MET 58 1HG MET 58 -13.821 -8.231 2.387 431 1HE MET 58 1HE MET 58 -12.866 -7.414 5.684 432 2HE MET 58 2HE MET 58 -13.629 -8.731 4.793 433 3HE MET 58 3HE MET 58 -14.532 -7.872 6.040 434 H MET 59 H MET 59 -9.643 -7.813 0.054 435 HA MET 59 HA MET 59 -7.405 -7.158 1.783 436 1HB MET 59 2HB MET 59 -7.235 -9.449 -0.183 437 2HB MET 59 1HB MET 59 -5.910 -8.819 0.787 438 1HG MET 59 2HG MET 59 -7.202 -9.457 2.823 439 2HG MET 59 1HG MET 59 -8.371 -10.242 1.765 440 1HE MET 59 1HE MET 59 -4.010 -11.573 2.429 441 2HE MET 59 2HE MET 59 -4.877 -10.438 3.465 442 3HE MET 59 3HE MET 59 -4.445 -9.976 1.819 443 H LEU 60 H LEU 60 -6.023 -5.732 0.858 444 HA LEU 60 HA LEU 60 -6.471 -5.101 -1.987 445 1HB LEU 60 2HB LEU 60 -7.188 -3.344 -0.377 446 2HB LEU 60 1HB LEU 60 -5.536 -3.238 0.197 447 HG LEU 60 HG LEU 60 -4.925 -2.672 -2.239 448 1HD1 LEU 60 1HD1 LEU 60 -7.489 -3.296 -2.768 449 2HD1 LEU 60 2HD1 LEU 60 -6.522 -2.197 -3.753 450 3HD1 LEU 60 3HD1 LEU 60 -7.632 -1.553 -2.543 451 1HD2 LEU 60 1HD2 LEU 60 -6.476 -0.821 -0.442 452 2HD2 LEU 60 2HD2 LEU 60 -5.605 -0.280 -1.878 453 3HD2 LEU 60 3HD2 LEU 60 -4.727 -1.023 -0.540 454 H ARG 61 H ARG 61 -4.830 -5.660 -3.245 455 HA ARG 61 HA ARG 61 -2.140 -5.839 -2.078 456 1HB ARG 61 2HB ARG 61 -3.117 -7.871 -3.161 457 2HB ARG 61 1HB ARG 61 -3.129 -6.998 -4.688 458 1HG ARG 61 2HG ARG 61 -0.667 -6.735 -4.491 459 2HG ARG 61 1HG ARG 61 -0.718 -7.758 -3.054 460 1HD ARG 61 2HD ARG 61 -1.789 -9.531 -4.457 461 2HD ARG 61 1HD ARG 61 -1.496 -8.513 -5.867 462 HE ARG 61 HE ARG 61 0.951 -8.735 -4.716 463 1HH1 ARG 61 1HH1 ARG 61 -1.444 -11.049 -5.757 464 2HH1 ARG 61 2HH1 ARG 61 -0.279 -12.274 -6.136 465 1HH2 ARG 61 1HH2 ARG 61 2.487 -10.343 -5.213 466 2HH2 ARG 61 2HH2 ARG 61 1.953 -11.873 -5.826 467 H LEU 62 H LEU 62 -0.543 -4.540 -2.717 468 HA LEU 62 HA LEU 62 -1.053 -2.762 -5.014 469 1HB LEU 62 2HB LEU 62 -0.220 -2.214 -2.286 470 2HB LEU 62 1HB LEU 62 0.911 -1.556 -3.453 471 HG LEU 62 HG LEU 62 -1.036 -0.434 -4.581 472 1HD1 LEU 62 1HD1 LEU 62 -2.432 -1.691 -2.270 473 2HD1 LEU 62 2HD1 LEU 62 -2.962 -1.497 -3.940 474 3HD1 LEU 62 3HD1 LEU 62 -2.975 -0.115 -2.847 475 1HD2 LEU 62 1HD2 LEU 62 -1.057 0.610 -1.825 476 2HD2 LEU 62 2HD2 LEU 62 -0.684 1.421 -3.345 477 3HD2 LEU 62 3HD2 LEU 62 0.533 0.413 -2.560 478 H ILE 63 H ILE 63 0.344 -2.802 -6.635 479 HA ILE 63 HA ILE 63 2.795 -4.388 -6.300 480 HB ILE 63 HB ILE 63 1.504 -3.584 -8.902 481 1HG1 ILE 63 2HG1 ILE 63 0.935 -6.180 -8.777 482 2HG1 ILE 63 1HG1 ILE 63 0.966 -5.856 -7.045 483 1HG2 ILE 63 1HG2 ILE 63 2.909 -5.925 -9.265 484 2HG2 ILE 63 2HG2 ILE 63 3.929 -5.008 -8.156 485 3HG2 ILE 63 3HG2 ILE 63 3.457 -4.307 -9.704 486 1HD1 ILE 63 1HD1 ILE 63 -1.276 -5.706 -8.194 487 2HD1 ILE 63 2HD1 ILE 63 -0.678 -4.229 -8.951 488 3HD1 ILE 63 3HD1 ILE 63 -0.808 -4.330 -7.195 489 H GLY 64 H GLY 64 4.737 -3.475 -6.456 490 1HA GLY 64 2HA GLY 64 4.903 -0.612 -6.882 491 2HA GLY 64 1HA GLY 64 6.210 -1.670 -6.371 492 H LYS 65 H LYS 65 6.846 0.201 -8.165 493 HA LYS 65 HA LYS 65 6.733 -1.053 -10.811 494 1HB LYS 65 2HB LYS 65 7.526 1.079 -11.677 495 2HB LYS 65 1HB LYS 65 6.117 1.325 -10.655 496 1HG LYS 65 2HG LYS 65 7.648 1.947 -8.799 497 2HG LYS 65 1HG LYS 65 8.992 1.848 -9.940 498 1HD LYS 65 2HD LYS 65 6.599 3.672 -10.183 499 2HD LYS 65 1HD LYS 65 8.214 4.154 -9.660 500 1HE LYS 65 2HE LYS 65 8.950 3.114 -11.937 501 2HE LYS 65 1HE LYS 65 7.260 3.344 -12.373 502 1HZ LYS 65 1HZ LYS 65 7.524 5.707 -11.731 503 2HZ LYS 65 2HZ LYS 65 8.485 5.256 -13.049 504 3HZ LYS 65 3HZ LYS 65 9.182 5.437 -11.518 505 H VAL 66 H VAL 66 8.922 -0.406 -12.079 506 HA VAL 66 HA VAL 66 11.029 -1.778 -10.582 507 HB VAL 66 HB VAL 66 10.388 -2.700 -12.778 508 1HG1 VAL 66 1HG1 VAL 66 9.785 -0.597 -13.878 509 2HG1 VAL 66 2HG1 VAL 66 10.951 -1.517 -14.829 510 3HG1 VAL 66 3HG1 VAL 66 11.481 -0.120 -13.893 511 1HG2 VAL 66 1HG2 VAL 66 12.698 -2.811 -13.726 512 2HG2 VAL 66 2HG2 VAL 66 12.601 -3.166 -12.002 513 3HG2 VAL 66 3HG2 VAL 66 13.180 -1.593 -12.546 514 H ASP 67 H ASP 67 12.852 -0.798 -9.954 515 HA ASP 67 HA ASP 67 13.565 1.786 -11.147 516 1HB ASP 67 2HB ASP 67 13.365 1.200 -8.187 517 2HB ASP 67 1HB ASP 67 14.140 2.631 -8.859 518 H GLU 68 H GLU 68 15.677 1.989 -11.592 519 HA GLU 68 HA GLU 68 17.482 -0.096 -10.575 520 1HB GLU 68 2HB GLU 68 18.808 0.205 -12.571 521 2HB GLU 68 1HB GLU 68 17.132 -0.056 -13.033 522 1HG GLU 68 2HG GLU 68 16.873 2.389 -13.307 523 2HG GLU 68 1HG GLU 68 18.594 2.573 -12.968 524 H SER 69 H SER 69 16.869 2.213 -9.058 525 HA SER 69 HA SER 69 19.134 4.006 -9.323 526 1HB SER 69 2HB SER 69 16.866 3.947 -7.321 527 2HB SER 69 1HB SER 69 18.109 5.197 -7.397 528 HG SER 69 HG SER 69 16.476 4.546 -9.613 529 H LYS 70 H LYS 70 18.240 1.217 -7.526 530 HA LYS 70 HA LYS 70 19.814 1.522 -5.233 531 1HB LYS 70 2HB LYS 70 19.137 -1.035 -6.697 532 2HB LYS 70 1HB LYS 70 19.695 -0.918 -5.033 533 1HG LYS 70 2HG LYS 70 17.123 0.242 -6.088 534 2HG LYS 70 1HG LYS 70 17.275 -1.271 -5.193 535 1HD LYS 70 2HD LYS 70 18.269 0.027 -3.309 536 2HD LYS 70 1HD LYS 70 17.908 1.507 -4.201 537 1HE LYS 70 2HE LYS 70 16.048 1.364 -2.872 538 2HE LYS 70 1HE LYS 70 15.492 0.475 -4.290 539 1HZ LYS 70 1HZ LYS 70 15.519 -1.484 -3.188 540 2HZ LYS 70 2HZ LYS 70 15.285 -0.480 -1.845 541 3HZ LYS 70 3HZ LYS 70 16.831 -1.064 -2.207 542 H LYS 71 H LYS 71 20.621 0.459 -8.478 543 HA LYS 71 HA LYS 71 22.603 0.048 -9.514 544 1HB LYS 71 2HB LYS 71 22.992 2.338 -8.247 545 2HB LYS 71 1HB LYS 71 24.122 1.369 -7.310 546 1HG LYS 71 2HG LYS 71 25.273 2.485 -9.113 547 2HG LYS 71 1HG LYS 71 25.282 0.740 -9.378 548 1HD LYS 71 2HD LYS 71 23.775 0.867 -11.128 549 2HD LYS 71 1HD LYS 71 23.122 2.415 -10.589 550 1HE LYS 71 2HE LYS 71 25.840 1.950 -11.809 551 2HE LYS 71 1HE LYS 71 24.455 2.691 -12.607 552 1HZ LYS 71 1HZ LYS 71 25.451 4.569 -11.914 553 2HZ LYS 71 2HZ LYS 71 26.285 3.813 -10.652 554 3HZ LYS 71 3HZ LYS 71 24.660 4.236 -10.456 555 H ARG 72 H ARG 72 22.962 -2.093 -9.445 556 HA ARG 72 HA ARG 72 23.464 -3.619 -7.152 557 1HB ARG 72 2HB ARG 72 24.338 -5.333 -8.770 558 2HB ARG 72 1HB ARG 72 22.730 -4.724 -9.137 559 1HG ARG 72 2HG ARG 72 23.591 -3.325 -10.881 560 2HG ARG 72 1HG ARG 72 25.252 -3.725 -10.440 561 1HD ARG 72 2HD ARG 72 23.464 -5.994 -11.062 562 2HD ARG 72 1HD ARG 72 23.914 -4.954 -12.413 563 HE ARG 72 HE ARG 72 25.565 -6.859 -11.122 564 1HH1 ARG 72 1HH1 ARG 72 25.652 -3.704 -12.609 565 2HH1 ARG 72 2HH1 ARG 72 27.319 -3.825 -13.062 566 1HH2 ARG 72 1HH2 ARG 72 27.758 -7.020 -11.716 567 2HH2 ARG 72 2HH2 ARG 72 28.515 -5.708 -12.556 568 H LYS 73 H LYS 73 25.241 -4.034 -5.988 569 HA LYS 73 HA LYS 73 27.733 -2.728 -6.804 570 1HB LYS 73 2HB LYS 73 26.414 -2.700 -4.406 571 2HB LYS 73 1HB LYS 73 27.617 -3.951 -4.133 572 1HG LYS 73 2HG LYS 73 29.342 -2.299 -4.944 573 2HG LYS 73 1HG LYS 73 28.074 -1.075 -4.862 574 1HD LYS 73 2HD LYS 73 28.909 -2.813 -2.544 575 2HD LYS 73 1HD LYS 73 29.522 -1.183 -2.834 576 1HE LYS 73 2HE LYS 73 27.436 -0.203 -2.441 577 2HE LYS 73 1HE LYS 73 26.579 -1.731 -2.649 578 1HZ LYS 73 1HZ LYS 73 26.996 -0.759 -0.285 579 2HZ LYS 73 2HZ LYS 73 28.517 -1.478 -0.460 580 3HZ LYS 73 3HZ LYS 73 27.119 -2.426 -0.553 581 H ASP 74 H ASP 74 29.766 -3.919 -6.028 582 HA ASP 74 HA ASP 74 29.756 -6.516 -7.275 583 1HB ASP 74 2HB ASP 74 31.973 -4.886 -6.027 584 2HB ASP 74 1HB ASP 74 32.219 -6.437 -6.824 585 H ASN 75 H ASN 75 29.569 -5.286 -4.083 586 HA ASN 75 HA ASN 75 30.589 -7.645 -2.788 587 1HB ASN 75 2HB ASN 75 29.039 -5.311 -1.648 588 2HB ASN 75 1HB ASN 75 29.863 -6.552 -0.710 589 1HD2 ASN 75 1HD2 ASN 75 32.223 -6.835 -1.973 590 2HD2 ASN 75 2HD2 ASN 75 33.122 -5.362 -1.917 591 H GLU 76 H GLU 76 27.810 -7.115 -4.458 592 HA GLU 76 HA GLU 76 26.114 -8.668 -2.650 593 1HB GLU 76 2HB GLU 76 25.460 -7.204 -5.212 594 2HB GLU 76 1HB GLU 76 24.293 -8.100 -4.247 595 1HG GLU 76 2HG GLU 76 24.731 -6.587 -2.357 596 2HG GLU 76 1HG GLU 76 25.838 -5.668 -3.376 597 H GLY 77 H GLY 77 28.341 -9.878 -3.990 598 1HA GLY 77 2HA GLY 77 28.871 -11.771 -5.176 599 2HA GLY 77 1HA GLY 77 27.238 -12.291 -4.800 600 H ASN 78 H ASN 78 27.441 -9.383 -6.597 601 HA ASN 78 HA ASN 78 26.628 -8.868 -8.665 602 1HB ASN 78 2HB ASN 78 28.895 -10.702 -8.961 603 2HB ASN 78 1HB ASN 78 27.861 -10.629 -10.384 604 1HD2 ASN 78 1HD2 ASN 78 28.426 -8.014 -8.103 605 2HD2 ASN 78 2HD2 ASN 78 29.246 -6.976 -9.215 606 H GLU 79 H GLU 79 26.032 -10.201 -10.935 607 HA GLU 79 HA GLU 79 24.368 -11.371 -11.953 608 1HB GLU 79 2HB GLU 79 24.851 -13.278 -9.656 609 2HB GLU 79 1HB GLU 79 23.908 -13.651 -11.093 610 1HG GLU 79 2HG GLU 79 25.913 -13.291 -12.472 611 2HG GLU 79 1HG GLU 79 26.845 -12.998 -11.005 612 H VAL 80 H VAL 80 23.397 -9.295 -10.582 613 HA VAL 80 HA VAL 80 20.933 -10.361 -9.369 614 HB VAL 80 HB VAL 80 20.831 -8.346 -7.940 615 1HG1 VAL 80 1HG1 VAL 80 23.468 -9.488 -7.256 616 2HG1 VAL 80 2HG1 VAL 80 22.143 -10.633 -7.462 617 3HG1 VAL 80 3HG1 VAL 80 22.009 -9.332 -6.279 618 1HG2 VAL 80 1HG2 VAL 80 22.851 -6.972 -7.656 619 2HG2 VAL 80 2HG2 VAL 80 22.184 -6.841 -9.283 620 3HG2 VAL 80 3HG2 VAL 80 23.612 -7.835 -8.992 621 H VAL 81 H VAL 81 19.024 -9.121 -9.705 622 HA VAL 81 HA VAL 81 19.171 -7.000 -11.717 623 HB VAL 81 HB VAL 81 17.301 -8.009 -12.996 624 1HG1 VAL 81 1HG1 VAL 81 18.708 -9.906 -13.986 625 2HG1 VAL 81 2HG1 VAL 81 19.923 -9.454 -12.787 626 3HG1 VAL 81 3HG1 VAL 81 19.397 -8.281 -13.996 627 1HG2 VAL 81 1HG2 VAL 81 16.321 -9.978 -12.483 628 2HG2 VAL 81 2HG2 VAL 81 16.902 -9.600 -10.860 629 3HG2 VAL 81 3HG2 VAL 81 17.821 -10.694 -11.893 630 HA PRO 82 HA PRO 82 16.058 -5.129 -9.210 631 1HB PRO 82 2HB PRO 82 14.778 -3.588 -11.044 632 2HB PRO 82 1HB PRO 82 16.386 -3.203 -10.421 633 1HG PRO 82 2HG PRO 82 15.618 -4.535 -12.991 634 2HG PRO 82 1HG PRO 82 16.840 -3.283 -12.701 635 1HD PRO 82 2HD PRO 82 17.479 -5.895 -12.978 636 2HD PRO 82 1HD PRO 82 18.393 -4.800 -11.922 637 H LYS 83 H LYS 83 13.933 -5.379 -8.603 638 HA LYS 83 HA LYS 83 12.050 -6.623 -10.439 639 1HB LYS 83 2HB LYS 83 13.190 -8.524 -9.389 640 2HB LYS 83 1HB LYS 83 12.801 -7.888 -7.798 641 1HG LYS 83 2HG LYS 83 11.144 -9.428 -8.022 642 2HG LYS 83 1HG LYS 83 10.338 -8.021 -8.719 643 1HD LYS 83 2HD LYS 83 9.921 -9.437 -10.428 644 2HD LYS 83 1HD LYS 83 11.565 -9.012 -10.910 645 1HE LYS 83 2HE LYS 83 11.362 -11.206 -8.964 646 2HE LYS 83 1HE LYS 83 10.671 -11.549 -10.550 647 1HZ LYS 83 1HZ LYS 83 12.982 -12.186 -10.484 648 2HZ LYS 83 2HZ LYS 83 13.443 -10.630 -10.011 649 3HZ LYS 83 3HZ LYS 83 12.789 -10.885 -11.548 650 HA PRO 84 HA PRO 84 9.349 -3.828 -8.298 651 1HB PRO 84 2HB PRO 84 6.961 -4.910 -9.034 652 2HB PRO 84 1HB PRO 84 7.954 -3.925 -10.114 653 1HG PRO 84 2HG PRO 84 7.715 -6.904 -9.949 654 2HG PRO 84 1HG PRO 84 7.779 -5.864 -11.384 655 1HD PRO 84 2HD PRO 84 9.931 -7.233 -10.502 656 2HD PRO 84 1HD PRO 84 10.075 -5.642 -11.277 657 H GLN 85 H GLN 85 8.455 -3.718 -6.312 658 HA GLN 85 HA GLN 85 8.148 -6.227 -4.835 659 1HB GLN 85 2HB GLN 85 8.267 -4.860 -2.822 660 2HB GLN 85 1HB GLN 85 9.630 -4.513 -3.876 661 1HG GLN 85 2HG GLN 85 8.484 -2.498 -4.674 662 2HG GLN 85 1HG GLN 85 7.147 -2.840 -3.578 663 1HE2 GLN 85 1HE2 GLN 85 10.375 -1.668 -3.880 664 2HE2 GLN 85 2HE2 GLN 85 10.556 -1.112 -2.255 665 H ARG 86 H ARG 86 6.247 -6.887 -3.965 666 HA ARG 86 HA ARG 86 3.895 -5.184 -4.475 667 1HB ARG 86 2HB ARG 86 4.123 -8.198 -4.500 668 2HB ARG 86 1HB ARG 86 2.605 -7.318 -4.615 669 1HG ARG 86 2HG ARG 86 3.420 -6.244 -6.682 670 2HG ARG 86 1HG ARG 86 4.885 -7.223 -6.578 671 1HD ARG 86 2HD ARG 86 3.428 -9.255 -6.612 672 2HD ARG 86 1HD ARG 86 2.056 -8.196 -6.935 673 HE ARG 86 HE ARG 86 4.229 -7.860 -8.784 674 1HH1 ARG 86 1HH1 ARG 86 1.355 -9.703 -8.058 675 2HH1 ARG 86 2HH1 ARG 86 1.087 -10.169 -9.704 676 1HH2 ARG 86 1HH2 ARG 86 3.879 -8.471 -10.949 677 2HH2 ARG 86 2HH2 ARG 86 2.520 -9.471 -11.346 678 H HIS 87 H HIS 87 2.480 -4.817 -2.850 679 HA HIS 87 HA HIS 87 3.086 -6.057 -0.246 680 1HB HIS 87 2HB HIS 87 2.299 -3.262 -0.989 681 2HB HIS 87 1HB HIS 87 1.881 -3.889 0.602 682 HD1 HIS 87 HD1 HIS 87 3.596 -3.514 2.339 683 HD2 HIS 87 HD2 HIS 87 5.241 -3.530 -1.477 684 HE1 HIS 87 HE1 HIS 87 6.030 -2.961 2.655 685 HE2 HIS 87 HE2 HIS 87 6.984 -2.890 0.324 686 H MET 88 H MET 88 1.559 -7.356 0.513 687 HA MET 88 HA MET 88 -1.161 -7.108 -0.561 688 1HB MET 88 2HB MET 88 0.007 -9.287 -0.833 689 2HB MET 88 1HB MET 88 0.087 -9.431 0.916 690 1HG MET 88 2HG MET 88 -2.377 -9.383 0.999 691 2HG MET 88 1HG MET 88 -2.408 -9.345 -0.762 692 1HE MET 88 1HE MET 88 -3.680 -12.370 -1.045 693 2HE MET 88 2HE MET 88 -4.099 -11.007 -0.005 694 3HE MET 88 3HE MET 88 -3.776 -12.592 0.702 695 H PHE 89 H PHE 89 -2.702 -6.283 0.676 696 HA PHE 89 HA PHE 89 -2.296 -6.260 3.594 697 1HB PHE 89 2HB PHE 89 -3.681 -4.283 1.784 698 2HB PHE 89 1HB PHE 89 -3.864 -4.264 3.535 699 HD1 PHE 89 HD1 PHE 89 -1.769 -3.390 0.740 700 HD2 PHE 89 HD2 PHE 89 -1.876 -3.857 4.967 701 HE1 PHE 89 HE1 PHE 89 0.281 -2.045 0.934 702 HE2 PHE 89 HE2 PHE 89 0.176 -2.508 5.171 703 HZ PHE 89 HZ PHE 89 1.256 -1.602 3.152 704 H SER 90 H SER 90 -4.201 -6.398 4.928 705 HA SER 90 HA SER 90 -6.435 -7.815 3.629 706 1HB SER 90 2HB SER 90 -6.048 -8.540 6.427 707 2HB SER 90 1HB SER 90 -6.230 -9.578 5.014 708 HG SER 90 HG SER 90 -4.045 -9.147 6.382 709 H PHE 91 H PHE 91 -8.305 -6.778 3.861 710 HA PHE 91 HA PHE 91 -8.540 -4.762 5.962 711 1HB PHE 91 2HB PHE 91 -9.850 -5.186 3.309 712 2HB PHE 91 1HB PHE 91 -10.684 -4.240 4.538 713 HD1 PHE 91 HD1 PHE 91 -7.679 -4.438 2.438 714 HD2 PHE 91 HD2 PHE 91 -9.980 -2.061 5.109 715 HE1 PHE 91 HE1 PHE 91 -6.343 -2.470 1.819 716 HE2 PHE 91 HE2 PHE 91 -8.649 -0.077 4.495 717 HZ PHE 91 HZ PHE 91 -6.827 -0.282 2.846 718 H ASN 92 H ASN 92 -10.115 -4.750 7.466 719 HA ASN 92 HA ASN 92 -11.681 -7.217 7.729 720 1HB ASN 92 2HB ASN 92 -10.930 -5.112 9.770 721 2HB ASN 92 1HB ASN 92 -11.969 -6.493 10.106 722 1HD2 ASN 92 1HD2 ASN 92 -9.627 -6.004 11.498 723 2HD2 ASN 92 2HD2 ASN 92 -8.490 -7.253 11.137 724 H ASN 93 H ASN 93 -12.162 -4.511 6.201 725 HA ASN 93 HA ASN 93 -14.986 -4.473 6.751 726 1HB ASN 93 2HB ASN 93 -13.176 -2.251 7.511 727 2HB ASN 93 1HB ASN 93 -14.710 -1.812 6.765 728 1HD2 ASN 93 1HD2 ASN 93 -16.477 -3.535 7.728 729 2HD2 ASN 93 2HD2 ASN 93 -16.582 -3.441 9.450 730 H ARG 94 H ARG 94 -16.133 -4.173 4.948 731 HA ARG 94 HA ARG 94 -14.834 -3.982 2.448 732 1HB ARG 94 2HB ARG 94 -17.747 -3.709 3.195 733 2HB ARG 94 1HB ARG 94 -17.164 -3.763 1.538 734 1HG ARG 94 2HG ARG 94 -16.146 -5.995 2.078 735 2HG ARG 94 1HG ARG 94 -17.022 -5.935 3.610 736 1HD ARG 94 2HD ARG 94 -19.129 -5.631 2.290 737 2HD ARG 94 1HD ARG 94 -18.187 -5.930 0.830 738 HE ARG 94 HE ARG 94 -17.913 -7.997 2.802 739 1HH1 ARG 94 1HH1 ARG 94 -19.867 -6.825 0.157 740 2HH1 ARG 94 2HH1 ARG 94 -20.523 -8.385 -0.212 741 1HH2 ARG 94 1HH2 ARG 94 -18.776 -10.048 2.317 742 2HH2 ARG 94 2HH2 ARG 94 -19.904 -10.213 1.013 743 H THR 95 H THR 95 -16.829 -1.660 4.266 744 HA THR 95 HA THR 95 -16.665 0.414 2.408 745 HB THR 95 HB THR 95 -16.865 1.065 5.278 746 HG1 THR 95 HG1 THR 95 -18.775 -0.581 3.991 747 1HG2 THR 95 1HG2 THR 95 -18.802 2.293 4.615 748 2HG2 THR 95 2HG2 THR 95 -18.772 1.541 3.021 749 3HG2 THR 95 3HG2 THR 95 -17.489 2.654 3.494 750 H VAL 96 H VAL 96 -14.617 -0.596 5.034 751 HA VAL 96 HA VAL 96 -12.984 1.717 5.077 752 HB VAL 96 HB VAL 96 -12.420 -1.066 6.097 753 1HG1 VAL 96 1HG1 VAL 96 -10.869 1.493 6.361 754 2HG1 VAL 96 2HG1 VAL 96 -10.300 -0.092 5.836 755 3HG1 VAL 96 3HG1 VAL 96 -10.715 0.179 7.529 756 1HG2 VAL 96 1HG2 VAL 96 -14.329 0.418 7.058 757 2HG2 VAL 96 2HG2 VAL 96 -13.007 1.317 7.802 758 3HG2 VAL 96 3HG2 VAL 96 -13.219 -0.396 8.160 759 H MET 97 H MET 97 -12.809 -1.371 3.430 760 HA MET 97 HA MET 97 -10.204 -0.896 2.340 761 1HB MET 97 2HB MET 97 -10.580 -2.866 0.991 762 2HB MET 97 1HB MET 97 -11.128 -3.173 2.632 763 1HG MET 97 2HG MET 97 -13.370 -3.092 2.026 764 2HG MET 97 1HG MET 97 -13.029 -2.281 0.501 765 1HE MET 97 1HE MET 97 -11.814 -3.370 -1.487 766 2HE MET 97 2HE MET 97 -11.507 -5.097 -1.679 767 3HE MET 97 3HE MET 97 -10.511 -4.140 -0.582 768 H ASP 98 H ASP 98 -13.488 -0.252 1.328 769 HA ASP 98 HA ASP 98 -12.802 0.437 -1.351 770 1HB ASP 98 2HB ASP 98 -15.075 -0.340 -0.645 771 2HB ASP 98 1HB ASP 98 -15.289 1.201 0.182 772 H ASN 99 H ASN 99 -12.982 2.106 1.675 773 HA ASN 99 HA ASN 99 -12.995 4.737 0.596 774 1HB ASN 99 2HB ASN 99 -12.323 3.679 3.340 775 2HB ASN 99 1HB ASN 99 -12.320 5.395 2.942 776 1HD2 ASN 99 1HD2 ASN 99 -13.932 4.331 4.916 777 2HD2 ASN 99 2HD2 ASN 99 -15.584 4.458 4.425 778 H ILE 100 H ILE 100 -10.561 2.446 1.515 779 HA ILE 100 HA ILE 100 -8.387 4.339 1.210 780 HB ILE 100 HB ILE 100 -8.311 1.352 1.667 781 1HG1 ILE 100 2HG1 ILE 100 -9.368 2.642 3.506 782 2HG1 ILE 100 1HG1 ILE 100 -7.856 1.884 3.990 783 1HG2 ILE 100 1HG2 ILE 100 -6.267 2.105 0.646 784 2HG2 ILE 100 2HG2 ILE 100 -5.971 1.756 2.350 785 3HG2 ILE 100 3HG2 ILE 100 -6.131 3.427 1.806 786 1HD1 ILE 100 1HD1 ILE 100 -8.564 4.729 3.760 787 2HD1 ILE 100 2HD1 ILE 100 -6.940 4.287 3.236 788 3HD1 ILE 100 3HD1 ILE 100 -7.471 3.912 4.876 789 H LYS 101 H LYS 101 -9.671 1.502 -0.480 790 HA LYS 101 HA LYS 101 -7.731 1.322 -2.482 791 1HB LYS 101 2HB LYS 101 -9.402 -0.427 -2.040 792 2HB LYS 101 1HB LYS 101 -10.668 0.628 -2.655 793 1HG LYS 101 2HG LYS 101 -9.697 0.580 -4.861 794 2HG LYS 101 1HG LYS 101 -8.328 -0.364 -4.269 795 1HD LYS 101 2HD LYS 101 -9.793 -1.906 -5.307 796 2HD LYS 101 1HD LYS 101 -10.004 -2.120 -3.568 797 1HE LYS 101 2HE LYS 101 -12.172 -2.123 -4.542 798 2HE LYS 101 1HE LYS 101 -11.977 -0.579 -3.714 799 1HZ LYS 101 1HZ LYS 101 -12.266 -1.140 -6.544 800 2HZ LYS 101 2HZ LYS 101 -11.116 0.039 -6.159 801 3HZ LYS 101 3HZ LYS 101 -12.720 0.229 -5.657 802 H MET 102 H MET 102 -10.554 3.384 -2.195 803 HA MET 102 HA MET 102 -10.395 4.322 -4.903 804 1HB MET 102 2HB MET 102 -12.004 5.224 -2.523 805 2HB MET 102 1HB MET 102 -12.097 6.012 -4.092 806 1HG MET 102 2HG MET 102 -12.837 3.914 -5.101 807 2HG MET 102 1HG MET 102 -12.751 3.129 -3.525 808 1HE MET 102 1HE MET 102 -15.777 6.082 -5.136 809 2HE MET 102 2HE MET 102 -14.084 5.902 -5.594 810 3HE MET 102 3HE MET 102 -14.522 6.910 -4.214 811 H THR 103 H THR 103 -9.533 5.586 -1.744 812 HA THR 103 HA THR 103 -8.681 8.116 -2.662 813 HB THR 103 HB THR 103 -9.215 7.310 -0.242 814 HG1 THR 103 HG1 THR 103 -8.666 9.403 -0.512 815 1HG2 THR 103 1HG2 THR 103 -7.243 6.889 1.130 816 2HG2 THR 103 2HG2 THR 103 -6.255 6.770 -0.328 817 3HG2 THR 103 3HG2 THR 103 -7.528 5.588 -0.025 818 H LEU 104 H LEU 104 -7.034 5.043 -2.208 819 HA LEU 104 HA LEU 104 -4.415 6.003 -2.696 820 1HB LEU 104 2HB LEU 104 -5.653 3.265 -2.912 821 2HB LEU 104 1HB LEU 104 -3.956 3.559 -3.240 822 HG LEU 104 HG LEU 104 -5.330 4.095 -0.605 823 1HD1 LEU 104 1HD1 LEU 104 -5.118 1.691 -1.192 824 2HD1 LEU 104 2HD1 LEU 104 -4.182 2.161 0.226 825 3HD1 LEU 104 3HD1 LEU 104 -3.375 1.918 -1.323 826 1HD2 LEU 104 1HD2 LEU 104 -3.031 4.397 0.228 827 2HD2 LEU 104 2HD2 LEU 104 -3.477 5.607 -0.976 828 3HD2 LEU 104 3HD2 LEU 104 -2.433 4.258 -1.424 829 H GLN 105 H GLN 105 -7.014 4.875 -4.770 830 HA GLN 105 HA GLN 105 -5.476 4.632 -7.132 831 1HB GLN 105 2HB GLN 105 -8.407 4.911 -6.569 832 2HB GLN 105 1HB GLN 105 -7.815 4.979 -8.224 833 1HG GLN 105 2HG GLN 105 -6.886 2.770 -8.034 834 2HG GLN 105 1HG GLN 105 -7.310 2.699 -6.324 835 1HE2 GLN 105 1HE2 GLN 105 -8.443 2.436 -9.571 836 2HE2 GLN 105 2HE2 GLN 105 -10.033 1.872 -9.199 837 H GLN 106 H GLN 106 -7.069 7.297 -5.569 838 HA GLN 106 HA GLN 106 -6.998 9.107 -7.735 839 1HB GLN 106 2HB GLN 106 -7.040 9.595 -4.752 840 2HB GLN 106 1HB GLN 106 -7.217 10.865 -5.955 841 1HG GLN 106 2HG GLN 106 -9.243 9.828 -6.788 842 2HG GLN 106 1HG GLN 106 -9.057 8.504 -5.638 843 1HE2 GLN 106 1HE2 GLN 106 -11.354 10.016 -5.742 844 2HE2 GLN 106 2HE2 GLN 106 -11.485 10.960 -4.301 845 H ILE 107 H ILE 107 -4.725 8.364 -5.139 846 HA ILE 107 HA ILE 107 -2.863 10.397 -5.614 847 HB ILE 107 HB ILE 107 -2.386 7.578 -4.631 848 1HG1 ILE 107 2HG1 ILE 107 -2.483 10.074 -2.955 849 2HG1 ILE 107 1HG1 ILE 107 -3.959 9.207 -3.369 850 1HG2 ILE 107 1HG2 ILE 107 -0.216 8.007 -4.631 851 2HG2 ILE 107 2HG2 ILE 107 -0.482 9.424 -3.615 852 3HG2 ILE 107 3HG2 ILE 107 -0.519 9.578 -5.372 853 1HD1 ILE 107 1HD1 ILE 107 -2.127 7.294 -2.416 854 2HD1 ILE 107 2HD1 ILE 107 -3.609 7.867 -1.652 855 3HD1 ILE 107 3HD1 ILE 107 -2.076 8.666 -1.308 856 H ILE 108 H ILE 108 -3.207 7.177 -7.007 857 HA ILE 108 HA ILE 108 -0.941 7.019 -8.594 858 HB ILE 108 HB ILE 108 -3.635 6.129 -9.577 859 1HG1 ILE 108 2HG1 ILE 108 -3.676 5.350 -7.355 860 2HG1 ILE 108 1HG1 ILE 108 -3.144 3.976 -8.315 861 1HG2 ILE 108 1HG2 ILE 108 -2.120 4.148 -10.278 862 2HG2 ILE 108 2HG2 ILE 108 -0.808 5.301 -10.030 863 3HG2 ILE 108 3HG2 ILE 108 -2.084 5.654 -11.195 864 1HD1 ILE 108 1HD1 ILE 108 -0.895 4.254 -7.599 865 2HD1 ILE 108 2HD1 ILE 108 -1.925 4.300 -6.169 866 3HD1 ILE 108 3HD1 ILE 108 -1.271 5.797 -6.833 867 H SER 109 H SER 109 -4.104 8.250 -9.403 868 HA SER 109 HA SER 109 -3.650 9.098 -11.997 869 1HB SER 109 2HB SER 109 -5.436 10.450 -9.966 870 2HB SER 109 1HB SER 109 -5.568 10.583 -11.720 871 HG SER 109 HG SER 109 -6.406 8.622 -11.825 872 H ARG 110 H ARG 110 -2.725 10.602 -9.011 873 HA ARG 110 HA ARG 110 -2.130 13.153 -10.098 874 1HB ARG 110 2HB ARG 110 -1.108 11.857 -7.570 875 2HB ARG 110 1HB ARG 110 -0.939 13.558 -7.979 876 1HG ARG 110 2HG ARG 110 -3.410 13.745 -8.008 877 2HG ARG 110 1HG ARG 110 -3.504 12.073 -7.455 878 1HD ARG 110 2HD ARG 110 -3.717 13.463 -5.536 879 2HD ARG 110 1HD ARG 110 -2.107 12.744 -5.485 880 HE ARG 110 HE ARG 110 -1.679 15.108 -6.721 881 1HH1 ARG 110 1HH1 ARG 110 -3.284 14.239 -3.746 882 2HH1 ARG 110 2HH1 ARG 110 -2.905 15.733 -2.958 883 1HH2 ARG 110 1HH2 ARG 110 -1.179 17.074 -5.686 884 2HH2 ARG 110 2HH2 ARG 110 -1.710 17.343 -4.059 885 H TYR 111 H TYR 111 -0.346 10.199 -9.677 886 HA TYR 111 HA TYR 111 2.204 11.328 -10.313 887 1HB TYR 111 2HB TYR 111 1.178 8.512 -10.078 888 2HB TYR 111 1HB TYR 111 2.808 8.845 -10.654 889 HD1 TYR 111 HD1 TYR 111 4.341 10.218 -9.124 890 HD2 TYR 111 HD2 TYR 111 0.731 8.408 -7.786 891 HE1 TYR 111 HE1 TYR 111 5.138 10.361 -6.802 892 HE2 TYR 111 HE2 TYR 111 1.517 8.546 -5.461 893 HH TYR 111 HH TYR 111 3.574 8.740 -4.219 894 H LYS 112 H LYS 112 -0.397 9.878 -12.086 895 HA LYS 112 HA LYS 112 1.044 9.528 -14.519 896 1HB LYS 112 2HB LYS 112 -1.899 9.516 -13.862 897 2HB LYS 112 1HB LYS 112 -1.285 9.251 -15.488 898 1HG LYS 112 2HG LYS 112 -0.607 7.157 -15.033 899 2HG LYS 112 1HG LYS 112 -0.076 7.569 -13.402 900 1HD LYS 112 2HD LYS 112 -1.923 6.057 -13.222 901 2HD LYS 112 1HD LYS 112 -2.476 7.656 -12.721 902 1HE LYS 112 2HE LYS 112 -4.110 6.524 -14.162 903 2HE LYS 112 1HE LYS 112 -3.502 8.009 -14.890 904 1HZ LYS 112 1HZ LYS 112 -2.450 5.309 -15.531 905 2HZ LYS 112 2HZ LYS 112 -2.097 6.759 -16.327 906 3HZ LYS 112 3HZ LYS 112 -3.647 6.092 -16.436 907 H ASP 113 H ASP 113 -0.861 12.080 -13.082 908 HA ASP 113 HA ASP 113 -1.364 13.632 -15.355 909 1HB ASP 113 2HB ASP 113 -0.941 14.453 -12.477 910 2HB ASP 113 1HB ASP 113 -1.512 15.545 -13.735 911 H ALA 114 H ALA 114 1.457 13.448 -13.252 912 HA ALA 114 HA ALA 114 2.840 15.681 -14.240 913 1HB ALA 114 1HB ALA 114 3.708 14.859 -12.264 914 2HB ALA 114 2HB ALA 114 4.889 14.291 -13.444 915 3HB ALA 114 3HB ALA 114 3.665 13.186 -12.818 916 H ASP 115 H ASP 115 2.555 12.395 -15.418 917 HA ASP 115 HA ASP 115 4.045 13.194 -17.823 918 1HB ASP 115 2HB ASP 115 4.303 10.580 -16.325 919 2HB ASP 115 1HB ASP 115 4.952 10.858 -17.938 Start of MODEL 7 1 HT1 PRO 1 HT2 PRO 1 -15.472 8.741 7.460 2 HT2 PRO 1 HT1 PRO 1 -15.126 7.594 6.246 3 HA PRO 1 HA PRO 1 -13.430 9.328 7.550 4 1HB PRO 1 2HB PRO 1 -12.239 6.654 7.836 5 2HB PRO 1 1HB PRO 1 -12.198 8.033 8.942 6 1HG PRO 1 2HG PRO 1 -13.717 5.834 9.408 7 2HG PRO 1 1HG PRO 1 -14.177 7.455 9.955 8 1HD PRO 1 2HD PRO 1 -15.231 5.855 7.661 9 2HD PRO 1 1HD PRO 1 -16.079 6.991 8.730 10 H SER 2 H SER 2 -12.031 9.939 6.006 11 HA SER 2 HA SER 2 -11.548 8.094 3.758 12 1HB SER 2 2HB SER 2 -11.830 11.106 3.634 13 2HB SER 2 1HB SER 2 -11.461 10.053 2.269 14 HG SER 2 HG SER 2 -13.522 8.976 2.860 15 H HIS 3 H HIS 3 -9.497 8.171 2.771 16 HA HIS 3 HA HIS 3 -7.227 8.290 2.737 17 1HB HIS 3 2HB HIS 3 -7.955 10.944 3.931 18 2HB HIS 3 1HB HIS 3 -6.266 10.472 3.795 19 HD1 HIS 3 HD1 HIS 3 -9.298 11.117 1.632 20 HD2 HIS 3 HD2 HIS 3 -5.169 10.784 1.302 21 HE1 HIS 3 HE1 HIS 3 -8.752 11.821 -0.720 22 HE2 HIS 3 HE2 HIS 3 -6.240 11.696 -0.868 23 H SER 4 H SER 4 -8.647 7.044 5.016 24 HA SER 4 HA SER 4 -6.442 6.297 6.559 25 1HB SER 4 2HB SER 4 -7.042 7.341 8.737 26 2HB SER 4 1HB SER 4 -6.527 8.522 7.533 27 HG SER 4 HG SER 4 -8.998 8.154 8.716 28 H GLY 5 H GLY 5 -6.954 4.284 7.036 29 1HA GLY 5 2HA GLY 5 -9.424 3.662 8.403 30 2HA GLY 5 1HA GLY 5 -9.309 2.991 6.782 31 H ALA 6 H ALA 6 -9.482 1.503 9.239 32 HA ALA 6 HA ALA 6 -6.940 0.563 10.026 33 1HB ALA 6 1HB ALA 6 -9.627 -0.770 10.275 34 2HB ALA 6 2HB ALA 6 -8.858 0.280 11.467 35 3HB ALA 6 3HB ALA 6 -8.145 -1.288 11.080 36 H ALA 7 H ALA 7 -5.714 -1.094 9.347 37 HA ALA 7 HA ALA 7 -6.688 -2.963 7.375 38 1HB ALA 7 1HB ALA 7 -6.026 -1.088 5.979 39 2HB ALA 7 2HB ALA 7 -4.941 -2.457 5.734 40 3HB ALA 7 3HB ALA 7 -4.425 -1.087 6.720 41 H ILE 8 H ILE 8 -5.437 -4.847 7.184 42 HA ILE 8 HA ILE 8 -3.515 -5.225 9.358 43 HB ILE 8 HB ILE 8 -4.661 -7.301 7.501 44 1HG1 ILE 8 2HG1 ILE 8 -5.585 -6.751 10.310 45 2HG1 ILE 8 1HG1 ILE 8 -6.362 -6.030 8.899 46 1HG2 ILE 8 1HG2 ILE 8 -3.747 -8.921 8.848 47 2HG2 ILE 8 2HG2 ILE 8 -3.641 -7.854 10.246 48 3HG2 ILE 8 3HG2 ILE 8 -2.501 -7.677 8.914 49 1HD1 ILE 8 1HD1 ILE 8 -5.940 -8.969 9.009 50 2HD1 ILE 8 2HD1 ILE 8 -7.168 -8.030 8.152 51 3HD1 ILE 8 3HD1 ILE 8 -7.277 -8.235 9.902 52 H PHE 9 H PHE 9 -1.453 -5.906 9.061 53 HA PHE 9 HA PHE 9 -0.484 -6.440 6.372 54 1HB PHE 9 2HB PHE 9 -0.196 -4.021 6.600 55 2HB PHE 9 1HB PHE 9 0.681 -4.254 8.105 56 HD1 PHE 9 HD1 PHE 9 0.852 -5.696 4.667 57 HD2 PHE 9 HD2 PHE 9 2.923 -3.890 7.912 58 HE1 PHE 9 HE1 PHE 9 2.958 -5.858 3.405 59 HE2 PHE 9 HE2 PHE 9 5.036 -4.046 6.659 60 HZ PHE 9 HZ PHE 9 5.055 -5.032 4.400 61 H GLU 10 H GLU 10 0.297 -8.407 6.700 62 HA GLU 10 HA GLU 10 1.773 -10.014 7.343 63 1HB GLU 10 2HB GLU 10 2.845 -8.082 9.393 64 2HB GLU 10 1HB GLU 10 3.627 -9.529 8.780 65 1HG GLU 10 2HG GLU 10 3.735 -8.476 6.547 66 2HG GLU 10 1HG GLU 10 3.061 -7.004 7.247 67 H LYS 11 H LYS 11 -0.750 -10.181 8.233 68 HA LYS 11 HA LYS 11 -2.072 -11.219 9.723 69 1HB LYS 11 2HB LYS 11 0.653 -12.116 10.472 70 2HB LYS 11 1HB LYS 11 -0.689 -12.547 11.524 71 1HG LYS 11 2HG LYS 11 -0.912 -13.035 8.598 72 2HG LYS 11 1HG LYS 11 0.063 -14.130 9.584 73 1HD LYS 11 2HD LYS 11 -1.912 -14.431 11.077 74 2HD LYS 11 1HD LYS 11 -2.861 -13.475 9.936 75 1HE LYS 11 2HE LYS 11 -1.846 -15.252 8.232 76 2HE LYS 11 1HE LYS 11 -1.803 -16.235 9.695 77 1HZ LYS 11 1HZ LYS 11 -4.192 -15.672 9.997 78 2HZ LYS 11 2HZ LYS 11 -3.874 -16.605 8.622 79 3HZ LYS 11 3HZ LYS 11 -4.177 -14.947 8.469 80 H VAL 12 H VAL 12 -0.725 -8.460 10.389 81 HA VAL 12 HA VAL 12 -1.724 -8.414 13.129 82 HB VAL 12 HB VAL 12 0.596 -6.819 12.040 83 1HG1 VAL 12 1HG1 VAL 12 -0.578 -6.777 14.816 84 2HG1 VAL 12 2HG1 VAL 12 -0.824 -5.526 13.598 85 3HG1 VAL 12 3HG1 VAL 12 0.792 -5.831 14.235 86 1HG2 VAL 12 1HG2 VAL 12 1.195 -9.119 12.545 87 2HG2 VAL 12 2HG2 VAL 12 0.494 -8.962 14.156 88 3HG2 VAL 12 3HG2 VAL 12 1.919 -8.020 13.718 89 H SER 13 H SER 13 -3.122 -6.739 13.611 90 HA SER 13 HA SER 13 -3.971 -5.172 11.283 91 1HB SER 13 2HB SER 13 -5.528 -5.472 13.847 92 2HB SER 13 1HB SER 13 -6.125 -5.044 12.244 93 HG SER 13 HG SER 13 -6.276 -7.361 13.194 94 H GLY 14 H GLY 14 -4.298 -3.006 11.348 95 1HA GLY 14 2HA GLY 14 -3.896 -1.427 13.701 96 2HA GLY 14 1HA GLY 14 -2.506 -1.385 12.621 97 H ILE 15 H ILE 15 -3.473 0.992 12.899 98 HA ILE 15 HA ILE 15 -5.573 1.461 10.935 99 HB ILE 15 HB ILE 15 -4.186 3.344 12.836 100 1HG1 ILE 15 2HG1 ILE 15 -6.341 1.509 13.115 101 2HG1 ILE 15 1HG1 ILE 15 -5.729 2.655 14.304 102 1HG2 ILE 15 1HG2 ILE 15 -5.941 4.977 12.132 103 2HG2 ILE 15 2HG2 ILE 15 -6.356 3.883 10.813 104 3HG2 ILE 15 3HG2 ILE 15 -4.751 4.609 10.883 105 1HD1 ILE 15 1HD1 ILE 15 -8.068 3.003 14.064 106 2HD1 ILE 15 2HD1 ILE 15 -7.934 3.088 12.307 107 3HD1 ILE 15 3HD1 ILE 15 -7.248 4.369 13.308 108 H ILE 16 H ILE 16 -5.217 2.062 8.943 109 HA ILE 16 HA ILE 16 -2.488 2.743 8.130 110 HB ILE 16 HB ILE 16 -4.687 1.220 6.949 111 1HG1 ILE 16 2HG1 ILE 16 -1.713 1.431 6.468 112 2HG1 ILE 16 1HG1 ILE 16 -2.575 0.201 7.378 113 1HG2 ILE 16 1HG2 ILE 16 -5.048 3.061 5.484 114 2HG2 ILE 16 2HG2 ILE 16 -4.113 1.871 4.580 115 3HG2 ILE 16 3HG2 ILE 16 -3.317 3.298 5.242 116 1HD1 ILE 16 1HD1 ILE 16 -1.844 0.174 4.658 117 2HD1 ILE 16 2HD1 ILE 16 -3.605 0.231 4.735 118 3HD1 ILE 16 3HD1 ILE 16 -2.727 -1.050 5.571 119 H ALA 17 H ALA 17 -2.037 4.810 7.776 120 HA ALA 17 HA ALA 17 -4.222 6.626 6.987 121 1HB ALA 17 1HB ALA 17 -2.884 8.434 8.012 122 2HB ALA 17 2HB ALA 17 -1.715 7.229 8.550 123 3HB ALA 17 3HB ALA 17 -3.365 7.194 9.171 124 H ILE 18 H ILE 18 -3.901 8.043 5.293 125 HA ILE 18 HA ILE 18 -1.581 7.440 3.608 126 HB ILE 18 HB ILE 18 -4.397 8.088 3.066 127 1HG1 ILE 18 2HG1 ILE 18 -2.342 6.799 1.277 128 2HG1 ILE 18 1HG1 ILE 18 -3.132 5.931 2.590 129 1HG2 ILE 18 1HG2 ILE 18 -2.222 9.317 1.389 130 2HG2 ILE 18 2HG2 ILE 18 -3.531 10.146 2.231 131 3HG2 ILE 18 3HG2 ILE 18 -3.888 9.107 0.851 132 1HD1 ILE 18 1HD1 ILE 18 -4.816 5.464 1.244 133 2HD1 ILE 18 2HD1 ILE 18 -4.051 6.384 -0.053 134 3HD1 ILE 18 3HD1 ILE 18 -5.152 7.187 1.068 135 H ASN 19 H ASN 19 0.020 8.855 3.588 136 HA ASN 19 HA ASN 19 -0.551 11.655 4.289 137 1HB ASN 19 2HB ASN 19 2.021 10.076 4.473 138 2HB ASN 19 1HB ASN 19 1.881 11.796 4.825 139 1HD2 ASN 19 1HD2 ASN 19 2.810 9.950 6.670 140 2HD2 ASN 19 2HD2 ASN 19 1.675 9.838 7.969 141 H GLU 20 H GLU 20 -0.786 12.865 2.538 142 HA GLU 20 HA GLU 20 0.995 12.383 0.246 143 1HB GLU 20 2HB GLU 20 -0.781 13.805 -0.978 144 2HB GLU 20 1HB GLU 20 -1.173 12.139 -0.577 145 1HG GLU 20 2HG GLU 20 -2.412 12.909 1.388 146 2HG GLU 20 1HG GLU 20 -2.030 14.578 0.965 147 H ASP 21 H ASP 21 0.552 14.405 2.839 148 HA ASP 21 HA ASP 21 0.969 16.958 1.769 149 1HB ASP 21 2HB ASP 21 0.274 16.438 4.124 150 2HB ASP 21 1HB ASP 21 1.937 15.961 4.451 151 H VAL 22 H VAL 22 3.099 14.290 2.071 152 HA VAL 22 HA VAL 22 5.443 15.985 1.821 153 HB VAL 22 HB VAL 22 5.222 13.879 3.362 154 1HG1 VAL 22 1HG1 VAL 22 6.525 12.407 1.163 155 2HG1 VAL 22 2HG1 VAL 22 4.769 12.550 1.104 156 3HG1 VAL 22 3HG1 VAL 22 5.546 11.815 2.506 157 1HG2 VAL 22 1HG2 VAL 22 7.428 15.193 2.073 158 2HG2 VAL 22 2HG2 VAL 22 7.818 13.511 2.431 159 3HG2 VAL 22 3HG2 VAL 22 7.289 14.587 3.723 160 H SER 23 H SER 23 7.063 14.175 0.396 161 HA SER 23 HA SER 23 5.864 13.469 -2.086 162 1HB SER 23 2HB SER 23 6.671 15.138 -3.521 163 2HB SER 23 1HB SER 23 6.078 16.045 -2.131 164 HG SER 23 HG SER 23 8.031 16.866 -2.248 165 HA PRO 24 HA PRO 24 6.039 11.951 -3.316 166 1HB PRO 24 2HB PRO 24 6.316 9.270 -3.182 167 2HB PRO 24 1HB PRO 24 7.124 10.243 -4.416 168 1HG PRO 24 2HG PRO 24 8.218 9.134 -1.859 169 2HG PRO 24 1HG PRO 24 8.961 9.173 -3.469 170 1HD PRO 24 2HD PRO 24 9.580 10.952 -1.510 171 2HD PRO 24 1HD PRO 24 9.644 11.356 -3.237 172 H ALA 25 H ALA 25 4.075 11.192 -2.530 173 HA ALA 25 HA ALA 25 3.542 11.423 0.188 174 1HB ALA 25 1HB ALA 25 1.794 11.637 -1.459 175 2HB ALA 25 2HB ALA 25 1.370 10.347 -0.334 176 3HB ALA 25 3HB ALA 25 1.987 9.951 -1.938 177 H GLU 26 H GLU 26 2.490 9.599 1.529 178 HA GLU 26 HA GLU 26 3.555 6.953 1.082 179 1HB GLU 26 2HB GLU 26 4.499 8.581 3.446 180 2HB GLU 26 1HB GLU 26 4.793 6.863 3.220 181 1HG GLU 26 2HG GLU 26 6.013 7.406 1.128 182 2HG GLU 26 1HG GLU 26 5.821 9.115 1.514 183 H LEU 27 H LEU 27 2.569 5.363 2.315 184 HA LEU 27 HA LEU 27 0.224 6.265 3.846 185 1HB LEU 27 2HB LEU 27 -0.220 4.892 1.837 186 2HB LEU 27 1HB LEU 27 0.736 3.596 2.528 187 HG LEU 27 HG LEU 27 -1.656 4.663 3.989 188 1HD1 LEU 27 1HD1 LEU 27 -2.586 4.145 1.876 189 2HD1 LEU 27 2HD1 LEU 27 -2.915 2.760 2.917 190 3HD1 LEU 27 3HD1 LEU 27 -1.615 2.680 1.728 191 1HD2 LEU 27 1HD2 LEU 27 -0.475 3.242 5.374 192 2HD2 LEU 27 2HD2 LEU 27 0.034 2.199 4.045 193 3HD2 LEU 27 3HD2 LEU 27 -1.631 2.143 4.622 194 H THR 28 H THR 28 0.505 6.186 5.984 195 HA THR 28 HA THR 28 2.500 4.498 7.167 196 HB THR 28 HB THR 28 0.726 6.030 8.909 197 HG1 THR 28 HG1 THR 28 0.569 7.640 7.566 198 1HG2 THR 28 1HG2 THR 28 2.937 5.207 9.586 199 2HG2 THR 28 2HG2 THR 28 2.776 6.956 9.740 200 3HG2 THR 28 3HG2 THR 28 3.661 6.268 8.381 201 H TRP 29 H TRP 29 2.118 2.927 8.716 202 HA TRP 29 HA TRP 29 -0.644 2.048 9.116 203 1HB TRP 29 2HB TRP 29 0.350 0.578 7.426 204 2HB TRP 29 1HB TRP 29 1.719 0.262 8.490 205 HD1 TRP 29 HD1 TRP 29 -2.099 0.093 9.093 206 HE1 TRP 29 HE1 TRP 29 -2.649 -2.195 10.153 207 HE3 TRP 29 HE3 TRP 29 2.605 -1.903 9.197 208 HZ2 TRP 29 HZ2 TRP 29 -1.266 -4.507 10.927 209 HZ3 TRP 29 HZ3 TRP 29 2.900 -4.167 10.122 210 HH2 TRP 29 HH2 TRP 29 0.994 -5.447 10.966 211 H ARG 30 H ARG 30 -0.991 2.340 11.222 212 HA ARG 30 HA ARG 30 1.202 1.727 13.090 213 1HB ARG 30 2HB ARG 30 0.176 4.000 13.218 214 2HB ARG 30 1HB ARG 30 -1.359 3.250 13.630 215 1HG ARG 30 2HG ARG 30 -0.400 2.349 15.668 216 2HG ARG 30 1HG ARG 30 1.173 3.030 15.246 217 1HD ARG 30 2HD ARG 30 0.152 4.497 16.823 218 2HD ARG 30 1HD ARG 30 0.105 5.289 15.248 219 HE ARG 30 HE ARG 30 -2.284 3.826 15.768 220 1HH1 ARG 30 1HH1 ARG 30 -0.628 6.812 16.490 221 2HH1 ARG 30 2HH1 ARG 30 -2.086 7.690 16.807 222 1HH2 ARG 30 1HH2 ARG 30 -4.204 4.981 16.184 223 2HH2 ARG 30 2HH2 ARG 30 -4.117 6.650 16.634 224 H SER 31 H SER 31 1.069 -0.063 14.335 225 HA SER 31 HA SER 31 -0.950 -1.958 13.966 226 1HB SER 31 2HB SER 31 0.085 -3.153 15.866 227 2HB SER 31 1HB SER 31 1.293 -2.575 14.718 228 HG SER 31 HG SER 31 1.629 -2.200 17.090 229 H THR 32 H THR 32 -2.382 -2.853 15.620 230 HA THR 32 HA THR 32 -4.147 -0.951 16.641 231 HB THR 32 HB THR 32 -3.747 -3.879 16.790 232 HG1 THR 32 HG1 THR 32 -5.880 -2.150 16.117 233 1HG2 THR 32 1HG2 THR 32 -5.576 -2.450 18.679 234 2HG2 THR 32 2HG2 THR 32 -4.243 -3.531 19.076 235 3HG2 THR 32 3HG2 THR 32 -5.683 -4.164 18.280 236 H ASP 33 H ASP 33 -1.419 -2.607 17.970 237 HA ASP 33 HA ASP 33 -1.897 -1.987 20.696 238 1HB ASP 33 2HB ASP 33 -0.407 -3.835 19.867 239 2HB ASP 33 1HB ASP 33 0.768 -2.601 19.422 240 H GLY 34 H GLY 34 -0.261 -0.381 18.087 241 1HA GLY 34 2HA GLY 34 0.226 1.887 17.910 242 2HA GLY 34 1HA GLY 34 -0.199 2.084 19.604 243 H ASP 35 H ASP 35 2.011 -0.396 18.647 244 HA ASP 35 HA ASP 35 4.202 1.152 19.846 245 1HB ASP 35 2HB ASP 35 3.520 -0.846 21.140 246 2HB ASP 35 1HB ASP 35 3.889 -1.854 19.744 247 H LYS 36 H LYS 36 3.122 -0.479 17.034 248 HA LYS 36 HA LYS 36 5.785 -0.131 15.827 249 1HB LYS 36 2HB LYS 36 4.005 -2.469 15.848 250 2HB LYS 36 1HB LYS 36 4.610 -2.040 14.253 251 1HG LYS 36 2HG LYS 36 6.903 -2.135 15.108 252 2HG LYS 36 1HG LYS 36 6.284 -2.596 16.694 253 1HD LYS 36 2HD LYS 36 5.271 -4.605 15.688 254 2HD LYS 36 1HD LYS 36 5.955 -4.148 14.126 255 1HE LYS 36 2HE LYS 36 7.348 -5.821 15.192 256 2HE LYS 36 1HE LYS 36 8.210 -4.286 15.090 257 1HZ LYS 36 1HZ LYS 36 7.858 -3.884 17.374 258 2HZ LYS 36 2HZ LYS 36 8.389 -5.487 17.264 259 3HZ LYS 36 3HZ LYS 36 6.749 -5.154 17.518 260 H VAL 37 H VAL 37 5.873 1.042 14.012 261 HA VAL 37 HA VAL 37 3.354 1.638 12.612 262 HB VAL 37 HB VAL 37 5.515 3.679 13.140 263 1HG1 VAL 37 1HG1 VAL 37 2.740 3.926 11.986 264 2HG1 VAL 37 2HG1 VAL 37 4.260 4.088 11.106 265 3HG1 VAL 37 3HG1 VAL 37 3.823 5.274 12.337 266 1HG2 VAL 37 1HG2 VAL 37 3.151 2.883 14.719 267 2HG2 VAL 37 2HG2 VAL 37 3.399 4.616 14.503 268 3HG2 VAL 37 3HG2 VAL 37 4.664 3.628 15.234 269 H HIS 38 H HIS 38 3.467 1.125 10.540 270 HA HIS 38 HA HIS 38 6.121 0.992 9.266 271 1HB HIS 38 2HB HIS 38 4.932 -1.146 9.321 272 2HB HIS 38 1HB HIS 38 3.578 -0.414 8.476 273 HD1 HIS 38 HD1 HIS 38 6.428 -2.427 7.836 274 HD2 HIS 38 HD2 HIS 38 4.551 0.689 5.827 275 HE1 HIS 38 HE1 HIS 38 7.198 -2.605 5.448 276 HE2 HIS 38 HE2 HIS 38 6.119 -0.658 4.271 277 H THR 39 H THR 39 6.496 1.949 7.348 278 HA THR 39 HA THR 39 4.412 3.801 6.386 279 HB THR 39 HB THR 39 7.381 4.177 6.026 280 HG1 THR 39 HG1 THR 39 5.700 5.095 8.109 281 1HG2 THR 39 1HG2 THR 39 6.001 5.509 4.535 282 2HG2 THR 39 2HG2 THR 39 6.810 6.521 5.732 283 3HG2 THR 39 3HG2 THR 39 5.099 6.132 5.917 284 H VAL 40 H VAL 40 3.870 3.797 4.275 285 HA VAL 40 HA VAL 40 5.339 1.950 2.507 286 HB VAL 40 HB VAL 40 2.391 2.583 2.365 287 1HG1 VAL 40 1HG1 VAL 40 2.230 0.971 0.683 288 2HG1 VAL 40 2HG1 VAL 40 3.816 0.296 1.051 289 3HG1 VAL 40 3HG1 VAL 40 3.689 1.874 0.276 290 1HG2 VAL 40 1HG2 VAL 40 1.908 0.559 3.438 291 2HG2 VAL 40 2HG2 VAL 40 3.186 1.282 4.414 292 3HG2 VAL 40 3HG2 VAL 40 3.567 -0.020 3.287 293 H VAL 41 H VAL 41 5.789 2.600 0.439 294 HA VAL 41 HA VAL 41 5.505 5.454 -0.087 295 HB VAL 41 HB VAL 41 6.976 3.440 -1.783 296 1HG1 VAL 41 1HG1 VAL 41 6.704 5.426 -2.993 297 2HG1 VAL 41 2HG1 VAL 41 8.319 5.555 -2.298 298 3HG1 VAL 41 3HG1 VAL 41 6.974 6.434 -1.571 299 1HG2 VAL 41 1HG2 VAL 41 8.972 4.608 -0.468 300 2HG2 VAL 41 2HG2 VAL 41 8.190 3.140 0.119 301 3HG2 VAL 41 3HG2 VAL 41 7.737 4.708 0.788 302 H LEU 42 H LEU 42 3.958 6.233 -1.354 303 HA LEU 42 HA LEU 42 2.310 4.406 -2.893 304 1HB LEU 42 2HB LEU 42 1.988 7.388 -2.599 305 2HB LEU 42 1HB LEU 42 0.778 6.233 -3.126 306 HG LEU 42 HG LEU 42 1.902 6.549 -0.345 307 1HD1 LEU 42 1HD1 LEU 42 -0.990 6.564 -0.845 308 2HD1 LEU 42 2HD1 LEU 42 -0.105 7.924 -1.536 309 3HD1 LEU 42 3HD1 LEU 42 -0.009 7.595 0.195 310 1HD2 LEU 42 1HD2 LEU 42 0.643 4.247 -1.637 311 2HD2 LEU 42 2HD2 LEU 42 -0.156 4.756 -0.150 312 3HD2 LEU 42 3HD2 LEU 42 1.559 4.347 -0.132 313 H SER 43 H SER 43 5.010 6.353 -3.486 314 HA SER 43 HA SER 43 4.342 7.062 -6.197 315 1HB SER 43 2HB SER 43 6.696 7.852 -6.308 316 2HB SER 43 1HB SER 43 5.822 8.522 -4.930 317 HG SER 43 HG SER 43 7.107 7.486 -3.614 318 H THR 44 H THR 44 5.964 4.457 -4.554 319 HA THR 44 HA THR 44 7.175 3.410 -6.943 320 HB THR 44 HB THR 44 8.220 3.085 -4.736 321 HG1 THR 44 HG1 THR 44 7.382 0.644 -5.906 322 1HG2 THR 44 1HG2 THR 44 6.109 2.773 -3.448 323 2HG2 THR 44 2HG2 THR 44 7.368 1.587 -3.108 324 3HG2 THR 44 3HG2 THR 44 6.002 1.152 -4.135 325 H ILE 45 H ILE 45 4.165 3.100 -5.313 326 HA ILE 45 HA ILE 45 3.335 0.564 -6.146 327 HB ILE 45 HB ILE 45 1.565 2.990 -5.834 328 1HG1 ILE 45 2HG1 ILE 45 2.915 2.767 -3.840 329 2HG1 ILE 45 1HG1 ILE 45 1.285 2.204 -3.484 330 1HG2 ILE 45 1HG2 ILE 45 0.858 0.120 -5.304 331 2HG2 ILE 45 2HG2 ILE 45 0.656 0.859 -6.892 332 3HG2 ILE 45 3HG2 ILE 45 -0.220 1.501 -5.504 333 1HD1 ILE 45 1HD1 ILE 45 2.548 0.581 -2.488 334 2HD1 ILE 45 2HD1 ILE 45 3.817 0.664 -3.709 335 3HD1 ILE 45 3HD1 ILE 45 2.289 -0.133 -4.078 336 H ASP 46 H ASP 46 3.922 0.145 -8.259 337 HA ASP 46 HA ASP 46 3.463 1.802 -10.463 338 1HB ASP 46 2HB ASP 46 4.929 -0.236 -10.431 339 2HB ASP 46 1HB ASP 46 3.472 -1.223 -10.476 340 H LYS 47 H LYS 47 1.371 -0.434 -8.771 341 HA LYS 47 HA LYS 47 -0.952 0.705 -10.016 342 1HB LYS 47 2HB LYS 47 -0.135 -2.129 -10.650 343 2HB LYS 47 1HB LYS 47 -1.797 -1.574 -10.789 344 1HG LYS 47 2HG LYS 47 -0.921 0.225 -12.340 345 2HG LYS 47 1HG LYS 47 0.597 -0.673 -12.358 346 1HD LYS 47 2HD LYS 47 -2.078 -1.858 -13.085 347 2HD LYS 47 1HD LYS 47 -0.934 -1.204 -14.258 348 1HE LYS 47 2HE LYS 47 0.477 -2.963 -14.064 349 2HE LYS 47 1HE LYS 47 0.144 -3.177 -12.345 350 1HZ LYS 47 1HZ LYS 47 -1.931 -4.242 -12.889 351 2HZ LYS 47 2HZ LYS 47 -0.673 -5.027 -13.702 352 3HZ LYS 47 3HZ LYS 47 -1.692 -3.970 -14.541 353 H LEU 48 H LEU 48 -2.980 -0.494 -9.228 354 HA LEU 48 HA LEU 48 -2.518 -1.509 -6.501 355 1HB LEU 48 2HB LEU 48 -4.508 -0.356 -5.753 356 2HB LEU 48 1HB LEU 48 -3.378 0.788 -6.452 357 HG LEU 48 HG LEU 48 -5.384 -0.246 -8.339 358 1HD1 LEU 48 1HD1 LEU 48 -6.417 1.811 -6.471 359 2HD1 LEU 48 2HD1 LEU 48 -6.468 0.127 -5.951 360 3HD1 LEU 48 3HD1 LEU 48 -7.283 0.618 -7.437 361 1HD2 LEU 48 1HD2 LEU 48 -5.235 1.866 -9.244 362 2HD2 LEU 48 2HD2 LEU 48 -3.630 1.674 -8.539 363 3HD2 LEU 48 3HD2 LEU 48 -4.857 2.620 -7.695 364 H GLN 49 H GLN 49 -3.666 -3.271 -5.875 365 HA GLN 49 HA GLN 49 -5.672 -4.327 -7.752 366 1HB GLN 49 2HB GLN 49 -3.290 -5.429 -7.713 367 2HB GLN 49 1HB GLN 49 -3.874 -6.178 -6.234 368 1HG GLN 49 2HG GLN 49 -4.469 -7.775 -7.730 369 2HG GLN 49 1HG GLN 49 -5.931 -6.790 -7.761 370 1HE2 GLN 49 1HE2 GLN 49 -6.460 -5.673 -9.584 371 2HE2 GLN 49 2HE2 GLN 49 -5.605 -5.823 -11.078 372 H ALA 50 H ALA 50 -7.551 -4.217 -6.706 373 HA ALA 50 HA ALA 50 -7.615 -4.899 -3.844 374 1HB ALA 50 1HB ALA 50 -9.294 -3.392 -3.521 375 2HB ALA 50 2HB ALA 50 -9.938 -3.591 -5.152 376 3HB ALA 50 3HB ALA 50 -8.484 -2.627 -4.888 377 H THR 51 H THR 51 -9.301 -6.235 -3.048 378 HA THR 51 HA THR 51 -9.908 -8.441 -4.739 379 HB THR 51 HB THR 51 -11.322 -9.166 -2.746 380 HG1 THR 51 HG1 THR 51 -11.764 -7.620 -1.415 381 1HG2 THR 51 1HG2 THR 51 -8.412 -8.528 -2.414 382 2HG2 THR 51 2HG2 THR 51 -9.160 -10.074 -2.816 383 3HG2 THR 51 3HG2 THR 51 -9.344 -9.399 -1.196 384 HA PRO 52 HA PRO 52 -13.742 -7.101 -6.479 385 1HB PRO 52 2HB PRO 52 -14.911 -9.488 -6.993 386 2HB PRO 52 1HB PRO 52 -13.538 -8.879 -7.925 387 1HG PRO 52 2HG PRO 52 -13.574 -10.863 -5.684 388 2HG PRO 52 1HG PRO 52 -12.677 -10.918 -7.213 389 1HD PRO 52 2HD PRO 52 -11.538 -10.160 -4.870 390 2HD PRO 52 1HD PRO 52 -11.027 -9.509 -6.440 391 H ALA 53 H ALA 53 -16.013 -7.008 -6.097 392 HA ALA 53 HA ALA 53 -16.732 -7.066 -3.359 393 1HB ALA 53 1HB ALA 53 -19.113 -6.778 -4.545 394 2HB ALA 53 2HB ALA 53 -18.065 -6.361 -5.900 395 3HB ALA 53 3HB ALA 53 -17.950 -5.462 -4.386 396 H SER 54 H SER 54 -16.699 -9.506 -5.721 397 HA SER 54 HA SER 54 -18.850 -11.047 -4.516 398 1HB SER 54 2HB SER 54 -18.362 -10.955 -7.024 399 2HB SER 54 1HB SER 54 -16.973 -11.986 -6.680 400 HG SER 54 HG SER 54 -18.281 -13.614 -6.569 401 H SER 55 H SER 55 -15.734 -10.470 -3.688 402 HA SER 55 HA SER 55 -15.247 -13.210 -2.744 403 1HB SER 55 2HB SER 55 -13.388 -10.881 -3.224 404 2HB SER 55 1HB SER 55 -12.897 -12.314 -2.323 405 HG SER 55 HG SER 55 -12.486 -12.245 -4.695 406 H GLU 56 H GLU 56 -15.921 -13.550 -0.747 407 HA GLU 56 HA GLU 56 -16.614 -11.595 1.111 408 1HB GLU 56 2HB GLU 56 -17.342 -13.976 1.182 409 2HB GLU 56 1HB GLU 56 -15.724 -14.420 1.707 410 1HG GLU 56 2HG GLU 56 -17.105 -14.346 3.630 411 2HG GLU 56 1HG GLU 56 -16.046 -12.939 3.688 412 H LYS 57 H LYS 57 -13.536 -12.770 0.205 413 HA LYS 57 HA LYS 57 -12.247 -11.922 2.673 414 1HB LYS 57 2HB LYS 57 -11.133 -13.091 0.118 415 2HB LYS 57 1HB LYS 57 -10.158 -12.665 1.518 416 1HG LYS 57 2HG LYS 57 -11.472 -14.273 2.867 417 2HG LYS 57 1HG LYS 57 -12.322 -14.752 1.398 418 1HD LYS 57 2HD LYS 57 -10.146 -15.379 0.394 419 2HD LYS 57 1HD LYS 57 -9.361 -14.993 1.926 420 1HE LYS 57 2HE LYS 57 -9.676 -17.178 2.362 421 2HE LYS 57 1HE LYS 57 -11.314 -16.667 2.768 422 1HZ LYS 57 1HZ LYS 57 -12.136 -17.431 0.760 423 2HZ LYS 57 2HZ LYS 57 -10.998 -18.617 1.157 424 3HZ LYS 57 3HZ LYS 57 -10.622 -17.436 0.006 425 H MET 58 H MET 58 -12.364 -9.727 2.807 426 HA MET 58 HA MET 58 -11.769 -8.049 0.536 427 1HB MET 58 2HB MET 58 -12.120 -6.186 2.110 428 2HB MET 58 1HB MET 58 -13.455 -7.329 2.133 429 1HG MET 58 2HG MET 58 -11.866 -8.310 4.110 430 2HG MET 58 1HG MET 58 -11.578 -6.575 4.243 431 1HE MET 58 1HE MET 58 -15.159 -9.032 5.328 432 2HE MET 58 2HE MET 58 -13.817 -9.465 4.267 433 3HE MET 58 3HE MET 58 -15.242 -8.661 3.605 434 H MET 59 H MET 59 -9.746 -7.766 -0.113 435 HA MET 59 HA MET 59 -7.711 -7.050 1.846 436 1HB MET 59 2HB MET 59 -7.299 -9.264 -0.172 437 2HB MET 59 1HB MET 59 -6.078 -8.627 0.919 438 1HG MET 59 2HG MET 59 -7.363 -9.417 2.833 439 2HG MET 59 1HG MET 59 -8.602 -10.040 1.747 440 1HE MET 59 1HE MET 59 -8.128 -11.736 3.549 441 2HE MET 59 2HE MET 59 -6.699 -12.762 3.666 442 3HE MET 59 3HE MET 59 -7.993 -13.175 2.538 443 H LEU 60 H LEU 60 -6.102 -5.720 1.040 444 HA LEU 60 HA LEU 60 -6.472 -4.847 -1.752 445 1HB LEU 60 2HB LEU 60 -6.971 -3.274 0.283 446 2HB LEU 60 1HB LEU 60 -5.226 -3.107 0.340 447 HG LEU 60 HG LEU 60 -6.092 -1.266 -0.905 448 1HD1 LEU 60 1HD1 LEU 60 -5.066 -3.210 -2.958 449 2HD1 LEU 60 2HD1 LEU 60 -4.035 -2.442 -1.750 450 3HD1 LEU 60 3HD1 LEU 60 -4.889 -1.455 -2.935 451 1HD2 LEU 60 1HD2 LEU 60 -7.547 -3.327 -2.556 452 2HD2 LEU 60 2HD2 LEU 60 -7.433 -1.614 -2.960 453 3HD2 LEU 60 3HD2 LEU 60 -8.265 -2.119 -1.490 454 H ARG 61 H ARG 61 -4.832 -5.252 -3.068 455 HA ARG 61 HA ARG 61 -2.152 -5.652 -1.908 456 1HB ARG 61 2HB ARG 61 -3.090 -7.687 -2.904 457 2HB ARG 61 1HB ARG 61 -3.339 -6.838 -4.423 458 1HG ARG 61 2HG ARG 61 -0.881 -6.491 -4.563 459 2HG ARG 61 1HG ARG 61 -0.706 -7.501 -3.125 460 1HD ARG 61 2HD ARG 61 -1.991 -8.366 -5.715 461 2HD ARG 61 1HD ARG 61 -0.342 -8.750 -5.224 462 HE ARG 61 HE ARG 61 -1.893 -9.650 -3.167 463 1HH1 ARG 61 1HH1 ARG 61 -1.802 -10.224 -6.608 464 2HH1 ARG 61 2HH1 ARG 61 -2.404 -11.844 -6.479 465 1HH2 ARG 61 1HH2 ARG 61 -2.683 -11.779 -2.996 466 2HH2 ARG 61 2HH2 ARG 61 -2.903 -12.726 -4.429 467 H LEU 62 H LEU 62 -0.483 -4.471 -2.647 468 HA LEU 62 HA LEU 62 -0.964 -2.746 -4.986 469 1HB LEU 62 2HB LEU 62 -0.315 -2.023 -2.257 470 2HB LEU 62 1HB LEU 62 0.894 -1.422 -3.375 471 HG LEU 62 HG LEU 62 -0.975 -0.390 -4.705 472 1HD1 LEU 62 1HD1 LEU 62 -2.608 -0.960 -2.240 473 2HD1 LEU 62 2HD1 LEU 62 -2.753 -1.853 -3.754 474 3HD1 LEU 62 3HD1 LEU 62 -3.132 -0.131 -3.706 475 1HD2 LEU 62 1HD2 LEU 62 -0.706 1.536 -3.569 476 2HD2 LEU 62 2HD2 LEU 62 0.437 0.585 -2.620 477 3HD2 LEU 62 3HD2 LEU 62 -1.209 0.825 -2.035 478 H ILE 63 H ILE 63 0.508 -2.866 -6.538 479 HA ILE 63 HA ILE 63 2.957 -4.393 -6.010 480 HB ILE 63 HB ILE 63 1.848 -3.636 -8.708 481 1HG1 ILE 63 2HG1 ILE 63 1.139 -6.148 -8.638 482 2HG1 ILE 63 1HG1 ILE 63 1.207 -5.937 -6.892 483 1HG2 ILE 63 1HG2 ILE 63 3.330 -5.215 -9.599 484 2HG2 ILE 63 2HG2 ILE 63 3.625 -5.956 -8.027 485 3HG2 ILE 63 3HG2 ILE 63 4.278 -4.358 -8.385 486 1HD1 ILE 63 1HD1 ILE 63 -0.590 -4.525 -6.855 487 2HD1 ILE 63 2HD1 ILE 63 -1.024 -5.595 -8.189 488 3HD1 ILE 63 3HD1 ILE 63 -0.351 -3.997 -8.520 489 H GLY 64 H GLY 64 4.946 -3.531 -6.222 490 1HA GLY 64 2HA GLY 64 5.106 -0.653 -6.665 491 2HA GLY 64 1HA GLY 64 6.373 -1.675 -6.006 492 H LYS 65 H LYS 65 6.968 0.213 -7.898 493 HA LYS 65 HA LYS 65 6.979 -0.914 -10.534 494 1HB LYS 65 2HB LYS 65 7.962 1.564 -9.246 495 2HB LYS 65 1HB LYS 65 8.829 1.045 -10.685 496 1HG LYS 65 2HG LYS 65 6.762 1.051 -11.957 497 2HG LYS 65 1HG LYS 65 5.862 1.519 -10.512 498 1HD LYS 65 2HD LYS 65 7.172 3.597 -10.391 499 2HD LYS 65 1HD LYS 65 8.027 3.130 -11.862 500 1HE LYS 65 2HE LYS 65 5.620 2.941 -12.854 501 2HE LYS 65 1HE LYS 65 5.188 3.989 -11.504 502 1HZ LYS 65 1HZ LYS 65 5.699 5.550 -13.050 503 2HZ LYS 65 2HZ LYS 65 6.812 4.569 -13.863 504 3HZ LYS 65 3HZ LYS 65 7.252 5.325 -12.415 505 H VAL 66 H VAL 66 9.350 -0.657 -11.621 506 HA VAL 66 HA VAL 66 10.975 -2.655 -10.218 507 HB VAL 66 HB VAL 66 11.221 -1.745 -13.087 508 1HG1 VAL 66 1HG1 VAL 66 13.198 -2.790 -12.829 509 2HG1 VAL 66 2HG1 VAL 66 12.225 -4.253 -12.987 510 3HG1 VAL 66 3HG1 VAL 66 12.669 -3.658 -11.387 511 1HG2 VAL 66 1HG2 VAL 66 10.139 -4.417 -12.546 512 2HG2 VAL 66 2HG2 VAL 66 9.651 -3.214 -13.739 513 3HG2 VAL 66 3HG2 VAL 66 9.080 -3.087 -12.075 514 H ASP 67 H ASP 67 12.907 -2.178 -9.382 515 HA ASP 67 HA ASP 67 13.827 0.516 -9.318 516 1HB ASP 67 2HB ASP 67 15.106 -2.056 -8.374 517 2HB ASP 67 1HB ASP 67 15.768 -0.453 -8.067 518 H GLU 68 H GLU 68 15.399 1.515 -10.453 519 HA GLU 68 HA GLU 68 17.113 -0.065 -12.217 520 1HB GLU 68 2HB GLU 68 15.415 2.259 -13.147 521 2HB GLU 68 1HB GLU 68 16.664 1.476 -14.106 522 1HG GLU 68 2HG GLU 68 15.404 -0.633 -13.981 523 2HG GLU 68 1HG GLU 68 14.133 0.204 -13.090 524 H SER 69 H SER 69 17.750 1.222 -9.801 525 HA SER 69 HA SER 69 19.188 3.639 -10.606 526 1HB SER 69 2HB SER 69 17.764 3.581 -8.504 527 2HB SER 69 1HB SER 69 18.979 2.504 -7.817 528 HG SER 69 HG SER 69 20.514 4.243 -8.387 529 H LYS 70 H LYS 70 19.683 0.334 -9.765 530 HA LYS 70 HA LYS 70 22.559 0.699 -9.427 531 1HB LYS 70 2HB LYS 70 20.807 -1.752 -9.184 532 2HB LYS 70 1HB LYS 70 22.548 -1.749 -8.936 533 1HG LYS 70 2HG LYS 70 22.285 -0.192 -7.076 534 2HG LYS 70 1HG LYS 70 20.538 -0.187 -7.327 535 1HD LYS 70 2HD LYS 70 20.969 -1.702 -5.549 536 2HD LYS 70 1HD LYS 70 20.593 -2.681 -6.968 537 1HE LYS 70 2HE LYS 70 22.719 -3.473 -7.157 538 2HE LYS 70 1HE LYS 70 23.440 -2.009 -6.488 539 1HZ LYS 70 1HZ LYS 70 22.156 -2.924 -4.357 540 2HZ LYS 70 2HZ LYS 70 23.751 -3.351 -4.724 541 3HZ LYS 70 3HZ LYS 70 22.485 -4.394 -5.129 542 H LYS 71 H LYS 71 20.244 -0.388 -11.771 543 HA LYS 71 HA LYS 71 20.437 -1.053 -13.936 544 1HB LYS 71 2HB LYS 71 23.239 0.041 -13.632 545 2HB LYS 71 1HB LYS 71 22.491 -0.399 -15.161 546 1HG LYS 71 2HG LYS 71 21.511 1.579 -15.320 547 2HG LYS 71 1HG LYS 71 20.788 1.406 -13.720 548 1HD LYS 71 2HD LYS 71 22.189 3.393 -13.811 549 2HD LYS 71 1HD LYS 71 22.878 2.203 -12.703 550 1HE LYS 71 2HE LYS 71 24.636 1.716 -14.106 551 2HE LYS 71 1HE LYS 71 23.758 2.211 -15.552 552 1HZ LYS 71 1HZ LYS 71 24.373 4.269 -13.569 553 2HZ LYS 71 2HZ LYS 71 24.306 4.380 -15.255 554 3HZ LYS 71 3HZ LYS 71 25.655 3.685 -14.507 555 H ARG 72 H ARG 72 20.779 -3.016 -12.002 556 HA ARG 72 HA ARG 72 23.082 -4.612 -12.433 557 1HB ARG 72 2HB ARG 72 20.360 -5.335 -11.338 558 2HB ARG 72 1HB ARG 72 21.762 -6.395 -11.299 559 1HG ARG 72 2HG ARG 72 22.952 -4.751 -9.920 560 2HG ARG 72 1HG ARG 72 21.519 -3.719 -9.938 561 1HD ARG 72 2HD ARG 72 21.494 -4.925 -7.887 562 2HD ARG 72 1HD ARG 72 20.247 -5.622 -8.921 563 HE ARG 72 HE ARG 72 22.514 -7.125 -9.356 564 1HH1 ARG 72 1HH1 ARG 72 20.488 -6.336 -6.626 565 2HH1 ARG 72 2HH1 ARG 72 20.800 -7.828 -5.804 566 1HH2 ARG 72 1HH2 ARG 72 22.925 -9.088 -8.276 567 2HH2 ARG 72 2HH2 ARG 72 22.185 -9.390 -6.740 568 H LYS 73 H LYS 73 23.491 -6.218 -13.855 569 HA LYS 73 HA LYS 73 21.340 -7.037 -15.682 570 1HB LYS 73 2HB LYS 73 24.147 -6.251 -16.488 571 2HB LYS 73 1HB LYS 73 22.955 -6.971 -17.562 572 1HG LYS 73 2HG LYS 73 21.480 -5.018 -17.147 573 2HG LYS 73 1HG LYS 73 22.787 -4.286 -16.214 574 1HD LYS 73 2HD LYS 73 24.236 -4.425 -18.219 575 2HD LYS 73 1HD LYS 73 22.860 -5.045 -19.135 576 1HE LYS 73 2HE LYS 73 21.838 -2.778 -17.976 577 2HE LYS 73 1HE LYS 73 23.503 -2.312 -18.324 578 1HZ LYS 73 1HZ LYS 73 23.160 -3.020 -20.625 579 2HZ LYS 73 2HZ LYS 73 22.076 -1.798 -20.182 580 3HZ LYS 73 3HZ LYS 73 21.548 -3.402 -20.277 581 H ASP 74 H ASP 74 21.704 -9.089 -16.737 582 HA ASP 74 HA ASP 74 23.523 -10.830 -15.207 583 1HB ASP 74 2HB ASP 74 20.853 -11.491 -16.463 584 2HB ASP 74 1HB ASP 74 21.921 -12.668 -15.708 585 H ASN 75 H ASN 75 24.577 -12.523 -16.327 586 HA ASN 75 HA ASN 75 25.159 -11.852 -19.092 587 1HB ASN 75 2HB ASN 75 26.410 -13.868 -17.220 588 2HB ASN 75 1HB ASN 75 26.971 -13.537 -18.856 589 1HD2 ASN 75 1HD2 ASN 75 28.565 -13.270 -16.585 590 2HD2 ASN 75 2HD2 ASN 75 28.966 -11.602 -16.387 591 H GLU 76 H GLU 76 22.865 -13.698 -17.658 592 HA GLU 76 HA GLU 76 23.019 -15.912 -19.555 593 1HB GLU 76 2HB GLU 76 22.499 -16.232 -17.080 594 2HB GLU 76 1HB GLU 76 20.932 -15.509 -17.417 595 1HG GLU 76 2HG GLU 76 20.511 -17.290 -19.077 596 2HG GLU 76 1HG GLU 76 22.040 -18.037 -18.620 597 H GLY 77 H GLY 77 22.510 -13.361 -20.646 598 1HA GLY 77 2HA GLY 77 21.081 -12.284 -22.083 599 2HA GLY 77 1HA GLY 77 20.402 -13.878 -22.371 600 H ASN 78 H ASN 78 20.370 -12.143 -19.302 601 HA ASN 78 HA ASN 78 17.483 -12.409 -19.207 602 1HB ASN 78 2HB ASN 78 19.262 -12.739 -17.273 603 2HB ASN 78 1HB ASN 78 19.030 -11.005 -17.072 604 1HD2 ASN 78 1HD2 ASN 78 18.369 -13.022 -15.189 605 2HD2 ASN 78 2HD2 ASN 78 16.660 -12.965 -14.943 606 H GLU 79 H GLU 79 16.719 -10.936 -20.714 607 HA GLU 79 HA GLU 79 17.392 -8.112 -20.298 608 1HB GLU 79 2HB GLU 79 17.499 -9.228 -22.601 609 2HB GLU 79 1HB GLU 79 15.741 -9.232 -22.555 610 1HG GLU 79 2HG GLU 79 15.777 -6.780 -22.287 611 2HG GLU 79 1HG GLU 79 17.533 -6.817 -22.435 612 H VAL 80 H VAL 80 15.626 -9.666 -18.521 613 HA VAL 80 HA VAL 80 13.219 -7.994 -18.798 614 HB VAL 80 HB VAL 80 11.876 -9.828 -17.826 615 1HG1 VAL 80 1HG1 VAL 80 11.875 -9.509 -20.226 616 2HG1 VAL 80 2HG1 VAL 80 11.802 -11.231 -19.849 617 3HG1 VAL 80 3HG1 VAL 80 13.321 -10.510 -20.385 618 1HG2 VAL 80 1HG2 VAL 80 14.191 -11.659 -18.387 619 2HG2 VAL 80 2HG2 VAL 80 12.704 -12.002 -17.503 620 3HG2 VAL 80 3HG2 VAL 80 13.927 -10.945 -16.796 621 H VAL 81 H VAL 81 12.089 -7.586 -16.767 622 HA VAL 81 HA VAL 81 13.844 -6.763 -14.722 623 HB VAL 81 HB VAL 81 11.799 -6.281 -13.410 624 1HG1 VAL 81 1HG1 VAL 81 12.633 -4.661 -15.034 625 2HG1 VAL 81 2HG1 VAL 81 10.872 -4.616 -14.938 626 3HG1 VAL 81 3HG1 VAL 81 11.660 -5.418 -16.297 627 1HG2 VAL 81 1HG2 VAL 81 10.659 -8.350 -14.696 628 2HG2 VAL 81 2HG2 VAL 81 10.024 -7.010 -15.650 629 3HG2 VAL 81 3HG2 VAL 81 9.740 -7.067 -13.911 630 HA PRO 82 HA PRO 82 14.429 -10.384 -12.269 631 1HB PRO 82 2HB PRO 82 14.454 -9.215 -9.763 632 2HB PRO 82 1HB PRO 82 15.837 -9.291 -10.857 633 1HG PRO 82 2HG PRO 82 13.934 -7.045 -10.358 634 2HG PRO 82 1HG PRO 82 15.686 -6.996 -10.633 635 1HD PRO 82 2HD PRO 82 13.926 -6.349 -12.562 636 2HD PRO 82 1HD PRO 82 15.459 -7.169 -12.927 637 H LYS 83 H LYS 83 12.444 -8.274 -10.205 638 HA LYS 83 HA LYS 83 10.004 -9.594 -10.556 639 1HB LYS 83 2HB LYS 83 11.890 -10.929 -8.769 640 2HB LYS 83 1HB LYS 83 10.359 -10.560 -7.987 641 1HG LYS 83 2HG LYS 83 10.166 -11.766 -10.666 642 2HG LYS 83 1HG LYS 83 10.824 -12.800 -9.395 643 1HD LYS 83 2HD LYS 83 8.868 -12.511 -8.052 644 2HD LYS 83 1HD LYS 83 8.245 -11.261 -9.132 645 1HE LYS 83 2HE LYS 83 8.789 -14.041 -10.117 646 2HE LYS 83 1HE LYS 83 7.273 -13.640 -9.311 647 1HZ LYS 83 1HZ LYS 83 8.240 -12.860 -11.942 648 2HZ LYS 83 2HZ LYS 83 7.388 -11.680 -11.082 649 3HZ LYS 83 3HZ LYS 83 6.663 -13.171 -11.416 650 HA PRO 84 HA PRO 84 9.649 -5.488 -8.540 651 1HB PRO 84 2HB PRO 84 6.832 -6.131 -9.289 652 2HB PRO 84 1HB PRO 84 7.735 -4.625 -9.494 653 1HG PRO 84 2HG PRO 84 7.292 -6.230 -11.570 654 2HG PRO 84 1HG PRO 84 8.844 -5.392 -11.382 655 1HD PRO 84 2HD PRO 84 8.164 -8.257 -10.909 656 2HD PRO 84 1HD PRO 84 9.667 -7.538 -11.521 657 H GLN 85 H GLN 85 8.821 -4.863 -6.554 658 HA GLN 85 HA GLN 85 7.878 -7.057 -4.867 659 1HB GLN 85 2HB GLN 85 8.489 -5.641 -2.983 660 2HB GLN 85 1HB GLN 85 9.832 -5.765 -4.110 661 1HG GLN 85 2HG GLN 85 9.293 -3.573 -5.016 662 2HG GLN 85 1HG GLN 85 7.922 -3.447 -3.914 663 1HE2 GLN 85 1HE2 GLN 85 9.687 -1.469 -3.832 664 2HE2 GLN 85 2HE2 GLN 85 10.672 -1.556 -2.415 665 H ARG 86 H ARG 86 5.948 -7.057 -3.813 666 HA ARG 86 HA ARG 86 4.189 -4.730 -4.167 667 1HB ARG 86 2HB ARG 86 2.314 -6.184 -4.709 668 2HB ARG 86 1HB ARG 86 3.616 -6.415 -5.868 669 1HG ARG 86 2HG ARG 86 4.317 -8.419 -4.527 670 2HG ARG 86 1HG ARG 86 2.823 -8.231 -3.608 671 1HD ARG 86 2HD ARG 86 1.551 -8.404 -5.723 672 2HD ARG 86 1HD ARG 86 3.064 -8.699 -6.577 673 HE ARG 86 HE ARG 86 2.965 -10.864 -5.880 674 1HH1 ARG 86 1HH1 ARG 86 0.977 -8.943 -3.749 675 2HH1 ARG 86 2HH1 ARG 86 0.386 -10.310 -2.866 676 1HH2 ARG 86 1HH2 ARG 86 2.187 -12.662 -4.720 677 2HH2 ARG 86 2HH2 ARG 86 1.072 -12.421 -3.416 678 H HIS 87 H HIS 87 2.652 -4.407 -2.542 679 HA HIS 87 HA HIS 87 3.188 -5.903 -0.068 680 1HB HIS 87 2HB HIS 87 2.290 -3.084 -0.600 681 2HB HIS 87 1HB HIS 87 1.989 -3.840 0.961 682 HD1 HIS 87 HD1 HIS 87 3.732 -3.296 2.613 683 HD2 HIS 87 HD2 HIS 87 5.260 -3.405 -1.249 684 HE1 HIS 87 HE1 HIS 87 6.168 -2.716 2.839 685 HE2 HIS 87 HE2 HIS 87 7.052 -2.703 0.479 686 H MET 88 H MET 88 1.692 -7.285 0.591 687 HA MET 88 HA MET 88 -1.026 -7.049 -0.483 688 1HB MET 88 2HB MET 88 0.190 -9.196 -0.784 689 2HB MET 88 1HB MET 88 0.260 -9.372 0.964 690 1HG MET 88 2HG MET 88 -2.213 -9.369 1.018 691 2HG MET 88 1HG MET 88 -2.217 -9.325 -0.744 692 1HE MET 88 1HE MET 88 -1.107 -10.902 2.360 693 2HE MET 88 2HE MET 88 0.035 -12.098 1.748 694 3HE MET 88 3HE MET 88 -1.604 -12.585 2.177 695 H PHE 89 H PHE 89 -2.533 -6.163 0.749 696 HA PHE 89 HA PHE 89 -2.188 -6.232 3.672 697 1HB PHE 89 2HB PHE 89 -3.571 -4.244 1.876 698 2HB PHE 89 1HB PHE 89 -3.800 -4.266 3.622 699 HD1 PHE 89 HD1 PHE 89 -1.829 -3.892 5.112 700 HD2 PHE 89 HD2 PHE 89 -1.678 -3.250 0.909 701 HE1 PHE 89 HE1 PHE 89 0.187 -2.508 5.399 702 HE2 PHE 89 HE2 PHE 89 0.337 -1.867 1.187 703 HZ PHE 89 HZ PHE 89 1.273 -1.495 3.434 704 H SER 90 H SER 90 -4.068 -6.492 4.990 705 HA SER 90 HA SER 90 -6.293 -7.871 3.633 706 1HB SER 90 2HB SER 90 -4.757 -8.660 6.092 707 2HB SER 90 1HB SER 90 -6.432 -9.171 5.890 708 HG SER 90 HG SER 90 -5.661 -9.942 3.743 709 H PHE 91 H PHE 91 -8.196 -6.927 3.958 710 HA PHE 91 HA PHE 91 -8.443 -4.978 6.119 711 1HB PHE 91 2HB PHE 91 -9.807 -5.385 3.492 712 2HB PHE 91 1HB PHE 91 -10.656 -4.515 4.769 713 HD1 PHE 91 HD1 PHE 91 -10.079 -2.310 5.343 714 HD2 PHE 91 HD2 PHE 91 -7.655 -4.520 2.636 715 HE1 PHE 91 HE1 PHE 91 -8.859 -0.250 4.756 716 HE2 PHE 91 HE2 PHE 91 -6.433 -2.475 2.042 717 HZ PHE 91 HZ PHE 91 -7.032 -0.330 3.102 718 H ASN 92 H ASN 92 -10.112 -4.981 7.579 719 HA ASN 92 HA ASN 92 -11.465 -7.564 7.908 720 1HB ASN 92 2HB ASN 92 -10.866 -5.351 9.880 721 2HB ASN 92 1HB ASN 92 -11.857 -6.757 10.263 722 1HD2 ASN 92 1HD2 ASN 92 -9.494 -6.055 11.602 723 2HD2 ASN 92 2HD2 ASN 92 -8.326 -7.299 11.324 724 H ASN 93 H ASN 93 -12.148 -4.894 6.340 725 HA ASN 93 HA ASN 93 -14.973 -5.155 6.757 726 1HB ASN 93 2HB ASN 93 -14.013 -3.436 8.472 727 2HB ASN 93 1HB ASN 93 -13.925 -2.367 7.075 728 1HD2 ASN 93 1HD2 ASN 93 -15.563 -1.021 7.092 729 2HD2 ASN 93 2HD2 ASN 93 -17.201 -1.409 7.477 730 H ARG 94 H ARG 94 -16.017 -4.903 4.895 731 HA ARG 94 HA ARG 94 -14.652 -4.421 2.491 732 1HB ARG 94 2HB ARG 94 -17.610 -4.357 3.108 733 2HB ARG 94 1HB ARG 94 -16.941 -4.305 1.483 734 1HG ARG 94 2HG ARG 94 -15.868 -6.499 1.908 735 2HG ARG 94 1HG ARG 94 -16.692 -6.553 3.468 736 1HD ARG 94 2HD ARG 94 -17.987 -6.440 0.746 737 2HD ARG 94 1HD ARG 94 -17.935 -7.831 1.829 738 HE ARG 94 HE ARG 94 -19.717 -5.586 1.975 739 1HH1 ARG 94 1HH1 ARG 94 -18.172 -8.119 3.812 740 2HH1 ARG 94 2HH1 ARG 94 -19.381 -8.129 5.052 741 1HH2 ARG 94 1HH2 ARG 94 -21.307 -5.597 3.605 742 2HH2 ARG 94 2HH2 ARG 94 -21.161 -6.698 4.934 743 H THR 95 H THR 95 -16.650 -2.309 4.516 744 HA THR 95 HA THR 95 -16.744 -0.134 2.773 745 HB THR 95 HB THR 95 -16.720 0.359 5.678 746 HG1 THR 95 HG1 THR 95 -18.695 -0.735 5.950 747 1HG2 THR 95 1HG2 THR 95 -18.767 1.513 5.253 748 2HG2 THR 95 2HG2 THR 95 -18.842 0.845 3.623 749 3HG2 THR 95 3HG2 THR 95 -17.577 1.999 4.045 750 H VAL 96 H VAL 96 -14.550 -0.982 5.373 751 HA VAL 96 HA VAL 96 -12.973 1.364 5.181 752 HB VAL 96 HB VAL 96 -12.237 -1.314 6.366 753 1HG1 VAL 96 1HG1 VAL 96 -10.783 0.452 7.763 754 2HG1 VAL 96 2HG1 VAL 96 -10.833 1.283 6.209 755 3HG1 VAL 96 3HG1 VAL 96 -10.185 -0.354 6.312 756 1HG2 VAL 96 1HG2 VAL 96 -14.203 0.430 7.206 757 2HG2 VAL 96 2HG2 VAL 96 -12.818 0.860 8.208 758 3HG2 VAL 96 3HG2 VAL 96 -13.413 -0.799 8.193 759 H MET 97 H MET 97 -12.890 -1.771 3.684 760 HA MET 97 HA MET 97 -10.293 -1.416 2.516 761 1HB MET 97 2HB MET 97 -10.482 -3.561 1.765 762 2HB MET 97 1HB MET 97 -11.685 -3.617 3.044 763 1HG MET 97 2HG MET 97 -12.958 -4.520 1.436 764 2HG MET 97 1HG MET 97 -13.234 -2.839 0.989 765 1HE MET 97 1HE MET 97 -12.658 -6.142 -0.330 766 2HE MET 97 2HE MET 97 -12.408 -5.706 -2.021 767 3HE MET 97 3HE MET 97 -13.800 -5.071 -1.144 768 H ASP 98 H ASP 98 -13.592 -0.766 1.583 769 HA ASP 98 HA ASP 98 -12.939 -0.257 -1.161 770 1HB ASP 98 2HB ASP 98 -15.170 -1.099 -0.474 771 2HB ASP 98 1HB ASP 98 -15.460 0.428 0.354 772 H ASN 99 H ASN 99 -13.115 1.547 1.774 773 HA ASN 99 HA ASN 99 -13.303 4.122 0.576 774 1HB ASN 99 2HB ASN 99 -12.494 3.230 3.342 775 2HB ASN 99 1HB ASN 99 -12.592 4.922 2.866 776 1HD2 ASN 99 1HD2 ASN 99 -14.089 3.885 4.937 777 2HD2 ASN 99 2HD2 ASN 99 -15.758 3.900 4.494 778 H ILE 100 H ILE 100 -10.732 1.960 1.379 779 HA ILE 100 HA ILE 100 -8.658 3.954 1.038 780 HB ILE 100 HB ILE 100 -8.461 0.964 1.430 781 1HG1 ILE 100 2HG1 ILE 100 -9.429 2.244 3.340 782 2HG1 ILE 100 1HG1 ILE 100 -7.897 1.468 3.724 783 1HG2 ILE 100 1HG2 ILE 100 -6.483 1.644 0.337 784 2HG2 ILE 100 2HG2 ILE 100 -6.079 1.521 2.050 785 3HG2 ILE 100 3HG2 ILE 100 -6.352 3.103 1.319 786 1HD1 ILE 100 1HD1 ILE 100 -8.146 4.358 2.940 787 2HD1 ILE 100 2HD1 ILE 100 -6.733 3.537 3.602 788 3HD1 ILE 100 3HD1 ILE 100 -8.162 3.782 4.607 789 H LYS 101 H LYS 101 -9.930 1.148 -0.703 790 HA LYS 101 HA LYS 101 -8.068 1.026 -2.760 791 1HB LYS 101 2HB LYS 101 -9.560 -0.376 -3.878 792 2HB LYS 101 1HB LYS 101 -10.016 -0.570 -2.193 793 1HG LYS 101 2HG LYS 101 -11.940 0.791 -2.466 794 2HG LYS 101 1HG LYS 101 -11.422 1.316 -4.068 795 1HD LYS 101 2HD LYS 101 -13.142 -0.338 -4.327 796 2HD LYS 101 1HD LYS 101 -11.605 -1.041 -4.836 797 1HE LYS 101 2HE LYS 101 -11.578 -1.768 -2.263 798 2HE LYS 101 1HE LYS 101 -13.322 -1.687 -2.512 799 1HZ LYS 101 1HZ LYS 101 -12.634 -3.057 -4.656 800 2HZ LYS 101 2HZ LYS 101 -12.972 -3.804 -3.177 801 3HZ LYS 101 3HZ LYS 101 -11.367 -3.531 -3.640 802 H MET 102 H MET 102 -10.816 3.161 -2.337 803 HA MET 102 HA MET 102 -10.634 4.227 -5.005 804 1HB MET 102 2HB MET 102 -12.196 5.279 -2.651 805 2HB MET 102 1HB MET 102 -12.424 5.722 -4.337 806 1HG MET 102 2HG MET 102 -12.646 2.852 -3.680 807 2HG MET 102 1HG MET 102 -13.923 3.909 -3.079 808 1HE MET 102 1HE MET 102 -16.086 4.768 -5.638 809 2HE MET 102 2HE MET 102 -14.805 5.964 -5.828 810 3HE MET 102 3HE MET 102 -15.216 5.359 -4.223 811 H THR 103 H THR 103 -9.938 5.404 -1.762 812 HA THR 103 HA THR 103 -9.021 7.945 -2.517 813 HB THR 103 HB THR 103 -9.592 7.006 -0.161 814 HG1 THR 103 HG1 THR 103 -8.483 8.691 0.722 815 1HG2 THR 103 1HG2 THR 103 -7.764 6.361 1.221 816 2HG2 THR 103 2HG2 THR 103 -6.625 6.540 -0.114 817 3HG2 THR 103 3HG2 THR 103 -7.831 5.259 -0.153 818 H LEU 104 H LEU 104 -7.283 4.897 -2.035 819 HA LEU 104 HA LEU 104 -4.704 5.928 -2.531 820 1HB LEU 104 2HB LEU 104 -5.931 3.207 -2.539 821 2HB LEU 104 1HB LEU 104 -4.337 3.411 -3.241 822 HG LEU 104 HG LEU 104 -5.036 4.218 -0.419 823 1HD1 LEU 104 1HD1 LEU 104 -5.128 1.689 -1.129 824 2HD1 LEU 104 2HD1 LEU 104 -4.346 2.185 0.371 825 3HD1 LEU 104 3HD1 LEU 104 -3.373 1.834 -1.057 826 1HD2 LEU 104 1HD2 LEU 104 -3.002 5.142 -1.862 827 2HD2 LEU 104 2HD2 LEU 104 -2.280 3.623 -1.333 828 3HD2 LEU 104 3HD2 LEU 104 -2.854 4.789 -0.141 829 H GLN 105 H GLN 105 -7.289 4.841 -4.615 830 HA GLN 105 HA GLN 105 -5.762 4.574 -6.980 831 1HB GLN 105 2HB GLN 105 -8.514 4.356 -6.216 832 2HB GLN 105 1HB GLN 105 -8.404 5.354 -7.659 833 1HG GLN 105 2HG GLN 105 -6.711 3.201 -8.149 834 2HG GLN 105 1HG GLN 105 -8.126 2.503 -7.362 835 1HE2 GLN 105 1HE2 GLN 105 -7.554 1.855 -9.938 836 2HE2 GLN 105 2HE2 GLN 105 -8.719 2.560 -11.001 837 H GLN 106 H GLN 106 -7.337 7.262 -5.424 838 HA GLN 106 HA GLN 106 -7.205 9.084 -7.573 839 1HB GLN 106 2HB GLN 106 -7.222 9.579 -4.590 840 2HB GLN 106 1HB GLN 106 -7.413 10.836 -5.804 841 1HG GLN 106 2HG GLN 106 -9.453 9.787 -6.599 842 2HG GLN 106 1HG GLN 106 -9.254 8.484 -5.427 843 1HE2 GLN 106 1HE2 GLN 106 -11.550 9.986 -5.520 844 2HE2 GLN 106 2HE2 GLN 106 -11.660 10.962 -4.100 845 H ILE 107 H ILE 107 -4.962 8.308 -4.956 846 HA ILE 107 HA ILE 107 -3.057 10.295 -5.426 847 HB ILE 107 HB ILE 107 -2.640 7.464 -4.449 848 1HG1 ILE 107 2HG1 ILE 107 -2.777 10.004 -2.823 849 2HG1 ILE 107 1HG1 ILE 107 -4.197 9.019 -3.158 850 1HG2 ILE 107 1HG2 ILE 107 -0.709 9.282 -3.423 851 2HG2 ILE 107 2HG2 ILE 107 -0.730 9.421 -5.181 852 3HG2 ILE 107 3HG2 ILE 107 -0.460 7.853 -4.424 853 1HD1 ILE 107 1HD1 ILE 107 -2.302 7.230 -2.195 854 2HD1 ILE 107 2HD1 ILE 107 -3.704 7.867 -1.337 855 3HD1 ILE 107 3HD1 ILE 107 -2.139 8.665 -1.181 856 H ILE 108 H ILE 108 -3.449 7.083 -6.829 857 HA ILE 108 HA ILE 108 -1.174 6.906 -8.407 858 HB ILE 108 HB ILE 108 -3.864 6.028 -9.407 859 1HG1 ILE 108 2HG1 ILE 108 -3.974 5.240 -7.204 860 2HG1 ILE 108 1HG1 ILE 108 -3.366 3.867 -8.121 861 1HG2 ILE 108 1HG2 ILE 108 -2.306 5.518 -11.000 862 2HG2 ILE 108 2HG2 ILE 108 -2.347 4.025 -10.060 863 3HG2 ILE 108 3HG2 ILE 108 -1.039 5.185 -9.820 864 1HD1 ILE 108 1HD1 ILE 108 -2.203 5.235 -5.892 865 2HD1 ILE 108 2HD1 ILE 108 -1.105 5.269 -7.272 866 3HD1 ILE 108 3HD1 ILE 108 -1.711 3.728 -6.665 867 H SER 109 H SER 109 -4.327 8.149 -9.231 868 HA SER 109 HA SER 109 -3.821 9.004 -11.823 869 1HB SER 109 2HB SER 109 -5.691 10.306 -9.835 870 2HB SER 109 1HB SER 109 -5.777 10.448 -11.590 871 HG SER 109 HG SER 109 -6.205 8.221 -11.690 872 H ARG 110 H ARG 110 -3.042 10.511 -8.796 873 HA ARG 110 HA ARG 110 -2.444 13.073 -9.857 874 1HB ARG 110 2HB ARG 110 -1.602 11.764 -7.273 875 2HB ARG 110 1HB ARG 110 -1.293 13.447 -7.672 876 1HG ARG 110 2HG ARG 110 -3.731 13.810 -7.857 877 2HG ARG 110 1HG ARG 110 -3.985 12.143 -7.332 878 1HD ARG 110 2HD ARG 110 -2.679 12.701 -5.263 879 2HD ARG 110 1HD ARG 110 -2.706 14.386 -5.778 880 HE ARG 110 HE ARG 110 -4.862 12.898 -4.611 881 1HH1 ARG 110 1HH1 ARG 110 -4.054 15.596 -6.672 882 2HH1 ARG 110 2HH1 ARG 110 -5.542 16.431 -6.373 883 1HH2 ARG 110 1HH2 ARG 110 -6.820 13.994 -4.217 884 2HH2 ARG 110 2HH2 ARG 110 -7.112 15.522 -4.979 885 H TYR 111 H TYR 111 -0.638 10.144 -9.372 886 HA TYR 111 HA TYR 111 1.931 11.287 -9.821 887 1HB TYR 111 2HB TYR 111 0.853 8.497 -9.715 888 2HB TYR 111 1HB TYR 111 2.469 8.774 -10.356 889 HD1 TYR 111 HD1 TYR 111 4.172 9.924 -8.878 890 HD2 TYR 111 HD2 TYR 111 0.461 8.466 -7.394 891 HE1 TYR 111 HE1 TYR 111 5.074 9.973 -6.590 892 HE2 TYR 111 HE2 TYR 111 1.353 8.511 -5.102 893 HH TYR 111 HH TYR 111 3.559 8.446 -3.983 894 H LYS 112 H LYS 112 -0.591 10.068 -11.847 895 HA LYS 112 HA LYS 112 0.953 9.735 -14.204 896 1HB LYS 112 2HB LYS 112 -2.013 10.130 -13.797 897 2HB LYS 112 1HB LYS 112 -1.277 9.760 -15.350 898 1HG LYS 112 2HG LYS 112 -0.379 7.666 -14.362 899 2HG LYS 112 1HG LYS 112 -1.287 8.026 -12.891 900 1HD LYS 112 2HD LYS 112 -2.925 8.197 -15.290 901 2HD LYS 112 1HD LYS 112 -2.207 6.600 -15.071 902 1HE LYS 112 2HE LYS 112 -3.047 7.127 -12.554 903 2HE LYS 112 1HE LYS 112 -4.266 7.990 -13.491 904 1HZ LYS 112 1HZ LYS 112 -5.008 6.058 -14.468 905 2HZ LYS 112 2HZ LYS 112 -4.628 5.517 -12.912 906 3HZ LYS 112 3HZ LYS 112 -3.566 5.218 -14.193 907 H ASP 113 H ASP 113 -0.947 12.382 -12.853 908 HA ASP 113 HA ASP 113 -0.899 14.107 -15.053 909 1HB ASP 113 2HB ASP 113 -0.969 14.708 -12.091 910 2HB ASP 113 1HB ASP 113 -1.206 15.925 -13.343 911 H ALA 114 H ALA 114 1.468 13.542 -12.509 912 HA ALA 114 HA ALA 114 3.161 15.714 -13.028 913 1HB ALA 114 1HB ALA 114 3.399 14.453 -11.002 914 2HB ALA 114 2HB ALA 114 4.908 14.343 -11.907 915 3HB ALA 114 3HB ALA 114 3.781 12.988 -11.904 916 H ASP 115 H ASP 115 2.848 12.587 -14.569 917 HA ASP 115 HA ASP 115 5.175 13.129 -16.262 918 1HB ASP 115 2HB ASP 115 3.485 10.646 -15.909 919 2HB ASP 115 1HB ASP 115 4.810 10.781 -17.062 Start of MODEL 8 1 HT1 PRO 1 HT2 PRO 1 -14.021 8.924 6.755 2 HT2 PRO 1 HT1 PRO 1 -13.737 9.918 5.400 3 HA PRO 1 HA PRO 1 -14.857 7.389 5.539 4 1HB PRO 1 2HB PRO 1 -16.764 8.530 3.863 5 2HB PRO 1 1HB PRO 1 -17.047 7.927 5.500 6 1HG PRO 1 2HG PRO 1 -16.597 10.718 4.561 7 2HG PRO 1 1HG PRO 1 -17.614 10.128 5.886 8 1HD PRO 1 2HD PRO 1 -15.219 11.337 6.307 9 2HD PRO 1 1HD PRO 1 -15.848 10.072 7.381 10 H SER 2 H SER 2 -12.514 8.573 4.578 11 HA SER 2 HA SER 2 -12.510 7.643 1.887 12 1HB SER 2 2HB SER 2 -13.492 9.913 1.569 13 2HB SER 2 1HB SER 2 -12.029 10.606 2.268 14 HG SER 2 HG SER 2 -10.918 9.377 0.532 15 H HIS 3 H HIS 3 -10.844 9.623 4.305 16 HA HIS 3 HA HIS 3 -8.302 8.397 3.462 17 1HB HIS 3 2HB HIS 3 -8.883 11.042 4.796 18 2HB HIS 3 1HB HIS 3 -7.264 10.354 4.716 19 HD1 HIS 3 HD1 HIS 3 -10.044 11.254 2.273 20 HD2 HIS 3 HD2 HIS 3 -5.899 11.159 2.529 21 HE1 HIS 3 HE1 HIS 3 -9.215 12.216 0.103 22 HE2 HIS 3 HE2 HIS 3 -6.705 12.071 0.246 23 H SER 4 H SER 4 -6.867 7.631 5.044 24 HA SER 4 HA SER 4 -6.277 6.517 6.931 25 1HB SER 4 2HB SER 4 -6.649 7.555 8.993 26 2HB SER 4 1HB SER 4 -6.777 8.892 7.851 27 HG SER 4 HG SER 4 -8.890 9.007 8.186 28 H GLY 5 H GLY 5 -6.841 4.493 7.260 29 1HA GLY 5 2HA GLY 5 -9.429 3.817 8.351 30 2HA GLY 5 1HA GLY 5 -9.175 3.241 6.709 31 H ALA 6 H ALA 6 -9.512 1.742 9.240 32 HA ALA 6 HA ALA 6 -7.038 0.675 10.056 33 1HB ALA 6 1HB ALA 6 -9.004 0.443 11.439 34 2HB ALA 6 2HB ALA 6 -8.346 -1.146 11.044 35 3HB ALA 6 3HB ALA 6 -9.782 -0.553 10.207 36 H ALA 7 H ALA 7 -5.865 -1.041 9.392 37 HA ALA 7 HA ALA 7 -6.851 -2.863 7.397 38 1HB ALA 7 1HB ALA 7 -6.216 -1.012 5.979 39 2HB ALA 7 2HB ALA 7 -5.098 -2.356 5.745 40 3HB ALA 7 3HB ALA 7 -4.616 -0.967 6.720 41 H ILE 8 H ILE 8 -5.612 -4.746 7.176 42 HA ILE 8 HA ILE 8 -3.643 -5.147 9.306 43 HB ILE 8 HB ILE 8 -4.852 -7.203 7.466 44 1HG1 ILE 8 2HG1 ILE 8 -5.681 -6.690 10.311 45 2HG1 ILE 8 1HG1 ILE 8 -6.494 -5.930 8.940 46 1HG2 ILE 8 1HG2 ILE 8 -2.644 -7.554 8.878 47 2HG2 ILE 8 2HG2 ILE 8 -3.843 -8.830 8.698 48 3HG2 ILE 8 3HG2 ILE 8 -3.809 -7.855 10.166 49 1HD1 ILE 8 1HD1 ILE 8 -6.106 -8.876 8.971 50 2HD1 ILE 8 2HD1 ILE 8 -7.355 -7.903 8.184 51 3HD1 ILE 8 3HD1 ILE 8 -7.398 -8.150 9.932 52 H PHE 9 H PHE 9 -1.586 -5.835 8.948 53 HA PHE 9 HA PHE 9 -0.696 -6.334 6.223 54 1HB PHE 9 2HB PHE 9 -0.374 -3.923 6.505 55 2HB PHE 9 1HB PHE 9 0.549 -4.208 7.973 56 HD1 PHE 9 HD1 PHE 9 0.582 -5.566 4.498 57 HD2 PHE 9 HD2 PHE 9 2.788 -3.865 7.711 58 HE1 PHE 9 HE1 PHE 9 2.642 -5.724 3.159 59 HE2 PHE 9 HE2 PHE 9 4.855 -4.018 6.381 60 HZ PHE 9 HZ PHE 9 4.783 -4.949 4.101 61 H GLU 10 H GLU 10 0.066 -8.317 6.486 62 HA GLU 10 HA GLU 10 1.540 -9.956 7.050 63 1HB GLU 10 2HB GLU 10 2.685 -8.072 9.107 64 2HB GLU 10 1HB GLU 10 3.429 -9.530 8.472 65 1HG GLU 10 2HG GLU 10 3.523 -8.468 6.246 66 2HG GLU 10 1HG GLU 10 2.879 -6.988 6.959 67 H LYS 11 H LYS 11 -0.959 -10.118 7.997 68 HA LYS 11 HA LYS 11 -2.257 -11.181 9.488 69 1HB LYS 11 2HB LYS 11 0.474 -12.115 10.162 70 2HB LYS 11 1HB LYS 11 -0.850 -12.561 11.232 71 1HG LYS 11 2HG LYS 11 -1.940 -13.772 9.554 72 2HG LYS 11 1HG LYS 11 -0.995 -13.003 8.274 73 1HD LYS 11 2HD LYS 11 0.115 -14.881 10.363 74 2HD LYS 11 1HD LYS 11 -0.304 -15.339 8.710 75 1HE LYS 11 2HE LYS 11 1.862 -14.887 8.299 76 2HE LYS 11 1HE LYS 11 1.302 -13.216 8.244 77 1HZ LYS 11 1HZ LYS 11 2.910 -14.569 10.250 78 2HZ LYS 11 2HZ LYS 11 1.747 -13.496 10.848 79 3HZ LYS 11 3HZ LYS 11 2.922 -12.948 9.762 80 H VAL 12 H VAL 12 -0.845 -8.451 10.202 81 HA VAL 12 HA VAL 12 -1.803 -8.463 12.958 82 HB VAL 12 HB VAL 12 0.491 -6.833 11.870 83 1HG1 VAL 12 1HG1 VAL 12 -0.581 -6.928 14.684 84 2HG1 VAL 12 2HG1 VAL 12 -0.906 -5.633 13.532 85 3HG1 VAL 12 3HG1 VAL 12 0.743 -5.929 14.085 86 1HG2 VAL 12 1HG2 VAL 12 0.391 -9.173 13.753 87 2HG2 VAL 12 2HG2 VAL 12 1.789 -8.107 13.612 88 3HG2 VAL 12 3HG2 VAL 12 1.253 -9.049 12.219 89 H SER 13 H SER 13 -3.225 -6.838 13.485 90 HA SER 13 HA SER 13 -4.083 -5.186 11.221 91 1HB SER 13 2HB SER 13 -5.763 -6.668 12.307 92 2HB SER 13 1HB SER 13 -5.555 -5.760 13.803 93 HG SER 13 HG SER 13 -7.288 -5.195 12.074 94 H GLY 14 H GLY 14 -4.342 -3.032 11.322 95 1HA GLY 14 2HA GLY 14 -3.936 -1.511 13.719 96 2HA GLY 14 1HA GLY 14 -2.552 -1.451 12.632 97 H ILE 15 H ILE 15 -3.506 0.926 12.967 98 HA ILE 15 HA ILE 15 -5.626 1.445 11.042 99 HB ILE 15 HB ILE 15 -4.181 3.287 12.939 100 1HG1 ILE 15 2HG1 ILE 15 -6.363 1.482 13.230 101 2HG1 ILE 15 1HG1 ILE 15 -5.710 2.600 14.424 102 1HG2 ILE 15 1HG2 ILE 15 -5.851 4.986 12.284 103 2HG2 ILE 15 2HG2 ILE 15 -6.429 3.901 11.019 104 3HG2 ILE 15 3HG2 ILE 15 -4.785 4.537 10.952 105 1HD1 ILE 15 1HD1 ILE 15 -7.214 4.354 13.481 106 2HD1 ILE 15 2HD1 ILE 15 -8.046 2.991 14.231 107 3HD1 ILE 15 3HD1 ILE 15 -7.942 3.100 12.474 108 H ILE 16 H ILE 16 -5.311 2.091 9.056 109 HA ILE 16 HA ILE 16 -2.591 2.746 8.190 110 HB ILE 16 HB ILE 16 -4.848 1.295 7.018 111 1HG1 ILE 16 2HG1 ILE 16 -1.875 1.444 6.507 112 2HG1 ILE 16 1HG1 ILE 16 -2.763 0.205 7.381 113 1HG2 ILE 16 1HG2 ILE 16 -3.463 3.391 5.347 114 2HG2 ILE 16 2HG2 ILE 16 -5.195 3.170 5.599 115 3HG2 ILE 16 3HG2 ILE 16 -4.286 1.992 4.654 116 1HD1 ILE 16 1HD1 ILE 16 -2.960 -0.977 5.530 117 2HD1 ILE 16 2HD1 ILE 16 -2.049 0.253 4.656 118 3HD1 ILE 16 3HD1 ILE 16 -3.808 0.354 4.746 119 H ALA 17 H ALA 17 -2.128 4.829 7.939 120 HA ALA 17 HA ALA 17 -4.312 6.695 7.296 121 1HB ALA 17 1HB ALA 17 -2.865 8.450 8.255 122 2HB ALA 17 2HB ALA 17 -1.677 7.213 8.669 123 3HB ALA 17 3HB ALA 17 -3.273 7.190 9.419 124 H ILE 18 H ILE 18 -4.108 8.130 5.615 125 HA ILE 18 HA ILE 18 -1.878 7.605 3.780 126 HB ILE 18 HB ILE 18 -4.762 8.076 3.399 127 1HG1 ILE 18 2HG1 ILE 18 -2.761 6.826 1.526 128 2HG1 ILE 18 1HG1 ILE 18 -3.410 5.970 2.922 129 1HG2 ILE 18 1HG2 ILE 18 -2.728 9.459 1.690 130 2HG2 ILE 18 2HG2 ILE 18 -4.211 10.101 2.398 131 3HG2 ILE 18 3HG2 ILE 18 -4.296 8.968 1.049 132 1HD1 ILE 18 1HD1 ILE 18 -5.711 6.590 1.912 133 2HD1 ILE 18 2HD1 ILE 18 -4.780 5.262 1.217 134 3HD1 ILE 18 3HD1 ILE 18 -4.792 6.839 0.427 135 H ASN 19 H ASN 19 -0.344 9.103 4.004 136 HA ASN 19 HA ASN 19 -1.154 11.900 4.425 137 1HB ASN 19 2HB ASN 19 1.467 10.510 5.016 138 2HB ASN 19 1HB ASN 19 1.193 12.239 5.210 139 1HD2 ASN 19 1HD2 ASN 19 2.004 10.600 7.290 140 2HD2 ASN 19 2HD2 ASN 19 0.738 10.511 8.461 141 H GLU 20 H GLU 20 -1.250 12.966 2.560 142 HA GLU 20 HA GLU 20 0.556 12.258 0.386 143 1HB GLU 20 2HB GLU 20 -1.785 14.171 0.479 144 2HB GLU 20 1HB GLU 20 -0.839 13.815 -0.959 145 1HG GLU 20 2HG GLU 20 -1.517 11.455 -0.789 146 2HG GLU 20 1HG GLU 20 -2.516 11.865 0.604 147 H ASP 21 H ASP 21 0.351 14.535 2.901 148 HA ASP 21 HA ASP 21 1.433 16.836 1.803 149 1HB ASP 21 2HB ASP 21 0.599 16.593 4.146 150 2HB ASP 21 1HB ASP 21 2.073 15.713 4.537 151 H VAL 22 H VAL 22 2.898 13.777 2.362 152 HA VAL 22 HA VAL 22 5.599 14.729 2.246 153 HB VAL 22 HB VAL 22 4.917 11.891 1.805 154 1HG1 VAL 22 1HG1 VAL 22 7.166 11.974 1.856 155 2HG1 VAL 22 2HG1 VAL 22 6.913 11.927 3.600 156 3HG1 VAL 22 3HG1 VAL 22 7.190 13.470 2.791 157 1HG2 VAL 22 1HG2 VAL 22 5.081 11.894 4.481 158 2HG2 VAL 22 2HG2 VAL 22 3.551 11.960 3.607 159 3HG2 VAL 22 3HG2 VAL 22 4.278 13.443 4.226 160 H SER 23 H SER 23 7.107 14.191 0.576 161 HA SER 23 HA SER 23 5.915 13.479 -2.004 162 1HB SER 23 2HB SER 23 7.699 15.316 -2.840 163 2HB SER 23 1HB SER 23 6.011 15.697 -2.505 164 HG SER 23 HG SER 23 6.948 17.125 -1.241 165 HA PRO 24 HA PRO 24 6.029 11.992 -3.290 166 1HB PRO 24 2HB PRO 24 6.229 9.293 -3.268 167 2HB PRO 24 1HB PRO 24 7.038 10.299 -4.475 168 1HG PRO 24 2HG PRO 24 8.152 9.064 -1.985 169 2HG PRO 24 1HG PRO 24 8.862 9.142 -3.609 170 1HD PRO 24 2HD PRO 24 9.587 10.829 -1.618 171 2HD PRO 24 1HD PRO 24 9.585 11.310 -3.326 172 H ALA 25 H ALA 25 4.049 11.353 -2.496 173 HA ALA 25 HA ALA 25 3.580 11.428 0.238 174 1HB ALA 25 1HB ALA 25 1.761 11.908 -1.166 175 2HB ALA 25 2HB ALA 25 1.333 10.386 -0.383 176 3HB ALA 25 3HB ALA 25 1.925 10.387 -2.044 177 H GLU 26 H GLU 26 2.453 9.643 1.512 178 HA GLU 26 HA GLU 26 3.252 6.939 0.886 179 1HB GLU 26 2HB GLU 26 4.452 8.358 3.269 180 2HB GLU 26 1HB GLU 26 4.566 6.632 2.961 181 1HG GLU 26 2HG GLU 26 5.742 7.144 0.838 182 2HG GLU 26 1HG GLU 26 5.728 8.847 1.292 183 H LEU 27 H LEU 27 2.339 5.363 2.292 184 HA LEU 27 HA LEU 27 0.069 6.386 3.863 185 1HB LEU 27 2HB LEU 27 -0.561 5.039 1.914 186 2HB LEU 27 1HB LEU 27 0.422 3.713 2.503 187 HG LEU 27 HG LEU 27 -1.815 4.773 4.187 188 1HD1 LEU 27 1HD1 LEU 27 -2.096 2.715 2.001 189 2HD1 LEU 27 2HD1 LEU 27 -2.767 4.347 1.965 190 3HD1 LEU 27 3HD1 LEU 27 -3.336 3.185 3.164 191 1HD2 LEU 27 1HD2 LEU 27 -1.813 2.214 4.680 192 2HD2 LEU 27 2HD2 LEU 27 -0.587 3.253 5.405 193 3HD2 LEU 27 3HD2 LEU 27 -0.191 2.276 3.990 194 H THR 28 H THR 28 0.312 6.232 6.004 195 HA THR 28 HA THR 28 2.342 4.546 7.131 196 HB THR 28 HB THR 28 0.588 6.037 8.923 197 HG1 THR 28 HG1 THR 28 0.371 7.612 7.518 198 1HG2 THR 28 1HG2 THR 28 2.646 6.974 9.727 199 2HG2 THR 28 2HG2 THR 28 3.510 6.308 8.343 200 3HG2 THR 28 3HG2 THR 28 2.817 5.228 9.551 201 H TRP 29 H TRP 29 2.001 2.951 8.666 202 HA TRP 29 HA TRP 29 -0.746 2.048 9.112 203 1HB TRP 29 2HB TRP 29 0.215 0.613 7.371 204 2HB TRP 29 1HB TRP 29 1.606 0.278 8.401 205 HD1 TRP 29 HD1 TRP 29 -2.200 0.095 9.072 206 HE1 TRP 29 HE1 TRP 29 -2.727 -2.212 10.108 207 HE3 TRP 29 HE3 TRP 29 2.507 -1.898 9.054 208 HZ2 TRP 29 HZ2 TRP 29 -1.326 -4.534 10.819 209 HZ3 TRP 29 HZ3 TRP 29 2.824 -4.176 9.938 210 HH2 TRP 29 HH2 TRP 29 0.934 -5.473 10.799 211 H ARG 30 H ARG 30 -1.040 2.303 11.233 212 HA ARG 30 HA ARG 30 1.197 1.668 13.038 213 1HB ARG 30 2HB ARG 30 -1.277 3.361 13.393 214 2HB ARG 30 1HB ARG 30 -0.294 2.852 14.758 215 1HG ARG 30 2HG ARG 30 1.643 3.983 13.780 216 2HG ARG 30 1HG ARG 30 0.644 4.508 12.423 217 1HD ARG 30 2HD ARG 30 0.268 5.241 15.324 218 2HD ARG 30 1HD ARG 30 0.864 6.298 14.045 219 HE ARG 30 HE ARG 30 -1.871 5.602 14.589 220 1HH1 ARG 30 1HH1 ARG 30 0.370 6.696 12.148 221 2HH1 ARG 30 2HH1 ARG 30 -0.855 7.448 11.183 222 1HH2 ARG 30 1HH2 ARG 30 -3.483 6.591 13.320 223 2HH2 ARG 30 2HH2 ARG 30 -3.042 7.389 11.848 224 H SER 31 H SER 31 1.095 -0.128 14.275 225 HA SER 31 HA SER 31 -0.927 -2.028 13.924 226 1HB SER 31 2HB SER 31 1.122 -2.927 14.589 227 2HB SER 31 1HB SER 31 1.338 -1.737 15.874 228 HG SER 31 HG SER 31 0.608 -3.303 17.082 229 H THR 32 H THR 32 -2.337 -2.934 15.583 230 HA THR 32 HA THR 32 -4.070 -1.049 16.676 231 HB THR 32 HB THR 32 -3.659 -3.976 16.783 232 HG1 THR 32 HG1 THR 32 -5.037 -2.813 15.270 233 1HG2 THR 32 1HG2 THR 32 -4.069 -3.665 19.090 234 2HG2 THR 32 2HG2 THR 32 -5.540 -4.283 18.341 235 3HG2 THR 32 3HG2 THR 32 -5.415 -2.575 18.763 236 H ASP 33 H ASP 33 -1.310 -2.716 17.930 237 HA ASP 33 HA ASP 33 -1.723 -2.062 20.666 238 1HB ASP 33 2HB ASP 33 0.754 -2.960 19.193 239 2HB ASP 33 1HB ASP 33 0.654 -2.784 20.942 240 H GLY 34 H GLY 34 -0.100 -0.548 17.997 241 1HA GLY 34 2HA GLY 34 0.461 1.698 17.777 242 2HA GLY 34 1HA GLY 34 0.093 1.930 19.480 243 H ASP 35 H ASP 35 2.185 -0.639 18.491 244 HA ASP 35 HA ASP 35 4.458 0.830 19.631 245 1HB ASP 35 2HB ASP 35 3.744 -1.176 20.905 246 2HB ASP 35 1HB ASP 35 4.063 -2.164 19.482 247 H LYS 36 H LYS 36 3.257 -0.759 16.840 248 HA LYS 36 HA LYS 36 5.886 -0.461 15.549 249 1HB LYS 36 2HB LYS 36 4.094 -2.757 15.658 250 2HB LYS 36 1HB LYS 36 4.493 -2.301 14.007 251 1HG LYS 36 2HG LYS 36 6.128 -3.850 14.572 252 2HG LYS 36 1HG LYS 36 6.929 -2.294 14.801 253 1HD LYS 36 2HD LYS 36 6.525 -2.413 17.194 254 2HD LYS 36 1HD LYS 36 5.644 -3.926 16.990 255 1HE LYS 36 2HE LYS 36 7.983 -4.534 15.771 256 2HE LYS 36 1HE LYS 36 8.540 -3.403 17.002 257 1HZ LYS 36 1HZ LYS 36 7.303 -6.039 17.326 258 2HZ LYS 36 2HZ LYS 36 7.034 -4.877 18.525 259 3HZ LYS 36 3HZ LYS 36 8.612 -5.356 18.149 260 H VAL 37 H VAL 37 5.937 0.908 13.899 261 HA VAL 37 HA VAL 37 3.401 1.562 12.545 262 HB VAL 37 HB VAL 37 5.640 3.510 13.105 263 1HG1 VAL 37 1HG1 VAL 37 4.567 5.013 11.834 264 2HG1 VAL 37 2HG1 VAL 37 2.979 4.512 12.414 265 3HG1 VAL 37 3HG1 VAL 37 3.769 3.610 11.122 266 1HG2 VAL 37 1HG2 VAL 37 4.779 3.441 15.192 267 2HG2 VAL 37 2HG2 VAL 37 3.249 2.750 14.653 268 3HG2 VAL 37 3HG2 VAL 37 3.544 4.480 14.484 269 H HIS 38 H HIS 38 3.433 1.072 10.469 270 HA HIS 38 HA HIS 38 6.034 0.933 9.091 271 1HB HIS 38 2HB HIS 38 4.777 -1.187 9.170 272 2HB HIS 38 1HB HIS 38 3.446 -0.408 8.329 273 HD1 HIS 38 HD1 HIS 38 6.252 -2.485 7.677 274 HD2 HIS 38 HD2 HIS 38 4.438 0.680 5.688 275 HE1 HIS 38 HE1 HIS 38 7.012 -2.668 5.286 276 HE2 HIS 38 HE2 HIS 38 5.975 -0.689 4.123 277 H THR 39 H THR 39 6.344 1.927 7.177 278 HA THR 39 HA THR 39 4.237 3.803 6.320 279 HB THR 39 HB THR 39 7.199 4.197 5.913 280 HG1 THR 39 HG1 THR 39 5.541 5.056 8.037 281 1HG2 THR 39 1HG2 THR 39 5.843 5.556 4.455 282 2HG2 THR 39 2HG2 THR 39 6.590 6.560 5.698 283 3HG2 THR 39 3HG2 THR 39 4.886 6.117 5.826 284 H VAL 40 H VAL 40 3.571 3.728 4.261 285 HA VAL 40 HA VAL 40 4.987 1.896 2.440 286 HB VAL 40 HB VAL 40 2.099 2.752 2.257 287 1HG1 VAL 40 1HG1 VAL 40 1.847 1.122 0.598 288 2HG1 VAL 40 2HG1 VAL 40 3.377 0.344 1.003 289 3HG1 VAL 40 3HG1 VAL 40 3.372 1.916 0.205 290 1HG2 VAL 40 1HG2 VAL 40 1.442 0.764 3.328 291 2HG2 VAL 40 2HG2 VAL 40 2.719 1.435 4.341 292 3HG2 VAL 40 3HG2 VAL 40 3.069 0.090 3.255 293 H VAL 41 H VAL 41 5.548 2.551 0.412 294 HA VAL 41 HA VAL 41 5.394 5.420 -0.105 295 HB VAL 41 HB VAL 41 6.916 3.338 -1.674 296 1HG1 VAL 41 1HG1 VAL 41 7.040 5.099 -3.075 297 2HG1 VAL 41 2HG1 VAL 41 8.275 5.659 -1.948 298 3HG1 VAL 41 3HG1 VAL 41 6.622 6.262 -1.818 299 1HG2 VAL 41 1HG2 VAL 41 7.568 4.755 0.853 300 2HG2 VAL 41 2HG2 VAL 41 8.858 4.538 -0.330 301 3HG2 VAL 41 3HG2 VAL 41 8.009 3.133 0.317 302 H LEU 42 H LEU 42 3.924 6.236 -1.428 303 HA LEU 42 HA LEU 42 2.311 4.474 -3.066 304 1HB LEU 42 2HB LEU 42 2.074 7.464 -2.843 305 2HB LEU 42 1HB LEU 42 0.844 6.325 -3.357 306 HG LEU 42 HG LEU 42 1.926 6.677 -0.562 307 1HD1 LEU 42 1HD1 LEU 42 -0.307 7.788 -2.014 308 2HD1 LEU 42 2HD1 LEU 42 0.316 8.197 -0.416 309 3HD1 LEU 42 3HD1 LEU 42 -0.847 6.885 -0.597 310 1HD2 LEU 42 1HD2 LEU 42 0.485 4.450 -1.827 311 2HD2 LEU 42 2HD2 LEU 42 -0.207 5.024 -0.311 312 3HD2 LEU 42 3HD2 LEU 42 1.471 4.482 -0.366 313 H SER 43 H SER 43 5.110 6.313 -3.506 314 HA SER 43 HA SER 43 4.636 7.046 -6.248 315 1HB SER 43 2HB SER 43 6.115 8.503 -5.141 316 2HB SER 43 1HB SER 43 7.024 7.176 -4.418 317 HG SER 43 HG SER 43 8.284 7.788 -6.065 318 H THR 44 H THR 44 5.913 4.328 -4.528 319 HA THR 44 HA THR 44 7.104 3.206 -6.937 320 HB THR 44 HB THR 44 8.329 3.028 -4.803 321 HG1 THR 44 HG1 THR 44 7.433 0.521 -5.776 322 1HG2 THR 44 1HG2 THR 44 7.609 1.949 -2.938 323 2HG2 THR 44 2HG2 THR 44 6.475 0.932 -3.826 324 3HG2 THR 44 3HG2 THR 44 6.080 2.620 -3.505 325 H ILE 45 H ILE 45 4.103 3.544 -6.274 326 HA ILE 45 HA ILE 45 3.267 0.744 -6.517 327 HB ILE 45 HB ILE 45 1.510 3.163 -6.109 328 1HG1 ILE 45 2HG1 ILE 45 3.003 2.986 -4.210 329 2HG1 ILE 45 1HG1 ILE 45 1.404 2.424 -3.732 330 1HG2 ILE 45 1HG2 ILE 45 0.830 0.335 -5.407 331 2HG2 ILE 45 2HG2 ILE 45 0.622 0.928 -7.055 332 3HG2 ILE 45 3HG2 ILE 45 -0.244 1.696 -5.724 333 1HD1 ILE 45 1HD1 ILE 45 3.901 0.852 -4.177 334 2HD1 ILE 45 2HD1 ILE 45 2.320 0.079 -4.282 335 3HD1 ILE 45 3HD1 ILE 45 2.818 0.866 -2.785 336 H ASP 46 H ASP 46 3.695 0.309 -8.659 337 HA ASP 46 HA ASP 46 3.129 1.978 -10.830 338 1HB ASP 46 2HB ASP 46 4.562 -0.086 -10.879 339 2HB ASP 46 1HB ASP 46 3.085 -1.045 -10.852 340 H LYS 47 H LYS 47 1.114 -0.223 -9.008 341 HA LYS 47 HA LYS 47 -1.265 0.949 -10.095 342 1HB LYS 47 2HB LYS 47 -0.488 -1.859 -10.853 343 2HB LYS 47 1HB LYS 47 -2.171 -1.352 -10.808 344 1HG LYS 47 2HG LYS 47 -1.458 0.533 -12.378 345 2HG LYS 47 1HG LYS 47 0.026 -0.395 -12.607 346 1HD LYS 47 2HD LYS 47 -2.744 -1.504 -13.038 347 2HD LYS 47 1HD LYS 47 -1.743 -0.826 -14.322 348 1HE LYS 47 2HE LYS 47 0.024 -2.501 -13.669 349 2HE LYS 47 1HE LYS 47 -1.186 -3.256 -12.632 350 1HZ LYS 47 1HZ LYS 47 -2.454 -3.898 -14.448 351 2HZ LYS 47 2HZ LYS 47 -0.872 -4.165 -14.983 352 3HZ LYS 47 3HZ LYS 47 -1.718 -2.795 -15.499 353 H LEU 48 H LEU 48 -3.253 -0.208 -9.191 354 HA LEU 48 HA LEU 48 -2.644 -1.275 -6.514 355 1HB LEU 48 2HB LEU 48 -4.581 -0.108 -5.640 356 2HB LEU 48 1HB LEU 48 -3.462 1.027 -6.370 357 HG LEU 48 HG LEU 48 -5.457 0.157 -8.285 358 1HD1 LEU 48 1HD1 LEU 48 -6.532 1.646 -5.904 359 2HD1 LEU 48 2HD1 LEU 48 -6.752 -0.088 -6.143 360 3HD1 LEU 48 3HD1 LEU 48 -7.418 1.054 -7.310 361 1HD2 LEU 48 1HD2 LEU 48 -3.874 2.218 -8.176 362 2HD2 LEU 48 2HD2 LEU 48 -5.164 2.926 -7.204 363 3HD2 LEU 48 3HD2 LEU 48 -5.493 2.393 -8.852 364 H GLN 49 H GLN 49 -3.670 -3.103 -5.930 365 HA GLN 49 HA GLN 49 -5.828 -4.080 -7.682 366 1HB GLN 49 2HB GLN 49 -3.415 -5.492 -6.605 367 2HB GLN 49 1HB GLN 49 -4.884 -6.404 -6.927 368 1HG GLN 49 2HG GLN 49 -3.371 -6.521 -8.810 369 2HG GLN 49 1HG GLN 49 -4.843 -5.657 -9.250 370 1HE2 GLN 49 1HE2 GLN 49 -3.876 -4.584 -10.952 371 2HE2 GLN 49 2HE2 GLN 49 -2.725 -3.316 -10.721 372 H ALA 50 H ALA 50 -7.459 -5.339 -6.707 373 HA ALA 50 HA ALA 50 -7.472 -5.474 -3.784 374 1HB ALA 50 1HB ALA 50 -9.913 -4.452 -5.180 375 2HB ALA 50 2HB ALA 50 -8.617 -3.348 -4.720 376 3HB ALA 50 3HB ALA 50 -9.445 -4.299 -3.487 377 H THR 51 H THR 51 -9.197 -6.863 -2.940 378 HA THR 51 HA THR 51 -9.388 -9.278 -4.434 379 HB THR 51 HB THR 51 -10.961 -9.925 -2.503 380 HG1 THR 51 HG1 THR 51 -11.619 -8.099 -1.602 381 1HG2 THR 51 1HG2 THR 51 -8.721 -10.676 -2.375 382 2HG2 THR 51 2HG2 THR 51 -9.118 -9.953 -0.816 383 3HG2 THR 51 3HG2 THR 51 -8.134 -9.061 -1.977 384 HA PRO 52 HA PRO 52 -13.136 -8.671 -6.675 385 1HB PRO 52 2HB PRO 52 -14.141 -11.202 -6.704 386 2HB PRO 52 1HB PRO 52 -12.767 -10.693 -7.693 387 1HG PRO 52 2HG PRO 52 -12.783 -12.163 -5.085 388 2HG PRO 52 1HG PRO 52 -11.800 -12.459 -6.530 389 1HD PRO 52 2HD PRO 52 -10.833 -11.157 -4.371 390 2HD PRO 52 1HD PRO 52 -10.318 -10.762 -6.024 391 H ALA 53 H ALA 53 -15.398 -8.538 -6.462 392 HA ALA 53 HA ALA 53 -16.344 -8.114 -3.833 393 1HB ALA 53 1HB ALA 53 -18.625 -8.170 -5.255 394 2HB ALA 53 2HB ALA 53 -17.458 -7.936 -6.557 395 3HB ALA 53 3HB ALA 53 -17.530 -6.788 -5.220 396 H SER 54 H SER 54 -16.086 -10.954 -5.688 397 HA SER 54 HA SER 54 -18.279 -12.315 -4.350 398 1HB SER 54 2HB SER 54 -17.643 -12.683 -6.793 399 2HB SER 54 1HB SER 54 -16.240 -13.564 -6.189 400 HG SER 54 HG SER 54 -18.879 -14.188 -5.389 401 H SER 55 H SER 55 -15.236 -11.491 -3.461 402 HA SER 55 HA SER 55 -14.756 -13.982 -1.982 403 1HB SER 55 2HB SER 55 -12.936 -11.763 -2.885 404 2HB SER 55 1HB SER 55 -12.463 -12.849 -1.577 405 HG SER 55 HG SER 55 -13.347 -13.800 -4.090 406 H GLU 56 H GLU 56 -15.548 -13.960 -0.000 407 HA GLU 56 HA GLU 56 -16.405 -11.714 1.403 408 1HB GLU 56 2HB GLU 56 -17.082 -14.054 1.896 409 2HB GLU 56 1HB GLU 56 -15.486 -14.345 2.575 410 1HG GLU 56 2HG GLU 56 -16.966 -13.952 4.381 411 2HG GLU 56 1HG GLU 56 -15.943 -12.523 4.221 412 H LYS 57 H LYS 57 -13.245 -12.927 0.923 413 HA LYS 57 HA LYS 57 -12.141 -11.566 3.248 414 1HB LYS 57 2HB LYS 57 -10.815 -13.151 1.043 415 2HB LYS 57 1HB LYS 57 -9.969 -12.454 2.418 416 1HG LYS 57 2HG LYS 57 -11.470 -13.833 3.896 417 2HG LYS 57 1HG LYS 57 -12.015 -14.655 2.433 418 1HD LYS 57 2HD LYS 57 -9.133 -14.464 3.304 419 2HD LYS 57 1HD LYS 57 -10.185 -15.839 3.648 420 1HE LYS 57 2HE LYS 57 -10.104 -15.005 0.831 421 2HE LYS 57 1HE LYS 57 -8.583 -15.628 1.465 422 1HZ LYS 57 1HZ LYS 57 -10.282 -17.450 2.390 423 2HZ LYS 57 2HZ LYS 57 -9.501 -17.587 0.896 424 3HZ LYS 57 3HZ LYS 57 -11.089 -17.009 0.970 425 H MET 58 H MET 58 -12.355 -9.394 2.917 426 HA MET 58 HA MET 58 -11.683 -8.160 0.411 427 1HB MET 58 2HB MET 58 -12.078 -6.038 1.626 428 2HB MET 58 1HB MET 58 -13.414 -7.170 1.785 429 1HG MET 58 2HG MET 58 -11.861 -7.772 3.960 430 2HG MET 58 1HG MET 58 -11.670 -6.026 3.817 431 1HE MET 58 1HE MET 58 -14.940 -8.459 3.220 432 2HE MET 58 2HE MET 58 -15.415 -8.380 4.916 433 3HE MET 58 3HE MET 58 -13.826 -9.001 4.475 434 H MET 59 H MET 59 -9.659 -7.903 -0.244 435 HA MET 59 HA MET 59 -7.669 -6.899 1.649 436 1HB MET 59 2HB MET 59 -7.162 -9.268 -0.160 437 2HB MET 59 1HB MET 59 -5.992 -8.513 0.912 438 1HG MET 59 2HG MET 59 -7.443 -9.139 2.831 439 2HG MET 59 1HG MET 59 -8.466 -10.028 1.703 440 1HE MET 59 1HE MET 59 -8.017 -11.442 3.749 441 2HE MET 59 2HE MET 59 -6.524 -12.310 4.108 442 3HE MET 59 3HE MET 59 -7.645 -12.946 2.906 443 H LEU 60 H LEU 60 -6.169 -5.536 0.756 444 HA LEU 60 HA LEU 60 -6.465 -5.000 -2.127 445 1HB LEU 60 2HB LEU 60 -7.278 -3.187 -0.655 446 2HB LEU 60 1HB LEU 60 -5.683 -3.073 0.062 447 HG LEU 60 HG LEU 60 -4.857 -2.577 -2.330 448 1HD1 LEU 60 1HD1 LEU 60 -7.365 -3.204 -3.066 449 2HD1 LEU 60 2HD1 LEU 60 -6.317 -2.123 -3.986 450 3HD1 LEU 60 3HD1 LEU 60 -7.524 -1.456 -2.888 451 1HD2 LEU 60 1HD2 LEU 60 -6.295 -0.823 -0.433 452 2HD2 LEU 60 2HD2 LEU 60 -5.949 -0.156 -2.028 453 3HD2 LEU 60 3HD2 LEU 60 -4.631 -0.747 -1.015 454 H ARG 61 H ARG 61 -4.728 -5.325 -3.351 455 HA ARG 61 HA ARG 61 -2.097 -5.467 -2.031 456 1HB ARG 61 2HB ARG 61 -2.936 -7.632 -2.923 457 2HB ARG 61 1HB ARG 61 -2.984 -6.918 -4.529 458 1HG ARG 61 2HG ARG 61 -0.537 -6.511 -4.354 459 2HG ARG 61 1HG ARG 61 -0.549 -7.398 -2.828 460 1HD ARG 61 2HD ARG 61 -1.370 -8.478 -5.523 461 2HD ARG 61 1HD ARG 61 0.135 -8.838 -4.674 462 HE ARG 61 HE ARG 61 -1.774 -9.576 -2.902 463 1HH1 ARG 61 1HH1 ARG 61 -1.198 -10.345 -6.257 464 2HH1 ARG 61 2HH1 ARG 61 -1.901 -11.923 -6.146 465 1HH2 ARG 61 1HH2 ARG 61 -2.699 -11.652 -2.754 466 2HH2 ARG 61 2HH2 ARG 61 -2.755 -12.665 -4.158 467 H LEU 62 H LEU 62 -0.548 -4.137 -2.708 468 HA LEU 62 HA LEU 62 -1.050 -2.585 -5.161 469 1HB LEU 62 2HB LEU 62 -0.218 -1.832 -2.486 470 2HB LEU 62 1HB LEU 62 0.913 -1.257 -3.696 471 HG LEU 62 HG LEU 62 -1.036 -0.220 -4.902 472 1HD1 LEU 62 1HD1 LEU 62 -2.871 -1.459 -4.052 473 2HD1 LEU 62 2HD1 LEU 62 -3.050 0.192 -3.459 474 3HD1 LEU 62 3HD1 LEU 62 -2.447 -1.070 -2.386 475 1HD2 LEU 62 1HD2 LEU 62 -1.034 0.997 -2.211 476 2HD2 LEU 62 2HD2 LEU 62 -0.718 1.722 -3.786 477 3HD2 LEU 62 3HD2 LEU 62 0.538 0.784 -2.980 478 H ILE 63 H ILE 63 0.365 -2.695 -6.782 479 HA ILE 63 HA ILE 63 2.574 -4.536 -6.594 480 HB ILE 63 HB ILE 63 1.922 -2.745 -8.930 481 1HG1 ILE 63 2HG1 ILE 63 -0.104 -3.944 -8.374 482 2HG1 ILE 63 1HG1 ILE 63 0.612 -4.677 -9.806 483 1HG2 ILE 63 1HG2 ILE 63 4.084 -4.309 -8.554 484 2HG2 ILE 63 2HG2 ILE 63 3.383 -3.969 -10.136 485 3HG2 ILE 63 3HG2 ILE 63 2.983 -5.469 -9.299 486 1HD1 ILE 63 1HD1 ILE 63 0.620 -5.730 -6.994 487 2HD1 ILE 63 2HD1 ILE 63 1.622 -6.399 -8.284 488 3HD1 ILE 63 3HD1 ILE 63 -0.137 -6.437 -8.422 489 H GLY 64 H GLY 64 4.628 -4.058 -6.158 490 1HA GLY 64 2HA GLY 64 5.375 -1.267 -5.803 491 2HA GLY 64 1HA GLY 64 6.310 -2.668 -5.304 492 H LYS 65 H LYS 65 5.004 -1.646 -8.458 493 HA LYS 65 HA LYS 65 5.978 -1.539 -10.517 494 1HB LYS 65 2HB LYS 65 7.719 -0.057 -8.651 495 2HB LYS 65 1HB LYS 65 8.443 -0.458 -10.203 496 1HG LYS 65 2HG LYS 65 6.569 0.636 -11.346 497 2HG LYS 65 1HG LYS 65 5.877 1.061 -9.780 498 1HD LYS 65 2HD LYS 65 7.924 2.340 -9.258 499 2HD LYS 65 1HD LYS 65 8.543 1.964 -10.867 500 1HE LYS 65 2HE LYS 65 7.552 4.194 -10.800 501 2HE LYS 65 1HE LYS 65 6.652 3.127 -11.877 502 1HZ LYS 65 1HZ LYS 65 5.878 3.760 -9.081 503 2HZ LYS 65 2HZ LYS 65 4.995 2.822 -10.177 504 3HZ LYS 65 3HZ LYS 65 5.204 4.475 -10.458 505 H VAL 66 H VAL 66 8.369 -1.877 -11.608 506 HA VAL 66 HA VAL 66 8.996 -4.663 -10.974 507 HB VAL 66 HB VAL 66 8.384 -4.120 -13.300 508 1HG1 VAL 66 1HG1 VAL 66 9.331 -2.498 -14.532 509 2HG1 VAL 66 2HG1 VAL 66 10.948 -2.831 -13.911 510 3HG1 VAL 66 3HG1 VAL 66 9.828 -1.846 -12.971 511 1HG2 VAL 66 1HG2 VAL 66 9.599 -6.004 -13.475 512 2HG2 VAL 66 2HG2 VAL 66 10.922 -5.364 -12.501 513 3HG2 VAL 66 3HG2 VAL 66 10.801 -4.945 -14.210 514 H ASP 67 H ASP 67 10.947 -5.324 -10.262 515 HA ASP 67 HA ASP 67 13.032 -3.266 -9.940 516 1HB ASP 67 2HB ASP 67 12.011 -4.037 -7.805 517 2HB ASP 67 1HB ASP 67 12.545 -5.675 -8.174 518 H GLU 68 H GLU 68 12.822 -4.788 -12.285 519 HA GLU 68 HA GLU 68 15.403 -6.126 -12.222 520 1HB GLU 68 2HB GLU 68 12.893 -7.503 -13.194 521 2HB GLU 68 1HB GLU 68 14.527 -8.105 -13.441 522 1HG GLU 68 2HG GLU 68 14.812 -8.228 -10.993 523 2HG GLU 68 1HG GLU 68 13.133 -7.727 -10.802 524 H SER 69 H SER 69 14.617 -3.663 -13.328 525 HA SER 69 HA SER 69 14.592 -4.204 -16.214 526 1HB SER 69 2HB SER 69 12.815 -2.693 -15.192 527 2HB SER 69 1HB SER 69 14.108 -1.528 -14.905 528 HG SER 69 HG SER 69 14.226 -1.122 -16.990 529 H LYS 70 H LYS 70 16.424 -2.821 -13.631 530 HA LYS 70 HA LYS 70 18.293 -1.434 -15.316 531 1HB LYS 70 2HB LYS 70 18.366 -2.147 -12.381 532 2HB LYS 70 1HB LYS 70 19.599 -1.186 -13.190 533 1HG LYS 70 2HG LYS 70 17.849 0.462 -13.791 534 2HG LYS 70 1HG LYS 70 16.692 -0.477 -12.845 535 1HD LYS 70 2HD LYS 70 18.127 -0.166 -10.854 536 2HD LYS 70 1HD LYS 70 19.200 0.850 -11.817 537 1HE LYS 70 2HE LYS 70 17.845 2.400 -10.747 538 2HE LYS 70 1HE LYS 70 17.072 2.222 -12.323 539 1HZ LYS 70 1HZ LYS 70 15.472 0.718 -11.348 540 2HZ LYS 70 2HZ LYS 70 15.470 2.181 -10.499 541 3HZ LYS 70 3HZ LYS 70 16.232 0.824 -9.840 542 H LYS 71 H LYS 71 18.055 -4.588 -13.834 543 HA LYS 71 HA LYS 71 19.301 -6.480 -14.034 544 1HB LYS 71 2HB LYS 71 20.372 -5.025 -16.457 545 2HB LYS 71 1HB LYS 71 20.690 -6.714 -16.092 546 1HG LYS 71 2HG LYS 71 18.786 -7.332 -17.034 547 2HG LYS 71 1HG LYS 71 17.869 -6.224 -16.012 548 1HD LYS 71 2HD LYS 71 17.422 -5.593 -18.251 549 2HD LYS 71 1HD LYS 71 18.542 -4.388 -17.610 550 1HE LYS 71 2HE LYS 71 19.656 -4.789 -19.527 551 2HE LYS 71 1HE LYS 71 20.289 -6.167 -18.628 552 1HZ LYS 71 1HZ LYS 71 18.920 -7.629 -19.735 553 2HZ LYS 71 2HZ LYS 71 19.281 -6.524 -20.964 554 3HZ LYS 71 3HZ LYS 71 17.793 -6.441 -20.166 555 H ARG 72 H ARG 72 20.218 -4.830 -12.130 556 HA ARG 72 HA ARG 72 23.138 -4.750 -12.486 557 1HB ARG 72 2HB ARG 72 23.191 -3.131 -10.672 558 2HB ARG 72 1HB ARG 72 22.084 -2.594 -11.928 559 1HG ARG 72 2HG ARG 72 20.261 -3.702 -10.474 560 2HG ARG 72 1HG ARG 72 21.473 -3.629 -9.192 561 1HD ARG 72 2HD ARG 72 21.314 -1.116 -10.596 562 2HD ARG 72 1HD ARG 72 19.726 -1.600 -10.003 563 HE ARG 72 HE ARG 72 20.453 -1.266 -7.853 564 1HH1 ARG 72 1HH1 ARG 72 23.200 -1.253 -10.005 565 2HH1 ARG 72 2HH1 ARG 72 24.305 -0.699 -8.793 566 1HH2 ARG 72 1HH2 ARG 72 21.906 -0.536 -6.258 567 2HH2 ARG 72 2HH2 ARG 72 23.571 -0.292 -6.665 568 H LYS 73 H LYS 73 24.480 -5.792 -11.075 569 HA LYS 73 HA LYS 73 23.310 -7.936 -9.542 570 1HB LYS 73 2HB LYS 73 25.685 -7.609 -10.907 571 2HB LYS 73 1HB LYS 73 26.189 -7.517 -9.225 572 1HG LYS 73 2HG LYS 73 25.036 -9.669 -8.810 573 2HG LYS 73 1HG LYS 73 24.680 -9.768 -10.535 574 1HD LYS 73 2HD LYS 73 27.134 -9.629 -10.974 575 2HD LYS 73 1HD LYS 73 27.400 -9.731 -9.232 576 1HE LYS 73 2HE LYS 73 25.676 -11.803 -10.460 577 2HE LYS 73 1HE LYS 73 27.398 -11.873 -10.829 578 1HZ LYS 73 1HZ LYS 73 26.347 -13.028 -8.704 579 2HZ LYS 73 2HZ LYS 73 26.667 -11.508 -8.032 580 3HZ LYS 73 3HZ LYS 73 27.924 -12.412 -8.712 581 H ASP 74 H ASP 74 24.972 -8.264 -7.413 582 HA ASP 74 HA ASP 74 24.802 -5.805 -5.832 583 1HB ASP 74 2HB ASP 74 23.564 -8.459 -5.090 584 2HB ASP 74 1HB ASP 74 23.860 -7.172 -3.924 585 H ASN 75 H ASN 75 25.982 -6.000 -3.745 586 HA ASN 75 HA ASN 75 28.580 -6.991 -4.181 587 1HB ASN 75 2HB ASN 75 27.246 -6.050 -1.639 588 2HB ASN 75 1HB ASN 75 28.970 -6.383 -1.790 589 1HD2 ASN 75 1HD2 ASN 75 27.988 -3.919 -1.011 590 2HD2 ASN 75 2HD2 ASN 75 28.346 -2.758 -2.239 591 H GLU 76 H GLU 76 25.807 -8.297 -2.532 592 HA GLU 76 HA GLU 76 27.288 -10.803 -2.140 593 1HB GLU 76 2HB GLU 76 25.580 -9.307 -0.186 594 2HB GLU 76 1HB GLU 76 25.714 -11.057 -0.074 595 1HG GLU 76 2HG GLU 76 28.153 -10.839 0.116 596 2HG GLU 76 1HG GLU 76 27.985 -9.085 0.059 597 H GLY 77 H GLY 77 25.613 -10.087 -4.322 598 1HA GLY 77 2HA GLY 77 23.846 -10.884 -5.557 599 2HA GLY 77 1HA GLY 77 24.093 -12.371 -4.653 600 H ASN 78 H ASN 78 23.108 -9.262 -3.321 601 HA ASN 78 HA ASN 78 21.062 -10.295 -1.744 602 1HB ASN 78 2HB ASN 78 21.422 -7.499 -2.836 603 2HB ASN 78 1HB ASN 78 20.263 -7.931 -1.583 604 1HD2 ASN 78 1HD2 ASN 78 22.215 -6.034 -1.177 605 2HD2 ASN 78 2HD2 ASN 78 23.350 -6.624 -0.015 606 H GLU 79 H GLU 79 19.764 -11.687 -2.959 607 HA GLU 79 HA GLU 79 17.581 -10.381 -4.323 608 1HB GLU 79 2HB GLU 79 19.342 -12.361 -5.779 609 2HB GLU 79 1HB GLU 79 17.772 -11.816 -6.352 610 1HG GLU 79 2HG GLU 79 18.635 -9.505 -6.413 611 2HG GLU 79 1HG GLU 79 20.220 -10.115 -5.937 612 H VAL 80 H VAL 80 17.506 -11.664 -1.940 613 HA VAL 80 HA VAL 80 16.946 -14.423 -2.039 614 HB VAL 80 HB VAL 80 15.815 -14.088 0.138 615 1HG1 VAL 80 1HG1 VAL 80 18.527 -12.953 -0.392 616 2HG1 VAL 80 2HG1 VAL 80 18.077 -14.456 0.415 617 3HG1 VAL 80 3HG1 VAL 80 17.860 -12.912 1.240 618 1HG2 VAL 80 1HG2 VAL 80 14.778 -11.929 -0.307 619 2HG2 VAL 80 2HG2 VAL 80 16.367 -11.165 -0.366 620 3HG2 VAL 80 3HG2 VAL 80 15.777 -11.855 1.146 621 H VAL 81 H VAL 81 14.931 -11.578 -2.502 622 HA VAL 81 HA VAL 81 12.742 -13.355 -3.351 623 HB VAL 81 HB VAL 81 11.166 -11.527 -2.558 624 1HG1 VAL 81 1HG1 VAL 81 11.159 -13.534 -1.343 625 2HG1 VAL 81 2HG1 VAL 81 11.381 -12.274 -0.128 626 3HG1 VAL 81 3HG1 VAL 81 12.760 -13.231 -0.667 627 1HG2 VAL 81 1HG2 VAL 81 13.377 -10.044 -2.193 628 2HG2 VAL 81 2HG2 VAL 81 13.174 -10.687 -0.564 629 3HG2 VAL 81 3HG2 VAL 81 11.870 -9.771 -1.318 630 HA PRO 82 HA PRO 82 14.092 -10.458 -6.791 631 1HB PRO 82 2HB PRO 82 13.253 -12.870 -8.310 632 2HB PRO 82 1HB PRO 82 14.686 -11.853 -8.510 633 1HG PRO 82 2HG PRO 82 14.874 -14.274 -7.410 634 2HG PRO 82 1HG PRO 82 15.843 -12.918 -6.806 635 1HD PRO 82 2HD PRO 82 13.377 -14.152 -5.648 636 2HD PRO 82 1HD PRO 82 14.822 -13.526 -4.824 637 H LYS 83 H LYS 83 12.666 -10.660 -9.119 638 HA LYS 83 HA LYS 83 10.712 -10.042 -10.102 639 1HB LYS 83 2HB LYS 83 9.907 -12.004 -8.048 640 2HB LYS 83 1HB LYS 83 8.619 -10.956 -8.629 641 1HG LYS 83 2HG LYS 83 8.487 -12.778 -10.042 642 2HG LYS 83 1HG LYS 83 9.441 -11.626 -10.980 643 1HD LYS 83 2HD LYS 83 11.393 -12.930 -9.621 644 2HD LYS 83 1HD LYS 83 10.205 -14.220 -9.817 645 1HE LYS 83 2HE LYS 83 10.155 -13.293 -12.297 646 2HE LYS 83 1HE LYS 83 11.774 -12.745 -11.867 647 1HZ LYS 83 1HZ LYS 83 11.890 -14.913 -12.857 648 2HZ LYS 83 2HZ LYS 83 10.771 -15.538 -11.754 649 3HZ LYS 83 3HZ LYS 83 12.299 -15.044 -11.221 650 HA PRO 84 HA PRO 84 9.207 -6.315 -8.313 651 1HB PRO 84 2HB PRO 84 6.523 -6.346 -8.876 652 2HB PRO 84 1HB PRO 84 7.776 -5.946 -10.055 653 1HG PRO 84 2HG PRO 84 6.334 -8.531 -9.625 654 2HG PRO 84 1HG PRO 84 6.767 -7.729 -11.147 655 1HD PRO 84 2HD PRO 84 8.184 -9.801 -10.190 656 2HD PRO 84 1HD PRO 84 8.963 -8.458 -11.052 657 H GLN 85 H GLN 85 8.757 -5.704 -6.291 658 HA GLN 85 HA GLN 85 7.606 -7.603 -4.450 659 1HB GLN 85 2HB GLN 85 8.160 -5.970 -2.727 660 2HB GLN 85 1HB GLN 85 9.532 -6.214 -3.799 661 1HG GLN 85 2HG GLN 85 8.983 -4.146 -4.977 662 2HG GLN 85 1HG GLN 85 7.607 -3.901 -3.900 663 1HE2 GLN 85 1HE2 GLN 85 9.321 -1.903 -4.014 664 2HE2 GLN 85 2HE2 GLN 85 10.317 -1.827 -2.605 665 H ARG 86 H ARG 86 5.555 -7.686 -3.800 666 HA ARG 86 HA ARG 86 3.808 -5.395 -4.427 667 1HB ARG 86 2HB ARG 86 3.102 -8.335 -4.356 668 2HB ARG 86 1HB ARG 86 1.968 -7.026 -4.657 669 1HG ARG 86 2HG ARG 86 3.186 -6.430 -6.688 670 2HG ARG 86 1HG ARG 86 4.329 -7.740 -6.385 671 1HD ARG 86 2HD ARG 86 2.421 -9.336 -6.471 672 2HD ARG 86 1HD ARG 86 1.377 -7.995 -6.940 673 HE ARG 86 HE ARG 86 3.476 -7.994 -8.731 674 1HH1 ARG 86 1HH1 ARG 86 0.948 -10.206 -7.782 675 2HH1 ARG 86 2HH1 ARG 86 0.852 -10.960 -9.338 676 1HH2 ARG 86 1HH2 ARG 86 3.351 -8.985 -10.777 677 2HH2 ARG 86 2HH2 ARG 86 2.216 -10.267 -11.039 678 H HIS 87 H HIS 87 2.529 -4.587 -2.854 679 HA HIS 87 HA HIS 87 2.857 -5.723 -0.171 680 1HB HIS 87 2HB HIS 87 2.320 -2.996 -1.238 681 2HB HIS 87 1HB HIS 87 1.638 -3.400 0.334 682 HD1 HIS 87 HD1 HIS 87 3.164 -3.185 2.291 683 HD2 HIS 87 HD2 HIS 87 5.231 -3.299 -1.311 684 HE1 HIS 87 HE1 HIS 87 5.564 -2.721 2.881 685 HE2 HIS 87 HE2 HIS 87 6.783 -2.711 0.674 686 H MET 88 H MET 88 1.316 -7.130 0.359 687 HA MET 88 HA MET 88 -1.423 -6.662 -0.587 688 1HB MET 88 2HB MET 88 -0.396 -8.865 -1.073 689 2HB MET 88 1HB MET 88 -0.224 -9.148 0.654 690 1HG MET 88 2HG MET 88 -2.688 -8.973 0.871 691 2HG MET 88 1HG MET 88 -2.792 -8.851 -0.884 692 1HE MET 88 1HE MET 88 -1.691 -12.567 1.574 693 2HE MET 88 2HE MET 88 -2.160 -10.984 2.193 694 3HE MET 88 3HE MET 88 -0.552 -11.222 1.508 695 H PHE 89 H PHE 89 -2.882 -5.866 0.761 696 HA PHE 89 HA PHE 89 -2.365 -6.040 3.654 697 1HB PHE 89 2HB PHE 89 -3.825 -3.969 2.018 698 2HB PHE 89 1HB PHE 89 -3.932 -4.046 3.774 699 HD1 PHE 89 HD1 PHE 89 -2.041 -2.893 0.973 700 HD2 PHE 89 HD2 PHE 89 -1.800 -3.845 5.111 701 HE1 PHE 89 HE1 PHE 89 0.018 -1.561 1.152 702 HE2 PHE 89 HE2 PHE 89 0.263 -2.511 5.300 703 HZ PHE 89 HZ PHE 89 1.174 -1.367 3.318 704 H SER 90 H SER 90 -4.143 -6.366 5.070 705 HA SER 90 HA SER 90 -6.417 -7.746 3.796 706 1HB SER 90 2HB SER 90 -6.072 -8.475 6.572 707 2HB SER 90 1HB SER 90 -6.078 -9.509 5.143 708 HG SER 90 HG SER 90 -3.903 -9.231 4.931 709 H PHE 91 H PHE 91 -8.265 -6.670 3.976 710 HA PHE 91 HA PHE 91 -8.551 -4.680 6.092 711 1HB PHE 91 2HB PHE 91 -9.839 -5.122 3.432 712 2HB PHE 91 1HB PHE 91 -10.697 -4.189 4.657 713 HD1 PHE 91 HD1 PHE 91 -7.726 -4.323 2.516 714 HD2 PHE 91 HD2 PHE 91 -9.976 -2.018 5.293 715 HE1 PHE 91 HE1 PHE 91 -6.420 -2.332 1.904 716 HE2 PHE 91 HE2 PHE 91 -8.676 -0.012 4.688 717 HZ PHE 91 HZ PHE 91 -6.894 -0.168 2.991 718 H ASN 92 H ASN 92 -10.048 -4.760 7.652 719 HA ASN 92 HA ASN 92 -11.582 -7.238 7.897 720 1HB ASN 92 2HB ASN 92 -10.906 -5.088 9.914 721 2HB ASN 92 1HB ASN 92 -11.920 -6.485 10.263 722 1HD2 ASN 92 1HD2 ASN 92 -9.576 -5.899 11.645 723 2HD2 ASN 92 2HD2 ASN 92 -8.420 -7.140 11.320 724 H ASN 93 H ASN 93 -12.128 -4.498 6.386 725 HA ASN 93 HA ASN 93 -14.966 -4.619 6.832 726 1HB ASN 93 2HB ASN 93 -14.030 -2.987 8.550 727 2HB ASN 93 1HB ASN 93 -13.627 -1.945 7.190 728 1HD2 ASN 93 1HD2 ASN 93 -15.175 -0.748 8.831 729 2HD2 ASN 93 2HD2 ASN 93 -16.830 -0.731 8.336 730 H ARG 94 H ARG 94 -15.959 -4.457 4.945 731 HA ARG 94 HA ARG 94 -14.597 -3.981 2.542 732 1HB ARG 94 2HB ARG 94 -16.702 -5.295 2.762 733 2HB ARG 94 1HB ARG 94 -17.575 -3.791 3.025 734 1HG ARG 94 2HG ARG 94 -17.010 -3.024 0.809 735 2HG ARG 94 1HG ARG 94 -16.010 -4.454 0.540 736 1HD ARG 94 2HD ARG 94 -18.092 -4.829 -0.554 737 2HD ARG 94 1HD ARG 94 -18.066 -5.844 0.888 738 HE ARG 94 HE ARG 94 -19.298 -3.379 1.481 739 1HH1 ARG 94 1HH1 ARG 94 -19.871 -6.342 -0.271 740 2HH1 ARG 94 2HH1 ARG 94 -21.593 -6.255 -0.102 741 1HH2 ARG 94 1HH2 ARG 94 -21.561 -3.263 1.704 742 2HH2 ARG 94 2HH2 ARG 94 -22.553 -4.506 1.019 743 H THR 95 H THR 95 -16.620 -1.870 4.541 744 HA THR 95 HA THR 95 -16.718 0.293 2.782 745 HB THR 95 HB THR 95 -16.718 0.808 5.683 746 HG1 THR 95 HG1 THR 95 -18.591 -0.933 4.470 747 1HG2 THR 95 1HG2 THR 95 -18.829 1.260 3.610 748 2HG2 THR 95 2HG2 THR 95 -17.578 2.428 4.032 749 3HG2 THR 95 3HG2 THR 95 -18.772 1.940 5.234 750 H VAL 96 H VAL 96 -14.517 -0.551 5.376 751 HA VAL 96 HA VAL 96 -12.963 1.813 5.203 752 HB VAL 96 HB VAL 96 -12.182 -0.863 6.363 753 1HG1 VAL 96 1HG1 VAL 96 -10.161 0.195 6.261 754 2HG1 VAL 96 2HG1 VAL 96 -10.751 0.843 7.791 755 3HG1 VAL 96 3HG1 VAL 96 -10.877 1.806 6.320 756 1HG2 VAL 96 1HG2 VAL 96 -13.240 -0.341 8.289 757 2HG2 VAL 96 2HG2 VAL 96 -14.243 0.640 7.219 758 3HG2 VAL 96 3HG2 VAL 96 -12.923 1.385 8.121 759 H MET 97 H MET 97 -12.851 -1.315 3.691 760 HA MET 97 HA MET 97 -10.257 -0.939 2.528 761 1HB MET 97 2HB MET 97 -10.442 -3.076 1.751 762 2HB MET 97 1HB MET 97 -11.647 -3.148 3.025 763 1HG MET 97 2HG MET 97 -12.911 -4.036 1.403 764 2HG MET 97 1HG MET 97 -13.192 -2.351 0.978 765 1HE MET 97 1HE MET 97 -12.910 -5.441 -0.094 766 2HE MET 97 2HE MET 97 -11.277 -5.753 -0.686 767 3HE MET 97 3HE MET 97 -12.551 -5.288 -1.815 768 H ASP 98 H ASP 98 -13.556 -0.289 1.589 769 HA ASP 98 HA ASP 98 -12.919 0.241 -1.149 770 1HB ASP 98 2HB ASP 98 -15.169 -0.537 -0.398 771 2HB ASP 98 1HB ASP 98 -15.400 1.022 0.389 772 H ASN 99 H ASN 99 -13.054 2.038 1.798 773 HA ASN 99 HA ASN 99 -13.155 4.622 0.621 774 1HB ASN 99 2HB ASN 99 -12.320 3.712 3.375 775 2HB ASN 99 1HB ASN 99 -12.453 5.402 2.900 776 1HD2 ASN 99 1HD2 ASN 99 -13.896 4.341 4.997 777 2HD2 ASN 99 2HD2 ASN 99 -15.573 4.331 4.584 778 H ILE 100 H ILE 100 -10.640 2.410 1.500 779 HA ILE 100 HA ILE 100 -8.518 4.338 1.075 780 HB ILE 100 HB ILE 100 -8.354 1.363 1.570 781 1HG1 ILE 100 2HG1 ILE 100 -9.393 2.704 3.415 782 2HG1 ILE 100 1HG1 ILE 100 -7.896 1.896 3.870 783 1HG2 ILE 100 1HG2 ILE 100 -6.001 1.873 2.203 784 2HG2 ILE 100 2HG2 ILE 100 -6.237 3.504 1.573 785 3HG2 ILE 100 3HG2 ILE 100 -6.357 2.115 0.493 786 1HD1 ILE 100 1HD1 ILE 100 -8.130 4.220 4.718 787 2HD1 ILE 100 2HD1 ILE 100 -8.055 4.782 3.048 788 3HD1 ILE 100 3HD1 ILE 100 -6.678 3.938 3.757 789 H LYS 101 H LYS 101 -9.785 1.428 -0.504 790 HA LYS 101 HA LYS 101 -7.932 1.237 -2.573 791 1HB LYS 101 2HB LYS 101 -9.581 -0.510 -2.042 792 2HB LYS 101 1HB LYS 101 -10.870 0.528 -2.639 793 1HG LYS 101 2HG LYS 101 -9.997 0.425 -4.871 794 2HG LYS 101 1HG LYS 101 -8.572 -0.454 -4.317 795 1HD LYS 101 2HD LYS 101 -10.044 -2.059 -5.266 796 2HD LYS 101 1HD LYS 101 -10.133 -2.260 -3.515 797 1HE LYS 101 2HE LYS 101 -12.338 -2.313 -4.722 798 2HE LYS 101 1HE LYS 101 -12.224 -1.146 -3.406 799 1HZ LYS 101 1HZ LYS 101 -11.599 -0.290 -6.147 800 2HZ LYS 101 2HZ LYS 101 -12.196 0.617 -4.851 801 3HZ LYS 101 3HZ LYS 101 -13.218 -0.446 -5.680 802 H MET 102 H MET 102 -10.822 3.232 -2.285 803 HA MET 102 HA MET 102 -10.647 4.161 -5.002 804 1HB MET 102 2HB MET 102 -12.359 5.044 -2.682 805 2HB MET 102 1HB MET 102 -12.481 5.719 -4.301 806 1HG MET 102 2HG MET 102 -12.996 3.443 -5.147 807 2HG MET 102 1HG MET 102 -13.020 2.876 -3.478 808 1HE MET 102 1HE MET 102 -14.238 5.357 -2.002 809 2HE MET 102 2HE MET 102 -14.862 3.746 -1.651 810 3HE MET 102 3HE MET 102 -15.977 5.061 -2.022 811 H THR 103 H THR 103 -9.878 5.418 -1.825 812 HA THR 103 HA THR 103 -9.149 8.004 -2.723 813 HB THR 103 HB THR 103 -9.742 7.199 -0.323 814 HG1 THR 103 HG1 THR 103 -7.590 8.995 -0.734 815 1HG2 THR 103 1HG2 THR 103 -8.205 6.302 1.031 816 2HG2 THR 103 2HG2 THR 103 -6.872 7.173 0.273 817 3HG2 THR 103 3HG2 THR 103 -7.505 5.707 -0.473 818 H LEU 104 H LEU 104 -7.450 4.978 -2.406 819 HA LEU 104 HA LEU 104 -4.829 6.053 -2.696 820 1HB LEU 104 2HB LEU 104 -5.999 3.303 -3.009 821 2HB LEU 104 1HB LEU 104 -4.320 3.624 -3.404 822 HG LEU 104 HG LEU 104 -5.609 3.993 -0.698 823 1HD1 LEU 104 1HD1 LEU 104 -3.575 1.996 -1.679 824 2HD1 LEU 104 2HD1 LEU 104 -5.263 1.655 -1.296 825 3HD1 LEU 104 3HD1 LEU 104 -4.152 2.155 -0.020 826 1HD2 LEU 104 1HD2 LEU 104 -3.938 5.671 -0.948 827 2HD2 LEU 104 2HD2 LEU 104 -2.809 4.527 -1.672 828 3HD2 LEU 104 3HD2 LEU 104 -3.243 4.380 0.031 829 H GLN 105 H GLN 105 -7.361 5.108 -4.894 830 HA GLN 105 HA GLN 105 -5.782 4.904 -7.228 831 1HB GLN 105 2HB GLN 105 -8.709 5.328 -6.728 832 2HB GLN 105 1HB GLN 105 -8.059 5.405 -8.361 833 1HG GLN 105 2HG GLN 105 -7.230 3.137 -8.164 834 2HG GLN 105 1HG GLN 105 -7.806 3.053 -6.501 835 1HE2 GLN 105 1HE2 GLN 105 -8.458 1.615 -9.098 836 2HE2 GLN 105 2HE2 GLN 105 -10.185 1.652 -9.168 837 H GLN 106 H GLN 106 -7.271 7.583 -5.575 838 HA GLN 106 HA GLN 106 -7.050 9.458 -7.677 839 1HB GLN 106 2HB GLN 106 -7.822 11.024 -6.187 840 2HB GLN 106 1HB GLN 106 -8.343 9.559 -5.370 841 1HG GLN 106 2HG GLN 106 -6.073 9.736 -4.136 842 2HG GLN 106 1HG GLN 106 -6.102 11.410 -4.686 843 1HE2 GLN 106 1HE2 GLN 106 -7.222 12.845 -3.549 844 2HE2 GLN 106 2HE2 GLN 106 -8.311 12.472 -2.261 845 H ILE 107 H ILE 107 -4.869 8.494 -5.078 846 HA ILE 107 HA ILE 107 -2.911 10.467 -5.446 847 HB ILE 107 HB ILE 107 -2.584 7.600 -4.540 848 1HG1 ILE 107 2HG1 ILE 107 -2.668 10.097 -2.849 849 2HG1 ILE 107 1HG1 ILE 107 -4.115 9.168 -3.230 850 1HG2 ILE 107 1HG2 ILE 107 -0.615 9.537 -5.186 851 2HG2 ILE 107 2HG2 ILE 107 -0.395 7.927 -4.501 852 3HG2 ILE 107 3HG2 ILE 107 -0.614 9.316 -3.436 853 1HD1 ILE 107 1HD1 ILE 107 -2.119 8.706 -1.225 854 2HD1 ILE 107 2HD1 ILE 107 -2.266 7.306 -2.290 855 3HD1 ILE 107 3HD1 ILE 107 -3.687 7.931 -1.452 856 H ILE 108 H ILE 108 -3.376 7.309 -6.944 857 HA ILE 108 HA ILE 108 -1.092 7.090 -8.493 858 HB ILE 108 HB ILE 108 -3.801 6.375 -9.571 859 1HG1 ILE 108 2HG1 ILE 108 -3.943 5.526 -7.376 860 2HG1 ILE 108 1HG1 ILE 108 -3.462 4.159 -8.371 861 1HG2 ILE 108 1HG2 ILE 108 -1.016 5.364 -9.947 862 2HG2 ILE 108 2HG2 ILE 108 -2.185 5.907 -11.150 863 3HG2 ILE 108 3HG2 ILE 108 -2.411 4.357 -10.338 864 1HD1 ILE 108 1HD1 ILE 108 -1.562 5.824 -6.744 865 2HD1 ILE 108 2HD1 ILE 108 -1.199 4.330 -7.608 866 3HD1 ILE 108 3HD1 ILE 108 -2.274 4.302 -6.209 867 H SER 109 H SER 109 -4.170 8.507 -9.331 868 HA SER 109 HA SER 109 -3.544 9.448 -11.875 869 1HB SER 109 2HB SER 109 -5.445 10.721 -9.898 870 2HB SER 109 1HB SER 109 -5.460 10.942 -11.648 871 HG SER 109 HG SER 109 -6.279 8.979 -11.910 872 H ARG 110 H ARG 110 -2.801 10.759 -8.755 873 HA ARG 110 HA ARG 110 -2.094 13.359 -9.647 874 1HB ARG 110 2HB ARG 110 -1.236 11.925 -7.133 875 2HB ARG 110 1HB ARG 110 -1.111 13.653 -7.429 876 1HG ARG 110 2HG ARG 110 -3.804 12.498 -7.715 877 2HG ARG 110 1HG ARG 110 -3.130 12.505 -6.084 878 1HD ARG 110 2HD ARG 110 -3.013 14.810 -5.999 879 2HD ARG 110 1HD ARG 110 -2.983 14.976 -7.754 880 HE ARG 110 HE ARG 110 -5.450 13.898 -6.785 881 1HH1 ARG 110 1HH1 ARG 110 -3.673 16.852 -7.327 882 2HH1 ARG 110 2HH1 ARG 110 -5.094 17.831 -7.458 883 1HH2 ARG 110 1HH2 ARG 110 -7.323 15.184 -6.958 884 2HH2 ARG 110 2HH2 ARG 110 -7.167 16.885 -7.247 885 H TYR 111 H TYR 111 -0.399 10.346 -9.271 886 HA TYR 111 HA TYR 111 2.218 11.420 -9.587 887 1HB TYR 111 2HB TYR 111 1.038 8.674 -9.652 888 2HB TYR 111 1HB TYR 111 2.673 8.915 -10.258 889 HD1 TYR 111 HD1 TYR 111 4.407 9.894 -8.707 890 HD2 TYR 111 HD2 TYR 111 0.604 8.566 -7.336 891 HE1 TYR 111 HE1 TYR 111 5.278 9.791 -6.410 892 HE2 TYR 111 HE2 TYR 111 1.467 8.457 -5.035 893 HH TYR 111 HH TYR 111 3.592 8.260 -3.871 894 H LYS 112 H LYS 112 -0.280 10.402 -11.750 895 HA LYS 112 HA LYS 112 1.322 10.148 -14.077 896 1HB LYS 112 2HB LYS 112 -1.642 10.623 -13.736 897 2HB LYS 112 1HB LYS 112 -0.867 10.305 -15.283 898 1HG LYS 112 2HG LYS 112 -0.072 8.134 -14.371 899 2HG LYS 112 1HG LYS 112 -1.021 8.453 -12.917 900 1HD LYS 112 2HD LYS 112 -2.563 8.799 -15.360 901 2HD LYS 112 1HD LYS 112 -1.906 7.169 -15.201 902 1HE LYS 112 2HE LYS 112 -2.818 7.581 -12.693 903 2HE LYS 112 1HE LYS 112 -3.968 8.550 -13.612 904 1HZ LYS 112 1HZ LYS 112 -3.392 5.658 -13.937 905 2HZ LYS 112 2HZ LYS 112 -4.327 6.551 -15.028 906 3HZ LYS 112 3HZ LYS 112 -4.841 6.368 -13.427 907 H ASP 113 H ASP 113 -0.534 12.777 -12.633 908 HA ASP 113 HA ASP 113 -0.362 14.618 -14.731 909 1HB ASP 113 2HB ASP 113 -1.798 14.849 -12.693 910 2HB ASP 113 1HB ASP 113 -0.353 15.263 -11.777 911 H ALA 114 H ALA 114 1.907 13.823 -12.163 912 HA ALA 114 HA ALA 114 3.684 15.966 -12.492 913 1HB ALA 114 1HB ALA 114 3.654 14.327 -10.594 914 2HB ALA 114 2HB ALA 114 5.254 14.684 -11.243 915 3HB ALA 114 3HB ALA 114 4.450 13.173 -11.665 916 H ASP 115 H ASP 115 3.304 12.969 -14.256 917 HA ASP 115 HA ASP 115 5.425 13.853 -16.099 918 1HB ASP 115 2HB ASP 115 4.810 11.033 -15.200 919 2HB ASP 115 1HB ASP 115 5.882 11.427 -16.540 Start of MODEL 9 1 HT1 PRO 1 HT2 PRO 1 -10.354 12.335 6.921 2 HT2 PRO 1 HT1 PRO 1 -10.870 11.516 5.518 3 HA PRO 1 HA PRO 1 -10.659 10.592 8.095 4 1HB PRO 1 2HB PRO 1 -13.248 9.702 7.721 5 2HB PRO 1 1HB PRO 1 -12.755 10.971 8.850 6 1HG PRO 1 2HG PRO 1 -13.933 11.214 6.123 7 2HG PRO 1 1HG PRO 1 -14.164 12.247 7.542 8 1HD PRO 1 2HD PRO 1 -12.584 12.955 5.441 9 2HD PRO 1 1HD PRO 1 -12.266 13.488 7.104 10 H SER 2 H SER 2 -12.140 10.156 4.943 11 HA SER 2 HA SER 2 -12.042 7.369 4.798 12 1HB SER 2 2HB SER 2 -11.759 9.329 2.508 13 2HB SER 2 1HB SER 2 -12.248 7.640 2.380 14 HG SER 2 HG SER 2 -14.178 8.462 2.578 15 H HIS 3 H HIS 3 -9.584 9.792 4.190 16 HA HIS 3 HA HIS 3 -7.713 8.223 2.837 17 1HB HIS 3 2HB HIS 3 -7.463 10.635 4.614 18 2HB HIS 3 1HB HIS 3 -6.034 9.854 3.944 19 HD1 HIS 3 HD1 HIS 3 -9.061 11.829 2.933 20 HD2 HIS 3 HD2 HIS 3 -5.582 10.313 1.241 21 HE1 HIS 3 HE1 HIS 3 -8.902 12.893 0.660 22 HE2 HIS 3 HE2 HIS 3 -6.740 12.030 -0.308 23 H SER 4 H SER 4 -8.650 8.244 6.151 24 HA SER 4 HA SER 4 -6.448 6.391 6.788 25 1HB SER 4 2HB SER 4 -6.780 7.072 9.165 26 2HB SER 4 1HB SER 4 -6.264 8.402 8.127 27 HG SER 4 HG SER 4 -8.348 9.183 8.118 28 H GLY 5 H GLY 5 -6.959 4.383 7.328 29 1HA GLY 5 2HA GLY 5 -9.483 3.736 8.582 30 2HA GLY 5 1HA GLY 5 -9.321 3.140 6.936 31 H ALA 6 H ALA 6 -9.563 1.608 9.412 32 HA ALA 6 HA ALA 6 -7.064 0.567 10.187 33 1HB ALA 6 1HB ALA 6 -8.337 -1.291 11.155 34 2HB ALA 6 2HB ALA 6 -9.789 -0.705 10.340 35 3HB ALA 6 3HB ALA 6 -9.016 0.281 11.583 36 H ALA 7 H ALA 7 -5.876 -1.131 9.489 37 HA ALA 7 HA ALA 7 -6.856 -2.936 7.477 38 1HB ALA 7 1HB ALA 7 -5.215 -2.382 5.771 39 2HB ALA 7 2HB ALA 7 -4.606 -1.061 6.771 40 3HB ALA 7 3HB ALA 7 -6.244 -0.992 6.119 41 H ILE 8 H ILE 8 -5.567 -4.784 7.189 42 HA ILE 8 HA ILE 8 -3.595 -5.196 9.311 43 HB ILE 8 HB ILE 8 -4.746 -7.241 7.424 44 1HG1 ILE 8 2HG1 ILE 8 -5.636 -6.783 10.261 45 2HG1 ILE 8 1HG1 ILE 8 -6.438 -6.018 8.888 46 1HG2 ILE 8 1HG2 ILE 8 -3.720 -7.888 10.137 47 2HG2 ILE 8 2HG2 ILE 8 -2.557 -7.579 8.850 48 3HG2 ILE 8 3HG2 ILE 8 -3.743 -8.868 8.671 49 1HD1 ILE 8 1HD1 ILE 8 -7.240 -8.002 8.081 50 2HD1 ILE 8 2HD1 ILE 8 -7.331 -8.258 9.827 51 3HD1 ILE 8 3HD1 ILE 8 -6.001 -8.960 8.897 52 H PHE 9 H PHE 9 -1.528 -5.841 8.951 53 HA PHE 9 HA PHE 9 -0.613 -6.280 6.225 54 1HB PHE 9 2HB PHE 9 -0.329 -3.869 6.535 55 2HB PHE 9 1HB PHE 9 0.579 -4.153 8.013 56 HD1 PHE 9 HD1 PHE 9 2.821 -3.789 7.791 57 HD2 PHE 9 HD2 PHE 9 0.680 -5.463 4.521 58 HE1 PHE 9 HE1 PHE 9 4.907 -3.900 6.491 59 HE2 PHE 9 HE2 PHE 9 2.761 -5.580 3.211 60 HZ PHE 9 HZ PHE 9 4.879 -4.798 4.197 61 H GLU 10 H GLU 10 0.183 -8.252 6.466 62 HA GLU 10 HA GLU 10 1.678 -9.875 7.022 63 1HB GLU 10 2HB GLU 10 2.779 -7.994 9.106 64 2HB GLU 10 1HB GLU 10 3.549 -9.436 8.466 65 1HG GLU 10 2HG GLU 10 3.643 -8.355 6.248 66 2HG GLU 10 1HG GLU 10 2.977 -6.891 6.968 67 H LYS 11 H LYS 11 -0.824 -10.090 7.950 68 HA LYS 11 HA LYS 11 -2.114 -11.189 9.424 69 1HB LYS 11 2HB LYS 11 0.626 -12.093 10.091 70 2HB LYS 11 1HB LYS 11 -0.689 -12.564 11.159 71 1HG LYS 11 2HG LYS 11 -1.058 -12.954 8.246 72 2HG LYS 11 1HG LYS 11 0.057 -14.035 9.088 73 1HD LYS 11 2HD LYS 11 -2.557 -13.583 10.389 74 2HD LYS 11 1HD LYS 11 -2.588 -14.493 8.879 75 1HE LYS 11 2HE LYS 11 -0.846 -15.996 9.822 76 2HE LYS 11 1HE LYS 11 -0.990 -15.136 11.354 77 1HZ LYS 11 1HZ LYS 11 -2.784 -17.065 10.134 78 2HZ LYS 11 2HZ LYS 11 -3.532 -15.754 10.898 79 3HZ LYS 11 3HZ LYS 11 -2.479 -16.750 11.769 80 H VAL 12 H VAL 12 -0.762 -8.445 10.171 81 HA VAL 12 HA VAL 12 -1.730 -8.503 12.922 82 HB VAL 12 HB VAL 12 0.578 -6.866 11.871 83 1HG1 VAL 12 1HG1 VAL 12 -0.829 -5.647 13.504 84 2HG1 VAL 12 2HG1 VAL 12 0.801 -5.964 14.096 85 3HG1 VAL 12 3HG1 VAL 12 -0.550 -6.945 14.665 86 1HG2 VAL 12 1HG2 VAL 12 1.620 -8.835 12.284 87 2HG2 VAL 12 2HG2 VAL 12 0.383 -9.375 13.420 88 3HG2 VAL 12 3HG2 VAL 12 1.605 -8.213 13.935 89 H SER 13 H SER 13 -3.128 -6.859 13.482 90 HA SER 13 HA SER 13 -4.014 -5.207 11.229 91 1HB SER 13 2HB SER 13 -5.689 -6.674 12.326 92 2HB SER 13 1HB SER 13 -5.445 -5.790 13.833 93 HG SER 13 HG SER 13 -6.496 -4.811 11.392 94 H GLY 14 H GLY 14 -4.354 -3.043 11.374 95 1HA GLY 14 2HA GLY 14 -3.861 -1.534 13.755 96 2HA GLY 14 1HA GLY 14 -2.514 -1.457 12.624 97 H ILE 15 H ILE 15 -3.474 0.908 13.008 98 HA ILE 15 HA ILE 15 -5.649 1.422 11.142 99 HB ILE 15 HB ILE 15 -4.210 3.245 13.061 100 1HG1 ILE 15 2HG1 ILE 15 -6.353 1.399 13.332 101 2HG1 ILE 15 1HG1 ILE 15 -5.723 2.514 14.541 102 1HG2 ILE 15 1HG2 ILE 15 -6.429 3.858 11.113 103 2HG2 ILE 15 2HG2 ILE 15 -4.821 4.582 11.172 104 3HG2 ILE 15 3HG2 ILE 15 -5.980 4.904 12.461 105 1HD1 ILE 15 1HD1 ILE 15 -7.968 2.997 12.602 106 2HD1 ILE 15 2HD1 ILE 15 -7.272 4.245 13.636 107 3HD1 ILE 15 3HD1 ILE 15 -8.071 2.848 14.355 108 H ILE 16 H ILE 16 -5.374 2.094 9.162 109 HA ILE 16 HA ILE 16 -2.687 2.797 8.249 110 HB ILE 16 HB ILE 16 -4.904 1.266 7.174 111 1HG1 ILE 16 2HG1 ILE 16 -2.010 1.654 6.419 112 2HG1 ILE 16 1HG1 ILE 16 -2.714 0.357 7.373 113 1HG2 ILE 16 1HG2 ILE 16 -3.821 3.466 5.423 114 2HG2 ILE 16 2HG2 ILE 16 -5.503 3.131 5.829 115 3HG2 ILE 16 3HG2 ILE 16 -4.609 2.021 4.792 116 1HD1 ILE 16 1HD1 ILE 16 -2.966 -0.855 5.546 117 2HD1 ILE 16 2HD1 ILE 16 -2.265 0.448 4.587 118 3HD1 ILE 16 3HD1 ILE 16 -4.007 0.387 4.852 119 H ALA 17 H ALA 17 -2.221 4.843 7.822 120 HA ALA 17 HA ALA 17 -4.411 6.681 7.110 121 1HB ALA 17 1HB ALA 17 -3.681 7.201 9.350 122 2HB ALA 17 2HB ALA 17 -3.150 8.474 8.250 123 3HB ALA 17 3HB ALA 17 -2.000 7.267 8.822 124 H ILE 18 H ILE 18 -4.039 8.116 5.462 125 HA ILE 18 HA ILE 18 -1.587 7.649 3.920 126 HB ILE 18 HB ILE 18 -4.406 8.105 3.198 127 1HG1 ILE 18 2HG1 ILE 18 -2.181 6.930 1.541 128 2HG1 ILE 18 1HG1 ILE 18 -2.959 6.029 2.840 129 1HG2 ILE 18 1HG2 ILE 18 -3.754 10.164 2.320 130 2HG2 ILE 18 2HG2 ILE 18 -3.684 9.062 0.944 131 3HG2 ILE 18 3HG2 ILE 18 -2.199 9.544 1.766 132 1HD1 ILE 18 1HD1 ILE 18 -4.245 5.319 1.131 133 2HD1 ILE 18 2HD1 ILE 18 -3.973 6.775 0.173 134 3HD1 ILE 18 3HD1 ILE 18 -5.133 6.797 1.503 135 H ASN 19 H ASN 19 -0.093 9.149 4.283 136 HA ASN 19 HA ASN 19 -0.935 11.916 4.785 137 1HB ASN 19 2HB ASN 19 0.611 10.708 6.406 138 2HB ASN 19 1HB ASN 19 1.839 10.779 5.146 139 1HD2 ASN 19 1HD2 ASN 19 2.998 11.977 6.825 140 2HD2 ASN 19 2HD2 ASN 19 2.733 13.680 6.957 141 H GLU 20 H GLU 20 -1.053 13.085 2.983 142 HA GLU 20 HA GLU 20 0.677 12.495 0.728 143 1HB GLU 20 2HB GLU 20 -1.530 14.536 1.053 144 2HB GLU 20 1HB GLU 20 -0.665 14.219 -0.444 145 1HG GLU 20 2HG GLU 20 -1.498 11.909 -0.412 146 2HG GLU 20 1HG GLU 20 -2.405 12.275 1.054 147 H ASP 21 H ASP 21 0.726 14.548 3.428 148 HA ASP 21 HA ASP 21 1.871 16.884 2.505 149 1HB ASP 21 2HB ASP 21 2.365 15.358 5.062 150 2HB ASP 21 1HB ASP 21 3.023 16.963 4.759 151 H VAL 22 H VAL 22 3.213 13.717 2.668 152 HA VAL 22 HA VAL 22 5.938 14.569 2.384 153 HB VAL 22 HB VAL 22 5.099 11.796 1.820 154 1HG1 VAL 22 1HG1 VAL 22 7.507 13.217 2.712 155 2HG1 VAL 22 2HG1 VAL 22 7.345 11.787 1.693 156 3HG1 VAL 22 3HG1 VAL 22 7.231 11.638 3.447 157 1HG2 VAL 22 1HG2 VAL 22 4.736 13.195 4.392 158 2HG2 VAL 22 2HG2 VAL 22 5.468 11.592 4.461 159 3HG2 VAL 22 3HG2 VAL 22 3.878 11.804 3.727 160 H SER 23 H SER 23 7.263 14.102 0.549 161 HA SER 23 HA SER 23 5.820 13.583 -1.947 162 1HB SER 23 2HB SER 23 7.560 15.447 -2.830 163 2HB SER 23 1HB SER 23 5.912 15.822 -2.328 164 HG SER 23 HG SER 23 7.533 17.167 -1.347 165 HA PRO 24 HA PRO 24 5.794 12.171 -3.348 166 1HB PRO 24 2HB PRO 24 5.924 9.461 -3.406 167 2HB PRO 24 1HB PRO 24 6.622 10.484 -4.666 168 1HG PRO 24 2HG PRO 24 7.966 9.159 -2.341 169 2HG PRO 24 1HG PRO 24 8.506 9.277 -4.027 170 1HD PRO 24 2HD PRO 24 9.472 10.886 -2.082 171 2HD PRO 24 1HD PRO 24 9.281 11.434 -3.760 172 H ALA 25 H ALA 25 3.865 11.516 -2.429 173 HA ALA 25 HA ALA 25 3.608 11.548 0.335 174 1HB ALA 25 1HB ALA 25 1.753 12.038 -1.155 175 2HB ALA 25 2HB ALA 25 1.308 10.759 -0.025 176 3HB ALA 25 3HB ALA 25 1.716 10.358 -1.694 177 H GLU 26 H GLU 26 2.466 9.707 1.600 178 HA GLU 26 HA GLU 26 3.375 7.045 0.881 179 1HB GLU 26 2HB GLU 26 4.395 8.444 3.357 180 2HB GLU 26 1HB GLU 26 4.585 6.727 3.028 181 1HG GLU 26 2HG GLU 26 5.867 7.279 1.004 182 2HG GLU 26 1HG GLU 26 5.721 8.990 1.403 183 H LEU 27 H LEU 27 2.613 5.385 2.376 184 HA LEU 27 HA LEU 27 0.129 6.195 3.734 185 1HB LEU 27 2HB LEU 27 -0.479 4.814 1.934 186 2HB LEU 27 1HB LEU 27 0.877 3.733 2.188 187 HG LEU 27 HG LEU 27 -0.177 2.854 4.212 188 1HD1 LEU 27 1HD1 LEU 27 -2.806 3.979 3.791 189 2HD1 LEU 27 2HD1 LEU 27 -1.617 5.224 4.170 190 3HD1 LEU 27 3HD1 LEU 27 -1.850 3.863 5.268 191 1HD2 LEU 27 1HD2 LEU 27 -1.855 2.852 1.713 192 2HD2 LEU 27 2HD2 LEU 27 -2.180 1.813 3.101 193 3HD2 LEU 27 3HD2 LEU 27 -0.659 1.659 2.221 194 H THR 28 H THR 28 0.284 6.124 5.899 195 HA THR 28 HA THR 28 2.338 4.552 7.156 196 HB THR 28 HB THR 28 0.505 6.053 8.841 197 HG1 THR 28 HG1 THR 28 1.964 7.481 6.887 198 1HG2 THR 28 1HG2 THR 28 2.743 5.354 9.543 199 2HG2 THR 28 2HG2 THR 28 2.513 7.100 9.642 200 3HG2 THR 28 3HG2 THR 28 3.425 6.404 8.304 201 H TRP 29 H TRP 29 1.980 2.989 8.703 202 HA TRP 29 HA TRP 29 -0.760 2.060 9.126 203 1HB TRP 29 2HB TRP 29 0.228 0.625 7.397 204 2HB TRP 29 1HB TRP 29 1.607 0.300 8.446 205 HD1 TRP 29 HD1 TRP 29 -2.207 0.103 9.069 206 HE1 TRP 29 HE1 TRP 29 -2.736 -2.204 10.103 207 HE3 TRP 29 HE3 TRP 29 2.510 -1.859 9.124 208 HZ2 TRP 29 HZ2 TRP 29 -1.331 -4.517 10.839 209 HZ3 TRP 29 HZ3 TRP 29 2.830 -4.134 10.017 210 HH2 TRP 29 HH2 TRP 29 0.936 -5.440 10.854 211 H ARG 30 H ARG 30 -1.063 2.330 11.250 212 HA ARG 30 HA ARG 30 1.177 1.734 13.060 213 1HB ARG 30 2HB ARG 30 0.101 3.979 13.244 214 2HB ARG 30 1HB ARG 30 -1.408 3.185 13.674 215 1HG ARG 30 2HG ARG 30 -0.312 2.225 15.656 216 2HG ARG 30 1HG ARG 30 1.164 3.096 15.236 217 1HD ARG 30 2HD ARG 30 -1.501 4.407 15.760 218 2HD ARG 30 1HD ARG 30 -0.229 4.223 16.965 219 HE ARG 30 HE ARG 30 1.003 5.870 15.904 220 1HH1 ARG 30 1HH1 ARG 30 -1.830 5.084 14.014 221 2HH1 ARG 30 2HH1 ARG 30 -1.674 6.465 12.983 222 1HH2 ARG 30 1HH2 ARG 30 1.204 7.683 14.547 223 2HH2 ARG 30 2HH2 ARG 30 0.045 7.940 13.284 224 H SER 31 H SER 31 1.116 -0.073 14.288 225 HA SER 31 HA SER 31 -0.859 -2.016 13.936 226 1HB SER 31 2HB SER 31 1.203 -2.866 14.620 227 2HB SER 31 1HB SER 31 1.386 -1.666 15.900 228 HG SER 31 HG SER 31 0.197 -4.116 15.969 229 H THR 32 H THR 32 -2.241 -2.963 15.606 230 HA THR 32 HA THR 32 -4.042 -1.125 16.669 231 HB THR 32 HB THR 32 -3.538 -4.036 16.807 232 HG1 THR 32 HG1 THR 32 -5.234 -3.997 15.588 233 1HG2 THR 32 1HG2 THR 32 -5.359 -2.678 18.758 234 2HG2 THR 32 2HG2 THR 32 -3.973 -3.710 19.110 235 3HG2 THR 32 3HG2 THR 32 -5.413 -4.395 18.357 236 H ASP 33 H ASP 33 -1.239 -2.691 17.953 237 HA ASP 33 HA ASP 33 -1.676 -2.074 20.685 238 1HB ASP 33 2HB ASP 33 -0.139 -3.869 19.845 239 2HB ASP 33 1HB ASP 33 0.974 -2.601 19.342 240 H GLY 34 H GLY 34 -0.147 -0.421 18.040 241 1HA GLY 34 2HA GLY 34 0.250 1.864 17.845 242 2HA GLY 34 1HA GLY 34 -0.151 2.053 19.546 243 H ASP 35 H ASP 35 2.129 -0.353 18.577 244 HA ASP 35 HA ASP 35 4.286 1.286 19.714 245 1HB ASP 35 2HB ASP 35 3.927 -1.715 19.724 246 2HB ASP 35 1HB ASP 35 5.379 -0.892 20.285 247 H LYS 36 H LYS 36 3.217 -0.444 16.954 248 HA LYS 36 HA LYS 36 5.842 -0.022 15.687 249 1HB LYS 36 2HB LYS 36 4.138 -2.409 15.783 250 2HB LYS 36 1HB LYS 36 4.664 -1.980 14.161 251 1HG LYS 36 2HG LYS 36 7.007 -1.921 15.022 252 2HG LYS 36 1HG LYS 36 6.397 -2.567 16.547 253 1HD LYS 36 2HD LYS 36 5.996 -3.904 13.876 254 2HD LYS 36 1HD LYS 36 7.323 -4.284 14.976 255 1HE LYS 36 2HE LYS 36 4.637 -4.309 16.178 256 2HE LYS 36 1HE LYS 36 4.930 -5.555 14.965 257 1HZ LYS 36 1HZ LYS 36 5.557 -5.857 17.512 258 2HZ LYS 36 2HZ LYS 36 7.006 -5.171 16.972 259 3HZ LYS 36 3HZ LYS 36 6.432 -6.597 16.268 260 H VAL 37 H VAL 37 5.854 1.185 13.901 261 HA VAL 37 HA VAL 37 3.298 1.685 12.531 262 HB VAL 37 HB VAL 37 5.407 3.791 13.005 263 1HG1 VAL 37 1HG1 VAL 37 3.669 3.782 11.014 264 2HG1 VAL 37 2HG1 VAL 37 4.070 5.264 11.883 265 3HG1 VAL 37 3HG1 VAL 37 2.589 4.387 12.270 266 1HG2 VAL 37 1HG2 VAL 37 3.136 2.911 14.661 267 2HG2 VAL 37 2HG2 VAL 37 3.273 4.652 14.412 268 3HG2 VAL 37 3HG2 VAL 37 4.616 3.754 15.116 269 H HIS 38 H HIS 38 3.383 1.173 10.456 270 HA HIS 38 HA HIS 38 6.017 1.107 9.136 271 1HB HIS 38 2HB HIS 38 4.921 -1.063 9.195 272 2HB HIS 38 1HB HIS 38 3.492 -0.381 8.435 273 HD1 HIS 38 HD1 HIS 38 6.323 -2.316 7.602 274 HD2 HIS 38 HD2 HIS 38 4.324 0.824 5.756 275 HE1 HIS 38 HE1 HIS 38 6.975 -2.437 5.175 276 HE2 HIS 38 HE2 HIS 38 5.678 -0.586 4.063 277 H THR 39 H THR 39 6.335 2.067 7.214 278 HA THR 39 HA THR 39 4.167 3.814 6.232 279 HB THR 39 HB THR 39 7.127 4.386 6.014 280 HG1 THR 39 HG1 THR 39 7.042 5.036 7.988 281 1HG2 THR 39 1HG2 THR 39 4.673 6.033 5.517 282 2HG2 THR 39 2HG2 THR 39 5.998 5.672 4.411 283 3HG2 THR 39 3HG2 THR 39 6.265 6.747 5.783 284 H VAL 40 H VAL 40 3.648 3.689 4.128 285 HA VAL 40 HA VAL 40 5.319 1.969 2.412 286 HB VAL 40 HB VAL 40 2.357 2.450 2.107 287 1HG1 VAL 40 1HG1 VAL 40 2.728 0.203 0.803 288 2HG1 VAL 40 2HG1 VAL 40 4.383 0.798 0.681 289 3HG1 VAL 40 3HG1 VAL 40 3.051 1.758 0.036 290 1HG2 VAL 40 1HG2 VAL 40 3.584 -0.077 3.157 291 2HG2 VAL 40 2HG2 VAL 40 1.899 0.439 3.208 292 3HG2 VAL 40 3HG2 VAL 40 3.094 1.232 4.233 293 H VAL 41 H VAL 41 5.750 2.602 0.321 294 HA VAL 41 HA VAL 41 5.420 5.449 -0.206 295 HB VAL 41 HB VAL 41 6.925 3.417 -1.859 296 1HG1 VAL 41 1HG1 VAL 41 8.156 5.818 -2.201 297 2HG1 VAL 41 2HG1 VAL 41 6.470 6.309 -2.034 298 3HG1 VAL 41 3HG1 VAL 41 6.932 5.153 -3.282 299 1HG2 VAL 41 1HG2 VAL 41 8.895 3.925 -0.676 300 2HG2 VAL 41 2HG2 VAL 41 7.671 3.649 0.564 301 3HG2 VAL 41 3HG2 VAL 41 8.147 5.295 0.145 302 H LEU 42 H LEU 42 3.897 6.226 -1.499 303 HA LEU 42 HA LEU 42 2.220 4.388 -2.989 304 1HB LEU 42 2HB LEU 42 1.901 7.373 -2.829 305 2HB LEU 42 1HB LEU 42 0.674 6.169 -3.181 306 HG LEU 42 HG LEU 42 1.992 6.678 -0.515 307 1HD1 LEU 42 1HD1 LEU 42 -0.927 6.731 -0.807 308 2HD1 LEU 42 2HD1 LEU 42 -0.068 8.020 -1.649 309 3HD1 LEU 42 3HD1 LEU 42 0.148 7.804 0.088 310 1HD2 LEU 42 1HD2 LEU 42 1.652 4.475 -0.199 311 2HD2 LEU 42 2HD2 LEU 42 0.526 4.350 -1.552 312 3HD2 LEU 42 3HD2 LEU 42 -0.032 4.960 0.006 313 H SER 43 H SER 43 4.937 6.289 -3.644 314 HA SER 43 HA SER 43 4.261 6.969 -6.356 315 1HB SER 43 2HB SER 43 6.583 7.746 -6.517 316 2HB SER 43 1HB SER 43 5.823 8.361 -5.051 317 HG SER 43 HG SER 43 7.978 6.730 -5.330 318 H THR 44 H THR 44 5.805 4.333 -4.697 319 HA THR 44 HA THR 44 6.950 3.207 -7.082 320 HB THR 44 HB THR 44 8.043 2.863 -4.922 321 HG1 THR 44 HG1 THR 44 7.017 0.390 -5.833 322 1HG2 THR 44 1HG2 THR 44 6.037 2.767 -3.501 323 2HG2 THR 44 2HG2 THR 44 7.142 1.421 -3.228 324 3HG2 THR 44 3HG2 THR 44 5.670 1.178 -4.168 325 H ILE 45 H ILE 45 3.955 3.034 -5.406 326 HA ILE 45 HA ILE 45 3.043 0.510 -6.244 327 HB ILE 45 HB ILE 45 1.330 2.949 -5.775 328 1HG1 ILE 45 2HG1 ILE 45 2.776 2.688 -3.860 329 2HG1 ILE 45 1HG1 ILE 45 1.171 2.107 -3.428 330 1HG2 ILE 45 1HG2 ILE 45 -0.446 1.466 -5.369 331 2HG2 ILE 45 2HG2 ILE 45 0.631 0.074 -5.265 332 3HG2 ILE 45 3HG2 ILE 45 0.343 0.852 -6.821 333 1HD1 ILE 45 1HD1 ILE 45 3.701 0.598 -3.804 334 2HD1 ILE 45 2HD1 ILE 45 2.170 -0.210 -4.142 335 3HD1 ILE 45 3HD1 ILE 45 2.478 0.464 -2.540 336 H ASP 46 H ASP 46 3.536 0.169 -8.401 337 HA ASP 46 HA ASP 46 2.960 1.931 -10.506 338 1HB ASP 46 2HB ASP 46 4.487 -0.053 -10.626 339 2HB ASP 46 1HB ASP 46 3.063 -1.086 -10.664 340 H LYS 47 H LYS 47 0.974 -0.393 -8.809 341 HA LYS 47 HA LYS 47 -1.392 0.692 -10.051 342 1HB LYS 47 2HB LYS 47 -0.641 -2.204 -10.478 343 2HB LYS 47 1HB LYS 47 -2.234 -1.532 -10.805 344 1HG LYS 47 2HG LYS 47 -1.137 0.048 -12.409 345 2HG LYS 47 1HG LYS 47 0.354 -0.867 -12.183 346 1HD LYS 47 2HD LYS 47 -2.249 -2.088 -13.090 347 2HD LYS 47 1HD LYS 47 -0.985 -1.534 -14.190 348 1HE LYS 47 2HE LYS 47 -0.039 -3.309 -12.059 349 2HE LYS 47 1HE LYS 47 -1.188 -4.058 -13.167 350 1HZ LYS 47 1HZ LYS 47 1.288 -2.638 -13.993 351 2HZ LYS 47 2HZ LYS 47 0.211 -3.450 -15.014 352 3HZ LYS 47 3HZ LYS 47 1.125 -4.319 -13.887 353 H LEU 48 H LEU 48 -3.395 -0.375 -9.162 354 HA LEU 48 HA LEU 48 -2.914 -1.278 -6.399 355 1HB LEU 48 2HB LEU 48 -4.754 0.762 -7.513 356 2HB LEU 48 1HB LEU 48 -5.386 -0.243 -6.223 357 HG LEU 48 HG LEU 48 -3.104 0.464 -5.054 358 1HD1 LEU 48 1HD1 LEU 48 -2.674 1.818 -7.273 359 2HD1 LEU 48 2HD1 LEU 48 -2.190 2.452 -5.699 360 3HD1 LEU 48 3HD1 LEU 48 -3.678 3.018 -6.458 361 1HD2 LEU 48 1HD2 LEU 48 -5.070 2.641 -4.957 362 2HD2 LEU 48 2HD2 LEU 48 -4.430 1.629 -3.664 363 3HD2 LEU 48 3HD2 LEU 48 -5.730 1.027 -4.693 364 H GLN 49 H GLN 49 -3.902 -3.107 -5.754 365 HA GLN 49 HA GLN 49 -5.932 -4.274 -7.542 366 1HB GLN 49 2HB GLN 49 -3.743 -5.742 -6.060 367 2HB GLN 49 1HB GLN 49 -5.011 -6.500 -7.012 368 1HG GLN 49 2HG GLN 49 -4.151 -5.221 -8.991 369 2HG GLN 49 1HG GLN 49 -2.780 -4.744 -7.992 370 1HE2 GLN 49 1HE2 GLN 49 -1.965 -6.847 -6.712 371 2HE2 GLN 49 2HE2 GLN 49 -1.579 -8.165 -7.760 372 H ALA 50 H ALA 50 -7.664 -5.292 -6.596 373 HA ALA 50 HA ALA 50 -7.745 -5.487 -3.678 374 1HB ALA 50 1HB ALA 50 -10.186 -4.374 -4.907 375 2HB ALA 50 2HB ALA 50 -8.795 -3.294 -4.815 376 3HB ALA 50 3HB ALA 50 -9.439 -4.030 -3.346 377 H THR 51 H THR 51 -9.413 -6.878 -2.874 378 HA THR 51 HA THR 51 -9.846 -9.157 -4.519 379 HB THR 51 HB THR 51 -11.379 -9.797 -2.508 380 HG1 THR 51 HG1 THR 51 -11.682 -7.984 -1.410 381 1HG2 THR 51 1HG2 THR 51 -8.426 -9.348 -2.182 382 2HG2 THR 51 2HG2 THR 51 -9.236 -10.819 -2.719 383 3HG2 THR 51 3HG2 THR 51 -9.424 -10.266 -1.055 384 HA PRO 52 HA PRO 52 -13.689 -8.006 -6.391 385 1HB PRO 52 2HB PRO 52 -14.617 -10.444 -7.089 386 2HB PRO 52 1HB PRO 52 -13.247 -9.684 -7.907 387 1HG PRO 52 2HG PRO 52 -13.253 -11.781 -5.771 388 2HG PRO 52 1HG PRO 52 -12.266 -11.685 -7.241 389 1HD PRO 52 2HD PRO 52 -11.346 -10.961 -4.785 390 2HD PRO 52 1HD PRO 52 -10.773 -10.217 -6.292 391 H ALA 53 H ALA 53 -16.019 -8.305 -6.198 392 HA ALA 53 HA ALA 53 -16.855 -8.454 -3.488 393 1HB ALA 53 1HB ALA 53 -18.937 -8.635 -5.555 394 2HB ALA 53 2HB ALA 53 -17.849 -7.255 -5.694 395 3HB ALA 53 3HB ALA 53 -18.765 -7.510 -4.208 396 H SER 54 H SER 54 -16.337 -10.862 -5.808 397 HA SER 54 HA SER 54 -18.352 -12.674 -4.753 398 1HB SER 54 2HB SER 54 -17.706 -12.534 -7.215 399 2HB SER 54 1HB SER 54 -16.205 -13.341 -6.765 400 HG SER 54 HG SER 54 -17.282 -15.151 -6.326 401 H SER 55 H SER 55 -15.405 -11.687 -3.708 402 HA SER 55 HA SER 55 -14.644 -14.333 -2.678 403 1HB SER 55 2HB SER 55 -13.054 -12.552 -3.957 404 2HB SER 55 1HB SER 55 -12.812 -12.042 -2.286 405 HG SER 55 HG SER 55 -11.315 -13.636 -2.820 406 H GLU 56 H GLU 56 -15.348 -14.747 -0.708 407 HA GLU 56 HA GLU 56 -16.457 -12.892 1.047 408 1HB GLU 56 2HB GLU 56 -16.810 -15.354 1.153 409 2HB GLU 56 1HB GLU 56 -15.175 -15.531 1.774 410 1HG GLU 56 2HG GLU 56 -15.795 -14.145 3.716 411 2HG GLU 56 1HG GLU 56 -17.448 -14.075 3.105 412 H LYS 57 H LYS 57 -13.181 -13.590 0.360 413 HA LYS 57 HA LYS 57 -12.232 -12.392 2.852 414 1HB LYS 57 2HB LYS 57 -10.679 -13.585 0.547 415 2HB LYS 57 1HB LYS 57 -9.992 -13.033 2.069 416 1HG LYS 57 2HG LYS 57 -11.971 -15.283 1.763 417 2HG LYS 57 1HG LYS 57 -10.230 -15.468 1.983 418 1HD LYS 57 2HD LYS 57 -11.322 -13.744 4.014 419 2HD LYS 57 1HD LYS 57 -12.194 -15.277 3.975 420 1HE LYS 57 2HE LYS 57 -10.411 -15.602 5.478 421 2HE LYS 57 1HE LYS 57 -9.925 -16.405 3.986 422 1HZ LYS 57 1HZ LYS 57 -8.277 -14.928 3.620 423 2HZ LYS 57 2HZ LYS 57 -8.352 -14.737 5.298 424 3HZ LYS 57 3HZ LYS 57 -9.123 -13.623 4.286 425 H MET 58 H MET 58 -11.905 -10.280 2.967 426 HA MET 58 HA MET 58 -11.619 -8.742 0.492 427 1HB MET 58 2HB MET 58 -11.922 -6.776 2.134 428 2HB MET 58 1HB MET 58 -13.314 -7.793 1.788 429 1HG MET 58 2HG MET 58 -13.187 -8.863 3.869 430 2HG MET 58 1HG MET 58 -11.554 -8.271 4.166 431 1HE MET 58 1HE MET 58 -15.129 -7.858 5.209 432 2HE MET 58 2HE MET 58 -15.247 -7.196 3.578 433 3HE MET 58 3HE MET 58 -15.500 -6.150 4.975 434 H MET 59 H MET 59 -9.664 -8.178 -0.160 435 HA MET 59 HA MET 59 -7.679 -7.265 1.754 436 1HB MET 59 2HB MET 59 -7.157 -9.592 -0.107 437 2HB MET 59 1HB MET 59 -5.926 -8.763 0.837 438 1HG MET 59 2HG MET 59 -7.181 -9.412 2.893 439 2HG MET 59 1HG MET 59 -8.232 -10.390 1.871 440 1HE MET 59 1HE MET 59 -4.749 -9.420 2.573 441 2HE MET 59 2HE MET 59 -3.746 -10.781 2.070 442 3HE MET 59 3HE MET 59 -4.429 -10.743 3.696 443 H LEU 60 H LEU 60 -6.200 -5.836 0.878 444 HA LEU 60 HA LEU 60 -6.601 -5.184 -1.969 445 1HB LEU 60 2HB LEU 60 -6.536 -3.534 0.443 446 2HB LEU 60 1HB LEU 60 -5.476 -2.941 -0.822 447 HG LEU 60 HG LEU 60 -8.291 -3.633 -1.530 448 1HD1 LEU 60 1HD1 LEU 60 -9.209 -1.684 -0.701 449 2HD1 LEU 60 2HD1 LEU 60 -7.639 -0.906 -0.497 450 3HD1 LEU 60 3HD1 LEU 60 -8.145 -2.179 0.614 451 1HD2 LEU 60 1HD2 LEU 60 -6.061 -2.018 -2.593 452 2HD2 LEU 60 2HD2 LEU 60 -7.679 -1.347 -2.803 453 3HD2 LEU 60 3HD2 LEU 60 -7.298 -2.947 -3.440 454 H ARG 61 H ARG 61 -4.928 -5.675 -3.204 455 HA ARG 61 HA ARG 61 -2.251 -5.807 -1.997 456 1HB ARG 61 2HB ARG 61 -3.120 -7.866 -3.076 457 2HB ARG 61 1HB ARG 61 -3.227 -6.994 -4.598 458 1HG ARG 61 2HG ARG 61 -0.805 -6.652 -4.570 459 2HG ARG 61 1HG ARG 61 -0.705 -7.542 -3.050 460 1HD ARG 61 2HD ARG 61 -1.743 -8.655 -5.655 461 2HD ARG 61 1HD ARG 61 -0.124 -8.923 -5.010 462 HE ARG 61 HE ARG 61 -1.000 -10.383 -3.445 463 1HH1 ARG 61 1HH1 ARG 61 -3.585 -8.823 -5.204 464 2HH1 ARG 61 2HH1 ARG 61 -4.801 -9.903 -4.615 465 1HH2 ARG 61 1HH2 ARG 61 -2.602 -11.798 -2.673 466 2HH2 ARG 61 2HH2 ARG 61 -4.245 -11.589 -3.179 467 H LEU 62 H LEU 62 -0.624 -4.551 -2.680 468 HA LEU 62 HA LEU 62 -1.185 -2.715 -4.917 469 1HB LEU 62 2HB LEU 62 -0.265 -2.233 -2.205 470 2HB LEU 62 1HB LEU 62 0.837 -1.561 -3.392 471 HG LEU 62 HG LEU 62 -1.117 -0.384 -4.433 472 1HD1 LEU 62 1HD1 LEU 62 -2.486 -1.678 -2.119 473 2HD1 LEU 62 2HD1 LEU 62 -3.031 -1.483 -3.786 474 3HD1 LEU 62 3HD1 LEU 62 -3.036 -0.101 -2.690 475 1HD2 LEU 62 1HD2 LEU 62 -1.115 0.600 -1.666 476 2HD2 LEU 62 2HD2 LEU 62 -0.688 1.422 -3.166 477 3HD2 LEU 62 3HD2 LEU 62 0.483 0.365 -2.376 478 H ILE 63 H ILE 63 0.164 -2.716 -6.576 479 HA ILE 63 HA ILE 63 2.539 -4.427 -6.425 480 HB ILE 63 HB ILE 63 1.435 -3.211 -8.943 481 1HG1 ILE 63 2HG1 ILE 63 -0.448 -4.358 -8.000 482 2HG1 ILE 63 1HG1 ILE 63 0.221 -5.396 -9.253 483 1HG2 ILE 63 1HG2 ILE 63 2.421 -5.709 -9.501 484 2HG2 ILE 63 2HG2 ILE 63 3.512 -5.132 -8.242 485 3HG2 ILE 63 3HG2 ILE 63 3.288 -4.189 -9.715 486 1HD1 ILE 63 1HD1 ILE 63 0.279 -7.034 -7.773 487 2HD1 ILE 63 2HD1 ILE 63 -0.200 -5.935 -6.477 488 3HD1 ILE 63 3HD1 ILE 63 1.506 -6.134 -6.881 489 H GLY 64 H GLY 64 4.551 -3.645 -6.507 490 1HA GLY 64 2HA GLY 64 4.916 -0.767 -6.600 491 2HA GLY 64 1HA GLY 64 6.144 -1.965 -6.218 492 H LYS 65 H LYS 65 7.096 -0.106 -7.744 493 HA LYS 65 HA LYS 65 6.623 -0.388 -10.530 494 1HB LYS 65 2HB LYS 65 8.501 1.095 -8.808 495 2HB LYS 65 1HB LYS 65 9.111 0.704 -10.411 496 1HG LYS 65 2HG LYS 65 7.162 1.781 -11.415 497 2HG LYS 65 1HG LYS 65 6.558 2.181 -9.805 498 1HD LYS 65 2HD LYS 65 8.634 3.480 -9.404 499 2HD LYS 65 1HD LYS 65 9.121 3.153 -11.069 500 1HE LYS 65 2HE LYS 65 6.621 4.612 -10.215 501 2HE LYS 65 1HE LYS 65 8.089 5.366 -10.837 502 1HZ LYS 65 1HZ LYS 65 6.576 5.199 -12.625 503 2HZ LYS 65 2HZ LYS 65 6.224 3.580 -12.291 504 3HZ LYS 65 3HZ LYS 65 7.747 4.006 -12.890 505 H VAL 66 H VAL 66 8.366 -1.006 -12.086 506 HA VAL 66 HA VAL 66 9.123 -3.700 -11.647 507 HB VAL 66 HB VAL 66 10.182 -1.869 -13.800 508 1HG1 VAL 66 1HG1 VAL 66 11.333 -4.036 -13.517 509 2HG1 VAL 66 2HG1 VAL 66 10.507 -3.898 -15.069 510 3HG1 VAL 66 3HG1 VAL 66 9.795 -4.859 -13.774 511 1HG2 VAL 66 1HG2 VAL 66 8.237 -3.150 -15.069 512 2HG2 VAL 66 2HG2 VAL 66 7.952 -1.630 -14.219 513 3HG2 VAL 66 3HG2 VAL 66 7.531 -3.162 -13.452 514 H ASP 67 H ASP 67 10.917 -0.651 -11.627 515 HA ASP 67 HA ASP 67 12.968 -0.090 -10.822 516 1HB ASP 67 2HB ASP 67 12.604 -2.666 -9.278 517 2HB ASP 67 1HB ASP 67 13.905 -1.514 -8.988 518 H GLU 68 H GLU 68 13.514 -0.607 -13.153 519 HA GLU 68 HA GLU 68 15.385 -2.871 -13.317 520 1HB GLU 68 2HB GLU 68 14.112 -1.333 -15.588 521 2HB GLU 68 1HB GLU 68 15.118 -2.768 -15.734 522 1HG GLU 68 2HG GLU 68 13.410 -4.040 -14.474 523 2HG GLU 68 1HG GLU 68 12.389 -2.602 -14.478 524 H SER 69 H SER 69 16.088 -0.446 -12.036 525 HA SER 69 HA SER 69 17.925 0.815 -13.943 526 1HB SER 69 2HB SER 69 16.341 2.231 -12.545 527 2HB SER 69 1HB SER 69 17.312 1.772 -11.146 528 HG SER 69 HG SER 69 17.799 3.655 -12.996 529 H LYS 70 H LYS 70 17.797 -1.187 -11.141 530 HA LYS 70 HA LYS 70 20.606 -0.860 -10.512 531 1HB LYS 70 2HB LYS 70 18.500 -2.709 -9.378 532 2HB LYS 70 1HB LYS 70 20.152 -2.599 -8.786 533 1HG LYS 70 2HG LYS 70 19.763 -0.217 -8.254 534 2HG LYS 70 1HG LYS 70 18.080 -0.416 -8.749 535 1HD LYS 70 2HD LYS 70 17.841 -2.191 -7.028 536 2HD LYS 70 1HD LYS 70 19.484 -1.839 -6.488 537 1HE LYS 70 2HE LYS 70 17.575 0.426 -6.681 538 2HE LYS 70 1HE LYS 70 17.347 -0.725 -5.366 539 1HZ LYS 70 1HZ LYS 70 20.060 0.235 -5.776 540 2HZ LYS 70 2HZ LYS 70 19.222 -0.057 -4.338 541 3HZ LYS 70 3HZ LYS 70 18.952 1.375 -5.196 542 H LYS 71 H LYS 71 18.539 -3.084 -12.232 543 HA LYS 71 HA LYS 71 20.713 -5.003 -12.564 544 1HB LYS 71 2HB LYS 71 17.806 -5.061 -13.368 545 2HB LYS 71 1HB LYS 71 18.951 -6.320 -13.805 546 1HG LYS 71 2HG LYS 71 17.928 -7.180 -11.922 547 2HG LYS 71 1HG LYS 71 19.408 -6.471 -11.271 548 1HD LYS 71 2HD LYS 71 18.190 -4.492 -10.575 549 2HD LYS 71 1HD LYS 71 16.710 -5.118 -11.306 550 1HE LYS 71 2HE LYS 71 18.219 -6.298 -8.977 551 2HE LYS 71 1HE LYS 71 16.657 -5.484 -8.919 552 1HZ LYS 71 1HZ LYS 71 17.278 -8.085 -10.202 553 2HZ LYS 71 2HZ LYS 71 15.809 -7.271 -10.405 554 3HZ LYS 71 3HZ LYS 71 16.269 -7.811 -8.871 555 H ARG 72 H ARG 72 21.688 -5.468 -14.501 556 HA ARG 72 HA ARG 72 21.084 -3.626 -16.722 557 1HB ARG 72 2HB ARG 72 23.467 -3.797 -17.344 558 2HB ARG 72 1HB ARG 72 23.242 -3.110 -15.741 559 1HG ARG 72 2HG ARG 72 23.791 -5.269 -14.738 560 2HG ARG 72 1HG ARG 72 24.018 -5.957 -16.347 561 1HD ARG 72 2HD ARG 72 25.699 -3.981 -16.638 562 2HD ARG 72 1HD ARG 72 25.693 -3.967 -14.876 563 HE ARG 72 HE ARG 72 26.949 -5.890 -16.577 564 1HH1 ARG 72 1HH1 ARG 72 25.458 -5.439 -13.454 565 2HH1 ARG 72 2HH1 ARG 72 26.315 -6.750 -12.716 566 1HH2 ARG 72 1HH2 ARG 72 28.075 -7.616 -15.609 567 2HH2 ARG 72 2HH2 ARG 72 27.801 -7.986 -13.939 568 H LYS 73 H LYS 73 20.420 -4.544 -18.543 569 HA LYS 73 HA LYS 73 20.732 -7.442 -18.851 570 1HB LYS 73 2HB LYS 73 18.918 -7.316 -20.456 571 2HB LYS 73 1HB LYS 73 18.447 -6.511 -18.965 572 1HG LYS 73 2HG LYS 73 18.998 -4.339 -20.016 573 2HG LYS 73 1HG LYS 73 19.327 -5.194 -21.524 574 1HD LYS 73 2HD LYS 73 16.975 -6.119 -21.354 575 2HD LYS 73 1HD LYS 73 16.709 -4.947 -20.063 576 1HE LYS 73 2HE LYS 73 17.603 -4.258 -22.859 577 2HE LYS 73 1HE LYS 73 15.939 -4.160 -22.285 578 1HZ LYS 73 1HZ LYS 73 17.928 -2.762 -20.691 579 2HZ LYS 73 2HZ LYS 73 16.359 -2.297 -21.117 580 3HZ LYS 73 3HZ LYS 73 17.623 -2.114 -22.225 581 H ASP 74 H ASP 74 21.554 -8.368 -20.727 582 HA ASP 74 HA ASP 74 23.153 -6.545 -22.390 583 1HB ASP 74 2HB ASP 74 23.598 -9.431 -21.631 584 2HB ASP 74 1HB ASP 74 24.533 -8.609 -22.875 585 H ASN 75 H ASN 75 20.610 -8.840 -22.418 586 HA ASN 75 HA ASN 75 19.145 -9.407 -24.079 587 1HB ASN 75 2HB ASN 75 19.832 -7.108 -25.025 588 2HB ASN 75 1HB ASN 75 20.871 -8.024 -26.113 589 1HD2 ASN 75 1HD2 ASN 75 19.560 -7.067 -27.790 590 2HD2 ASN 75 2HD2 ASN 75 18.052 -7.796 -28.209 591 H GLU 76 H GLU 76 22.236 -10.397 -23.763 592 HA GLU 76 HA GLU 76 22.496 -11.996 -26.135 593 1HB GLU 76 2HB GLU 76 24.446 -11.092 -24.862 594 2HB GLU 76 1HB GLU 76 24.045 -12.189 -23.546 595 1HG GLU 76 2HG GLU 76 25.796 -13.184 -24.789 596 2HG GLU 76 1HG GLU 76 24.323 -14.084 -25.150 597 H GLY 77 H GLY 77 20.144 -12.764 -25.488 598 1HA GLY 77 2HA GLY 77 18.835 -14.584 -25.008 599 2HA GLY 77 1HA GLY 77 20.322 -15.517 -24.951 600 H ASN 78 H ASN 78 20.067 -12.835 -22.802 601 HA ASN 78 HA ASN 78 19.619 -14.710 -20.575 602 1HB ASN 78 2HB ASN 78 20.799 -12.851 -19.225 603 2HB ASN 78 1HB ASN 78 21.783 -13.868 -20.273 604 1HD2 ASN 78 1HD2 ASN 78 23.070 -12.905 -21.674 605 2HD2 ASN 78 2HD2 ASN 78 22.994 -11.244 -22.138 606 H GLU 79 H GLU 79 18.644 -11.705 -22.041 607 HA GLU 79 HA GLU 79 16.894 -10.302 -21.665 608 1HB GLU 79 2HB GLU 79 15.804 -12.610 -20.042 609 2HB GLU 79 1HB GLU 79 14.877 -11.245 -20.650 610 1HG GLU 79 2HG GLU 79 15.426 -11.947 -22.953 611 2HG GLU 79 1HG GLU 79 16.245 -13.362 -22.293 612 H VAL 80 H VAL 80 15.319 -9.669 -19.575 613 HA VAL 80 HA VAL 80 17.243 -9.035 -17.433 614 HB VAL 80 HB VAL 80 16.548 -7.054 -18.716 615 1HG1 VAL 80 1HG1 VAL 80 14.226 -6.254 -18.567 616 2HG1 VAL 80 2HG1 VAL 80 13.771 -7.764 -17.778 617 3HG1 VAL 80 3HG1 VAL 80 14.355 -7.780 -19.442 618 1HG2 VAL 80 1HG2 VAL 80 15.213 -6.829 -16.047 619 2HG2 VAL 80 2HG2 VAL 80 16.246 -5.669 -16.883 620 3HG2 VAL 80 3HG2 VAL 80 16.952 -7.112 -16.157 621 H VAL 81 H VAL 81 16.616 -9.238 -15.311 622 HA VAL 81 HA VAL 81 14.008 -10.535 -14.854 623 HB VAL 81 HB VAL 81 15.117 -11.593 -12.845 624 1HG1 VAL 81 1HG1 VAL 81 15.710 -13.458 -14.049 625 2HG1 VAL 81 2HG1 VAL 81 16.518 -12.523 -15.306 626 3HG1 VAL 81 3HG1 VAL 81 14.758 -12.579 -15.245 627 1HG2 VAL 81 1HG2 VAL 81 17.148 -9.869 -13.327 628 2HG2 VAL 81 2HG2 VAL 81 17.765 -11.328 -14.101 629 3HG2 VAL 81 3HG2 VAL 81 17.312 -11.357 -12.396 630 HA PRO 82 HA PRO 82 13.918 -6.562 -12.494 631 1HB PRO 82 2HB PRO 82 11.212 -6.278 -12.698 632 2HB PRO 82 1HB PRO 82 12.347 -5.697 -13.920 633 1HG PRO 82 2HG PRO 82 10.726 -8.213 -13.884 634 2HG PRO 82 1HG PRO 82 11.026 -7.094 -15.227 635 1HD PRO 82 2HD PRO 82 12.363 -9.420 -14.981 636 2HD PRO 82 1HD PRO 82 13.125 -7.963 -15.649 637 H LYS 83 H LYS 83 13.134 -6.136 -10.407 638 HA LYS 83 HA LYS 83 11.926 -8.450 -9.036 639 1HB LYS 83 2HB LYS 83 14.294 -8.093 -8.417 640 2HB LYS 83 1HB LYS 83 13.899 -6.460 -7.897 641 1HG LYS 83 2HG LYS 83 12.137 -8.269 -6.589 642 2HG LYS 83 1HG LYS 83 13.789 -8.862 -6.409 643 1HD LYS 83 2HD LYS 83 12.910 -6.042 -5.797 644 2HD LYS 83 1HD LYS 83 13.070 -7.321 -4.592 645 1HE LYS 83 2HE LYS 83 15.360 -7.336 -4.714 646 2HE LYS 83 1HE LYS 83 15.383 -6.747 -6.375 647 1HZ LYS 83 1HZ LYS 83 16.078 -4.908 -5.239 648 2HZ LYS 83 2HZ LYS 83 15.136 -5.235 -3.873 649 3HZ LYS 83 3HZ LYS 83 14.411 -4.614 -5.269 650 HA PRO 84 HA PRO 84 9.112 -4.756 -8.594 651 1HB PRO 84 2HB PRO 84 6.818 -6.152 -9.024 652 2HB PRO 84 1HB PRO 84 7.774 -5.437 -10.328 653 1HG PRO 84 2HG PRO 84 7.723 -8.266 -9.349 654 2HG PRO 84 1HG PRO 84 7.743 -7.659 -11.015 655 1HD PRO 84 2HD PRO 84 9.966 -8.581 -9.790 656 2HD PRO 84 1HD PRO 84 10.017 -7.261 -10.975 657 H GLN 85 H GLN 85 8.548 -4.202 -6.593 658 HA GLN 85 HA GLN 85 8.190 -6.270 -4.574 659 1HB GLN 85 2HB GLN 85 8.391 -3.262 -4.341 660 2HB GLN 85 1HB GLN 85 8.230 -4.359 -2.977 661 1HG GLN 85 2HG GLN 85 10.352 -5.436 -3.645 662 2HG GLN 85 1HG GLN 85 10.522 -4.230 -4.919 663 1HE2 GLN 85 1HE2 GLN 85 11.388 -2.307 -4.439 664 2HE2 GLN 85 2HE2 GLN 85 11.829 -1.789 -2.851 665 H ARG 86 H ARG 86 6.272 -6.871 -3.792 666 HA ARG 86 HA ARG 86 3.943 -5.159 -4.365 667 1HB ARG 86 2HB ARG 86 4.104 -8.177 -4.360 668 2HB ARG 86 1HB ARG 86 2.608 -7.262 -4.490 669 1HG ARG 86 2HG ARG 86 3.483 -6.223 -6.564 670 2HG ARG 86 1HG ARG 86 4.894 -7.278 -6.450 671 1HD ARG 86 2HD ARG 86 3.323 -9.228 -6.463 672 2HD ARG 86 1HD ARG 86 2.014 -8.097 -6.801 673 HE ARG 86 HE ARG 86 4.035 -7.701 -8.695 674 1HH1 ARG 86 1HH1 ARG 86 1.702 -10.130 -7.781 675 2HH1 ARG 86 2HH1 ARG 86 1.560 -10.775 -9.380 676 1HH2 ARG 86 1HH2 ARG 86 3.849 -8.549 -10.801 677 2HH2 ARG 86 2HH2 ARG 86 2.779 -9.879 -11.096 678 H HIS 87 H HIS 87 2.454 -4.852 -2.767 679 HA HIS 87 HA HIS 87 3.082 -6.039 -0.144 680 1HB HIS 87 2HB HIS 87 2.239 -3.251 -0.891 681 2HB HIS 87 1HB HIS 87 1.932 -3.879 0.725 682 HD1 HIS 87 HD1 HIS 87 3.714 -3.344 2.341 683 HD2 HIS 87 HD2 HIS 87 5.180 -3.579 -1.541 684 HE1 HIS 87 HE1 HIS 87 6.157 -2.772 2.511 685 HE2 HIS 87 HE2 HIS 87 7.001 -2.829 0.137 686 H MET 88 H MET 88 1.560 -7.363 0.578 687 HA MET 88 HA MET 88 -1.159 -7.117 -0.494 688 1HB MET 88 2HB MET 88 0.138 -9.406 0.997 689 2HB MET 88 1HB MET 88 -1.483 -9.416 0.317 690 1HG MET 88 2HG MET 88 -0.552 -9.170 -1.922 691 2HG MET 88 1HG MET 88 1.076 -9.147 -1.246 692 1HE MET 88 1HE MET 88 0.578 -12.292 -3.337 693 2HE MET 88 2HE MET 88 2.065 -11.934 -2.456 694 3HE MET 88 3HE MET 88 1.164 -10.631 -3.232 695 H PHE 89 H PHE 89 -2.720 -6.292 0.723 696 HA PHE 89 HA PHE 89 -2.338 -6.235 3.645 697 1HB PHE 89 2HB PHE 89 -3.675 -4.250 1.807 698 2HB PHE 89 1HB PHE 89 -3.871 -4.216 3.557 699 HD1 PHE 89 HD1 PHE 89 -1.900 -3.818 5.003 700 HD2 PHE 89 HD2 PHE 89 -1.731 -3.413 0.772 701 HE1 PHE 89 HE1 PHE 89 0.172 -2.501 5.214 702 HE2 PHE 89 HE2 PHE 89 0.338 -2.101 0.972 703 HZ PHE 89 HZ PHE 89 1.294 -1.642 3.196 704 H SER 90 H SER 90 -4.240 -6.349 4.961 705 HA SER 90 HA SER 90 -6.514 -7.698 3.655 706 1HB SER 90 2HB SER 90 -4.773 -9.003 5.283 707 2HB SER 90 1HB SER 90 -5.954 -8.437 6.463 708 HG SER 90 HG SER 90 -7.550 -9.529 5.376 709 H PHE 91 H PHE 91 -8.466 -6.851 4.105 710 HA PHE 91 HA PHE 91 -8.582 -4.796 6.200 711 1HB PHE 91 2HB PHE 91 -9.965 -5.108 3.562 712 2HB PHE 91 1HB PHE 91 -10.693 -4.127 4.831 713 HD1 PHE 91 HD1 PHE 91 -7.641 -4.540 2.790 714 HD2 PHE 91 HD2 PHE 91 -9.974 -1.962 5.236 715 HE1 PHE 91 HE1 PHE 91 -6.202 -2.657 2.150 716 HE2 PHE 91 HE2 PHE 91 -8.538 -0.057 4.600 717 HZ PHE 91 HZ PHE 91 -6.648 -0.405 3.055 718 H ASN 92 H ASN 92 -10.399 -4.610 7.506 719 HA ASN 92 HA ASN 92 -11.904 -7.113 7.831 720 1HB ASN 92 2HB ASN 92 -11.329 -4.923 9.843 721 2HB ASN 92 1HB ASN 92 -12.281 -6.370 10.163 722 1HD2 ASN 92 1HD2 ASN 92 -10.871 -8.341 9.020 723 2HD2 ASN 92 2HD2 ASN 92 -9.312 -8.482 9.750 724 H ASN 93 H ASN 93 -12.284 -4.346 6.274 725 HA ASN 93 HA ASN 93 -15.147 -4.389 6.576 726 1HB ASN 93 2HB ASN 93 -13.947 -2.675 8.239 727 2HB ASN 93 1HB ASN 93 -14.011 -1.657 6.801 728 1HD2 ASN 93 1HD2 ASN 93 -15.634 -0.302 7.005 729 2HD2 ASN 93 2HD2 ASN 93 -17.229 -0.695 7.538 730 H ARG 94 H ARG 94 -16.022 -4.255 4.634 731 HA ARG 94 HA ARG 94 -14.493 -3.728 2.319 732 1HB ARG 94 2HB ARG 94 -16.463 -5.205 2.324 733 2HB ARG 94 1HB ARG 94 -17.500 -3.820 2.637 734 1HG ARG 94 2HG ARG 94 -16.790 -2.842 0.486 735 2HG ARG 94 1HG ARG 94 -15.844 -4.300 0.169 736 1HD ARG 94 2HD ARG 94 -17.938 -5.626 0.375 737 2HD ARG 94 1HD ARG 94 -18.834 -4.115 0.524 738 HE ARG 94 HE ARG 94 -17.753 -5.261 -1.879 739 1HH1 ARG 94 1HH1 ARG 94 -18.772 -2.305 -0.329 740 2HH1 ARG 94 2HH1 ARG 94 -19.094 -1.488 -1.821 741 1HH2 ARG 94 1HH2 ARG 94 -18.175 -4.189 -3.841 742 2HH2 ARG 94 2HH2 ARG 94 -18.755 -2.557 -3.816 743 H THR 95 H THR 95 -16.401 -1.704 4.398 744 HA THR 95 HA THR 95 -16.663 0.438 2.540 745 HB THR 95 HB THR 95 -17.439 -0.137 5.308 746 HG1 THR 95 HG1 THR 95 -19.289 0.982 4.615 747 1HG2 THR 95 1HG2 THR 95 -16.751 2.674 4.528 748 2HG2 THR 95 2HG2 THR 95 -16.228 1.769 5.948 749 3HG2 THR 95 3HG2 THR 95 -17.910 2.276 5.797 750 H VAL 96 H VAL 96 -14.618 -0.292 5.282 751 HA VAL 96 HA VAL 96 -13.099 2.092 5.164 752 HB VAL 96 HB VAL 96 -12.375 -0.566 6.400 753 1HG1 VAL 96 1HG1 VAL 96 -11.024 2.094 6.398 754 2HG1 VAL 96 2HG1 VAL 96 -10.328 0.476 6.290 755 3HG1 VAL 96 3HG1 VAL 96 -10.926 1.078 7.836 756 1HG2 VAL 96 1HG2 VAL 96 -13.887 -0.062 7.949 757 2HG2 VAL 96 2HG2 VAL 96 -14.226 1.488 7.179 758 3HG2 VAL 96 3HG2 VAL 96 -12.928 1.358 8.368 759 H MET 97 H MET 97 -12.855 -1.021 3.631 760 HA MET 97 HA MET 97 -10.196 -0.611 2.646 761 1HB MET 97 2HB MET 97 -10.353 -2.703 1.689 762 2HB MET 97 1HB MET 97 -11.514 -2.845 2.999 763 1HG MET 97 2HG MET 97 -13.335 -2.417 1.440 764 2HG MET 97 1HG MET 97 -12.178 -2.254 0.123 765 1HE MET 97 1HE MET 97 -10.090 -4.823 0.852 766 2HE MET 97 2HE MET 97 -10.607 -4.035 -0.640 767 3HE MET 97 3HE MET 97 -10.833 -5.773 -0.435 768 H ASP 98 H ASP 98 -13.439 -0.013 1.458 769 HA ASP 98 HA ASP 98 -12.620 0.605 -1.201 770 1HB ASP 98 2HB ASP 98 -15.182 1.113 0.309 771 2HB ASP 98 1HB ASP 98 -14.952 1.579 -1.374 772 H ASN 99 H ASN 99 -12.951 2.363 1.761 773 HA ASN 99 HA ASN 99 -12.945 4.963 0.614 774 1HB ASN 99 2HB ASN 99 -12.289 4.024 3.409 775 2HB ASN 99 1HB ASN 99 -12.413 5.716 2.940 776 1HD2 ASN 99 1HD2 ASN 99 -13.970 4.565 4.932 777 2HD2 ASN 99 2HD2 ASN 99 -15.618 4.558 4.414 778 H ILE 100 H ILE 100 -10.510 2.716 1.633 779 HA ILE 100 HA ILE 100 -8.350 4.629 1.391 780 HB ILE 100 HB ILE 100 -8.250 1.636 1.803 781 1HG1 ILE 100 2HG1 ILE 100 -9.369 2.936 3.626 782 2HG1 ILE 100 1HG1 ILE 100 -7.902 2.108 4.141 783 1HG2 ILE 100 1HG2 ILE 100 -5.922 2.327 2.725 784 2HG2 ILE 100 2HG2 ILE 100 -6.142 3.754 1.713 785 3HG2 ILE 100 3HG2 ILE 100 -6.151 2.147 0.986 786 1HD1 ILE 100 1HD1 ILE 100 -8.243 5.038 3.565 787 2HD1 ILE 100 2HD1 ILE 100 -6.686 4.265 3.863 788 3HD1 ILE 100 3HD1 ILE 100 -7.922 4.271 5.121 789 H LYS 101 H LYS 101 -9.523 1.767 -0.353 790 HA LYS 101 HA LYS 101 -7.554 1.698 -2.338 791 1HB LYS 101 2HB LYS 101 -9.130 -0.138 -1.964 792 2HB LYS 101 1HB LYS 101 -10.459 0.874 -2.513 793 1HG LYS 101 2HG LYS 101 -9.535 0.955 -4.740 794 2HG LYS 101 1HG LYS 101 -8.111 0.056 -4.211 795 1HD LYS 101 2HD LYS 101 -9.600 -1.465 -5.321 796 2HD LYS 101 1HD LYS 101 -9.609 -1.834 -3.596 797 1HE LYS 101 2HE LYS 101 -11.633 0.102 -4.531 798 2HE LYS 101 1HE LYS 101 -11.839 -1.562 -5.075 799 1HZ LYS 101 1HZ LYS 101 -12.309 -2.276 -3.003 800 2HZ LYS 101 2HZ LYS 101 -12.783 -0.670 -2.772 801 3HZ LYS 101 3HZ LYS 101 -11.260 -1.185 -2.249 802 H MET 102 H MET 102 -10.631 3.434 -2.192 803 HA MET 102 HA MET 102 -10.485 4.495 -4.811 804 1HB MET 102 2HB MET 102 -12.604 4.350 -3.616 805 2HB MET 102 1HB MET 102 -12.009 5.460 -2.390 806 1HG MET 102 2HG MET 102 -13.282 6.855 -3.670 807 2HG MET 102 1HG MET 102 -11.699 7.078 -4.409 808 1HE MET 102 1HE MET 102 -15.555 5.843 -5.931 809 2HE MET 102 2HE MET 102 -14.961 5.519 -4.302 810 3HE MET 102 3HE MET 102 -14.896 4.257 -5.532 811 H THR 103 H THR 103 -9.416 5.627 -1.687 812 HA THR 103 HA THR 103 -8.645 8.209 -2.601 813 HB THR 103 HB THR 103 -8.641 6.731 -0.088 814 HG1 THR 103 HG1 THR 103 -9.895 8.458 -0.088 815 1HG2 THR 103 1HG2 THR 103 -6.889 8.042 1.016 816 2HG2 THR 103 2HG2 THR 103 -6.348 8.622 -0.559 817 3HG2 THR 103 3HG2 THR 103 -6.241 6.906 -0.166 818 H LEU 104 H LEU 104 -7.087 5.098 -2.246 819 HA LEU 104 HA LEU 104 -4.433 6.014 -2.702 820 1HB LEU 104 2HB LEU 104 -5.744 3.311 -2.905 821 2HB LEU 104 1HB LEU 104 -4.051 3.556 -3.293 822 HG LEU 104 HG LEU 104 -5.260 4.220 -0.610 823 1HD1 LEU 104 1HD1 LEU 104 -3.695 1.773 -1.416 824 2HD1 LEU 104 2HD1 LEU 104 -5.427 1.813 -1.089 825 3HD1 LEU 104 3HD1 LEU 104 -4.278 2.162 0.203 826 1HD2 LEU 104 1HD2 LEU 104 -2.913 4.240 0.112 827 2HD2 LEU 104 2HD2 LEU 104 -3.235 5.456 -1.123 828 3HD2 LEU 104 3HD2 LEU 104 -2.406 3.960 -1.553 829 H GLN 105 H GLN 105 -7.084 4.992 -4.761 830 HA GLN 105 HA GLN 105 -5.577 4.714 -7.142 831 1HB GLN 105 2HB GLN 105 -8.498 5.133 -6.575 832 2HB GLN 105 1HB GLN 105 -7.889 5.107 -8.225 833 1HG GLN 105 2HG GLN 105 -7.052 2.860 -7.915 834 2HG GLN 105 1HG GLN 105 -7.558 2.880 -6.226 835 1HE2 GLN 105 1HE2 GLN 105 -8.573 2.605 -9.522 836 2HE2 GLN 105 2HE2 GLN 105 -10.198 2.117 -9.202 837 H GLN 106 H GLN 106 -7.117 7.417 -5.571 838 HA GLN 106 HA GLN 106 -6.962 9.231 -7.728 839 1HB GLN 106 2HB GLN 106 -7.039 9.705 -4.744 840 2HB GLN 106 1HB GLN 106 -7.140 10.991 -5.938 841 1HG GLN 106 2HG GLN 106 -9.169 9.907 -6.859 842 2HG GLN 106 1HG GLN 106 -9.090 8.735 -5.546 843 1HE2 GLN 106 1HE2 GLN 106 -8.620 10.059 -3.353 844 2HE2 GLN 106 2HE2 GLN 106 -9.800 11.283 -3.050 845 H ILE 107 H ILE 107 -4.743 8.395 -5.123 846 HA ILE 107 HA ILE 107 -2.814 10.378 -5.553 847 HB ILE 107 HB ILE 107 -2.426 7.533 -4.606 848 1HG1 ILE 107 2HG1 ILE 107 -2.555 10.040 -2.935 849 2HG1 ILE 107 1HG1 ILE 107 -3.989 9.090 -3.313 850 1HG2 ILE 107 1HG2 ILE 107 -0.501 9.346 -3.546 851 2HG2 ILE 107 2HG2 ILE 107 -0.499 9.474 -5.306 852 3HG2 ILE 107 3HG2 ILE 107 -0.246 7.907 -4.536 853 1HD1 ILE 107 1HD1 ILE 107 -2.064 7.286 -2.351 854 2HD1 ILE 107 2HD1 ILE 107 -3.551 7.818 -1.565 855 3HD1 ILE 107 3HD1 ILE 107 -2.042 8.683 -1.274 856 H ILE 108 H ILE 108 -3.228 7.177 -6.974 857 HA ILE 108 HA ILE 108 -0.955 6.980 -8.545 858 HB ILE 108 HB ILE 108 -3.657 6.157 -9.565 859 1HG1 ILE 108 2HG1 ILE 108 -3.742 5.368 -7.343 860 2HG1 ILE 108 1HG1 ILE 108 -3.251 3.986 -8.314 861 1HG2 ILE 108 1HG2 ILE 108 -2.219 4.159 -10.297 862 2HG2 ILE 108 2HG2 ILE 108 -0.848 5.216 -9.951 863 3HG2 ILE 108 3HG2 ILE 108 -2.048 5.692 -11.153 864 1HD1 ILE 108 1HD1 ILE 108 -1.094 4.011 -7.486 865 2HD1 ILE 108 2HD1 ILE 108 -2.067 4.437 -6.078 866 3HD1 ILE 108 3HD1 ILE 108 -1.205 5.694 -6.965 867 H SER 109 H SER 109 -4.083 8.284 -9.373 868 HA SER 109 HA SER 109 -3.550 9.159 -11.954 869 1HB SER 109 2HB SER 109 -5.814 9.073 -10.943 870 2HB SER 109 1HB SER 109 -5.404 10.482 -9.964 871 HG SER 109 HG SER 109 -5.377 10.417 -12.802 872 H ARG 110 H ARG 110 -2.707 10.582 -8.911 873 HA ARG 110 HA ARG 110 -2.087 13.165 -9.903 874 1HB ARG 110 2HB ARG 110 -1.070 11.822 -7.399 875 2HB ARG 110 1HB ARG 110 -1.013 13.544 -7.746 876 1HG ARG 110 2HG ARG 110 -3.678 12.289 -7.855 877 2HG ARG 110 1HG ARG 110 -2.921 12.387 -6.264 878 1HD ARG 110 2HD ARG 110 -2.761 14.736 -6.374 879 2HD ARG 110 1HD ARG 110 -3.098 14.756 -8.104 880 HE ARG 110 HE ARG 110 -5.323 14.780 -7.613 881 1HH1 ARG 110 1HH1 ARG 110 -3.598 13.590 -4.822 882 2HH1 ARG 110 2HH1 ARG 110 -5.008 13.533 -3.819 883 1HH2 ARG 110 1HH2 ARG 110 -7.179 14.705 -6.295 884 2HH2 ARG 110 2HH2 ARG 110 -7.042 14.166 -4.654 885 H TYR 111 H TYR 111 -0.317 10.196 -9.525 886 HA TYR 111 HA TYR 111 2.255 11.326 -10.029 887 1HB TYR 111 2HB TYR 111 1.181 8.523 -9.960 888 2HB TYR 111 1HB TYR 111 2.819 8.843 -10.521 889 HD1 TYR 111 HD1 TYR 111 4.392 10.090 -8.934 890 HD2 TYR 111 HD2 TYR 111 0.723 8.346 -7.671 891 HE1 TYR 111 HE1 TYR 111 5.188 10.116 -6.607 892 HE2 TYR 111 HE2 TYR 111 1.510 8.365 -5.342 893 HH TYR 111 HH TYR 111 3.712 8.386 -4.141 894 H LYS 112 H LYS 112 -0.335 10.143 -11.982 895 HA LYS 112 HA LYS 112 1.152 9.796 -14.379 896 1HB LYS 112 2HB LYS 112 -1.814 10.267 -14.039 897 2HB LYS 112 1HB LYS 112 -1.021 9.634 -15.477 898 1HG LYS 112 2HG LYS 112 -1.129 8.295 -12.780 899 2HG LYS 112 1HG LYS 112 -2.079 7.858 -14.202 900 1HD LYS 112 2HD LYS 112 -0.428 6.557 -14.927 901 2HD LYS 112 1HD LYS 112 0.674 7.936 -14.940 902 1HE LYS 112 2HE LYS 112 1.812 6.786 -13.389 903 2HE LYS 112 1HE LYS 112 0.556 7.339 -12.282 904 1HZ LYS 112 1HZ LYS 112 0.389 4.797 -13.799 905 2HZ LYS 112 2HZ LYS 112 -0.608 5.304 -12.531 906 3HZ LYS 112 3HZ LYS 112 1.007 4.906 -12.228 907 H ASP 113 H ASP 113 -0.518 12.470 -12.862 908 HA ASP 113 HA ASP 113 -0.732 14.201 -15.045 909 1HB ASP 113 2HB ASP 113 -1.769 14.547 -12.792 910 2HB ASP 113 1HB ASP 113 -0.180 14.996 -12.179 911 H ALA 114 H ALA 114 1.927 13.729 -12.747 912 HA ALA 114 HA ALA 114 3.589 15.760 -13.794 913 1HB ALA 114 1HB ALA 114 5.412 14.391 -12.604 914 2HB ALA 114 2HB ALA 114 4.080 13.376 -12.047 915 3HB ALA 114 3HB ALA 114 4.119 15.089 -11.628 916 H ASP 115 H ASP 115 3.487 12.250 -14.325 917 HA ASP 115 HA ASP 115 4.348 10.923 -15.960 918 1HB ASP 115 2HB ASP 115 3.849 13.504 -17.398 919 2HB ASP 115 1HB ASP 115 4.659 12.183 -18.238 Start of MODEL 10 1 HT1 PRO 1 HT2 PRO 1 -12.396 12.122 6.767 2 HT2 PRO 1 HT1 PRO 1 -13.022 10.561 6.493 3 HA PRO 1 HA PRO 1 -10.416 11.354 6.895 4 1HB PRO 1 2HB PRO 1 -10.923 9.215 8.849 5 2HB PRO 1 1HB PRO 1 -9.882 10.637 8.977 6 1HG PRO 1 2HG PRO 1 -12.244 10.435 10.296 7 2HG PRO 1 1HG PRO 1 -11.578 11.981 9.745 8 1HD PRO 1 2HD PRO 1 -13.799 10.349 8.589 9 2HD PRO 1 1HD PRO 1 -13.612 12.112 8.657 10 H SER 2 H SER 2 -11.922 10.239 4.851 11 HA SER 2 HA SER 2 -11.907 7.450 4.677 12 1HB SER 2 2HB SER 2 -11.564 9.431 2.413 13 2HB SER 2 1HB SER 2 -12.102 7.759 2.262 14 HG SER 2 HG SER 2 -13.724 9.596 2.396 15 H HIS 3 H HIS 3 -9.387 9.815 4.063 16 HA HIS 3 HA HIS 3 -7.562 8.183 2.717 17 1HB HIS 3 2HB HIS 3 -7.240 10.613 4.456 18 2HB HIS 3 1HB HIS 3 -5.837 9.790 3.781 19 HD1 HIS 3 HD1 HIS 3 -8.637 12.049 2.887 20 HD2 HIS 3 HD2 HIS 3 -5.598 9.974 0.958 21 HE1 HIS 3 HE1 HIS 3 -8.528 13.019 0.571 22 HE2 HIS 3 HE2 HIS 3 -6.624 11.808 -0.550 23 H SER 4 H SER 4 -8.476 8.279 6.035 24 HA SER 4 HA SER 4 -6.315 6.383 6.688 25 1HB SER 4 2HB SER 4 -6.555 7.113 9.036 26 2HB SER 4 1HB SER 4 -6.123 8.455 7.976 27 HG SER 4 HG SER 4 -8.305 9.087 7.994 28 H GLY 5 H GLY 5 -6.895 4.384 7.168 29 1HA GLY 5 2HA GLY 5 -9.424 3.821 8.472 30 2HA GLY 5 1HA GLY 5 -9.277 3.199 6.835 31 H ALA 6 H ALA 6 -9.565 1.700 9.317 32 HA ALA 6 HA ALA 6 -7.100 0.609 10.127 33 1HB ALA 6 1HB ALA 6 -8.426 -1.217 11.089 34 2HB ALA 6 2HB ALA 6 -9.854 -0.604 10.253 35 3HB ALA 6 3HB ALA 6 -9.074 0.371 11.500 36 H ALA 7 H ALA 7 -5.939 -1.116 9.455 37 HA ALA 7 HA ALA 7 -6.925 -2.915 7.443 38 1HB ALA 7 1HB ALA 7 -6.264 -0.991 6.080 39 2HB ALA 7 2HB ALA 7 -5.256 -2.402 5.753 40 3HB ALA 7 3HB ALA 7 -4.635 -1.085 6.751 41 H ILE 8 H ILE 8 -5.694 -4.800 7.215 42 HA ILE 8 HA ILE 8 -3.732 -5.214 9.345 43 HB ILE 8 HB ILE 8 -4.938 -7.267 7.500 44 1HG1 ILE 8 2HG1 ILE 8 -5.802 -6.731 10.331 45 2HG1 ILE 8 1HG1 ILE 8 -6.593 -5.980 8.944 46 1HG2 ILE 8 1HG2 ILE 8 -2.751 -7.617 8.948 47 2HG2 ILE 8 2HG2 ILE 8 -3.950 -8.891 8.749 48 3HG2 ILE 8 3HG2 ILE 8 -3.939 -7.914 10.216 49 1HD1 ILE 8 1HD1 ILE 8 -7.535 -8.174 9.933 50 2HD1 ILE 8 2HD1 ILE 8 -6.220 -8.929 9.025 51 3HD1 ILE 8 3HD1 ILE 8 -7.438 -7.965 8.182 52 H PHE 9 H PHE 9 -1.686 -5.916 9.005 53 HA PHE 9 HA PHE 9 -0.770 -6.437 6.293 54 1HB PHE 9 2HB PHE 9 -0.438 -4.024 6.554 55 2HB PHE 9 1HB PHE 9 0.469 -4.298 8.034 56 HD1 PHE 9 HD1 PHE 9 2.716 -3.976 7.794 57 HD2 PHE 9 HD2 PHE 9 0.531 -5.690 4.573 58 HE1 PHE 9 HE1 PHE 9 4.795 -4.158 6.489 59 HE2 PHE 9 HE2 PHE 9 2.605 -5.877 3.259 60 HZ PHE 9 HZ PHE 9 4.740 -5.110 4.218 61 H GLU 10 H GLU 10 -0.018 -8.420 6.585 62 HA GLU 10 HA GLU 10 1.441 -10.059 7.188 63 1HB GLU 10 2HB GLU 10 2.570 -8.159 9.237 64 2HB GLU 10 1HB GLU 10 3.315 -9.626 8.625 65 1HG GLU 10 2HG GLU 10 3.440 -8.586 6.390 66 2HG GLU 10 1HG GLU 10 2.794 -7.098 7.080 67 H LYS 11 H LYS 11 -1.069 -10.197 8.102 68 HA LYS 11 HA LYS 11 -2.393 -11.240 9.583 69 1HB LYS 11 2HB LYS 11 0.325 -12.168 10.317 70 2HB LYS 11 1HB LYS 11 -1.019 -12.596 11.371 71 1HG LYS 11 2HG LYS 11 -2.080 -13.833 9.698 72 2HG LYS 11 1HG LYS 11 -1.122 -13.079 8.419 73 1HD LYS 11 2HD LYS 11 0.058 -14.847 10.557 74 2HD LYS 11 1HD LYS 11 -0.491 -15.451 8.992 75 1HE LYS 11 2HE LYS 11 1.304 -13.127 8.868 76 2HE LYS 11 1HE LYS 11 2.033 -14.591 9.525 77 1HZ LYS 11 1HZ LYS 11 2.274 -14.391 7.099 78 2HZ LYS 11 2HZ LYS 11 0.592 -14.450 6.933 79 3HZ LYS 11 3HZ LYS 11 1.426 -15.785 7.550 80 H VAL 12 H VAL 12 -0.972 -8.502 10.299 81 HA VAL 12 HA VAL 12 -1.999 -8.484 13.031 82 HB VAL 12 HB VAL 12 0.303 -6.826 12.002 83 1HG1 VAL 12 1HG1 VAL 12 0.240 -5.612 13.889 84 2HG1 VAL 12 2HG1 VAL 12 -0.162 -7.009 14.888 85 3HG1 VAL 12 3HG1 VAL 12 -1.430 -6.168 13.998 86 1HG2 VAL 12 1HG2 VAL 12 1.387 -8.246 13.985 87 2HG2 VAL 12 2HG2 VAL 12 1.383 -8.794 12.309 88 3HG2 VAL 12 3HG2 VAL 12 0.176 -9.406 13.440 89 H SER 13 H SER 13 -3.414 -6.843 13.517 90 HA SER 13 HA SER 13 -4.218 -5.207 11.225 91 1HB SER 13 2HB SER 13 -5.926 -6.660 12.325 92 2HB SER 13 1HB SER 13 -5.734 -5.708 13.797 93 HG SER 13 HG SER 13 -7.181 -5.161 11.584 94 H GLY 14 H GLY 14 -4.419 -3.041 11.288 95 1HA GLY 14 2HA GLY 14 -3.996 -1.518 13.693 96 2HA GLY 14 1HA GLY 14 -2.628 -1.474 12.586 97 H ILE 15 H ILE 15 -3.546 0.908 12.944 98 HA ILE 15 HA ILE 15 -5.683 1.471 11.052 99 HB ILE 15 HB ILE 15 -4.190 3.267 12.956 100 1HG1 ILE 15 2HG1 ILE 15 -6.385 1.492 13.248 101 2HG1 ILE 15 1HG1 ILE 15 -5.733 2.613 14.441 102 1HG2 ILE 15 1HG2 ILE 15 -5.846 5.000 12.334 103 2HG2 ILE 15 2HG2 ILE 15 -6.422 3.947 11.042 104 3HG2 ILE 15 3HG2 ILE 15 -4.770 4.565 11.004 105 1HD1 ILE 15 1HD1 ILE 15 -7.232 4.367 13.498 106 2HD1 ILE 15 2HD1 ILE 15 -8.073 3.001 14.233 107 3HD1 ILE 15 3HD1 ILE 15 -7.953 3.121 12.477 108 H ILE 16 H ILE 16 -5.362 2.063 9.056 109 HA ILE 16 HA ILE 16 -2.652 2.708 8.163 110 HB ILE 16 HB ILE 16 -4.882 1.189 7.087 111 1HG1 ILE 16 2HG1 ILE 16 -1.955 1.480 6.422 112 2HG1 ILE 16 1HG1 ILE 16 -2.739 0.212 7.351 113 1HG2 ILE 16 1HG2 ILE 16 -3.712 3.323 5.310 114 2HG2 ILE 16 2HG2 ILE 16 -5.409 3.021 5.674 115 3HG2 ILE 16 3HG2 ILE 16 -4.503 1.874 4.690 116 1HD1 ILE 16 1HD1 ILE 16 -2.211 0.322 4.559 117 2HD1 ILE 16 2HD1 ILE 16 -3.953 0.217 4.816 118 3HD1 ILE 16 3HD1 ILE 16 -2.884 -1.000 5.513 119 H ALA 17 H ALA 17 -2.155 4.740 7.707 120 HA ALA 17 HA ALA 17 -4.322 6.598 6.974 121 1HB ALA 17 1HB ALA 17 -3.450 7.175 9.152 122 2HB ALA 17 2HB ALA 17 -2.965 8.396 7.975 123 3HB ALA 17 3HB ALA 17 -1.803 7.186 8.522 124 H ILE 18 H ILE 18 -4.002 7.950 5.249 125 HA ILE 18 HA ILE 18 -1.616 7.393 3.628 126 HB ILE 18 HB ILE 18 -4.471 7.760 2.986 127 1HG1 ILE 18 2HG1 ILE 18 -2.268 6.470 1.379 128 2HG1 ILE 18 1HG1 ILE 18 -3.061 5.666 2.732 129 1HG2 ILE 18 1HG2 ILE 18 -2.334 9.111 1.378 130 2HG2 ILE 18 2HG2 ILE 18 -3.878 9.752 1.937 131 3HG2 ILE 18 3HG2 ILE 18 -3.838 8.554 0.643 132 1HD1 ILE 18 1HD1 ILE 18 -4.141 6.375 0.051 133 2HD1 ILE 18 2HD1 ILE 18 -5.238 6.234 1.424 134 3HD1 ILE 18 3HD1 ILE 18 -4.246 4.859 0.945 135 H ASN 19 H ASN 19 -0.144 8.943 3.874 136 HA ASN 19 HA ASN 19 -1.041 11.723 4.179 137 1HB ASN 19 2HB ASN 19 1.630 10.430 4.771 138 2HB ASN 19 1HB ASN 19 1.298 12.151 4.944 139 1HD2 ASN 19 1HD2 ASN 19 2.180 10.542 7.033 140 2HD2 ASN 19 2HD2 ASN 19 0.927 10.438 8.219 141 H GLU 20 H GLU 20 -1.184 12.750 2.296 142 HA GLU 20 HA GLU 20 0.651 12.063 0.135 143 1HB GLU 20 2HB GLU 20 -0.848 13.702 -1.161 144 2HB GLU 20 1HB GLU 20 -1.543 12.162 -0.672 145 1HG GLU 20 2HG GLU 20 -2.983 13.115 0.785 146 2HG GLU 20 1HG GLU 20 -1.876 14.423 1.199 147 H ASP 21 H ASP 21 0.305 14.406 2.575 148 HA ASP 21 HA ASP 21 1.293 16.714 1.390 149 1HB ASP 21 2HB ASP 21 1.676 15.649 4.193 150 2HB ASP 21 1HB ASP 21 2.157 17.269 3.692 151 H VAL 22 H VAL 22 2.874 13.751 2.110 152 HA VAL 22 HA VAL 22 5.535 14.821 2.009 153 HB VAL 22 HB VAL 22 4.994 11.935 1.713 154 1HG1 VAL 22 1HG1 VAL 22 7.158 13.672 2.693 155 2HG1 VAL 22 2HG1 VAL 22 7.238 12.150 1.806 156 3HG1 VAL 22 3HG1 VAL 22 6.934 12.142 3.543 157 1HG2 VAL 22 1HG2 VAL 22 5.084 12.098 4.391 158 2HG2 VAL 22 2HG2 VAL 22 3.581 12.027 3.473 159 3HG2 VAL 22 3HG2 VAL 22 4.205 13.583 4.021 160 H SER 23 H SER 23 7.101 14.263 0.399 161 HA SER 23 HA SER 23 5.993 13.357 -2.159 162 1HB SER 23 2HB SER 23 7.729 15.213 -3.058 163 2HB SER 23 1HB SER 23 6.019 15.544 -2.784 164 HG SER 23 HG SER 23 7.776 16.958 -1.785 165 HA PRO 24 HA PRO 24 6.189 11.813 -3.356 166 1HB PRO 24 2HB PRO 24 6.491 9.130 -3.206 167 2HB PRO 24 1HB PRO 24 7.291 10.110 -4.442 168 1HG PRO 24 2HG PRO 24 8.392 9.032 -1.874 169 2HG PRO 24 1HG PRO 24 9.136 9.064 -3.483 170 1HD PRO 24 2HD PRO 24 9.746 10.867 -1.553 171 2HD PRO 24 1HD PRO 24 9.776 11.268 -3.282 172 H ALA 25 H ALA 25 4.220 11.135 -2.570 173 HA ALA 25 HA ALA 25 3.690 11.316 0.148 174 1HB ALA 25 1HB ALA 25 2.117 10.058 -2.088 175 2HB ALA 25 2HB ALA 25 1.906 11.653 -1.367 176 3HB ALA 25 3HB ALA 25 1.493 10.207 -0.445 177 H GLU 26 H GLU 26 2.515 9.489 1.412 178 HA GLU 26 HA GLU 26 3.574 6.837 0.940 179 1HB GLU 26 2HB GLU 26 4.391 8.396 3.395 180 2HB GLU 26 1HB GLU 26 4.686 6.682 3.141 181 1HG GLU 26 2HG GLU 26 6.038 7.251 1.152 182 2HG GLU 26 1HG GLU 26 5.809 8.958 1.526 183 H LEU 27 H LEU 27 2.740 5.231 2.391 184 HA LEU 27 HA LEU 27 0.215 6.037 3.678 185 1HB LEU 27 2HB LEU 27 -0.548 4.662 2.020 186 2HB LEU 27 1HB LEU 27 0.952 3.764 1.922 187 HG LEU 27 HG LEU 27 0.341 2.510 3.944 188 1HD1 LEU 27 1HD1 LEU 27 -1.913 2.705 4.867 189 2HD1 LEU 27 2HD1 LEU 27 -2.237 4.065 3.792 190 3HD1 LEU 27 3HD1 LEU 27 -1.008 4.206 5.048 191 1HD2 LEU 27 1HD2 LEU 27 -1.848 1.499 2.892 192 2HD2 LEU 27 2HD2 LEU 27 -0.282 1.299 2.106 193 3HD2 LEU 27 3HD2 LEU 27 -1.404 2.534 1.534 194 H THR 28 H THR 28 0.394 5.998 5.841 195 HA THR 28 HA THR 28 2.397 4.382 7.120 196 HB THR 28 HB THR 28 0.578 5.931 8.783 197 HG1 THR 28 HG1 THR 28 2.092 7.313 6.836 198 1HG2 THR 28 1HG2 THR 28 2.795 5.181 9.510 199 2HG2 THR 28 2HG2 THR 28 2.601 6.931 9.604 200 3HG2 THR 28 3HG2 THR 28 3.512 6.215 8.276 201 H TRP 29 H TRP 29 1.996 2.833 8.671 202 HA TRP 29 HA TRP 29 -0.765 1.971 9.084 203 1HB TRP 29 2HB TRP 29 0.168 0.497 7.370 204 2HB TRP 29 1HB TRP 29 1.561 0.160 8.397 205 HD1 TRP 29 HD1 TRP 29 -2.243 0.028 9.083 206 HE1 TRP 29 HE1 TRP 29 -2.790 -2.257 10.155 207 HE3 TRP 29 HE3 TRP 29 2.443 -2.007 9.082 208 HZ2 TRP 29 HZ2 TRP 29 -1.407 -4.582 10.901 209 HZ3 TRP 29 HZ3 TRP 29 2.743 -4.274 10.002 210 HH2 TRP 29 HH2 TRP 29 0.844 -5.540 10.890 211 H ARG 30 H ARG 30 -1.099 2.188 11.201 212 HA ARG 30 HA ARG 30 1.124 1.558 13.032 213 1HB ARG 30 2HB ARG 30 0.084 3.843 13.172 214 2HB ARG 30 1HB ARG 30 -1.420 3.074 13.661 215 1HG ARG 30 2HG ARG 30 -0.299 2.151 15.633 216 2HG ARG 30 1HG ARG 30 1.198 2.947 15.145 217 1HD ARG 30 2HD ARG 30 0.161 4.312 16.800 218 2HD ARG 30 1HD ARG 30 -0.022 5.125 15.246 219 HE ARG 30 HE ARG 30 -2.122 3.957 16.874 220 1HH1 ARG 30 1HH1 ARG 30 -1.219 5.304 13.778 221 2HH1 ARG 30 2HH1 ARG 30 -2.849 5.664 13.322 222 1HH2 ARG 30 1HH2 ARG 30 -4.264 4.431 16.269 223 2HH2 ARG 30 2HH2 ARG 30 -4.576 5.170 14.734 224 H SER 31 H SER 31 1.004 -0.286 14.191 225 HA SER 31 HA SER 31 -1.109 -2.099 13.862 226 1HB SER 31 2HB SER 31 1.254 -2.695 14.464 227 2HB SER 31 1HB SER 31 0.930 -2.109 16.097 228 HG SER 31 HG SER 31 -0.848 -3.676 16.089 229 H THR 32 H THR 32 -2.582 -2.927 15.435 230 HA THR 32 HA THR 32 -4.132 -1.021 16.709 231 HB THR 32 HB THR 32 -3.906 -3.963 16.641 232 HG1 THR 32 HG1 THR 32 -5.964 -2.066 16.251 233 1HG2 THR 32 1HG2 THR 32 -4.215 -3.775 18.974 234 2HG2 THR 32 2HG2 THR 32 -5.749 -4.248 18.249 235 3HG2 THR 32 3HG2 THR 32 -5.494 -2.582 18.768 236 H ASP 33 H ASP 33 -1.451 -2.915 17.793 237 HA ASP 33 HA ASP 33 -1.737 -2.488 20.571 238 1HB ASP 33 2HB ASP 33 0.699 -3.168 18.920 239 2HB ASP 33 1HB ASP 33 0.674 -3.161 20.682 240 H GLY 34 H GLY 34 -0.240 -0.671 18.017 241 1HA GLY 34 2HA GLY 34 0.276 1.594 18.001 242 2HA GLY 34 1HA GLY 34 -0.070 1.657 19.724 243 H ASP 35 H ASP 35 2.049 -0.778 18.523 244 HA ASP 35 HA ASP 35 4.336 0.695 19.633 245 1HB ASP 35 2HB ASP 35 3.659 -1.259 20.995 246 2HB ASP 35 1HB ASP 35 3.922 -2.300 19.599 247 H LYS 36 H LYS 36 3.050 -0.854 16.877 248 HA LYS 36 HA LYS 36 5.684 -0.707 15.569 249 1HB LYS 36 2HB LYS 36 3.766 -2.899 15.691 250 2HB LYS 36 1HB LYS 36 4.176 -2.465 14.037 251 1HG LYS 36 2HG LYS 36 5.724 -4.107 14.593 252 2HG LYS 36 1HG LYS 36 6.613 -2.596 14.802 253 1HD LYS 36 2HD LYS 36 6.226 -2.677 17.202 254 2HD LYS 36 1HD LYS 36 5.270 -4.148 17.015 255 1HE LYS 36 2HE LYS 36 8.221 -3.773 16.586 256 2HE LYS 36 1HE LYS 36 7.410 -4.854 17.719 257 1HZ LYS 36 1HZ LYS 36 6.493 -6.012 15.703 258 2HZ LYS 36 2HZ LYS 36 8.159 -6.180 15.943 259 3HZ LYS 36 3HZ LYS 36 7.579 -5.106 14.772 260 H VAL 37 H VAL 37 5.797 0.661 13.927 261 HA VAL 37 HA VAL 37 3.306 1.425 12.553 262 HB VAL 37 HB VAL 37 5.585 3.311 13.166 263 1HG1 VAL 37 1HG1 VAL 37 3.874 5.023 12.489 264 2HG1 VAL 37 2HG1 VAL 37 2.875 3.692 11.909 265 3HG1 VAL 37 3HG1 VAL 37 4.456 3.989 11.185 266 1HG2 VAL 37 1HG2 VAL 37 3.508 4.305 14.555 267 2HG2 VAL 37 2HG2 VAL 37 4.718 3.227 15.250 268 3HG2 VAL 37 3HG2 VAL 37 3.172 2.580 14.698 269 H HIS 38 H HIS 38 3.369 0.959 10.476 270 HA HIS 38 HA HIS 38 5.991 0.759 9.150 271 1HB HIS 38 2HB HIS 38 4.597 -1.313 9.220 272 2HB HIS 38 1HB HIS 38 3.398 -0.477 8.246 273 HD1 HIS 38 HD1 HIS 38 6.077 -2.755 7.877 274 HD2 HIS 38 HD2 HIS 38 4.747 0.532 5.712 275 HE1 HIS 38 HE1 HIS 38 7.059 -3.023 5.577 276 HE2 HIS 38 HE2 HIS 38 6.177 -1.063 4.263 277 H THR 39 H THR 39 6.370 1.761 7.254 278 HA THR 39 HA THR 39 4.317 3.665 6.328 279 HB THR 39 HB THR 39 7.303 4.085 6.160 280 HG1 THR 39 HG1 THR 39 5.480 5.130 8.064 281 1HG2 THR 39 1HG2 THR 39 6.747 6.416 5.817 282 2HG2 THR 39 2HG2 THR 39 5.027 6.034 5.906 283 3HG2 THR 39 3HG2 THR 39 6.003 5.409 4.576 284 H VAL 40 H VAL 40 3.857 3.717 4.193 285 HA VAL 40 HA VAL 40 5.459 1.982 2.427 286 HB VAL 40 HB VAL 40 2.507 2.531 2.134 287 1HG1 VAL 40 1HG1 VAL 40 2.968 0.239 0.810 288 2HG1 VAL 40 2HG1 VAL 40 4.528 1.034 0.594 289 3HG1 VAL 40 3HG1 VAL 40 3.049 1.832 0.058 290 1HG2 VAL 40 1HG2 VAL 40 3.696 -0.045 3.118 291 2HG2 VAL 40 2HG2 VAL 40 2.012 0.476 3.152 292 3HG2 VAL 40 3HG2 VAL 40 3.192 1.234 4.222 293 H VAL 41 H VAL 41 5.727 2.627 0.265 294 HA VAL 41 HA VAL 41 5.544 5.520 -0.121 295 HB VAL 41 HB VAL 41 6.915 3.525 -1.926 296 1HG1 VAL 41 1HG1 VAL 41 6.957 6.512 -1.651 297 2HG1 VAL 41 2HG1 VAL 41 6.659 5.534 -3.088 298 3HG1 VAL 41 3HG1 VAL 41 8.287 5.639 -2.415 299 1HG2 VAL 41 1HG2 VAL 41 8.960 3.910 -0.767 300 2HG2 VAL 41 2HG2 VAL 41 7.758 3.446 0.437 301 3HG2 VAL 41 3HG2 VAL 41 8.218 5.138 0.259 302 H LEU 42 H LEU 42 3.990 6.388 -1.323 303 HA LEU 42 HA LEU 42 2.239 4.661 -2.862 304 1HB LEU 42 2HB LEU 42 2.015 7.640 -2.488 305 2HB LEU 42 1HB LEU 42 0.753 6.528 -2.986 306 HG LEU 42 HG LEU 42 1.995 6.775 -0.249 307 1HD1 LEU 42 1HD1 LEU 42 -0.919 6.856 -0.685 308 2HD1 LEU 42 2HD1 LEU 42 -0.001 8.228 -1.305 309 3HD1 LEU 42 3HD1 LEU 42 0.097 7.802 0.403 310 1HD2 LEU 42 1HD2 LEU 42 1.667 4.540 -0.162 311 2HD2 LEU 42 2HD2 LEU 42 0.528 4.546 -1.509 312 3HD2 LEU 42 3HD2 LEU 42 -0.012 5.017 0.102 313 H SER 43 H SER 43 4.981 6.536 -3.480 314 HA SER 43 HA SER 43 4.264 7.352 -6.147 315 1HB SER 43 2HB SER 43 5.815 8.790 -5.108 316 2HB SER 43 1HB SER 43 6.806 7.450 -4.534 317 HG SER 43 HG SER 43 7.571 7.137 -6.574 318 H THR 44 H THR 44 5.806 4.628 -4.633 319 HA THR 44 HA THR 44 6.894 3.611 -7.102 320 HB THR 44 HB THR 44 8.047 3.221 -4.961 321 HG1 THR 44 HG1 THR 44 8.744 1.446 -5.799 322 1HG2 THR 44 1HG2 THR 44 5.978 2.930 -3.582 323 2HG2 THR 44 2HG2 THR 44 7.251 1.743 -3.301 324 3HG2 THR 44 3HG2 THR 44 5.839 1.312 -4.266 325 H ILE 45 H ILE 45 3.919 3.434 -5.429 326 HA ILE 45 HA ILE 45 3.014 0.892 -6.231 327 HB ILE 45 HB ILE 45 1.308 3.340 -5.779 328 1HG1 ILE 45 2HG1 ILE 45 2.766 3.036 -3.864 329 2HG1 ILE 45 1HG1 ILE 45 1.138 2.520 -3.436 330 1HG2 ILE 45 1HG2 ILE 45 -0.391 1.675 -5.109 331 2HG2 ILE 45 2HG2 ILE 45 0.711 0.391 -5.602 332 3HG2 ILE 45 3HG2 ILE 45 0.090 1.528 -6.799 333 1HD1 ILE 45 1HD1 ILE 45 2.552 0.906 -2.521 334 2HD1 ILE 45 2HD1 ILE 45 3.554 0.833 -3.971 335 3HD1 ILE 45 3HD1 ILE 45 1.924 0.164 -3.992 336 H ASP 46 H ASP 46 3.445 0.480 -8.372 337 HA ASP 46 HA ASP 46 2.892 2.221 -10.509 338 1HB ASP 46 2HB ASP 46 4.398 0.225 -10.620 339 2HB ASP 46 1HB ASP 46 2.968 -0.802 -10.595 340 H LYS 47 H LYS 47 0.917 -0.066 -8.756 341 HA LYS 47 HA LYS 47 -1.472 1.032 -9.928 342 1HB LYS 47 2HB LYS 47 -0.724 -1.852 -10.435 343 2HB LYS 47 1HB LYS 47 -2.342 -1.200 -10.665 344 1HG LYS 47 2HG LYS 47 -1.354 0.425 -12.295 345 2HG LYS 47 1HG LYS 47 0.161 -0.469 -12.162 346 1HD LYS 47 2HD LYS 47 -2.475 -1.682 -12.985 347 2HD LYS 47 1HD LYS 47 -1.229 -1.140 -14.111 348 1HE LYS 47 2HE LYS 47 -0.625 -3.324 -13.967 349 2HE LYS 47 1HE LYS 47 0.272 -2.714 -12.578 350 1HZ LYS 47 1HZ LYS 47 -1.284 -4.794 -12.383 351 2HZ LYS 47 2HZ LYS 47 -2.480 -3.620 -12.159 352 3HZ LYS 47 3HZ LYS 47 -1.154 -3.683 -11.112 353 H LEU 48 H LEU 48 -3.455 -0.077 -8.996 354 HA LEU 48 HA LEU 48 -2.882 -1.067 -6.281 355 1HB LEU 48 2HB LEU 48 -4.927 0.123 -5.535 356 2HB LEU 48 1HB LEU 48 -3.643 1.192 -6.068 357 HG LEU 48 HG LEU 48 -5.820 0.421 -7.974 358 1HD1 LEU 48 1HD1 LEU 48 -7.335 1.918 -7.157 359 2HD1 LEU 48 2HD1 LEU 48 -6.106 2.895 -6.353 360 3HD1 LEU 48 3HD1 LEU 48 -6.617 1.363 -5.644 361 1HD2 LEU 48 1HD2 LEU 48 -4.410 1.663 -9.209 362 2HD2 LEU 48 2HD2 LEU 48 -3.657 2.402 -7.797 363 3HD2 LEU 48 3HD2 LEU 48 -5.193 3.021 -8.402 364 H GLN 49 H GLN 49 -3.760 -2.973 -5.822 365 HA GLN 49 HA GLN 49 -6.014 -3.905 -7.478 366 1HB GLN 49 2HB GLN 49 -3.777 -5.519 -6.243 367 2HB GLN 49 1HB GLN 49 -5.161 -6.205 -7.082 368 1HG GLN 49 2HG GLN 49 -4.480 -5.035 -9.129 369 2HG GLN 49 1HG GLN 49 -3.072 -4.401 -8.281 370 1HE2 GLN 49 1HE2 GLN 49 -2.462 -5.695 -10.447 371 2HE2 GLN 49 2HE2 GLN 49 -1.868 -7.286 -10.131 372 H ALA 50 H ALA 50 -7.594 -5.231 -6.466 373 HA ALA 50 HA ALA 50 -7.561 -5.310 -3.540 374 1HB ALA 50 1HB ALA 50 -9.532 -3.838 -5.229 375 2HB ALA 50 2HB ALA 50 -8.789 -3.373 -3.698 376 3HB ALA 50 3HB ALA 50 -10.068 -4.587 -3.725 377 H THR 51 H THR 51 -9.349 -6.670 -2.668 378 HA THR 51 HA THR 51 -9.428 -9.157 -4.047 379 HB THR 51 HB THR 51 -11.198 -9.605 -2.132 380 HG1 THR 51 HG1 THR 51 -11.554 -7.843 -1.059 381 1HG2 THR 51 1HG2 THR 51 -9.280 -9.765 -0.459 382 2HG2 THR 51 2HG2 THR 51 -8.251 -9.229 -1.787 383 3HG2 THR 51 3HG2 THR 51 -9.172 -10.726 -1.934 384 HA PRO 52 HA PRO 52 -13.083 -8.679 -6.474 385 1HB PRO 52 2HB PRO 52 -13.949 -11.251 -6.592 386 2HB PRO 52 1HB PRO 52 -12.539 -10.669 -7.485 387 1HG PRO 52 2HG PRO 52 -12.653 -12.166 -4.895 388 2HG PRO 52 1HG PRO 52 -11.569 -12.403 -6.278 389 1HD PRO 52 2HD PRO 52 -10.808 -11.075 -4.047 390 2HD PRO 52 1HD PRO 52 -10.193 -10.659 -5.660 391 H ALA 53 H ALA 53 -15.348 -8.638 -6.358 392 HA ALA 53 HA ALA 53 -16.438 -8.325 -3.769 393 1HB ALA 53 1HB ALA 53 -17.606 -7.009 -5.180 394 2HB ALA 53 2HB ALA 53 -18.642 -8.433 -5.302 395 3HB ALA 53 3HB ALA 53 -17.425 -8.118 -6.540 396 H SER 54 H SER 54 -16.004 -11.091 -5.723 397 HA SER 54 HA SER 54 -18.179 -12.581 -4.498 398 1HB SER 54 2HB SER 54 -17.447 -12.820 -6.939 399 2HB SER 54 1HB SER 54 -16.050 -13.700 -6.317 400 HG SER 54 HG SER 54 -18.420 -14.671 -6.817 401 H SER 55 H SER 55 -15.190 -11.685 -3.495 402 HA SER 55 HA SER 55 -14.658 -14.217 -2.102 403 1HB SER 55 2HB SER 55 -12.904 -11.916 -2.910 404 2HB SER 55 1HB SER 55 -12.425 -12.977 -1.585 405 HG SER 55 HG SER 55 -11.574 -13.856 -3.416 406 H GLU 56 H GLU 56 -15.494 -14.303 -0.140 407 HA GLU 56 HA GLU 56 -16.470 -12.146 1.325 408 1HB GLU 56 2HB GLU 56 -17.053 -14.544 1.698 409 2HB GLU 56 1HB GLU 56 -15.476 -14.772 2.444 410 1HG GLU 56 2HG GLU 56 -16.951 -12.554 3.601 411 2HG GLU 56 1HG GLU 56 -17.808 -14.089 3.732 412 H LYS 57 H LYS 57 -13.257 -13.223 0.880 413 HA LYS 57 HA LYS 57 -12.251 -11.948 3.290 414 1HB LYS 57 2HB LYS 57 -10.069 -12.742 2.584 415 2HB LYS 57 1HB LYS 57 -11.239 -14.050 2.486 416 1HG LYS 57 2HG LYS 57 -11.441 -13.598 0.046 417 2HG LYS 57 1HG LYS 57 -10.123 -12.437 0.206 418 1HD LYS 57 2HD LYS 57 -8.759 -14.323 1.198 419 2HD LYS 57 1HD LYS 57 -10.044 -15.411 0.667 420 1HE LYS 57 2HE LYS 57 -9.035 -13.537 -1.370 421 2HE LYS 57 1HE LYS 57 -7.887 -14.761 -0.829 422 1HZ LYS 57 1HZ LYS 57 -9.168 -16.455 -1.648 423 2HZ LYS 57 2HZ LYS 57 -9.502 -15.251 -2.786 424 3HZ LYS 57 3HZ LYS 57 -10.614 -15.580 -1.555 425 H MET 58 H MET 58 -11.807 -9.858 3.382 426 HA MET 58 HA MET 58 -11.536 -8.338 0.905 427 1HB MET 58 2HB MET 58 -12.930 -7.792 3.159 428 2HB MET 58 1HB MET 58 -11.434 -6.937 3.507 429 1HG MET 58 2HG MET 58 -12.759 -5.334 2.493 430 2HG MET 58 1HG MET 58 -11.713 -5.893 1.188 431 1HE MET 58 1HE MET 58 -14.981 -6.415 3.014 432 2HE MET 58 2HE MET 58 -14.977 -8.074 2.414 433 3HE MET 58 3HE MET 58 -16.141 -6.910 1.781 434 H MET 59 H MET 59 -9.601 -7.864 0.122 435 HA MET 59 HA MET 59 -7.427 -7.141 1.905 436 1HB MET 59 2HB MET 59 -7.124 -9.398 -0.086 437 2HB MET 59 1HB MET 59 -5.847 -8.730 0.921 438 1HG MET 59 2HG MET 59 -7.148 -9.448 2.920 439 2HG MET 59 1HG MET 59 -8.273 -10.256 1.831 440 1HE MET 59 1HE MET 59 -4.144 -10.180 1.727 441 2HE MET 59 2HE MET 59 -4.012 -11.479 2.912 442 3HE MET 59 3HE MET 59 -4.853 -9.986 3.330 443 H LEU 60 H LEU 60 -5.992 -5.724 0.990 444 HA LEU 60 HA LEU 60 -6.492 -5.014 -1.828 445 1HB LEU 60 2HB LEU 60 -7.152 -3.311 -0.112 446 2HB LEU 60 1HB LEU 60 -5.465 -3.203 0.357 447 HG LEU 60 HG LEU 60 -5.165 -2.688 -2.239 448 1HD1 LEU 60 1HD1 LEU 60 -7.522 -1.049 -2.109 449 2HD1 LEU 60 2HD1 LEU 60 -7.952 -2.756 -1.998 450 3HD1 LEU 60 3HD1 LEU 60 -7.003 -2.174 -3.366 451 1HD2 LEU 60 1HD2 LEU 60 -5.262 -0.293 -1.665 452 2HD2 LEU 60 2HD2 LEU 60 -4.416 -1.247 -0.446 453 3HD2 LEU 60 3HD2 LEU 60 -6.069 -0.708 -0.153 454 H ARG 61 H ARG 61 -4.859 -5.337 -3.182 455 HA ARG 61 HA ARG 61 -2.157 -5.670 -2.068 456 1HB ARG 61 2HB ARG 61 -3.041 -7.646 -3.212 457 2HB ARG 61 1HB ARG 61 -3.316 -6.694 -4.664 458 1HG ARG 61 2HG ARG 61 -0.831 -6.244 -4.684 459 2HG ARG 61 1HG ARG 61 -0.692 -7.480 -3.433 460 1HD ARG 61 2HD ARG 61 -2.193 -8.123 -5.923 461 2HD ARG 61 1HD ARG 61 -0.431 -8.075 -5.989 462 HE ARG 61 HE ARG 61 -2.069 -10.057 -4.698 463 1HH1 ARG 61 1HH1 ARG 61 1.085 -8.567 -4.800 464 2HH1 ARG 61 2HH1 ARG 61 1.890 -9.931 -4.100 465 1HH2 ARG 61 1HH2 ARG 61 -1.013 -11.853 -3.779 466 2HH2 ARG 61 2HH2 ARG 61 0.700 -11.797 -3.521 467 H LEU 62 H LEU 62 -0.541 -4.368 -2.676 468 HA LEU 62 HA LEU 62 -1.099 -2.407 -4.804 469 1HB LEU 62 2HB LEU 62 -0.183 -2.086 -2.081 470 2HB LEU 62 1HB LEU 62 0.976 -1.410 -3.209 471 HG LEU 62 HG LEU 62 -0.851 -0.056 -4.216 472 1HD1 LEU 62 1HD1 LEU 62 -2.484 -0.939 -1.847 473 2HD1 LEU 62 2HD1 LEU 62 -2.680 -1.598 -3.472 474 3HD1 LEU 62 3HD1 LEU 62 -2.981 0.115 -3.172 475 1HD2 LEU 62 1HD2 LEU 62 -0.960 0.651 -1.353 476 2HD2 LEU 62 2HD2 LEU 62 -0.501 1.626 -2.749 477 3HD2 LEU 62 3HD2 LEU 62 0.649 0.484 -2.055 478 H ILE 63 H ILE 63 0.223 -2.359 -6.492 479 HA ILE 63 HA ILE 63 2.550 -4.128 -6.483 480 HB ILE 63 HB ILE 63 1.463 -2.631 -8.860 481 1HG1 ILE 63 2HG1 ILE 63 -0.398 -3.893 -7.985 482 2HG1 ILE 63 1HG1 ILE 63 0.226 -4.739 -9.398 483 1HG2 ILE 63 1HG2 ILE 63 3.764 -3.997 -8.615 484 2HG2 ILE 63 2HG2 ILE 63 2.857 -3.875 -10.122 485 3HG2 ILE 63 3HG2 ILE 63 2.683 -5.302 -9.102 486 1HD1 ILE 63 1HD1 ILE 63 0.430 -6.573 -8.191 487 2HD1 ILE 63 2HD1 ILE 63 -0.157 -5.713 -6.768 488 3HD1 ILE 63 3HD1 ILE 63 1.569 -5.752 -7.125 489 H GLY 64 H GLY 64 4.502 -3.327 -6.097 490 1HA GLY 64 2HA GLY 64 4.951 -0.448 -6.441 491 2HA GLY 64 1HA GLY 64 5.947 -1.541 -5.489 492 H LYS 65 H LYS 65 4.956 -0.927 -8.850 493 HA LYS 65 HA LYS 65 6.054 -1.172 -10.828 494 1HB LYS 65 2HB LYS 65 7.970 0.029 -8.934 495 2HB LYS 65 1HB LYS 65 8.675 -0.636 -10.401 496 1HG LYS 65 2HG LYS 65 7.189 0.755 -11.749 497 2HG LYS 65 1HG LYS 65 6.475 1.417 -10.277 498 1HD LYS 65 2HD LYS 65 8.745 2.232 -9.632 499 2HD LYS 65 1HD LYS 65 9.327 1.708 -11.213 500 1HE LYS 65 2HE LYS 65 8.798 3.775 -11.888 501 2HE LYS 65 1HE LYS 65 7.131 3.198 -11.872 502 1HZ LYS 65 1HZ LYS 65 6.805 4.105 -9.720 503 2HZ LYS 65 2HZ LYS 65 7.520 5.319 -10.654 504 3HZ LYS 65 3HZ LYS 65 8.449 4.459 -9.532 505 H VAL 66 H VAL 66 8.253 -2.157 -11.800 506 HA VAL 66 HA VAL 66 8.625 -4.801 -10.549 507 HB VAL 66 HB VAL 66 8.566 -4.295 -13.524 508 1HG1 VAL 66 1HG1 VAL 66 8.924 -6.706 -11.800 509 2HG1 VAL 66 2HG1 VAL 66 9.815 -6.212 -13.240 510 3HG1 VAL 66 3HG1 VAL 66 8.185 -6.870 -13.394 511 1HG2 VAL 66 1HG2 VAL 66 6.369 -5.226 -13.589 512 2HG2 VAL 66 2HG2 VAL 66 6.357 -3.920 -12.403 513 3HG2 VAL 66 3HG2 VAL 66 6.415 -5.599 -11.866 514 H ASP 67 H ASP 67 10.034 -2.971 -13.271 515 HA ASP 67 HA ASP 67 12.666 -3.943 -12.668 516 1HB ASP 67 2HB ASP 67 11.683 -1.881 -14.649 517 2HB ASP 67 1HB ASP 67 13.356 -2.417 -14.535 518 H GLU 68 H GLU 68 14.041 -3.104 -11.257 519 HA GLU 68 HA GLU 68 13.646 -0.319 -10.395 520 1HB GLU 68 2HB GLU 68 14.610 -0.922 -8.270 521 2HB GLU 68 1HB GLU 68 13.323 -2.059 -8.648 522 1HG GLU 68 2HG GLU 68 15.036 -3.662 -9.440 523 2HG GLU 68 1HG GLU 68 16.281 -2.535 -8.907 524 H SER 69 H SER 69 15.087 -0.957 -12.736 525 HA SER 69 HA SER 69 17.857 -1.144 -12.379 526 1HB SER 69 2HB SER 69 16.376 0.251 -14.619 527 2HB SER 69 1HB SER 69 18.045 -0.315 -14.670 528 HG SER 69 HG SER 69 15.726 -1.925 -14.369 529 H LYS 70 H LYS 70 15.688 1.507 -11.990 530 HA LYS 70 HA LYS 70 17.423 3.672 -12.322 531 1HB LYS 70 2HB LYS 70 15.046 3.359 -10.482 532 2HB LYS 70 1HB LYS 70 15.852 4.888 -10.804 533 1HG LYS 70 2HG LYS 70 15.286 4.672 -13.182 534 2HG LYS 70 1HG LYS 70 14.444 3.161 -12.830 535 1HD LYS 70 2HD LYS 70 12.778 4.839 -12.915 536 2HD LYS 70 1HD LYS 70 13.025 4.481 -11.204 537 1HE LYS 70 2HE LYS 70 12.904 6.846 -11.415 538 2HE LYS 70 1HE LYS 70 14.593 6.435 -11.119 539 1HZ LYS 70 1HZ LYS 70 13.930 8.097 -13.001 540 2HZ LYS 70 2HZ LYS 70 13.675 6.682 -13.893 541 3HZ LYS 70 3HZ LYS 70 15.199 7.001 -13.230 542 H LYS 71 H LYS 71 16.976 1.469 -9.641 543 HA LYS 71 HA LYS 71 18.560 3.027 -7.809 544 1HB LYS 71 2HB LYS 71 17.340 0.280 -7.710 545 2HB LYS 71 1HB LYS 71 18.439 0.835 -6.457 546 1HG LYS 71 2HG LYS 71 16.318 1.284 -5.612 547 2HG LYS 71 1HG LYS 71 16.881 2.842 -6.222 548 1HD LYS 71 2HD LYS 71 15.600 2.502 -8.278 549 2HD LYS 71 1HD LYS 71 15.046 0.937 -7.678 550 1HE LYS 71 2HE LYS 71 14.194 2.322 -5.647 551 2HE LYS 71 1HE LYS 71 14.325 3.689 -6.753 552 1HZ LYS 71 1HZ LYS 71 12.163 2.972 -7.046 553 2HZ LYS 71 2HZ LYS 71 12.562 1.333 -6.928 554 3HZ LYS 71 3HZ LYS 71 12.962 2.202 -8.323 555 H ARG 72 H ARG 72 20.615 2.488 -7.005 556 HA ARG 72 HA ARG 72 22.236 0.917 -8.887 557 1HB ARG 72 2HB ARG 72 23.022 3.108 -6.961 558 2HB ARG 72 1HB ARG 72 24.163 2.189 -7.932 559 1HG ARG 72 2HG ARG 72 23.060 3.016 -9.971 560 2HG ARG 72 1HG ARG 72 21.978 3.984 -8.967 561 1HD ARG 72 2HD ARG 72 23.769 5.376 -9.776 562 2HD ARG 72 1HD ARG 72 23.948 5.152 -8.037 563 HE ARG 72 HE ARG 72 25.697 4.153 -10.124 564 1HH1 ARG 72 1HH1 ARG 72 24.801 4.035 -6.749 565 2HH1 ARG 72 2HH1 ARG 72 26.317 3.369 -6.244 566 1HH2 ARG 72 1HH2 ARG 72 27.689 3.277 -9.456 567 2HH2 ARG 72 2HH2 ARG 72 27.955 2.940 -7.779 568 H LYS 73 H LYS 73 23.022 -0.970 -8.246 569 HA LYS 73 HA LYS 73 22.537 -2.040 -5.687 570 1HB LYS 73 2HB LYS 73 23.979 -3.912 -6.425 571 2HB LYS 73 1HB LYS 73 22.756 -3.485 -7.615 572 1HG LYS 73 2HG LYS 73 24.545 -3.686 -8.991 573 2HG LYS 73 1HG LYS 73 24.724 -1.985 -8.556 574 1HD LYS 73 2HD LYS 73 26.380 -2.521 -6.903 575 2HD LYS 73 1HD LYS 73 26.100 -4.250 -7.118 576 1HE LYS 73 2HE LYS 73 26.700 -3.554 -9.647 577 2HE LYS 73 1HE LYS 73 27.645 -2.351 -8.769 578 1HZ LYS 73 1HZ LYS 73 28.274 -4.549 -7.416 579 2HZ LYS 73 2HZ LYS 73 29.155 -4.000 -8.752 580 3HZ LYS 73 3HZ LYS 73 28.007 -5.228 -8.943 581 H ASP 74 H ASP 74 24.091 -2.749 -4.100 582 HA ASP 74 HA ASP 74 26.531 -1.098 -4.027 583 1HB ASP 74 2HB ASP 74 24.651 -1.718 -1.740 584 2HB ASP 74 1HB ASP 74 26.219 -0.940 -1.557 585 H ASN 75 H ASN 75 28.130 -1.956 -2.370 586 HA ASN 75 HA ASN 75 28.499 -4.784 -2.890 587 1HB ASN 75 2HB ASN 75 30.281 -2.804 -1.457 588 2HB ASN 75 1HB ASN 75 30.729 -4.447 -1.907 589 1HD2 ASN 75 1HD2 ASN 75 29.789 -4.699 -4.413 590 2HD2 ASN 75 2HD2 ASN 75 30.558 -3.569 -5.469 591 H GLU 76 H GLU 76 26.843 -3.137 -0.586 592 HA GLU 76 HA GLU 76 27.646 -4.855 1.637 593 1HB GLU 76 2HB GLU 76 25.743 -2.509 1.531 594 2HB GLU 76 1HB GLU 76 26.124 -3.423 2.984 595 1HG GLU 76 2HG GLU 76 28.481 -2.765 2.754 596 2HG GLU 76 1HG GLU 76 28.053 -1.799 1.343 597 H GLY 77 H GLY 77 26.378 -6.112 -0.545 598 1HA GLY 77 2HA GLY 77 24.687 -7.593 -1.009 599 2HA GLY 77 1HA GLY 77 24.488 -7.701 0.733 600 H ASN 78 H ASN 78 24.053 -4.675 -0.939 601 HA ASN 78 HA ASN 78 21.515 -4.209 0.133 602 1HB ASN 78 2HB ASN 78 23.125 -2.967 -2.057 603 2HB ASN 78 1HB ASN 78 21.430 -2.518 -1.899 604 1HD2 ASN 78 1HD2 ASN 78 24.030 -3.190 0.423 605 2HD2 ASN 78 2HD2 ASN 78 23.867 -1.704 1.291 606 H GLU 79 H GLU 79 22.500 -5.635 -2.929 607 HA GLU 79 HA GLU 79 19.690 -6.373 -3.403 608 1HB GLU 79 2HB GLU 79 21.727 -5.580 -5.492 609 2HB GLU 79 1HB GLU 79 20.108 -6.177 -5.829 610 1HG GLU 79 2HG GLU 79 19.183 -4.229 -4.621 611 2HG GLU 79 1HG GLU 79 20.824 -3.617 -4.422 612 H VAL 80 H VAL 80 19.357 -8.367 -4.522 613 HA VAL 80 HA VAL 80 21.636 -10.121 -4.918 614 HB VAL 80 HB VAL 80 19.447 -10.956 -3.015 615 1HG1 VAL 80 1HG1 VAL 80 22.114 -12.253 -3.534 616 2HG1 VAL 80 2HG1 VAL 80 20.634 -12.708 -4.378 617 3HG1 VAL 80 3HG1 VAL 80 20.748 -12.905 -2.629 618 1HG2 VAL 80 1HG2 VAL 80 20.750 -9.217 -1.955 619 2HG2 VAL 80 2HG2 VAL 80 22.252 -10.024 -2.409 620 3HG2 VAL 80 3HG2 VAL 80 21.162 -10.778 -1.245 621 H VAL 81 H VAL 81 18.084 -10.199 -4.584 622 HA VAL 81 HA VAL 81 17.960 -11.481 -7.231 623 HB VAL 81 HB VAL 81 17.514 -13.178 -5.534 624 1HG1 VAL 81 1HG1 VAL 81 16.546 -11.297 -3.956 625 2HG1 VAL 81 2HG1 VAL 81 16.038 -12.980 -3.803 626 3HG1 VAL 81 3HG1 VAL 81 15.016 -11.823 -4.660 627 1HG2 VAL 81 1HG2 VAL 81 15.121 -12.283 -7.130 628 2HG2 VAL 81 2HG2 VAL 81 15.200 -13.824 -6.276 629 3HG2 VAL 81 3HG2 VAL 81 16.338 -13.478 -7.578 630 HA PRO 82 HA PRO 82 15.601 -7.441 -7.239 631 1HB PRO 82 2HB PRO 82 16.201 -7.939 -10.119 632 2HB PRO 82 1HB PRO 82 16.288 -6.435 -9.195 633 1HG PRO 82 2HG PRO 82 18.506 -7.756 -9.843 634 2HG PRO 82 1HG PRO 82 18.342 -6.973 -8.260 635 1HD PRO 82 2HD PRO 82 18.167 -9.865 -8.976 636 2HD PRO 82 1HD PRO 82 18.818 -9.098 -7.512 637 H LYS 83 H LYS 83 13.454 -7.521 -7.247 638 HA LYS 83 HA LYS 83 12.007 -8.867 -9.348 639 1HB LYS 83 2HB LYS 83 12.286 -10.031 -6.652 640 2HB LYS 83 1HB LYS 83 10.637 -9.949 -7.257 641 1HG LYS 83 2HG LYS 83 10.993 -11.516 -8.842 642 2HG LYS 83 1HG LYS 83 12.660 -11.011 -9.124 643 1HD LYS 83 2HD LYS 83 12.841 -13.134 -8.141 644 2HD LYS 83 1HD LYS 83 13.166 -12.003 -6.825 645 1HE LYS 83 2HE LYS 83 10.344 -12.766 -7.185 646 2HE LYS 83 1HE LYS 83 11.421 -14.061 -6.663 647 1HZ LYS 83 1HZ LYS 83 12.181 -12.123 -5.023 648 2HZ LYS 83 2HZ LYS 83 10.940 -13.210 -4.648 649 3HZ LYS 83 3HZ LYS 83 10.565 -11.672 -5.243 650 HA PRO 84 HA PRO 84 8.963 -5.786 -8.563 651 1HB PRO 84 2HB PRO 84 6.596 -7.130 -8.724 652 2HB PRO 84 1HB PRO 84 7.583 -6.724 -10.134 653 1HG PRO 84 2HG PRO 84 7.396 -9.307 -8.630 654 2HG PRO 84 1HG PRO 84 7.455 -9.034 -10.382 655 1HD PRO 84 2HD PRO 84 9.624 -9.807 -8.975 656 2HD PRO 84 1HD PRO 84 9.746 -8.733 -10.384 657 H GLN 85 H GLN 85 8.489 -4.811 -6.706 658 HA GLN 85 HA GLN 85 8.007 -6.395 -4.318 659 1HB GLN 85 2HB GLN 85 8.550 -3.484 -4.827 660 2HB GLN 85 1HB GLN 85 7.982 -4.038 -3.258 661 1HG GLN 85 2HG GLN 85 10.430 -5.140 -4.603 662 2HG GLN 85 1HG GLN 85 10.465 -3.767 -3.497 663 1HE2 GLN 85 1HE2 GLN 85 11.342 -6.755 -3.531 664 2HE2 GLN 85 2HE2 GLN 85 10.889 -7.296 -1.953 665 H ARG 86 H ARG 86 6.070 -6.772 -3.479 666 HA ARG 86 HA ARG 86 3.842 -4.989 -4.182 667 1HB ARG 86 2HB ARG 86 3.768 -8.011 -4.206 668 2HB ARG 86 1HB ARG 86 2.366 -6.969 -4.394 669 1HG ARG 86 2HG ARG 86 3.420 -6.008 -6.426 670 2HG ARG 86 1HG ARG 86 4.715 -7.195 -6.259 671 1HD ARG 86 2HD ARG 86 2.974 -8.987 -6.349 672 2HD ARG 86 1HD ARG 86 1.787 -7.738 -6.727 673 HE ARG 86 HE ARG 86 3.724 -7.379 -8.598 674 1HH1 ARG 86 1HH1 ARG 86 1.818 -10.120 -7.584 675 2HH1 ARG 86 2HH1 ARG 86 1.832 -10.867 -9.147 676 1HH2 ARG 86 1HH2 ARG 86 3.744 -8.358 -10.653 677 2HH2 ARG 86 2HH2 ARG 86 2.927 -9.867 -10.889 678 H HIS 87 H HIS 87 2.350 -4.627 -2.585 679 HA HIS 87 HA HIS 87 2.914 -5.881 0.023 680 1HB HIS 87 2HB HIS 87 2.263 -3.054 -0.719 681 2HB HIS 87 1HB HIS 87 1.779 -3.660 0.860 682 HD1 HIS 87 HD1 HIS 87 3.479 -3.411 2.640 683 HD2 HIS 87 HD2 HIS 87 5.190 -3.432 -1.145 684 HE1 HIS 87 HE1 HIS 87 5.927 -2.973 3.009 685 HE2 HIS 87 HE2 HIS 87 6.928 -2.904 0.697 686 H MET 88 H MET 88 1.379 -7.326 0.441 687 HA MET 88 HA MET 88 -1.351 -6.858 -0.490 688 1HB MET 88 2HB MET 88 -0.313 -9.058 -0.914 689 2HB MET 88 1HB MET 88 -0.136 -9.299 0.818 690 1HG MET 88 2HG MET 88 -2.657 -9.037 0.957 691 2HG MET 88 1HG MET 88 -2.658 -9.195 -0.798 692 1HE MET 88 1HE MET 88 -1.830 -11.107 -2.090 693 2HE MET 88 2HE MET 88 -1.606 -12.755 -1.501 694 3HE MET 88 3HE MET 88 -0.325 -11.561 -1.289 695 H PHE 89 H PHE 89 -2.844 -6.034 0.810 696 HA PHE 89 HA PHE 89 -2.391 -6.160 3.717 697 1HB PHE 89 2HB PHE 89 -3.805 -4.108 2.017 698 2HB PHE 89 1HB PHE 89 -3.951 -4.157 3.772 699 HD1 PHE 89 HD1 PHE 89 -1.978 -3.081 0.987 700 HD2 PHE 89 HD2 PHE 89 -1.861 -3.917 5.157 701 HE1 PHE 89 HE1 PHE 89 0.082 -1.754 1.188 702 HE2 PHE 89 HE2 PHE 89 0.201 -2.587 5.368 703 HZ PHE 89 HZ PHE 89 1.176 -1.504 3.381 704 H SER 90 H SER 90 -4.226 -6.413 5.096 705 HA SER 90 HA SER 90 -6.479 -7.802 3.795 706 1HB SER 90 2HB SER 90 -4.674 -8.813 5.701 707 2HB SER 90 1HB SER 90 -6.175 -8.520 6.579 708 HG SER 90 HG SER 90 -5.748 -10.613 5.278 709 H PHE 91 H PHE 91 -8.348 -6.760 3.984 710 HA PHE 91 HA PHE 91 -8.632 -4.761 6.101 711 1HB PHE 91 2HB PHE 91 -9.863 -5.123 3.399 712 2HB PHE 91 1HB PHE 91 -10.707 -4.171 4.618 713 HD1 PHE 91 HD1 PHE 91 -9.948 -2.025 5.253 714 HD2 PHE 91 HD2 PHE 91 -7.663 -4.417 2.581 715 HE1 PHE 91 HE1 PHE 91 -8.549 -0.069 4.703 716 HE2 PHE 91 HE2 PHE 91 -6.262 -2.478 2.022 717 HZ PHE 91 HZ PHE 91 -6.702 -0.295 3.085 718 H ASN 92 H ASN 92 -10.185 -4.823 7.600 719 HA ASN 92 HA ASN 92 -11.798 -7.260 7.746 720 1HB ASN 92 2HB ASN 92 -11.153 -5.175 9.844 721 2HB ASN 92 1HB ASN 92 -12.168 -6.589 10.116 722 1HD2 ASN 92 1HD2 ASN 92 -9.918 -6.096 11.622 723 2HD2 ASN 92 2HD2 ASN 92 -8.724 -7.295 11.276 724 H ASN 93 H ASN 93 -12.192 -4.450 6.301 725 HA ASN 93 HA ASN 93 -15.048 -4.484 6.651 726 1HB ASN 93 2HB ASN 93 -14.126 -2.936 8.441 727 2HB ASN 93 1HB ASN 93 -13.617 -1.877 7.130 728 1HD2 ASN 93 1HD2 ASN 93 -15.182 -0.655 8.735 729 2HD2 ASN 93 2HD2 ASN 93 -16.812 -0.549 8.171 730 H ARG 94 H ARG 94 -15.953 -4.284 4.730 731 HA ARG 94 HA ARG 94 -14.501 -3.764 2.389 732 1HB ARG 94 2HB ARG 94 -16.618 -5.061 2.487 733 2HB ARG 94 1HB ARG 94 -17.492 -3.565 2.784 734 1HG ARG 94 2HG ARG 94 -16.819 -2.711 0.614 735 2HG ARG 94 1HG ARG 94 -15.879 -4.175 0.316 736 1HD ARG 94 2HD ARG 94 -17.951 -4.408 -0.836 737 2HD ARG 94 1HD ARG 94 -17.998 -5.483 0.561 738 HE ARG 94 HE ARG 94 -19.165 -3.220 1.478 739 1HH1 ARG 94 1HH1 ARG 94 -19.723 -5.239 -1.314 740 2HH1 ARG 94 2HH1 ARG 94 -21.416 -4.888 -1.384 741 1HH2 ARG 94 1HH2 ARG 94 -21.392 -2.757 1.386 742 2HH2 ARG 94 2HH2 ARG 94 -22.365 -3.479 0.148 743 H THR 95 H THR 95 -16.580 -1.682 4.365 744 HA THR 95 HA THR 95 -16.592 0.525 2.660 745 HB THR 95 HB THR 95 -16.686 0.966 5.573 746 HG1 THR 95 HG1 THR 95 -18.431 -0.262 5.922 747 1HG2 THR 95 1HG2 THR 95 -17.468 2.637 3.930 748 2HG2 THR 95 2HG2 THR 95 -18.703 2.143 5.087 749 3HG2 THR 95 3HG2 THR 95 -18.723 1.499 3.446 750 H VAL 96 H VAL 96 -14.482 -0.416 5.295 751 HA VAL 96 HA VAL 96 -12.902 1.938 5.240 752 HB VAL 96 HB VAL 96 -12.178 -0.778 6.343 753 1HG1 VAL 96 1HG1 VAL 96 -10.147 0.228 6.393 754 2HG1 VAL 96 2HG1 VAL 96 -10.807 0.940 7.867 755 3HG1 VAL 96 3HG1 VAL 96 -10.829 1.855 6.359 756 1HG2 VAL 96 1HG2 VAL 96 -13.269 -0.291 8.268 757 2HG2 VAL 96 2HG2 VAL 96 -14.259 0.686 7.184 758 3HG2 VAL 96 3HG2 VAL 96 -12.974 1.441 8.127 759 H MET 97 H MET 97 -12.774 -1.147 3.643 760 HA MET 97 HA MET 97 -10.143 -0.774 2.573 761 1HB MET 97 2HB MET 97 -10.339 -2.878 1.710 762 2HB MET 97 1HB MET 97 -11.580 -2.973 2.946 763 1HG MET 97 2HG MET 97 -12.832 -3.767 1.272 764 2HG MET 97 1HG MET 97 -13.040 -2.065 0.870 765 1HE MET 97 1HE MET 97 -13.489 -4.561 -0.841 766 2HE MET 97 2HE MET 97 -11.997 -5.498 -0.759 767 3HE MET 97 3HE MET 97 -12.447 -4.687 -2.259 768 H ASP 98 H ASP 98 -13.395 -0.028 1.545 769 HA ASP 98 HA ASP 98 -12.654 0.578 -1.149 770 1HB ASP 98 2HB ASP 98 -15.166 1.170 0.418 771 2HB ASP 98 1HB ASP 98 -14.966 1.519 -1.296 772 H ASN 99 H ASN 99 -12.843 2.281 1.847 773 HA ASN 99 HA ASN 99 -12.874 4.906 0.767 774 1HB ASN 99 2HB ASN 99 -12.071 3.887 3.494 775 2HB ASN 99 1HB ASN 99 -12.198 5.593 3.078 776 1HD2 ASN 99 1HD2 ASN 99 -13.654 4.400 5.123 777 2HD2 ASN 99 2HD2 ASN 99 -15.330 4.432 4.700 778 H ILE 100 H ILE 100 -10.405 2.624 1.599 779 HA ILE 100 HA ILE 100 -8.248 4.531 1.261 780 HB ILE 100 HB ILE 100 -8.116 1.538 1.647 781 1HG1 ILE 100 2HG1 ILE 100 -9.202 2.760 3.526 782 2HG1 ILE 100 1HG1 ILE 100 -7.684 1.997 3.984 783 1HG2 ILE 100 1HG2 ILE 100 -5.992 3.666 1.852 784 2HG2 ILE 100 2HG2 ILE 100 -6.098 2.388 0.641 785 3HG2 ILE 100 3HG2 ILE 100 -5.785 1.980 2.328 786 1HD1 ILE 100 1HD1 ILE 100 -7.946 4.239 4.935 787 2HD1 ILE 100 2HD1 ILE 100 -8.019 4.908 3.305 788 3HD1 ILE 100 3HD1 ILE 100 -6.545 4.122 3.871 789 H LYS 101 H LYS 101 -9.501 1.663 -0.413 790 HA LYS 101 HA LYS 101 -7.634 1.520 -2.466 791 1HB LYS 101 2HB LYS 101 -9.369 -0.193 -1.961 792 2HB LYS 101 1HB LYS 101 -10.578 0.869 -2.668 793 1HG LYS 101 2HG LYS 101 -9.486 0.728 -4.824 794 2HG LYS 101 1HG LYS 101 -8.203 -0.264 -4.130 795 1HD LYS 101 2HD LYS 101 -9.652 -1.797 -5.161 796 2HD LYS 101 1HD LYS 101 -10.058 -1.879 -3.446 797 1HE LYS 101 2HE LYS 101 -12.093 -1.825 -4.718 798 2HE LYS 101 1HE LYS 101 -11.920 -0.294 -3.861 799 1HZ LYS 101 1HZ LYS 101 -11.209 0.767 -5.860 800 2HZ LYS 101 2HZ LYS 101 -12.642 -0.065 -6.203 801 3HZ LYS 101 3HZ LYS 101 -11.155 -0.701 -6.701 802 H MET 102 H MET 102 -10.703 3.312 -2.363 803 HA MET 102 HA MET 102 -10.446 4.375 -4.976 804 1HB MET 102 2HB MET 102 -12.093 5.308 -2.624 805 2HB MET 102 1HB MET 102 -12.236 5.959 -4.250 806 1HG MET 102 2HG MET 102 -12.839 3.703 -5.056 807 2HG MET 102 1HG MET 102 -12.797 3.130 -3.389 808 1HE MET 102 1HE MET 102 -16.061 2.964 -4.996 809 2HE MET 102 2HE MET 102 -16.280 2.818 -3.252 810 3HE MET 102 3HE MET 102 -14.843 2.141 -4.020 811 H THR 103 H THR 103 -9.316 5.390 -1.859 812 HA THR 103 HA THR 103 -8.622 8.032 -2.697 813 HB THR 103 HB THR 103 -8.566 6.481 -0.223 814 HG1 THR 103 HG1 THR 103 -9.721 8.159 0.186 815 1HG2 THR 103 1HG2 THR 103 -6.370 8.501 -0.606 816 2HG2 THR 103 2HG2 THR 103 -6.149 6.764 -0.396 817 3HG2 THR 103 3HG2 THR 103 -6.832 7.732 0.912 818 H LEU 104 H LEU 104 -7.056 4.921 -2.499 819 HA LEU 104 HA LEU 104 -4.404 5.870 -2.915 820 1HB LEU 104 2HB LEU 104 -5.698 3.167 -3.234 821 2HB LEU 104 1HB LEU 104 -4.004 3.441 -3.595 822 HG LEU 104 HG LEU 104 -5.235 3.995 -0.898 823 1HD1 LEU 104 1HD1 LEU 104 -3.838 1.539 -1.933 824 2HD1 LEU 104 2HD1 LEU 104 -5.465 1.654 -1.259 825 3HD1 LEU 104 3HD1 LEU 104 -4.059 1.893 -0.219 826 1HD2 LEU 104 1HD2 LEU 104 -2.384 3.789 -1.859 827 2HD2 LEU 104 2HD2 LEU 104 -2.872 3.935 -0.170 828 3HD2 LEU 104 3HD2 LEU 104 -3.211 5.243 -1.302 829 H GLN 105 H GLN 105 -7.052 4.910 -5.010 830 HA GLN 105 HA GLN 105 -5.530 4.755 -7.395 831 1HB GLN 105 2HB GLN 105 -7.527 4.392 -8.488 832 2HB GLN 105 1HB GLN 105 -7.949 3.908 -6.854 833 1HG GLN 105 2HG GLN 105 -9.739 5.208 -7.261 834 2HG GLN 105 1HG GLN 105 -8.646 6.480 -6.720 835 1HE2 GLN 105 1HE2 GLN 105 -9.064 4.690 -9.756 836 2HE2 GLN 105 2HE2 GLN 105 -9.196 6.088 -10.762 837 H GLN 106 H GLN 106 -7.147 7.336 -5.720 838 HA GLN 106 HA GLN 106 -7.040 9.272 -7.764 839 1HB GLN 106 2HB GLN 106 -7.092 9.561 -4.757 840 2HB GLN 106 1HB GLN 106 -7.213 10.922 -5.864 841 1HG GLN 106 2HG GLN 106 -9.123 8.598 -5.812 842 2HG GLN 106 1HG GLN 106 -9.389 10.133 -4.989 843 1HE2 GLN 106 1HE2 GLN 106 -10.673 8.638 -7.321 844 2HE2 GLN 106 2HE2 GLN 106 -10.827 9.850 -8.544 845 H ILE 107 H ILE 107 -4.769 8.381 -5.205 846 HA ILE 107 HA ILE 107 -2.896 10.423 -5.581 847 HB ILE 107 HB ILE 107 -2.439 7.553 -4.744 848 1HG1 ILE 107 2HG1 ILE 107 -2.606 10.024 -3.016 849 2HG1 ILE 107 1HG1 ILE 107 -4.000 9.005 -3.364 850 1HG2 ILE 107 1HG2 ILE 107 -0.555 9.573 -5.388 851 2HG2 ILE 107 2HG2 ILE 107 -0.264 7.960 -4.741 852 3HG2 ILE 107 3HG2 ILE 107 -0.513 9.317 -3.643 853 1HD1 ILE 107 1HD1 ILE 107 -3.393 7.494 -1.857 854 2HD1 ILE 107 2HD1 ILE 107 -2.271 8.717 -1.260 855 3HD1 ILE 107 3HD1 ILE 107 -1.716 7.494 -2.403 856 H ILE 108 H ILE 108 -3.262 7.290 -7.152 857 HA ILE 108 HA ILE 108 -0.995 7.208 -8.747 858 HB ILE 108 HB ILE 108 -3.694 6.379 -9.768 859 1HG1 ILE 108 2HG1 ILE 108 -3.733 5.474 -7.600 860 2HG1 ILE 108 1HG1 ILE 108 -3.188 4.155 -8.629 861 1HG2 ILE 108 1HG2 ILE 108 -0.874 5.528 -10.255 862 2HG2 ILE 108 2HG2 ILE 108 -2.112 6.024 -11.408 863 3HG2 ILE 108 3HG2 ILE 108 -2.223 4.451 -10.618 864 1HD1 ILE 108 1HD1 ILE 108 -1.962 4.323 -6.498 865 2HD1 ILE 108 2HD1 ILE 108 -1.373 5.908 -6.996 866 3HD1 ILE 108 3HD1 ILE 108 -0.921 4.471 -7.913 867 H SER 109 H SER 109 -4.156 8.490 -9.484 868 HA SER 109 HA SER 109 -3.683 9.478 -12.030 869 1HB SER 109 2HB SER 109 -5.921 9.334 -10.951 870 2HB SER 109 1HB SER 109 -5.496 10.730 -9.961 871 HG SER 109 HG SER 109 -6.381 11.746 -11.599 872 H ARG 110 H ARG 110 -2.793 10.808 -8.955 873 HA ARG 110 HA ARG 110 -2.204 13.421 -9.894 874 1HB ARG 110 2HB ARG 110 -1.258 11.995 -7.410 875 2HB ARG 110 1HB ARG 110 -1.047 13.710 -7.727 876 1HG ARG 110 2HG ARG 110 -3.462 14.018 -7.743 877 2HG ARG 110 1HG ARG 110 -3.690 12.292 -7.455 878 1HD ARG 110 2HD ARG 110 -2.369 12.561 -5.344 879 2HD ARG 110 1HD ARG 110 -2.407 14.303 -5.616 880 HE ARG 110 HE ARG 110 -5.015 13.636 -5.711 881 1HH1 ARG 110 1HH1 ARG 110 -2.490 12.938 -3.403 882 2HH1 ARG 110 2HH1 ARG 110 -3.574 12.861 -2.054 883 1HH2 ARG 110 1HH2 ARG 110 -6.439 13.538 -3.938 884 2HH2 ARG 110 2HH2 ARG 110 -5.816 13.201 -2.357 885 H TYR 111 H TYR 111 -0.382 10.476 -9.511 886 HA TYR 111 HA TYR 111 2.157 11.664 -10.075 887 1HB TYR 111 2HB TYR 111 1.164 8.838 -9.875 888 2HB TYR 111 1HB TYR 111 2.780 9.174 -10.488 889 HD1 TYR 111 HD1 TYR 111 4.374 10.483 -8.993 890 HD2 TYR 111 HD2 TYR 111 0.746 8.778 -7.568 891 HE1 TYR 111 HE1 TYR 111 5.224 10.615 -6.690 892 HE2 TYR 111 HE2 TYR 111 1.587 8.905 -5.260 893 HH TYR 111 HH TYR 111 3.217 10.105 -3.958 894 H LYS 112 H LYS 112 -0.396 10.253 -11.936 895 HA LYS 112 HA LYS 112 1.101 9.961 -14.346 896 1HB LYS 112 2HB LYS 112 -1.851 9.912 -13.741 897 2HB LYS 112 1HB LYS 112 -1.216 9.716 -15.369 898 1HG LYS 112 2HG LYS 112 -0.459 7.624 -14.971 899 2HG LYS 112 1HG LYS 112 -0.071 7.965 -13.283 900 1HD LYS 112 2HD LYS 112 -1.897 6.402 -13.355 901 2HD LYS 112 1HD LYS 112 -2.504 7.957 -12.780 902 1HE LYS 112 2HE LYS 112 -4.087 7.128 -14.344 903 2HE LYS 112 1HE LYS 112 -3.216 8.439 -15.137 904 1HZ LYS 112 1HZ LYS 112 -3.062 6.913 -16.769 905 2HZ LYS 112 2HZ LYS 112 -3.222 5.591 -15.727 906 3HZ LYS 112 3HZ LYS 112 -1.730 6.374 -15.875 907 H ASP 113 H ASP 113 -0.835 12.473 -12.880 908 HA ASP 113 HA ASP 113 -1.305 14.079 -15.121 909 1HB ASP 113 2HB ASP 113 -0.929 14.827 -12.216 910 2HB ASP 113 1HB ASP 113 -1.479 15.952 -13.455 911 H ALA 114 H ALA 114 1.486 13.843 -12.987 912 HA ALA 114 HA ALA 114 2.881 16.104 -13.889 913 1HB ALA 114 1HB ALA 114 4.008 13.520 -12.818 914 2HB ALA 114 2HB ALA 114 3.470 14.891 -11.847 915 3HB ALA 114 3HB ALA 114 4.859 15.061 -12.922 916 H ASP 115 H ASP 115 2.614 12.855 -15.175 917 HA ASP 115 HA ASP 115 3.889 13.754 -17.636 918 1HB ASP 115 2HB ASP 115 5.706 12.749 -16.276 919 2HB ASP 115 1HB ASP 115 4.790 11.248 -16.197 Start of MODEL 11 1 HT1 PRO 1 HT2 PRO 1 -15.870 12.591 4.500 2 HT2 PRO 1 HT1 PRO 1 -14.599 11.985 5.462 3 HA PRO 1 HA PRO 1 -15.032 11.703 2.757 4 1HB PRO 1 2HB PRO 1 -12.295 12.739 3.035 5 2HB PRO 1 1HB PRO 1 -13.484 13.019 1.755 6 1HG PRO 1 2HG PRO 1 -12.847 14.908 3.597 7 2HG PRO 1 1HG PRO 1 -14.451 14.789 2.855 8 1HD PRO 1 2HD PRO 1 -13.557 13.970 5.587 9 2HD PRO 1 1HD PRO 1 -15.118 14.632 5.062 10 H SER 2 H SER 2 -12.600 10.676 2.005 11 HA SER 2 HA SER 2 -12.057 8.651 4.078 12 1HB SER 2 2HB SER 2 -11.657 7.041 2.247 13 2HB SER 2 1HB SER 2 -13.301 7.679 2.205 14 HG SER 2 HG SER 2 -12.765 8.950 0.486 15 H HIS 3 H HIS 3 -9.932 7.889 4.280 16 HA HIS 3 HA HIS 3 -7.767 8.540 2.674 17 1HB HIS 3 2HB HIS 3 -8.659 10.768 4.210 18 2HB HIS 3 1HB HIS 3 -7.104 10.249 4.854 19 HD1 HIS 3 HD1 HIS 3 -8.627 11.135 1.482 20 HD2 HIS 3 HD2 HIS 3 -4.986 11.229 3.480 21 HE1 HIS 3 HE1 HIS 3 -7.035 12.297 -0.079 22 HE2 HIS 3 HE2 HIS 3 -4.816 12.263 1.115 23 H SER 4 H SER 4 -8.923 8.038 5.922 24 HA SER 4 HA SER 4 -6.616 6.275 6.426 25 1HB SER 4 2HB SER 4 -6.763 6.874 8.814 26 2HB SER 4 1HB SER 4 -6.443 8.292 7.813 27 HG SER 4 HG SER 4 -8.058 8.802 9.269 28 H GLY 5 H GLY 5 -7.078 4.246 6.940 29 1HA GLY 5 2HA GLY 5 -9.582 3.549 8.232 30 2HA GLY 5 1HA GLY 5 -9.399 2.951 6.588 31 H ALA 6 H ALA 6 -9.579 1.480 9.150 32 HA ALA 6 HA ALA 6 -7.055 0.492 9.884 33 1HB ALA 6 1HB ALA 6 -8.978 0.186 11.314 34 2HB ALA 6 2HB ALA 6 -8.260 -1.374 10.906 35 3HB ALA 6 3HB ALA 6 -9.741 -0.848 10.103 36 H ALA 7 H ALA 7 -5.824 -1.143 9.176 37 HA ALA 7 HA ALA 7 -6.792 -2.984 7.171 38 1HB ALA 7 1HB ALA 7 -4.559 -1.059 6.567 39 2HB ALA 7 2HB ALA 7 -6.137 -1.126 5.782 40 3HB ALA 7 3HB ALA 7 -4.989 -2.448 5.570 41 H ILE 8 H ILE 8 -5.544 -4.865 6.958 42 HA ILE 8 HA ILE 8 -3.626 -5.278 9.129 43 HB ILE 8 HB ILE 8 -4.771 -7.334 7.248 44 1HG1 ILE 8 2HG1 ILE 8 -5.713 -6.819 10.057 45 2HG1 ILE 8 1HG1 ILE 8 -6.473 -6.065 8.656 46 1HG2 ILE 8 1HG2 ILE 8 -2.618 -7.680 8.732 47 2HG2 ILE 8 2HG2 ILE 8 -3.815 -8.956 8.533 48 3HG2 ILE 8 3HG2 ILE 8 -3.819 -7.964 9.989 49 1HD1 ILE 8 1HD1 ILE 8 -7.285 -8.049 7.861 50 2HD1 ILE 8 2HD1 ILE 8 -7.422 -8.275 9.607 51 3HD1 ILE 8 3HD1 ILE 8 -6.079 -9.011 8.720 52 H PHE 9 H PHE 9 -1.566 -5.961 8.824 53 HA PHE 9 HA PHE 9 -0.596 -6.465 6.128 54 1HB PHE 9 2HB PHE 9 -0.291 -4.050 6.387 55 2HB PHE 9 1HB PHE 9 0.575 -4.307 7.895 56 HD1 PHE 9 HD1 PHE 9 0.761 -5.711 4.442 57 HD2 PHE 9 HD2 PHE 9 2.822 -3.953 7.720 58 HE1 PHE 9 HE1 PHE 9 2.874 -5.873 3.191 59 HE2 PHE 9 HE2 PHE 9 4.941 -4.109 6.478 60 HZ PHE 9 HZ PHE 9 4.969 -5.071 4.210 61 H GLU 10 H GLU 10 0.169 -8.442 6.434 62 HA GLU 10 HA GLU 10 1.634 -10.066 7.059 63 1HB GLU 10 2HB GLU 10 2.705 -8.174 9.147 64 2HB GLU 10 1HB GLU 10 3.482 -9.617 8.513 65 1HG GLU 10 2HG GLU 10 3.612 -8.527 6.300 66 2HG GLU 10 1HG GLU 10 2.940 -7.064 7.018 67 H LYS 11 H LYS 11 -0.894 -10.231 7.928 68 HA LYS 11 HA LYS 11 -2.234 -11.284 9.391 69 1HB LYS 11 2HB LYS 11 0.480 -12.200 10.162 70 2HB LYS 11 1HB LYS 11 -0.883 -12.648 11.183 71 1HG LYS 11 2HG LYS 11 -1.927 -13.824 9.423 72 2HG LYS 11 1HG LYS 11 -0.840 -13.123 8.221 73 1HD LYS 11 2HD LYS 11 1.041 -14.329 9.243 74 2HD LYS 11 1HD LYS 11 -0.065 -15.045 10.417 75 1HE LYS 11 2HE LYS 11 -0.750 -15.360 7.554 76 2HE LYS 11 1HE LYS 11 0.640 -16.268 8.145 77 1HZ LYS 11 1HZ LYS 11 -1.826 -16.354 9.719 78 2HZ LYS 11 2HZ LYS 11 -0.649 -17.548 9.491 79 3HZ LYS 11 3HZ LYS 11 -1.781 -17.234 8.274 80 H VAL 12 H VAL 12 -0.869 -8.541 10.114 81 HA VAL 12 HA VAL 12 -1.903 -8.530 12.843 82 HB VAL 12 HB VAL 12 0.422 -6.906 11.809 83 1HG1 VAL 12 1HG1 VAL 12 -1.032 -5.698 13.421 84 2HG1 VAL 12 2HG1 VAL 12 0.604 -5.975 14.018 85 3HG1 VAL 12 3HG1 VAL 12 -0.727 -6.979 14.594 86 1HG2 VAL 12 1HG2 VAL 12 1.848 -8.338 12.813 87 2HG2 VAL 12 2HG2 VAL 12 0.528 -9.483 12.572 88 3HG2 VAL 12 3HG2 VAL 12 0.733 -8.690 14.133 89 H SER 13 H SER 13 -3.326 -6.887 13.319 90 HA SER 13 HA SER 13 -4.116 -5.254 11.016 91 1HB SER 13 2HB SER 13 -5.829 -6.740 12.050 92 2HB SER 13 1HB SER 13 -5.680 -5.819 13.546 93 HG SER 13 HG SER 13 -7.207 -5.280 11.467 94 H GLY 14 H GLY 14 -4.414 -3.094 11.116 95 1HA GLY 14 2HA GLY 14 -4.079 -1.576 13.524 96 2HA GLY 14 1HA GLY 14 -2.664 -1.508 12.479 97 H ILE 15 H ILE 15 -3.637 0.861 12.796 98 HA ILE 15 HA ILE 15 -5.703 1.388 10.816 99 HB ILE 15 HB ILE 15 -4.316 3.212 12.773 100 1HG1 ILE 15 2HG1 ILE 15 -6.499 1.405 12.978 101 2HG1 ILE 15 1HG1 ILE 15 -5.901 2.525 14.197 102 1HG2 ILE 15 1HG2 ILE 15 -6.461 3.841 10.746 103 2HG2 ILE 15 2HG2 ILE 15 -4.833 4.516 10.822 104 3HG2 ILE 15 3HG2 ILE 15 -6.007 4.901 12.080 105 1HD1 ILE 15 1HD1 ILE 15 -8.233 2.896 13.913 106 2HD1 ILE 15 2HD1 ILE 15 -8.057 3.017 12.162 107 3HD1 ILE 15 3HD1 ILE 15 -7.382 4.268 13.205 108 H ILE 16 H ILE 16 -5.335 2.053 8.841 109 HA ILE 16 HA ILE 16 -2.591 2.700 8.055 110 HB ILE 16 HB ILE 16 -4.809 1.241 6.835 111 1HG1 ILE 16 2HG1 ILE 16 -1.834 1.428 6.350 112 2HG1 ILE 16 1HG1 ILE 16 -2.706 0.189 7.240 113 1HG2 ILE 16 1HG2 ILE 16 -4.226 1.944 4.482 114 2HG2 ILE 16 2HG2 ILE 16 -3.419 3.346 5.180 115 3HG2 ILE 16 3HG2 ILE 16 -5.151 3.119 5.414 116 1HD1 ILE 16 1HD1 ILE 16 -1.964 0.170 4.540 117 2HD1 ILE 16 2HD1 ILE 16 -3.722 0.320 4.578 118 3HD1 ILE 16 3HD1 ILE 16 -2.931 -1.019 5.411 119 H ALA 17 H ALA 17 -2.102 4.767 7.772 120 HA ALA 17 HA ALA 17 -4.251 6.650 7.055 121 1HB ALA 17 1HB ALA 17 -3.296 7.159 9.214 122 2HB ALA 17 2HB ALA 17 -2.825 8.401 8.055 123 3HB ALA 17 3HB ALA 17 -1.670 7.156 8.531 124 H ILE 18 H ILE 18 -3.955 8.073 5.367 125 HA ILE 18 HA ILE 18 -1.682 7.467 3.615 126 HB ILE 18 HB ILE 18 -4.525 8.084 3.140 127 1HG1 ILE 18 2HG1 ILE 18 -2.585 6.771 1.261 128 2HG1 ILE 18 1HG1 ILE 18 -3.167 5.928 2.693 129 1HG2 ILE 18 1HG2 ILE 18 -4.067 9.036 0.884 130 2HG2 ILE 18 2HG2 ILE 18 -2.388 9.257 1.377 131 3HG2 ILE 18 3HG2 ILE 18 -3.676 10.112 2.224 132 1HD1 ILE 18 1HD1 ILE 18 -4.630 5.211 1.076 133 2HD1 ILE 18 2HD1 ILE 18 -4.658 6.773 0.258 134 3HD1 ILE 18 3HD1 ILE 18 -5.512 6.564 1.786 135 H ASN 19 H ASN 19 -0.108 8.915 3.570 136 HA ASN 19 HA ASN 19 -0.736 11.714 4.226 137 1HB ASN 19 2HB ASN 19 1.866 10.190 4.448 138 2HB ASN 19 1HB ASN 19 1.695 11.914 4.758 139 1HD2 ASN 19 1HD2 ASN 19 2.657 10.141 6.650 140 2HD2 ASN 19 2HD2 ASN 19 1.523 10.036 7.951 141 H GLU 20 H GLU 20 -0.992 12.884 2.449 142 HA GLU 20 HA GLU 20 0.815 12.400 0.177 143 1HB GLU 20 2HB GLU 20 -0.911 13.484 -1.222 144 2HB GLU 20 1HB GLU 20 -1.502 12.034 -0.423 145 1HG GLU 20 2HG GLU 20 -3.223 13.232 0.276 146 2HG GLU 20 1HG GLU 20 -2.108 14.088 1.339 147 H ASP 21 H ASP 21 0.295 14.462 2.718 148 HA ASP 21 HA ASP 21 0.627 17.003 1.582 149 1HB ASP 21 2HB ASP 21 -0.088 16.528 3.937 150 2HB ASP 21 1HB ASP 21 1.583 16.108 4.303 151 H VAL 22 H VAL 22 2.843 14.420 1.986 152 HA VAL 22 HA VAL 22 5.130 16.188 1.730 153 HB VAL 22 HB VAL 22 4.955 14.112 3.318 154 1HG1 VAL 22 1HG1 VAL 22 5.371 12.042 2.520 155 2HG1 VAL 22 2HG1 VAL 22 6.347 12.636 1.176 156 3HG1 VAL 22 3HG1 VAL 22 4.587 12.713 1.090 157 1HG2 VAL 22 1HG2 VAL 22 7.040 15.627 2.286 158 2HG2 VAL 22 2HG2 VAL 22 7.588 13.955 2.165 159 3HG2 VAL 22 3HG2 VAL 22 7.078 14.605 3.723 160 H SER 23 H SER 23 6.839 14.405 0.377 161 HA SER 23 HA SER 23 5.701 13.603 -2.108 162 1HB SER 23 2HB SER 23 7.387 15.367 -3.268 163 2HB SER 23 1HB SER 23 5.675 15.693 -3.001 164 HG SER 23 HG SER 23 7.413 17.254 -2.215 165 HA PRO 24 HA PRO 24 5.936 12.068 -3.292 166 1HB PRO 24 2HB PRO 24 6.286 9.399 -3.124 167 2HB PRO 24 1HB PRO 24 7.099 10.380 -4.348 168 1HG PRO 24 2HG PRO 24 8.157 9.334 -1.750 169 2HG PRO 24 1HG PRO 24 8.937 9.366 -3.343 170 1HD PRO 24 2HD PRO 24 9.465 11.192 -1.400 171 2HD PRO 24 1HD PRO 24 9.561 11.567 -3.132 172 H ALA 25 H ALA 25 3.982 11.261 -2.523 173 HA ALA 25 HA ALA 25 3.400 11.519 0.182 174 1HB ALA 25 1HB ALA 25 1.273 10.344 -0.360 175 2HB ALA 25 2HB ALA 25 1.928 9.980 -1.956 176 3HB ALA 25 3HB ALA 25 1.663 11.655 -1.473 177 H GLU 26 H GLU 26 2.346 9.660 1.508 178 HA GLU 26 HA GLU 26 3.531 7.055 1.133 179 1HB GLU 26 2HB GLU 26 4.342 8.772 3.484 180 2HB GLU 26 1HB GLU 26 4.671 7.050 3.343 181 1HG GLU 26 2HG GLU 26 5.973 7.517 1.289 182 2HG GLU 26 1HG GLU 26 5.724 9.240 1.569 183 H LEU 27 H LEU 27 2.568 5.442 2.349 184 HA LEU 27 HA LEU 27 0.155 6.269 3.822 185 1HB LEU 27 2HB LEU 27 -0.217 4.925 1.776 186 2HB LEU 27 1HB LEU 27 0.745 3.634 2.470 187 HG LEU 27 HG LEU 27 -1.701 4.637 3.887 188 1HD1 LEU 27 1HD1 LEU 27 -2.697 4.114 1.866 189 2HD1 LEU 27 2HD1 LEU 27 -2.787 2.585 2.740 190 3HD1 LEU 27 3HD1 LEU 27 -1.544 2.828 1.512 191 1HD2 LEU 27 1HD2 LEU 27 0.033 2.204 3.958 192 2HD2 LEU 27 2HD2 LEU 27 -1.644 2.115 4.498 193 3HD2 LEU 27 3HD2 LEU 27 -0.523 3.225 5.285 194 H THR 28 H THR 28 0.413 6.169 5.963 195 HA THR 28 HA THR 28 2.409 4.483 7.149 196 HB THR 28 HB THR 28 0.594 5.969 8.888 197 HG1 THR 28 HG1 THR 28 0.421 7.536 7.459 198 1HG2 THR 28 1HG2 THR 28 2.804 5.161 9.585 199 2HG2 THR 28 2HG2 THR 28 2.622 6.907 9.761 200 3HG2 THR 28 3HG2 THR 28 3.534 6.247 8.405 201 H TRP 29 H TRP 29 2.022 2.884 8.669 202 HA TRP 29 HA TRP 29 -0.738 1.977 9.025 203 1HB TRP 29 2HB TRP 29 0.280 0.549 7.311 204 2HB TRP 29 1HB TRP 29 1.635 0.208 8.385 205 HD1 TRP 29 HD1 TRP 29 -2.190 0.037 8.941 206 HE1 TRP 29 HE1 TRP 29 -2.757 -2.270 9.949 207 HE3 TRP 29 HE3 TRP 29 2.506 -1.976 9.051 208 HZ2 TRP 29 HZ2 TRP 29 -1.389 -4.602 10.690 209 HZ3 TRP 29 HZ3 TRP 29 2.787 -4.260 9.933 210 HH2 TRP 29 HH2 TRP 29 0.868 -5.551 10.732 211 H ARG 30 H ARG 30 -1.101 2.224 11.135 212 HA ARG 30 HA ARG 30 1.077 1.564 13.004 213 1HB ARG 30 2HB ARG 30 0.097 3.844 13.182 214 2HB ARG 30 1HB ARG 30 -1.467 3.122 13.534 215 1HG ARG 30 2HG ARG 30 -0.516 2.097 15.556 216 2HG ARG 30 1HG ARG 30 1.024 2.885 15.211 217 1HD ARG 30 2HD ARG 30 -0.132 5.077 15.313 218 2HD ARG 30 1HD ARG 30 -1.610 4.238 15.786 219 HE ARG 30 HE ARG 30 -0.760 3.996 17.899 220 1HH1 ARG 30 1HH1 ARG 30 1.819 4.922 15.740 221 2HH1 ARG 30 2HH1 ARG 30 2.963 5.176 17.015 222 1HH2 ARG 30 1HH2 ARG 30 0.743 4.330 19.578 223 2HH2 ARG 30 2HH2 ARG 30 2.352 4.841 19.193 224 H SER 31 H SER 31 0.918 -0.251 14.204 225 HA SER 31 HA SER 31 -1.126 -2.111 13.794 226 1HB SER 31 2HB SER 31 -0.097 -3.384 15.620 227 2HB SER 31 1HB SER 31 1.139 -2.729 14.547 228 HG SER 31 HG SER 31 1.377 -2.491 16.956 229 H THR 32 H THR 32 -2.567 -3.022 15.435 230 HA THR 32 HA THR 32 -4.304 -1.117 16.498 231 HB THR 32 HB THR 32 -3.944 -4.053 16.581 232 HG1 THR 32 HG1 THR 32 -5.236 -3.033 15.001 233 1HG2 THR 32 1HG2 THR 32 -5.880 -4.343 18.072 234 2HG2 THR 32 2HG2 THR 32 -5.745 -2.640 18.511 235 3HG2 THR 32 3HG2 THR 32 -4.427 -3.751 18.876 236 H ASP 33 H ASP 33 -1.599 -2.840 17.785 237 HA ASP 33 HA ASP 33 -2.060 -2.271 20.525 238 1HB ASP 33 2HB ASP 33 -0.580 -4.112 19.595 239 2HB ASP 33 1HB ASP 33 0.617 -2.861 19.275 240 H GLY 34 H GLY 34 -0.397 -0.639 17.950 241 1HA GLY 34 2HA GLY 34 0.109 1.629 17.818 242 2HA GLY 34 1HA GLY 34 -0.301 1.794 19.519 243 H ASP 35 H ASP 35 1.870 -0.695 18.508 244 HA ASP 35 HA ASP 35 4.094 0.814 19.699 245 1HB ASP 35 2HB ASP 35 3.481 -2.137 19.725 246 2HB ASP 35 1HB ASP 35 5.068 -1.501 20.146 247 H LYS 36 H LYS 36 2.963 -0.775 16.888 248 HA LYS 36 HA LYS 36 5.626 -0.493 15.666 249 1HB LYS 36 2HB LYS 36 3.844 -2.793 15.751 250 2HB LYS 36 1HB LYS 36 4.260 -2.345 14.102 251 1HG LYS 36 2HG LYS 36 6.613 -2.524 14.604 252 2HG LYS 36 1HG LYS 36 6.254 -2.854 16.300 253 1HD LYS 36 2HD LYS 36 6.726 -4.942 15.238 254 2HD LYS 36 1HD LYS 36 4.990 -4.881 15.549 255 1HE LYS 36 2HE LYS 36 4.630 -4.166 13.215 256 2HE LYS 36 1HE LYS 36 6.362 -4.319 12.922 257 1HZ LYS 36 1HZ LYS 36 5.822 -6.723 13.910 258 2HZ LYS 36 2HZ LYS 36 5.752 -6.367 12.258 259 3HZ LYS 36 3HZ LYS 36 4.334 -6.382 13.180 260 H VAL 37 H VAL 37 5.722 0.845 13.988 261 HA VAL 37 HA VAL 37 3.232 1.475 12.549 262 HB VAL 37 HB VAL 37 5.397 3.483 13.172 263 1HG1 VAL 37 1HG1 VAL 37 2.672 4.328 12.446 264 2HG1 VAL 37 2HG1 VAL 37 3.600 3.553 11.163 265 3HG1 VAL 37 3HG1 VAL 37 4.233 4.991 11.964 266 1HG2 VAL 37 1HG2 VAL 37 4.509 3.243 15.265 267 2HG2 VAL 37 2HG2 VAL 37 2.938 2.716 14.659 268 3HG2 VAL 37 3HG2 VAL 37 3.382 4.423 14.594 269 H HIS 38 H HIS 38 3.368 1.020 10.466 270 HA HIS 38 HA HIS 38 6.036 0.932 9.217 271 1HB HIS 38 2HB HIS 38 4.919 -1.213 9.156 272 2HB HIS 38 1HB HIS 38 3.497 -0.484 8.429 273 HD1 HIS 38 HD1 HIS 38 6.285 -2.431 7.507 274 HD2 HIS 38 HD2 HIS 38 4.355 0.830 5.801 275 HE1 HIS 38 HE1 HIS 38 6.933 -2.462 5.077 276 HE2 HIS 38 HE2 HIS 38 5.822 -0.430 4.085 277 H THR 39 H THR 39 6.429 1.950 7.337 278 HA THR 39 HA THR 39 4.350 3.814 6.396 279 HB THR 39 HB THR 39 7.324 4.237 6.142 280 HG1 THR 39 HG1 THR 39 5.549 5.005 8.200 281 1HG2 THR 39 1HG2 THR 39 5.028 6.172 5.991 282 2HG2 THR 39 2HG2 THR 39 5.975 5.581 4.627 283 3HG2 THR 39 3HG2 THR 39 6.740 6.577 5.867 284 H VAL 40 H VAL 40 3.766 3.728 4.320 285 HA VAL 40 HA VAL 40 5.342 2.005 2.521 286 HB VAL 40 HB VAL 40 2.390 2.598 2.318 287 1HG1 VAL 40 1HG1 VAL 40 3.847 1.895 0.282 288 2HG1 VAL 40 2HG1 VAL 40 2.295 1.107 0.563 289 3HG1 VAL 40 3HG1 VAL 40 3.791 0.298 1.029 290 1HG2 VAL 40 1HG2 VAL 40 3.649 0.046 3.297 291 2HG2 VAL 40 2HG2 VAL 40 1.937 0.473 3.279 292 3HG2 VAL 40 3HG2 VAL 40 3.044 1.307 4.371 293 H VAL 41 H VAL 41 5.870 2.730 0.507 294 HA VAL 41 HA VAL 41 5.477 5.584 0.023 295 HB VAL 41 HB VAL 41 7.198 3.660 -1.543 296 1HG1 VAL 41 1HG1 VAL 41 6.644 6.546 -1.674 297 2HG1 VAL 41 2HG1 VAL 41 7.193 5.435 -2.929 298 3HG1 VAL 41 3HG1 VAL 41 8.346 6.099 -1.772 299 1HG2 VAL 41 1HG2 VAL 41 7.753 3.866 0.929 300 2HG2 VAL 41 2HG2 VAL 41 8.164 5.547 0.588 301 3HG2 VAL 41 3HG2 VAL 41 9.048 4.244 -0.207 302 H LEU 42 H LEU 42 3.902 6.254 -1.261 303 HA LEU 42 HA LEU 42 2.480 4.391 -2.949 304 1HB LEU 42 2HB LEU 42 2.012 7.355 -2.717 305 2HB LEU 42 1HB LEU 42 0.881 6.129 -3.261 306 HG LEU 42 HG LEU 42 1.875 6.564 -0.445 307 1HD1 LEU 42 1HD1 LEU 42 -0.106 7.531 0.001 308 2HD1 LEU 42 2HD1 LEU 42 -0.994 6.468 -1.091 309 3HD1 LEU 42 3HD1 LEU 42 -0.112 7.855 -1.732 310 1HD2 LEU 42 1HD2 LEU 42 -0.076 4.715 -0.210 311 2HD2 LEU 42 2HD2 LEU 42 1.644 4.330 -0.272 312 3HD2 LEU 42 3HD2 LEU 42 0.661 4.211 -1.731 313 H SER 43 H SER 43 5.134 6.443 -3.359 314 HA SER 43 HA SER 43 4.628 7.133 -6.108 315 1HB SER 43 2HB SER 43 5.960 8.711 -4.976 316 2HB SER 43 1HB SER 43 6.982 7.466 -4.259 317 HG SER 43 HG SER 43 8.134 7.372 -6.037 318 H THR 44 H THR 44 6.136 4.546 -4.365 319 HA THR 44 HA THR 44 7.404 3.524 -6.784 320 HB THR 44 HB THR 44 8.677 3.530 -4.654 321 HG1 THR 44 HG1 THR 44 8.960 1.898 -6.355 322 1HG2 THR 44 1HG2 THR 44 8.111 2.396 -2.780 323 2HG2 THR 44 2HG2 THR 44 7.167 1.191 -3.657 324 3HG2 THR 44 3HG2 THR 44 6.491 2.791 -3.355 325 H ILE 45 H ILE 45 4.423 3.573 -6.195 326 HA ILE 45 HA ILE 45 3.876 0.686 -6.319 327 HB ILE 45 HB ILE 45 1.872 2.907 -5.921 328 1HG1 ILE 45 2HG1 ILE 45 3.418 2.943 -4.053 329 2HG1 ILE 45 1HG1 ILE 45 1.897 2.230 -3.527 330 1HG2 ILE 45 1HG2 ILE 45 0.335 1.213 -5.334 331 2HG2 ILE 45 2HG2 ILE 45 1.600 -0.011 -5.251 332 3HG2 ILE 45 3HG2 ILE 45 1.124 0.660 -6.810 333 1HD1 ILE 45 1HD1 ILE 45 2.942 -0.018 -3.875 334 2HD1 ILE 45 2HD1 ILE 45 3.649 0.952 -2.582 335 3HD1 ILE 45 3HD1 ILE 45 4.474 0.815 -4.134 336 H ASP 46 H ASP 46 4.098 0.098 -8.406 337 HA ASP 46 HA ASP 46 3.487 1.672 -10.643 338 1HB ASP 46 2HB ASP 46 4.920 -0.384 -10.646 339 2HB ASP 46 1HB ASP 46 3.454 -1.349 -10.507 340 H LYS 47 H LYS 47 1.485 -0.270 -8.574 341 HA LYS 47 HA LYS 47 -0.899 0.819 -9.635 342 1HB LYS 47 2HB LYS 47 -1.629 -0.707 -11.117 343 2HB LYS 47 1HB LYS 47 0.047 -1.229 -11.191 344 1HG LYS 47 2HG LYS 47 -0.398 -2.957 -9.542 345 2HG LYS 47 1HG LYS 47 -2.074 -2.421 -9.415 346 1HD LYS 47 2HD LYS 47 -2.068 -4.301 -10.864 347 2HD LYS 47 1HD LYS 47 -2.288 -2.878 -11.884 348 1HE LYS 47 2HE LYS 47 -0.643 -3.829 -13.099 349 2HE LYS 47 1HE LYS 47 0.399 -3.064 -11.901 350 1HZ LYS 47 1HZ LYS 47 0.797 -5.500 -12.385 351 2HZ LYS 47 2HZ LYS 47 -0.637 -5.812 -11.545 352 3HZ LYS 47 3HZ LYS 47 0.660 -5.070 -10.754 353 H LEU 48 H LEU 48 -2.862 -0.197 -8.634 354 HA LEU 48 HA LEU 48 -2.238 -1.584 -6.123 355 1HB LEU 48 2HB LEU 48 -3.658 -0.150 -4.853 356 2HB LEU 48 1HB LEU 48 -2.518 0.856 -5.724 357 HG LEU 48 HG LEU 48 -4.569 0.893 -7.471 358 1HD1 LEU 48 1HD1 LEU 48 -5.762 -0.470 -5.500 359 2HD1 LEU 48 2HD1 LEU 48 -6.624 0.632 -6.574 360 3HD1 LEU 48 3HD1 LEU 48 -6.118 1.177 -4.975 361 1HD2 LEU 48 1HD2 LEU 48 -4.580 3.081 -6.999 362 2HD2 LEU 48 2HD2 LEU 48 -3.285 2.688 -5.869 363 3HD2 LEU 48 3HD2 LEU 48 -4.947 2.814 -5.296 364 H GLN 49 H GLN 49 -3.311 -3.440 -6.096 365 HA GLN 49 HA GLN 49 -5.919 -3.580 -7.457 366 1HB GLN 49 2HB GLN 49 -3.918 -5.768 -6.863 367 2HB GLN 49 1HB GLN 49 -5.503 -6.034 -7.578 368 1HG GLN 49 2HG GLN 49 -4.878 -4.684 -9.502 369 2HG GLN 49 1HG GLN 49 -3.302 -4.369 -8.780 370 1HE2 GLN 49 1HE2 GLN 49 -3.614 -5.498 -11.297 371 2HE2 GLN 49 2HE2 GLN 49 -3.038 -7.126 -11.256 372 H ALA 50 H ALA 50 -7.596 -4.840 -6.477 373 HA ALA 50 HA ALA 50 -7.262 -5.453 -3.635 374 1HB ALA 50 1HB ALA 50 -9.680 -3.914 -4.497 375 2HB ALA 50 2HB ALA 50 -8.190 -3.079 -4.057 376 3HB ALA 50 3HB ALA 50 -8.999 -4.116 -2.882 377 H THR 51 H THR 51 -9.056 -6.736 -2.759 378 HA THR 51 HA THR 51 -9.779 -8.830 -4.544 379 HB THR 51 HB THR 51 -11.137 -9.634 -2.546 380 HG1 THR 51 HG1 THR 51 -11.543 -7.867 -1.372 381 1HG2 THR 51 1HG2 THR 51 -9.160 -10.079 -1.110 382 2HG2 THR 51 2HG2 THR 51 -8.215 -9.039 -2.175 383 3HG2 THR 51 3HG2 THR 51 -8.942 -10.517 -2.805 384 HA PRO 52 HA PRO 52 -13.641 -7.352 -6.085 385 1HB PRO 52 2HB PRO 52 -14.947 -9.694 -6.513 386 2HB PRO 52 1HB PRO 52 -13.617 -9.136 -7.534 387 1HG PRO 52 2HG PRO 52 -13.581 -11.123 -5.295 388 2HG PRO 52 1HG PRO 52 -12.784 -11.205 -6.877 389 1HD PRO 52 2HD PRO 52 -11.465 -10.502 -4.620 390 2HD PRO 52 1HD PRO 52 -11.044 -9.847 -6.214 391 H ALA 53 H ALA 53 -15.931 -7.253 -5.634 392 HA ALA 53 HA ALA 53 -16.502 -7.201 -2.854 393 1HB ALA 53 1HB ALA 53 -17.507 -5.893 -4.977 394 2HB ALA 53 2HB ALA 53 -18.328 -6.005 -3.420 395 3HB ALA 53 3HB ALA 53 -18.771 -7.097 -4.731 396 H SER 54 H SER 54 -16.599 -9.722 -5.106 397 HA SER 54 HA SER 54 -18.760 -11.160 -3.795 398 1HB SER 54 2HB SER 54 -16.966 -11.866 -6.125 399 2HB SER 54 1HB SER 54 -18.218 -12.935 -5.491 400 HG SER 54 HG SER 54 -19.184 -11.821 -7.106 401 H SER 55 H SER 55 -15.617 -10.619 -3.049 402 HA SER 55 HA SER 55 -15.139 -13.325 -2.029 403 1HB SER 55 2HB SER 55 -12.870 -12.915 -2.143 404 2HB SER 55 1HB SER 55 -13.437 -11.898 -3.467 405 HG SER 55 HG SER 55 -12.455 -11.182 -0.957 406 H GLU 56 H GLU 56 -15.768 -13.645 -0.013 407 HA GLU 56 HA GLU 56 -16.492 -11.646 1.793 408 1HB GLU 56 2HB GLU 56 -15.634 -14.495 2.332 409 2HB GLU 56 1HB GLU 56 -16.409 -13.447 3.511 410 1HG GLU 56 2HG GLU 56 -18.376 -13.289 2.044 411 2HG GLU 56 1HG GLU 56 -17.601 -14.403 0.919 412 H LYS 57 H LYS 57 -13.407 -12.805 0.897 413 HA LYS 57 HA LYS 57 -12.138 -11.778 3.325 414 1HB LYS 57 2HB LYS 57 -10.907 -13.178 0.944 415 2HB LYS 57 1HB LYS 57 -10.080 -12.763 2.439 416 1HG LYS 57 2HG LYS 57 -12.407 -14.661 2.221 417 2HG LYS 57 1HG LYS 57 -10.710 -15.134 2.322 418 1HD LYS 57 2HD LYS 57 -11.020 -15.193 4.536 419 2HD LYS 57 1HD LYS 57 -10.999 -13.431 4.462 420 1HE LYS 57 2HE LYS 57 -13.550 -13.773 3.881 421 2HE LYS 57 1HE LYS 57 -13.301 -15.301 4.724 422 1HZ LYS 57 1HZ LYS 57 -12.974 -14.265 6.703 423 2HZ LYS 57 2HZ LYS 57 -14.002 -13.125 5.993 424 3HZ LYS 57 3HZ LYS 57 -12.330 -12.861 6.011 425 H MET 58 H MET 58 -12.000 -9.612 3.277 426 HA MET 58 HA MET 58 -11.484 -8.178 0.827 427 1HB MET 58 2HB MET 58 -11.506 -7.066 3.632 428 2HB MET 58 1HB MET 58 -11.742 -6.185 2.130 429 1HG MET 58 2HG MET 58 -13.917 -6.653 2.067 430 2HG MET 58 1HG MET 58 -13.657 -8.344 2.489 431 1HE MET 58 1HE MET 58 -15.996 -7.558 3.178 432 2HE MET 58 2HE MET 58 -16.385 -6.655 4.642 433 3HE MET 58 3HE MET 58 -15.965 -8.365 4.747 434 H MET 59 H MET 59 -9.544 -7.740 0.032 435 HA MET 59 HA MET 59 -7.300 -7.231 1.808 436 1HB MET 59 2HB MET 59 -7.204 -9.414 -0.283 437 2HB MET 59 1HB MET 59 -5.837 -8.849 0.666 438 1HG MET 59 2HG MET 59 -7.008 -9.578 2.714 439 2HG MET 59 1HG MET 59 -8.297 -10.232 1.707 440 1HE MET 59 1HE MET 59 -6.378 -13.346 3.138 441 2HE MET 59 2HE MET 59 -7.992 -12.924 2.568 442 3HE MET 59 3HE MET 59 -7.186 -11.909 3.764 443 H LEU 60 H LEU 60 -5.844 -5.815 0.962 444 HA LEU 60 HA LEU 60 -6.305 -4.962 -1.822 445 1HB LEU 60 2HB LEU 60 -6.899 -3.326 0.003 446 2HB LEU 60 1HB LEU 60 -5.196 -3.275 0.416 447 HG LEU 60 HG LEU 60 -4.959 -2.658 -2.157 448 1HD1 LEU 60 1HD1 LEU 60 -7.400 -1.094 -1.755 449 2HD1 LEU 60 2HD1 LEU 60 -7.672 -2.816 -2.018 450 3HD1 LEU 60 3HD1 LEU 60 -6.773 -1.875 -3.208 451 1HD2 LEU 60 1HD2 LEU 60 -4.471 -1.355 0.056 452 2HD2 LEU 60 2HD2 LEU 60 -5.934 -0.471 -0.378 453 3HD2 LEU 60 3HD2 LEU 60 -4.559 -0.496 -1.482 454 H ARG 61 H ARG 61 -4.708 -5.488 -3.148 455 HA ARG 61 HA ARG 61 -2.013 -5.873 -2.050 456 1HB ARG 61 2HB ARG 61 -3.057 -7.774 -3.266 457 2HB ARG 61 1HB ARG 61 -3.127 -6.774 -4.711 458 1HG ARG 61 2HG ARG 61 -0.694 -6.615 -4.729 459 2HG ARG 61 1HG ARG 61 -0.616 -7.607 -3.272 460 1HD ARG 61 2HD ARG 61 -1.791 -8.479 -5.909 461 2HD ARG 61 1HD ARG 61 -0.180 -8.895 -5.330 462 HE ARG 61 HE ARG 61 -1.117 -10.388 -3.833 463 1HH1 ARG 61 1HH1 ARG 61 -3.629 -8.550 -5.418 464 2HH1 ARG 61 2HH1 ARG 61 -4.902 -9.583 -4.865 465 1HH2 ARG 61 1HH2 ARG 61 -2.793 -11.745 -3.110 466 2HH2 ARG 61 2HH2 ARG 61 -4.429 -11.396 -3.556 467 H LEU 62 H LEU 62 -0.276 -4.748 -2.791 468 HA LEU 62 HA LEU 62 -0.798 -2.690 -4.838 469 1HB LEU 62 2HB LEU 62 0.037 -2.388 -2.119 470 2HB LEU 62 1HB LEU 62 1.338 -1.857 -3.167 471 HG LEU 62 HG LEU 62 -0.358 -0.391 -4.343 472 1HD1 LEU 62 1HD1 LEU 62 -2.363 0.186 -2.998 473 2HD1 LEU 62 2HD1 LEU 62 -2.006 -1.186 -1.949 474 3HD1 LEU 62 3HD1 LEU 62 -2.394 -1.455 -3.648 475 1HD2 LEU 62 1HD2 LEU 62 1.311 0.331 -2.582 476 2HD2 LEU 62 2HD2 LEU 62 -0.021 0.263 -1.428 477 3HD2 LEU 62 3HD2 LEU 62 -0.095 1.373 -2.798 478 H ILE 63 H ILE 63 0.451 -2.821 -6.577 479 HA ILE 63 HA ILE 63 2.869 -4.478 -6.446 480 HB ILE 63 HB ILE 63 1.393 -3.526 -8.905 481 1HG1 ILE 63 2HG1 ILE 63 0.923 -6.168 -8.848 482 2HG1 ILE 63 1HG1 ILE 63 1.034 -5.874 -7.116 483 1HG2 ILE 63 1HG2 ILE 63 2.939 -4.575 -10.154 484 2HG2 ILE 63 2HG2 ILE 63 3.080 -5.924 -9.026 485 3HG2 ILE 63 3HG2 ILE 63 3.958 -4.425 -8.721 486 1HD1 ILE 63 1HD1 ILE 63 -0.615 -3.883 -7.808 487 2HD1 ILE 63 2HD1 ILE 63 -1.162 -5.491 -7.335 488 3HD1 ILE 63 3HD1 ILE 63 -1.031 -5.072 -9.043 489 H GLY 64 H GLY 64 4.830 -3.631 -6.680 490 1HA GLY 64 2HA GLY 64 5.106 -0.767 -6.918 491 2HA GLY 64 1HA GLY 64 6.403 -1.921 -6.646 492 H LYS 65 H LYS 65 7.290 -0.201 -8.246 493 HA LYS 65 HA LYS 65 6.781 -1.150 -10.990 494 1HB LYS 65 2HB LYS 65 7.459 1.045 -11.792 495 2HB LYS 65 1HB LYS 65 6.135 1.200 -10.646 496 1HG LYS 65 2HG LYS 65 7.827 1.731 -8.887 497 2HG LYS 65 1HG LYS 65 9.048 1.768 -10.160 498 1HD LYS 65 2HD LYS 65 6.569 3.487 -10.096 499 2HD LYS 65 1HD LYS 65 8.174 4.013 -9.583 500 1HE LYS 65 2HE LYS 65 9.043 3.725 -11.799 501 2HE LYS 65 1HE LYS 65 7.539 2.978 -12.341 502 1HZ LYS 65 1HZ LYS 65 7.790 5.783 -11.396 503 2HZ LYS 65 2HZ LYS 65 6.399 5.056 -12.028 504 3HZ LYS 65 3HZ LYS 65 7.743 5.312 -13.021 505 H VAL 66 H VAL 66 8.836 -0.378 -12.394 506 HA VAL 66 HA VAL 66 11.124 -1.706 -11.118 507 HB VAL 66 HB VAL 66 10.706 -1.176 -14.062 508 1HG1 VAL 66 1HG1 VAL 66 12.445 -3.357 -13.100 509 2HG1 VAL 66 2HG1 VAL 66 13.029 -1.716 -12.822 510 3HG1 VAL 66 3HG1 VAL 66 12.652 -2.252 -14.459 511 1HG2 VAL 66 1HG2 VAL 66 9.098 -2.797 -12.701 512 2HG2 VAL 66 2HG2 VAL 66 10.449 -3.907 -12.930 513 3HG2 VAL 66 3HG2 VAL 66 9.659 -3.180 -14.329 514 H ASP 67 H ASP 67 12.986 -0.655 -10.755 515 HA ASP 67 HA ASP 67 13.121 2.151 -10.910 516 1HB ASP 67 2HB ASP 67 15.300 0.093 -10.502 517 2HB ASP 67 1HB ASP 67 15.536 1.829 -10.314 518 H GLU 68 H GLU 68 14.527 3.488 -12.161 519 HA GLU 68 HA GLU 68 15.013 2.400 -14.847 520 1HB GLU 68 2HB GLU 68 14.628 5.260 -13.946 521 2HB GLU 68 1HB GLU 68 14.967 4.766 -15.599 522 1HG GLU 68 2HG GLU 68 12.872 3.479 -15.619 523 2HG GLU 68 1HG GLU 68 12.525 4.055 -13.989 524 H SER 69 H SER 69 16.824 1.959 -12.708 525 HA SER 69 HA SER 69 19.001 3.777 -12.801 526 1HB SER 69 2HB SER 69 19.008 0.861 -11.991 527 2HB SER 69 1HB SER 69 20.253 2.049 -11.606 528 HG SER 69 HG SER 69 18.733 3.169 -10.365 529 H LYS 70 H LYS 70 18.003 1.152 -14.798 530 HA LYS 70 HA LYS 70 20.435 0.434 -15.980 531 1HB LYS 70 2HB LYS 70 19.082 -0.434 -17.832 532 2HB LYS 70 1HB LYS 70 18.394 -0.874 -16.275 533 1HG LYS 70 2HG LYS 70 16.771 0.959 -16.493 534 2HG LYS 70 1HG LYS 70 17.441 1.336 -18.082 535 1HD LYS 70 2HD LYS 70 15.509 0.007 -18.455 536 2HD LYS 70 1HD LYS 70 16.903 -1.036 -18.744 537 1HE LYS 70 2HE LYS 70 16.445 -2.360 -16.975 538 2HE LYS 70 1HE LYS 70 15.884 -1.014 -15.982 539 1HZ LYS 70 1HZ LYS 70 14.036 -2.409 -16.421 540 2HZ LYS 70 2HZ LYS 70 14.363 -2.455 -18.079 541 3HZ LYS 70 3HZ LYS 70 13.828 -1.018 -17.363 542 H LYS 71 H LYS 71 18.149 3.007 -16.754 543 HA LYS 71 HA LYS 71 19.454 3.844 -19.135 544 1HB LYS 71 2HB LYS 71 17.222 4.757 -17.471 545 2HB LYS 71 1HB LYS 71 18.110 6.071 -18.230 546 1HG LYS 71 2HG LYS 71 16.375 5.528 -19.714 547 2HG LYS 71 1HG LYS 71 17.835 4.820 -20.411 548 1HD LYS 71 2HD LYS 71 17.227 2.639 -19.580 549 2HD LYS 71 1HD LYS 71 15.842 3.313 -18.720 550 1HE LYS 71 2HE LYS 71 15.213 4.169 -21.141 551 2HE LYS 71 1HE LYS 71 16.221 2.806 -21.627 552 1HZ LYS 71 1HZ LYS 71 14.115 1.895 -21.484 553 2HZ LYS 71 2HZ LYS 71 13.693 2.786 -20.110 554 3HZ LYS 71 3HZ LYS 71 14.777 1.494 -19.979 555 H ARG 72 H ARG 72 20.724 5.716 -19.481 556 HA ARG 72 HA ARG 72 22.417 7.173 -19.056 557 1HB ARG 72 2HB ARG 72 20.490 7.666 -17.079 558 2HB ARG 72 1HB ARG 72 22.025 7.607 -16.223 559 1HG ARG 72 2HG ARG 72 22.933 9.288 -17.761 560 2HG ARG 72 1HG ARG 72 21.373 9.363 -18.581 561 1HD ARG 72 2HD ARG 72 21.902 10.040 -15.690 562 2HD ARG 72 1HD ARG 72 21.615 11.194 -16.990 563 HE ARG 72 HE ARG 72 19.651 9.740 -15.529 564 1HH1 ARG 72 1HH1 ARG 72 20.355 11.091 -18.669 565 2HH1 ARG 72 2HH1 ARG 72 18.688 11.281 -19.099 566 1HH2 ARG 72 1HH2 ARG 72 17.458 9.989 -16.093 567 2HH2 ARG 72 2HH2 ARG 72 17.043 10.657 -17.637 568 H LYS 73 H LYS 73 24.540 6.959 -18.589 569 HA LYS 73 HA LYS 73 25.526 4.519 -17.633 570 1HB LYS 73 2HB LYS 73 26.585 6.673 -18.964 571 2HB LYS 73 1HB LYS 73 27.377 6.787 -17.400 572 1HG LYS 73 2HG LYS 73 28.810 5.500 -18.726 573 2HG LYS 73 1HG LYS 73 27.976 4.337 -17.693 574 1HD LYS 73 2HD LYS 73 26.498 3.720 -19.477 575 2HD LYS 73 1HD LYS 73 27.124 5.012 -20.505 576 1HE LYS 73 2HE LYS 73 29.367 3.896 -20.373 577 2HE LYS 73 1HE LYS 73 28.574 2.543 -19.568 578 1HZ LYS 73 1HZ LYS 73 27.197 2.218 -21.510 579 2HZ LYS 73 2HZ LYS 73 28.828 2.172 -21.952 580 3HZ LYS 73 3HZ LYS 73 27.901 3.548 -22.281 581 H ASP 74 H ASP 74 27.621 5.137 -15.915 582 HA ASP 74 HA ASP 74 26.350 6.218 -13.507 583 1HB ASP 74 2HB ASP 74 26.243 3.618 -13.728 584 2HB ASP 74 1HB ASP 74 27.955 3.688 -13.319 585 H ASN 75 H ASN 75 28.020 6.406 -11.695 586 HA ASN 75 HA ASN 75 30.184 7.954 -12.658 587 1HB ASN 75 2HB ASN 75 29.590 6.906 -9.888 588 2HB ASN 75 1HB ASN 75 30.866 8.063 -10.256 589 1HD2 ASN 75 1HD2 ASN 75 28.830 8.603 -8.464 590 2HD2 ASN 75 2HD2 ASN 75 27.833 9.859 -9.108 591 H GLU 76 H GLU 76 29.876 4.663 -11.588 592 HA GLU 76 HA GLU 76 32.679 4.206 -12.341 593 1HB GLU 76 2HB GLU 76 31.220 3.300 -9.885 594 2HB GLU 76 1HB GLU 76 32.551 2.344 -10.522 595 1HG GLU 76 2HG GLU 76 32.698 5.226 -9.669 596 2HG GLU 76 1HG GLU 76 33.291 3.840 -8.753 597 H GLY 77 H GLY 77 30.384 3.898 -13.975 598 1HA GLY 77 2HA GLY 77 29.349 2.379 -15.359 599 2HA GLY 77 1HA GLY 77 30.838 1.464 -15.188 600 H ASN 78 H ASN 78 28.840 2.135 -12.422 601 HA ASN 78 HA ASN 78 28.342 -0.727 -12.136 602 1HB ASN 78 2HB ASN 78 27.928 1.547 -10.183 603 2HB ASN 78 1HB ASN 78 27.690 -0.160 -9.822 604 1HD2 ASN 78 1HD2 ASN 78 29.810 -1.360 -10.940 605 2HD2 ASN 78 2HD2 ASN 78 31.280 -0.803 -10.223 606 H GLU 79 H GLU 79 26.324 -1.636 -11.966 607 HA GLU 79 HA GLU 79 24.014 0.130 -12.387 608 1HB GLU 79 2HB GLU 79 23.079 -1.417 -14.012 609 2HB GLU 79 1HB GLU 79 24.665 -0.875 -14.543 610 1HG GLU 79 2HG GLU 79 25.625 -2.985 -13.670 611 2HG GLU 79 1HG GLU 79 23.991 -3.525 -13.287 612 H VAL 80 H VAL 80 21.910 -1.155 -12.059 613 HA VAL 80 HA VAL 80 22.249 -3.088 -9.862 614 HB VAL 80 HB VAL 80 20.252 -2.118 -8.765 615 1HG1 VAL 80 1HG1 VAL 80 22.266 0.072 -9.105 616 2HG1 VAL 80 2HG1 VAL 80 22.696 -1.442 -8.310 617 3HG1 VAL 80 3HG1 VAL 80 21.407 -0.434 -7.650 618 1HG2 VAL 80 1HG2 VAL 80 19.044 -0.409 -9.599 619 2HG2 VAL 80 2HG2 VAL 80 19.745 -0.914 -11.136 620 3HG2 VAL 80 3HG2 VAL 80 20.464 0.421 -10.235 621 H VAL 81 H VAL 81 20.261 -4.382 -9.450 622 HA VAL 81 HA VAL 81 18.907 -4.986 -11.997 623 HB VAL 81 HB VAL 81 19.310 -6.860 -9.663 624 1HG1 VAL 81 1HG1 VAL 81 18.772 -8.568 -11.454 625 2HG1 VAL 81 2HG1 VAL 81 18.228 -7.215 -12.445 626 3HG1 VAL 81 3HG1 VAL 81 17.433 -7.559 -10.909 627 1HG2 VAL 81 1HG2 VAL 81 21.311 -5.967 -11.271 628 2HG2 VAL 81 2HG2 VAL 81 20.756 -7.383 -12.163 629 3HG2 VAL 81 3HG2 VAL 81 21.285 -7.547 -10.488 630 HA PRO 82 HA PRO 82 15.491 -3.114 -9.553 631 1HB PRO 82 2HB PRO 82 14.228 -3.664 -12.200 632 2HB PRO 82 1HB PRO 82 14.138 -2.217 -11.189 633 1HG PRO 82 2HG PRO 82 15.671 -2.252 -13.363 634 2HG PRO 82 1HG PRO 82 16.212 -1.440 -11.882 635 1HD PRO 82 2HD PRO 82 17.064 -4.057 -13.033 636 2HD PRO 82 1HD PRO 82 18.014 -2.851 -12.141 637 H LYS 83 H LYS 83 13.851 -4.099 -8.484 638 HA LYS 83 HA LYS 83 12.849 -6.671 -9.447 639 1HB LYS 83 2HB LYS 83 14.707 -7.212 -7.936 640 2HB LYS 83 1HB LYS 83 13.965 -6.246 -6.669 641 1HG LYS 83 2HG LYS 83 13.500 -8.532 -6.213 642 2HG LYS 83 1HG LYS 83 11.999 -7.780 -6.754 643 1HD LYS 83 2HD LYS 83 12.943 -8.641 -9.114 644 2HD LYS 83 1HD LYS 83 13.664 -9.851 -8.051 645 1HE LYS 83 2HE LYS 83 11.673 -10.788 -7.546 646 2HE LYS 83 1HE LYS 83 10.825 -9.243 -7.555 647 1HZ LYS 83 1HZ LYS 83 10.001 -10.470 -9.367 648 2HZ LYS 83 2HZ LYS 83 11.546 -10.931 -9.880 649 3HZ LYS 83 3HZ LYS 83 11.045 -9.323 -10.043 650 HA PRO 84 HA PRO 84 9.321 -3.958 -8.262 651 1HB PRO 84 2HB PRO 84 7.997 -6.280 -9.587 652 2HB PRO 84 1HB PRO 84 7.700 -4.548 -9.787 653 1HG PRO 84 2HG PRO 84 9.036 -5.912 -11.639 654 2HG PRO 84 1HG PRO 84 9.517 -4.263 -11.199 655 1HD PRO 84 2HD PRO 84 10.784 -6.865 -10.474 656 2HD PRO 84 1HD PRO 84 11.539 -5.293 -10.805 657 H GLN 85 H GLN 85 8.422 -4.060 -6.310 658 HA GLN 85 HA GLN 85 8.083 -6.699 -5.054 659 1HB GLN 85 2HB GLN 85 8.406 -3.971 -3.792 660 2HB GLN 85 1HB GLN 85 8.122 -5.458 -2.899 661 1HG GLN 85 2HG GLN 85 10.226 -6.366 -3.703 662 2HG GLN 85 1HG GLN 85 10.507 -4.906 -4.651 663 1HE2 GLN 85 1HE2 GLN 85 12.336 -5.800 -2.802 664 2HE2 GLN 85 2HE2 GLN 85 12.403 -4.693 -1.477 665 H ARG 86 H ARG 86 6.183 -7.156 -3.890 666 HA ARG 86 HA ARG 86 3.905 -5.391 -4.517 667 1HB ARG 86 2HB ARG 86 3.967 -8.412 -4.447 668 2HB ARG 86 1HB ARG 86 2.508 -7.447 -4.623 669 1HG ARG 86 2HG ARG 86 3.423 -6.503 -6.711 670 2HG ARG 86 1HG ARG 86 4.825 -7.562 -6.544 671 1HD ARG 86 2HD ARG 86 3.232 -9.501 -6.520 672 2HD ARG 86 1HD ARG 86 1.948 -8.367 -6.936 673 HE ARG 86 HE ARG 86 3.798 -7.919 -8.852 674 1HH1 ARG 86 1HH1 ARG 86 2.258 -10.817 -7.666 675 2HH1 ARG 86 2HH1 ARG 86 2.350 -11.640 -9.187 676 1HH2 ARG 86 1HH2 ARG 86 3.921 -8.998 -10.854 677 2HH2 ARG 86 2HH2 ARG 86 3.293 -10.607 -10.998 678 H HIS 87 H HIS 87 2.573 -4.859 -2.884 679 HA HIS 87 HA HIS 87 3.152 -6.024 -0.244 680 1HB HIS 87 2HB HIS 87 2.282 -3.285 -1.113 681 2HB HIS 87 1HB HIS 87 1.931 -3.844 0.518 682 HD1 HIS 87 HD1 HIS 87 3.704 -3.408 2.190 683 HD2 HIS 87 HD2 HIS 87 5.199 -3.430 -1.687 684 HE1 HIS 87 HE1 HIS 87 6.124 -2.759 2.402 685 HE2 HIS 87 HE2 HIS 87 6.986 -2.697 0.034 686 H MET 88 H MET 88 1.681 -7.438 0.420 687 HA MET 88 HA MET 88 -1.069 -7.208 -0.566 688 1HB MET 88 2HB MET 88 0.348 -9.498 0.812 689 2HB MET 88 1HB MET 88 -1.325 -9.531 0.274 690 1HG MET 88 2HG MET 88 -0.560 -9.181 -2.040 691 2HG MET 88 1HG MET 88 1.107 -9.237 -1.472 692 1HE MET 88 1HE MET 88 1.251 -10.645 -3.385 693 2HE MET 88 2HE MET 88 0.218 -12.030 -3.734 694 3HE MET 88 3HE MET 88 1.756 -12.263 -2.905 695 H PHE 89 H PHE 89 -2.639 -6.488 0.707 696 HA PHE 89 HA PHE 89 -2.170 -6.439 3.616 697 1HB PHE 89 2HB PHE 89 -3.613 -4.475 1.840 698 2HB PHE 89 1HB PHE 89 -3.772 -4.471 3.593 699 HD1 PHE 89 HD1 PHE 89 -1.860 -3.910 5.009 700 HD2 PHE 89 HD2 PHE 89 -1.641 -3.674 0.768 701 HE1 PHE 89 HE1 PHE 89 0.171 -2.530 5.195 702 HE2 PHE 89 HE2 PHE 89 0.388 -2.298 0.943 703 HZ PHE 89 HZ PHE 89 1.298 -1.723 3.159 704 H SER 90 H SER 90 -4.133 -6.492 4.951 705 HA SER 90 HA SER 90 -6.329 -7.988 3.682 706 1HB SER 90 2HB SER 90 -4.588 -8.788 5.911 707 2HB SER 90 1HB SER 90 -6.310 -8.957 6.254 708 HG SER 90 HG SER 90 -4.707 -10.350 4.493 709 H PHE 91 H PHE 91 -8.181 -6.922 3.886 710 HA PHE 91 HA PHE 91 -8.449 -4.943 6.016 711 1HB PHE 91 2HB PHE 91 -9.731 -5.337 3.347 712 2HB PHE 91 1HB PHE 91 -10.589 -4.419 4.581 713 HD1 PHE 91 HD1 PHE 91 -7.560 -4.555 2.507 714 HD2 PHE 91 HD2 PHE 91 -9.907 -2.242 5.195 715 HE1 PHE 91 HE1 PHE 91 -6.238 -2.565 1.933 716 HE2 PHE 91 HE2 PHE 91 -8.590 -0.236 4.625 717 HZ PHE 91 HZ PHE 91 -6.752 -0.398 2.992 718 H ASN 92 H ASN 92 -9.967 -5.012 7.560 719 HA ASN 92 HA ASN 92 -11.520 -7.484 7.777 720 1HB ASN 92 2HB ASN 92 -10.050 -6.815 9.676 721 2HB ASN 92 1HB ASN 92 -11.018 -5.357 9.872 722 1HD2 ASN 92 1HD2 ASN 92 -11.237 -8.881 9.826 723 2HD2 ASN 92 2HD2 ASN 92 -12.524 -8.993 10.972 724 H ASN 93 H ASN 93 -12.037 -4.737 6.287 725 HA ASN 93 HA ASN 93 -14.875 -4.817 6.735 726 1HB ASN 93 2HB ASN 93 -13.934 -3.208 8.458 727 2HB ASN 93 1HB ASN 93 -13.481 -2.172 7.108 728 1HD2 ASN 93 1HD2 ASN 93 -15.114 -1.148 8.953 729 2HD2 ASN 93 2HD2 ASN 93 -16.726 -1.005 8.348 730 H ARG 94 H ARG 94 -15.803 -4.744 4.813 731 HA ARG 94 HA ARG 94 -14.389 -4.127 2.452 732 1HB ARG 94 2HB ARG 94 -16.499 -4.443 1.299 733 2HB ARG 94 1HB ARG 94 -16.305 -5.683 2.530 734 1HG ARG 94 2HG ARG 94 -17.768 -4.343 4.027 735 2HG ARG 94 1HG ARG 94 -18.045 -3.233 2.683 736 1HD ARG 94 2HD ARG 94 -18.899 -5.153 1.353 737 2HD ARG 94 1HD ARG 94 -18.742 -6.165 2.788 738 HE ARG 94 HE ARG 94 -20.814 -4.269 2.231 739 1HH1 ARG 94 1HH1 ARG 94 -19.046 -5.860 4.784 740 2HH1 ARG 94 2HH1 ARG 94 -20.315 -5.678 5.947 741 1HH2 ARG 94 1HH2 ARG 94 -22.485 -4.029 3.759 742 2HH2 ARG 94 2HH2 ARG 94 -22.267 -4.638 5.366 743 H THR 95 H THR 95 -16.313 -2.207 4.612 744 HA THR 95 HA THR 95 -16.739 -0.057 2.802 745 HB THR 95 HB THR 95 -17.354 -0.690 5.593 746 HG1 THR 95 HG1 THR 95 -18.857 -0.576 3.816 747 1HG2 THR 95 1HG2 THR 95 -16.187 1.230 6.235 748 2HG2 THR 95 2HG2 THR 95 -17.878 1.716 6.124 749 3HG2 THR 95 3HG2 THR 95 -16.751 2.142 4.835 750 H VAL 96 H VAL 96 -14.536 -0.700 5.446 751 HA VAL 96 HA VAL 96 -13.115 1.737 5.259 752 HB VAL 96 HB VAL 96 -12.134 -0.881 6.398 753 1HG1 VAL 96 1HG1 VAL 96 -10.302 0.177 7.121 754 2HG1 VAL 96 2HG1 VAL 96 -11.211 1.606 7.611 755 3HG1 VAL 96 3HG1 VAL 96 -10.706 1.416 5.933 756 1HG2 VAL 96 1HG2 VAL 96 -13.340 -0.550 8.260 757 2HG2 VAL 96 2HG2 VAL 96 -14.335 0.491 7.242 758 3HG2 VAL 96 3HG2 VAL 96 -13.064 1.192 8.245 759 H MET 97 H MET 97 -12.826 -1.364 3.713 760 HA MET 97 HA MET 97 -10.241 -0.869 2.591 761 1HB MET 97 2HB MET 97 -10.369 -2.975 1.695 762 2HB MET 97 1HB MET 97 -11.544 -3.133 2.991 763 1HG MET 97 2HG MET 97 -12.765 -4.026 1.318 764 2HG MET 97 1HG MET 97 -13.194 -2.337 1.072 765 1HE MET 97 1HE MET 97 -11.772 -5.075 -2.014 766 2HE MET 97 2HE MET 97 -12.787 -5.274 -0.587 767 3HE MET 97 3HE MET 97 -11.033 -5.398 -0.445 768 H ASP 98 H ASP 98 -13.550 -0.334 1.580 769 HA ASP 98 HA ASP 98 -12.905 0.300 -1.118 770 1HB ASP 98 2HB ASP 98 -15.366 0.784 0.553 771 2HB ASP 98 1HB ASP 98 -15.249 1.265 -1.137 772 H ASN 99 H ASN 99 -13.076 2.051 1.859 773 HA ASN 99 HA ASN 99 -13.158 4.654 0.735 774 1HB ASN 99 2HB ASN 99 -12.294 3.705 3.468 775 2HB ASN 99 1HB ASN 99 -12.478 5.398 3.021 776 1HD2 ASN 99 1HD2 ASN 99 -13.870 4.247 5.113 777 2HD2 ASN 99 2HD2 ASN 99 -15.550 4.204 4.714 778 H ILE 100 H ILE 100 -10.639 2.426 1.566 779 HA ILE 100 HA ILE 100 -8.519 4.365 1.173 780 HB ILE 100 HB ILE 100 -8.347 1.380 1.609 781 1HG1 ILE 100 2HG1 ILE 100 -9.393 2.678 3.481 782 2HG1 ILE 100 1HG1 ILE 100 -7.896 1.865 3.920 783 1HG2 ILE 100 1HG2 ILE 100 -6.231 3.522 1.704 784 2HG2 ILE 100 2HG2 ILE 100 -6.359 2.207 0.535 785 3HG2 ILE 100 3HG2 ILE 100 -6.002 1.853 2.226 786 1HD1 ILE 100 1HD1 ILE 100 -8.282 4.269 4.722 787 2HD1 ILE 100 2HD1 ILE 100 -7.890 4.729 3.065 788 3HD1 ILE 100 3HD1 ILE 100 -6.710 3.853 4.040 789 H LYS 101 H LYS 101 -9.779 1.478 -0.453 790 HA LYS 101 HA LYS 101 -7.934 1.316 -2.527 791 1HB LYS 101 2HB LYS 101 -9.603 -0.423 -2.034 792 2HB LYS 101 1HB LYS 101 -10.879 0.640 -2.612 793 1HG LYS 101 2HG LYS 101 -10.044 0.554 -4.843 794 2HG LYS 101 1HG LYS 101 -8.586 -0.291 -4.321 795 1HD LYS 101 2HD LYS 101 -9.868 -2.025 -5.147 796 2HD LYS 101 1HD LYS 101 -10.267 -2.069 -3.428 797 1HE LYS 101 2HE LYS 101 -12.228 -2.258 -4.973 798 2HE LYS 101 1HE LYS 101 -12.332 -0.949 -3.795 799 1HZ LYS 101 1HZ LYS 101 -12.064 0.639 -5.398 800 2HZ LYS 101 2HZ LYS 101 -12.894 -0.533 -6.290 801 3HZ LYS 101 3HZ LYS 101 -11.218 -0.381 -6.450 802 H MET 102 H MET 102 -10.890 3.246 -2.276 803 HA MET 102 HA MET 102 -10.715 4.240 -4.946 804 1HB MET 102 2HB MET 102 -12.318 5.165 -2.565 805 2HB MET 102 1HB MET 102 -12.467 5.862 -4.173 806 1HG MET 102 2HG MET 102 -13.078 3.602 -5.019 807 2HG MET 102 1HG MET 102 -13.092 3.038 -3.349 808 1HE MET 102 1HE MET 102 -14.019 4.683 -1.636 809 2HE MET 102 2HE MET 102 -15.734 4.280 -1.578 810 3HE MET 102 3HE MET 102 -15.227 5.924 -1.963 811 H THR 103 H THR 103 -9.788 5.453 -1.794 812 HA THR 103 HA THR 103 -8.982 8.007 -2.743 813 HB THR 103 HB THR 103 -9.585 7.240 -0.317 814 HG1 THR 103 HG1 THR 103 -7.415 9.007 -0.759 815 1HG2 THR 103 1HG2 THR 103 -8.066 6.299 1.008 816 2HG2 THR 103 2HG2 THR 103 -6.742 7.236 0.317 817 3HG2 THR 103 3HG2 THR 103 -7.299 5.771 -0.489 818 H LEU 104 H LEU 104 -7.446 4.906 -2.441 819 HA LEU 104 HA LEU 104 -4.768 5.847 -2.754 820 1HB LEU 104 2HB LEU 104 -6.089 3.159 -2.965 821 2HB LEU 104 1HB LEU 104 -4.413 3.371 -3.437 822 HG LEU 104 HG LEU 104 -5.569 3.867 -0.693 823 1HD1 LEU 104 1HD1 LEU 104 -3.782 1.723 -1.820 824 2HD1 LEU 104 2HD1 LEU 104 -5.369 1.531 -1.075 825 3HD1 LEU 104 3HD1 LEU 104 -3.987 2.014 -0.093 826 1HD2 LEU 104 1HD2 LEU 104 -3.853 5.473 -1.020 827 2HD2 LEU 104 2HD2 LEU 104 -2.804 4.291 -1.801 828 3HD2 LEU 104 3HD2 LEU 104 -3.147 4.161 -0.076 829 H GLN 105 H GLN 105 -7.343 4.845 -4.912 830 HA GLN 105 HA GLN 105 -5.768 4.615 -7.248 831 1HB GLN 105 2HB GLN 105 -8.704 5.025 -6.766 832 2HB GLN 105 1HB GLN 105 -8.045 5.026 -8.396 833 1HG GLN 105 2HG GLN 105 -7.214 2.773 -8.094 834 2HG GLN 105 1HG GLN 105 -7.779 2.767 -6.425 835 1HE2 GLN 105 1HE2 GLN 105 -8.643 2.444 -9.739 836 2HE2 GLN 105 2HE2 GLN 105 -10.293 1.989 -9.491 837 H GLN 106 H GLN 106 -7.303 7.292 -5.648 838 HA GLN 106 HA GLN 106 -7.121 9.149 -7.770 839 1HB GLN 106 2HB GLN 106 -7.190 9.593 -4.779 840 2HB GLN 106 1HB GLN 106 -7.342 10.873 -5.975 841 1HG GLN 106 2HG GLN 106 -9.379 9.858 -6.828 842 2HG GLN 106 1HG GLN 106 -9.220 8.539 -5.669 843 1HE2 GLN 106 1HE2 GLN 106 -11.486 10.122 -5.821 844 2HE2 GLN 106 2HE2 GLN 106 -11.615 11.063 -4.378 845 H ILE 107 H ILE 107 -4.937 8.281 -5.132 846 HA ILE 107 HA ILE 107 -2.997 10.254 -5.531 847 HB ILE 107 HB ILE 107 -2.641 7.404 -4.589 848 1HG1 ILE 107 2HG1 ILE 107 -2.770 9.923 -2.931 849 2HG1 ILE 107 1HG1 ILE 107 -4.199 8.962 -3.305 850 1HG2 ILE 107 1HG2 ILE 107 -0.700 9.169 -3.499 851 2HG2 ILE 107 2HG2 ILE 107 -0.690 9.348 -5.253 852 3HG2 ILE 107 3HG2 ILE 107 -0.456 7.758 -4.527 853 1HD1 ILE 107 1HD1 ILE 107 -3.744 7.845 -1.444 854 2HD1 ILE 107 2HD1 ILE 107 -2.118 8.523 -1.337 855 3HD1 ILE 107 3HD1 ILE 107 -2.418 7.103 -2.339 856 H ILE 108 H ILE 108 -3.411 7.069 -6.992 857 HA ILE 108 HA ILE 108 -1.112 6.875 -8.529 858 HB ILE 108 HB ILE 108 -3.798 6.080 -9.605 859 1HG1 ILE 108 2HG1 ILE 108 -3.963 5.251 -7.416 860 2HG1 ILE 108 1HG1 ILE 108 -3.387 3.884 -8.362 861 1HG2 ILE 108 1HG2 ILE 108 -2.345 4.074 -10.308 862 2HG2 ILE 108 2HG2 ILE 108 -0.987 5.141 -9.952 863 3HG2 ILE 108 3HG2 ILE 108 -2.177 5.605 -11.168 864 1HD1 ILE 108 1HD1 ILE 108 -2.214 5.145 -6.082 865 2HD1 ILE 108 2HD1 ILE 108 -1.098 5.200 -7.446 866 3HD1 ILE 108 3HD1 ILE 108 -1.749 3.653 -6.899 867 H SER 109 H SER 109 -4.221 8.202 -9.393 868 HA SER 109 HA SER 109 -3.622 9.105 -11.954 869 1HB SER 109 2HB SER 109 -5.915 8.986 -10.990 870 2HB SER 109 1HB SER 109 -5.540 10.407 -10.013 871 HG SER 109 HG SER 109 -6.617 10.994 -11.925 872 H ARG 110 H ARG 110 -2.937 10.529 -8.865 873 HA ARG 110 HA ARG 110 -2.268 13.106 -9.850 874 1HB ARG 110 2HB ARG 110 -1.619 11.725 -7.251 875 2HB ARG 110 1HB ARG 110 -1.174 13.390 -7.599 876 1HG ARG 110 2HG ARG 110 -3.613 13.853 -7.982 877 2HG ARG 110 1HG ARG 110 -3.940 12.239 -7.349 878 1HD ARG 110 2HD ARG 110 -2.860 12.829 -5.247 879 2HD ARG 110 1HD ARG 110 -2.475 14.429 -5.880 880 HE ARG 110 HE ARG 110 -4.639 15.081 -5.481 881 1HH1 ARG 110 1HH1 ARG 110 -4.426 11.606 -5.230 882 2HH1 ARG 110 2HH1 ARG 110 -6.023 11.429 -4.584 883 1HH2 ARG 110 1HH2 ARG 110 -6.739 14.850 -4.633 884 2HH2 ARG 110 2HH2 ARG 110 -7.337 13.271 -4.246 885 H TYR 111 H TYR 111 -0.517 10.149 -9.318 886 HA TYR 111 HA TYR 111 2.080 11.274 -9.649 887 1HB TYR 111 2HB TYR 111 0.963 8.507 -9.550 888 2HB TYR 111 1HB TYR 111 2.585 8.736 -10.198 889 HD1 TYR 111 HD1 TYR 111 4.346 9.770 -8.746 890 HD2 TYR 111 HD2 TYR 111 0.551 8.601 -7.220 891 HE1 TYR 111 HE1 TYR 111 5.256 9.822 -6.462 892 HE2 TYR 111 HE2 TYR 111 1.451 8.649 -4.931 893 HH TYR 111 HH TYR 111 4.505 10.016 -4.185 894 H LYS 112 H LYS 112 -0.365 10.078 -11.782 895 HA LYS 112 HA LYS 112 1.274 9.744 -14.074 896 1HB LYS 112 2HB LYS 112 -1.705 10.157 -13.797 897 2HB LYS 112 1HB LYS 112 -0.900 9.774 -15.313 898 1HG LYS 112 2HG LYS 112 -0.067 7.678 -14.274 899 2HG LYS 112 1HG LYS 112 -1.034 8.054 -12.847 900 1HD LYS 112 2HD LYS 112 -2.569 8.226 -15.313 901 2HD LYS 112 1HD LYS 112 -1.869 6.626 -15.063 902 1HE LYS 112 2HE LYS 112 -2.814 7.182 -12.579 903 2HE LYS 112 1HE LYS 112 -3.997 8.014 -13.587 904 1HZ LYS 112 1HZ LYS 112 -4.474 5.616 -13.021 905 2HZ LYS 112 2HZ LYS 112 -3.219 5.202 -14.077 906 3HZ LYS 112 3HZ LYS 112 -4.575 6.030 -14.659 907 H ASP 113 H ASP 113 -0.664 12.395 -12.786 908 HA ASP 113 HA ASP 113 -0.519 14.128 -14.977 909 1HB ASP 113 2HB ASP 113 -1.982 14.419 -12.960 910 2HB ASP 113 1HB ASP 113 -0.557 14.934 -12.063 911 H ALA 114 H ALA 114 1.743 13.523 -12.352 912 HA ALA 114 HA ALA 114 3.464 15.694 -12.766 913 1HB ALA 114 1HB ALA 114 5.192 14.100 -11.719 914 2HB ALA 114 2HB ALA 114 3.843 12.976 -11.564 915 3HB ALA 114 3HB ALA 114 3.779 14.546 -10.765 916 H ASP 115 H ASP 115 3.191 12.603 -14.386 917 HA ASP 115 HA ASP 115 5.378 13.413 -16.190 918 1HB ASP 115 2HB ASP 115 4.546 10.633 -15.336 919 2HB ASP 115 1HB ASP 115 5.698 10.964 -16.626 Start of MODEL 12 1 HT1 PRO 1 HT2 PRO 1 -12.865 11.740 6.804 2 HT2 PRO 1 HT1 PRO 1 -13.360 10.157 6.400 3 HA PRO 1 HA PRO 1 -10.842 11.106 6.987 4 1HB PRO 1 2HB PRO 1 -11.280 8.817 8.780 5 2HB PRO 1 1HB PRO 1 -10.357 10.301 9.048 6 1HG PRO 1 2HG PRO 1 -12.760 9.844 10.225 7 2HG PRO 1 1HG PRO 1 -12.187 11.465 9.805 8 1HD PRO 1 2HD PRO 1 -14.219 9.755 8.435 9 2HD PRO 1 1HD PRO 1 -14.169 11.520 8.620 10 H SER 2 H SER 2 -12.163 10.017 4.803 11 HA SER 2 HA SER 2 -11.928 7.250 4.469 12 1HB SER 2 2HB SER 2 -11.637 9.385 2.341 13 2HB SER 2 1HB SER 2 -12.044 7.689 2.072 14 HG SER 2 HG SER 2 -13.594 9.710 3.289 15 H HIS 3 H HIS 3 -9.571 9.826 4.135 16 HA HIS 3 HA HIS 3 -7.567 8.436 2.775 17 1HB HIS 3 2HB HIS 3 -7.506 10.739 4.704 18 2HB HIS 3 1HB HIS 3 -6.020 10.077 4.034 19 HD1 HIS 3 HD1 HIS 3 -9.153 11.894 3.011 20 HD2 HIS 3 HD2 HIS 3 -5.474 10.799 1.422 21 HE1 HIS 3 HE1 HIS 3 -8.972 13.126 0.827 22 HE2 HIS 3 HE2 HIS 3 -6.774 12.381 -0.157 23 H SER 4 H SER 4 -8.626 8.233 6.049 24 HA SER 4 HA SER 4 -6.395 6.400 6.645 25 1HB SER 4 2HB SER 4 -6.706 6.992 9.031 26 2HB SER 4 1HB SER 4 -6.268 8.390 8.050 27 HG SER 4 HG SER 4 -8.238 8.317 9.653 28 H GLY 5 H GLY 5 -6.898 4.369 7.102 29 1HA GLY 5 2HA GLY 5 -9.452 3.670 8.283 30 2HA GLY 5 1HA GLY 5 -9.219 3.101 6.635 31 H ALA 6 H ALA 6 -9.471 1.635 9.227 32 HA ALA 6 HA ALA 6 -6.980 0.585 9.980 33 1HB ALA 6 1HB ALA 6 -8.925 0.319 11.388 34 2HB ALA 6 2HB ALA 6 -8.241 -1.257 10.984 35 3HB ALA 6 3HB ALA 6 -9.699 -0.691 10.166 36 H ALA 7 H ALA 7 -5.783 -1.092 9.293 37 HA ALA 7 HA ALA 7 -6.764 -2.927 7.299 38 1HB ALA 7 1HB ALA 7 -6.130 -1.062 5.894 39 2HB ALA 7 2HB ALA 7 -5.010 -2.403 5.653 40 3HB ALA 7 3HB ALA 7 -4.531 -1.020 6.637 41 H ILE 8 H ILE 8 -5.497 -4.800 7.063 42 HA ILE 8 HA ILE 8 -3.554 -5.196 9.215 43 HB ILE 8 HB ILE 8 -4.704 -7.260 7.346 44 1HG1 ILE 8 2HG1 ILE 8 -5.610 -6.760 10.170 45 2HG1 ILE 8 1HG1 ILE 8 -6.396 -6.006 8.782 46 1HG2 ILE 8 1HG2 ILE 8 -3.716 -8.877 8.611 47 2HG2 ILE 8 2HG2 ILE 8 -3.712 -7.890 10.072 48 3HG2 ILE 8 3HG2 ILE 8 -2.528 -7.590 8.804 49 1HD1 ILE 8 1HD1 ILE 8 -5.982 -8.950 8.836 50 2HD1 ILE 8 2HD1 ILE 8 -7.202 -7.995 7.989 51 3HD1 ILE 8 3HD1 ILE 8 -7.318 -8.224 9.736 52 H PHE 9 H PHE 9 -1.489 -5.861 8.888 53 HA PHE 9 HA PHE 9 -0.544 -6.344 6.178 54 1HB PHE 9 2HB PHE 9 -0.250 -3.931 6.457 55 2HB PHE 9 1HB PHE 9 0.638 -4.198 7.950 56 HD1 PHE 9 HD1 PHE 9 2.882 -3.839 7.747 57 HD2 PHE 9 HD2 PHE 9 0.777 -5.563 4.479 58 HE1 PHE 9 HE1 PHE 9 4.985 -3.977 6.474 59 HE2 PHE 9 HE2 PHE 9 2.874 -5.705 3.197 60 HZ PHE 9 HZ PHE 9 4.982 -4.911 4.195 61 H GLU 10 H GLU 10 0.236 -8.318 6.456 62 HA GLU 10 HA GLU 10 1.719 -9.940 7.051 63 1HB GLU 10 2HB GLU 10 2.802 -8.040 9.127 64 2HB GLU 10 1HB GLU 10 3.573 -9.492 8.512 65 1HG GLU 10 2HG GLU 10 3.701 -8.434 6.284 66 2HG GLU 10 1HG GLU 10 3.031 -6.960 6.981 67 H LYS 11 H LYS 11 -0.799 -10.124 7.949 68 HA LYS 11 HA LYS 11 -2.116 -11.199 9.416 69 1HB LYS 11 2HB LYS 11 0.610 -12.108 10.140 70 2HB LYS 11 1HB LYS 11 -0.729 -12.563 11.187 71 1HG LYS 11 2HG LYS 11 -0.961 -12.987 8.251 72 2HG LYS 11 1HG LYS 11 0.019 -14.102 9.209 73 1HD LYS 11 2HD LYS 11 -1.957 -14.423 10.708 74 2HD LYS 11 1HD LYS 11 -2.906 -13.464 9.571 75 1HE LYS 11 2HE LYS 11 -3.369 -15.461 8.647 76 2HE LYS 11 1HE LYS 11 -1.787 -15.264 7.894 77 1HZ LYS 11 1HZ LYS 11 -1.680 -17.364 8.816 78 2HZ LYS 11 2HZ LYS 11 -2.536 -16.928 10.208 79 3HZ LYS 11 3HZ LYS 11 -0.935 -16.420 10.007 80 H VAL 12 H VAL 12 -0.752 -8.454 10.152 81 HA VAL 12 HA VAL 12 -1.763 -8.475 12.890 82 HB VAL 12 HB VAL 12 0.547 -6.833 11.849 83 1HG1 VAL 12 1HG1 VAL 12 0.746 -5.926 14.071 84 2HG1 VAL 12 2HG1 VAL 12 -0.590 -6.928 14.639 85 3HG1 VAL 12 3HG1 VAL 12 -0.889 -5.634 13.477 86 1HG2 VAL 12 1HG2 VAL 12 1.615 -8.782 12.274 87 2HG2 VAL 12 2HG2 VAL 12 0.363 -9.352 13.378 88 3HG2 VAL 12 3HG2 VAL 12 1.559 -8.179 13.931 89 H SER 13 H SER 13 -3.194 -6.848 13.393 90 HA SER 13 HA SER 13 -4.026 -5.208 11.111 91 1HB SER 13 2HB SER 13 -5.723 -6.680 12.166 92 2HB SER 13 1HB SER 13 -5.525 -5.793 13.677 93 HG SER 13 HG SER 13 -6.412 -4.727 11.199 94 H GLY 14 H GLY 14 -4.320 -3.047 11.214 95 1HA GLY 14 2HA GLY 14 -3.924 -1.527 13.613 96 2HA GLY 14 1HA GLY 14 -2.540 -1.456 12.527 97 H ILE 15 H ILE 15 -3.507 0.911 12.871 98 HA ILE 15 HA ILE 15 -5.626 1.430 10.945 99 HB ILE 15 HB ILE 15 -4.207 3.254 12.880 100 1HG1 ILE 15 2HG1 ILE 15 -6.377 1.436 13.119 101 2HG1 ILE 15 1HG1 ILE 15 -5.762 2.556 14.331 102 1HG2 ILE 15 1HG2 ILE 15 -5.931 4.934 12.227 103 2HG2 ILE 15 2HG2 ILE 15 -6.383 3.880 10.887 104 3HG2 ILE 15 3HG2 ILE 15 -4.762 4.572 10.956 105 1HD1 ILE 15 1HD1 ILE 15 -8.101 2.915 14.091 106 2HD1 ILE 15 2HD1 ILE 15 -7.958 3.045 12.337 107 3HD1 ILE 15 3HD1 ILE 15 -7.270 4.295 13.374 108 H ILE 16 H ILE 16 -5.299 2.080 8.960 109 HA ILE 16 HA ILE 16 -2.579 2.770 8.121 110 HB ILE 16 HB ILE 16 -4.799 1.280 6.935 111 1HG1 ILE 16 2HG1 ILE 16 -1.828 1.485 6.438 112 2HG1 ILE 16 1HG1 ILE 16 -2.695 0.233 7.315 113 1HG2 ILE 16 1HG2 ILE 16 -5.153 3.179 5.526 114 2HG2 ILE 16 2HG2 ILE 16 -4.279 1.975 4.581 115 3HG2 ILE 16 3HG2 ILE 16 -3.423 3.366 5.243 116 1HD1 ILE 16 1HD1 ILE 16 -3.749 0.332 4.691 117 2HD1 ILE 16 2HD1 ILE 16 -2.838 -0.962 5.470 118 3HD1 ILE 16 3HD1 ILE 16 -1.989 0.303 4.581 119 H ALA 17 H ALA 17 -2.117 4.832 7.761 120 HA ALA 17 HA ALA 17 -4.310 6.676 7.068 121 1HB ALA 17 1HB ALA 17 -1.766 7.238 8.588 122 2HB ALA 17 2HB ALA 17 -3.403 7.197 9.244 123 3HB ALA 17 3HB ALA 17 -2.941 8.458 8.099 124 H ILE 18 H ILE 18 -4.015 8.129 5.397 125 HA ILE 18 HA ILE 18 -1.738 7.541 3.647 126 HB ILE 18 HB ILE 18 -4.560 8.229 3.184 127 1HG1 ILE 18 2HG1 ILE 18 -2.520 6.953 1.359 128 2HG1 ILE 18 1HG1 ILE 18 -3.388 6.072 2.613 129 1HG2 ILE 18 1HG2 ILE 18 -2.397 9.548 1.568 130 2HG2 ILE 18 2HG2 ILE 18 -3.785 10.294 2.360 131 3HG2 ILE 18 3HG2 ILE 18 -4.023 9.270 0.944 132 1HD1 ILE 18 1HD1 ILE 18 -4.781 5.614 0.912 133 2HD1 ILE 18 2HD1 ILE 18 -4.307 7.045 -0.006 134 3HD1 ILE 18 3HD1 ILE 18 -5.457 7.189 1.325 135 H ASN 19 H ASN 19 -0.106 8.923 3.727 136 HA ASN 19 HA ASN 19 -0.640 11.717 4.466 137 1HB ASN 19 2HB ASN 19 1.840 10.011 4.665 138 2HB ASN 19 1HB ASN 19 1.884 11.762 4.852 139 1HD2 ASN 19 1HD2 ASN 19 -0.247 12.368 6.303 140 2HD2 ASN 19 2HD2 ASN 19 -0.211 11.583 7.842 141 H GLU 20 H GLU 20 -0.885 12.974 2.751 142 HA GLU 20 HA GLU 20 0.837 12.520 0.409 143 1HB GLU 20 2HB GLU 20 -1.794 14.002 0.576 144 2HB GLU 20 1HB GLU 20 -0.847 13.752 -0.885 145 1HG GLU 20 2HG GLU 20 -1.158 11.325 -0.647 146 2HG GLU 20 1HG GLU 20 -2.157 11.612 0.776 147 H ASP 21 H ASP 21 0.530 14.467 3.076 148 HA ASP 21 HA ASP 21 1.000 17.040 2.070 149 1HB ASP 21 2HB ASP 21 1.739 15.789 4.717 150 2HB ASP 21 1HB ASP 21 1.915 17.505 4.362 151 H VAL 22 H VAL 22 3.054 14.303 2.272 152 HA VAL 22 HA VAL 22 5.446 15.931 2.057 153 HB VAL 22 HB VAL 22 5.171 13.756 3.492 154 1HG1 VAL 22 1HG1 VAL 22 4.658 12.556 1.178 155 2HG1 VAL 22 2HG1 VAL 22 5.428 11.729 2.531 156 3HG1 VAL 22 3HG1 VAL 22 6.410 12.361 1.208 157 1HG2 VAL 22 1HG2 VAL 22 7.758 13.517 2.252 158 2HG2 VAL 22 2HG2 VAL 22 7.331 14.077 3.869 159 3HG2 VAL 22 3HG2 VAL 22 7.327 15.207 2.515 160 H SER 23 H SER 23 6.993 14.149 0.523 161 HA SER 23 HA SER 23 5.740 13.603 -1.974 162 1HB SER 23 2HB SER 23 7.485 15.352 -3.064 163 2HB SER 23 1HB SER 23 5.804 15.752 -2.712 164 HG SER 23 HG SER 23 6.413 16.895 -0.989 165 HA PRO 24 HA PRO 24 5.853 12.144 -3.277 166 1HB PRO 24 2HB PRO 24 6.044 9.451 -3.272 167 2HB PRO 24 1HB PRO 24 6.869 10.456 -4.469 168 1HG PRO 24 2HG PRO 24 7.957 9.198 -1.978 169 2HG PRO 24 1HG PRO 24 8.679 9.281 -3.596 170 1HD PRO 24 2HD PRO 24 9.387 10.954 -1.577 171 2HD PRO 24 1HD PRO 24 9.435 11.432 -3.285 172 H ALA 25 H ALA 25 3.875 11.393 -2.502 173 HA ALA 25 HA ALA 25 3.380 11.532 0.230 174 1HB ALA 25 1HB ALA 25 1.662 11.808 -1.513 175 2HB ALA 25 2HB ALA 25 1.169 10.661 -0.267 176 3HB ALA 25 3HB ALA 25 1.725 10.075 -1.834 177 H GLU 26 H GLU 26 2.421 9.744 1.597 178 HA GLU 26 HA GLU 26 3.372 7.067 1.018 179 1HB GLU 26 2HB GLU 26 4.408 8.615 3.398 180 2HB GLU 26 1HB GLU 26 4.646 6.893 3.134 181 1HG GLU 26 2HG GLU 26 5.863 7.410 1.056 182 2HG GLU 26 1HG GLU 26 5.679 9.128 1.403 183 H LEU 27 H LEU 27 2.419 5.461 2.281 184 HA LEU 27 HA LEU 27 0.100 6.369 3.850 185 1HB LEU 27 2HB LEU 27 -0.381 5.017 1.831 186 2HB LEU 27 1HB LEU 27 0.565 3.705 2.506 187 HG LEU 27 HG LEU 27 -1.784 4.788 4.017 188 1HD1 LEU 27 1HD1 LEU 27 -3.137 2.993 2.928 189 2HD1 LEU 27 2HD1 LEU 27 -1.844 2.818 1.740 190 3HD1 LEU 27 3HD1 LEU 27 -2.723 4.341 1.870 191 1HD2 LEU 27 1HD2 LEU 27 -0.176 2.263 3.964 192 2HD2 LEU 27 2HD2 LEU 27 -1.815 2.274 4.613 193 3HD2 LEU 27 3HD2 LEU 27 -0.578 3.304 5.330 194 H THR 28 H THR 28 0.378 6.247 5.983 195 HA THR 28 HA THR 28 2.395 4.558 7.128 196 HB THR 28 HB THR 28 0.619 6.048 8.904 197 HG1 THR 28 HG1 THR 28 2.080 7.451 6.928 198 1HG2 THR 28 1HG2 THR 28 2.840 5.238 9.558 199 2HG2 THR 28 2HG2 THR 28 2.666 6.984 9.735 200 3HG2 THR 28 3HG2 THR 28 3.548 6.318 8.361 201 H TRP 29 H TRP 29 2.040 2.962 8.657 202 HA TRP 29 HA TRP 29 -0.710 2.050 9.064 203 1HB TRP 29 2HB TRP 29 0.290 0.619 7.344 204 2HB TRP 29 1HB TRP 29 1.663 0.293 8.400 205 HD1 TRP 29 HD1 TRP 29 -2.154 0.089 9.000 206 HE1 TRP 29 HE1 TRP 29 -2.687 -2.219 10.027 207 HE3 TRP 29 HE3 TRP 29 2.564 -1.876 9.075 208 HZ2 TRP 29 HZ2 TRP 29 -1.289 -4.532 10.766 209 HZ3 TRP 29 HZ3 TRP 29 2.877 -4.151 9.965 210 HH2 TRP 29 HH2 TRP 29 0.978 -5.458 10.790 211 H ARG 30 H ARG 30 -1.043 2.308 11.179 212 HA ARG 30 HA ARG 30 1.167 1.684 13.022 213 1HB ARG 30 2HB ARG 30 -1.338 3.340 13.372 214 2HB ARG 30 1HB ARG 30 -0.307 2.879 14.719 215 1HG ARG 30 2HG ARG 30 1.573 4.048 13.672 216 2HG ARG 30 1HG ARG 30 0.520 4.530 12.341 217 1HD ARG 30 2HD ARG 30 -0.950 5.652 14.029 218 2HD ARG 30 1HD ARG 30 0.284 5.313 15.242 219 HE ARG 30 HE ARG 30 1.283 6.710 12.939 220 1HH1 ARG 30 1HH1 ARG 30 -0.239 7.062 16.059 221 2HH1 ARG 30 2HH1 ARG 30 0.317 8.685 16.287 222 1HH2 ARG 30 1HH2 ARG 30 2.017 8.846 13.236 223 2HH2 ARG 30 2HH2 ARG 30 1.597 9.700 14.684 224 H SER 31 H SER 31 1.049 -0.104 14.276 225 HA SER 31 HA SER 31 -0.930 -2.031 13.883 226 1HB SER 31 2HB SER 31 0.087 -2.942 16.137 227 2HB SER 31 1HB SER 31 1.048 -2.946 14.658 228 HG SER 31 HG SER 31 1.099 -0.789 16.487 229 H THR 32 H THR 32 -2.362 -2.955 15.537 230 HA THR 32 HA THR 32 -4.190 -1.093 16.510 231 HB THR 32 HB THR 32 -3.705 -4.002 16.709 232 HG1 THR 32 HG1 THR 32 -5.971 -2.407 16.105 233 1HG2 THR 32 1HG2 THR 32 -4.210 -3.653 18.988 234 2HG2 THR 32 2HG2 THR 32 -5.641 -4.317 18.201 235 3HG2 THR 32 3HG2 THR 32 -5.563 -2.597 18.589 236 H ASP 33 H ASP 33 -1.435 -2.651 17.906 237 HA ASP 33 HA ASP 33 -1.975 -1.903 20.604 238 1HB ASP 33 2HB ASP 33 0.556 -2.874 19.278 239 2HB ASP 33 1HB ASP 33 0.384 -2.626 21.013 240 H GLY 34 H GLY 34 -0.241 -0.508 17.942 241 1HA GLY 34 2HA GLY 34 0.349 1.723 17.653 242 2HA GLY 34 1HA GLY 34 -0.090 2.029 19.328 243 H ASP 35 H ASP 35 2.031 -0.586 18.519 244 HA ASP 35 HA ASP 35 4.242 0.885 19.765 245 1HB ASP 35 2HB ASP 35 3.718 -2.084 19.578 246 2HB ASP 35 1HB ASP 35 5.196 -1.385 20.232 247 H LYS 36 H LYS 36 3.193 -0.636 16.878 248 HA LYS 36 HA LYS 36 5.857 -0.203 15.702 249 1HB LYS 36 2HB LYS 36 4.188 -2.613 15.702 250 2HB LYS 36 1HB LYS 36 4.727 -2.135 14.098 251 1HG LYS 36 2HG LYS 36 7.051 -2.114 14.916 252 2HG LYS 36 1HG LYS 36 6.477 -2.678 16.487 253 1HD LYS 36 2HD LYS 36 5.552 -4.688 15.394 254 2HD LYS 36 1HD LYS 36 6.209 -4.129 13.854 255 1HE LYS 36 2HE LYS 36 8.451 -4.029 15.216 256 2HE LYS 36 1HE LYS 36 7.623 -5.185 16.257 257 1HZ LYS 36 1HZ LYS 36 7.616 -6.776 14.647 258 2HZ LYS 36 2HZ LYS 36 9.040 -5.970 14.218 259 3HZ LYS 36 3HZ LYS 36 7.611 -5.667 13.368 260 H VAL 37 H VAL 37 5.898 1.061 13.956 261 HA VAL 37 HA VAL 37 3.358 1.587 12.558 262 HB VAL 37 HB VAL 37 5.494 3.660 13.060 263 1HG1 VAL 37 1HG1 VAL 37 3.695 5.219 12.351 264 2HG1 VAL 37 2HG1 VAL 37 2.702 3.822 11.937 265 3HG1 VAL 37 3HG1 VAL 37 4.215 4.114 11.079 266 1HG2 VAL 37 1HG2 VAL 37 3.427 4.559 14.498 267 2HG2 VAL 37 2HG2 VAL 37 4.698 3.542 15.180 268 3HG2 VAL 37 3HG2 VAL 37 3.166 2.824 14.683 269 H HIS 38 H HIS 38 3.440 1.125 10.474 270 HA HIS 38 HA HIS 38 6.077 1.022 9.162 271 1HB HIS 38 2HB HIS 38 4.891 -1.121 9.195 272 2HB HIS 38 1HB HIS 38 3.527 -0.377 8.377 273 HD1 HIS 38 HD1 HIS 38 6.376 -2.369 7.670 274 HD2 HIS 38 HD2 HIS 38 4.469 0.777 5.738 275 HE1 HIS 38 HE1 HIS 38 7.121 -2.500 5.271 276 HE2 HIS 38 HE2 HIS 38 5.892 -0.635 4.106 277 H THR 39 H THR 39 6.420 2.016 7.255 278 HA THR 39 HA THR 39 4.316 3.872 6.355 279 HB THR 39 HB THR 39 7.281 4.277 5.984 280 HG1 THR 39 HG1 THR 39 6.823 4.253 8.202 281 1HG2 THR 39 1HG2 THR 39 6.688 6.622 5.723 282 2HG2 THR 39 2HG2 THR 39 4.982 6.215 5.901 283 3HG2 THR 39 3HG2 THR 39 5.891 5.618 4.512 284 H VAL 40 H VAL 40 3.762 3.917 4.246 285 HA VAL 40 HA VAL 40 5.187 2.067 2.445 286 HB VAL 40 HB VAL 40 2.277 2.852 2.280 287 1HG1 VAL 40 1HG1 VAL 40 3.533 2.123 0.190 288 2HG1 VAL 40 2HG1 VAL 40 2.056 1.244 0.587 289 3HG1 VAL 40 3HG1 VAL 40 3.630 0.530 0.943 290 1HG2 VAL 40 1HG2 VAL 40 1.676 0.838 3.315 291 2HG2 VAL 40 2HG2 VAL 40 2.975 1.483 4.320 292 3HG2 VAL 40 3HG2 VAL 40 3.307 0.179 3.178 293 H VAL 41 H VAL 41 5.684 2.732 0.390 294 HA VAL 41 HA VAL 41 5.501 5.609 -0.090 295 HB VAL 41 HB VAL 41 7.034 3.558 -1.692 296 1HG1 VAL 41 1HG1 VAL 41 6.817 5.456 -3.022 297 2HG1 VAL 41 2HG1 VAL 41 8.374 5.688 -2.229 298 3HG1 VAL 41 3HG1 VAL 41 6.951 6.553 -1.648 299 1HG2 VAL 41 1HG2 VAL 41 8.531 5.355 0.080 300 2HG2 VAL 41 2HG2 VAL 41 8.761 3.639 -0.256 301 3HG2 VAL 41 3HG2 VAL 41 7.546 4.153 0.915 302 H LEU 42 H LEU 42 4.036 6.430 -1.419 303 HA LEU 42 HA LEU 42 2.394 4.659 -3.020 304 1HB LEU 42 2HB LEU 42 2.137 7.648 -2.878 305 2HB LEU 42 1HB LEU 42 0.896 6.463 -3.241 306 HG LEU 42 HG LEU 42 2.158 6.989 -0.551 307 1HD1 LEU 42 1HD1 LEU 42 -0.703 7.101 -0.646 308 2HD1 LEU 42 2HD1 LEU 42 -0.018 8.176 -1.864 309 3HD1 LEU 42 3HD1 LEU 42 0.450 8.348 -0.173 310 1HD2 LEU 42 1HD2 LEU 42 1.749 4.816 -0.174 311 2HD2 LEU 42 2HD2 LEU 42 0.710 4.662 -1.589 312 3HD2 LEU 42 3HD2 LEU 42 0.061 5.318 -0.087 313 H SER 43 H SER 43 5.188 6.490 -3.524 314 HA SER 43 HA SER 43 4.659 7.204 -6.262 315 1HB SER 43 2HB SER 43 6.155 8.685 -5.248 316 2HB SER 43 1HB SER 43 7.048 7.391 -4.450 317 HG SER 43 HG SER 43 7.999 6.866 -6.378 318 H THR 44 H THR 44 5.984 4.505 -4.546 319 HA THR 44 HA THR 44 7.090 3.363 -6.992 320 HB THR 44 HB THR 44 8.440 3.261 -4.928 321 HG1 THR 44 HG1 THR 44 9.171 1.373 -5.500 322 1HG2 THR 44 1HG2 THR 44 7.833 2.273 -2.993 323 2HG2 THR 44 2HG2 THR 44 6.753 1.126 -3.786 324 3HG2 THR 44 3HG2 THR 44 6.235 2.792 -3.527 325 H ILE 45 H ILE 45 4.147 3.681 -6.319 326 HA ILE 45 HA ILE 45 3.341 0.857 -6.374 327 HB ILE 45 HB ILE 45 1.559 3.258 -5.978 328 1HG1 ILE 45 2HG1 ILE 45 3.145 3.188 -4.147 329 2HG1 ILE 45 1HG1 ILE 45 1.581 2.623 -3.571 330 1HG2 ILE 45 1HG2 ILE 45 1.139 0.304 -5.555 331 2HG2 ILE 45 2HG2 ILE 45 0.361 1.328 -6.762 332 3HG2 ILE 45 3HG2 ILE 45 0.007 1.559 -5.049 333 1HD1 ILE 45 1HD1 ILE 45 2.472 0.274 -4.005 334 2HD1 ILE 45 2HD1 ILE 45 3.128 1.160 -2.629 335 3HD1 ILE 45 3HD1 ILE 45 4.057 1.036 -4.123 336 H ASP 46 H ASP 46 3.600 0.293 -8.492 337 HA ASP 46 HA ASP 46 2.939 1.883 -10.709 338 1HB ASP 46 2HB ASP 46 4.383 -0.166 -10.758 339 2HB ASP 46 1HB ASP 46 2.926 -1.141 -10.586 340 H LYS 47 H LYS 47 1.029 -0.213 -8.671 341 HA LYS 47 HA LYS 47 -1.410 0.914 -9.576 342 1HB LYS 47 2HB LYS 47 -0.525 -1.652 -10.778 343 2HB LYS 47 1HB LYS 47 -2.208 -1.551 -10.277 344 1HG LYS 47 2HG LYS 47 -2.098 0.722 -11.619 345 2HG LYS 47 1HG LYS 47 -0.778 -0.112 -12.441 346 1HD LYS 47 2HD LYS 47 -3.536 -1.272 -12.076 347 2HD LYS 47 1HD LYS 47 -3.019 -0.396 -13.517 348 1HE LYS 47 2HE LYS 47 -1.369 -2.679 -12.549 349 2HE LYS 47 1HE LYS 47 -2.876 -3.020 -13.395 350 1HZ LYS 47 1HZ LYS 47 -2.084 -2.176 -15.342 351 2HZ LYS 47 2HZ LYS 47 -0.634 -2.749 -14.686 352 3HZ LYS 47 3HZ LYS 47 -1.012 -1.104 -14.592 353 H LEU 48 H LEU 48 -3.257 0.109 -8.416 354 HA LEU 48 HA LEU 48 -2.528 -1.451 -6.025 355 1HB LEU 48 2HB LEU 48 -4.231 -0.161 -4.801 356 2HB LEU 48 1HB LEU 48 -2.927 0.843 -5.404 357 HG LEU 48 HG LEU 48 -5.207 0.686 -7.234 358 1HD1 LEU 48 1HD1 LEU 48 -5.653 1.269 -4.402 359 2HD1 LEU 48 2HD1 LEU 48 -6.804 0.870 -5.676 360 3HD1 LEU 48 3HD1 LEU 48 -6.224 2.525 -5.500 361 1HD2 LEU 48 1HD2 LEU 48 -4.197 3.205 -6.038 362 2HD2 LEU 48 2HD2 LEU 48 -4.623 2.833 -7.708 363 3HD2 LEU 48 3HD2 LEU 48 -3.090 2.270 -7.041 364 H GLN 49 H GLN 49 -3.604 -3.292 -5.757 365 HA GLN 49 HA GLN 49 -6.073 -3.698 -7.306 366 1HB GLN 49 2HB GLN 49 -4.123 -5.738 -6.220 367 2HB GLN 49 1HB GLN 49 -5.587 -6.113 -7.118 368 1HG GLN 49 2HG GLN 49 -4.669 -4.845 -9.040 369 2HG GLN 49 1HG GLN 49 -3.170 -4.640 -8.136 370 1HE2 GLN 49 1HE2 GLN 49 -1.672 -6.167 -8.285 371 2HE2 GLN 49 2HE2 GLN 49 -1.896 -7.726 -8.996 372 H ALA 50 H ALA 50 -7.883 -4.606 -6.342 373 HA ALA 50 HA ALA 50 -7.803 -4.963 -3.427 374 1HB ALA 50 1HB ALA 50 -9.524 -3.092 -4.984 375 2HB ALA 50 2HB ALA 50 -8.713 -2.855 -3.436 376 3HB ALA 50 3HB ALA 50 -10.169 -3.845 -3.525 377 H THR 51 H THR 51 -9.582 -6.230 -2.575 378 HA THR 51 HA THR 51 -10.176 -8.473 -4.219 379 HB THR 51 HB THR 51 -11.782 -8.923 -2.153 380 HG1 THR 51 HG1 THR 51 -11.680 -7.389 -0.747 381 1HG2 THR 51 1HG2 THR 51 -9.835 -9.724 -0.823 382 2HG2 THR 51 2HG2 THR 51 -8.780 -8.990 -2.032 383 3HG2 THR 51 3HG2 THR 51 -9.873 -10.295 -2.491 384 HA PRO 52 HA PRO 52 -13.956 -7.075 -6.046 385 1HB PRO 52 2HB PRO 52 -15.041 -9.445 -6.750 386 2HB PRO 52 1HB PRO 52 -13.630 -8.770 -7.574 387 1HG PRO 52 2HG PRO 52 -13.755 -10.872 -5.445 388 2HG PRO 52 1HG PRO 52 -12.776 -10.834 -6.923 389 1HD PRO 52 2HD PRO 52 -11.791 -10.179 -4.473 390 2HD PRO 52 1HD PRO 52 -11.184 -9.468 -5.981 391 H ALA 53 H ALA 53 -16.235 -7.044 -5.739 392 HA ALA 53 HA ALA 53 -17.065 -7.233 -3.053 393 1HB ALA 53 1HB ALA 53 -18.327 -5.674 -4.099 394 2HB ALA 53 2HB ALA 53 -19.413 -7.046 -4.324 395 3HB ALA 53 3HB ALA 53 -18.338 -6.549 -5.631 396 H SER 54 H SER 54 -16.935 -9.575 -5.552 397 HA SER 54 HA SER 54 -18.969 -11.277 -4.360 398 1HB SER 54 2HB SER 54 -17.175 -11.628 -6.766 399 2HB SER 54 1HB SER 54 -18.334 -12.840 -6.224 400 HG SER 54 HG SER 54 -18.851 -10.950 -7.861 401 H SER 55 H SER 55 -15.870 -10.591 -3.585 402 HA SER 55 HA SER 55 -15.200 -13.349 -2.832 403 1HB SER 55 2HB SER 55 -13.549 -10.902 -3.361 404 2HB SER 55 1HB SER 55 -12.915 -12.172 -2.315 405 HG SER 55 HG SER 55 -12.547 -13.334 -4.018 406 H GLU 56 H GLU 56 -15.822 -13.860 -0.855 407 HA GLU 56 HA GLU 56 -16.587 -12.083 1.146 408 1HB GLU 56 2HB GLU 56 -17.185 -14.491 1.077 409 2HB GLU 56 1HB GLU 56 -15.528 -14.890 1.508 410 1HG GLU 56 2HG GLU 56 -16.789 -15.036 3.490 411 2HG GLU 56 1HG GLU 56 -15.860 -13.541 3.602 412 H LYS 57 H LYS 57 -13.462 -13.006 0.112 413 HA LYS 57 HA LYS 57 -12.161 -12.308 2.610 414 1HB LYS 57 2HB LYS 57 -10.088 -12.859 1.474 415 2HB LYS 57 1HB LYS 57 -11.273 -14.130 1.202 416 1HG LYS 57 2HG LYS 57 -11.759 -13.144 -1.015 417 2HG LYS 57 1HG LYS 57 -10.471 -11.971 -0.737 418 1HD LYS 57 2HD LYS 57 -8.930 -13.953 -0.387 419 2HD LYS 57 1HD LYS 57 -10.235 -14.960 -1.017 420 1HE LYS 57 2HE LYS 57 -10.238 -13.425 -3.041 421 2HE LYS 57 1HE LYS 57 -8.718 -12.778 -2.425 422 1HZ LYS 57 1HZ LYS 57 -7.622 -14.747 -2.810 423 2HZ LYS 57 2HZ LYS 57 -8.695 -14.715 -4.118 424 3HZ LYS 57 3HZ LYS 57 -9.032 -15.682 -2.772 425 H MET 58 H MET 58 -11.582 -10.317 3.149 426 HA MET 58 HA MET 58 -11.571 -8.242 1.076 427 1HB MET 58 2HB MET 58 -11.807 -8.092 4.082 428 2HB MET 58 1HB MET 58 -11.631 -6.675 3.056 429 1HG MET 58 2HG MET 58 -13.840 -6.634 2.923 430 2HG MET 58 1HG MET 58 -13.721 -8.066 1.903 431 1HE MET 58 1HE MET 58 -14.168 -6.457 5.091 432 2HE MET 58 2HE MET 58 -14.211 -7.725 6.315 433 3HE MET 58 3HE MET 58 -15.702 -7.204 5.532 434 H MET 59 H MET 59 -9.600 -8.030 0.206 435 HA MET 59 HA MET 59 -7.398 -7.301 1.951 436 1HB MET 59 2HB MET 59 -7.149 -9.589 -0.009 437 2HB MET 59 1HB MET 59 -5.841 -8.906 0.948 438 1HG MET 59 2HG MET 59 -7.045 -9.593 2.998 439 2HG MET 59 1HG MET 59 -8.257 -10.372 1.983 440 1HE MET 59 1HE MET 59 -4.178 -11.418 3.228 441 2HE MET 59 2HE MET 59 -4.679 -9.850 2.592 442 3HE MET 59 3HE MET 59 -3.932 -11.038 1.524 443 H LEU 60 H LEU 60 -6.063 -5.822 1.036 444 HA LEU 60 HA LEU 60 -6.510 -5.214 -1.815 445 1HB LEU 60 2HB LEU 60 -7.255 -3.517 -0.057 446 2HB LEU 60 1HB LEU 60 -5.551 -3.252 0.254 447 HG LEU 60 HG LEU 60 -6.634 -2.969 -2.525 448 1HD1 LEU 60 1HD1 LEU 60 -6.409 -0.533 -0.879 449 2HD1 LEU 60 2HD1 LEU 60 -7.800 -1.567 -0.557 450 3HD1 LEU 60 3HD1 LEU 60 -7.534 -0.929 -2.179 451 1HD2 LEU 60 1HD2 LEU 60 -4.378 -2.777 -2.694 452 2HD2 LEU 60 2HD2 LEU 60 -4.188 -2.222 -1.030 453 3HD2 LEU 60 3HD2 LEU 60 -4.752 -1.106 -2.273 454 H ARG 61 H ARG 61 -4.830 -5.539 -3.103 455 HA ARG 61 HA ARG 61 -2.157 -5.765 -1.908 456 1HB ARG 61 2HB ARG 61 -3.056 -7.713 -3.182 457 2HB ARG 61 1HB ARG 61 -3.092 -6.706 -4.623 458 1HG ARG 61 2HG ARG 61 -0.671 -6.426 -4.494 459 2HG ARG 61 1HG ARG 61 -0.633 -7.429 -3.042 460 1HD ARG 61 2HD ARG 61 -1.612 -8.330 -5.750 461 2HD ARG 61 1HD ARG 61 -0.013 -8.666 -5.089 462 HE ARG 61 HE ARG 61 -0.944 -10.224 -3.654 463 1HH1 ARG 61 1HH1 ARG 61 -3.467 -8.507 -5.356 464 2HH1 ARG 61 2HH1 ARG 61 -4.709 -9.614 -4.881 465 1HH2 ARG 61 1HH2 ARG 61 -2.580 -11.676 -3.033 466 2HH2 ARG 61 2HH2 ARG 61 -4.206 -11.412 -3.564 467 H LEU 62 H LEU 62 -0.399 -4.663 -2.741 468 HA LEU 62 HA LEU 62 -0.977 -2.612 -4.768 469 1HB LEU 62 2HB LEU 62 -0.428 -2.170 -2.024 470 2HB LEU 62 1HB LEU 62 0.990 -1.654 -2.919 471 HG LEU 62 HG LEU 62 -0.565 -0.265 -4.357 472 1HD1 LEU 62 1HD1 LEU 62 -2.657 -1.342 -3.874 473 2HD1 LEU 62 2HD1 LEU 62 -2.730 0.326 -3.304 474 3HD1 LEU 62 3HD1 LEU 62 -2.489 -0.990 -2.154 475 1HD2 LEU 62 1HD2 LEU 62 -0.048 0.237 -1.453 476 2HD2 LEU 62 2HD2 LEU 62 -0.928 1.418 -2.423 477 3HD2 LEU 62 3HD2 LEU 62 0.717 0.962 -2.867 478 H ILE 63 H ILE 63 0.378 -2.708 -6.429 479 HA ILE 63 HA ILE 63 2.658 -4.448 -6.370 480 HB ILE 63 HB ILE 63 1.910 -2.495 -8.547 481 1HG1 ILE 63 2HG1 ILE 63 -0.015 -3.901 -8.069 482 2HG1 ILE 63 1HG1 ILE 63 0.716 -4.403 -9.590 483 1HG2 ILE 63 1HG2 ILE 63 3.454 -3.490 -9.852 484 2HG2 ILE 63 2HG2 ILE 63 3.157 -5.089 -9.170 485 3HG2 ILE 63 3HG2 ILE 63 4.179 -3.939 -8.308 486 1HD1 ILE 63 1HD1 ILE 63 0.302 -6.416 -8.580 487 2HD1 ILE 63 2HD1 ILE 63 0.652 -5.802 -6.964 488 3HD1 ILE 63 3HD1 ILE 63 1.971 -6.122 -8.090 489 H GLY 64 H GLY 64 4.806 -3.938 -6.317 490 1HA GLY 64 2HA GLY 64 5.436 -1.169 -5.566 491 2HA GLY 64 1HA GLY 64 6.427 -2.577 -5.215 492 H LYS 65 H LYS 65 4.997 -1.699 -8.322 493 HA LYS 65 HA LYS 65 5.915 -1.373 -10.371 494 1HB LYS 65 2HB LYS 65 7.471 0.277 -8.493 495 2HB LYS 65 1HB LYS 65 8.238 -0.002 -10.053 496 1HG LYS 65 2HG LYS 65 6.308 0.903 -11.196 497 2HG LYS 65 1HG LYS 65 5.466 1.105 -9.658 498 1HD LYS 65 2HD LYS 65 7.236 2.667 -8.931 499 2HD LYS 65 1HD LYS 65 8.002 2.501 -10.513 500 1HE LYS 65 2HE LYS 65 6.203 3.554 -11.609 501 2HE LYS 65 1HE LYS 65 5.149 3.389 -10.206 502 1HZ LYS 65 1HZ LYS 65 7.590 4.928 -9.824 503 2HZ LYS 65 2HZ LYS 65 6.036 5.193 -9.213 504 3HZ LYS 65 3HZ LYS 65 6.405 5.634 -10.803 505 H VAL 66 H VAL 66 7.930 -1.687 -11.746 506 HA VAL 66 HA VAL 66 9.187 -4.194 -10.914 507 HB VAL 66 HB VAL 66 8.020 -4.174 -13.074 508 1HG1 VAL 66 1HG1 VAL 66 9.611 -1.761 -13.461 509 2HG1 VAL 66 2HG1 VAL 66 8.110 -2.267 -14.234 510 3HG1 VAL 66 3HG1 VAL 66 9.656 -2.862 -14.838 511 1HG2 VAL 66 1HG2 VAL 66 10.803 -4.901 -12.679 512 2HG2 VAL 66 2HG2 VAL 66 10.416 -4.633 -14.378 513 3HG2 VAL 66 3HG2 VAL 66 9.495 -5.807 -13.438 514 H ASP 67 H ASP 67 10.259 -2.144 -9.549 515 HA ASP 67 HA ASP 67 12.216 -1.134 -8.996 516 1HB ASP 67 2HB ASP 67 13.303 -3.096 -11.023 517 2HB ASP 67 1HB ASP 67 14.306 -2.121 -9.953 518 H GLU 68 H GLU 68 10.626 0.143 -10.945 519 HA GLU 68 HA GLU 68 10.635 1.771 -12.524 520 1HB GLU 68 2HB GLU 68 12.588 2.301 -10.559 521 2HB GLU 68 1HB GLU 68 13.284 2.790 -12.099 522 1HG GLU 68 2HG GLU 68 11.295 4.167 -12.532 523 2HG GLU 68 1HG GLU 68 10.654 3.703 -10.957 524 H SER 69 H SER 69 11.238 -0.650 -13.573 525 HA SER 69 HA SER 69 13.591 -0.952 -14.955 526 1HB SER 69 2HB SER 69 11.773 -2.660 -14.758 527 2HB SER 69 1HB SER 69 10.873 -1.772 -15.987 528 HG SER 69 HG SER 69 12.846 -2.065 -17.308 529 H LYS 70 H LYS 70 10.991 1.214 -15.578 530 HA LYS 70 HA LYS 70 11.300 1.704 -18.304 531 1HB LYS 70 2HB LYS 70 10.496 3.609 -16.101 532 2HB LYS 70 1HB LYS 70 10.304 3.931 -17.819 533 1HG LYS 70 2HG LYS 70 8.870 1.879 -17.947 534 2HG LYS 70 1HG LYS 70 8.932 1.813 -16.184 535 1HD LYS 70 2HD LYS 70 7.931 4.164 -17.789 536 2HD LYS 70 1HD LYS 70 6.901 2.938 -17.043 537 1HE LYS 70 2HE LYS 70 7.602 3.575 -14.855 538 2HE LYS 70 1HE LYS 70 8.868 4.618 -15.501 539 1HZ LYS 70 1HZ LYS 70 7.270 6.140 -16.297 540 2HZ LYS 70 2HZ LYS 70 6.808 5.772 -14.713 541 3HZ LYS 70 3HZ LYS 70 5.986 5.076 -16.017 542 H LYS 71 H LYS 71 13.140 2.856 -15.555 543 HA LYS 71 HA LYS 71 14.641 4.759 -17.132 544 1HB LYS 71 2HB LYS 71 14.649 3.896 -14.265 545 2HB LYS 71 1HB LYS 71 16.037 4.763 -14.906 546 1HG LYS 71 2HG LYS 71 14.690 6.417 -13.968 547 2HG LYS 71 1HG LYS 71 14.366 6.517 -15.700 548 1HD LYS 71 2HD LYS 71 12.330 5.202 -15.400 549 2HD LYS 71 1HD LYS 71 12.662 5.069 -13.672 550 1HE LYS 71 2HE LYS 71 11.111 6.809 -13.817 551 2HE LYS 71 1HE LYS 71 12.664 7.631 -13.669 552 1HZ LYS 71 1HZ LYS 71 11.805 8.763 -15.415 553 2HZ LYS 71 2HZ LYS 71 10.853 7.473 -15.954 554 3HZ LYS 71 3HZ LYS 71 12.511 7.496 -16.287 555 H ARG 72 H ARG 72 16.711 4.549 -17.868 556 HA ARG 72 HA ARG 72 17.727 1.827 -18.046 557 1HB ARG 72 2HB ARG 72 19.372 2.882 -19.651 558 2HB ARG 72 1HB ARG 72 17.683 2.964 -20.130 559 1HG ARG 72 2HG ARG 72 18.626 5.270 -18.586 560 2HG ARG 72 1HG ARG 72 19.405 5.056 -20.155 561 1HD ARG 72 2HD ARG 72 16.822 4.640 -20.825 562 2HD ARG 72 1HD ARG 72 16.626 5.781 -19.496 563 HE ARG 72 HE ARG 72 18.537 6.931 -21.030 564 1HH1 ARG 72 1HH1 ARG 72 15.346 5.689 -21.708 565 2HH1 ARG 72 2HH1 ARG 72 15.052 6.803 -23.001 566 1HH2 ARG 72 1HH2 ARG 72 18.151 8.397 -22.730 567 2HH2 ARG 72 2HH2 ARG 72 16.644 8.340 -23.582 568 H LYS 73 H LYS 73 19.378 1.077 -16.890 569 HA LYS 73 HA LYS 73 20.765 2.899 -15.088 570 1HB LYS 73 2HB LYS 73 20.752 -0.119 -15.261 571 2HB LYS 73 1HB LYS 73 21.637 0.807 -14.056 572 1HG LYS 73 2HG LYS 73 19.495 1.756 -13.270 573 2HG LYS 73 1HG LYS 73 18.650 0.715 -14.416 574 1HD LYS 73 2HD LYS 73 19.678 -1.253 -13.311 575 2HD LYS 73 1HD LYS 73 20.389 -0.168 -12.114 576 1HE LYS 73 2HE LYS 73 18.514 -0.625 -10.955 577 2HE LYS 73 1HE LYS 73 17.804 0.603 -12.003 578 1HZ LYS 73 1HZ LYS 73 16.753 -0.967 -13.281 579 2HZ LYS 73 2HZ LYS 73 16.677 -1.703 -11.759 580 3HZ LYS 73 3HZ LYS 73 17.839 -2.202 -12.883 581 H ASP 74 H ASP 74 23.105 2.707 -14.790 582 HA ASP 74 HA ASP 74 24.516 3.084 -17.167 583 1HB ASP 74 2HB ASP 74 25.188 3.940 -14.912 584 2HB ASP 74 1HB ASP 74 25.700 2.307 -14.499 585 H ASN 75 H ASN 75 23.771 0.203 -15.432 586 HA ASN 75 HA ASN 75 23.991 -1.992 -16.035 587 1HB ASN 75 2HB ASN 75 23.950 -1.016 -18.415 588 2HB ASN 75 1HB ASN 75 25.701 -1.192 -18.375 589 1HD2 ASN 75 1HD2 ASN 75 22.693 -2.985 -17.918 590 2HD2 ASN 75 2HD2 ASN 75 23.300 -4.497 -18.494 591 H GLU 76 H GLU 76 26.360 0.021 -15.045 592 HA GLU 76 HA GLU 76 28.559 -1.871 -15.184 593 1HB GLU 76 2HB GLU 76 28.942 0.569 -15.486 594 2HB GLU 76 1HB GLU 76 28.434 0.824 -13.823 595 1HG GLU 76 2HG GLU 76 30.297 -0.603 -13.069 596 2HG GLU 76 1HG GLU 76 30.827 -0.750 -14.744 597 H GLY 77 H GLY 77 26.958 -3.335 -13.914 598 1HA GLY 77 2HA GLY 77 27.031 -4.618 -11.958 599 2HA GLY 77 1HA GLY 77 27.870 -3.303 -11.152 600 H ASN 78 H ASN 78 25.118 -2.270 -12.852 601 HA ASN 78 HA ASN 78 23.615 -2.126 -10.327 602 1HB ASN 78 2HB ASN 78 23.505 -0.362 -12.782 603 2HB ASN 78 1HB ASN 78 22.416 -0.212 -11.406 604 1HD2 ASN 78 1HD2 ASN 78 24.036 1.858 -12.276 605 2HD2 ASN 78 2HD2 ASN 78 25.222 2.190 -11.064 606 H GLU 79 H GLU 79 23.617 -4.436 -12.076 607 HA GLU 79 HA GLU 79 21.404 -4.563 -13.772 608 1HB GLU 79 2HB GLU 79 23.200 -6.274 -13.633 609 2HB GLU 79 1HB GLU 79 22.543 -6.800 -12.090 610 1HG GLU 79 2HG GLU 79 20.421 -7.356 -13.229 611 2HG GLU 79 1HG GLU 79 21.174 -6.932 -14.765 612 H VAL 80 H VAL 80 21.657 -4.985 -10.288 613 HA VAL 80 HA VAL 80 20.093 -5.115 -8.640 614 HB VAL 80 HB VAL 80 18.133 -4.045 -10.670 615 1HG1 VAL 80 1HG1 VAL 80 17.238 -2.957 -8.522 616 2HG1 VAL 80 2HG1 VAL 80 18.214 -4.157 -7.676 617 3HG1 VAL 80 3HG1 VAL 80 16.934 -4.675 -8.773 618 1HG2 VAL 80 1HG2 VAL 80 20.440 -2.771 -9.369 619 2HG2 VAL 80 2HG2 VAL 80 18.927 -1.872 -9.256 620 3HG2 VAL 80 3HG2 VAL 80 19.570 -2.320 -10.836 621 H VAL 81 H VAL 81 18.174 -6.282 -7.920 622 HA VAL 81 HA VAL 81 17.889 -8.771 -9.359 623 HB VAL 81 HB VAL 81 18.148 -8.796 -6.922 624 1HG1 VAL 81 1HG1 VAL 81 16.508 -6.640 -6.881 625 2HG1 VAL 81 2HG1 VAL 81 16.885 -7.632 -5.472 626 3HG1 VAL 81 3HG1 VAL 81 15.399 -7.914 -6.377 627 1HG2 VAL 81 1HG2 VAL 81 15.914 -10.037 -8.348 628 2HG2 VAL 81 2HG2 VAL 81 15.716 -10.000 -6.597 629 3HG2 VAL 81 3HG2 VAL 81 17.140 -10.760 -7.306 630 HA PRO 82 HA PRO 82 14.203 -7.097 -11.379 631 1HB PRO 82 2HB PRO 82 13.845 -9.184 -13.075 632 2HB PRO 82 1HB PRO 82 15.039 -7.911 -13.359 633 1HG PRO 82 2HG PRO 82 15.427 -10.650 -12.211 634 2HG PRO 82 1HG PRO 82 16.418 -9.786 -13.402 635 1HD PRO 82 2HD PRO 82 17.095 -9.940 -10.787 636 2HD PRO 82 1HD PRO 82 17.484 -8.529 -11.791 637 H LYS 83 H LYS 83 13.524 -7.790 -8.977 638 HA LYS 83 HA LYS 83 11.411 -9.812 -9.314 639 1HB LYS 83 2HB LYS 83 13.221 -10.739 -7.930 640 2HB LYS 83 1HB LYS 83 13.086 -9.370 -6.834 641 1HG LYS 83 2HG LYS 83 11.253 -10.190 -5.817 642 2HG LYS 83 1HG LYS 83 10.603 -10.882 -7.304 643 1HD LYS 83 2HD LYS 83 12.008 -12.783 -7.142 644 2HD LYS 83 1HD LYS 83 12.984 -12.040 -5.874 645 1HE LYS 83 2HE LYS 83 11.520 -13.686 -4.892 646 2HE LYS 83 1HE LYS 83 11.011 -12.075 -4.386 647 1HZ LYS 83 1HZ LYS 83 9.496 -12.364 -6.523 648 2HZ LYS 83 2HZ LYS 83 9.012 -12.902 -4.995 649 3HZ LYS 83 3HZ LYS 83 9.657 -13.997 -6.110 650 HA PRO 84 HA PRO 84 9.391 -5.759 -8.375 651 1HB PRO 84 2HB PRO 84 7.127 -7.512 -9.209 652 2HB PRO 84 1HB PRO 84 7.480 -5.840 -9.658 653 1HG PRO 84 2HG PRO 84 7.949 -7.825 -11.365 654 2HG PRO 84 1HG PRO 84 9.071 -6.459 -11.230 655 1HD PRO 84 2HD PRO 84 9.342 -9.244 -10.198 656 2HD PRO 84 1HD PRO 84 10.585 -8.148 -10.828 657 H GLN 85 H GLN 85 8.914 -5.319 -6.325 658 HA GLN 85 HA GLN 85 7.955 -7.430 -4.565 659 1HB GLN 85 2HB GLN 85 8.823 -4.592 -3.985 660 2HB GLN 85 1HB GLN 85 8.346 -5.765 -2.764 661 1HG GLN 85 2HG GLN 85 10.205 -7.219 -3.491 662 2HG GLN 85 1HG GLN 85 10.709 -5.959 -4.616 663 1HE2 GLN 85 1HE2 GLN 85 11.922 -4.311 -3.895 664 2HE2 GLN 85 2HE2 GLN 85 12.401 -4.089 -2.251 665 H ARG 86 H ARG 86 5.961 -7.526 -3.681 666 HA ARG 86 HA ARG 86 4.093 -5.334 -4.308 667 1HB ARG 86 2HB ARG 86 3.544 -8.306 -4.322 668 2HB ARG 86 1HB ARG 86 2.315 -7.061 -4.502 669 1HG ARG 86 2HG ARG 86 3.431 -6.281 -6.548 670 2HG ARG 86 1HG ARG 86 4.613 -7.582 -6.377 671 1HD ARG 86 2HD ARG 86 2.723 -9.208 -6.452 672 2HD ARG 86 1HD ARG 86 1.644 -7.861 -6.814 673 HE ARG 86 HE ARG 86 3.551 -7.652 -8.719 674 1HH1 ARG 86 1HH1 ARG 86 1.527 -10.284 -7.648 675 2HH1 ARG 86 2HH1 ARG 86 1.476 -11.044 -9.204 676 1HH2 ARG 86 1HH2 ARG 86 3.485 -8.649 -10.767 677 2HH2 ARG 86 2HH2 ARG 86 2.587 -10.116 -10.975 678 H HIS 87 H HIS 87 2.659 -4.722 -2.735 679 HA HIS 87 HA HIS 87 3.156 -5.846 -0.068 680 1HB HIS 87 2HB HIS 87 2.347 -3.144 -1.058 681 2HB HIS 87 1HB HIS 87 1.846 -3.636 0.556 682 HD1 HIS 87 HD1 HIS 87 3.478 -3.165 2.358 683 HD2 HIS 87 HD2 HIS 87 5.297 -3.348 -1.373 684 HE1 HIS 87 HE1 HIS 87 5.883 -2.543 2.753 685 HE2 HIS 87 HE2 HIS 87 6.983 -2.747 0.495 686 H MET 88 H MET 88 1.721 -7.359 0.464 687 HA MET 88 HA MET 88 -1.035 -7.139 -0.486 688 1HB MET 88 2HB MET 88 0.396 -9.402 0.919 689 2HB MET 88 1HB MET 88 -1.269 -9.457 0.355 690 1HG MET 88 2HG MET 88 -0.460 -9.098 -1.949 691 2HG MET 88 1HG MET 88 1.195 -9.161 -1.346 692 1HE MET 88 1HE MET 88 1.282 -10.563 -3.306 693 2HE MET 88 2HE MET 88 0.419 -12.076 -3.580 694 3HE MET 88 3HE MET 88 1.955 -12.080 -2.711 695 H PHE 89 H PHE 89 -2.576 -6.343 0.771 696 HA PHE 89 HA PHE 89 -2.130 -6.299 3.683 697 1HB PHE 89 2HB PHE 89 -3.592 -4.368 1.884 698 2HB PHE 89 1HB PHE 89 -3.763 -4.351 3.636 699 HD1 PHE 89 HD1 PHE 89 -1.678 -3.469 0.822 700 HD2 PHE 89 HD2 PHE 89 -1.812 -3.831 5.059 701 HE1 PHE 89 HE1 PHE 89 0.332 -2.063 1.000 702 HE2 PHE 89 HE2 PHE 89 0.199 -2.423 5.246 703 HZ PHE 89 HZ PHE 89 1.272 -1.537 3.215 704 H SER 90 H SER 90 -4.043 -6.446 5.035 705 HA SER 90 HA SER 90 -6.231 -7.962 3.773 706 1HB SER 90 2HB SER 90 -4.474 -8.706 6.006 707 2HB SER 90 1HB SER 90 -6.190 -8.903 6.356 708 HG SER 90 HG SER 90 -4.971 -10.706 5.280 709 H PHE 91 H PHE 91 -8.104 -6.935 3.969 710 HA PHE 91 HA PHE 91 -8.416 -4.937 6.078 711 1HB PHE 91 2HB PHE 91 -9.691 -5.397 3.416 712 2HB PHE 91 1HB PHE 91 -10.573 -4.490 4.641 713 HD1 PHE 91 HD1 PHE 91 -7.547 -4.564 2.564 714 HD2 PHE 91 HD2 PHE 91 -9.951 -2.290 5.236 715 HE1 PHE 91 HE1 PHE 91 -6.279 -2.546 1.968 716 HE2 PHE 91 HE2 PHE 91 -8.689 -0.256 4.644 717 HZ PHE 91 HZ PHE 91 -6.849 -0.382 3.008 718 H ASN 92 H ASN 92 -9.944 -5.019 7.617 719 HA ASN 92 HA ASN 92 -11.412 -7.536 7.882 720 1HB ASN 92 2HB ASN 92 -9.971 -6.764 9.767 721 2HB ASN 92 1HB ASN 92 -11.006 -5.349 9.932 722 1HD2 ASN 92 1HD2 ASN 92 -11.095 -8.882 9.918 723 2HD2 ASN 92 2HD2 ASN 92 -12.367 -9.029 11.078 724 H ASN 93 H ASN 93 -12.024 -4.831 6.337 725 HA ASN 93 HA ASN 93 -14.860 -5.013 6.796 726 1HB ASN 93 2HB ASN 93 -13.968 -3.309 8.454 727 2HB ASN 93 1HB ASN 93 -13.561 -2.308 7.063 728 1HD2 ASN 93 1HD2 ASN 93 -15.140 -1.083 8.663 729 2HD2 ASN 93 2HD2 ASN 93 -16.790 -1.094 8.150 730 H ARG 94 H ARG 94 -15.879 -4.923 4.916 731 HA ARG 94 HA ARG 94 -14.525 -4.473 2.490 732 1HB ARG 94 2HB ARG 94 -17.488 -4.554 3.087 733 2HB ARG 94 1HB ARG 94 -16.804 -4.546 1.468 734 1HG ARG 94 2HG ARG 94 -15.629 -6.656 1.998 735 2HG ARG 94 1HG ARG 94 -16.439 -6.674 3.566 736 1HD ARG 94 2HD ARG 94 -18.621 -6.626 2.350 737 2HD ARG 94 1HD ARG 94 -17.725 -6.815 0.843 738 HE ARG 94 HE ARG 94 -17.103 -8.840 2.770 739 1HH1 ARG 94 1HH1 ARG 94 -19.367 -7.889 0.290 740 2HH1 ARG 94 2HH1 ARG 94 -19.874 -9.510 -0.044 741 1HH2 ARG 94 1HH2 ARG 94 -17.768 -10.973 2.333 742 2HH2 ARG 94 2HH2 ARG 94 -18.967 -11.262 1.116 743 H THR 95 H THR 95 -16.279 -2.357 4.620 744 HA THR 95 HA THR 95 -16.606 -0.255 2.730 745 HB THR 95 HB THR 95 -17.223 -0.748 5.552 746 HG1 THR 95 HG1 THR 95 -18.470 0.898 3.613 747 1HG2 THR 95 1HG2 THR 95 -16.515 2.027 4.670 748 2HG2 THR 95 2HG2 THR 95 -15.929 1.139 6.076 749 3HG2 THR 95 3HG2 THR 95 -17.605 1.686 6.014 750 H VAL 96 H VAL 96 -14.410 -0.962 5.359 751 HA VAL 96 HA VAL 96 -12.855 1.387 5.101 752 HB VAL 96 HB VAL 96 -12.042 -1.257 6.311 753 1HG1 VAL 96 1HG1 VAL 96 -10.041 -0.156 6.162 754 2HG1 VAL 96 2HG1 VAL 96 -10.624 0.474 7.703 755 3HG1 VAL 96 3HG1 VAL 96 -10.787 1.440 6.238 756 1HG2 VAL 96 1HG2 VAL 96 -13.138 -0.734 8.207 757 2HG2 VAL 96 2HG2 VAL 96 -14.116 0.272 7.140 758 3HG2 VAL 96 3HG2 VAL 96 -12.790 0.987 8.056 759 H MET 97 H MET 97 -12.767 -1.749 3.599 760 HA MET 97 HA MET 97 -10.161 -1.383 2.445 761 1HB MET 97 2HB MET 97 -10.374 -3.510 1.578 762 2HB MET 97 1HB MET 97 -11.440 -3.606 2.970 763 1HG MET 97 2HG MET 97 -13.367 -3.231 1.520 764 2HG MET 97 1HG MET 97 -12.298 -3.131 0.124 765 1HE MET 97 1HE MET 97 -14.454 -4.600 -0.270 766 2HE MET 97 2HE MET 97 -14.512 -6.340 0.010 767 3HE MET 97 3HE MET 97 -13.478 -5.685 -1.259 768 H ASP 98 H ASP 98 -13.471 -0.806 1.470 769 HA ASP 98 HA ASP 98 -12.771 -0.239 -1.253 770 1HB ASP 98 2HB ASP 98 -15.293 -0.200 0.342 771 2HB ASP 98 1HB ASP 98 -15.238 0.694 -1.174 772 H ASN 99 H ASN 99 -13.054 1.517 1.696 773 HA ASN 99 HA ASN 99 -13.372 4.093 0.533 774 1HB ASN 99 2HB ASN 99 -12.560 3.182 3.287 775 2HB ASN 99 1HB ASN 99 -12.674 4.883 2.847 776 1HD2 ASN 99 1HD2 ASN 99 -14.186 3.958 4.875 777 2HD2 ASN 99 2HD2 ASN 99 -15.850 3.893 4.410 778 H ILE 100 H ILE 100 -10.687 2.066 1.334 779 HA ILE 100 HA ILE 100 -8.729 4.179 1.018 780 HB ILE 100 HB ILE 100 -8.336 1.203 1.371 781 1HG1 ILE 100 2HG1 ILE 100 -9.452 2.397 3.275 782 2HG1 ILE 100 1HG1 ILE 100 -7.904 1.672 3.689 783 1HG2 ILE 100 1HG2 ILE 100 -6.424 2.230 0.290 784 2HG2 ILE 100 2HG2 ILE 100 -6.023 1.787 1.950 785 3HG2 ILE 100 3HG2 ILE 100 -6.356 3.471 1.543 786 1HD1 ILE 100 1HD1 ILE 100 -6.864 3.706 3.916 787 2HD1 ILE 100 2HD1 ILE 100 -8.489 4.066 4.499 788 3HD1 ILE 100 3HD1 ILE 100 -8.013 4.533 2.865 789 H LYS 101 H LYS 101 -9.770 1.279 -0.740 790 HA LYS 101 HA LYS 101 -7.907 1.216 -2.757 791 1HB LYS 101 2HB LYS 101 -9.395 -0.124 -3.978 792 2HB LYS 101 1HB LYS 101 -9.847 -0.389 -2.301 793 1HG LYS 101 2HG LYS 101 -11.796 0.908 -2.509 794 2HG LYS 101 1HG LYS 101 -11.268 1.604 -4.041 795 1HD LYS 101 2HD LYS 101 -12.971 -0.067 -4.444 796 2HD LYS 101 1HD LYS 101 -11.423 -0.625 -5.080 797 1HE LYS 101 2HE LYS 101 -11.196 -1.763 -2.743 798 2HE LYS 101 1HE LYS 101 -12.948 -1.571 -2.691 799 1HZ LYS 101 1HZ LYS 101 -11.512 -2.901 -4.920 800 2HZ LYS 101 2HZ LYS 101 -13.180 -2.878 -4.643 801 3HZ LYS 101 3HZ LYS 101 -12.162 -3.734 -3.599 802 H MET 102 H MET 102 -10.740 3.305 -2.502 803 HA MET 102 HA MET 102 -10.502 4.382 -5.121 804 1HB MET 102 2HB MET 102 -11.939 5.407 -2.677 805 2HB MET 102 1HB MET 102 -12.068 6.137 -4.272 806 1HG MET 102 2HG MET 102 -12.933 3.976 -5.129 807 2HG MET 102 1HG MET 102 -12.929 3.368 -3.474 808 1HE MET 102 1HE MET 102 -14.403 4.400 -1.524 809 2HE MET 102 2HE MET 102 -15.536 5.732 -1.747 810 3HE MET 102 3HE MET 102 -13.800 6.021 -1.868 811 H THR 103 H THR 103 -9.593 5.582 -1.937 812 HA THR 103 HA THR 103 -8.533 8.023 -2.722 813 HB THR 103 HB THR 103 -7.280 6.569 -0.469 814 HG1 THR 103 HG1 THR 103 -9.138 6.578 0.738 815 1HG2 THR 103 1HG2 THR 103 -7.724 8.575 0.747 816 2HG2 THR 103 2HG2 THR 103 -8.739 9.182 -0.561 817 3HG2 THR 103 3HG2 THR 103 -7.001 8.997 -0.804 818 H LEU 104 H LEU 104 -7.054 4.825 -2.436 819 HA LEU 104 HA LEU 104 -4.404 5.647 -2.963 820 1HB LEU 104 2HB LEU 104 -5.756 2.980 -3.385 821 2HB LEU 104 1HB LEU 104 -4.028 3.245 -3.530 822 HG LEU 104 HG LEU 104 -5.676 3.547 -1.019 823 1HD1 LEU 104 1HD1 LEU 104 -4.146 1.693 -0.256 824 2HD1 LEU 104 2HD1 LEU 104 -3.672 1.504 -1.945 825 3HD1 LEU 104 3HD1 LEU 104 -5.351 1.248 -1.466 826 1HD2 LEU 104 1HD2 LEU 104 -2.759 4.067 -1.556 827 2HD2 LEU 104 2HD2 LEU 104 -3.439 3.865 0.059 828 3HD2 LEU 104 3HD2 LEU 104 -3.966 5.206 -0.958 829 H GLN 105 H GLN 105 -7.096 4.727 -5.035 830 HA GLN 105 HA GLN 105 -5.597 4.552 -7.433 831 1HB GLN 105 2HB GLN 105 -8.520 4.908 -6.835 832 2HB GLN 105 1HB GLN 105 -7.922 4.971 -8.487 833 1HG GLN 105 2HG GLN 105 -6.784 2.671 -7.454 834 2HG GLN 105 1HG GLN 105 -8.412 2.691 -6.775 835 1HE2 GLN 105 1HE2 GLN 105 -8.081 0.672 -8.312 836 2HE2 GLN 105 2HE2 GLN 105 -8.751 0.884 -9.890 837 H GLN 106 H GLN 106 -7.119 7.167 -5.718 838 HA GLN 106 HA GLN 106 -7.024 9.082 -7.793 839 1HB GLN 106 2HB GLN 106 -7.050 9.409 -4.788 840 2HB GLN 106 1HB GLN 106 -7.184 10.750 -5.917 841 1HG GLN 106 2HG GLN 106 -9.229 9.749 -6.839 842 2HG GLN 106 1HG GLN 106 -9.103 8.447 -5.656 843 1HE2 GLN 106 1HE2 GLN 106 -10.719 11.154 -6.300 844 2HE2 GLN 106 2HE2 GLN 106 -11.080 11.702 -4.702 845 H ILE 107 H ILE 107 -4.754 8.153 -5.254 846 HA ILE 107 HA ILE 107 -2.850 10.167 -5.632 847 HB ILE 107 HB ILE 107 -2.423 7.286 -4.821 848 1HG1 ILE 107 2HG1 ILE 107 -2.563 9.732 -3.057 849 2HG1 ILE 107 1HG1 ILE 107 -3.973 8.741 -3.422 850 1HG2 ILE 107 1HG2 ILE 107 -0.525 9.283 -5.460 851 2HG2 ILE 107 2HG2 ILE 107 -0.244 7.676 -4.792 852 3HG2 ILE 107 3HG2 ILE 107 -0.486 9.049 -3.712 853 1HD1 ILE 107 1HD1 ILE 107 -1.770 7.121 -2.513 854 2HD1 ILE 107 2HD1 ILE 107 -3.412 7.256 -1.881 855 3HD1 ILE 107 3HD1 ILE 107 -2.165 8.387 -1.352 856 H ILE 108 H ILE 108 -3.263 7.030 -7.190 857 HA ILE 108 HA ILE 108 -1.016 6.917 -8.805 858 HB ILE 108 HB ILE 108 -3.734 6.131 -9.816 859 1HG1 ILE 108 2HG1 ILE 108 -3.812 5.217 -7.661 860 2HG1 ILE 108 1HG1 ILE 108 -3.241 3.894 -8.670 861 1HG2 ILE 108 1HG2 ILE 108 -2.070 5.802 -11.428 862 2HG2 ILE 108 2HG2 ILE 108 -2.368 4.210 -10.728 863 3HG2 ILE 108 3HG2 ILE 108 -0.941 5.131 -10.252 864 1HD1 ILE 108 1HD1 ILE 108 -0.942 5.204 -7.793 865 2HD1 ILE 108 2HD1 ILE 108 -1.567 3.646 -7.248 866 3HD1 ILE 108 3HD1 ILE 108 -2.011 5.124 -6.393 867 H SER 109 H SER 109 -4.163 8.243 -9.528 868 HA SER 109 HA SER 109 -3.653 9.239 -12.074 869 1HB SER 109 2HB SER 109 -5.912 9.067 -11.037 870 2HB SER 109 1HB SER 109 -5.519 10.463 -10.034 871 HG SER 109 HG SER 109 -6.641 10.626 -12.288 872 H ARG 110 H ARG 110 -2.895 10.570 -8.959 873 HA ARG 110 HA ARG 110 -2.261 13.179 -9.887 874 1HB ARG 110 2HB ARG 110 -1.524 11.743 -7.339 875 2HB ARG 110 1HB ARG 110 -1.162 13.435 -7.652 876 1HG ARG 110 2HG ARG 110 -3.575 13.879 -7.887 877 2HG ARG 110 1HG ARG 110 -3.898 12.193 -7.479 878 1HD ARG 110 2HD ARG 110 -4.179 13.480 -5.491 879 2HD ARG 110 1HD ARG 110 -2.677 12.567 -5.328 880 HE ARG 110 HE ARG 110 -2.239 15.179 -6.389 881 1HH1 ARG 110 1HH1 ARG 110 -2.790 13.412 -3.431 882 2HH1 ARG 110 2HH1 ARG 110 -1.993 14.582 -2.436 883 1HH2 ARG 110 1HH2 ARG 110 -1.188 16.720 -5.081 884 2HH2 ARG 110 2HH2 ARG 110 -1.083 16.461 -3.373 885 H TYR 111 H TYR 111 -0.483 10.226 -9.430 886 HA TYR 111 HA TYR 111 2.097 11.385 -9.811 887 1HB TYR 111 2HB TYR 111 1.015 8.611 -9.647 888 2HB TYR 111 1HB TYR 111 2.608 8.838 -10.363 889 HD1 TYR 111 HD1 TYR 111 4.439 9.826 -9.002 890 HD2 TYR 111 HD2 TYR 111 0.677 8.810 -7.296 891 HE1 TYR 111 HE1 TYR 111 5.441 9.912 -6.758 892 HE2 TYR 111 HE2 TYR 111 1.668 8.893 -5.047 893 HH TYR 111 HH TYR 111 4.451 10.354 -4.317 894 H LYS 112 H LYS 112 -0.379 10.144 -11.878 895 HA LYS 112 HA LYS 112 1.216 9.827 -14.207 896 1HB LYS 112 2HB LYS 112 -1.765 10.150 -13.851 897 2HB LYS 112 1HB LYS 112 -0.993 9.793 -15.391 898 1HG LYS 112 2HG LYS 112 -0.102 7.712 -14.448 899 2HG LYS 112 1HG LYS 112 -0.923 8.065 -12.926 900 1HD LYS 112 2HD LYS 112 -2.720 8.236 -15.198 901 2HD LYS 112 1HD LYS 112 -1.957 6.650 -15.078 902 1HE LYS 112 2HE LYS 112 -2.763 7.495 -12.471 903 2HE LYS 112 1HE LYS 112 -4.125 7.670 -13.578 904 1HZ LYS 112 1HZ LYS 112 -4.024 5.402 -14.145 905 2HZ LYS 112 2HZ LYS 112 -3.893 5.450 -12.460 906 3HZ LYS 112 3HZ LYS 112 -2.516 5.189 -13.406 907 H ASP 113 H ASP 113 -0.701 12.444 -12.846 908 HA ASP 113 HA ASP 113 -0.733 14.169 -15.041 909 1HB ASP 113 2HB ASP 113 -0.698 14.772 -12.079 910 2HB ASP 113 1HB ASP 113 -0.988 15.987 -13.321 911 H ALA 114 H ALA 114 1.733 13.611 -12.593 912 HA ALA 114 HA ALA 114 3.395 15.794 -13.170 913 1HB ALA 114 1HB ALA 114 4.099 13.067 -12.096 914 2HB ALA 114 2HB ALA 114 3.692 14.503 -11.156 915 3HB ALA 114 3HB ALA 114 5.181 14.461 -12.100 916 H ASP 115 H ASP 115 3.047 12.660 -14.697 917 HA ASP 115 HA ASP 115 5.215 13.338 -16.567 918 1HB ASP 115 2HB ASP 115 3.945 10.676 -15.899 919 2HB ASP 115 1HB ASP 115 5.129 10.908 -17.181 Start of MODEL 13 1 HT1 PRO 1 HT2 PRO 1 -13.369 13.438 5.323 2 HT2 PRO 1 HT1 PRO 1 -13.376 11.749 5.546 3 HA PRO 1 HA PRO 1 -11.588 13.318 4.174 4 1HB PRO 1 2HB PRO 1 -9.673 11.955 5.630 5 2HB PRO 1 1HB PRO 1 -10.034 13.680 5.774 6 1HG PRO 1 2HG PRO 1 -10.935 11.405 7.477 7 2HG PRO 1 1HG PRO 1 -10.549 13.071 7.940 8 1HD PRO 1 2HD PRO 1 -13.102 12.150 7.733 9 2HD PRO 1 1HD PRO 1 -12.663 13.839 7.411 10 H SER 2 H SER 2 -12.146 10.247 5.782 11 HA SER 2 HA SER 2 -12.103 8.086 5.067 12 1HB SER 2 2HB SER 2 -13.815 8.898 3.500 13 2HB SER 2 1HB SER 2 -12.554 9.363 2.358 14 HG SER 2 HG SER 2 -12.612 7.394 1.664 15 H HIS 3 H HIS 3 -9.604 9.669 5.136 16 HA HIS 3 HA HIS 3 -8.027 8.365 3.043 17 1HB HIS 3 2HB HIS 3 -7.589 10.736 4.809 18 2HB HIS 3 1HB HIS 3 -6.190 9.883 4.167 19 HD1 HIS 3 HD1 HIS 3 -8.856 12.258 3.239 20 HD2 HIS 3 HD2 HIS 3 -5.967 9.976 1.313 21 HE1 HIS 3 HE1 HIS 3 -8.701 13.195 0.911 22 HE2 HIS 3 HE2 HIS 3 -6.884 11.856 -0.207 23 H SER 4 H SER 4 -8.720 8.199 6.399 24 HA SER 4 HA SER 4 -6.490 6.309 6.783 25 1HB SER 4 2HB SER 4 -6.662 6.825 9.202 26 2HB SER 4 1HB SER 4 -6.269 8.251 8.240 27 HG SER 4 HG SER 4 -8.368 8.953 8.449 28 H GLY 5 H GLY 5 -6.979 4.264 7.169 29 1HA GLY 5 2HA GLY 5 -9.489 3.545 8.455 30 2HA GLY 5 1HA GLY 5 -9.286 2.984 6.800 31 H ALA 6 H ALA 6 -9.504 1.451 9.319 32 HA ALA 6 HA ALA 6 -6.992 0.440 10.069 33 1HB ALA 6 1HB ALA 6 -9.681 -0.901 10.213 34 2HB ALA 6 2HB ALA 6 -8.940 0.103 11.460 35 3HB ALA 6 3HB ALA 6 -8.214 -1.446 11.026 36 H ALA 7 H ALA 7 -5.750 -1.162 9.329 37 HA ALA 7 HA ALA 7 -6.679 -2.990 7.301 38 1HB ALA 7 1HB ALA 7 -4.510 -0.994 6.698 39 2HB ALA 7 2HB ALA 7 -6.087 -1.113 5.917 40 3HB ALA 7 3HB ALA 7 -4.894 -2.393 5.696 41 H ILE 8 H ILE 8 -5.391 -4.837 7.061 42 HA ILE 8 HA ILE 8 -3.445 -5.231 9.209 43 HB ILE 8 HB ILE 8 -4.576 -7.281 7.313 44 1HG1 ILE 8 2HG1 ILE 8 -5.466 -6.829 10.151 45 2HG1 ILE 8 1HG1 ILE 8 -6.273 -6.071 8.777 46 1HG2 ILE 8 1HG2 ILE 8 -3.560 -7.947 10.021 47 2HG2 ILE 8 2HG2 ILE 8 -2.386 -7.611 8.751 48 3HG2 ILE 8 3HG2 ILE 8 -3.560 -8.907 8.542 49 1HD1 ILE 8 1HD1 ILE 8 -7.062 -8.059 7.972 50 2HD1 ILE 8 2HD1 ILE 8 -7.153 -8.313 9.717 51 3HD1 ILE 8 3HD1 ILE 8 -5.817 -9.008 8.790 52 H PHE 9 H PHE 9 -1.370 -5.867 8.878 53 HA PHE 9 HA PHE 9 -0.416 -6.299 6.162 54 1HB PHE 9 2HB PHE 9 -0.146 -3.887 6.492 55 2HB PHE 9 1HB PHE 9 0.750 -4.179 7.976 56 HD1 PHE 9 HD1 PHE 9 2.989 -3.797 7.774 57 HD2 PHE 9 HD2 PHE 9 0.890 -5.472 4.479 58 HE1 PHE 9 HE1 PHE 9 5.090 -3.891 6.492 59 HE2 PHE 9 HE2 PHE 9 2.983 -5.572 3.187 60 HZ PHE 9 HZ PHE 9 5.087 -4.780 4.194 61 H GLU 10 H GLU 10 0.384 -8.271 6.406 62 HA GLU 10 HA GLU 10 1.878 -9.890 6.973 63 1HB GLU 10 2HB GLU 10 2.952 -8.014 9.074 64 2HB GLU 10 1HB GLU 10 3.734 -9.447 8.431 65 1HG GLU 10 2HG GLU 10 3.841 -8.353 6.221 66 2HG GLU 10 1HG GLU 10 3.158 -6.897 6.944 67 H LYS 11 H LYS 11 -0.630 -10.124 7.877 68 HA LYS 11 HA LYS 11 -1.925 -11.239 9.334 69 1HB LYS 11 2HB LYS 11 0.816 -12.121 10.029 70 2HB LYS 11 1HB LYS 11 -0.509 -12.606 11.082 71 1HG LYS 11 2HG LYS 11 -0.863 -12.990 8.171 72 2HG LYS 11 1HG LYS 11 0.279 -14.054 8.998 73 1HD LYS 11 2HD LYS 11 -1.545 -15.303 9.428 74 2HD LYS 11 1HD LYS 11 -1.837 -14.119 10.704 75 1HE LYS 11 2HE LYS 11 -3.846 -13.917 9.708 76 2HE LYS 11 1HE LYS 11 -2.969 -12.861 8.600 77 1HZ LYS 11 1HZ LYS 11 -3.882 -15.628 8.198 78 2HZ LYS 11 2HZ LYS 11 -2.533 -15.070 7.343 79 3HZ LYS 11 3HZ LYS 11 -4.024 -14.292 7.170 80 H VAL 12 H VAL 12 -0.589 -8.488 10.112 81 HA VAL 12 HA VAL 12 -1.593 -8.565 12.851 82 HB VAL 12 HB VAL 12 0.701 -6.896 11.821 83 1HG1 VAL 12 1HG1 VAL 12 -0.733 -5.680 13.426 84 2HG1 VAL 12 2HG1 VAL 12 0.886 -5.990 14.054 85 3HG1 VAL 12 3HG1 VAL 12 -0.474 -6.974 14.596 86 1HG2 VAL 12 1HG2 VAL 12 0.851 -8.851 14.076 87 2HG2 VAL 12 2HG2 VAL 12 2.146 -8.214 13.062 88 3HG2 VAL 12 3HG2 VAL 12 1.013 -9.395 12.407 89 H SER 13 H SER 13 -3.043 -6.963 13.386 90 HA SER 13 HA SER 13 -3.907 -5.308 11.126 91 1HB SER 13 2HB SER 13 -5.581 -6.823 12.146 92 2HB SER 13 1HB SER 13 -5.395 -5.971 13.679 93 HG SER 13 HG SER 13 -6.117 -4.073 12.606 94 H GLY 14 H GLY 14 -4.229 -3.167 11.248 95 1HA GLY 14 2HA GLY 14 -3.903 -1.647 13.653 96 2HA GLY 14 1HA GLY 14 -2.497 -1.551 12.599 97 H ILE 15 H ILE 15 -3.523 0.808 12.908 98 HA ILE 15 HA ILE 15 -5.600 1.244 10.916 99 HB ILE 15 HB ILE 15 -4.375 3.022 13.001 100 1HG1 ILE 15 2HG1 ILE 15 -6.807 3.211 13.628 101 2HG1 ILE 15 1HG1 ILE 15 -7.156 2.018 12.377 102 1HG2 ILE 15 1HG2 ILE 15 -6.056 3.819 10.637 103 2HG2 ILE 15 2HG2 ILE 15 -4.533 4.521 11.187 104 3HG2 ILE 15 3HG2 ILE 15 -6.008 4.771 12.121 105 1HD1 ILE 15 1HD1 ILE 15 -6.873 1.293 14.860 106 2HD1 ILE 15 2HD1 ILE 15 -5.152 1.369 14.478 107 3HD1 ILE 15 3HD1 ILE 15 -6.215 0.303 13.556 108 H ILE 16 H ILE 16 -5.267 1.946 8.955 109 HA ILE 16 HA ILE 16 -2.540 2.660 8.157 110 HB ILE 16 HB ILE 16 -4.742 1.167 6.934 111 1HG1 ILE 16 2HG1 ILE 16 -1.763 1.373 6.476 112 2HG1 ILE 16 1HG1 ILE 16 -2.638 0.123 7.348 113 1HG2 ILE 16 1HG2 ILE 16 -5.092 3.037 5.510 114 2HG2 ILE 16 2HG2 ILE 16 -4.141 1.878 4.584 115 3HG2 ILE 16 3HG2 ILE 16 -3.360 3.290 5.295 116 1HD1 ILE 16 1HD1 ILE 16 -3.637 0.249 4.687 117 2HD1 ILE 16 2HD1 ILE 16 -2.812 -1.076 5.506 118 3HD1 ILE 16 3HD1 ILE 16 -1.878 0.146 4.644 119 H ALA 17 H ALA 17 -2.106 4.744 7.892 120 HA ALA 17 HA ALA 17 -4.308 6.576 7.214 121 1HB ALA 17 1HB ALA 17 -3.296 7.106 9.342 122 2HB ALA 17 2HB ALA 17 -2.893 8.359 8.168 123 3HB ALA 17 3HB ALA 17 -1.692 7.142 8.605 124 H ILE 18 H ILE 18 -4.105 7.988 5.512 125 HA ILE 18 HA ILE 18 -1.829 7.483 3.725 126 HB ILE 18 HB ILE 18 -4.721 7.836 3.276 127 1HG1 ILE 18 2HG1 ILE 18 -2.600 6.597 1.523 128 2HG1 ILE 18 1HG1 ILE 18 -3.335 5.759 2.887 129 1HG2 ILE 18 1HG2 ILE 18 -4.250 8.690 0.918 130 2HG2 ILE 18 2HG2 ILE 18 -2.702 9.238 1.561 131 3HG2 ILE 18 3HG2 ILE 18 -4.207 9.859 2.238 132 1HD1 ILE 18 1HD1 ILE 18 -5.567 6.293 1.724 133 2HD1 ILE 18 2HD1 ILE 18 -4.552 5.006 1.072 134 3HD1 ILE 18 3HD1 ILE 18 -4.571 6.592 0.299 135 H ASN 19 H ASN 19 -0.358 9.041 3.888 136 HA ASN 19 HA ASN 19 -1.273 11.817 4.229 137 1HB ASN 19 2HB ASN 19 1.382 10.534 4.906 138 2HB ASN 19 1HB ASN 19 1.057 12.261 5.029 139 1HD2 ASN 19 1HD2 ASN 19 1.890 10.823 7.200 140 2HD2 ASN 19 2HD2 ASN 19 0.605 10.706 8.348 141 H GLU 20 H GLU 20 -1.378 12.823 2.332 142 HA GLU 20 HA GLU 20 0.504 12.121 0.217 143 1HB GLU 20 2HB GLU 20 -0.973 13.762 -1.115 144 2HB GLU 20 1HB GLU 20 -1.657 12.210 -0.655 145 1HG GLU 20 2HG GLU 20 -3.007 13.153 0.988 146 2HG GLU 20 1HG GLU 20 -2.061 14.641 1.043 147 H ASP 21 H ASP 21 0.146 14.457 2.646 148 HA ASP 21 HA ASP 21 1.124 16.775 1.470 149 1HB ASP 21 2HB ASP 21 1.510 15.703 4.269 150 2HB ASP 21 1HB ASP 21 1.981 17.326 3.774 151 H VAL 22 H VAL 22 2.719 13.818 2.192 152 HA VAL 22 HA VAL 22 5.375 14.893 2.108 153 HB VAL 22 HB VAL 22 4.831 12.008 1.762 154 1HG1 VAL 22 1HG1 VAL 22 6.786 12.205 3.592 155 2HG1 VAL 22 2HG1 VAL 22 7.013 13.726 2.727 156 3HG1 VAL 22 3HG1 VAL 22 7.073 12.195 1.853 157 1HG2 VAL 22 1HG2 VAL 22 4.945 12.140 4.443 158 2HG2 VAL 22 2HG2 VAL 22 3.434 12.078 3.537 159 3HG2 VAL 22 3HG2 VAL 22 4.063 13.628 4.099 160 H SER 23 H SER 23 6.955 14.349 0.500 161 HA SER 23 HA SER 23 5.869 13.486 -2.080 162 1HB SER 23 2HB SER 23 7.575 15.382 -2.947 163 2HB SER 23 1HB SER 23 5.861 15.688 -2.662 164 HG SER 23 HG SER 23 7.429 17.183 -1.661 165 HA PRO 24 HA PRO 24 6.102 11.956 -3.318 166 1HB PRO 24 2HB PRO 24 6.905 9.203 -2.730 167 2HB PRO 24 1HB PRO 24 6.627 9.976 -4.292 168 1HG PRO 24 2HG PRO 24 9.092 9.264 -3.454 169 2HG PRO 24 1HG PRO 24 8.810 10.681 -4.482 170 1HD PRO 24 2HD PRO 24 9.278 10.547 -1.523 171 2HD PRO 24 1HD PRO 24 9.931 11.690 -2.715 172 H ALA 25 H ALA 25 4.129 11.252 -2.553 173 HA ALA 25 HA ALA 25 3.603 11.409 0.178 174 1HB ALA 25 1HB ALA 25 1.394 10.301 -0.464 175 2HB ALA 25 2HB ALA 25 2.020 10.280 -2.112 176 3HB ALA 25 3HB ALA 25 1.803 11.815 -1.270 177 H GLU 26 H GLU 26 2.474 9.618 1.458 178 HA GLU 26 HA GLU 26 3.359 6.924 0.911 179 1HB GLU 26 2HB GLU 26 4.460 8.422 3.293 180 2HB GLU 26 1HB GLU 26 4.618 6.691 3.032 181 1HG GLU 26 2HG GLU 26 5.842 7.176 0.929 182 2HG GLU 26 1HG GLU 26 5.781 8.889 1.339 183 H LEU 27 H LEU 27 2.502 5.357 2.397 184 HA LEU 27 HA LEU 27 0.153 6.348 3.873 185 1HB LEU 27 2HB LEU 27 -0.424 4.977 1.929 186 2HB LEU 27 1HB LEU 27 0.586 3.678 2.531 187 HG LEU 27 HG LEU 27 -1.695 4.682 4.189 188 1HD1 LEU 27 1HD1 LEU 27 -3.195 3.126 3.147 189 2HD1 LEU 27 2HD1 LEU 27 -1.927 2.569 2.055 190 3HD1 LEU 27 3HD1 LEU 27 -2.558 4.209 1.910 191 1HD2 LEU 27 1HD2 LEU 27 0.016 2.249 4.028 192 2HD2 LEU 27 2HD2 LEU 27 -1.625 2.105 4.657 193 3HD2 LEU 27 3HD2 LEU 27 -0.475 3.192 5.435 194 H THR 28 H THR 28 0.339 6.203 6.020 195 HA THR 28 HA THR 28 2.382 4.578 7.209 196 HB THR 28 HB THR 28 0.540 6.028 8.945 197 HG1 THR 28 HG1 THR 28 1.066 8.057 8.205 198 1HG2 THR 28 1HG2 THR 28 2.772 5.283 9.637 199 2HG2 THR 28 2HG2 THR 28 2.547 7.025 9.803 200 3HG2 THR 28 3HG2 THR 28 3.468 6.378 8.446 201 H TRP 29 H TRP 29 2.044 2.981 8.744 202 HA TRP 29 HA TRP 29 -0.691 2.006 9.119 203 1HB TRP 29 2HB TRP 29 0.351 0.599 7.401 204 2HB TRP 29 1HB TRP 29 1.720 0.294 8.469 205 HD1 TRP 29 HD1 TRP 29 -2.095 0.031 9.056 206 HE1 TRP 29 HE1 TRP 29 -2.600 -2.292 10.063 207 HE3 TRP 29 HE3 TRP 29 2.648 -1.868 9.122 208 HZ2 TRP 29 HZ2 TRP 29 -1.169 -4.591 10.787 209 HZ3 TRP 29 HZ3 TRP 29 2.992 -4.146 9.995 210 HH2 TRP 29 HH2 TRP 29 1.109 -5.485 10.807 211 H ARG 30 H ARG 30 -1.043 2.250 11.234 212 HA ARG 30 HA ARG 30 1.165 1.661 13.089 213 1HB ARG 30 2HB ARG 30 0.085 3.904 13.262 214 2HB ARG 30 1HB ARG 30 -1.436 3.110 13.649 215 1HG ARG 30 2HG ARG 30 -0.386 2.135 15.652 216 2HG ARG 30 1HG ARG 30 1.097 3.013 15.275 217 1HD ARG 30 2HD ARG 30 -0.197 5.131 15.391 218 2HD ARG 30 1HD ARG 30 -1.601 4.200 15.911 219 HE ARG 30 HE ARG 30 -0.676 4.026 18.000 220 1HH1 ARG 30 1HH1 ARG 30 1.768 5.119 15.761 221 2HH1 ARG 30 2HH1 ARG 30 2.928 5.462 17.001 222 1HH2 ARG 30 1HH2 ARG 30 0.849 4.477 19.631 223 2HH2 ARG 30 2HH2 ARG 30 2.407 5.097 19.197 224 H SER 31 H SER 31 1.083 -0.160 14.287 225 HA SER 31 HA SER 31 -0.884 -2.100 13.888 226 1HB SER 31 2HB SER 31 1.175 -2.943 14.601 227 2HB SER 31 1HB SER 31 1.315 -1.764 15.906 228 HG SER 31 HG SER 31 0.756 -3.925 16.592 229 H THR 32 H THR 32 -2.277 -3.072 15.546 230 HA THR 32 HA THR 32 -4.108 -1.247 16.586 231 HB THR 32 HB THR 32 -3.594 -4.156 16.712 232 HG1 THR 32 HG1 THR 32 -5.776 -4.175 16.028 233 1HG2 THR 32 1HG2 THR 32 -5.494 -4.531 18.230 234 2HG2 THR 32 2HG2 THR 32 -5.447 -2.817 18.644 235 3HG2 THR 32 3HG2 THR 32 -4.067 -3.850 19.009 236 H ASP 33 H ASP 33 -1.317 -2.808 17.902 237 HA ASP 33 HA ASP 33 -1.805 -2.192 20.631 238 1HB ASP 33 2HB ASP 33 0.746 -2.921 19.191 239 2HB ASP 33 1HB ASP 33 0.608 -2.771 20.940 240 H GLY 34 H GLY 34 -0.211 -0.563 18.009 241 1HA GLY 34 2HA GLY 34 0.220 1.715 17.816 242 2HA GLY 34 1HA GLY 34 -0.211 1.913 19.509 243 H ASP 35 H ASP 35 2.060 -0.520 18.573 244 HA ASP 35 HA ASP 35 4.212 1.089 19.764 245 1HB ASP 35 2HB ASP 35 3.814 -1.905 19.739 246 2HB ASP 35 1HB ASP 35 5.276 -1.113 20.317 247 H LYS 36 H LYS 36 3.174 -0.568 16.954 248 HA LYS 36 HA LYS 36 5.825 -0.151 15.743 249 1HB LYS 36 2HB LYS 36 4.183 -2.557 15.849 250 2HB LYS 36 1HB LYS 36 4.604 -2.112 14.202 251 1HG LYS 36 2HG LYS 36 6.318 -3.535 14.851 252 2HG LYS 36 1HG LYS 36 7.007 -1.925 15.072 253 1HD LYS 36 2HD LYS 36 6.544 -2.022 17.450 254 2HD LYS 36 1HD LYS 36 5.755 -3.588 17.257 255 1HE LYS 36 2HE LYS 36 8.162 -4.086 16.121 256 2HE LYS 36 1HE LYS 36 8.615 -2.903 17.347 257 1HZ LYS 36 1HZ LYS 36 8.418 -5.505 17.828 258 2HZ LYS 36 2HZ LYS 36 6.841 -5.033 18.220 259 3HZ LYS 36 3HZ LYS 36 8.157 -4.327 19.013 260 H VAL 37 H VAL 37 5.836 1.182 14.062 261 HA VAL 37 HA VAL 37 3.311 1.635 12.612 262 HB VAL 37 HB VAL 37 5.390 3.755 13.160 263 1HG1 VAL 37 1HG1 VAL 37 2.644 3.822 11.926 264 2HG1 VAL 37 2HG1 VAL 37 4.181 4.237 11.166 265 3HG1 VAL 37 3HG1 VAL 37 3.520 5.265 12.438 266 1HG2 VAL 37 1HG2 VAL 37 3.011 2.889 14.708 267 2HG2 VAL 37 2HG2 VAL 37 3.303 4.622 14.561 268 3HG2 VAL 37 3HG2 VAL 37 4.538 3.576 15.264 269 H HIS 38 H HIS 38 3.444 1.151 10.535 270 HA HIS 38 HA HIS 38 6.103 1.130 9.265 271 1HB HIS 38 2HB HIS 38 5.027 -1.052 9.278 272 2HB HIS 38 1HB HIS 38 3.607 -0.374 8.497 273 HD1 HIS 38 HD1 HIS 38 6.504 -2.249 7.708 274 HD2 HIS 38 HD2 HIS 38 4.445 0.841 5.842 275 HE1 HIS 38 HE1 HIS 38 7.194 -2.344 5.291 276 HE2 HIS 38 HE2 HIS 38 5.874 -0.516 4.167 277 H THR 39 H THR 39 6.447 2.118 7.359 278 HA THR 39 HA THR 39 4.306 3.910 6.413 279 HB THR 39 HB THR 39 7.259 4.371 6.026 280 HG1 THR 39 HG1 THR 39 5.586 5.143 8.167 281 1HG2 THR 39 1HG2 THR 39 6.586 6.722 5.821 282 2HG2 THR 39 2HG2 THR 39 4.896 6.229 5.937 283 3HG2 THR 39 3HG2 THR 39 5.878 5.701 4.570 284 H VAL 40 H VAL 40 3.705 3.824 4.328 285 HA VAL 40 HA VAL 40 5.207 2.003 2.561 286 HB VAL 40 HB VAL 40 2.274 2.688 2.367 287 1HG1 VAL 40 1HG1 VAL 40 2.116 1.015 0.729 288 2HG1 VAL 40 2HG1 VAL 40 3.713 0.370 1.113 289 3HG1 VAL 40 3HG1 VAL 40 3.563 1.932 0.308 290 1HG2 VAL 40 1HG2 VAL 40 3.385 0.082 3.359 291 2HG2 VAL 40 2HG2 VAL 40 1.733 0.690 3.466 292 3HG2 VAL 40 3HG2 VAL 40 3.003 1.411 4.454 293 H VAL 41 H VAL 41 5.695 2.632 0.499 294 HA VAL 41 HA VAL 41 5.454 5.484 -0.058 295 HB VAL 41 HB VAL 41 6.945 3.415 -1.674 296 1HG1 VAL 41 1HG1 VAL 41 7.035 5.169 -3.075 297 2HG1 VAL 41 2HG1 VAL 41 8.262 5.774 -1.962 298 3HG1 VAL 41 3HG1 VAL 41 6.592 6.325 -1.818 299 1HG2 VAL 41 1HG2 VAL 41 7.770 3.407 0.625 300 2HG2 VAL 41 2HG2 VAL 41 7.983 5.156 0.562 301 3HG2 VAL 41 3HG2 VAL 41 8.957 4.111 -0.472 302 H LEU 42 H LEU 42 3.949 6.267 -1.373 303 HA LEU 42 HA LEU 42 2.297 4.442 -2.907 304 1HB LEU 42 2HB LEU 42 2.014 7.431 -2.693 305 2HB LEU 42 1HB LEU 42 0.793 6.276 -3.189 306 HG LEU 42 HG LEU 42 1.901 6.677 -0.415 307 1HD1 LEU 42 1HD1 LEU 42 -0.088 8.020 -1.661 308 2HD1 LEU 42 2HD1 LEU 42 -0.012 7.742 0.079 309 3HD1 LEU 42 3HD1 LEU 42 -0.988 6.685 -0.940 310 1HD2 LEU 42 1HD2 LEU 42 0.546 4.361 -1.630 311 2HD2 LEU 42 2HD2 LEU 42 -0.108 4.908 -0.086 312 3HD2 LEU 42 3HD2 LEU 42 1.591 4.453 -0.212 313 H SER 43 H SER 43 5.039 6.327 -3.488 314 HA SER 43 HA SER 43 4.441 7.021 -6.215 315 1HB SER 43 2HB SER 43 6.185 8.040 -4.427 316 2HB SER 43 1HB SER 43 7.263 6.953 -5.302 317 HG SER 43 HG SER 43 7.354 8.555 -6.666 318 H THR 44 H THR 44 5.928 4.374 -4.522 319 HA THR 44 HA THR 44 7.109 3.247 -6.897 320 HB THR 44 HB THR 44 8.176 2.949 -4.699 321 HG1 THR 44 HG1 THR 44 8.619 0.782 -4.966 322 1HG2 THR 44 1HG2 THR 44 6.102 2.750 -3.353 323 2HG2 THR 44 2HG2 THR 44 7.302 1.499 -3.025 324 3HG2 THR 44 3HG2 THR 44 5.888 1.128 -4.012 325 H ILE 45 H ILE 45 4.059 3.169 -5.371 326 HA ILE 45 HA ILE 45 3.208 0.579 -6.144 327 HB ILE 45 HB ILE 45 1.450 2.990 -5.707 328 1HG1 ILE 45 2HG1 ILE 45 2.909 2.766 -3.789 329 2HG1 ILE 45 1HG1 ILE 45 1.302 2.197 -3.352 330 1HG2 ILE 45 1HG2 ILE 45 0.906 0.042 -5.383 331 2HG2 ILE 45 2HG2 ILE 45 0.353 1.049 -6.721 332 3HG2 ILE 45 3HG2 ILE 45 -0.238 1.351 -5.087 333 1HD1 ILE 45 1HD1 ILE 45 2.158 -0.135 -3.850 334 2HD1 ILE 45 2HD1 ILE 45 2.799 0.662 -2.413 335 3HD1 ILE 45 3HD1 ILE 45 3.769 0.580 -3.884 336 H ASP 46 H ASP 46 3.651 0.189 -8.292 337 HA ASP 46 HA ASP 46 3.090 1.938 -10.418 338 1HB ASP 46 2HB ASP 46 4.601 -0.055 -10.535 339 2HB ASP 46 1HB ASP 46 3.172 -1.084 -10.528 340 H LYS 47 H LYS 47 1.113 -0.340 -8.669 341 HA LYS 47 HA LYS 47 -1.283 0.766 -9.765 342 1HB LYS 47 2HB LYS 47 -0.165 -1.651 -10.953 343 2HB LYS 47 1HB LYS 47 -1.795 -1.902 -10.342 344 1HG LYS 47 2HG LYS 47 -2.668 -0.180 -11.724 345 2HG LYS 47 1HG LYS 47 -1.050 0.358 -12.179 346 1HD LYS 47 2HD LYS 47 -2.074 -0.945 -13.970 347 2HD LYS 47 1HD LYS 47 -0.662 -1.774 -13.315 348 1HE LYS 47 2HE LYS 47 -2.375 -3.404 -13.610 349 2HE LYS 47 1HE LYS 47 -2.218 -3.107 -11.879 350 1HZ LYS 47 1HZ LYS 47 -4.446 -2.936 -12.035 351 2HZ LYS 47 2HZ LYS 47 -4.429 -2.509 -13.672 352 3HZ LYS 47 3HZ LYS 47 -4.098 -1.344 -12.491 353 H LEU 48 H LEU 48 -3.187 0.005 -8.691 354 HA LEU 48 HA LEU 48 -2.596 -1.412 -6.176 355 1HB LEU 48 2HB LEU 48 -4.392 -0.152 -5.142 356 2HB LEU 48 1HB LEU 48 -3.198 0.931 -5.832 357 HG LEU 48 HG LEU 48 -5.057 0.639 -7.869 358 1HD1 LEU 48 1HD1 LEU 48 -6.427 -0.404 -5.874 359 2HD1 LEU 48 2HD1 LEU 48 -7.188 0.663 -7.054 360 3HD1 LEU 48 3HD1 LEU 48 -6.699 1.294 -5.481 361 1HD2 LEU 48 1HD2 LEU 48 -3.793 2.659 -6.747 362 2HD2 LEU 48 2HD2 LEU 48 -5.335 2.868 -5.919 363 3HD2 LEU 48 3HD2 LEU 48 -5.269 2.907 -7.681 364 H GLN 49 H GLN 49 -3.403 -3.394 -6.128 365 HA GLN 49 HA GLN 49 -5.788 -4.003 -7.730 366 1HB GLN 49 2HB GLN 49 -3.714 -5.337 -8.124 367 2HB GLN 49 1HB GLN 49 -3.823 -5.926 -6.470 368 1HG GLN 49 2HG GLN 49 -4.752 -7.628 -7.749 369 2HG GLN 49 1HG GLN 49 -6.146 -6.762 -7.105 370 1HE2 GLN 49 1HE2 GLN 49 -4.277 -7.494 -9.932 371 2HE2 GLN 49 2HE2 GLN 49 -5.408 -6.891 -11.089 372 H ALA 50 H ALA 50 -7.564 -5.047 -6.843 373 HA ALA 50 HA ALA 50 -7.598 -5.414 -3.933 374 1HB ALA 50 1HB ALA 50 -8.549 -3.147 -4.720 375 2HB ALA 50 2HB ALA 50 -9.488 -4.109 -3.581 376 3HB ALA 50 3HB ALA 50 -9.921 -4.097 -5.291 377 H THR 51 H THR 51 -9.276 -6.822 -3.169 378 HA THR 51 HA THR 51 -9.742 -9.027 -4.904 379 HB THR 51 HB THR 51 -10.908 -10.029 -3.025 380 HG1 THR 51 HG1 THR 51 -10.695 -7.518 -1.733 381 1HG2 THR 51 1HG2 THR 51 -9.054 -8.887 -1.235 382 2HG2 THR 51 2HG2 THR 51 -8.275 -8.990 -2.814 383 3HG2 THR 51 3HG2 THR 51 -8.962 -10.435 -2.072 384 HA PRO 52 HA PRO 52 -13.592 -7.910 -6.743 385 1HB PRO 52 2HB PRO 52 -14.730 -10.356 -7.076 386 2HB PRO 52 1HB PRO 52 -13.391 -9.773 -8.070 387 1HG PRO 52 2HG PRO 52 -13.336 -11.610 -5.707 388 2HG PRO 52 1HG PRO 52 -12.460 -11.738 -7.243 389 1HD PRO 52 2HD PRO 52 -11.297 -10.814 -4.983 390 2HD PRO 52 1HD PRO 52 -10.850 -10.217 -6.595 391 H ALA 53 H ALA 53 -15.973 -8.158 -6.488 392 HA ALA 53 HA ALA 53 -16.695 -7.869 -3.734 393 1HB ALA 53 1HB ALA 53 -18.024 -7.501 -6.344 394 2HB ALA 53 2HB ALA 53 -17.989 -6.453 -4.926 395 3HB ALA 53 3HB ALA 53 -19.072 -7.844 -4.968 396 H SER 54 H SER 54 -16.297 -10.579 -5.635 397 HA SER 54 HA SER 54 -18.495 -12.094 -4.485 398 1HB SER 54 2HB SER 54 -17.710 -12.369 -6.882 399 2HB SER 54 1HB SER 54 -16.268 -13.147 -6.231 400 HG SER 54 HG SER 54 -17.401 -14.893 -6.059 401 H SER 55 H SER 55 -15.557 -11.141 -3.373 402 HA SER 55 HA SER 55 -15.053 -13.649 -1.930 403 1HB SER 55 2HB SER 55 -13.274 -12.100 -3.313 404 2HB SER 55 1HB SER 55 -13.075 -11.481 -1.673 405 HG SER 55 HG SER 55 -11.842 -13.478 -2.497 406 H GLU 56 H GLU 56 -15.981 -13.717 -0.009 407 HA GLU 56 HA GLU 56 -17.017 -11.542 1.396 408 1HB GLU 56 2HB GLU 56 -17.647 -13.925 1.754 409 2HB GLU 56 1HB GLU 56 -16.099 -14.179 2.552 410 1HG GLU 56 2HG GLU 56 -16.732 -12.494 4.240 411 2HG GLU 56 1HG GLU 56 -18.309 -12.352 3.466 412 H LYS 57 H LYS 57 -13.795 -12.634 1.097 413 HA LYS 57 HA LYS 57 -12.916 -11.300 3.538 414 1HB LYS 57 2HB LYS 57 -11.408 -12.887 1.457 415 2HB LYS 57 1HB LYS 57 -10.658 -12.147 2.864 416 1HG LYS 57 2HG LYS 57 -12.079 -13.524 4.322 417 2HG LYS 57 1HG LYS 57 -12.769 -14.294 2.893 418 1HD LYS 57 2HD LYS 57 -11.070 -15.743 3.722 419 2HD LYS 57 1HD LYS 57 -10.439 -14.983 2.259 420 1HE LYS 57 2HE LYS 57 -9.039 -13.547 3.478 421 2HE LYS 57 1HE LYS 57 -9.898 -13.853 4.987 422 1HZ LYS 57 1HZ LYS 57 -8.167 -15.225 5.335 423 2HZ LYS 57 2HZ LYS 57 -7.818 -15.410 3.691 424 3HZ LYS 57 3HZ LYS 57 -9.067 -16.305 4.395 425 H MET 58 H MET 58 -11.884 -9.385 3.609 426 HA MET 58 HA MET 58 -11.670 -7.899 1.092 427 1HB MET 58 2HB MET 58 -11.689 -6.970 3.967 428 2HB MET 58 1HB MET 58 -11.477 -5.902 2.588 429 1HG MET 58 2HG MET 58 -13.666 -5.710 2.403 430 2HG MET 58 1HG MET 58 -13.790 -7.443 2.101 431 1HE MET 58 1HE MET 58 -16.531 -7.684 4.107 432 2HE MET 58 2HE MET 58 -15.417 -8.999 4.477 433 3HE MET 58 3HE MET 58 -15.467 -8.319 2.851 434 H MET 59 H MET 59 -9.750 -7.683 0.171 435 HA MET 59 HA MET 59 -7.380 -7.244 1.789 436 1HB MET 59 2HB MET 59 -7.504 -9.699 1.584 437 2HB MET 59 1HB MET 59 -7.542 -9.546 -0.167 438 1HG MET 59 2HG MET 59 -5.305 -8.320 0.093 439 2HG MET 59 1HG MET 59 -5.281 -9.009 1.716 440 1HE MET 59 1HE MET 59 -6.204 -12.548 0.910 441 2HE MET 59 2HE MET 59 -5.982 -11.294 2.130 442 3HE MET 59 3HE MET 59 -4.638 -12.353 1.698 443 H LEU 60 H LEU 60 -6.084 -5.783 0.849 444 HA LEU 60 HA LEU 60 -6.488 -5.241 -2.021 445 1HB LEU 60 2HB LEU 60 -7.239 -3.432 -0.502 446 2HB LEU 60 1HB LEU 60 -5.608 -3.317 0.132 447 HG LEU 60 HG LEU 60 -4.861 -2.770 -2.233 448 1HD1 LEU 60 1HD1 LEU 60 -7.105 -3.633 -3.159 449 2HD1 LEU 60 2HD1 LEU 60 -6.400 -2.181 -3.868 450 3HD1 LEU 60 3HD1 LEU 60 -7.724 -2.044 -2.712 451 1HD2 LEU 60 1HD2 LEU 60 -4.783 -0.925 -0.897 452 2HD2 LEU 60 2HD2 LEU 60 -6.480 -1.049 -0.435 453 3HD2 LEU 60 3HD2 LEU 60 -6.043 -0.412 -2.020 454 H ARG 61 H ARG 61 -4.812 -5.648 -3.293 455 HA ARG 61 HA ARG 61 -2.152 -5.914 -2.072 456 1HB ARG 61 2HB ARG 61 -3.098 -7.904 -3.235 457 2HB ARG 61 1HB ARG 61 -3.118 -6.978 -4.730 458 1HG ARG 61 2HG ARG 61 -0.692 -6.755 -4.638 459 2HG ARG 61 1HG ARG 61 -0.663 -7.665 -3.126 460 1HD ARG 61 2HD ARG 61 -1.779 -9.548 -4.380 461 2HD ARG 61 1HD ARG 61 -1.460 -8.642 -5.859 462 HE ARG 61 HE ARG 61 0.941 -8.875 -4.460 463 1HH1 ARG 61 1HH1 ARG 61 -1.349 -10.928 -6.107 464 2HH1 ARG 61 2HH1 ARG 61 -0.164 -12.111 -6.548 465 1HH2 ARG 61 1HH2 ARG 61 2.503 -10.429 -5.038 466 2HH2 ARG 61 2HH2 ARG 61 2.024 -11.828 -5.940 467 H LEU 62 H LEU 62 -0.557 -4.571 -2.597 468 HA LEU 62 HA LEU 62 -1.042 -2.654 -4.779 469 1HB LEU 62 2HB LEU 62 -0.058 -2.372 -2.064 470 2HB LEU 62 1HB LEU 62 1.062 -1.686 -3.226 471 HG LEU 62 HG LEU 62 -0.808 -0.330 -4.158 472 1HD1 LEU 62 1HD1 LEU 62 -2.297 -1.866 -2.124 473 2HD1 LEU 62 2HD1 LEU 62 -2.828 -1.220 -3.677 474 3HD1 LEU 62 3HD1 LEU 62 -2.702 -0.157 -2.276 475 1HD2 LEU 62 1HD2 LEU 62 -0.792 0.375 -1.294 476 2HD2 LEU 62 2HD2 LEU 62 -0.381 1.348 -2.707 477 3HD2 LEU 62 3HD2 LEU 62 0.787 0.197 -2.058 478 H ILE 63 H ILE 63 0.290 -2.596 -6.462 479 HA ILE 63 HA ILE 63 2.573 -4.425 -6.480 480 HB ILE 63 HB ILE 63 1.444 -2.927 -8.839 481 1HG1 ILE 63 2HG1 ILE 63 -0.361 -4.244 -7.886 482 2HG1 ILE 63 1HG1 ILE 63 0.207 -5.013 -9.365 483 1HG2 ILE 63 1HG2 ILE 63 3.777 -4.251 -8.647 484 2HG2 ILE 63 2HG2 ILE 63 2.838 -4.139 -10.136 485 3HG2 ILE 63 3HG2 ILE 63 2.710 -5.574 -9.120 486 1HD1 ILE 63 1HD1 ILE 63 1.664 -6.073 -7.163 487 2HD1 ILE 63 2HD1 ILE 63 0.563 -6.894 -8.268 488 3HD1 ILE 63 3HD1 ILE 63 -0.060 -6.139 -6.801 489 H GLY 64 H GLY 64 4.590 -3.698 -6.292 490 1HA GLY 64 2HA GLY 64 5.092 -0.843 -6.270 491 2HA GLY 64 1HA GLY 64 6.240 -2.110 -5.863 492 H LYS 65 H LYS 65 7.341 -0.215 -7.253 493 HA LYS 65 HA LYS 65 7.047 -0.435 -10.080 494 1HB LYS 65 2HB LYS 65 8.794 1.033 -8.204 495 2HB LYS 65 1HB LYS 65 9.497 0.692 -9.780 496 1HG LYS 65 2HG LYS 65 7.601 1.777 -10.866 497 2HG LYS 65 1HG LYS 65 6.892 2.117 -9.285 498 1HD LYS 65 2HD LYS 65 8.940 3.417 -8.720 499 2HD LYS 65 1HD LYS 65 9.497 3.175 -10.378 500 1HE LYS 65 2HE LYS 65 7.007 4.132 -10.819 501 2HE LYS 65 1HE LYS 65 7.409 4.961 -9.316 502 1HZ LYS 65 1HZ LYS 65 9.002 6.187 -10.312 503 2HZ LYS 65 2HZ LYS 65 8.068 5.900 -11.693 504 3HZ LYS 65 3HZ LYS 65 9.446 4.966 -11.396 505 H VAL 66 H VAL 66 9.019 -0.927 -11.469 506 HA VAL 66 HA VAL 66 10.404 -3.320 -10.448 507 HB VAL 66 HB VAL 66 9.501 -2.989 -13.305 508 1HG1 VAL 66 1HG1 VAL 66 10.577 -4.895 -13.717 509 2HG1 VAL 66 2HG1 VAL 66 9.885 -5.679 -12.296 510 3HG1 VAL 66 3HG1 VAL 66 11.344 -4.701 -12.141 511 1HG2 VAL 66 1HG2 VAL 66 7.432 -3.231 -12.396 512 2HG2 VAL 66 2HG2 VAL 66 8.042 -4.010 -10.936 513 3HG2 VAL 66 3HG2 VAL 66 7.896 -4.931 -12.433 514 H ASP 67 H ASP 67 11.255 -0.488 -10.647 515 HA ASP 67 HA ASP 67 13.336 -0.640 -12.703 516 1HB ASP 67 2HB ASP 67 12.387 1.656 -10.977 517 2HB ASP 67 1HB ASP 67 13.725 1.766 -12.115 518 H GLU 68 H GLU 68 15.304 -1.297 -12.174 519 HA GLU 68 HA GLU 68 16.208 -0.936 -9.392 520 1HB GLU 68 2HB GLU 68 16.797 -3.239 -11.262 521 2HB GLU 68 1HB GLU 68 17.539 -3.015 -9.684 522 1HG GLU 68 2HG GLU 68 15.324 -3.172 -8.638 523 2HG GLU 68 1HG GLU 68 14.610 -3.449 -10.226 524 H SER 69 H SER 69 16.610 0.965 -11.426 525 HA SER 69 HA SER 69 19.390 0.630 -12.252 526 1HB SER 69 2HB SER 69 17.123 2.325 -13.134 527 2HB SER 69 1HB SER 69 18.729 3.043 -13.254 528 HG SER 69 HG SER 69 18.885 1.929 -15.022 529 H LYS 70 H LYS 70 17.466 2.293 -9.937 530 HA LYS 70 HA LYS 70 19.235 4.425 -9.348 531 1HB LYS 70 2HB LYS 70 17.928 4.708 -7.313 532 2HB LYS 70 1HB LYS 70 16.865 4.428 -8.686 533 1HG LYS 70 2HG LYS 70 16.690 2.051 -8.001 534 2HG LYS 70 1HG LYS 70 17.637 2.439 -6.564 535 1HD LYS 70 2HD LYS 70 15.890 4.171 -6.019 536 2HD LYS 70 1HD LYS 70 14.916 3.488 -7.323 537 1HE LYS 70 2HE LYS 70 14.992 1.299 -6.194 538 2HE LYS 70 1HE LYS 70 15.908 2.028 -4.875 539 1HZ LYS 70 1HZ LYS 70 14.089 3.186 -4.132 540 2HZ LYS 70 2HZ LYS 70 13.347 1.773 -4.693 541 3HZ LYS 70 3HZ LYS 70 13.311 3.176 -5.634 542 H LYS 71 H LYS 71 18.865 1.158 -8.055 543 HA LYS 71 HA LYS 71 21.095 1.576 -6.221 544 1HB LYS 71 2HB LYS 71 18.866 -0.322 -6.435 545 2HB LYS 71 1HB LYS 71 20.389 -1.066 -5.970 546 1HG LYS 71 2HG LYS 71 19.303 -0.512 -3.964 547 2HG LYS 71 1HG LYS 71 20.562 0.708 -4.179 548 1HD LYS 71 2HD LYS 71 18.918 2.279 -5.041 549 2HD LYS 71 1HD LYS 71 17.654 1.056 -4.909 550 1HE LYS 71 2HE LYS 71 18.269 0.961 -2.426 551 2HE LYS 71 1HE LYS 71 19.139 2.467 -2.714 552 1HZ LYS 71 1HZ LYS 71 16.238 1.951 -2.907 553 2HZ LYS 71 2HZ LYS 71 16.940 3.272 -3.695 554 3HZ LYS 71 3HZ LYS 71 17.046 3.139 -2.012 555 H ARG 72 H ARG 72 23.029 0.456 -6.318 556 HA ARG 72 HA ARG 72 23.610 -0.779 -8.923 557 1HB ARG 72 2HB ARG 72 25.935 -0.178 -8.549 558 2HB ARG 72 1HB ARG 72 24.914 1.243 -8.387 559 1HG ARG 72 2HG ARG 72 24.982 0.885 -5.903 560 2HG ARG 72 1HG ARG 72 26.210 -0.349 -6.191 561 1HD ARG 72 2HD ARG 72 27.580 1.362 -7.355 562 2HD ARG 72 1HD ARG 72 26.379 2.573 -6.917 563 HE ARG 72 HE ARG 72 27.220 1.244 -4.594 564 1HH1 ARG 72 1HH1 ARG 72 28.438 3.472 -6.988 565 2HH1 ARG 72 2HH1 ARG 72 29.556 4.226 -5.901 566 1HH2 ARG 72 1HH2 ARG 72 28.691 2.233 -3.162 567 2HH2 ARG 72 2HH2 ARG 72 29.700 3.522 -3.729 568 H LYS 73 H LYS 73 24.001 -2.886 -8.997 569 HA LYS 73 HA LYS 73 24.125 -4.424 -6.564 570 1HB LYS 73 2HB LYS 73 23.148 -4.929 -9.065 571 2HB LYS 73 1HB LYS 73 24.669 -5.809 -9.104 572 1HG LYS 73 2HG LYS 73 24.013 -7.012 -7.070 573 2HG LYS 73 1HG LYS 73 22.473 -6.149 -7.073 574 1HD LYS 73 2HD LYS 73 22.086 -7.089 -9.382 575 2HD LYS 73 1HD LYS 73 23.496 -8.115 -9.113 576 1HE LYS 73 2HE LYS 73 22.393 -9.473 -7.693 577 2HE LYS 73 1HE LYS 73 21.499 -8.145 -6.956 578 1HZ LYS 73 1HZ LYS 73 20.771 -8.792 -9.691 579 2HZ LYS 73 2HZ LYS 73 19.788 -8.399 -8.373 580 3HZ LYS 73 3HZ LYS 73 20.389 -9.970 -8.539 581 H ASP 74 H ASP 74 25.779 -6.281 -6.501 582 HA ASP 74 HA ASP 74 28.431 -5.110 -6.964 583 1HB ASP 74 2HB ASP 74 27.518 -7.214 -4.997 584 2HB ASP 74 1HB ASP 74 29.198 -6.741 -5.223 585 H ASN 75 H ASN 75 26.380 -7.749 -7.778 586 HA ASN 75 HA ASN 75 26.579 -9.343 -9.402 587 1HB ASN 75 2HB ASN 75 28.103 -7.570 -10.489 588 2HB ASN 75 1HB ASN 75 29.438 -8.536 -9.870 589 1HD2 ASN 75 1HD2 ASN 75 30.019 -8.795 -12.105 590 2HD2 ASN 75 2HD2 ASN 75 29.239 -10.005 -13.059 591 H GLU 76 H GLU 76 28.195 -9.234 -6.563 592 HA GLU 76 HA GLU 76 29.615 -11.761 -6.929 593 1HB GLU 76 2HB GLU 76 29.542 -9.853 -4.586 594 2HB GLU 76 1HB GLU 76 30.486 -11.335 -4.643 595 1HG GLU 76 2HG GLU 76 31.726 -10.440 -6.571 596 2HG GLU 76 1HG GLU 76 30.812 -8.939 -6.434 597 H GLY 77 H GLY 77 26.811 -11.871 -7.088 598 1HA GLY 77 2HA GLY 77 25.186 -13.340 -6.358 599 2HA GLY 77 1HA GLY 77 26.296 -13.880 -5.109 600 H ASN 78 H ASN 78 25.469 -10.514 -5.473 601 HA ASN 78 HA ASN 78 24.112 -10.631 -2.874 602 1HB ASN 78 2HB ASN 78 25.377 -8.317 -4.355 603 2HB ASN 78 1HB ASN 78 24.516 -8.161 -2.827 604 1HD2 ASN 78 1HD2 ASN 78 27.105 -7.345 -3.047 605 2HD2 ASN 78 2HD2 ASN 78 28.132 -8.397 -2.138 606 H GLU 79 H GLU 79 21.974 -10.588 -2.880 607 HA GLU 79 HA GLU 79 20.593 -8.953 -4.893 608 1HB GLU 79 2HB GLU 79 19.794 -11.740 -4.033 609 2HB GLU 79 1HB GLU 79 18.850 -10.693 -5.085 610 1HG GLU 79 2HG GLU 79 20.703 -10.705 -6.710 611 2HG GLU 79 1HG GLU 79 21.575 -11.829 -5.668 612 H VAL 80 H VAL 80 19.500 -7.422 -3.868 613 HA VAL 80 HA VAL 80 18.675 -7.811 -1.104 614 HB VAL 80 HB VAL 80 17.984 -5.403 -1.247 615 1HG1 VAL 80 1HG1 VAL 80 20.095 -4.677 -0.767 616 2HG1 VAL 80 2HG1 VAL 80 20.818 -5.522 -2.136 617 3HG1 VAL 80 3HG1 VAL 80 20.359 -6.419 -0.688 618 1HG2 VAL 80 1HG2 VAL 80 17.645 -5.449 -3.735 619 2HG2 VAL 80 2HG2 VAL 80 19.400 -5.429 -3.905 620 3HG2 VAL 80 3HG2 VAL 80 18.574 -4.076 -3.135 621 H VAL 81 H VAL 81 17.257 -7.385 -4.292 622 HA VAL 81 HA VAL 81 14.858 -8.670 -3.632 623 HB VAL 81 HB VAL 81 14.384 -6.660 -2.313 624 1HG1 VAL 81 1HG1 VAL 81 14.665 -4.548 -3.024 625 2HG1 VAL 81 2HG1 VAL 81 14.044 -4.900 -4.637 626 3HG1 VAL 81 3HG1 VAL 81 15.718 -5.282 -4.233 627 1HG2 VAL 81 1HG2 VAL 81 12.611 -7.936 -3.639 628 2HG2 VAL 81 2HG2 VAL 81 12.628 -6.565 -4.747 629 3HG2 VAL 81 3HG2 VAL 81 12.186 -6.328 -3.057 630 HA PRO 82 HA PRO 82 15.829 -7.844 -8.140 631 1HB PRO 82 2HB PRO 82 16.310 -10.395 -8.872 632 2HB PRO 82 1HB PRO 82 17.566 -9.360 -8.181 633 1HG PRO 82 2HG PRO 82 15.910 -11.473 -6.855 634 2HG PRO 82 1HG PRO 82 17.645 -11.147 -6.694 635 1HD PRO 82 2HD PRO 82 15.801 -10.317 -4.872 636 2HD PRO 82 1HD PRO 82 17.315 -9.445 -5.187 637 H LYS 83 H LYS 83 13.336 -7.620 -7.323 638 HA LYS 83 HA LYS 83 11.789 -8.795 -9.340 639 1HB LYS 83 2HB LYS 83 11.968 -10.308 -6.818 640 2HB LYS 83 1HB LYS 83 10.328 -10.019 -7.385 641 1HG LYS 83 2HG LYS 83 11.507 -10.846 -9.672 642 2HG LYS 83 1HG LYS 83 12.429 -11.756 -8.475 643 1HD LYS 83 2HD LYS 83 10.030 -12.253 -7.502 644 2HD LYS 83 1HD LYS 83 9.533 -11.898 -9.158 645 1HE LYS 83 2HE LYS 83 9.877 -14.216 -9.123 646 2HE LYS 83 1HE LYS 83 11.331 -13.559 -9.875 647 1HZ LYS 83 1HZ LYS 83 11.102 -14.308 -7.010 648 2HZ LYS 83 2HZ LYS 83 12.500 -13.784 -7.802 649 3HZ LYS 83 3HZ LYS 83 11.809 -15.273 -8.207 650 HA PRO 84 HA PRO 84 9.095 -5.447 -8.401 651 1HB PRO 84 2HB PRO 84 6.844 -7.382 -8.677 652 2HB PRO 84 1HB PRO 84 7.102 -5.831 -9.485 653 1HG PRO 84 2HG PRO 84 7.497 -8.117 -10.787 654 2HG PRO 84 1HG PRO 84 8.575 -6.730 -11.035 655 1HD PRO 84 2HD PRO 84 9.031 -9.232 -9.472 656 2HD PRO 84 1HD PRO 84 10.175 -8.279 -10.441 657 H GLN 85 H GLN 85 8.699 -4.618 -6.455 658 HA GLN 85 HA GLN 85 8.165 -6.351 -4.203 659 1HB GLN 85 2HB GLN 85 8.410 -4.344 -2.848 660 2HB GLN 85 1HB GLN 85 9.737 -4.467 -3.994 661 1HG GLN 85 2HG GLN 85 8.461 -2.884 -5.474 662 2HG GLN 85 1HG GLN 85 7.356 -2.640 -4.122 663 1HE2 GLN 85 1HE2 GLN 85 10.294 -1.752 -5.544 664 2HE2 GLN 85 2HE2 GLN 85 10.872 -0.718 -4.287 665 H ARG 86 H ARG 86 6.181 -6.953 -3.670 666 HA ARG 86 HA ARG 86 3.955 -5.102 -4.219 667 1HB ARG 86 2HB ARG 86 3.921 -8.124 -4.228 668 2HB ARG 86 1HB ARG 86 2.512 -7.096 -4.451 669 1HG ARG 86 2HG ARG 86 3.546 -6.163 -6.482 670 2HG ARG 86 1HG ARG 86 4.907 -7.265 -6.268 671 1HD ARG 86 2HD ARG 86 3.287 -9.162 -6.366 672 2HD ARG 86 1HD ARG 86 2.027 -7.998 -6.772 673 HE ARG 86 HE ARG 86 2.866 -7.878 -8.902 674 1HH1 ARG 86 1HH1 ARG 86 5.210 -9.442 -6.842 675 2HH1 ARG 86 2HH1 ARG 86 6.239 -9.907 -8.154 676 1HH2 ARG 86 1HH2 ARG 86 4.218 -8.490 -10.630 677 2HH2 ARG 86 2HH2 ARG 86 5.677 -9.365 -10.305 678 H HIS 87 H HIS 87 2.518 -4.685 -2.613 679 HA HIS 87 HA HIS 87 3.084 -5.910 0.004 680 1HB HIS 87 2HB HIS 87 2.212 -3.149 -0.786 681 2HB HIS 87 1HB HIS 87 1.850 -3.764 0.823 682 HD1 HIS 87 HD1 HIS 87 3.579 -3.259 2.510 683 HD2 HIS 87 HD2 HIS 87 5.162 -3.374 -1.330 684 HE1 HIS 87 HE1 HIS 87 6.002 -2.635 2.764 685 HE2 HIS 87 HE2 HIS 87 6.960 -2.797 0.439 686 H MET 88 H MET 88 1.609 -7.334 0.626 687 HA MET 88 HA MET 88 -1.105 -7.157 -0.450 688 1HB MET 88 2HB MET 88 0.329 -9.358 1.046 689 2HB MET 88 1HB MET 88 -1.356 -9.446 0.548 690 1HG MET 88 2HG MET 88 -0.613 -9.149 -1.803 691 2HG MET 88 1HG MET 88 1.054 -9.241 -1.239 692 1HE MET 88 1HE MET 88 1.492 -12.804 -0.018 693 2HE MET 88 2HE MET 88 0.600 -11.787 1.115 694 3HE MET 88 3HE MET 88 1.934 -11.107 0.182 695 H PHE 89 H PHE 89 -2.485 -5.981 0.699 696 HA PHE 89 HA PHE 89 -2.241 -5.950 3.625 697 1HB PHE 89 2HB PHE 89 -3.543 -4.062 1.671 698 2HB PHE 89 1HB PHE 89 -3.858 -3.980 3.401 699 HD1 PHE 89 HD1 PHE 89 -1.749 -2.923 0.769 700 HD2 PHE 89 HD2 PHE 89 -1.800 -3.772 4.937 701 HE1 PHE 89 HE1 PHE 89 0.273 -1.556 1.065 702 HE2 PHE 89 HE2 PHE 89 0.224 -2.402 5.244 703 HZ PHE 89 HZ PHE 89 1.263 -1.293 3.306 704 H SER 90 H SER 90 -3.941 -6.461 4.956 705 HA SER 90 HA SER 90 -6.226 -7.789 3.646 706 1HB SER 90 2HB SER 90 -5.868 -8.506 6.440 707 2HB SER 90 1HB SER 90 -5.954 -9.547 5.021 708 HG SER 90 HG SER 90 -3.834 -9.592 4.904 709 H PHE 91 H PHE 91 -8.138 -6.840 3.891 710 HA PHE 91 HA PHE 91 -8.430 -4.804 5.971 711 1HB PHE 91 2HB PHE 91 -9.725 -5.281 3.320 712 2HB PHE 91 1HB PHE 91 -10.580 -4.344 4.542 713 HD1 PHE 91 HD1 PHE 91 -7.570 -4.496 2.445 714 HD2 PHE 91 HD2 PHE 91 -9.923 -2.149 5.096 715 HE1 PHE 91 HE1 PHE 91 -6.273 -2.507 1.813 716 HE2 PHE 91 HE2 PHE 91 -8.631 -0.141 4.471 717 HZ PHE 91 HZ PHE 91 -6.803 -0.320 2.826 718 H ASN 92 H ASN 92 -10.154 -4.743 7.361 719 HA ASN 92 HA ASN 92 -11.531 -7.306 7.732 720 1HB ASN 92 2HB ASN 92 -11.089 -5.014 9.660 721 2HB ASN 92 1HB ASN 92 -11.969 -6.492 10.038 722 1HD2 ASN 92 1HD2 ASN 92 -9.803 -5.692 11.518 723 2HD2 ASN 92 2HD2 ASN 92 -8.494 -6.790 11.264 724 H ASN 93 H ASN 93 -12.131 -4.643 6.070 725 HA ASN 93 HA ASN 93 -14.967 -4.932 6.303 726 1HB ASN 93 2HB ASN 93 -14.181 -3.289 8.163 727 2HB ASN 93 1HB ASN 93 -13.994 -2.149 6.833 728 1HD2 ASN 93 1HD2 ASN 93 -15.658 -0.856 6.647 729 2HD2 ASN 93 2HD2 ASN 93 -17.312 -1.265 6.929 730 H ARG 94 H ARG 94 -15.968 -4.473 4.443 731 HA ARG 94 HA ARG 94 -14.460 -3.906 2.127 732 1HB ARG 94 2HB ARG 94 -17.450 -3.820 2.573 733 2HB ARG 94 1HB ARG 94 -16.672 -3.750 0.999 734 1HG ARG 94 2HG ARG 94 -15.679 -5.978 1.447 735 2HG ARG 94 1HG ARG 94 -16.612 -6.045 2.943 736 1HD ARG 94 2HD ARG 94 -18.669 -5.666 1.511 737 2HD ARG 94 1HD ARG 94 -17.635 -5.971 0.115 738 HE ARG 94 HE ARG 94 -17.406 -8.060 2.017 739 1HH1 ARG 94 1HH1 ARG 94 -19.537 -6.794 -0.439 740 2HH1 ARG 94 2HH1 ARG 94 -20.263 -8.328 -0.777 741 1HH2 ARG 94 1HH2 ARG 94 -18.360 -10.080 1.575 742 2HH2 ARG 94 2HH2 ARG 94 -19.597 -10.195 0.366 743 H THR 95 H THR 95 -16.572 -1.913 4.158 744 HA THR 95 HA THR 95 -16.574 0.368 2.562 745 HB THR 95 HB THR 95 -16.646 0.673 5.496 746 HG1 THR 95 HG1 THR 95 -18.615 -0.422 5.651 747 1HG2 THR 95 1HG2 THR 95 -18.682 1.331 3.403 748 2HG2 THR 95 2HG2 THR 95 -17.420 2.433 3.950 749 3HG2 THR 95 3HG2 THR 95 -18.663 1.884 5.075 750 H VAL 96 H VAL 96 -14.425 -0.755 5.079 751 HA VAL 96 HA VAL 96 -12.825 1.593 5.140 752 HB VAL 96 HB VAL 96 -12.155 -1.184 6.115 753 1HG1 VAL 96 1HG1 VAL 96 -10.094 -0.158 6.038 754 2HG1 VAL 96 2HG1 VAL 96 -10.637 0.277 7.659 755 3HG1 VAL 96 3HG1 VAL 96 -10.761 1.445 6.343 756 1HG2 VAL 96 1HG2 VAL 96 -14.148 0.385 7.053 757 2HG2 VAL 96 2HG2 VAL 96 -12.797 0.944 8.040 758 3HG2 VAL 96 3HG2 VAL 96 -13.243 -0.761 8.040 759 H MET 97 H MET 97 -12.739 -1.440 3.435 760 HA MET 97 HA MET 97 -10.135 -1.014 2.314 761 1HB MET 97 2HB MET 97 -10.315 -3.110 1.454 762 2HB MET 97 1HB MET 97 -11.591 -3.235 2.653 763 1HG MET 97 2HG MET 97 -13.265 -2.796 0.969 764 2HG MET 97 1HG MET 97 -12.015 -2.544 -0.247 765 1HE MET 97 1HE MET 97 -10.162 -4.109 -0.485 766 2HE MET 97 2HE MET 97 -10.693 -5.554 -1.345 767 3HE MET 97 3HE MET 97 -10.066 -5.685 0.299 768 H ASP 98 H ASP 98 -13.430 -0.322 1.378 769 HA ASP 98 HA ASP 98 -12.758 0.396 -1.306 770 1HB ASP 98 2HB ASP 98 -15.009 -0.451 -0.659 771 2HB ASP 98 1HB ASP 98 -15.269 1.037 0.245 772 H ASN 99 H ASN 99 -12.978 1.998 1.750 773 HA ASN 99 HA ASN 99 -13.078 4.652 0.738 774 1HB ASN 99 2HB ASN 99 -12.395 3.508 3.437 775 2HB ASN 99 1HB ASN 99 -12.325 5.237 3.110 776 1HD2 ASN 99 1HD2 ASN 99 -13.976 4.199 5.042 777 2HD2 ASN 99 2HD2 ASN 99 -15.623 4.394 4.557 778 H ILE 100 H ILE 100 -10.556 2.416 1.544 779 HA ILE 100 HA ILE 100 -8.451 4.388 1.270 780 HB ILE 100 HB ILE 100 -8.262 1.392 1.614 781 1HG1 ILE 100 2HG1 ILE 100 -9.344 2.662 3.501 782 2HG1 ILE 100 1HG1 ILE 100 -7.876 1.797 3.943 783 1HG2 ILE 100 1HG2 ILE 100 -5.926 1.879 2.303 784 2HG2 ILE 100 2HG2 ILE 100 -6.162 3.545 1.776 785 3HG2 ILE 100 3HG2 ILE 100 -6.256 2.229 0.606 786 1HD1 ILE 100 1HD1 ILE 100 -6.627 3.780 4.067 787 2HD1 ILE 100 2HD1 ILE 100 -8.158 4.130 4.871 788 3HD1 ILE 100 3HD1 ILE 100 -7.869 4.711 3.231 789 H LYS 101 H LYS 101 -9.650 1.554 -0.488 790 HA LYS 101 HA LYS 101 -7.752 1.510 -2.532 791 1HB LYS 101 2HB LYS 101 -9.397 -0.288 -2.097 792 2HB LYS 101 1HB LYS 101 -10.672 0.751 -2.719 793 1HG LYS 101 2HG LYS 101 -9.614 0.768 -4.909 794 2HG LYS 101 1HG LYS 101 -8.300 -0.233 -4.292 795 1HD LYS 101 2HD LYS 101 -9.782 -1.702 -5.411 796 2HD LYS 101 1HD LYS 101 -10.058 -1.945 -3.686 797 1HE LYS 101 2HE LYS 101 -12.172 -1.848 -4.862 798 2HE LYS 101 1HE LYS 101 -12.003 -0.449 -3.804 799 1HZ LYS 101 1HZ LYS 101 -12.770 -0.239 -6.310 800 2HZ LYS 101 2HZ LYS 101 -11.099 -0.148 -6.561 801 3HZ LYS 101 3HZ LYS 101 -11.863 0.968 -5.545 802 H MET 102 H MET 102 -10.786 3.313 -2.265 803 HA MET 102 HA MET 102 -10.641 4.406 -4.889 804 1HB MET 102 2HB MET 102 -12.220 5.290 -2.473 805 2HB MET 102 1HB MET 102 -12.432 5.936 -4.094 806 1HG MET 102 2HG MET 102 -12.618 3.007 -3.819 807 2HG MET 102 1HG MET 102 -13.912 3.953 -3.085 808 1HE MET 102 1HE MET 102 -16.034 5.231 -5.427 809 2HE MET 102 2HE MET 102 -14.719 6.374 -5.696 810 3HE MET 102 3HE MET 102 -15.019 5.742 -4.077 811 H THR 103 H THR 103 -9.657 5.505 -1.720 812 HA THR 103 HA THR 103 -8.915 8.113 -2.572 813 HB THR 103 HB THR 103 -8.907 6.583 -0.091 814 HG1 THR 103 HG1 THR 103 -8.930 9.363 -0.632 815 1HG2 THR 103 1HG2 THR 103 -6.481 6.835 -0.228 816 2HG2 THR 103 2HG2 THR 103 -7.179 7.798 1.073 817 3HG2 THR 103 3HG2 THR 103 -6.681 8.575 -0.430 818 H LEU 104 H LEU 104 -7.268 5.040 -2.201 819 HA LEU 104 HA LEU 104 -4.643 6.022 -2.645 820 1HB LEU 104 2HB LEU 104 -5.923 3.312 -2.795 821 2HB LEU 104 1HB LEU 104 -4.273 3.543 -3.342 822 HG LEU 104 HG LEU 104 -5.285 4.114 -0.555 823 1HD1 LEU 104 1HD1 LEU 104 -4.267 2.139 0.145 824 2HD1 LEU 104 2HD1 LEU 104 -3.346 1.973 -1.349 825 3HD1 LEU 104 3HD1 LEU 104 -5.084 1.684 -1.351 826 1HD2 LEU 104 1HD2 LEU 104 -2.547 4.317 -1.793 827 2HD2 LEU 104 2HD2 LEU 104 -2.845 4.319 -0.055 828 3HD2 LEU 104 3HD2 LEU 104 -3.497 5.611 -1.063 829 H GLN 105 H GLN 105 -7.265 5.013 -4.731 830 HA GLN 105 HA GLN 105 -5.764 4.756 -7.109 831 1HB GLN 105 2HB GLN 105 -8.686 5.336 -6.638 832 2HB GLN 105 1HB GLN 105 -8.000 5.082 -8.237 833 1HG GLN 105 2HG GLN 105 -7.266 2.961 -6.419 834 2HG GLN 105 1HG GLN 105 -9.015 3.154 -6.525 835 1HE2 GLN 105 1HE2 GLN 105 -10.018 2.963 -8.577 836 2HE2 GLN 105 2HE2 GLN 105 -9.266 2.068 -9.849 837 H GLN 106 H GLN 106 -7.299 7.463 -5.532 838 HA GLN 106 HA GLN 106 -7.092 9.296 -7.664 839 1HB GLN 106 2HB GLN 106 -7.128 9.804 -4.681 840 2HB GLN 106 1HB GLN 106 -7.334 11.041 -5.913 841 1HG GLN 106 2HG GLN 106 -9.158 8.695 -5.438 842 2HG GLN 106 1HG GLN 106 -9.467 10.368 -4.975 843 1HE2 GLN 106 1HE2 GLN 106 -10.502 8.213 -7.021 844 2HE2 GLN 106 2HE2 GLN 106 -10.791 9.167 -8.432 845 H ILE 107 H ILE 107 -4.911 8.450 -5.016 846 HA ILE 107 HA ILE 107 -2.960 10.406 -5.439 847 HB ILE 107 HB ILE 107 -2.609 7.562 -4.475 848 1HG1 ILE 107 2HG1 ILE 107 -2.787 10.093 -2.841 849 2HG1 ILE 107 1HG1 ILE 107 -4.190 9.097 -3.207 850 1HG2 ILE 107 1HG2 ILE 107 -0.722 9.535 -3.487 851 2HG2 ILE 107 2HG2 ILE 107 -0.625 9.317 -5.234 852 3HG2 ILE 107 3HG2 ILE 107 -0.437 7.930 -4.161 853 1HD1 ILE 107 1HD1 ILE 107 -3.713 8.043 -1.311 854 2HD1 ILE 107 2HD1 ILE 107 -2.083 8.714 -1.244 855 3HD1 ILE 107 3HD1 ILE 107 -2.406 7.276 -2.213 856 H ILE 108 H ILE 108 -3.385 7.203 -6.864 857 HA ILE 108 HA ILE 108 -1.091 6.986 -8.403 858 HB ILE 108 HB ILE 108 -3.783 6.196 -9.473 859 1HG1 ILE 108 2HG1 ILE 108 -3.960 5.381 -7.286 860 2HG1 ILE 108 1HG1 ILE 108 -3.371 4.005 -8.211 861 1HG2 ILE 108 1HG2 ILE 108 -2.168 5.698 -11.033 862 2HG2 ILE 108 2HG2 ILE 108 -2.339 4.175 -10.157 863 3HG2 ILE 108 3HG2 ILE 108 -0.976 5.242 -9.815 864 1HD1 ILE 108 1HD1 ILE 108 -1.755 3.798 -6.718 865 2HD1 ILE 108 2HD1 ILE 108 -2.214 5.314 -5.941 866 3HD1 ILE 108 3HD1 ILE 108 -1.089 5.326 -7.299 867 H SER 109 H SER 109 -4.192 8.327 -9.282 868 HA SER 109 HA SER 109 -3.635 9.183 -11.853 869 1HB SER 109 2HB SER 109 -5.442 10.567 -9.862 870 2HB SER 109 1HB SER 109 -5.516 10.724 -11.617 871 HG SER 109 HG SER 109 -6.528 8.781 -10.005 872 H ARG 110 H ARG 110 -2.746 10.624 -8.827 873 HA ARG 110 HA ARG 110 -2.051 13.169 -9.868 874 1HB ARG 110 2HB ARG 110 -1.145 11.813 -7.328 875 2HB ARG 110 1HB ARG 110 -0.894 13.510 -7.713 876 1HG ARG 110 2HG ARG 110 -3.377 13.763 -7.843 877 2HG ARG 110 1HG ARG 110 -3.513 12.114 -7.230 878 1HD ARG 110 2HD ARG 110 -2.170 12.812 -5.251 879 2HD ARG 110 1HD ARG 110 -2.236 14.469 -5.849 880 HE ARG 110 HE ARG 110 -4.815 13.224 -5.541 881 1HH1 ARG 110 1HH1 ARG 110 -2.305 15.070 -3.964 882 2HH1 ARG 110 2HH1 ARG 110 -3.371 15.732 -2.771 883 1HH2 ARG 110 1HH2 ARG 110 -6.215 14.094 -3.971 884 2HH2 ARG 110 2HH2 ARG 110 -5.590 15.179 -2.774 885 H TYR 111 H TYR 111 -0.358 10.161 -9.434 886 HA TYR 111 HA TYR 111 2.245 11.194 -9.933 887 1HB TYR 111 2HB TYR 111 1.094 8.412 -10.002 888 2HB TYR 111 1HB TYR 111 2.776 8.737 -10.407 889 HD1 TYR 111 HD1 TYR 111 4.161 10.018 -8.622 890 HD2 TYR 111 HD2 TYR 111 0.495 8.027 -7.791 891 HE1 TYR 111 HE1 TYR 111 4.755 9.934 -6.238 892 HE2 TYR 111 HE2 TYR 111 1.080 7.936 -5.405 893 HH TYR 111 HH TYR 111 2.784 9.547 -3.864 894 H LYS 112 H LYS 112 -0.370 10.133 -11.925 895 HA LYS 112 HA LYS 112 1.100 9.741 -14.315 896 1HB LYS 112 2HB LYS 112 -1.826 10.420 -13.964 897 2HB LYS 112 1HB LYS 112 -1.084 9.795 -15.430 898 1HG LYS 112 2HG LYS 112 -1.232 8.347 -12.794 899 2HG LYS 112 1HG LYS 112 -2.276 8.060 -14.187 900 1HD LYS 112 2HD LYS 112 -0.785 6.579 -14.919 901 2HD LYS 112 1HD LYS 112 0.342 7.913 -15.171 902 1HE LYS 112 2HE LYS 112 1.485 7.495 -13.233 903 2HE LYS 112 1HE LYS 112 0.082 6.792 -12.430 904 1HZ LYS 112 1HZ LYS 112 0.370 4.914 -14.129 905 2HZ LYS 112 2HZ LYS 112 1.449 4.984 -12.828 906 3HZ LYS 112 3HZ LYS 112 1.929 5.534 -14.355 907 H ASP 113 H ASP 113 -0.452 12.509 -12.815 908 HA ASP 113 HA ASP 113 -0.439 14.269 -14.988 909 1HB ASP 113 2HB ASP 113 -1.589 14.651 -12.794 910 2HB ASP 113 1HB ASP 113 -0.018 15.007 -12.086 911 H ALA 114 H ALA 114 2.080 13.433 -12.674 912 HA ALA 114 HA ALA 114 3.923 15.441 -13.330 913 1HB ALA 114 1HB ALA 114 4.470 12.644 -12.344 914 2HB ALA 114 2HB ALA 114 4.131 14.050 -11.334 915 3HB ALA 114 3HB ALA 114 5.602 13.995 -12.304 916 H ASP 115 H ASP 115 3.171 12.379 -14.844 917 HA ASP 115 HA ASP 115 4.033 11.286 -16.658 918 1HB ASP 115 2HB ASP 115 4.111 12.652 -18.678 919 2HB ASP 115 1HB ASP 115 2.729 13.105 -17.686 Start of MODEL 14 1 HT1 PRO 1 HT2 PRO 1 -10.889 7.489 8.498 2 HT2 PRO 1 HT1 PRO 1 -9.882 8.409 7.473 3 HA PRO 1 HA PRO 1 -12.570 7.852 7.245 4 1HB PRO 1 2HB PRO 1 -12.324 10.776 7.055 5 2HB PRO 1 1HB PRO 1 -13.630 9.795 7.729 6 1HG PRO 1 2HG PRO 1 -11.899 11.189 9.286 7 2HG PRO 1 1HG PRO 1 -12.649 9.671 9.803 8 1HD PRO 1 2HD PRO 1 -9.864 10.183 8.849 9 2HD PRO 1 1HD PRO 1 -10.444 9.033 10.068 10 H SER 2 H SER 2 -12.391 7.183 5.202 11 HA SER 2 HA SER 2 -12.044 7.191 2.954 12 1HB SER 2 2HB SER 2 -12.944 9.539 3.127 13 2HB SER 2 1HB SER 2 -11.276 10.104 3.226 14 HG SER 2 HG SER 2 -11.006 8.883 1.175 15 H HIS 3 H HIS 3 -9.592 9.521 4.091 16 HA HIS 3 HA HIS 3 -7.549 8.184 2.567 17 1HB HIS 3 2HB HIS 3 -7.644 10.628 4.299 18 2HB HIS 3 1HB HIS 3 -6.088 9.942 3.840 19 HD1 HIS 3 HD1 HIS 3 -9.282 10.963 2.023 20 HD2 HIS 3 HD2 HIS 3 -5.155 11.045 1.566 21 HE1 HIS 3 HE1 HIS 3 -8.872 12.143 -0.159 22 HE2 HIS 3 HE2 HIS 3 -6.363 12.257 -0.371 23 H SER 4 H SER 4 -8.720 8.079 5.797 24 HA SER 4 HA SER 4 -6.457 6.346 6.547 25 1HB SER 4 2HB SER 4 -7.063 7.081 8.949 26 2HB SER 4 1HB SER 4 -6.189 8.225 7.932 27 HG SER 4 HG SER 4 -8.192 8.920 9.162 28 H GLY 5 H GLY 5 -6.961 4.337 7.062 29 1HA GLY 5 2HA GLY 5 -9.482 3.677 8.323 30 2HA GLY 5 1HA GLY 5 -9.305 3.066 6.684 31 H ALA 6 H ALA 6 -9.514 1.598 9.236 32 HA ALA 6 HA ALA 6 -6.998 0.588 9.986 33 1HB ALA 6 1HB ALA 6 -8.925 0.320 11.417 34 2HB ALA 6 2HB ALA 6 -8.225 -1.252 11.021 35 3HB ALA 6 3HB ALA 6 -9.700 -0.715 10.215 36 H ALA 7 H ALA 7 -5.786 -1.052 9.278 37 HA ALA 7 HA ALA 7 -6.775 -2.915 7.305 38 1HB ALA 7 1HB ALA 7 -5.014 -2.413 5.668 39 2HB ALA 7 2HB ALA 7 -4.513 -1.038 6.653 40 3HB ALA 7 3HB ALA 7 -6.110 -1.052 5.904 41 H ILE 8 H ILE 8 -5.519 -4.797 7.087 42 HA ILE 8 HA ILE 8 -3.612 -5.212 9.268 43 HB ILE 8 HB ILE 8 -4.750 -7.258 7.372 44 1HG1 ILE 8 2HG1 ILE 8 -5.700 -6.743 10.179 45 2HG1 ILE 8 1HG1 ILE 8 -6.459 -6.000 8.771 46 1HG2 ILE 8 1HG2 ILE 8 -2.608 -7.691 8.759 47 2HG2 ILE 8 2HG2 ILE 8 -3.886 -8.903 8.748 48 3HG2 ILE 8 3HG2 ILE 8 -3.720 -7.812 10.122 49 1HD1 ILE 8 1HD1 ILE 8 -7.253 -7.995 7.980 50 2HD1 ILE 8 2HD1 ILE 8 -7.407 -8.205 9.726 51 3HD1 ILE 8 3HD1 ILE 8 -6.054 -8.945 8.861 52 H PHE 9 H PHE 9 -1.546 -5.901 8.970 53 HA PHE 9 HA PHE 9 -0.570 -6.389 6.274 54 1HB PHE 9 2HB PHE 9 -0.256 -3.981 6.557 55 2HB PHE 9 1HB PHE 9 0.609 -4.256 8.061 56 HD1 PHE 9 HD1 PHE 9 0.781 -5.609 4.588 57 HD2 PHE 9 HD2 PHE 9 2.862 -3.936 7.897 58 HE1 PHE 9 HE1 PHE 9 2.892 -5.774 3.335 59 HE2 PHE 9 HE2 PHE 9 4.980 -4.096 6.652 60 HZ PHE 9 HZ PHE 9 4.997 -5.016 4.368 61 H GLU 10 H GLU 10 0.191 -8.367 6.553 62 HA GLU 10 HA GLU 10 1.647 -10.008 7.158 63 1HB GLU 10 2HB GLU 10 2.747 -8.112 9.229 64 2HB GLU 10 1HB GLU 10 3.505 -9.575 8.621 65 1HG GLU 10 2HG GLU 10 3.645 -8.530 6.390 66 2HG GLU 10 1HG GLU 10 2.988 -7.046 7.077 67 H LYS 11 H LYS 11 -0.874 -10.175 8.060 68 HA LYS 11 HA LYS 11 -2.196 -11.223 9.545 69 1HB LYS 11 2HB LYS 11 0.525 -12.183 10.226 70 2HB LYS 11 1HB LYS 11 -0.805 -12.614 11.297 71 1HG LYS 11 2HG LYS 11 -1.196 -13.025 8.393 72 2HG LYS 11 1HG LYS 11 -0.081 -14.114 9.228 73 1HD LYS 11 2HD LYS 11 -1.940 -15.298 9.686 74 2HD LYS 11 1HD LYS 11 -2.181 -14.092 10.950 75 1HE LYS 11 2HE LYS 11 -3.636 -12.812 9.529 76 2HE LYS 11 1HE LYS 11 -3.286 -13.861 8.156 77 1HZ LYS 11 1HZ LYS 11 -4.279 -15.706 9.483 78 2HZ LYS 11 2HZ LYS 11 -5.376 -14.502 9.030 79 3HZ LYS 11 3HZ LYS 11 -4.788 -14.557 10.616 80 H VAL 12 H VAL 12 -0.835 -8.502 10.243 81 HA VAL 12 HA VAL 12 -1.771 -8.499 13.004 82 HB VAL 12 HB VAL 12 0.589 -6.987 11.885 83 1HG1 VAL 12 1HG1 VAL 12 -0.728 -5.523 13.340 84 2HG1 VAL 12 2HG1 VAL 12 0.814 -5.948 14.083 85 3HG1 VAL 12 3HG1 VAL 12 -0.669 -6.740 14.615 86 1HG2 VAL 12 1HG2 VAL 12 0.602 -8.750 14.300 87 2HG2 VAL 12 2HG2 VAL 12 1.945 -8.266 13.264 88 3HG2 VAL 12 3HG2 VAL 12 0.760 -9.436 12.684 89 H SER 13 H SER 13 -3.130 -6.804 13.546 90 HA SER 13 HA SER 13 -4.011 -5.203 11.252 91 1HB SER 13 2HB SER 13 -5.489 -5.608 13.857 92 2HB SER 13 1HB SER 13 -6.135 -5.000 12.332 93 HG SER 13 HG SER 13 -6.707 -7.133 12.476 94 H GLY 14 H GLY 14 -4.394 -3.046 11.373 95 1HA GLY 14 2HA GLY 14 -3.946 -1.461 13.695 96 2HA GLY 14 1HA GLY 14 -2.547 -1.433 12.624 97 H ILE 15 H ILE 15 -3.515 0.960 12.861 98 HA ILE 15 HA ILE 15 -5.585 1.369 10.852 99 HB ILE 15 HB ILE 15 -4.373 3.174 12.918 100 1HG1 ILE 15 2HG1 ILE 15 -6.813 3.416 13.491 101 2HG1 ILE 15 1HG1 ILE 15 -7.157 2.206 12.255 102 1HG2 ILE 15 1HG2 ILE 15 -6.002 3.957 10.511 103 2HG2 ILE 15 2HG2 ILE 15 -4.470 4.634 11.063 104 3HG2 ILE 15 3HG2 ILE 15 -5.948 4.938 11.976 105 1HD1 ILE 15 1HD1 ILE 15 -6.277 0.498 13.485 106 2HD1 ILE 15 2HD1 ILE 15 -6.934 1.525 14.759 107 3HD1 ILE 15 3HD1 ILE 15 -5.207 1.558 14.404 108 H ILE 16 H ILE 16 -5.242 2.067 8.887 109 HA ILE 16 HA ILE 16 -2.496 2.703 8.088 110 HB ILE 16 HB ILE 16 -4.732 1.254 6.878 111 1HG1 ILE 16 2HG1 ILE 16 -1.751 1.392 6.406 112 2HG1 ILE 16 1HG1 ILE 16 -2.647 0.173 7.301 113 1HG2 ILE 16 1HG2 ILE 16 -5.040 3.125 5.441 114 2HG2 ILE 16 2HG2 ILE 16 -4.127 1.930 4.523 115 3HG2 ILE 16 3HG2 ILE 16 -3.303 3.327 5.216 116 1HD1 ILE 16 1HD1 ILE 16 -3.677 0.269 4.658 117 2HD1 ILE 16 2HD1 ILE 16 -2.837 -1.049 5.476 118 3HD1 ILE 16 3HD1 ILE 16 -1.918 0.161 4.580 119 H ALA 17 H ALA 17 -2.003 4.770 7.791 120 HA ALA 17 HA ALA 17 -4.153 6.651 7.070 121 1HB ALA 17 1HB ALA 17 -3.205 7.169 9.227 122 2HB ALA 17 2HB ALA 17 -2.722 8.406 8.066 123 3HB ALA 17 3HB ALA 17 -1.576 7.157 8.552 124 H ILE 18 H ILE 18 -3.852 8.077 5.380 125 HA ILE 18 HA ILE 18 -1.598 7.443 3.618 126 HB ILE 18 HB ILE 18 -4.424 8.135 3.167 127 1HG1 ILE 18 2HG1 ILE 18 -2.518 6.819 1.254 128 2HG1 ILE 18 1HG1 ILE 18 -3.118 5.960 2.670 129 1HG2 ILE 18 1HG2 ILE 18 -3.535 10.164 2.286 130 2HG2 ILE 18 2HG2 ILE 18 -3.966 9.122 0.929 131 3HG2 ILE 18 3HG2 ILE 18 -2.277 9.295 1.408 132 1HD1 ILE 18 1HD1 ILE 18 -4.566 6.843 0.231 133 2HD1 ILE 18 2HD1 ILE 18 -5.449 6.714 1.753 134 3HD1 ILE 18 3HD1 ILE 18 -4.624 5.304 1.089 135 H ASN 19 H ASN 19 0.015 8.847 3.557 136 HA ASN 19 HA ASN 19 -0.521 11.654 4.262 137 1HB ASN 19 2HB ASN 19 1.102 10.332 5.686 138 2HB ASN 19 1HB ASN 19 2.162 10.267 4.281 139 1HD2 ASN 19 1HD2 ASN 19 3.675 11.746 4.252 140 2HD2 ASN 19 2HD2 ASN 19 3.586 13.317 4.965 141 H GLU 20 H GLU 20 -0.772 12.853 2.506 142 HA GLU 20 HA GLU 20 0.975 12.347 0.194 143 1HB GLU 20 2HB GLU 20 -0.824 13.792 -0.998 144 2HB GLU 20 1HB GLU 20 -1.181 12.111 -0.631 145 1HG GLU 20 2HG GLU 20 -2.443 12.786 1.330 146 2HG GLU 20 1HG GLU 20 -2.051 14.476 1.015 147 H ASP 21 H ASP 21 0.579 14.385 2.780 148 HA ASP 21 HA ASP 21 0.987 16.930 1.685 149 1HB ASP 21 2HB ASP 21 0.308 16.459 4.042 150 2HB ASP 21 1HB ASP 21 1.958 15.930 4.365 151 H VAL 22 H VAL 22 3.112 14.259 1.986 152 HA VAL 22 HA VAL 22 5.457 15.946 1.697 153 HB VAL 22 HB VAL 22 5.247 13.851 3.256 154 1HG1 VAL 22 1HG1 VAL 22 4.764 12.506 1.016 155 2HG1 VAL 22 2HG1 VAL 22 5.559 11.780 2.412 156 3HG1 VAL 22 3HG1 VAL 22 6.522 12.359 1.052 157 1HG2 VAL 22 1HG2 VAL 22 7.832 13.468 2.301 158 2HG2 VAL 22 2HG2 VAL 22 7.319 14.557 3.590 159 3HG2 VAL 22 3HG2 VAL 22 7.444 15.149 1.933 160 H SER 23 H SER 23 7.058 14.121 0.269 161 HA SER 23 HA SER 23 5.827 13.400 -2.196 162 1HB SER 23 2HB SER 23 6.630 15.054 -3.651 163 2HB SER 23 1HB SER 23 6.053 15.974 -2.262 164 HG SER 23 HG SER 23 8.223 16.046 -1.522 165 HA PRO 24 HA PRO 24 5.982 11.878 -3.419 166 1HB PRO 24 2HB PRO 24 6.247 9.196 -3.281 167 2HB PRO 24 1HB PRO 24 7.052 10.162 -4.522 168 1HG PRO 24 2HG PRO 24 8.158 9.057 -1.969 169 2HG PRO 24 1HG PRO 24 8.887 9.081 -3.584 170 1HD PRO 24 2HD PRO 24 9.537 10.868 -1.644 171 2HD PRO 24 1HD PRO 24 9.586 11.261 -3.374 172 H ALA 25 H ALA 25 4.023 11.128 -2.607 173 HA ALA 25 HA ALA 25 3.521 11.378 0.115 174 1HB ALA 25 1HB ALA 25 1.944 9.913 -2.000 175 2HB ALA 25 2HB ALA 25 1.743 11.588 -1.487 176 3HB ALA 25 3HB ALA 25 1.343 10.273 -0.382 177 H GLU 26 H GLU 26 2.462 9.555 1.467 178 HA GLU 26 HA GLU 26 3.537 6.911 1.033 179 1HB GLU 26 2HB GLU 26 4.472 8.557 3.390 180 2HB GLU 26 1HB GLU 26 4.770 6.837 3.176 181 1HG GLU 26 2HG GLU 26 5.994 7.367 1.083 182 2HG GLU 26 1HG GLU 26 5.794 9.079 1.453 183 H LEU 27 H LEU 27 2.565 5.323 2.284 184 HA LEU 27 HA LEU 27 0.219 6.225 3.815 185 1HB LEU 27 2HB LEU 27 -0.228 4.863 1.793 186 2HB LEU 27 1HB LEU 27 0.712 3.558 2.489 187 HG LEU 27 HG LEU 27 -1.672 4.648 3.944 188 1HD1 LEU 27 1HD1 LEU 27 -1.636 2.769 1.610 189 2HD1 LEU 27 2HD1 LEU 27 -2.690 4.149 1.909 190 3HD1 LEU 27 3HD1 LEU 27 -2.887 2.670 2.849 191 1HD2 LEU 27 1HD2 LEU 27 -0.018 2.160 3.992 192 2HD2 LEU 27 2HD2 LEU 27 -1.683 2.131 4.574 193 3HD2 LEU 27 3HD2 LEU 27 -0.505 3.209 5.324 194 H THR 28 H THR 28 0.511 6.137 5.950 195 HA THR 28 HA THR 28 2.499 4.430 7.116 196 HB THR 28 HB THR 28 0.747 5.970 8.872 197 HG1 THR 28 HG1 THR 28 0.574 7.515 7.416 198 1HG2 THR 28 1HG2 THR 28 2.954 5.128 9.538 199 2HG2 THR 28 2HG2 THR 28 2.810 6.879 9.694 200 3HG2 THR 28 3HG2 THR 28 3.683 6.184 8.329 201 H TRP 29 H TRP 29 2.113 2.856 8.663 202 HA TRP 29 HA TRP 29 -0.656 1.996 9.066 203 1HB TRP 29 2HB TRP 29 0.345 0.522 7.378 204 2HB TRP 29 1HB TRP 29 1.697 0.190 8.460 205 HD1 TRP 29 HD1 TRP 29 -2.133 0.062 9.006 206 HE1 TRP 29 HE1 TRP 29 -2.723 -2.221 10.057 207 HE3 TRP 29 HE3 TRP 29 2.547 -1.981 9.186 208 HZ2 TRP 29 HZ2 TRP 29 -1.376 -4.546 10.852 209 HZ3 TRP 29 HZ3 TRP 29 2.807 -4.248 10.115 210 HH2 TRP 29 HH2 TRP 29 0.873 -5.509 10.928 211 H ARG 30 H ARG 30 -1.004 2.295 11.171 212 HA ARG 30 HA ARG 30 1.180 1.679 13.046 213 1HB ARG 30 2HB ARG 30 -1.354 3.292 13.428 214 2HB ARG 30 1HB ARG 30 -0.203 2.941 14.709 215 1HG ARG 30 2HG ARG 30 1.537 4.136 13.450 216 2HG ARG 30 1HG ARG 30 0.344 4.527 12.209 217 1HD ARG 30 2HD ARG 30 -1.012 5.639 14.007 218 2HD ARG 30 1HD ARG 30 0.362 5.412 15.089 219 HE ARG 30 HE ARG 30 0.111 7.352 12.981 220 1HH1 ARG 30 1HH1 ARG 30 2.347 5.547 14.961 221 2HH1 ARG 30 2HH1 ARG 30 3.633 6.692 14.770 222 1HH2 ARG 30 1HH2 ARG 30 1.801 8.858 12.730 223 2HH2 ARG 30 2HH2 ARG 30 3.322 8.571 13.505 224 H SER 31 H SER 31 1.056 -0.139 14.236 225 HA SER 31 HA SER 31 -0.929 -2.046 13.872 226 1HB SER 31 2HB SER 31 1.087 -2.902 14.675 227 2HB SER 31 1HB SER 31 1.219 -1.675 15.936 228 HG SER 31 HG SER 31 0.354 -3.112 17.188 229 H THR 32 H THR 32 -2.330 -2.981 15.593 230 HA THR 32 HA THR 32 -4.228 -1.143 16.457 231 HB THR 32 HB THR 32 -3.626 -4.011 16.830 232 HG1 THR 32 HG1 THR 32 -5.502 -4.215 15.821 233 1HG2 THR 32 1HG2 THR 32 -5.513 -4.325 18.375 234 2HG2 THR 32 2HG2 THR 32 -5.525 -2.582 18.652 235 3HG2 THR 32 3HG2 THR 32 -4.112 -3.537 19.097 236 H ASP 33 H ASP 33 -1.429 -2.511 17.968 237 HA ASP 33 HA ASP 33 -2.009 -1.534 20.590 238 1HB ASP 33 2HB ASP 33 0.531 -2.647 19.397 239 2HB ASP 33 1HB ASP 33 0.335 -2.238 21.098 240 H GLY 34 H GLY 34 -0.061 -0.495 17.889 241 1HA GLY 34 2HA GLY 34 0.250 1.860 17.466 242 2HA GLY 34 1HA GLY 34 0.258 2.118 19.204 243 H ASP 35 H ASP 35 1.984 -0.328 19.488 244 HA ASP 35 HA ASP 35 4.464 1.002 19.538 245 1HB ASP 35 2HB ASP 35 3.815 -0.880 21.047 246 2HB ASP 35 1HB ASP 35 3.989 -1.977 19.680 247 H LYS 36 H LYS 36 2.855 -0.767 17.075 248 HA LYS 36 HA LYS 36 5.343 -0.953 15.520 249 1HB LYS 36 2HB LYS 36 2.991 -2.657 15.755 250 2HB LYS 36 1HB LYS 36 3.382 -2.287 14.081 251 1HG LYS 36 2HG LYS 36 5.681 -3.076 14.471 252 2HG LYS 36 1HG LYS 36 5.226 -3.515 16.119 253 1HD LYS 36 2HD LYS 36 3.496 -5.028 15.190 254 2HD LYS 36 1HD LYS 36 4.076 -4.644 13.568 255 1HE LYS 36 2HE LYS 36 5.806 -5.816 15.737 256 2HE LYS 36 1HE LYS 36 4.964 -6.781 14.525 257 1HZ LYS 36 1HZ LYS 36 6.182 -5.256 12.869 258 2HZ LYS 36 2HZ LYS 36 7.048 -6.504 13.613 259 3HZ LYS 36 3HZ LYS 36 7.214 -4.914 14.166 260 H VAL 37 H VAL 37 5.656 0.391 13.881 261 HA VAL 37 HA VAL 37 3.336 1.621 12.572 262 HB VAL 37 HB VAL 37 5.784 3.172 13.417 263 1HG1 VAL 37 1HG1 VAL 37 3.318 4.577 12.663 264 2HG1 VAL 37 2HG1 VAL 37 4.106 3.704 11.348 265 3HG1 VAL 37 3HG1 VAL 37 4.997 4.928 12.254 266 1HG2 VAL 37 1HG2 VAL 37 4.713 2.876 15.433 267 2HG2 VAL 37 2HG2 VAL 37 3.113 2.805 14.695 268 3HG2 VAL 37 3HG2 VAL 37 3.945 4.353 14.849 269 H HIS 38 H HIS 38 3.456 1.033 10.518 270 HA HIS 38 HA HIS 38 6.113 0.874 9.249 271 1HB HIS 38 2HB HIS 38 4.967 -1.259 9.227 272 2HB HIS 38 1HB HIS 38 3.553 -0.521 8.490 273 HD1 HIS 38 HD1 HIS 38 6.344 -2.496 7.600 274 HD2 HIS 38 HD2 HIS 38 4.404 0.730 5.842 275 HE1 HIS 38 HE1 HIS 38 6.990 -2.564 5.169 276 HE2 HIS 38 HE2 HIS 38 5.735 -0.654 4.111 277 H THR 39 H THR 39 6.499 1.865 7.353 278 HA THR 39 HA THR 39 4.434 3.751 6.421 279 HB THR 39 HB THR 39 7.414 4.103 6.108 280 HG1 THR 39 HG1 THR 39 5.683 4.973 8.165 281 1HG2 THR 39 1HG2 THR 39 6.088 5.445 4.578 282 2HG2 THR 39 2HG2 THR 39 6.874 6.452 5.793 283 3HG2 THR 39 3HG2 THR 39 5.156 6.082 5.933 284 H VAL 40 H VAL 40 3.827 3.687 4.342 285 HA VAL 40 HA VAL 40 5.322 1.891 2.542 286 HB VAL 40 HB VAL 40 2.377 2.536 2.385 287 1HG1 VAL 40 1HG1 VAL 40 2.229 0.880 0.729 288 2HG1 VAL 40 2HG1 VAL 40 3.835 0.250 1.094 289 3HG1 VAL 40 3HG1 VAL 40 3.662 1.818 0.308 290 1HG2 VAL 40 1HG2 VAL 40 3.069 1.270 4.455 291 2HG2 VAL 40 2HG2 VAL 40 3.585 -0.033 3.382 292 3HG2 VAL 40 3HG2 VAL 40 1.892 0.463 3.419 293 H VAL 41 H VAL 41 5.735 2.541 0.460 294 HA VAL 41 HA VAL 41 5.446 5.404 -0.045 295 HB VAL 41 HB VAL 41 6.983 3.411 -1.709 296 1HG1 VAL 41 1HG1 VAL 41 6.909 6.405 -1.533 297 2HG1 VAL 41 2HG1 VAL 41 6.688 5.374 -2.947 298 3HG1 VAL 41 3HG1 VAL 41 8.287 5.551 -2.225 299 1HG2 VAL 41 1HG2 VAL 41 8.969 4.003 -0.477 300 2HG2 VAL 41 2HG2 VAL 41 7.756 3.392 0.646 301 3HG2 VAL 41 3HG2 VAL 41 8.054 5.126 0.528 302 H LEU 42 H LEU 42 3.909 6.158 -1.341 303 HA LEU 42 HA LEU 42 2.314 4.306 -2.903 304 1HB LEU 42 2HB LEU 42 1.943 7.283 -2.632 305 2HB LEU 42 1HB LEU 42 0.757 6.105 -3.164 306 HG LEU 42 HG LEU 42 1.844 6.459 -0.373 307 1HD1 LEU 42 1HD1 LEU 42 -0.089 7.479 0.142 308 2HD1 LEU 42 2HD1 LEU 42 -1.043 6.439 -0.915 309 3HD1 LEU 42 3HD1 LEU 42 -0.158 7.807 -1.589 310 1HD2 LEU 42 1HD2 LEU 42 0.630 4.133 -1.660 311 2HD2 LEU 42 2HD2 LEU 42 -0.195 4.645 -0.187 312 3HD2 LEU 42 3HD2 LEU 42 1.525 4.255 -0.146 313 H SER 43 H SER 43 4.992 6.290 -3.457 314 HA SER 43 HA SER 43 4.364 6.978 -6.184 315 1HB SER 43 2HB SER 43 5.787 8.524 -5.097 316 2HB SER 43 1HB SER 43 6.835 7.251 -4.478 317 HG SER 43 HG SER 43 7.774 7.055 -6.406 318 H THR 44 H THR 44 5.941 4.388 -4.496 319 HA THR 44 HA THR 44 7.178 3.334 -6.891 320 HB THR 44 HB THR 44 8.307 3.135 -4.709 321 HG1 THR 44 HG1 THR 44 7.538 0.631 -5.791 322 1HG2 THR 44 1HG2 THR 44 6.168 2.733 -3.403 323 2HG2 THR 44 2HG2 THR 44 7.578 1.767 -2.966 324 3HG2 THR 44 3HG2 THR 44 6.290 1.059 -3.942 325 H ILE 45 H ILE 45 4.097 3.282 -5.634 326 HA ILE 45 HA ILE 45 3.429 0.551 -6.258 327 HB ILE 45 HB ILE 45 1.531 2.850 -5.790 328 1HG1 ILE 45 2HG1 ILE 45 3.013 2.716 -3.887 329 2HG1 ILE 45 1HG1 ILE 45 1.457 2.028 -3.436 330 1HG2 ILE 45 1HG2 ILE 45 -0.075 1.155 -5.225 331 2HG2 ILE 45 2HG2 ILE 45 1.140 -0.112 -5.394 332 3HG2 ILE 45 3HG2 ILE 45 0.601 0.789 -6.812 333 1HD1 ILE 45 1HD1 ILE 45 3.356 0.733 -2.582 334 2HD1 ILE 45 2HD1 ILE 45 3.883 0.438 -4.238 335 3HD1 ILE 45 3HD1 ILE 45 2.341 -0.206 -3.676 336 H ASP 46 H ASP 46 3.726 0.087 -8.379 337 HA ASP 46 HA ASP 46 3.189 1.792 -10.538 338 1HB ASP 46 2HB ASP 46 4.543 -0.408 -10.480 339 2HB ASP 46 1HB ASP 46 2.991 -1.206 -10.724 340 H LYS 47 H LYS 47 1.129 -0.274 -8.646 341 HA LYS 47 HA LYS 47 -1.233 0.917 -9.646 342 1HB LYS 47 2HB LYS 47 -0.253 -1.405 -11.075 343 2HB LYS 47 1HB LYS 47 -1.830 -1.726 -10.365 344 1HG LYS 47 2HG LYS 47 -2.795 0.145 -11.510 345 2HG LYS 47 1HG LYS 47 -1.212 0.656 -12.099 346 1HD LYS 47 2HD LYS 47 -2.462 -0.502 -13.846 347 2HD LYS 47 1HD LYS 47 -1.023 -1.416 -13.388 348 1HE LYS 47 2HE LYS 47 -2.246 -3.057 -12.314 349 2HE LYS 47 1HE LYS 47 -3.632 -1.999 -12.058 350 1HZ LYS 47 1HZ LYS 47 -2.941 -2.587 -14.824 351 2HZ LYS 47 2HZ LYS 47 -4.460 -2.440 -14.095 352 3HZ LYS 47 3HZ LYS 47 -3.576 -3.871 -13.921 353 H LEU 48 H LEU 48 -3.078 0.312 -8.466 354 HA LEU 48 HA LEU 48 -2.493 -1.341 -6.104 355 1HB LEU 48 2HB LEU 48 -4.102 -0.060 -4.891 356 2HB LEU 48 1HB LEU 48 -3.014 1.055 -5.696 357 HG LEU 48 HG LEU 48 -4.976 0.926 -7.543 358 1HD1 LEU 48 1HD1 LEU 48 -6.823 -0.026 -6.765 359 2HD1 LEU 48 2HD1 LEU 48 -6.930 1.258 -5.562 360 3HD1 LEU 48 3HD1 LEU 48 -6.097 -0.247 -5.174 361 1HD2 LEU 48 1HD2 LEU 48 -4.527 3.067 -7.034 362 2HD2 LEU 48 2HD2 LEU 48 -4.292 2.719 -5.321 363 3HD2 LEU 48 3HD2 LEU 48 -5.921 2.923 -5.964 364 H GLN 49 H GLN 49 -3.380 -3.288 -6.135 365 HA GLN 49 HA GLN 49 -5.836 -3.707 -7.690 366 1HB GLN 49 2HB GLN 49 -3.775 -5.682 -6.698 367 2HB GLN 49 1HB GLN 49 -5.235 -6.119 -7.574 368 1HG GLN 49 2HG GLN 49 -4.478 -4.891 -9.516 369 2HG GLN 49 1HG GLN 49 -3.047 -4.350 -8.640 370 1HE2 GLN 49 1HE2 GLN 49 -3.003 -5.749 -11.078 371 2HE2 GLN 49 2HE2 GLN 49 -2.245 -7.277 -10.809 372 H ALA 50 H ALA 50 -7.513 -5.055 -6.817 373 HA ALA 50 HA ALA 50 -7.491 -5.414 -3.913 374 1HB ALA 50 1HB ALA 50 -9.366 -4.152 -3.477 375 2HB ALA 50 2HB ALA 50 -9.936 -4.225 -5.144 376 3HB ALA 50 3HB ALA 50 -8.579 -3.180 -4.721 377 H THR 51 H THR 51 -9.208 -6.826 -3.142 378 HA THR 51 HA THR 51 -9.554 -9.083 -4.840 379 HB THR 51 HB THR 51 -10.815 -10.045 -2.974 380 HG1 THR 51 HG1 THR 51 -10.681 -7.416 -1.933 381 1HG2 THR 51 1HG2 THR 51 -8.231 -8.704 -2.450 382 2HG2 THR 51 2HG2 THR 51 -8.655 -10.415 -2.411 383 3HG2 THR 51 3HG2 THR 51 -9.111 -9.364 -1.071 384 HA PRO 52 HA PRO 52 -13.365 -8.174 -6.854 385 1HB PRO 52 2HB PRO 52 -14.522 -10.643 -6.949 386 2HB PRO 52 1HB PRO 52 -13.185 -10.153 -7.995 387 1HG PRO 52 2HG PRO 52 -13.127 -11.766 -5.475 388 2HG PRO 52 1HG PRO 52 -12.244 -12.024 -6.991 389 1HD PRO 52 2HD PRO 52 -11.085 -10.906 -4.828 390 2HD PRO 52 1HD PRO 52 -10.651 -10.429 -6.482 391 H ALA 53 H ALA 53 -15.656 -8.051 -6.565 392 HA ALA 53 HA ALA 53 -16.437 -7.665 -3.859 393 1HB ALA 53 1HB ALA 53 -17.649 -7.266 -6.512 394 2HB ALA 53 2HB ALA 53 -17.610 -6.201 -5.106 395 3HB ALA 53 3HB ALA 53 -18.778 -7.521 -5.181 396 H SER 54 H SER 54 -16.318 -10.444 -5.765 397 HA SER 54 HA SER 54 -18.595 -11.739 -4.505 398 1HB SER 54 2HB SER 54 -16.569 -12.708 -6.529 399 2HB SER 54 1HB SER 54 -17.877 -13.707 -5.893 400 HG SER 54 HG SER 54 -18.581 -12.783 -7.792 401 H SER 55 H SER 55 -15.549 -11.052 -3.522 402 HA SER 55 HA SER 55 -15.199 -13.591 -2.086 403 1HB SER 55 2HB SER 55 -13.351 -12.249 -3.557 404 2HB SER 55 1HB SER 55 -13.049 -11.567 -1.959 405 HG SER 55 HG SER 55 -11.896 -13.582 -2.575 406 H GLU 56 H GLU 56 -16.003 -13.592 -0.110 407 HA GLU 56 HA GLU 56 -16.833 -11.348 1.315 408 1HB GLU 56 2HB GLU 56 -17.579 -13.676 1.759 409 2HB GLU 56 1HB GLU 56 -16.002 -14.022 2.453 410 1HG GLU 56 2HG GLU 56 -17.498 -13.623 4.245 411 2HG GLU 56 1HG GLU 56 -16.431 -12.225 4.129 412 H LYS 57 H LYS 57 -13.698 -12.634 0.864 413 HA LYS 57 HA LYS 57 -12.599 -11.331 3.226 414 1HB LYS 57 2HB LYS 57 -11.285 -12.943 1.031 415 2HB LYS 57 1HB LYS 57 -10.436 -12.271 2.416 416 1HG LYS 57 2HG LYS 57 -11.877 -13.621 3.904 417 2HG LYS 57 1HG LYS 57 -12.609 -14.353 2.475 418 1HD LYS 57 2HD LYS 57 -10.357 -15.137 1.786 419 2HD LYS 57 1HD LYS 57 -9.710 -14.498 3.299 420 1HE LYS 57 2HE LYS 57 -10.765 -16.101 4.580 421 2HE LYS 57 1HE LYS 57 -12.013 -16.395 3.371 422 1HZ LYS 57 1HZ LYS 57 -9.970 -17.239 1.999 423 2HZ LYS 57 2HZ LYS 57 -10.733 -18.248 3.122 424 3HZ LYS 57 3HZ LYS 57 -9.291 -17.467 3.532 425 H MET 58 H MET 58 -12.494 -9.174 3.040 426 HA MET 58 HA MET 58 -11.855 -7.914 0.515 427 1HB MET 58 2HB MET 58 -12.014 -5.797 1.917 428 2HB MET 58 1HB MET 58 -13.481 -6.756 1.773 429 1HG MET 58 2HG MET 58 -11.917 -7.561 4.062 430 2HG MET 58 1HG MET 58 -12.292 -5.839 4.107 431 1HE MET 58 1HE MET 58 -12.836 -8.045 5.971 432 2HE MET 58 2HE MET 58 -14.303 -9.008 5.788 433 3HE MET 58 3HE MET 58 -14.363 -7.460 6.631 434 H MET 59 H MET 59 -9.830 -7.734 -0.152 435 HA MET 59 HA MET 59 -7.778 -6.849 1.723 436 1HB MET 59 2HB MET 59 -7.403 -9.263 -0.059 437 2HB MET 59 1HB MET 59 -6.189 -8.554 0.995 438 1HG MET 59 2HG MET 59 -7.654 -9.081 2.933 439 2HG MET 59 1HG MET 59 -8.731 -9.928 1.824 440 1HE MET 59 1HE MET 59 -8.126 -12.822 3.040 441 2HE MET 59 2HE MET 59 -8.281 -11.314 3.941 442 3HE MET 59 3HE MET 59 -6.881 -12.355 4.199 443 H LEU 60 H LEU 60 -6.078 -5.715 0.766 444 HA LEU 60 HA LEU 60 -6.478 -5.073 -2.084 445 1HB LEU 60 2HB LEU 60 -5.640 -3.375 0.245 446 2HB LEU 60 1HB LEU 60 -5.226 -2.914 -1.394 447 HG LEU 60 HG LEU 60 -7.283 -1.819 -0.461 448 1HD1 LEU 60 1HD1 LEU 60 -8.688 -2.512 -2.557 449 2HD1 LEU 60 2HD1 LEU 60 -7.211 -3.366 -3.005 450 3HD1 LEU 60 3HD1 LEU 60 -7.176 -1.622 -2.741 451 1HD2 LEU 60 1HD2 LEU 60 -7.985 -4.135 0.562 452 2HD2 LEU 60 2HD2 LEU 60 -8.769 -4.342 -1.005 453 3HD2 LEU 60 3HD2 LEU 60 -9.200 -2.976 0.024 454 H ARG 61 H ARG 61 -4.764 -5.167 -3.450 455 HA ARG 61 HA ARG 61 -2.184 -6.000 -2.292 456 1HB ARG 61 2HB ARG 61 -3.329 -7.781 -3.576 457 2HB ARG 61 1HB ARG 61 -3.324 -6.739 -4.993 458 1HG ARG 61 2HG ARG 61 -0.969 -6.835 -5.172 459 2HG ARG 61 1HG ARG 61 -0.810 -7.580 -3.580 460 1HD ARG 61 2HD ARG 61 -0.509 -9.281 -5.237 461 2HD ARG 61 1HD ARG 61 -2.061 -9.548 -4.445 462 HE ARG 61 HE ARG 61 -2.339 -7.978 -6.804 463 1HH1 ARG 61 1HH1 ARG 61 -1.915 -11.251 -5.669 464 2HH1 ARG 61 2HH1 ARG 61 -2.666 -11.962 -7.057 465 1HH2 ARG 61 1HH2 ARG 61 -3.328 -8.912 -8.631 466 2HH2 ARG 61 2HH2 ARG 61 -3.468 -10.636 -8.739 467 H LEU 62 H LEU 62 -0.528 -4.692 -2.618 468 HA LEU 62 HA LEU 62 -0.793 -2.573 -4.630 469 1HB LEU 62 2HB LEU 62 0.309 -2.717 -1.954 470 2HB LEU 62 1HB LEU 62 1.480 -2.066 -3.087 471 HG LEU 62 HG LEU 62 -0.067 -0.309 -3.737 472 1HD1 LEU 62 1HD1 LEU 62 -2.238 -0.067 -2.883 473 2HD1 LEU 62 2HD1 LEU 62 -1.976 -1.290 -1.639 474 3HD1 LEU 62 3HD1 LEU 62 -2.110 -1.769 -3.332 475 1HD2 LEU 62 1HD2 LEU 62 -0.452 0.523 -1.191 476 2HD2 LEU 62 2HD2 LEU 62 1.082 0.638 -2.051 477 3HD2 LEU 62 3HD2 LEU 62 0.787 -0.709 -0.952 478 H ILE 63 H ILE 63 0.513 -2.442 -6.338 479 HA ILE 63 HA ILE 63 2.587 -4.505 -6.628 480 HB ILE 63 HB ILE 63 1.415 -2.818 -8.834 481 1HG1 ILE 63 2HG1 ILE 63 -0.373 -4.108 -7.721 482 2HG1 ILE 63 1HG1 ILE 63 -0.063 -4.690 -9.353 483 1HG2 ILE 63 1HG2 ILE 63 2.517 -4.181 -10.311 484 2HG2 ILE 63 2HG2 ILE 63 2.574 -5.539 -9.186 485 3HG2 ILE 63 3HG2 ILE 63 3.661 -4.166 -8.968 486 1HD1 ILE 63 1HD1 ILE 63 -0.016 -6.708 -8.422 487 2HD1 ILE 63 2HD1 ILE 63 0.189 -6.054 -6.797 488 3HD1 ILE 63 3HD1 ILE 63 1.590 -6.262 -7.848 489 H GLY 64 H GLY 64 4.658 -3.933 -6.542 490 1HA GLY 64 2HA GLY 64 5.358 -1.109 -6.511 491 2HA GLY 64 1HA GLY 64 6.419 -2.451 -6.109 492 H LYS 65 H LYS 65 6.090 -0.027 -8.205 493 HA LYS 65 HA LYS 65 6.461 -1.214 -10.736 494 1HB LYS 65 2HB LYS 65 7.193 0.986 -11.471 495 2HB LYS 65 1HB LYS 65 5.788 1.136 -10.425 496 1HG LYS 65 2HG LYS 65 7.340 1.660 -8.542 497 2HG LYS 65 1HG LYS 65 8.656 1.695 -9.717 498 1HD LYS 65 2HD LYS 65 6.181 3.406 -9.910 499 2HD LYS 65 1HD LYS 65 7.688 3.937 -9.162 500 1HE LYS 65 2HE LYS 65 7.955 2.792 -11.859 501 2HE LYS 65 1HE LYS 65 7.059 4.306 -11.771 502 1HZ LYS 65 1HZ LYS 65 9.131 4.920 -10.255 503 2HZ LYS 65 2HZ LYS 65 9.133 5.148 -11.931 504 3HZ LYS 65 3HZ LYS 65 9.878 3.784 -11.263 505 H VAL 66 H VAL 66 8.618 -0.446 -11.971 506 HA VAL 66 HA VAL 66 10.668 -2.137 -10.965 507 HB VAL 66 HB VAL 66 10.906 -0.100 -13.183 508 1HG1 VAL 66 1HG1 VAL 66 12.370 -2.649 -13.295 509 2HG1 VAL 66 2HG1 VAL 66 12.890 -1.533 -12.033 510 3HG1 VAL 66 3HG1 VAL 66 12.890 -1.018 -13.720 511 1HG2 VAL 66 1HG2 VAL 66 9.531 -2.708 -13.050 512 2HG2 VAL 66 2HG2 VAL 66 10.543 -2.433 -14.468 513 3HG2 VAL 66 3HG2 VAL 66 9.233 -1.316 -14.093 514 H ASP 67 H ASP 67 10.148 1.339 -10.970 515 HA ASP 67 HA ASP 67 11.184 3.045 -9.883 516 1HB ASP 67 2HB ASP 67 12.319 0.780 -8.230 517 2HB ASP 67 1HB ASP 67 12.467 2.487 -7.820 518 H GLU 68 H GLU 68 12.331 2.366 -12.244 519 HA GLU 68 HA GLU 68 15.225 2.440 -11.727 520 1HB GLU 68 2HB GLU 68 15.550 1.637 -13.985 521 2HB GLU 68 1HB GLU 68 14.418 0.579 -13.154 522 1HG GLU 68 2HG GLU 68 12.556 1.776 -14.265 523 2HG GLU 68 1HG GLU 68 13.746 2.712 -15.168 524 H SER 69 H SER 69 13.594 4.729 -11.391 525 HA SER 69 HA SER 69 14.897 6.499 -13.309 526 1HB SER 69 2HB SER 69 11.960 6.098 -13.083 527 2HB SER 69 1HB SER 69 12.527 7.760 -13.247 528 HG SER 69 HG SER 69 13.201 7.356 -15.228 529 H LYS 70 H LYS 70 15.109 5.836 -10.415 530 HA LYS 70 HA LYS 70 15.022 8.587 -9.439 531 1HB LYS 70 2HB LYS 70 13.887 6.256 -7.881 532 2HB LYS 70 1HB LYS 70 14.032 7.910 -7.304 533 1HG LYS 70 2HG LYS 70 12.390 7.124 -9.697 534 2HG LYS 70 1HG LYS 70 11.746 7.240 -8.057 535 1HD LYS 70 2HD LYS 70 12.475 9.602 -7.979 536 2HD LYS 70 1HD LYS 70 13.008 9.466 -9.656 537 1HE LYS 70 2HE LYS 70 10.202 8.748 -8.922 538 2HE LYS 70 1HE LYS 70 10.652 10.442 -9.106 539 1HZ LYS 70 1HZ LYS 70 11.097 10.170 -11.338 540 2HZ LYS 70 2HZ LYS 70 9.765 9.149 -11.131 541 3HZ LYS 70 3HZ LYS 70 11.323 8.498 -11.215 542 H LYS 71 H LYS 71 15.888 5.243 -8.571 543 HA LYS 71 HA LYS 71 18.162 6.190 -7.029 544 1HB LYS 71 2HB LYS 71 17.158 3.392 -7.576 545 2HB LYS 71 1HB LYS 71 18.491 3.791 -6.502 546 1HG LYS 71 2HG LYS 71 17.065 4.864 -4.965 547 2HG LYS 71 1HG LYS 71 15.724 4.888 -6.112 548 1HD LYS 71 2HD LYS 71 15.308 3.159 -4.503 549 2HD LYS 71 1HD LYS 71 15.711 2.396 -6.043 550 1HE LYS 71 2HE LYS 71 17.122 1.172 -4.790 551 2HE LYS 71 1HE LYS 71 18.165 2.587 -4.922 552 1HZ LYS 71 1HZ LYS 71 17.848 1.705 -2.622 553 2HZ LYS 71 2HZ LYS 71 16.232 2.196 -2.708 554 3HZ LYS 71 3HZ LYS 71 17.470 3.344 -2.805 555 H ARG 72 H ARG 72 20.326 5.380 -7.400 556 HA ARG 72 HA ARG 72 20.888 5.137 -10.268 557 1HB ARG 72 2HB ARG 72 22.668 5.890 -7.944 558 2HB ARG 72 1HB ARG 72 23.225 5.726 -9.602 559 1HG ARG 72 2HG ARG 72 21.733 7.523 -10.295 560 2HG ARG 72 1HG ARG 72 21.147 7.679 -8.637 561 1HD ARG 72 2HD ARG 72 23.999 8.090 -9.530 562 2HD ARG 72 1HD ARG 72 22.839 9.374 -9.198 563 HE ARG 72 HE ARG 72 23.076 8.988 -6.930 564 1HH1 ARG 72 1HH1 ARG 72 24.797 6.548 -8.744 565 2HH1 ARG 72 2HH1 ARG 72 25.654 5.952 -7.364 566 1HH2 ARG 72 1HH2 ARG 72 24.203 8.202 -5.119 567 2HH2 ARG 72 2HH2 ARG 72 25.318 6.890 -5.307 568 H LYS 73 H LYS 73 21.449 3.242 -11.092 569 HA LYS 73 HA LYS 73 22.563 1.195 -9.286 570 1HB LYS 73 2HB LYS 73 20.864 0.731 -11.743 571 2HB LYS 73 1HB LYS 73 21.478 -0.504 -10.652 572 1HG LYS 73 2HG LYS 73 19.605 1.682 -9.784 573 2HG LYS 73 1HG LYS 73 19.066 0.099 -10.353 574 1HD LYS 73 2HD LYS 73 19.203 -0.500 -8.195 575 2HD LYS 73 1HD LYS 73 20.941 -0.584 -8.490 576 1HE LYS 73 2HE LYS 73 21.355 1.206 -7.211 577 2HE LYS 73 1HE LYS 73 19.994 2.108 -7.874 578 1HZ LYS 73 1HZ LYS 73 18.519 1.079 -6.367 579 2HZ LYS 73 2HZ LYS 73 19.853 1.568 -5.449 580 3HZ LYS 73 3HZ LYS 73 19.673 -0.058 -5.877 581 H ASP 74 H ASP 74 24.191 -0.163 -10.098 582 HA ASP 74 HA ASP 74 25.387 0.662 -12.655 583 1HB ASP 74 2HB ASP 74 26.832 0.228 -10.036 584 2HB ASP 74 1HB ASP 74 27.639 0.391 -11.594 585 H ASN 75 H ASN 75 26.955 -0.946 -13.502 586 HA ASN 75 HA ASN 75 25.852 -3.615 -13.197 587 1HB ASN 75 2HB ASN 75 26.380 -2.471 -15.432 588 2HB ASN 75 1HB ASN 75 28.069 -2.816 -15.070 589 1HD2 ASN 75 1HD2 ASN 75 27.327 -3.896 -17.280 590 2HD2 ASN 75 2HD2 ASN 75 26.979 -5.582 -17.136 591 H GLU 76 H GLU 76 28.164 -1.949 -11.594 592 HA GLU 76 HA GLU 76 30.125 -4.096 -11.454 593 1HB GLU 76 2HB GLU 76 30.038 -1.392 -10.107 594 2HB GLU 76 1HB GLU 76 31.366 -2.538 -9.976 595 1HG GLU 76 2HG GLU 76 31.705 -2.384 -12.408 596 2HG GLU 76 1HG GLU 76 30.420 -1.181 -12.491 597 H GLY 77 H GLY 77 27.652 -4.913 -10.531 598 1HA GLY 77 2HA GLY 77 27.024 -6.282 -8.750 599 2HA GLY 77 1HA GLY 77 28.330 -5.600 -7.796 600 H ASN 78 H ASN 78 26.061 -3.541 -9.447 601 HA ASN 78 HA ASN 78 24.815 -2.904 -6.854 602 1HB ASN 78 2HB ASN 78 25.660 -1.062 -9.088 603 2HB ASN 78 1HB ASN 78 24.540 -0.566 -7.823 604 1HD2 ASN 78 1HD2 ASN 78 27.772 -0.935 -8.714 605 2HD2 ASN 78 2HD2 ASN 78 28.493 -0.574 -7.186 606 H GLU 79 H GLU 79 23.932 -4.782 -8.937 607 HA GLU 79 HA GLU 79 21.346 -3.517 -9.565 608 1HB GLU 79 2HB GLU 79 22.734 -3.833 -11.598 609 2HB GLU 79 1HB GLU 79 22.794 -5.558 -11.261 610 1HG GLU 79 2HG GLU 79 20.336 -5.646 -11.459 611 2HG GLU 79 1HG GLU 79 20.340 -3.940 -11.901 612 H VAL 80 H VAL 80 19.514 -4.739 -9.255 613 HA VAL 80 HA VAL 80 19.894 -7.431 -8.125 614 HB VAL 80 HB VAL 80 18.049 -6.989 -6.543 615 1HG1 VAL 80 1HG1 VAL 80 20.059 -6.792 -5.458 616 2HG1 VAL 80 2HG1 VAL 80 19.394 -5.179 -5.195 617 3HG1 VAL 80 3HG1 VAL 80 20.593 -5.444 -6.461 618 1HG2 VAL 80 1HG2 VAL 80 16.704 -5.297 -7.194 619 2HG2 VAL 80 2HG2 VAL 80 18.013 -4.418 -7.984 620 3HG2 VAL 80 3HG2 VAL 80 17.819 -4.323 -6.235 621 H VAL 81 H VAL 81 18.283 -8.939 -8.552 622 HA VAL 81 HA VAL 81 16.796 -8.476 -10.960 623 HB VAL 81 HB VAL 81 16.560 -10.897 -9.181 624 1HG1 VAL 81 1HG1 VAL 81 16.494 -11.097 -12.118 625 2HG1 VAL 81 2HG1 VAL 81 15.136 -10.249 -11.376 626 3HG1 VAL 81 3HG1 VAL 81 15.507 -11.907 -10.900 627 1HG2 VAL 81 1HG2 VAL 81 18.918 -10.543 -9.563 628 2HG2 VAL 81 2HG2 VAL 81 18.638 -10.314 -11.289 629 3HG2 VAL 81 3HG2 VAL 81 18.362 -11.893 -10.552 630 HA PRO 82 HA PRO 82 13.012 -8.874 -8.046 631 1HB PRO 82 2HB PRO 82 13.340 -8.833 -5.386 632 2HB PRO 82 1HB PRO 82 13.544 -10.320 -6.320 633 1HG PRO 82 2HG PRO 82 15.623 -8.460 -5.240 634 2HG PRO 82 1HG PRO 82 15.607 -10.232 -5.259 635 1HD PRO 82 2HD PRO 82 16.976 -8.685 -7.066 636 2HD PRO 82 1HD PRO 82 16.411 -10.333 -7.397 637 H LYS 83 H LYS 83 13.160 -6.679 -9.055 638 HA LYS 83 HA LYS 83 13.742 -4.485 -7.245 639 1HB LYS 83 2HB LYS 83 13.908 -4.783 -9.985 640 2HB LYS 83 1HB LYS 83 12.470 -3.792 -9.786 641 1HG LYS 83 2HG LYS 83 14.041 -2.159 -9.906 642 2HG LYS 83 1HG LYS 83 14.053 -2.439 -8.164 643 1HD LYS 83 2HD LYS 83 15.923 -4.106 -8.598 644 2HD LYS 83 1HD LYS 83 16.012 -3.423 -10.223 645 1HE LYS 83 2HE LYS 83 16.010 -1.466 -8.024 646 2HE LYS 83 1HE LYS 83 17.429 -2.511 -8.105 647 1HZ LYS 83 1HZ LYS 83 16.496 -1.235 -10.572 648 2HZ LYS 83 2HZ LYS 83 18.067 -1.646 -10.100 649 3HZ LYS 83 3HZ LYS 83 17.316 -0.281 -9.441 650 HA PRO 84 HA PRO 84 8.941 -3.832 -8.152 651 1HB PRO 84 2HB PRO 84 8.235 -6.688 -8.571 652 2HB PRO 84 1HB PRO 84 7.597 -5.243 -9.361 653 1HG PRO 84 2HG PRO 84 9.276 -6.868 -10.643 654 2HG PRO 84 1HG PRO 84 9.372 -5.108 -10.846 655 1HD PRO 84 2HD PRO 84 11.109 -6.930 -9.234 656 2HD PRO 84 1HD PRO 84 11.551 -5.500 -10.189 657 H GLN 85 H GLN 85 8.200 -3.463 -6.167 658 HA GLN 85 HA GLN 85 8.472 -5.554 -4.128 659 1HB GLN 85 2HB GLN 85 8.209 -2.567 -4.007 660 2HB GLN 85 1HB GLN 85 7.819 -3.550 -2.602 661 1HG GLN 85 2HG GLN 85 10.453 -3.717 -4.031 662 2HG GLN 85 1HG GLN 85 10.150 -2.610 -2.693 663 1HE2 GLN 85 1HE2 GLN 85 11.736 -5.241 -3.255 664 2HE2 GLN 85 2HE2 GLN 85 11.459 -6.154 -1.815 665 H ARG 86 H ARG 86 6.752 -6.680 -3.528 666 HA ARG 86 HA ARG 86 4.090 -5.646 -4.218 667 1HB ARG 86 2HB ARG 86 5.035 -8.463 -3.671 668 2HB ARG 86 1HB ARG 86 3.356 -8.021 -3.952 669 1HG ARG 86 2HG ARG 86 4.018 -7.146 -6.180 670 2HG ARG 86 1HG ARG 86 5.645 -7.764 -5.889 671 1HD ARG 86 2HD ARG 86 3.104 -9.385 -6.002 672 2HD ARG 86 1HD ARG 86 4.368 -9.335 -7.230 673 HE ARG 86 HE ARG 86 5.438 -10.112 -4.725 674 1HH1 ARG 86 1HH1 ARG 86 3.509 -11.310 -7.377 675 2HH1 ARG 86 2HH1 ARG 86 3.961 -12.962 -7.121 676 1HH2 ARG 86 1HH2 ARG 86 6.031 -12.285 -4.389 677 2HH2 ARG 86 2HH2 ARG 86 5.391 -13.517 -5.424 678 H HIS 87 H HIS 87 2.581 -5.274 -2.699 679 HA HIS 87 HA HIS 87 3.183 -6.067 0.071 680 1HB HIS 87 2HB HIS 87 2.331 -3.381 -0.983 681 2HB HIS 87 1HB HIS 87 1.998 -3.849 0.681 682 HD1 HIS 87 HD1 HIS 87 3.812 -3.415 2.323 683 HD2 HIS 87 HD2 HIS 87 5.212 -3.426 -1.590 684 HE1 HIS 87 HE1 HIS 87 6.222 -2.711 2.471 685 HE2 HIS 87 HE2 HIS 87 7.025 -2.642 0.082 686 H MET 88 H MET 88 1.685 -7.488 0.661 687 HA MET 88 HA MET 88 -1.032 -7.234 -0.407 688 1HB MET 88 2HB MET 88 0.163 -9.412 -0.635 689 2HB MET 88 1HB MET 88 0.194 -9.537 1.119 690 1HG MET 88 2HG MET 88 -2.292 -9.455 1.102 691 2HG MET 88 1HG MET 88 -2.232 -9.516 -0.659 692 1HE MET 88 1HE MET 88 -1.068 -12.937 -1.570 693 2HE MET 88 2HE MET 88 0.282 -11.926 -1.057 694 3HE MET 88 3HE MET 88 -1.057 -11.216 -1.959 695 H PHE 89 H PHE 89 -2.536 -6.312 0.803 696 HA PHE 89 HA PHE 89 -2.174 -6.283 3.724 697 1HB PHE 89 2HB PHE 89 -3.545 -4.336 1.871 698 2HB PHE 89 1HB PHE 89 -3.757 -4.298 3.619 699 HD1 PHE 89 HD1 PHE 89 -1.754 -3.923 5.075 700 HD2 PHE 89 HD2 PHE 89 -1.661 -3.383 0.855 701 HE1 PHE 89 HE1 PHE 89 0.284 -2.559 5.297 702 HE2 PHE 89 HE2 PHE 89 0.376 -2.023 1.068 703 HZ PHE 89 HZ PHE 89 1.353 -1.608 3.292 704 H SER 90 H SER 90 -4.061 -6.469 5.055 705 HA SER 90 HA SER 90 -6.292 -7.884 3.747 706 1HB SER 90 2HB SER 90 -5.903 -8.622 6.541 707 2HB SER 90 1HB SER 90 -6.079 -9.653 5.123 708 HG SER 90 HG SER 90 -3.946 -9.692 4.859 709 H PHE 91 H PHE 91 -8.160 -6.848 3.971 710 HA PHE 91 HA PHE 91 -8.416 -4.834 6.068 711 1HB PHE 91 2HB PHE 91 -9.744 -5.309 3.435 712 2HB PHE 91 1HB PHE 91 -10.596 -4.381 4.665 713 HD1 PHE 91 HD1 PHE 91 -7.614 -4.501 2.525 714 HD2 PHE 91 HD2 PHE 91 -9.934 -2.181 5.233 715 HE1 PHE 91 HE1 PHE 91 -6.343 -2.499 1.882 716 HE2 PHE 91 HE2 PHE 91 -8.666 -0.165 4.594 717 HZ PHE 91 HZ PHE 91 -6.868 -0.322 2.916 718 H ASN 92 H ASN 92 -9.869 -4.915 7.667 719 HA ASN 92 HA ASN 92 -11.394 -7.394 7.957 720 1HB ASN 92 2HB ASN 92 -11.592 -6.793 10.316 721 2HB ASN 92 1HB ASN 92 -9.904 -6.738 9.815 722 1HD2 ASN 92 1HD2 ASN 92 -10.677 -5.471 12.081 723 2HD2 ASN 92 2HD2 ASN 92 -10.612 -3.758 11.858 724 H ASN 93 H ASN 93 -11.988 -4.687 6.433 725 HA ASN 93 HA ASN 93 -14.811 -4.789 6.969 726 1HB ASN 93 2HB ASN 93 -13.972 -3.161 8.651 727 2HB ASN 93 1HB ASN 93 -13.341 -2.177 7.335 728 1HD2 ASN 93 1HD2 ASN 93 -16.355 -3.735 8.365 729 2HD2 ASN 93 2HD2 ASN 93 -17.389 -2.435 7.888 730 H ARG 94 H ARG 94 -15.715 -4.885 5.042 731 HA ARG 94 HA ARG 94 -14.405 -4.272 2.641 732 1HB ARG 94 2HB ARG 94 -16.444 -5.795 3.053 733 2HB ARG 94 1HB ARG 94 -17.400 -4.325 2.919 734 1HG ARG 94 2HG ARG 94 -15.486 -4.711 0.740 735 2HG ARG 94 1HG ARG 94 -16.730 -5.956 0.849 736 1HD ARG 94 2HD ARG 94 -17.137 -2.980 0.609 737 2HD ARG 94 1HD ARG 94 -17.514 -4.209 -0.598 738 HE ARG 94 HE ARG 94 -18.935 -4.809 1.731 739 1HH1 ARG 94 1HH1 ARG 94 -18.842 -2.349 -0.743 740 2HH1 ARG 94 2HH1 ARG 94 -20.525 -1.963 -0.597 741 1HH2 ARG 94 1HH2 ARG 94 -21.147 -4.302 1.924 742 2HH2 ARG 94 2HH2 ARG 94 -21.832 -3.072 0.918 743 H THR 95 H THR 95 -16.356 -2.326 4.772 744 HA THR 95 HA THR 95 -16.842 -0.237 2.913 745 HB THR 95 HB THR 95 -17.396 -0.797 5.729 746 HG1 THR 95 HG1 THR 95 -18.892 -0.693 3.890 747 1HG2 THR 95 1HG2 THR 95 -16.255 1.142 6.329 748 2HG2 THR 95 2HG2 THR 95 -17.943 1.636 6.182 749 3HG2 THR 95 3HG2 THR 95 -16.797 2.012 4.895 750 H VAL 96 H VAL 96 -14.582 -0.725 5.548 751 HA VAL 96 HA VAL 96 -13.214 1.727 5.230 752 HB VAL 96 HB VAL 96 -12.189 -0.832 6.463 753 1HG1 VAL 96 1HG1 VAL 96 -10.423 0.791 5.888 754 2HG1 VAL 96 2HG1 VAL 96 -10.589 0.558 7.628 755 3HG1 VAL 96 3HG1 VAL 96 -11.249 2.005 6.864 756 1HG2 VAL 96 1HG2 VAL 96 -12.952 1.271 8.301 757 2HG2 VAL 96 2HG2 VAL 96 -13.427 -0.427 8.271 758 3HG2 VAL 96 3HG2 VAL 96 -14.311 0.751 7.303 759 H MET 97 H MET 97 -12.917 -1.407 3.765 760 HA MET 97 HA MET 97 -10.352 -0.936 2.593 761 1HB MET 97 2HB MET 97 -10.485 -3.063 1.782 762 2HB MET 97 1HB MET 97 -11.693 -3.185 3.049 763 1HG MET 97 2HG MET 97 -12.890 -4.098 1.374 764 2HG MET 97 1HG MET 97 -13.276 -2.411 1.054 765 1HE MET 97 1HE MET 97 -12.957 -5.078 -1.643 766 2HE MET 97 2HE MET 97 -12.423 -5.523 -0.021 767 3HE MET 97 3HE MET 97 -11.265 -5.486 -1.352 768 H ASP 98 H ASP 98 -13.673 -0.402 1.622 769 HA ASP 98 HA ASP 98 -13.074 0.161 -1.102 770 1HB ASP 98 2HB ASP 98 -15.322 -0.574 -0.239 771 2HB ASP 98 1HB ASP 98 -15.511 1.037 0.448 772 H ASN 99 H ASN 99 -13.169 1.990 1.832 773 HA ASN 99 HA ASN 99 -13.227 4.563 0.622 774 1HB ASN 99 2HB ASN 99 -12.669 3.545 3.383 775 2HB ASN 99 1HB ASN 99 -12.314 5.222 2.981 776 1HD2 ASN 99 1HD2 ASN 99 -14.942 2.919 2.343 777 2HD2 ASN 99 2HD2 ASN 99 -16.217 3.988 2.805 778 H ILE 100 H ILE 100 -10.751 2.306 1.482 779 HA ILE 100 HA ILE 100 -8.597 4.210 1.110 780 HB ILE 100 HB ILE 100 -8.503 1.220 1.553 781 1HG1 ILE 100 2HG1 ILE 100 -9.475 2.569 3.426 782 2HG1 ILE 100 1HG1 ILE 100 -7.993 1.720 3.853 783 1HG2 ILE 100 1HG2 ILE 100 -6.492 1.894 0.469 784 2HG2 ILE 100 2HG2 ILE 100 -6.126 1.672 2.180 785 3HG2 ILE 100 3HG2 ILE 100 -6.324 3.297 1.524 786 1HD1 ILE 100 1HD1 ILE 100 -6.742 3.687 3.882 787 2HD1 ILE 100 2HD1 ILE 100 -8.268 4.118 4.655 788 3HD1 ILE 100 3HD1 ILE 100 -7.964 4.585 2.981 789 H LYS 101 H LYS 101 -9.940 1.390 -0.561 790 HA LYS 101 HA LYS 101 -8.074 1.196 -2.620 791 1HB LYS 101 2HB LYS 101 -9.772 -0.516 -2.172 792 2HB LYS 101 1HB LYS 101 -11.033 0.585 -2.711 793 1HG LYS 101 2HG LYS 101 -10.247 0.525 -4.950 794 2HG LYS 101 1HG LYS 101 -8.774 -0.322 -4.475 795 1HD LYS 101 2HD LYS 101 -10.135 -1.999 -5.375 796 2HD LYS 101 1HD LYS 101 -10.335 -2.169 -3.630 797 1HE LYS 101 2HE LYS 101 -12.449 -2.285 -5.005 798 2HE LYS 101 1HE LYS 101 -12.454 -1.129 -3.674 799 1HZ LYS 101 1HZ LYS 101 -11.669 -0.237 -6.364 800 2HZ LYS 101 2HZ LYS 101 -12.357 0.651 -5.100 801 3HZ LYS 101 3HZ LYS 101 -13.310 -0.421 -5.996 802 H MET 102 H MET 102 -10.960 3.218 -2.346 803 HA MET 102 HA MET 102 -10.728 4.238 -5.010 804 1HB MET 102 2HB MET 102 -12.386 5.132 -2.656 805 2HB MET 102 1HB MET 102 -12.485 5.860 -4.253 806 1HG MET 102 2HG MET 102 -13.116 3.648 -5.170 807 2HG MET 102 1HG MET 102 -13.133 3.014 -3.526 808 1HE MET 102 1HE MET 102 -16.449 2.638 -3.468 809 2HE MET 102 2HE MET 102 -15.180 2.178 -4.604 810 3HE MET 102 3HE MET 102 -16.551 3.141 -5.156 811 H THR 103 H THR 103 -9.884 5.388 -1.812 812 HA THR 103 HA THR 103 -9.046 7.957 -2.669 813 HB THR 103 HB THR 103 -9.679 7.128 -0.279 814 HG1 THR 103 HG1 THR 103 -7.510 8.894 -0.732 815 1HG2 THR 103 1HG2 THR 103 -6.820 7.024 0.339 816 2HG2 THR 103 2HG2 THR 103 -7.464 5.591 -0.457 817 3HG2 THR 103 3HG2 THR 103 -8.176 6.154 1.054 818 H LEU 104 H LEU 104 -7.495 4.850 -2.411 819 HA LEU 104 HA LEU 104 -4.822 5.811 -2.680 820 1HB LEU 104 2HB LEU 104 -6.123 3.121 -2.984 821 2HB LEU 104 1HB LEU 104 -4.442 3.357 -3.418 822 HG LEU 104 HG LEU 104 -5.644 3.789 -0.683 823 1HD1 LEU 104 1HD1 LEU 104 -3.774 1.679 -1.751 824 2HD1 LEU 104 2HD1 LEU 104 -5.445 1.443 -1.236 825 3HD1 LEU 104 3HD1 LEU 104 -4.211 1.888 -0.055 826 1HD2 LEU 104 1HD2 LEU 104 -3.896 5.381 -0.976 827 2HD2 LEU 104 2HD2 LEU 104 -2.843 4.177 -1.720 828 3HD2 LEU 104 3HD2 LEU 104 -3.247 4.057 -0.008 829 H GLN 105 H GLN 105 -7.356 4.825 -4.902 830 HA GLN 105 HA GLN 105 -5.739 4.683 -7.217 831 1HB GLN 105 2HB GLN 105 -8.688 5.024 -6.764 832 2HB GLN 105 1HB GLN 105 -8.012 5.111 -8.384 833 1HG GLN 105 2HG GLN 105 -7.073 2.857 -8.085 834 2HG GLN 105 1HG GLN 105 -7.831 2.775 -6.496 835 1HE2 GLN 105 1HE2 GLN 105 -10.277 3.810 -6.909 836 2HE2 GLN 105 2HE2 GLN 105 -11.167 2.848 -8.034 837 H GLN 106 H GLN 106 -7.313 7.293 -5.552 838 HA GLN 106 HA GLN 106 -7.156 9.218 -7.611 839 1HB GLN 106 2HB GLN 106 -7.214 9.563 -4.607 840 2HB GLN 106 1HB GLN 106 -7.383 10.881 -5.759 841 1HG GLN 106 2HG GLN 106 -9.417 9.883 -6.632 842 2HG GLN 106 1HG GLN 106 -9.237 8.520 -5.528 843 1HE2 GLN 106 1HE2 GLN 106 -11.523 10.062 -5.590 844 2HE2 GLN 106 2HE2 GLN 106 -11.650 10.951 -4.115 845 H ILE 107 H ILE 107 -4.951 8.318 -4.994 846 HA ILE 107 HA ILE 107 -3.038 10.320 -5.359 847 HB ILE 107 HB ILE 107 -2.638 7.453 -4.489 848 1HG1 ILE 107 2HG1 ILE 107 -2.788 9.930 -2.772 849 2HG1 ILE 107 1HG1 ILE 107 -4.205 8.959 -3.156 850 1HG2 ILE 107 1HG2 ILE 107 -0.713 9.228 -3.376 851 2HG2 ILE 107 2HG2 ILE 107 -0.711 9.424 -5.129 852 3HG2 ILE 107 3HG2 ILE 107 -0.458 7.829 -4.420 853 1HD1 ILE 107 1HD1 ILE 107 -2.368 7.113 -2.247 854 2HD1 ILE 107 2HD1 ILE 107 -3.724 7.786 -1.341 855 3HD1 ILE 107 3HD1 ILE 107 -2.122 8.513 -1.203 856 H ILE 108 H ILE 108 -3.415 7.168 -6.898 857 HA ILE 108 HA ILE 108 -1.126 7.039 -8.452 858 HB ILE 108 HB ILE 108 -3.811 6.244 -9.532 859 1HG1 ILE 108 2HG1 ILE 108 -3.927 5.369 -7.347 860 2HG1 ILE 108 1HG1 ILE 108 -3.391 4.028 -8.352 861 1HG2 ILE 108 1HG2 ILE 108 -0.992 5.362 -9.936 862 2HG2 ILE 108 2HG2 ILE 108 -2.211 5.824 -11.125 863 3HG2 ILE 108 3HG2 ILE 108 -2.332 4.272 -10.294 864 1HD1 ILE 108 1HD1 ILE 108 -1.564 5.750 -6.701 865 2HD1 ILE 108 2HD1 ILE 108 -1.136 4.285 -7.584 866 3HD1 ILE 108 3HD1 ILE 108 -2.212 4.192 -6.190 867 H SER 109 H SER 109 -4.253 8.358 -9.272 868 HA SER 109 HA SER 109 -3.655 9.347 -11.808 869 1HB SER 109 2HB SER 109 -5.950 9.151 -10.840 870 2HB SER 109 1HB SER 109 -5.606 10.569 -9.850 871 HG SER 109 HG SER 109 -6.097 10.374 -12.579 872 H ARG 110 H ARG 110 -2.905 10.608 -8.681 873 HA ARG 110 HA ARG 110 -2.333 13.260 -9.533 874 1HB ARG 110 2HB ARG 110 -2.454 13.573 -7.326 875 2HB ARG 110 1HB ARG 110 -2.453 11.837 -7.057 876 1HG ARG 110 2HG ARG 110 -0.009 11.842 -7.039 877 2HG ARG 110 1HG ARG 110 -0.015 13.587 -7.305 878 1HD ARG 110 2HD ARG 110 -1.175 12.140 -4.925 879 2HD ARG 110 1HD ARG 110 0.326 13.064 -4.949 880 HE ARG 110 HE ARG 110 -2.348 14.103 -4.780 881 1HH1 ARG 110 1HH1 ARG 110 0.943 14.811 -5.703 882 2HH1 ARG 110 2HH1 ARG 110 0.758 16.523 -5.518 883 1HH2 ARG 110 1HH2 ARG 110 -2.593 16.354 -4.535 884 2HH2 ARG 110 2HH2 ARG 110 -1.249 17.399 -4.854 885 H TYR 111 H TYR 111 -0.525 10.308 -9.231 886 HA TYR 111 HA TYR 111 2.050 11.483 -9.545 887 1HB TYR 111 2HB TYR 111 0.976 8.691 -9.680 888 2HB TYR 111 1HB TYR 111 2.609 9.021 -10.251 889 HD1 TYR 111 HD1 TYR 111 4.258 10.069 -8.638 890 HD2 TYR 111 HD2 TYR 111 0.524 8.461 -7.383 891 HE1 TYR 111 HE1 TYR 111 5.096 9.941 -6.330 892 HE2 TYR 111 HE2 TYR 111 1.353 8.329 -5.072 893 HH TYR 111 HH TYR 111 4.295 9.815 -4.083 894 H LYS 112 H LYS 112 -0.434 10.424 -11.703 895 HA LYS 112 HA LYS 112 1.151 10.264 -14.051 896 1HB LYS 112 2HB LYS 112 -1.821 10.630 -13.662 897 2HB LYS 112 1HB LYS 112 -1.063 10.392 -15.229 898 1HG LYS 112 2HG LYS 112 -0.176 8.222 -14.405 899 2HG LYS 112 1HG LYS 112 -1.106 8.458 -12.924 900 1HD LYS 112 2HD LYS 112 -2.701 8.826 -15.333 901 2HD LYS 112 1HD LYS 112 -1.990 7.215 -15.225 902 1HE LYS 112 2HE LYS 112 -2.877 7.545 -12.690 903 2HE LYS 112 1HE LYS 112 -4.077 8.483 -13.581 904 1HZ LYS 112 1HZ LYS 112 -5.034 6.458 -13.733 905 2HZ LYS 112 2HZ LYS 112 -3.575 5.612 -13.597 906 3HZ LYS 112 3HZ LYS 112 -4.014 6.311 -15.075 907 H ASP 113 H ASP 113 -0.774 12.807 -12.541 908 HA ASP 113 HA ASP 113 -0.673 14.692 -14.606 909 1HB ASP 113 2HB ASP 113 -2.113 14.847 -12.571 910 2HB ASP 113 1HB ASP 113 -0.681 15.267 -11.637 911 H ALA 114 H ALA 114 1.622 13.943 -12.043 912 HA ALA 114 HA ALA 114 3.330 16.145 -12.362 913 1HB ALA 114 1HB ALA 114 4.926 14.924 -11.096 914 2HB ALA 114 2HB ALA 114 4.198 13.381 -11.541 915 3HB ALA 114 3HB ALA 114 3.338 14.486 -10.470 916 H ASP 115 H ASP 115 3.068 13.123 -14.114 917 HA ASP 115 HA ASP 115 5.203 14.052 -15.922 918 1HB ASP 115 2HB ASP 115 4.514 11.219 -15.114 919 2HB ASP 115 1HB ASP 115 5.622 11.629 -16.420 Start of MODEL 15 1 HT1 PRO 1 HT2 PRO 1 -10.349 12.296 7.067 2 HT2 PRO 1 HT1 PRO 1 -10.775 11.532 5.604 3 HA PRO 1 HA PRO 1 -10.674 10.496 8.146 4 1HB PRO 1 2HB PRO 1 -13.218 9.568 7.595 5 2HB PRO 1 1HB PRO 1 -12.815 10.793 8.805 6 1HG PRO 1 2HG PRO 1 -13.855 11.138 6.034 7 2HG PRO 1 1HG PRO 1 -14.184 12.098 7.484 8 1HD PRO 1 2HD PRO 1 -12.515 12.938 5.504 9 2HD PRO 1 1HD PRO 1 -12.295 13.398 7.205 10 H SER 2 H SER 2 -11.986 10.168 4.907 11 HA SER 2 HA SER 2 -11.800 7.393 4.647 12 1HB SER 2 2HB SER 2 -11.477 9.459 2.458 13 2HB SER 2 1HB SER 2 -11.914 7.765 2.238 14 HG SER 2 HG SER 2 -13.781 8.996 2.218 15 H HIS 3 H HIS 3 -9.397 9.913 4.243 16 HA HIS 3 HA HIS 3 -7.422 8.455 2.914 17 1HB HIS 3 2HB HIS 3 -7.305 10.795 4.798 18 2HB HIS 3 1HB HIS 3 -5.838 10.091 4.125 19 HD1 HIS 3 HD1 HIS 3 -8.801 12.163 3.223 20 HD2 HIS 3 HD2 HIS 3 -5.450 10.542 1.373 21 HE1 HIS 3 HE1 HIS 3 -8.653 13.299 0.984 22 HE2 HIS 3 HE2 HIS 3 -6.669 12.239 -0.153 23 H SER 4 H SER 4 -8.471 8.357 6.197 24 HA SER 4 HA SER 4 -6.283 6.487 6.830 25 1HB SER 4 2HB SER 4 -6.581 7.140 9.205 26 2HB SER 4 1HB SER 4 -6.097 8.500 8.189 27 HG SER 4 HG SER 4 -8.262 9.177 8.165 28 H GLY 5 H GLY 5 -6.849 4.471 7.244 29 1HA GLY 5 2HA GLY 5 -9.390 3.849 8.499 30 2HA GLY 5 1HA GLY 5 -9.210 3.268 6.849 31 H ALA 6 H ALA 6 -9.499 1.730 9.332 32 HA ALA 6 HA ALA 6 -7.018 0.645 10.102 33 1HB ALA 6 1HB ALA 6 -8.316 -1.191 11.071 34 2HB ALA 6 2HB ALA 6 -9.762 -0.585 10.260 35 3HB ALA 6 3HB ALA 6 -8.971 0.390 11.502 36 H ALA 7 H ALA 7 -5.851 -1.044 9.387 37 HA ALA 7 HA ALA 7 -6.861 -2.825 7.362 38 1HB ALA 7 1HB ALA 7 -5.107 -2.307 5.721 39 2HB ALA 7 2HB ALA 7 -4.587 -0.956 6.730 40 3HB ALA 7 3HB ALA 7 -6.190 -0.941 5.994 41 H ILE 8 H ILE 8 -5.659 -4.726 7.122 42 HA ILE 8 HA ILE 8 -3.702 -5.187 9.250 43 HB ILE 8 HB ILE 8 -4.928 -7.205 7.380 44 1HG1 ILE 8 2HG1 ILE 8 -5.796 -6.690 10.213 45 2HG1 ILE 8 1HG1 ILE 8 -6.576 -5.917 8.831 46 1HG2 ILE 8 1HG2 ILE 8 -3.924 -7.873 10.095 47 2HG2 ILE 8 2HG2 ILE 8 -2.750 -7.610 8.807 48 3HG2 ILE 8 3HG2 ILE 8 -3.980 -8.859 8.634 49 1HD1 ILE 8 1HD1 ILE 8 -6.231 -8.871 8.882 50 2HD1 ILE 8 2HD1 ILE 8 -7.437 -7.885 8.047 51 3HD1 ILE 8 3HD1 ILE 8 -7.542 -8.114 9.795 52 H PHE 9 H PHE 9 -1.661 -5.907 8.895 53 HA PHE 9 HA PHE 9 -0.765 -6.403 6.172 54 1HB PHE 9 2HB PHE 9 -0.404 -3.999 6.456 55 2HB PHE 9 1HB PHE 9 0.498 -4.296 7.935 56 HD1 PHE 9 HD1 PHE 9 0.556 -5.649 4.458 57 HD2 PHE 9 HD2 PHE 9 2.745 -3.995 7.706 58 HE1 PHE 9 HE1 PHE 9 2.631 -5.841 3.147 59 HE2 PHE 9 HE2 PHE 9 4.827 -4.180 6.404 60 HZ PHE 9 HZ PHE 9 4.771 -5.104 4.121 61 H GLU 10 H GLU 10 -0.033 -8.398 6.431 62 HA GLU 10 HA GLU 10 1.414 -10.060 6.997 63 1HB GLU 10 2HB GLU 10 2.574 -8.203 9.070 64 2HB GLU 10 1HB GLU 10 3.300 -9.668 8.432 65 1HG GLU 10 2HG GLU 10 3.421 -8.594 6.211 66 2HG GLU 10 1HG GLU 10 2.799 -7.111 6.930 67 H LYS 11 H LYS 11 -1.096 -10.182 7.930 68 HA LYS 11 HA LYS 11 -2.419 -11.229 9.411 69 1HB LYS 11 2HB LYS 11 0.293 -12.218 10.089 70 2HB LYS 11 1HB LYS 11 -1.044 -12.645 11.151 71 1HG LYS 11 2HG LYS 11 -2.151 -13.823 9.458 72 2HG LYS 11 1HG LYS 11 -1.182 -13.069 8.190 73 1HD LYS 11 2HD LYS 11 -0.118 -14.973 10.278 74 2HD LYS 11 1HD LYS 11 -0.551 -15.425 8.628 75 1HE LYS 11 2HE LYS 11 1.648 -13.583 9.537 76 2HE LYS 11 1HE LYS 11 1.798 -15.100 8.650 77 1HZ LYS 11 1HZ LYS 11 1.086 -12.443 7.680 78 2HZ LYS 11 2HZ LYS 11 0.308 -13.755 6.949 79 3HZ LYS 11 3HZ LYS 11 1.998 -13.659 6.935 80 H VAL 12 H VAL 12 -0.974 -8.529 10.139 81 HA VAL 12 HA VAL 12 -1.936 -8.536 12.893 82 HB VAL 12 HB VAL 12 0.394 -6.948 11.820 83 1HG1 VAL 12 1HG1 VAL 12 -0.990 -5.727 13.481 84 2HG1 VAL 12 2HG1 VAL 12 0.652 -6.050 14.036 85 3HG1 VAL 12 3HG1 VAL 12 -0.688 -7.029 14.631 86 1HG2 VAL 12 1HG2 VAL 12 1.612 -8.260 13.642 87 2HG2 VAL 12 2HG2 VAL 12 1.181 -9.125 12.167 88 3HG2 VAL 12 3HG2 VAL 12 0.214 -9.334 13.626 89 H SER 13 H SER 13 -3.311 -6.871 13.431 90 HA SER 13 HA SER 13 -4.143 -5.205 11.167 91 1HB SER 13 2HB SER 13 -5.681 -5.516 13.740 92 2HB SER 13 1HB SER 13 -6.282 -5.075 12.142 93 HG SER 13 HG SER 13 -6.814 -7.201 12.493 94 H GLY 14 H GLY 14 -4.390 -3.040 11.285 95 1HA GLY 14 2HA GLY 14 -3.920 -1.538 13.681 96 2HA GLY 14 1HA GLY 14 -2.552 -1.493 12.573 97 H ILE 15 H ILE 15 -3.462 0.894 12.940 98 HA ILE 15 HA ILE 15 -5.596 1.463 11.042 99 HB ILE 15 HB ILE 15 -4.120 3.258 12.961 100 1HG1 ILE 15 2HG1 ILE 15 -6.309 1.466 13.241 101 2HG1 ILE 15 1HG1 ILE 15 -5.649 2.568 14.445 102 1HG2 ILE 15 1HG2 ILE 15 -6.370 3.923 11.061 103 2HG2 ILE 15 2HG2 ILE 15 -4.721 4.550 11.005 104 3HG2 ILE 15 3HG2 ILE 15 -5.784 4.980 12.347 105 1HD1 ILE 15 1HD1 ILE 15 -7.151 4.336 13.530 106 2HD1 ILE 15 2HD1 ILE 15 -7.986 2.967 14.262 107 3HD1 ILE 15 3HD1 ILE 15 -7.884 3.099 12.507 108 H ILE 16 H ILE 16 -5.269 2.098 9.053 109 HA ILE 16 HA ILE 16 -2.546 2.755 8.200 110 HB ILE 16 HB ILE 16 -4.791 1.292 7.029 111 1HG1 ILE 16 2HG1 ILE 16 -1.824 1.472 6.497 112 2HG1 ILE 16 1HG1 ILE 16 -2.689 0.229 7.389 113 1HG2 ILE 16 1HG2 ILE 16 -3.420 3.381 5.335 114 2HG2 ILE 16 2HG2 ILE 16 -5.149 3.182 5.620 115 3HG2 ILE 16 3HG2 ILE 16 -4.271 1.987 4.667 116 1HD1 ILE 16 1HD1 ILE 16 -3.770 0.339 4.771 117 2HD1 ILE 16 2HD1 ILE 16 -2.878 -0.970 5.548 118 3HD1 ILE 16 3HD1 ILE 16 -2.012 0.277 4.650 119 H ALA 17 H ALA 17 -2.064 4.816 7.854 120 HA ALA 17 HA ALA 17 -4.238 6.681 7.156 121 1HB ALA 17 1HB ALA 17 -1.691 7.225 8.677 122 2HB ALA 17 2HB ALA 17 -3.327 7.191 9.335 123 3HB ALA 17 3HB ALA 17 -2.862 8.449 8.190 124 H ILE 18 H ILE 18 -3.935 8.112 5.477 125 HA ILE 18 HA ILE 18 -1.627 7.543 3.760 126 HB ILE 18 HB ILE 18 -4.464 8.131 3.246 127 1HG1 ILE 18 2HG1 ILE 18 -2.427 6.872 1.421 128 2HG1 ILE 18 1HG1 ILE 18 -3.126 5.998 2.780 129 1HG2 ILE 18 1HG2 ILE 18 -2.307 9.451 1.631 130 2HG2 ILE 18 2HG2 ILE 18 -3.748 10.173 2.346 131 3HG2 ILE 18 3HG2 ILE 18 -3.899 9.087 0.965 132 1HD1 ILE 18 1HD1 ILE 18 -5.389 6.697 1.714 133 2HD1 ILE 18 2HD1 ILE 18 -4.474 5.347 1.042 134 3HD1 ILE 18 3HD1 ILE 18 -4.415 6.928 0.262 135 H ASN 19 H ASN 19 -0.044 8.974 3.915 136 HA ASN 19 HA ASN 19 -0.687 11.764 4.566 137 1HB ASN 19 2HB ASN 19 0.968 10.475 5.980 138 2HB ASN 19 1HB ASN 19 2.038 10.463 4.582 139 1HD2 ASN 19 1HD2 ASN 19 3.505 11.990 4.586 140 2HD2 ASN 19 2HD2 ASN 19 3.362 13.546 5.322 141 H GLU 20 H GLU 20 -0.966 12.984 2.831 142 HA GLU 20 HA GLU 20 0.784 12.558 0.506 143 1HB GLU 20 2HB GLU 20 -1.028 14.048 -0.624 144 2HB GLU 20 1HB GLU 20 -1.370 12.351 -0.324 145 1HG GLU 20 2HG GLU 20 -2.621 12.940 1.676 146 2HG GLU 20 1HG GLU 20 -2.251 14.643 1.415 147 H ASP 21 H ASP 21 0.464 14.498 3.156 148 HA ASP 21 HA ASP 21 0.850 17.081 2.127 149 1HB ASP 21 2HB ASP 21 1.635 15.870 4.779 150 2HB ASP 21 1HB ASP 21 1.759 17.587 4.412 151 H VAL 22 H VAL 22 2.965 14.392 2.341 152 HA VAL 22 HA VAL 22 5.319 16.070 2.092 153 HB VAL 22 HB VAL 22 5.104 13.909 3.559 154 1HG1 VAL 22 1HG1 VAL 22 6.352 12.505 1.285 155 2HG1 VAL 22 2HG1 VAL 22 4.597 12.671 1.261 156 3HG1 VAL 22 3HG1 VAL 22 5.389 11.876 2.621 157 1HG2 VAL 22 1HG2 VAL 22 7.220 15.391 2.543 158 2HG2 VAL 22 2HG2 VAL 22 7.685 13.708 2.297 159 3HG2 VAL 22 3HG2 VAL 22 7.261 14.278 3.911 160 H SER 23 H SER 23 6.890 14.294 0.567 161 HA SER 23 HA SER 23 5.627 13.695 -1.912 162 1HB SER 23 2HB SER 23 7.325 15.463 -3.039 163 2HB SER 23 1HB SER 23 5.640 15.836 -2.674 164 HG SER 23 HG SER 23 7.924 16.447 -1.108 165 HA PRO 24 HA PRO 24 5.755 12.227 -3.203 166 1HB PRO 24 2HB PRO 24 6.451 9.427 -2.786 167 2HB PRO 24 1HB PRO 24 6.203 10.298 -4.300 168 1HG PRO 24 2HG PRO 24 8.636 9.405 -3.501 169 2HG PRO 24 1HG PRO 24 8.419 10.856 -4.497 170 1HD PRO 24 2HD PRO 24 8.916 10.637 -1.550 171 2HD PRO 24 1HD PRO 24 9.609 11.774 -2.728 172 H ALA 25 H ALA 25 3.797 11.447 -2.396 173 HA ALA 25 HA ALA 25 3.340 11.593 0.342 174 1HB ALA 25 1HB ALA 25 1.537 11.873 -1.218 175 2HB ALA 25 2HB ALA 25 1.151 10.513 -0.163 176 3HB ALA 25 3HB ALA 25 1.724 10.221 -1.805 177 H GLU 26 H GLU 26 2.297 9.724 1.643 178 HA GLU 26 HA GLU 26 3.354 7.094 1.089 179 1HB GLU 26 2HB GLU 26 4.332 8.645 3.492 180 2HB GLU 26 1HB GLU 26 4.620 6.934 3.208 181 1HG GLU 26 2HG GLU 26 5.818 7.533 1.124 182 2HG GLU 26 1HG GLU 26 5.622 9.233 1.548 183 H LEU 27 H LEU 27 2.463 5.457 2.383 184 HA LEU 27 HA LEU 27 0.111 6.305 3.942 185 1HB LEU 27 2HB LEU 27 -0.335 4.984 1.883 186 2HB LEU 27 1HB LEU 27 0.598 3.664 2.562 187 HG LEU 27 HG LEU 27 -1.791 4.752 4.014 188 1HD1 LEU 27 1HD1 LEU 27 -3.050 2.850 2.925 189 2HD1 LEU 27 2HD1 LEU 27 -1.747 2.788 1.738 190 3HD1 LEU 27 3HD1 LEU 27 -2.721 4.250 1.904 191 1HD2 LEU 27 1HD2 LEU 27 -0.613 3.314 5.398 192 2HD2 LEU 27 2HD2 LEU 27 -0.147 2.252 4.068 193 3HD2 LEU 27 3HD2 LEU 27 -1.808 2.248 4.663 194 H THR 28 H THR 28 0.468 6.186 6.070 195 HA THR 28 HA THR 28 2.461 4.432 7.157 196 HB THR 28 HB THR 28 0.763 5.951 8.983 197 HG1 THR 28 HG1 THR 28 1.049 7.895 8.174 198 1HG2 THR 28 1HG2 THR 28 2.852 6.823 9.780 199 2HG2 THR 28 2HG2 THR 28 3.687 6.149 8.381 200 3HG2 THR 28 3HG2 THR 28 2.975 5.074 9.583 201 H TRP 29 H TRP 29 2.092 2.829 8.676 202 HA TRP 29 HA TRP 29 -0.678 1.988 9.120 203 1HB TRP 29 2HB TRP 29 0.261 0.541 7.379 204 2HB TRP 29 1HB TRP 29 1.642 0.174 8.413 205 HD1 TRP 29 HD1 TRP 29 -2.168 0.067 9.086 206 HE1 TRP 29 HE1 TRP 29 -2.744 -2.234 10.102 207 HE3 TRP 29 HE3 TRP 29 2.494 -2.028 9.043 208 HZ2 TRP 29 HZ2 TRP 29 -1.396 -4.593 10.791 209 HZ3 TRP 29 HZ3 TRP 29 2.761 -4.321 9.907 210 HH2 TRP 29 HH2 TRP 29 0.843 -5.582 10.760 211 H ARG 30 H ARG 30 -0.988 2.216 11.238 212 HA ARG 30 HA ARG 30 1.231 1.532 13.050 213 1HB ARG 30 2HB ARG 30 -1.231 3.240 13.455 214 2HB ARG 30 1HB ARG 30 -0.174 2.759 14.773 215 1HG ARG 30 2HG ARG 30 1.660 3.966 13.844 216 2HG ARG 30 1HG ARG 30 0.764 4.286 12.357 217 1HD ARG 30 2HD ARG 30 0.706 6.272 13.674 218 2HD ARG 30 1HD ARG 30 -0.900 5.550 13.731 219 HE ARG 30 HE ARG 30 -0.631 5.187 15.982 220 1HH1 ARG 30 1HH1 ARG 30 2.452 6.036 14.580 221 2HH1 ARG 30 2HH1 ARG 30 3.240 6.210 16.112 222 1HH2 ARG 30 1HH2 ARG 30 0.406 5.417 17.996 223 2HH2 ARG 30 2HH2 ARG 30 2.079 5.857 18.051 224 H SER 31 H SER 31 1.085 -0.281 14.261 225 HA SER 31 HA SER 31 -0.972 -2.132 13.889 226 1HB SER 31 2HB SER 31 1.048 -3.075 14.576 227 2HB SER 31 1HB SER 31 1.276 -1.895 15.867 228 HG SER 31 HG SER 31 0.023 -4.298 15.928 229 H THR 32 H THR 32 -2.413 -3.022 15.531 230 HA THR 32 HA THR 32 -4.129 -1.114 16.607 231 HB THR 32 HB THR 32 -3.766 -4.046 16.713 232 HG1 THR 32 HG1 THR 32 -5.110 -3.268 15.154 233 1HG2 THR 32 1HG2 THR 32 -4.199 -3.731 19.016 234 2HG2 THR 32 2HG2 THR 32 -5.669 -4.331 18.247 235 3HG2 THR 32 3HG2 THR 32 -5.527 -2.625 18.673 236 H ASP 33 H ASP 33 -1.410 -2.824 17.889 237 HA ASP 33 HA ASP 33 -1.850 -2.159 20.621 238 1HB ASP 33 2HB ASP 33 0.620 -3.131 19.186 239 2HB ASP 33 1HB ASP 33 0.503 -2.946 20.933 240 H GLY 34 H GLY 34 -0.152 -0.699 17.970 241 1HA GLY 34 2HA GLY 34 0.479 1.531 17.752 242 2HA GLY 34 1HA GLY 34 0.089 1.779 19.448 243 H ASP 35 H ASP 35 2.125 -0.849 18.498 244 HA ASP 35 HA ASP 35 4.412 0.544 19.701 245 1HB ASP 35 2HB ASP 35 3.783 -2.407 19.541 246 2HB ASP 35 1HB ASP 35 5.305 -1.757 20.143 247 H LYS 36 H LYS 36 3.229 -0.923 16.841 248 HA LYS 36 HA LYS 36 5.880 -0.615 15.602 249 1HB LYS 36 2HB LYS 36 4.108 -2.937 15.648 250 2HB LYS 36 1HB LYS 36 4.566 -2.463 14.017 251 1HG LYS 36 2HG LYS 36 6.925 -2.582 14.646 252 2HG LYS 36 1HG LYS 36 6.460 -3.069 16.278 253 1HD LYS 36 2HD LYS 36 5.336 -5.054 15.324 254 2HD LYS 36 1HD LYS 36 5.910 -4.580 13.724 255 1HE LYS 36 2HE LYS 36 7.466 -6.168 14.442 256 2HE LYS 36 1HE LYS 36 8.250 -4.620 14.759 257 1HZ LYS 36 1HZ LYS 36 8.159 -6.512 16.560 258 2HZ LYS 36 2HZ LYS 36 6.660 -5.810 16.906 259 3HZ LYS 36 3HZ LYS 36 8.068 -4.877 16.995 260 H VAL 37 H VAL 37 5.944 0.721 13.921 261 HA VAL 37 HA VAL 37 3.414 1.372 12.556 262 HB VAL 37 HB VAL 37 5.636 3.346 13.089 263 1HG1 VAL 37 1HG1 VAL 37 3.817 4.977 12.471 264 2HG1 VAL 37 2HG1 VAL 37 2.874 3.593 11.918 265 3HG1 VAL 37 3HG1 VAL 37 4.419 3.971 11.154 266 1HG2 VAL 37 1HG2 VAL 37 3.184 2.667 14.651 267 2HG2 VAL 37 2HG2 VAL 37 3.750 4.337 14.606 268 3HG2 VAL 37 3HG2 VAL 37 4.806 3.064 15.219 269 H HIS 38 H HIS 38 3.462 0.926 10.469 270 HA HIS 38 HA HIS 38 6.079 0.775 9.123 271 1HB HIS 38 2HB HIS 38 4.848 -1.339 9.135 272 2HB HIS 38 1HB HIS 38 3.483 -0.550 8.359 273 HD1 HIS 38 HD1 HIS 38 6.261 -2.599 7.555 274 HD2 HIS 38 HD2 HIS 38 4.403 0.635 5.724 275 HE1 HIS 38 HE1 HIS 38 6.954 -2.704 5.138 276 HE2 HIS 38 HE2 HIS 38 5.751 -0.786 4.035 277 H THR 39 H THR 39 6.427 1.784 7.227 278 HA THR 39 HA THR 39 4.359 3.704 6.370 279 HB THR 39 HB THR 39 7.333 4.042 5.998 280 HG1 THR 39 HG1 THR 39 7.453 4.921 7.911 281 1HG2 THR 39 1HG2 THR 39 6.807 6.396 5.734 282 2HG2 THR 39 2HG2 THR 39 5.090 6.043 5.925 283 3HG2 THR 39 3HG2 THR 39 5.969 5.419 4.529 284 H VAL 40 H VAL 40 3.696 3.654 4.315 285 HA VAL 40 HA VAL 40 5.150 1.896 2.446 286 HB VAL 40 HB VAL 40 2.201 2.541 2.381 287 1HG1 VAL 40 1HG1 VAL 40 3.483 1.861 0.259 288 2HG1 VAL 40 2HG1 VAL 40 2.003 0.989 0.657 289 3HG1 VAL 40 3HG1 VAL 40 3.572 0.262 1.000 290 1HG2 VAL 40 1HG2 VAL 40 1.738 0.470 3.397 291 2HG2 VAL 40 2HG2 VAL 40 2.995 1.207 4.391 292 3HG2 VAL 40 3HG2 VAL 40 3.410 -0.069 3.247 293 H VAL 41 H VAL 41 5.559 2.603 0.390 294 HA VAL 41 HA VAL 41 5.213 5.470 -0.059 295 HB VAL 41 HB VAL 41 6.816 3.521 -1.715 296 1HG1 VAL 41 1HG1 VAL 41 6.309 6.415 -1.809 297 2HG1 VAL 41 2HG1 VAL 41 6.788 5.300 -3.091 298 3HG1 VAL 41 3HG1 VAL 41 7.999 5.941 -1.982 299 1HG2 VAL 41 1HG2 VAL 41 7.819 5.332 0.477 300 2HG2 VAL 41 2HG2 VAL 41 8.770 4.206 -0.491 301 3HG2 VAL 41 3HG2 VAL 41 7.571 3.595 0.649 302 H LEU 42 H LEU 42 3.606 6.187 -1.277 303 HA LEU 42 HA LEU 42 2.069 4.354 -2.902 304 1HB LEU 42 2HB LEU 42 1.653 7.320 -2.611 305 2HB LEU 42 1HB LEU 42 0.482 6.120 -3.122 306 HG LEU 42 HG LEU 42 1.607 6.490 -0.348 307 1HD1 LEU 42 1HD1 LEU 42 -0.383 7.407 0.238 308 2HD1 LEU 42 2HD1 LEU 42 -1.290 6.484 -0.961 309 3HD1 LEU 42 3HD1 LEU 42 -0.356 7.897 -1.457 310 1HD2 LEU 42 1HD2 LEU 42 1.324 4.268 -0.167 311 2HD2 LEU 42 2HD2 LEU 42 0.330 4.173 -1.620 312 3HD2 LEU 42 3HD2 LEU 42 -0.390 4.670 -0.088 313 H SER 43 H SER 43 4.725 6.376 -3.413 314 HA SER 43 HA SER 43 4.103 7.103 -6.130 315 1HB SER 43 2HB SER 43 5.585 8.432 -4.525 316 2HB SER 43 1HB SER 43 6.824 7.217 -4.832 317 HG SER 43 HG SER 43 7.045 7.921 -6.846 318 H THR 44 H THR 44 5.638 4.471 -4.490 319 HA THR 44 HA THR 44 6.838 3.488 -6.957 320 HB THR 44 HB THR 44 8.148 3.414 -4.854 321 HG1 THR 44 HG1 THR 44 8.771 1.911 -6.313 322 1HG2 THR 44 1HG2 THR 44 5.987 2.713 -3.516 323 2HG2 THR 44 2HG2 THR 44 7.603 2.225 -3.001 324 3HG2 THR 44 3HG2 THR 44 6.580 1.093 -3.888 325 H ILE 45 H ILE 45 3.866 3.565 -6.308 326 HA ILE 45 HA ILE 45 3.227 0.711 -6.363 327 HB ILE 45 HB ILE 45 1.302 3.033 -6.294 328 1HG1 ILE 45 2HG1 ILE 45 2.726 3.142 -4.327 329 2HG1 ILE 45 1HG1 ILE 45 1.127 2.570 -3.864 330 1HG2 ILE 45 1HG2 ILE 45 0.925 0.131 -5.571 331 2HG2 ILE 45 2HG2 ILE 45 0.392 0.884 -7.075 332 3HG2 ILE 45 3HG2 ILE 45 -0.308 1.392 -5.538 333 1HD1 ILE 45 1HD1 ILE 45 3.689 1.038 -4.047 334 2HD1 ILE 45 2HD1 ILE 45 2.126 0.222 -4.065 335 3HD1 ILE 45 3HD1 ILE 45 2.590 1.211 -2.679 336 H ASP 46 H ASP 46 3.599 -0.044 -8.379 337 HA ASP 46 HA ASP 46 3.225 1.341 -10.778 338 1HB ASP 46 2HB ASP 46 4.390 -0.969 -10.224 339 2HB ASP 46 1HB ASP 46 2.820 -1.619 -10.693 340 H LYS 47 H LYS 47 0.976 -0.328 -8.721 341 HA LYS 47 HA LYS 47 -1.281 0.815 -9.938 342 1HB LYS 47 2HB LYS 47 -0.340 -1.629 -11.163 343 2HB LYS 47 1HB LYS 47 -1.947 -1.857 -10.487 344 1HG LYS 47 2HG LYS 47 -2.822 -0.049 -11.790 345 2HG LYS 47 1HG LYS 47 -1.206 0.383 -12.354 346 1HD LYS 47 2HD LYS 47 -2.390 -0.849 -14.075 347 2HD LYS 47 1HD LYS 47 -1.034 -1.802 -13.471 348 1HE LYS 47 2HE LYS 47 -2.591 -3.036 -12.010 349 2HE LYS 47 1HE LYS 47 -3.931 -2.118 -12.694 350 1HZ LYS 47 1HZ LYS 47 -2.189 -4.087 -14.057 351 2HZ LYS 47 2HZ LYS 47 -3.180 -3.016 -14.911 352 3HZ LYS 47 3HZ LYS 47 -3.868 -4.142 -13.852 353 H LEU 48 H LEU 48 -3.333 -0.055 -9.035 354 HA LEU 48 HA LEU 48 -2.855 -1.076 -6.325 355 1HB LEU 48 2HB LEU 48 -4.901 0.717 -7.535 356 2HB LEU 48 1HB LEU 48 -5.377 -0.263 -6.162 357 HG LEU 48 HG LEU 48 -3.060 0.821 -5.233 358 1HD1 LEU 48 1HD1 LEU 48 -3.700 3.360 -5.875 359 2HD1 LEU 48 2HD1 LEU 48 -4.063 2.544 -7.397 360 3HD1 LEU 48 3HD1 LEU 48 -2.451 2.420 -6.693 361 1HD2 LEU 48 1HD2 LEU 48 -5.676 0.826 -4.528 362 2HD2 LEU 48 2HD2 LEU 48 -5.417 2.538 -4.864 363 3HD2 LEU 48 3HD2 LEU 48 -4.412 1.712 -3.673 364 H GLN 49 H GLN 49 -3.829 -2.904 -5.584 365 HA GLN 49 HA GLN 49 -5.625 -4.323 -7.435 366 1HB GLN 49 2HB GLN 49 -3.104 -5.129 -7.076 367 2HB GLN 49 1HB GLN 49 -3.827 -5.910 -5.676 368 1HG GLN 49 2HG GLN 49 -4.082 -7.575 -7.185 369 2HG GLN 49 1HG GLN 49 -5.584 -6.704 -7.485 370 1HE2 GLN 49 1HE2 GLN 49 -6.009 -6.167 -9.504 371 2HE2 GLN 49 2HE2 GLN 49 -4.867 -6.097 -10.798 372 H ALA 50 H ALA 50 -7.386 -5.296 -6.547 373 HA ALA 50 HA ALA 50 -7.586 -5.416 -3.623 374 1HB ALA 50 1HB ALA 50 -9.988 -4.491 -5.103 375 2HB ALA 50 2HB ALA 50 -8.687 -3.332 -4.830 376 3HB ALA 50 3HB ALA 50 -9.459 -4.129 -3.460 377 H THR 51 H THR 51 -9.200 -6.876 -2.835 378 HA THR 51 HA THR 51 -9.392 -9.257 -4.380 379 HB THR 51 HB THR 51 -11.020 -9.858 -2.403 380 HG1 THR 51 HG1 THR 51 -11.315 -8.279 -1.080 381 1HG2 THR 51 1HG2 THR 51 -8.077 -9.367 -2.055 382 2HG2 THR 51 2HG2 THR 51 -8.881 -10.877 -2.485 383 3HG2 THR 51 3HG2 THR 51 -9.082 -10.200 -0.868 384 HA PRO 52 HA PRO 52 -13.199 -8.662 -6.521 385 1HB PRO 52 2HB PRO 52 -14.191 -11.195 -6.558 386 2HB PRO 52 1HB PRO 52 -12.835 -10.675 -7.565 387 1HG PRO 52 2HG PRO 52 -12.802 -12.166 -4.969 388 2HG PRO 52 1HG PRO 52 -11.843 -12.447 -6.434 389 1HD PRO 52 2HD PRO 52 -10.843 -11.158 -4.281 390 2HD PRO 52 1HD PRO 52 -10.357 -10.752 -5.939 391 H ALA 53 H ALA 53 -15.425 -8.453 -6.225 392 HA ALA 53 HA ALA 53 -16.311 -8.132 -3.563 393 1HB ALA 53 1HB ALA 53 -18.372 -8.357 -5.655 394 2HB ALA 53 2HB ALA 53 -17.121 -7.147 -5.936 395 3HB ALA 53 3HB ALA 53 -18.091 -7.087 -4.465 396 H SER 54 H SER 54 -16.170 -10.884 -5.565 397 HA SER 54 HA SER 54 -18.360 -12.257 -4.234 398 1HB SER 54 2HB SER 54 -16.429 -13.124 -6.391 399 2HB SER 54 1HB SER 54 -17.678 -14.169 -5.719 400 HG SER 54 HG SER 54 -18.991 -13.262 -7.066 401 H SER 55 H SER 55 -15.278 -11.550 -3.385 402 HA SER 55 HA SER 55 -14.816 -14.127 -2.053 403 1HB SER 55 2HB SER 55 -12.981 -11.913 -2.921 404 2HB SER 55 1HB SER 55 -12.492 -13.025 -1.642 405 HG SER 55 HG SER 55 -11.811 -14.046 -3.409 406 H GLU 56 H GLU 56 -15.533 -14.200 -0.045 407 HA GLU 56 HA GLU 56 -16.310 -12.010 1.495 408 1HB GLU 56 2HB GLU 56 -15.490 -14.783 2.372 409 2HB GLU 56 1HB GLU 56 -16.283 -13.606 3.410 410 1HG GLU 56 2HG GLU 56 -17.428 -14.790 0.891 411 2HG GLU 56 1HG GLU 56 -17.859 -15.243 2.539 412 H LYS 57 H LYS 57 -13.196 -13.263 0.856 413 HA LYS 57 HA LYS 57 -11.968 -12.164 3.237 414 1HB LYS 57 2HB LYS 57 -10.784 -13.413 0.752 415 2HB LYS 57 1HB LYS 57 -9.840 -12.875 2.134 416 1HG LYS 57 2HG LYS 57 -11.096 -14.466 3.555 417 2HG LYS 57 1HG LYS 57 -11.912 -15.058 2.107 418 1HD LYS 57 2HD LYS 57 -9.701 -15.638 1.152 419 2HD LYS 57 1HD LYS 57 -8.949 -15.145 2.671 420 1HE LYS 57 2HE LYS 57 -10.846 -16.859 3.567 421 2HE LYS 57 1HE LYS 57 -10.464 -17.577 2.003 422 1HZ LYS 57 1HZ LYS 57 -8.399 -18.146 2.667 423 2HZ LYS 57 2HZ LYS 57 -9.102 -18.109 4.206 424 3HZ LYS 57 3HZ LYS 57 -8.203 -16.786 3.656 425 H MET 58 H MET 58 -11.704 -10.043 3.411 426 HA MET 58 HA MET 58 -11.440 -8.383 1.040 427 1HB MET 58 2HB MET 58 -11.727 -7.757 3.976 428 2HB MET 58 1HB MET 58 -11.445 -6.514 2.764 429 1HG MET 58 2HG MET 58 -13.511 -7.008 1.679 430 2HG MET 58 1HG MET 58 -13.765 -8.424 2.697 431 1HE MET 58 1HE MET 58 -13.956 -8.342 5.209 432 2HE MET 58 2HE MET 58 -14.594 -6.985 6.140 433 3HE MET 58 3HE MET 58 -12.884 -7.033 5.710 434 H MET 59 H MET 59 -9.515 -7.994 0.186 435 HA MET 59 HA MET 59 -7.272 -7.323 1.903 436 1HB MET 59 2HB MET 59 -7.131 -9.606 -0.075 437 2HB MET 59 1HB MET 59 -5.755 -8.923 0.782 438 1HG MET 59 2HG MET 59 -6.848 -9.567 2.919 439 2HG MET 59 1HG MET 59 -8.097 -10.381 1.980 440 1HE MET 59 1HE MET 59 -3.671 -11.636 2.220 441 2HE MET 59 2HE MET 59 -4.453 -10.578 3.394 442 3HE MET 59 3HE MET 59 -4.211 -10.028 1.736 443 H LEU 60 H LEU 60 -6.013 -5.785 1.018 444 HA LEU 60 HA LEU 60 -6.436 -5.168 -1.834 445 1HB LEU 60 2HB LEU 60 -7.289 -3.474 -0.199 446 2HB LEU 60 1HB LEU 60 -5.641 -3.248 0.356 447 HG LEU 60 HG LEU 60 -5.119 -2.666 -2.112 448 1HD1 LEU 60 1HD1 LEU 60 -6.872 -1.943 -3.479 449 2HD1 LEU 60 2HD1 LEU 60 -8.032 -1.951 -2.151 450 3HD1 LEU 60 3HD1 LEU 60 -7.439 -3.474 -2.812 451 1HD2 LEU 60 1HD2 LEU 60 -4.932 -1.002 -0.441 452 2HD2 LEU 60 2HD2 LEU 60 -6.681 -0.907 -0.236 453 3HD2 LEU 60 3HD2 LEU 60 -5.934 -0.310 -1.718 454 H ARG 61 H ARG 61 -4.739 -5.760 -3.006 455 HA ARG 61 HA ARG 61 -2.069 -5.681 -1.792 456 1HB ARG 61 2HB ARG 61 -2.888 -7.829 -2.777 457 2HB ARG 61 1HB ARG 61 -2.925 -7.042 -4.349 458 1HG ARG 61 2HG ARG 61 -0.481 -6.592 -4.091 459 2HG ARG 61 1HG ARG 61 -0.515 -7.593 -2.638 460 1HD ARG 61 2HD ARG 61 -1.154 -8.435 -5.460 461 2HD ARG 61 1HD ARG 61 0.214 -8.949 -4.474 462 HE ARG 61 HE ARG 61 -1.904 -9.734 -3.004 463 1HH1 ARG 61 1HH1 ARG 61 -1.054 -10.206 -6.356 464 2HH1 ARG 61 2HH1 ARG 61 -1.865 -11.730 -6.477 465 1HH2 ARG 61 1HH2 ARG 61 -2.971 -11.740 -3.162 466 2HH2 ARG 61 2HH2 ARG 61 -2.954 -12.602 -4.664 467 H LEU 62 H LEU 62 -0.486 -4.405 -2.543 468 HA LEU 62 HA LEU 62 -1.141 -2.655 -4.820 469 1HB LEU 62 2HB LEU 62 -0.131 -2.114 -2.174 470 2HB LEU 62 1HB LEU 62 1.005 -1.542 -3.381 471 HG LEU 62 HG LEU 62 -0.833 -0.254 -4.447 472 1HD1 LEU 62 1HD1 LEU 62 -2.791 -1.382 -3.845 473 2HD1 LEU 62 2HD1 LEU 62 -2.850 0.125 -2.930 474 3HD1 LEU 62 3HD1 LEU 62 -2.375 -1.374 -2.132 475 1HD2 LEU 62 1HD2 LEU 62 0.711 0.424 -2.343 476 2HD2 LEU 62 2HD2 LEU 62 -0.892 0.692 -1.658 477 3HD2 LEU 62 3HD2 LEU 62 -0.412 1.529 -3.134 478 H ILE 63 H ILE 63 0.094 -2.746 -6.575 479 HA ILE 63 HA ILE 63 2.361 -4.557 -6.605 480 HB ILE 63 HB ILE 63 1.386 -2.941 -8.949 481 1HG1 ILE 63 2HG1 ILE 63 -0.593 -4.019 -8.114 482 2HG1 ILE 63 1HG1 ILE 63 -0.036 -4.937 -9.509 483 1HG2 ILE 63 1HG2 ILE 63 2.404 -5.725 -9.131 484 2HG2 ILE 63 2HG2 ILE 63 3.562 -4.439 -8.792 485 3HG2 ILE 63 3HG2 ILE 63 2.579 -4.378 -10.255 486 1HD1 ILE 63 1HD1 ILE 63 0.509 -5.687 -6.647 487 2HD1 ILE 63 2HD1 ILE 63 0.879 -6.638 -8.087 488 3HD1 ILE 63 3HD1 ILE 63 -0.799 -6.343 -7.632 489 H GLY 64 H GLY 64 4.432 -3.967 -6.519 490 1HA GLY 64 2HA GLY 64 5.119 -1.190 -6.215 491 2HA GLY 64 1HA GLY 64 6.226 -2.553 -6.149 492 H LYS 65 H LYS 65 6.633 -0.015 -7.469 493 HA LYS 65 HA LYS 65 6.262 -0.303 -10.271 494 1HB LYS 65 2HB LYS 65 7.628 1.586 -8.465 495 2HB LYS 65 1HB LYS 65 8.317 1.466 -10.079 496 1HG LYS 65 2HG LYS 65 6.159 1.998 -11.060 497 2HG LYS 65 1HG LYS 65 5.435 2.073 -9.451 498 1HD LYS 65 2HD LYS 65 5.855 4.295 -9.782 499 2HD LYS 65 1HD LYS 65 7.387 3.815 -9.051 500 1HE LYS 65 2HE LYS 65 7.014 3.723 -12.020 501 2HE LYS 65 1HE LYS 65 7.408 5.240 -11.213 502 1HZ LYS 65 1HZ LYS 65 9.472 4.422 -11.723 503 2HZ LYS 65 2HZ LYS 65 9.033 2.806 -11.482 504 3HZ LYS 65 3HZ LYS 65 9.282 3.821 -10.152 505 H VAL 66 H VAL 66 8.147 -0.270 -11.812 506 HA VAL 66 HA VAL 66 10.074 -2.347 -11.005 507 HB VAL 66 HB VAL 66 9.263 -1.632 -13.824 508 1HG1 VAL 66 1HG1 VAL 66 10.348 -3.670 -14.455 509 2HG1 VAL 66 2HG1 VAL 66 10.628 -4.103 -12.768 510 3HG1 VAL 66 3HG1 VAL 66 11.476 -2.729 -13.479 511 1HG2 VAL 66 1HG2 VAL 66 8.302 -3.996 -12.224 512 2HG2 VAL 66 2HG2 VAL 66 7.771 -3.485 -13.827 513 3HG2 VAL 66 3HG2 VAL 66 7.375 -2.507 -12.413 514 H ASP 67 H ASP 67 12.217 -1.974 -11.154 515 HA ASP 67 HA ASP 67 13.054 0.641 -12.217 516 1HB ASP 67 2HB ASP 67 14.238 -1.028 -9.992 517 2HB ASP 67 1HB ASP 67 15.006 0.413 -10.653 518 H GLU 68 H GLU 68 12.796 -1.337 -14.057 519 HA GLU 68 HA GLU 68 15.543 -2.283 -14.519 520 1HB GLU 68 2HB GLU 68 14.628 -4.016 -15.919 521 2HB GLU 68 1HB GLU 68 13.776 -4.035 -14.381 522 1HG GLU 68 2HG GLU 68 11.949 -2.729 -15.452 523 2HG GLU 68 1HG GLU 68 12.786 -2.919 -16.992 524 H SER 69 H SER 69 14.782 0.388 -15.043 525 HA SER 69 HA SER 69 15.173 0.440 -17.954 526 1HB SER 69 2HB SER 69 13.091 1.865 -16.352 527 2HB SER 69 1HB SER 69 13.788 2.691 -17.746 528 HG SER 69 HG SER 69 13.222 0.773 -18.968 529 H LYS 70 H LYS 70 16.966 0.713 -15.592 530 HA LYS 70 HA LYS 70 17.796 3.508 -15.785 531 1HB LYS 70 2HB LYS 70 18.695 1.259 -13.980 532 2HB LYS 70 1HB LYS 70 19.401 2.869 -13.965 533 1HG LYS 70 2HG LYS 70 17.180 3.797 -13.402 534 2HG LYS 70 1HG LYS 70 16.551 2.150 -13.315 535 1HD LYS 70 2HD LYS 70 18.233 1.656 -11.558 536 2HD LYS 70 1HD LYS 70 18.725 3.349 -11.600 537 1HE LYS 70 2HE LYS 70 16.035 2.241 -10.817 538 2HE LYS 70 1HE LYS 70 17.205 3.048 -9.773 539 1HZ LYS 70 1HZ LYS 70 15.370 4.193 -11.744 540 2HZ LYS 70 2HZ LYS 70 16.861 4.959 -11.521 541 3HZ LYS 70 3HZ LYS 70 15.806 4.767 -10.214 542 H LYS 71 H LYS 71 19.590 0.431 -15.650 543 HA LYS 71 HA LYS 71 21.153 1.318 -17.975 544 1HB LYS 71 2HB LYS 71 23.203 0.426 -16.871 545 2HB LYS 71 1HB LYS 71 22.530 1.840 -16.073 546 1HG LYS 71 2HG LYS 71 21.729 -0.859 -15.110 547 2HG LYS 71 1HG LYS 71 23.333 -0.244 -14.701 548 1HD LYS 71 2HD LYS 71 22.239 1.819 -13.819 549 2HD LYS 71 1HD LYS 71 20.676 1.042 -14.086 550 1HE LYS 71 2HE LYS 71 20.924 -0.368 -12.330 551 2HE LYS 71 1HE LYS 71 22.667 -0.509 -12.552 552 1HZ LYS 71 1HZ LYS 71 21.696 2.089 -11.684 553 2HZ LYS 71 2HZ LYS 71 23.068 1.228 -11.198 554 3HZ LYS 71 3HZ LYS 71 21.553 0.836 -10.556 555 H ARG 72 H ARG 72 22.178 -0.390 -19.162 556 HA ARG 72 HA ARG 72 20.790 -2.962 -18.828 557 1HB ARG 72 2HB ARG 72 22.021 -1.690 -21.277 558 2HB ARG 72 1HB ARG 72 21.364 -3.321 -21.239 559 1HG ARG 72 2HG ARG 72 19.588 -2.162 -22.086 560 2HG ARG 72 1HG ARG 72 19.217 -2.109 -20.363 561 1HD ARG 72 2HD ARG 72 20.283 0.113 -20.235 562 2HD ARG 72 1HD ARG 72 20.557 0.058 -21.976 563 HE ARG 72 HE ARG 72 17.878 -0.340 -21.718 564 1HH1 ARG 72 1HH1 ARG 72 20.090 2.119 -20.604 565 2HH1 ARG 72 2HH1 ARG 72 18.902 3.379 -20.634 566 1HH2 ARG 72 1HH2 ARG 72 16.315 1.316 -21.758 567 2HH2 ARG 72 2HH2 ARG 72 16.758 2.924 -21.289 568 H LYS 73 H LYS 73 21.938 -4.630 -18.137 569 HA LYS 73 HA LYS 73 24.772 -4.823 -18.844 570 1HB LYS 73 2HB LYS 73 25.422 -5.379 -16.577 571 2HB LYS 73 1HB LYS 73 24.648 -3.799 -16.596 572 1HG LYS 73 2HG LYS 73 22.547 -4.874 -15.837 573 2HG LYS 73 1HG LYS 73 23.422 -6.402 -15.705 574 1HD LYS 73 2HD LYS 73 25.026 -5.185 -14.162 575 2HD LYS 73 1HD LYS 73 23.851 -3.869 -14.135 576 1HE LYS 73 2HE LYS 73 23.141 -5.030 -12.308 577 2HE LYS 73 1HE LYS 73 22.197 -5.850 -13.550 578 1HZ LYS 73 1HZ LYS 73 24.841 -6.939 -13.047 579 2HZ LYS 73 2HZ LYS 73 23.376 -7.738 -13.326 580 3HZ LYS 73 3HZ LYS 73 23.724 -7.124 -11.789 581 H ASP 74 H ASP 74 25.547 -7.076 -17.727 582 HA ASP 74 HA ASP 74 23.730 -9.186 -17.555 583 1HB ASP 74 2HB ASP 74 24.259 -8.356 -20.243 584 2HB ASP 74 1HB ASP 74 24.958 -9.953 -19.996 585 H ASN 75 H ASN 75 26.913 -8.201 -18.609 586 HA ASN 75 HA ASN 75 29.002 -8.950 -18.118 587 1HB ASN 75 2HB ASN 75 27.517 -10.140 -15.783 588 2HB ASN 75 1HB ASN 75 29.267 -10.227 -15.954 589 1HD2 ASN 75 1HD2 ASN 75 28.243 -9.053 -13.763 590 2HD2 ASN 75 2HD2 ASN 75 28.479 -7.342 -13.823 591 H GLU 76 H GLU 76 27.243 -11.737 -16.920 592 HA GLU 76 HA GLU 76 28.481 -13.363 -19.043 593 1HB GLU 76 2HB GLU 76 27.930 -14.066 -16.160 594 2HB GLU 76 1HB GLU 76 28.365 -15.257 -17.379 595 1HG GLU 76 2HG GLU 76 30.480 -14.070 -17.757 596 2HG GLU 76 1HG GLU 76 30.045 -12.923 -16.490 597 H GLY 77 H GLY 77 25.989 -12.083 -19.332 598 1HA GLY 77 2HA GLY 77 23.901 -12.584 -20.153 599 2HA GLY 77 1HA GLY 77 24.386 -14.273 -20.153 600 H ASN 78 H ASN 78 24.403 -12.291 -17.269 601 HA ASN 78 HA ASN 78 21.982 -13.663 -16.326 602 1HB ASN 78 2HB ASN 78 23.013 -14.048 -14.149 603 2HB ASN 78 1HB ASN 78 23.967 -14.814 -15.415 604 1HD2 ASN 78 1HD2 ASN 78 25.129 -14.408 -13.040 605 2HD2 ASN 78 2HD2 ASN 78 26.294 -13.135 -13.132 606 H GLU 79 H GLU 79 21.722 -11.203 -17.304 607 HA GLU 79 HA GLU 79 22.237 -9.027 -15.642 608 1HB GLU 79 2HB GLU 79 21.430 -8.884 -17.991 609 2HB GLU 79 1HB GLU 79 19.840 -9.397 -17.445 610 1HG GLU 79 2HG GLU 79 19.732 -7.397 -16.001 611 2HG GLU 79 1HG GLU 79 21.278 -6.871 -16.665 612 H VAL 80 H VAL 80 19.764 -11.477 -15.470 613 HA VAL 80 HA VAL 80 18.237 -11.997 -13.863 614 HB VAL 80 HB VAL 80 19.564 -9.899 -12.145 615 1HG1 VAL 80 1HG1 VAL 80 18.472 -12.376 -10.986 616 2HG1 VAL 80 2HG1 VAL 80 17.283 -11.257 -11.656 617 3HG1 VAL 80 3HG1 VAL 80 18.395 -10.713 -10.399 618 1HG2 VAL 80 1HG2 VAL 80 20.511 -12.527 -13.048 619 2HG2 VAL 80 2HG2 VAL 80 20.597 -12.270 -11.305 620 3HG2 VAL 80 3HG2 VAL 80 21.411 -11.155 -12.403 621 H VAL 81 H VAL 81 16.347 -11.324 -14.736 622 HA VAL 81 HA VAL 81 15.577 -8.616 -15.030 623 HB VAL 81 HB VAL 81 13.310 -9.509 -15.474 624 1HG1 VAL 81 1HG1 VAL 81 14.423 -9.474 -17.451 625 2HG1 VAL 81 2HG1 VAL 81 14.226 -11.221 -17.307 626 3HG1 VAL 81 3HG1 VAL 81 15.752 -10.464 -16.848 627 1HG2 VAL 81 1HG2 VAL 81 14.501 -11.906 -14.243 628 2HG2 VAL 81 2HG2 VAL 81 13.501 -12.192 -15.668 629 3HG2 VAL 81 3HG2 VAL 81 12.826 -11.354 -14.269 630 HA PRO 82 HA PRO 82 14.696 -7.930 -10.649 631 1HB PRO 82 2HB PRO 82 13.521 -5.453 -11.796 632 2HB PRO 82 1HB PRO 82 14.683 -5.643 -10.480 633 1HG PRO 82 2HG PRO 82 15.467 -4.770 -12.871 634 2HG PRO 82 1HG PRO 82 16.483 -5.876 -11.924 635 1HD PRO 82 2HD PRO 82 14.746 -6.450 -14.291 636 2HD PRO 82 1HD PRO 82 16.339 -7.114 -13.871 637 H LYS 83 H LYS 83 12.863 -8.043 -9.384 638 HA LYS 83 HA LYS 83 10.322 -8.367 -10.837 639 1HB LYS 83 2HB LYS 83 11.543 -10.322 -9.487 640 2HB LYS 83 1HB LYS 83 10.682 -9.581 -8.145 641 1HG LYS 83 2HG LYS 83 9.286 -11.293 -8.940 642 2HG LYS 83 1HG LYS 83 8.587 -9.789 -9.542 643 1HD LYS 83 2HD LYS 83 9.940 -10.225 -11.669 644 2HD LYS 83 1HD LYS 83 10.158 -11.861 -11.045 645 1HE LYS 83 2HE LYS 83 7.589 -11.857 -10.786 646 2HE LYS 83 1HE LYS 83 7.635 -10.480 -11.887 647 1HZ LYS 83 1HZ LYS 83 9.123 -12.119 -13.266 648 2HZ LYS 83 2HZ LYS 83 7.435 -12.179 -13.365 649 3HZ LYS 83 3HZ LYS 83 8.265 -13.292 -12.400 650 HA PRO 84 HA PRO 84 8.944 -4.864 -8.454 651 1HB PRO 84 2HB PRO 84 6.283 -5.086 -8.963 652 2HB PRO 84 1HB PRO 84 7.440 -4.450 -10.137 653 1HG PRO 84 2HG PRO 84 6.256 -7.191 -9.937 654 2HG PRO 84 1HG PRO 84 6.521 -6.189 -11.375 655 1HD PRO 84 2HD PRO 84 8.181 -8.210 -10.692 656 2HD PRO 84 1HD PRO 84 8.758 -6.739 -11.502 657 H GLN 85 H GLN 85 8.499 -4.646 -6.348 658 HA GLN 85 HA GLN 85 7.658 -6.946 -4.824 659 1HB GLN 85 2HB GLN 85 8.513 -4.153 -4.098 660 2HB GLN 85 1HB GLN 85 7.856 -5.252 -2.893 661 1HG GLN 85 2HG GLN 85 10.257 -5.837 -4.607 662 2HG GLN 85 1HG GLN 85 10.325 -5.203 -2.963 663 1HE2 GLN 85 1HE2 GLN 85 10.900 -7.867 -4.548 664 2HE2 GLN 85 2HE2 GLN 85 10.364 -9.069 -3.430 665 H ARG 86 H ARG 86 5.688 -7.352 -4.028 666 HA ARG 86 HA ARG 86 3.613 -5.297 -4.426 667 1HB ARG 86 2HB ARG 86 3.377 -8.309 -4.447 668 2HB ARG 86 1HB ARG 86 2.013 -7.206 -4.543 669 1HG ARG 86 2HG ARG 86 2.319 -6.849 -6.719 670 2HG ARG 86 1HG ARG 86 4.058 -6.629 -6.526 671 1HD ARG 86 2HD ARG 86 3.471 -8.555 -7.966 672 2HD ARG 86 1HD ARG 86 4.415 -9.008 -6.548 673 HE ARG 86 HE ARG 86 1.574 -9.233 -6.169 674 1HH1 ARG 86 1HH1 ARG 86 4.445 -10.849 -7.323 675 2HH1 ARG 86 2HH1 ARG 86 3.790 -12.437 -7.102 676 1HH2 ARG 86 1HH2 ARG 86 0.713 -11.322 -5.877 677 2HH2 ARG 86 2HH2 ARG 86 1.673 -12.706 -6.281 678 H HIS 87 H HIS 87 2.373 -4.681 -2.752 679 HA HIS 87 HA HIS 87 2.926 -5.924 -0.145 680 1HB HIS 87 2HB HIS 87 2.150 -3.147 -0.978 681 2HB HIS 87 1HB HIS 87 1.795 -3.704 0.654 682 HD1 HIS 87 HD1 HIS 87 3.580 -3.248 2.295 683 HD2 HIS 87 HD2 HIS 87 5.073 -3.508 -1.574 684 HE1 HIS 87 HE1 HIS 87 6.032 -2.725 2.486 685 HE2 HIS 87 HE2 HIS 87 6.898 -2.807 0.120 686 H MET 88 H MET 88 1.432 -7.391 0.368 687 HA MET 88 HA MET 88 -1.329 -7.014 -0.505 688 1HB MET 88 2HB MET 88 -0.116 -9.206 -0.807 689 2HB MET 88 1HB MET 88 -0.152 -9.389 0.942 690 1HG MET 88 2HG MET 88 -2.655 -9.186 0.798 691 2HG MET 88 1HG MET 88 -2.481 -9.311 -0.952 692 1HE MET 88 1HE MET 88 -1.289 -11.422 -2.137 693 2HE MET 88 2HE MET 88 -0.782 -12.867 -1.260 694 3HE MET 88 3HE MET 88 0.074 -11.344 -1.020 695 H PHE 89 H PHE 89 -2.904 -6.362 0.809 696 HA PHE 89 HA PHE 89 -2.380 -6.342 3.709 697 1HB PHE 89 2HB PHE 89 -3.821 -4.324 1.992 698 2HB PHE 89 1HB PHE 89 -3.937 -4.343 3.748 699 HD1 PHE 89 HD1 PHE 89 -1.846 -3.568 0.881 700 HD2 PHE 89 HD2 PHE 89 -1.997 -3.815 5.125 701 HE1 PHE 89 HE1 PHE 89 0.214 -2.234 1.024 702 HE2 PHE 89 HE2 PHE 89 0.064 -2.476 5.279 703 HZ PHE 89 HZ PHE 89 1.173 -1.684 3.227 704 H SER 90 H SER 90 -4.340 -6.343 5.063 705 HA SER 90 HA SER 90 -6.568 -7.813 3.814 706 1HB SER 90 2HB SER 90 -4.756 -8.883 5.656 707 2HB SER 90 1HB SER 90 -6.193 -8.514 6.609 708 HG SER 90 HG SER 90 -7.104 -10.179 5.733 709 H PHE 91 H PHE 91 -8.453 -6.803 4.074 710 HA PHE 91 HA PHE 91 -8.662 -4.772 6.173 711 1HB PHE 91 2HB PHE 91 -9.952 -5.136 3.498 712 2HB PHE 91 1HB PHE 91 -10.761 -4.168 4.729 713 HD1 PHE 91 HD1 PHE 91 -7.718 -4.476 2.684 714 HD2 PHE 91 HD2 PHE 91 -10.016 -2.010 5.277 715 HE1 PHE 91 HE1 PHE 91 -6.308 -2.554 2.086 716 HE2 PHE 91 HE2 PHE 91 -8.610 -0.070 4.684 717 HZ PHE 91 HZ PHE 91 -6.752 -0.343 3.086 718 H ASN 92 H ASN 92 -10.487 -4.595 7.459 719 HA ASN 92 HA ASN 92 -12.007 -7.094 7.757 720 1HB ASN 92 2HB ASN 92 -11.379 -4.930 9.780 721 2HB ASN 92 1HB ASN 92 -12.422 -6.314 10.093 722 1HD2 ASN 92 1HD2 ASN 92 -10.148 -5.745 11.584 723 2HD2 ASN 92 2HD2 ASN 92 -8.987 -6.997 11.325 724 H ASN 93 H ASN 93 -12.378 -4.390 6.159 725 HA ASN 93 HA ASN 93 -15.235 -4.380 6.467 726 1HB ASN 93 2HB ASN 93 -14.338 -2.761 8.208 727 2HB ASN 93 1HB ASN 93 -13.802 -1.759 6.863 728 1HD2 ASN 93 1HD2 ASN 93 -15.396 -0.475 8.398 729 2HD2 ASN 93 2HD2 ASN 93 -17.014 -0.387 7.797 730 H ARG 94 H ARG 94 -16.184 -4.085 4.562 731 HA ARG 94 HA ARG 94 -14.643 -3.701 2.218 732 1HB ARG 94 2HB ARG 94 -17.635 -3.659 2.647 733 2HB ARG 94 1HB ARG 94 -16.865 -3.626 1.068 734 1HG ARG 94 2HG ARG 94 -15.784 -5.803 1.629 735 2HG ARG 94 1HG ARG 94 -16.761 -5.842 3.100 736 1HD ARG 94 2HD ARG 94 -18.789 -5.615 1.624 737 2HD ARG 94 1HD ARG 94 -17.721 -5.872 0.246 738 HE ARG 94 HE ARG 94 -17.246 -7.973 1.957 739 1HH1 ARG 94 1HH1 ARG 94 -20.002 -6.694 0.240 740 2HH1 ARG 94 2HH1 ARG 94 -20.776 -8.235 0.082 741 1HH2 ARG 94 1HH2 ARG 94 -18.262 -10.001 1.749 742 2HH2 ARG 94 2HH2 ARG 94 -19.788 -10.113 0.939 743 H THR 95 H THR 95 -16.377 -1.546 4.314 744 HA THR 95 HA THR 95 -16.498 0.614 2.460 745 HB THR 95 HB THR 95 -17.293 0.090 5.233 746 HG1 THR 95 HG1 THR 95 -18.321 1.742 3.171 747 1HG2 THR 95 1HG2 THR 95 -16.403 2.846 4.456 748 2HG2 THR 95 2HG2 THR 95 -15.932 1.897 5.866 749 3HG2 THR 95 3HG2 THR 95 -17.574 2.528 5.737 750 H VAL 96 H VAL 96 -14.491 -0.276 5.182 751 HA VAL 96 HA VAL 96 -12.800 1.987 5.069 752 HB VAL 96 HB VAL 96 -12.215 -0.729 6.251 753 1HG1 VAL 96 1HG1 VAL 96 -10.136 0.172 6.303 754 2HG1 VAL 96 2HG1 VAL 96 -10.777 0.967 7.741 755 3HG1 VAL 96 3HG1 VAL 96 -10.731 1.829 6.204 756 1HG2 VAL 96 1HG2 VAL 96 -12.830 1.457 8.080 757 2HG2 VAL 96 2HG2 VAL 96 -13.440 -0.197 8.045 758 3HG2 VAL 96 3HG2 VAL 96 -14.177 1.036 7.021 759 H MET 97 H MET 97 -12.796 -1.123 3.509 760 HA MET 97 HA MET 97 -10.122 -0.882 2.494 761 1HB MET 97 2HB MET 97 -10.418 -2.964 1.549 762 2HB MET 97 1HB MET 97 -11.563 -3.031 2.881 763 1HG MET 97 2HG MET 97 -13.381 -2.491 1.342 764 2HG MET 97 1HG MET 97 -12.232 -2.428 0.008 765 1HE MET 97 1HE MET 97 -10.937 -4.548 -0.937 766 2HE MET 97 2HE MET 97 -11.022 -6.145 -0.195 767 3HE MET 97 3HE MET 97 -10.275 -4.807 0.678 768 H ASP 98 H ASP 98 -13.339 -0.100 1.344 769 HA ASP 98 HA ASP 98 -12.463 0.498 -1.315 770 1HB ASP 98 2HB ASP 98 -15.066 1.007 0.122 771 2HB ASP 98 1HB ASP 98 -14.788 1.438 -1.563 772 H ASN 99 H ASN 99 -12.819 2.211 1.662 773 HA ASN 99 HA ASN 99 -12.862 4.831 0.571 774 1HB ASN 99 2HB ASN 99 -12.209 3.790 3.325 775 2HB ASN 99 1HB ASN 99 -12.207 5.506 2.927 776 1HD2 ASN 99 1HD2 ASN 99 -13.842 4.536 4.879 777 2HD2 ASN 99 2HD2 ASN 99 -15.488 4.618 4.360 778 H ILE 100 H ILE 100 -10.364 2.601 1.465 779 HA ILE 100 HA ILE 100 -8.249 4.568 1.229 780 HB ILE 100 HB ILE 100 -8.058 1.569 1.555 781 1HG1 ILE 100 2HG1 ILE 100 -9.199 2.770 3.430 782 2HG1 ILE 100 1HG1 ILE 100 -7.699 1.980 3.903 783 1HG2 ILE 100 1HG2 ILE 100 -6.027 3.756 1.492 784 2HG2 ILE 100 2HG2 ILE 100 -5.984 2.159 0.745 785 3HG2 ILE 100 3HG2 ILE 100 -5.746 2.327 2.484 786 1HD1 ILE 100 1HD1 ILE 100 -6.540 4.059 3.955 787 2HD1 ILE 100 2HD1 ILE 100 -8.039 4.248 4.865 788 3HD1 ILE 100 3HD1 ILE 100 -7.910 4.901 3.232 789 H LYS 101 H LYS 101 -9.363 1.700 -0.550 790 HA LYS 101 HA LYS 101 -7.439 1.744 -2.576 791 1HB LYS 101 2HB LYS 101 -8.980 -0.141 -2.169 792 2HB LYS 101 1HB LYS 101 -10.316 0.833 -2.767 793 1HG LYS 101 2HG LYS 101 -9.243 0.952 -4.962 794 2HG LYS 101 1HG LYS 101 -7.914 -0.039 -4.359 795 1HD LYS 101 2HD LYS 101 -9.383 -1.493 -5.533 796 2HD LYS 101 1HD LYS 101 -9.619 -1.805 -3.812 797 1HE LYS 101 2HE LYS 101 -11.775 -1.724 -4.817 798 2HE LYS 101 1HE LYS 101 -11.574 -0.239 -3.887 799 1HZ LYS 101 1HZ LYS 101 -12.536 -0.043 -6.213 800 2HZ LYS 101 2HZ LYS 101 -10.970 -0.346 -6.779 801 3HZ LYS 101 3HZ LYS 101 -11.272 1.011 -5.816 802 H MET 102 H MET 102 -10.521 3.430 -2.278 803 HA MET 102 HA MET 102 -10.495 4.515 -4.903 804 1HB MET 102 2HB MET 102 -12.574 4.282 -3.640 805 2HB MET 102 1HB MET 102 -11.981 5.412 -2.432 806 1HG MET 102 2HG MET 102 -13.329 6.770 -3.671 807 2HG MET 102 1HG MET 102 -11.779 7.033 -4.468 808 1HE MET 102 1HE MET 102 -15.308 4.545 -5.860 809 2HE MET 102 2HE MET 102 -15.591 6.259 -5.560 810 3HE MET 102 3HE MET 102 -14.979 5.226 -4.268 811 H THR 103 H THR 103 -9.406 5.651 -1.783 812 HA THR 103 HA THR 103 -8.685 8.240 -2.754 813 HB THR 103 HB THR 103 -8.754 6.860 -0.182 814 HG1 THR 103 HG1 THR 103 -8.767 9.618 -0.824 815 1HG2 THR 103 1HG2 THR 103 -7.092 8.185 0.961 816 2HG2 THR 103 2HG2 THR 103 -6.558 8.878 -0.571 817 3HG2 THR 103 3HG2 THR 103 -6.330 7.159 -0.254 818 H LEU 104 H LEU 104 -7.192 5.142 -2.563 819 HA LEU 104 HA LEU 104 -4.503 6.145 -2.843 820 1HB LEU 104 2HB LEU 104 -5.740 3.407 -2.906 821 2HB LEU 104 1HB LEU 104 -4.070 3.653 -3.378 822 HG LEU 104 HG LEU 104 -5.242 4.299 -0.673 823 1HD1 LEU 104 1HD1 LEU 104 -3.360 2.110 -1.540 824 2HD1 LEU 104 2HD1 LEU 104 -5.047 1.902 -1.069 825 3HD1 LEU 104 3HD1 LEU 104 -3.861 2.447 0.117 826 1HD2 LEU 104 1HD2 LEU 104 -2.844 4.624 -0.055 827 2HD2 LEU 104 2HD2 LEU 104 -3.491 5.850 -1.145 828 3HD2 LEU 104 3HD2 LEU 104 -2.452 4.570 -1.773 829 H GLN 105 H GLN 105 -7.112 5.095 -4.897 830 HA GLN 105 HA GLN 105 -5.558 4.748 -7.255 831 1HB GLN 105 2HB GLN 105 -8.505 5.138 -6.774 832 2HB GLN 105 1HB GLN 105 -7.835 4.973 -8.391 833 1HG GLN 105 2HG GLN 105 -7.218 2.913 -6.327 834 2HG GLN 105 1HG GLN 105 -8.785 2.902 -7.137 835 1HE2 GLN 105 1HE2 GLN 105 -7.404 0.733 -7.525 836 2HE2 GLN 105 2HE2 GLN 105 -6.662 0.684 -9.085 837 H GLN 106 H GLN 106 -7.248 7.444 -5.799 838 HA GLN 106 HA GLN 106 -7.063 9.176 -8.029 839 1HB GLN 106 2HB GLN 106 -7.405 11.002 -6.332 840 2HB GLN 106 1HB GLN 106 -8.633 9.744 -6.325 841 1HG GLN 106 2HG GLN 106 -7.681 8.745 -4.371 842 2HG GLN 106 1HG GLN 106 -6.306 9.846 -4.424 843 1HE2 GLN 106 1HE2 GLN 106 -6.505 11.034 -2.646 844 2HE2 GLN 106 2HE2 GLN 106 -7.909 11.929 -2.192 845 H ILE 107 H ILE 107 -4.945 8.483 -5.308 846 HA ILE 107 HA ILE 107 -3.074 10.536 -5.685 847 HB ILE 107 HB ILE 107 -2.643 7.726 -4.653 848 1HG1 ILE 107 2HG1 ILE 107 -2.925 10.282 -3.072 849 2HG1 ILE 107 1HG1 ILE 107 -4.300 9.254 -3.462 850 1HG2 ILE 107 1HG2 ILE 107 -0.480 8.157 -4.460 851 2HG2 ILE 107 2HG2 ILE 107 -0.817 9.645 -3.576 852 3HG2 ILE 107 3HG2 ILE 107 -0.726 9.666 -5.336 853 1HD1 ILE 107 1HD1 ILE 107 -3.859 7.982 -1.716 854 2HD1 ILE 107 2HD1 ILE 107 -2.507 9.039 -1.303 855 3HD1 ILE 107 3HD1 ILE 107 -2.246 7.638 -2.343 856 H ILE 108 H ILE 108 -3.314 7.300 -7.070 857 HA ILE 108 HA ILE 108 -0.960 7.153 -8.528 858 HB ILE 108 HB ILE 108 -3.587 6.218 -9.646 859 1HG1 ILE 108 2HG1 ILE 108 -3.743 5.450 -7.435 860 2HG1 ILE 108 1HG1 ILE 108 -3.128 4.079 -8.347 861 1HG2 ILE 108 1HG2 ILE 108 -0.737 5.339 -9.892 862 2HG2 ILE 108 2HG2 ILE 108 -1.870 5.813 -11.156 863 3HG2 ILE 108 3HG2 ILE 108 -2.078 4.274 -10.319 864 1HD1 ILE 108 1HD1 ILE 108 -0.937 4.395 -7.492 865 2HD1 ILE 108 2HD1 ILE 108 -2.053 4.455 -6.127 866 3HD1 ILE 108 3HD1 ILE 108 -1.376 5.947 -6.778 867 H SER 109 H SER 109 -4.087 8.335 -9.528 868 HA SER 109 HA SER 109 -3.477 9.169 -12.098 869 1HB SER 109 2HB SER 109 -5.774 9.053 -11.156 870 2HB SER 109 1HB SER 109 -5.431 10.507 -10.220 871 HG SER 109 HG SER 109 -5.351 10.312 -13.052 872 H ARG 110 H ARG 110 -2.828 10.722 -9.063 873 HA ARG 110 HA ARG 110 -2.209 13.277 -10.129 874 1HB ARG 110 2HB ARG 110 -1.425 12.006 -7.506 875 2HB ARG 110 1HB ARG 110 -1.150 13.693 -7.914 876 1HG ARG 110 2HG ARG 110 -3.576 14.013 -8.148 877 2HG ARG 110 1HG ARG 110 -3.825 12.331 -7.675 878 1HD ARG 110 2HD ARG 110 -4.164 13.681 -5.740 879 2HD ARG 110 1HD ARG 110 -2.627 12.839 -5.541 880 HE ARG 110 HE ARG 110 -1.582 14.866 -5.500 881 1HH1 ARG 110 1HH1 ARG 110 -4.724 15.279 -6.961 882 2HH1 ARG 110 2HH1 ARG 110 -4.595 17.004 -7.052 883 1HH2 ARG 110 1HH2 ARG 110 -1.410 17.134 -5.616 884 2HH2 ARG 110 2HH2 ARG 110 -2.712 18.057 -6.288 885 H TYR 111 H TYR 111 -0.410 10.356 -9.591 886 HA TYR 111 HA TYR 111 2.172 11.506 -9.936 887 1HB TYR 111 2HB TYR 111 1.106 8.700 -9.949 888 2HB TYR 111 1HB TYR 111 2.766 9.020 -10.445 889 HD1 TYR 111 HD1 TYR 111 4.287 10.234 -8.793 890 HD2 TYR 111 HD2 TYR 111 0.554 8.526 -7.679 891 HE1 TYR 111 HE1 TYR 111 4.996 10.238 -6.438 892 HE2 TYR 111 HE2 TYR 111 1.252 8.523 -5.322 893 HH TYR 111 HH TYR 111 3.469 8.496 -4.057 894 H LYS 112 H LYS 112 -0.275 10.322 -12.067 895 HA LYS 112 HA LYS 112 1.345 9.990 -14.368 896 1HB LYS 112 2HB LYS 112 -1.623 10.531 -14.187 897 2HB LYS 112 1HB LYS 112 -0.771 9.939 -15.607 898 1HG LYS 112 2HG LYS 112 -1.030 8.495 -12.977 899 2HG LYS 112 1HG LYS 112 -1.934 8.141 -14.451 900 1HD LYS 112 2HD LYS 112 -0.304 6.708 -14.966 901 2HD LYS 112 1HD LYS 112 0.715 8.116 -15.267 902 1HE LYS 112 2HE LYS 112 1.734 7.980 -13.185 903 2HE LYS 112 1HE LYS 112 0.423 7.023 -12.497 904 1HZ LYS 112 1HZ LYS 112 2.738 5.986 -13.270 905 2HZ LYS 112 2HZ LYS 112 1.866 5.807 -14.707 906 3HZ LYS 112 3HZ LYS 112 1.289 5.113 -13.277 907 H ASP 113 H ASP 113 -0.437 12.684 -12.989 908 HA ASP 113 HA ASP 113 -0.355 14.432 -15.173 909 1HB ASP 113 2HB ASP 113 -0.356 15.002 -12.204 910 2HB ASP 113 1HB ASP 113 -0.569 16.238 -13.441 911 H ALA 114 H ALA 114 2.015 13.750 -12.658 912 HA ALA 114 HA ALA 114 3.792 15.852 -13.188 913 1HB ALA 114 1HB ALA 114 5.347 14.712 -11.854 914 2HB ALA 114 2HB ALA 114 4.672 13.134 -12.262 915 3HB ALA 114 3HB ALA 114 3.776 14.234 -11.214 916 H ASP 115 H ASP 115 3.347 12.733 -14.721 917 HA ASP 115 HA ASP 115 5.259 13.546 -16.796 918 1HB ASP 115 2HB ASP 115 5.111 10.829 -15.479 919 2HB ASP 115 1HB ASP 115 6.007 11.159 -16.960 Start of MODEL 16 1 HT1 PRO 1 HT2 PRO 1 -12.587 11.532 6.301 2 HT2 PRO 1 HT1 PRO 1 -13.339 10.927 4.894 3 HA PRO 1 HA PRO 1 -12.372 9.573 7.108 4 1HB PRO 1 2HB PRO 1 -14.831 8.279 6.950 5 2HB PRO 1 1HB PRO 1 -14.285 9.312 8.277 6 1HG PRO 1 2HG PRO 1 -16.067 9.963 5.981 7 2HG PRO 1 1HG PRO 1 -16.105 10.575 7.641 8 1HD PRO 1 2HD PRO 1 -15.166 12.046 5.561 9 2HD PRO 1 1HD PRO 1 -14.526 12.210 7.208 10 H SER 2 H SER 2 -11.119 9.224 5.071 11 HA SER 2 HA SER 2 -11.916 6.736 3.868 12 1HB SER 2 2HB SER 2 -12.892 8.836 2.531 13 2HB SER 2 1HB SER 2 -11.273 8.814 1.834 14 HG SER 2 HG SER 2 -13.317 6.904 1.669 15 H HIS 3 H HIS 3 -9.674 9.482 3.717 16 HA HIS 3 HA HIS 3 -7.513 8.145 2.558 17 1HB HIS 3 2HB HIS 3 -7.744 10.566 4.312 18 2HB HIS 3 1HB HIS 3 -6.157 9.945 3.868 19 HD1 HIS 3 HD1 HIS 3 -9.359 10.899 2.030 20 HD2 HIS 3 HD2 HIS 3 -5.230 11.092 1.613 21 HE1 HIS 3 HE1 HIS 3 -8.958 12.119 -0.132 22 HE2 HIS 3 HE2 HIS 3 -6.453 12.302 -0.319 23 H SER 4 H SER 4 -8.745 8.087 5.781 24 HA SER 4 HA SER 4 -6.484 6.380 6.598 25 1HB SER 4 2HB SER 4 -6.924 7.124 8.926 26 2HB SER 4 1HB SER 4 -6.453 8.454 7.869 27 HG SER 4 HG SER 4 -9.096 7.780 8.660 28 H GLY 5 H GLY 5 -6.963 4.362 7.116 29 1HA GLY 5 2HA GLY 5 -9.492 3.656 8.322 30 2HA GLY 5 1HA GLY 5 -9.290 3.061 6.679 31 H ALA 6 H ALA 6 -9.482 1.618 9.276 32 HA ALA 6 HA ALA 6 -6.967 0.608 10.006 33 1HB ALA 6 1HB ALA 6 -8.191 -1.235 11.049 34 2HB ALA 6 2HB ALA 6 -9.668 -0.697 10.247 35 3HB ALA 6 3HB ALA 6 -8.888 0.335 11.446 36 H ALA 7 H ALA 7 -5.759 -1.059 9.316 37 HA ALA 7 HA ALA 7 -6.754 -2.911 7.339 38 1HB ALA 7 1HB ALA 7 -6.117 -1.069 5.918 39 2HB ALA 7 2HB ALA 7 -4.977 -2.399 5.703 40 3HB ALA 7 3HB ALA 7 -4.527 -0.999 6.678 41 H ILE 8 H ILE 8 -5.491 -4.789 7.104 42 HA ILE 8 HA ILE 8 -3.555 -5.190 9.264 43 HB ILE 8 HB ILE 8 -4.687 -7.255 7.388 44 1HG1 ILE 8 2HG1 ILE 8 -5.642 -6.735 10.193 45 2HG1 ILE 8 1HG1 ILE 8 -6.405 -5.995 8.785 46 1HG2 ILE 8 1HG2 ILE 8 -2.536 -7.588 8.866 47 2HG2 ILE 8 2HG2 ILE 8 -3.733 -8.868 8.692 48 3HG2 ILE 8 3HG2 ILE 8 -3.728 -7.856 10.137 49 1HD1 ILE 8 1HD1 ILE 8 -7.331 -8.212 9.751 50 2HD1 ILE 8 2HD1 ILE 8 -5.987 -8.937 8.860 51 3HD1 ILE 8 3HD1 ILE 8 -7.207 -7.988 8.004 52 H PHE 9 H PHE 9 -1.492 -5.859 8.944 53 HA PHE 9 HA PHE 9 -0.539 -6.356 6.241 54 1HB PHE 9 2HB PHE 9 -0.246 -3.942 6.500 55 2HB PHE 9 1HB PHE 9 0.634 -4.193 8.000 56 HD1 PHE 9 HD1 PHE 9 2.878 -3.835 7.807 57 HD2 PHE 9 HD2 PHE 9 0.795 -5.588 4.543 58 HE1 PHE 9 HE1 PHE 9 4.989 -3.979 6.547 59 HE2 PHE 9 HE2 PHE 9 2.898 -5.737 3.272 60 HZ PHE 9 HZ PHE 9 4.999 -4.933 4.276 61 H GLU 10 H GLU 10 0.240 -8.327 6.536 62 HA GLU 10 HA GLU 10 1.724 -9.943 7.145 63 1HB GLU 10 2HB GLU 10 2.792 -8.037 9.223 64 2HB GLU 10 1HB GLU 10 3.570 -9.487 8.611 65 1HG GLU 10 2HG GLU 10 3.706 -8.429 6.384 66 2HG GLU 10 1HG GLU 10 3.028 -6.956 7.077 67 H LYS 11 H LYS 11 -0.801 -10.119 8.031 68 HA LYS 11 HA LYS 11 -2.129 -11.183 9.497 69 1HB LYS 11 2HB LYS 11 0.591 -12.104 10.233 70 2HB LYS 11 1HB LYS 11 -0.759 -12.562 11.264 71 1HG LYS 11 2HG LYS 11 -1.823 -13.721 9.504 72 2HG LYS 11 1HG LYS 11 -0.747 -13.011 8.297 73 1HD LYS 11 2HD LYS 11 1.144 -14.227 9.296 74 2HD LYS 11 1HD LYS 11 0.045 -14.954 10.470 75 1HE LYS 11 2HE LYS 11 -1.238 -15.632 8.235 76 2HE LYS 11 1HE LYS 11 0.394 -15.517 7.578 77 1HZ LYS 11 1HZ LYS 11 -0.492 -17.231 9.835 78 2HZ LYS 11 2HZ LYS 11 1.118 -17.054 9.347 79 3HZ LYS 11 3HZ LYS 11 -0.012 -17.748 8.299 80 H VAL 12 H VAL 12 -0.769 -8.445 10.225 81 HA VAL 12 HA VAL 12 -1.774 -8.455 12.965 82 HB VAL 12 HB VAL 12 0.521 -6.784 11.937 83 1HG1 VAL 12 1HG1 VAL 12 0.084 -6.949 14.821 84 2HG1 VAL 12 2HG1 VAL 12 -1.223 -6.150 13.948 85 3HG1 VAL 12 3HG1 VAL 12 0.428 -5.549 13.804 86 1HG2 VAL 12 1HG2 VAL 12 0.659 -8.932 14.032 87 2HG2 VAL 12 2HG2 VAL 12 1.988 -8.122 13.203 88 3HG2 VAL 12 3HG2 VAL 12 0.959 -9.252 12.324 89 H SER 13 H SER 13 -3.187 -6.807 13.467 90 HA SER 13 HA SER 13 -4.014 -5.177 11.175 91 1HB SER 13 2HB SER 13 -5.576 -5.499 13.732 92 2HB SER 13 1HB SER 13 -6.167 -5.062 12.130 93 HG SER 13 HG SER 13 -6.187 -7.427 13.150 94 H GLY 14 H GLY 14 -4.338 -3.013 11.284 95 1HA GLY 14 2HA GLY 14 -3.915 -1.478 13.661 96 2HA GLY 14 1HA GLY 14 -2.532 -1.422 12.576 97 H ILE 15 H ILE 15 -3.487 0.953 12.899 98 HA ILE 15 HA ILE 15 -5.599 1.464 10.962 99 HB ILE 15 HB ILE 15 -4.185 3.296 12.889 100 1HG1 ILE 15 2HG1 ILE 15 -6.366 1.491 13.127 101 2HG1 ILE 15 1HG1 ILE 15 -5.750 2.613 14.337 102 1HG2 ILE 15 1HG2 ILE 15 -5.862 4.993 12.215 103 2HG2 ILE 15 2HG2 ILE 15 -6.368 3.926 10.905 104 3HG2 ILE 15 3HG2 ILE 15 -4.731 4.582 10.926 105 1HD1 ILE 15 1HD1 ILE 15 -8.085 2.988 14.083 106 2HD1 ILE 15 2HD1 ILE 15 -7.933 3.105 12.329 107 3HD1 ILE 15 3HD1 ILE 15 -7.240 4.359 13.360 108 H ILE 16 H ILE 16 -5.272 2.123 8.977 109 HA ILE 16 HA ILE 16 -2.544 2.776 8.138 110 HB ILE 16 HB ILE 16 -4.785 1.317 6.954 111 1HG1 ILE 16 2HG1 ILE 16 -1.811 1.475 6.454 112 2HG1 ILE 16 1HG1 ILE 16 -2.694 0.241 7.341 113 1HG2 ILE 16 1HG2 ILE 16 -3.394 3.404 5.279 114 2HG2 ILE 16 2HG2 ILE 16 -5.126 3.189 5.528 115 3HG2 ILE 16 3HG2 ILE 16 -4.218 2.004 4.593 116 1HD1 ILE 16 1HD1 ILE 16 -1.966 0.244 4.628 117 2HD1 ILE 16 2HD1 ILE 16 -3.723 0.375 4.690 118 3HD1 ILE 16 3HD1 ILE 16 -2.910 -0.960 5.505 119 H ALA 17 H ALA 17 -2.066 4.844 7.842 120 HA ALA 17 HA ALA 17 -4.232 6.717 7.149 121 1HB ALA 17 1HB ALA 17 -1.645 7.234 8.610 122 2HB ALA 17 2HB ALA 17 -3.266 7.226 9.303 123 3HB ALA 17 3HB ALA 17 -2.808 8.475 8.145 124 H ILE 18 H ILE 18 -3.945 8.161 5.466 125 HA ILE 18 HA ILE 18 -1.725 7.517 3.664 126 HB ILE 18 HB ILE 18 -4.538 8.300 3.278 127 1HG1 ILE 18 2HG1 ILE 18 -2.735 6.992 1.270 128 2HG1 ILE 18 1HG1 ILE 18 -3.257 6.107 2.700 129 1HG2 ILE 18 1HG2 ILE 18 -2.390 9.435 1.501 130 2HG2 ILE 18 2HG2 ILE 18 -3.599 10.323 2.428 131 3HG2 ILE 18 3HG2 ILE 18 -4.095 9.329 1.059 132 1HD1 ILE 18 1HD1 ILE 18 -4.821 7.016 0.352 133 2HD1 ILE 18 2HD1 ILE 18 -5.631 6.928 1.917 134 3HD1 ILE 18 3HD1 ILE 18 -4.876 5.489 1.232 135 H ASN 19 H ASN 19 -0.079 8.881 3.563 136 HA ASN 19 HA ASN 19 -0.516 11.684 4.347 137 1HB ASN 19 2HB ASN 19 1.292 9.886 5.371 138 2HB ASN 19 1HB ASN 19 2.265 10.754 4.186 139 1HD2 ASN 19 1HD2 ASN 19 1.017 13.252 4.363 140 2HD2 ASN 19 2HD2 ASN 19 1.377 13.932 5.910 141 H GLU 20 H GLU 20 -0.769 12.926 2.615 142 HA GLU 20 HA GLU 20 0.937 12.425 0.270 143 1HB GLU 20 2HB GLU 20 -0.871 13.875 -0.894 144 2HB GLU 20 1HB GLU 20 -1.232 12.195 -0.525 145 1HG GLU 20 2HG GLU 20 -2.460 12.877 1.459 146 2HG GLU 20 1HG GLU 20 -2.076 14.565 1.126 147 H ASP 21 H ASP 21 0.537 14.459 2.869 148 HA ASP 21 HA ASP 21 0.952 17.004 1.780 149 1HB ASP 21 2HB ASP 21 0.268 16.515 4.136 150 2HB ASP 21 1HB ASP 21 1.922 16.008 4.461 151 H VAL 22 H VAL 22 3.080 14.334 2.078 152 HA VAL 22 HA VAL 22 5.425 16.024 1.818 153 HB VAL 22 HB VAL 22 5.204 13.915 3.357 154 1HG1 VAL 22 1HG1 VAL 22 6.503 12.448 1.152 155 2HG1 VAL 22 2HG1 VAL 22 4.746 12.588 1.101 156 3HG1 VAL 22 3HG1 VAL 22 5.530 11.852 2.499 157 1HG2 VAL 22 1HG2 VAL 22 7.349 14.321 3.733 158 2HG2 VAL 22 2HG2 VAL 22 7.322 15.381 2.324 159 3HG2 VAL 22 3HG2 VAL 22 7.808 13.695 2.150 160 H SER 23 H SER 23 7.042 14.217 0.389 161 HA SER 23 HA SER 23 5.831 13.518 -2.095 162 1HB SER 23 2HB SER 23 7.554 15.251 -3.244 163 2HB SER 23 1HB SER 23 5.861 15.635 -2.930 164 HG SER 23 HG SER 23 8.023 16.828 -1.958 165 HA PRO 24 HA PRO 24 5.992 12.002 -3.321 166 1HB PRO 24 2HB PRO 24 6.250 9.319 -3.212 167 2HB PRO 24 1HB PRO 24 7.072 10.298 -4.435 168 1HG PRO 24 2HG PRO 24 8.150 9.159 -1.885 169 2HG PRO 24 1HG PRO 24 8.895 9.204 -3.492 170 1HD PRO 24 2HD PRO 24 9.523 10.963 -1.518 171 2HD PRO 24 1HD PRO 24 9.599 11.377 -3.243 172 H ALA 25 H ALA 25 4.025 11.255 -2.533 173 HA ALA 25 HA ALA 25 3.503 11.466 0.189 174 1HB ALA 25 1HB ALA 25 1.324 10.376 -0.346 175 2HB ALA 25 2HB ALA 25 1.936 10.050 -1.968 176 3HB ALA 25 3HB ALA 25 1.738 11.714 -1.418 177 H GLU 26 H GLU 26 2.456 9.648 1.527 178 HA GLU 26 HA GLU 26 3.474 6.990 1.053 179 1HB GLU 26 2HB GLU 26 4.484 8.603 3.400 180 2HB GLU 26 1HB GLU 26 4.729 6.875 3.187 181 1HG GLU 26 2HG GLU 26 5.944 7.359 1.082 182 2HG GLU 26 1HG GLU 26 5.790 9.079 1.437 183 H LEU 27 H LEU 27 2.476 5.411 2.286 184 HA LEU 27 HA LEU 27 0.162 6.343 3.846 185 1HB LEU 27 2HB LEU 27 -0.336 4.981 1.852 186 2HB LEU 27 1HB LEU 27 0.634 3.676 2.509 187 HG LEU 27 HG LEU 27 -1.713 4.730 4.046 188 1HD1 LEU 27 1HD1 LEU 27 -2.851 4.246 2.101 189 2HD1 LEU 27 2HD1 LEU 27 -2.895 2.695 2.937 190 3HD1 LEU 27 3HD1 LEU 27 -1.732 2.964 1.638 191 1HD2 LEU 27 1HD2 LEU 27 -1.688 2.195 4.625 192 2HD2 LEU 27 2HD2 LEU 27 -0.512 3.275 5.373 193 3HD2 LEU 27 3HD2 LEU 27 -0.035 2.259 4.011 194 H THR 28 H THR 28 0.421 6.238 5.983 195 HA THR 28 HA THR 28 2.429 4.558 7.155 196 HB THR 28 HB THR 28 0.645 6.066 8.906 197 HG1 THR 28 HG1 THR 28 0.584 7.828 7.812 198 1HG2 THR 28 1HG2 THR 28 2.863 5.259 9.579 199 2HG2 THR 28 2HG2 THR 28 2.688 7.006 9.740 200 3HG2 THR 28 3HG2 THR 28 3.577 6.330 8.377 201 H TRP 29 H TRP 29 2.062 2.976 8.697 202 HA TRP 29 HA TRP 29 -0.694 2.074 9.097 203 1HB TRP 29 2HB TRP 29 0.309 0.632 7.385 204 2HB TRP 29 1HB TRP 29 1.674 0.303 8.450 205 HD1 TRP 29 HD1 TRP 29 -2.147 0.120 9.034 206 HE1 TRP 29 HE1 TRP 29 -2.696 -2.184 10.061 207 HE3 TRP 29 HE3 TRP 29 2.561 -1.867 9.130 208 HZ2 TRP 29 HZ2 TRP 29 -1.311 -4.503 10.808 209 HZ3 TRP 29 HZ3 TRP 29 2.859 -4.144 10.024 210 HH2 TRP 29 HH2 TRP 29 0.951 -5.440 10.841 211 H ARG 30 H ARG 30 -1.030 2.346 11.211 212 HA ARG 30 HA ARG 30 1.175 1.742 13.063 213 1HB ARG 30 2HB ARG 30 -1.337 3.387 13.373 214 2HB ARG 30 1HB ARG 30 -0.353 2.912 14.749 215 1HG ARG 30 2HG ARG 30 1.555 4.093 13.807 216 2HG ARG 30 1HG ARG 30 0.589 4.550 12.404 217 1HD ARG 30 2HD ARG 30 -0.984 5.702 13.971 218 2HD ARG 30 1HD ARG 30 0.163 5.379 15.270 219 HE ARG 30 HE ARG 30 1.605 6.647 13.297 220 1HH1 ARG 30 1HH1 ARG 30 -1.182 7.394 15.261 221 2HH1 ARG 30 2HH1 ARG 30 -0.881 9.100 15.260 222 1HH2 ARG 30 1HH2 ARG 30 2.003 8.888 13.295 223 2HH2 ARG 30 2HH2 ARG 30 0.927 9.948 14.143 224 H SER 31 H SER 31 1.082 -0.051 14.301 225 HA SER 31 HA SER 31 -0.879 -2.000 13.919 226 1HB SER 31 2HB SER 31 0.157 -2.933 16.136 227 2HB SER 31 1HB SER 31 1.141 -2.864 14.674 228 HG SER 31 HG SER 31 1.101 -0.762 16.566 229 H THR 32 H THR 32 -2.283 -2.945 15.588 230 HA THR 32 HA THR 32 -4.122 -1.095 16.579 231 HB THR 32 HB THR 32 -3.619 -4.006 16.758 232 HG1 THR 32 HG1 THR 32 -5.234 -3.955 15.443 233 1HG2 THR 32 1HG2 THR 32 -5.505 -2.622 18.627 234 2HG2 THR 32 2HG2 THR 32 -4.137 -3.654 19.039 235 3HG2 THR 32 3HG2 THR 32 -5.551 -4.342 18.244 236 H ASP 33 H ASP 33 -1.345 -2.644 17.939 237 HA ASP 33 HA ASP 33 -1.867 -1.970 20.653 238 1HB ASP 33 2HB ASP 33 0.687 -2.794 19.270 239 2HB ASP 33 1HB ASP 33 0.524 -2.604 21.013 240 H GLY 34 H GLY 34 -0.232 -0.426 18.011 241 1HA GLY 34 2HA GLY 34 0.247 1.841 17.785 242 2HA GLY 34 1HA GLY 34 -0.159 2.071 19.479 243 H ASP 35 H ASP 35 2.037 -0.433 18.568 244 HA ASP 35 HA ASP 35 4.242 1.137 19.707 245 1HB ASP 35 2HB ASP 35 3.585 -0.842 21.038 246 2HB ASP 35 1HB ASP 35 3.928 -1.869 19.648 247 H LYS 36 H LYS 36 3.144 -0.605 16.960 248 HA LYS 36 HA LYS 36 5.787 -0.281 15.702 249 1HB LYS 36 2HB LYS 36 3.978 -2.573 15.796 250 2HB LYS 36 1HB LYS 36 4.455 -2.149 14.157 251 1HG LYS 36 2HG LYS 36 6.832 -2.216 14.913 252 2HG LYS 36 1HG LYS 36 6.261 -2.841 16.462 253 1HD LYS 36 2HD LYS 36 5.663 -4.140 13.808 254 2HD LYS 36 1HD LYS 36 7.029 -4.587 14.831 255 1HE LYS 36 2HE LYS 36 4.251 -4.547 15.943 256 2HE LYS 36 1HE LYS 36 4.810 -5.926 14.999 257 1HZ LYS 36 1HZ LYS 36 5.408 -6.575 17.084 258 2HZ LYS 36 2HZ LYS 36 5.687 -5.000 17.636 259 3HZ LYS 36 3HZ LYS 36 6.824 -5.760 16.642 260 H VAL 37 H VAL 37 5.871 1.023 13.995 261 HA VAL 37 HA VAL 37 3.360 1.653 12.590 262 HB VAL 37 HB VAL 37 5.569 3.633 13.157 263 1HG1 VAL 37 1HG1 VAL 37 4.473 5.119 11.875 264 2HG1 VAL 37 2HG1 VAL 37 2.887 4.566 12.413 265 3HG1 VAL 37 3HG1 VAL 37 3.744 3.689 11.146 266 1HG2 VAL 37 1HG2 VAL 37 4.689 3.586 15.236 267 2HG2 VAL 37 2HG2 VAL 37 3.171 2.868 14.695 268 3HG2 VAL 37 3HG2 VAL 37 3.447 4.600 14.501 269 H HIS 38 H HIS 38 3.447 1.133 10.520 270 HA HIS 38 HA HIS 38 6.083 1.003 9.211 271 1HB HIS 38 2HB HIS 38 4.863 -1.131 9.277 272 2HB HIS 38 1HB HIS 38 3.529 -0.382 8.414 273 HD1 HIS 38 HD1 HIS 38 6.387 -2.408 7.814 274 HD2 HIS 38 HD2 HIS 38 4.524 0.697 5.774 275 HE1 HIS 38 HE1 HIS 38 7.180 -2.595 5.433 276 HE2 HIS 38 HE2 HIS 38 6.107 -0.653 4.239 277 H THR 39 H THR 39 6.432 1.975 7.293 278 HA THR 39 HA THR 39 4.336 3.829 6.369 279 HB THR 39 HB THR 39 7.301 4.220 5.992 280 HG1 THR 39 HG1 THR 39 5.626 5.076 8.102 281 1HG2 THR 39 1HG2 THR 39 5.913 5.557 4.516 282 2HG2 THR 39 2HG2 THR 39 6.715 6.565 5.719 283 3HG2 THR 39 3HG2 THR 39 5.009 6.163 5.903 284 H VAL 40 H VAL 40 3.759 3.814 4.269 285 HA VAL 40 HA VAL 40 5.224 1.981 2.481 286 HB VAL 40 HB VAL 40 2.283 2.644 2.335 287 1HG1 VAL 40 1HG1 VAL 40 3.674 1.865 0.280 288 2HG1 VAL 40 2HG1 VAL 40 2.110 1.122 0.613 289 3HG1 VAL 40 3HG1 VAL 40 3.597 0.285 1.061 290 1HG2 VAL 40 1HG2 VAL 40 3.434 0.038 3.279 291 2HG2 VAL 40 2HG2 VAL 40 1.776 0.623 3.410 292 3HG2 VAL 40 3HG2 VAL 40 3.047 1.348 4.395 293 H VAL 41 H VAL 41 5.719 2.655 0.441 294 HA VAL 41 HA VAL 41 5.365 5.507 -0.095 295 HB VAL 41 HB VAL 41 7.050 3.531 -1.637 296 1HG1 VAL 41 1HG1 VAL 41 7.081 5.268 -3.059 297 2HG1 VAL 41 2HG1 VAL 41 8.214 5.971 -1.906 298 3HG1 VAL 41 3HG1 VAL 41 6.506 6.406 -1.842 299 1HG2 VAL 41 1HG2 VAL 41 8.069 5.451 0.439 300 2HG2 VAL 41 2HG2 VAL 41 8.917 4.108 -0.327 301 3HG2 VAL 41 3HG2 VAL 41 7.626 3.789 0.830 302 H LEU 42 H LEU 42 3.859 6.203 -1.450 303 HA LEU 42 HA LEU 42 2.396 4.297 -3.077 304 1HB LEU 42 2HB LEU 42 1.899 7.257 -2.868 305 2HB LEU 42 1HB LEU 42 0.776 6.012 -3.378 306 HG LEU 42 HG LEU 42 1.800 6.498 -0.583 307 1HD1 LEU 42 1HD1 LEU 42 -0.227 7.736 -1.868 308 2HD1 LEU 42 2HD1 LEU 42 -0.183 7.452 -0.127 309 3HD1 LEU 42 3HD1 LEU 42 -1.073 6.352 -1.177 310 1HD2 LEU 42 1HD2 LEU 42 0.630 4.586 0.155 311 2HD2 LEU 42 2HD2 LEU 42 1.588 4.058 -1.227 312 3HD2 LEU 42 3HD2 LEU 42 -0.139 4.357 -1.415 313 H SER 43 H SER 43 5.029 6.368 -3.515 314 HA SER 43 HA SER 43 4.498 7.040 -6.265 315 1HB SER 43 2HB SER 43 6.871 7.875 -6.217 316 2HB SER 43 1HB SER 43 5.823 8.598 -4.999 317 HG SER 43 HG SER 43 8.067 7.619 -4.466 318 H THR 44 H THR 44 6.006 4.460 -4.525 319 HA THR 44 HA THR 44 7.278 3.440 -6.944 320 HB THR 44 HB THR 44 8.571 3.448 -4.835 321 HG1 THR 44 HG1 THR 44 9.413 1.469 -5.171 322 1HG2 THR 44 1HG2 THR 44 8.010 2.363 -2.935 323 2HG2 THR 44 2HG2 THR 44 7.062 1.139 -3.779 324 3HG2 THR 44 3HG2 THR 44 6.385 2.746 -3.506 325 H ILE 45 H ILE 45 4.302 3.486 -6.340 326 HA ILE 45 HA ILE 45 3.749 0.603 -6.429 327 HB ILE 45 HB ILE 45 1.759 2.847 -6.093 328 1HG1 ILE 45 2HG1 ILE 45 3.278 2.884 -4.204 329 2HG1 ILE 45 1HG1 ILE 45 1.739 2.196 -3.693 330 1HG2 ILE 45 1HG2 ILE 45 0.204 1.163 -5.468 331 2HG2 ILE 45 2HG2 ILE 45 1.459 -0.075 -5.436 332 3HG2 ILE 45 3HG2 ILE 45 0.959 0.635 -6.971 333 1HD1 ILE 45 1HD1 ILE 45 3.262 0.790 -2.702 334 2HD1 ILE 45 2HD1 ILE 45 4.379 0.864 -4.065 335 3HD1 ILE 45 3HD1 ILE 45 2.891 -0.074 -4.194 336 H ASP 46 H ASP 46 3.979 -0.043 -8.494 337 HA ASP 46 HA ASP 46 3.437 1.471 -10.782 338 1HB ASP 46 2HB ASP 46 4.803 -0.619 -10.719 339 2HB ASP 46 1HB ASP 46 3.314 -1.542 -10.538 340 H LYS 47 H LYS 47 1.343 -0.329 -8.680 341 HA LYS 47 HA LYS 47 -0.996 0.809 -9.774 342 1HB LYS 47 2HB LYS 47 -0.106 -1.712 -10.943 343 2HB LYS 47 1HB LYS 47 -1.728 -1.820 -10.273 344 1HG LYS 47 2HG LYS 47 -2.169 0.354 -11.595 345 2HG LYS 47 1HG LYS 47 -0.716 -0.092 -12.490 346 1HD LYS 47 2HD LYS 47 -3.172 -1.809 -12.143 347 2HD LYS 47 1HD LYS 47 -2.740 -0.910 -13.599 348 1HE LYS 47 2HE LYS 47 -0.519 -2.254 -13.445 349 2HE LYS 47 1HE LYS 47 -1.452 -3.337 -12.415 350 1HZ LYS 47 1HZ LYS 47 -3.044 -3.619 -14.209 351 2HZ LYS 47 2HZ LYS 47 -1.491 -4.051 -14.722 352 3HZ LYS 47 3HZ LYS 47 -2.156 -2.570 -15.197 353 H LEU 48 H LEU 48 -2.995 -0.146 -8.783 354 HA LEU 48 HA LEU 48 -2.387 -1.411 -6.194 355 1HB LEU 48 2HB LEU 48 -4.037 -0.046 -5.119 356 2HB LEU 48 1HB LEU 48 -2.915 1.000 -5.968 357 HG LEU 48 HG LEU 48 -4.860 0.688 -7.851 358 1HD1 LEU 48 1HD1 LEU 48 -7.013 0.876 -6.815 359 2HD1 LEU 48 2HD1 LEU 48 -6.293 0.848 -5.206 360 3HD1 LEU 48 3HD1 LEU 48 -6.233 -0.591 -6.224 361 1HD2 LEU 48 1HD2 LEU 48 -5.396 2.832 -5.917 362 2HD2 LEU 48 2HD2 LEU 48 -5.044 2.917 -7.643 363 3HD2 LEU 48 3HD2 LEU 48 -3.729 2.735 -6.483 364 H GLN 49 H GLN 49 -3.408 -3.278 -5.888 365 HA GLN 49 HA GLN 49 -5.771 -3.864 -7.540 366 1HB GLN 49 2HB GLN 49 -3.817 -5.756 -6.219 367 2HB GLN 49 1HB GLN 49 -5.227 -6.248 -7.147 368 1HG GLN 49 2HG GLN 49 -4.259 -5.060 -9.111 369 2HG GLN 49 1HG GLN 49 -2.802 -4.788 -8.159 370 1HE2 GLN 49 1HE2 GLN 49 -2.139 -6.972 -6.996 371 2HE2 GLN 49 2HE2 GLN 49 -1.989 -8.312 -8.075 372 H ALA 50 H ALA 50 -7.595 -4.814 -6.618 373 HA ALA 50 HA ALA 50 -7.677 -5.058 -3.703 374 1HB ALA 50 1HB ALA 50 -9.515 -3.625 -3.411 375 2HB ALA 50 2HB ALA 50 -9.828 -3.533 -5.143 376 3HB ALA 50 3HB ALA 50 -8.411 -2.736 -4.460 377 H THR 51 H THR 51 -9.374 -6.374 -2.914 378 HA THR 51 HA THR 51 -10.097 -8.501 -4.668 379 HB THR 51 HB THR 51 -11.521 -9.178 -2.603 380 HG1 THR 51 HG1 THR 51 -11.642 -7.396 -1.401 381 1HG2 THR 51 1HG2 THR 51 -9.490 -10.332 -2.980 382 2HG2 THR 51 2HG2 THR 51 -9.492 -9.818 -1.294 383 3HG2 THR 51 3HG2 THR 51 -8.531 -8.938 -2.482 384 HA PRO 52 HA PRO 52 -13.956 -6.917 -6.149 385 1HB PRO 52 2HB PRO 52 -15.118 -9.205 -6.977 386 2HB PRO 52 1HB PRO 52 -13.735 -8.493 -7.817 387 1HG PRO 52 2HG PRO 52 -13.801 -10.753 -5.855 388 2HG PRO 52 1HG PRO 52 -12.893 -10.614 -7.372 389 1HD PRO 52 2HD PRO 52 -11.786 -10.168 -4.922 390 2HD PRO 52 1HD PRO 52 -11.222 -9.370 -6.404 391 H ALA 53 H ALA 53 -16.293 -7.085 -5.823 392 HA ALA 53 HA ALA 53 -16.959 -7.376 -3.080 393 1HB ALA 53 1HB ALA 53 -18.026 -5.740 -4.591 394 2HB ALA 53 2HB ALA 53 -19.194 -6.741 -3.727 395 3HB ALA 53 3HB ALA 53 -18.833 -7.071 -5.422 396 H SER 54 H SER 54 -16.754 -9.644 -5.587 397 HA SER 54 HA SER 54 -18.794 -11.408 -4.504 398 1HB SER 54 2HB SER 54 -18.314 -11.132 -6.995 399 2HB SER 54 1HB SER 54 -16.838 -12.056 -6.708 400 HG SER 54 HG SER 54 -17.983 -13.813 -6.599 401 H SER 55 H SER 55 -15.729 -10.658 -3.618 402 HA SER 55 HA SER 55 -15.051 -13.405 -2.825 403 1HB SER 55 2HB SER 55 -13.457 -11.614 -4.093 404 2HB SER 55 1HB SER 55 -13.064 -11.254 -2.412 405 HG SER 55 HG SER 55 -12.019 -13.069 -2.292 406 H GLU 56 H GLU 56 -15.640 -13.921 -0.841 407 HA GLU 56 HA GLU 56 -16.508 -12.129 1.112 408 1HB GLU 56 2HB GLU 56 -15.422 -14.931 1.438 409 2HB GLU 56 1HB GLU 56 -16.281 -14.040 2.687 410 1HG GLU 56 2HG GLU 56 -18.253 -13.932 1.213 411 2HG GLU 56 1HG GLU 56 -17.387 -14.905 0.026 412 H LYS 57 H LYS 57 -13.344 -12.971 0.138 413 HA LYS 57 HA LYS 57 -12.152 -12.033 2.639 414 1HB LYS 57 2HB LYS 57 -10.920 -13.245 0.159 415 2HB LYS 57 1HB LYS 57 -9.998 -12.707 1.556 416 1HG LYS 57 2HG LYS 57 -11.177 -14.334 2.955 417 2HG LYS 57 1HG LYS 57 -12.083 -14.881 1.542 418 1HD LYS 57 2HD LYS 57 -10.297 -16.415 1.842 419 2HD LYS 57 1HD LYS 57 -9.864 -15.402 0.464 420 1HE LYS 57 2HE LYS 57 -8.765 -13.981 2.478 421 2HE LYS 57 1HE LYS 57 -8.627 -15.613 3.132 422 1HZ LYS 57 1HZ LYS 57 -7.589 -16.224 0.941 423 2HZ LYS 57 2HZ LYS 57 -6.665 -15.208 1.927 424 3HZ LYS 57 3HZ LYS 57 -7.497 -14.569 0.601 425 H MET 58 H MET 58 -12.174 -9.870 2.766 426 HA MET 58 HA MET 58 -11.692 -8.239 0.411 427 1HB MET 58 2HB MET 58 -11.999 -6.343 2.095 428 2HB MET 58 1HB MET 58 -13.395 -7.367 1.784 429 1HG MET 58 2HG MET 58 -11.681 -8.214 4.015 430 2HG MET 58 1HG MET 58 -12.522 -6.682 4.240 431 1HE MET 58 1HE MET 58 -15.427 -6.724 4.852 432 2HE MET 58 2HE MET 58 -13.971 -6.867 5.837 433 3HE MET 58 3HE MET 58 -15.306 -7.995 6.067 434 H MET 59 H MET 59 -9.654 -7.969 -0.213 435 HA MET 59 HA MET 59 -7.692 -7.075 1.754 436 1HB MET 59 2HB MET 59 -7.193 -9.373 -0.149 437 2HB MET 59 1HB MET 59 -5.983 -8.627 0.885 438 1HG MET 59 2HG MET 59 -7.335 -9.305 2.855 439 2HG MET 59 1HG MET 59 -8.409 -10.173 1.760 440 1HE MET 59 1HE MET 59 -3.964 -11.192 2.408 441 2HE MET 59 2HE MET 59 -4.874 -10.272 3.606 442 3HE MET 59 3HE MET 59 -4.603 -9.601 1.999 443 H LEU 60 H LEU 60 -6.110 -5.726 0.930 444 HA LEU 60 HA LEU 60 -6.442 -4.977 -1.902 445 1HB LEU 60 2HB LEU 60 -7.161 -3.255 -0.261 446 2HB LEU 60 1HB LEU 60 -5.532 -3.229 0.386 447 HG LEU 60 HG LEU 60 -4.757 -2.547 -1.936 448 1HD1 LEU 60 1HD1 LEU 60 -6.220 -1.990 -3.583 449 2HD1 LEU 60 2HD1 LEU 60 -7.505 -1.559 -2.453 450 3HD1 LEU 60 3HD1 LEU 60 -7.165 -3.256 -2.798 451 1HD2 LEU 60 1HD2 LEU 60 -6.272 -0.935 0.019 452 2HD2 LEU 60 2HD2 LEU 60 -5.962 -0.184 -1.546 453 3HD2 LEU 60 3HD2 LEU 60 -4.616 -0.758 -0.561 454 H ARG 61 H ARG 61 -4.736 -5.264 -3.181 455 HA ARG 61 HA ARG 61 -2.110 -5.688 -1.919 456 1HB ARG 61 2HB ARG 61 -3.068 -7.633 -3.138 457 2HB ARG 61 1HB ARG 61 -3.068 -6.672 -4.610 458 1HG ARG 61 2HG ARG 61 -0.640 -6.483 -4.499 459 2HG ARG 61 1HG ARG 61 -0.632 -7.431 -3.010 460 1HD ARG 61 2HD ARG 61 -1.646 -8.395 -5.683 461 2HD ARG 61 1HD ARG 61 -0.066 -8.772 -5.001 462 HE ARG 61 HE ARG 61 -1.065 -10.235 -3.516 463 1HH1 ARG 61 1HH1 ARG 61 -3.509 -8.475 -5.289 464 2HH1 ARG 61 2HH1 ARG 61 -4.798 -9.511 -4.777 465 1HH2 ARG 61 1HH2 ARG 61 -2.763 -11.592 -2.846 466 2HH2 ARG 61 2HH2 ARG 61 -4.378 -11.278 -3.391 467 H LEU 62 H LEU 62 -0.317 -4.636 -2.676 468 HA LEU 62 HA LEU 62 -0.776 -2.580 -4.739 469 1HB LEU 62 2HB LEU 62 0.046 -2.285 -2.006 470 2HB LEU 62 1HB LEU 62 1.347 -1.757 -3.058 471 HG LEU 62 HG LEU 62 -0.373 -0.302 -4.237 472 1HD1 LEU 62 1HD1 LEU 62 -2.363 -1.450 -3.382 473 2HD1 LEU 62 2HD1 LEU 62 -2.375 0.268 -2.986 474 3HD1 LEU 62 3HD1 LEU 62 -1.961 -0.920 -1.749 475 1HD2 LEU 62 1HD2 LEU 62 1.339 0.318 -2.368 476 2HD2 LEU 62 2HD2 LEU 62 -0.107 0.510 -1.376 477 3HD2 LEU 62 3HD2 LEU 62 0.091 1.471 -2.842 478 H ILE 63 H ILE 63 0.504 -2.731 -6.451 479 HA ILE 63 HA ILE 63 2.747 -4.584 -6.398 480 HB ILE 63 HB ILE 63 1.790 -3.007 -8.778 481 1HG1 ILE 63 2HG1 ILE 63 -0.139 -4.192 -7.897 482 2HG1 ILE 63 1HG1 ILE 63 0.424 -4.998 -9.358 483 1HG2 ILE 63 1HG2 ILE 63 4.011 -4.497 -8.512 484 2HG2 ILE 63 2HG2 ILE 63 3.136 -4.313 -10.031 485 3HG2 ILE 63 3HG2 ILE 63 2.869 -5.738 -9.028 486 1HD1 ILE 63 1HD1 ILE 63 -0.248 -6.445 -7.372 487 2HD1 ILE 63 2HD1 ILE 63 1.269 -5.922 -6.640 488 3HD1 ILE 63 3HD1 ILE 63 1.283 -6.805 -8.167 489 H GLY 64 H GLY 64 4.800 -3.971 -6.180 490 1HA GLY 64 2HA GLY 64 5.463 -1.177 -5.979 491 2HA GLY 64 1HA GLY 64 6.565 -2.529 -5.768 492 H LYS 65 H LYS 65 7.408 -0.286 -7.087 493 HA LYS 65 HA LYS 65 7.048 -0.380 -9.888 494 1HB LYS 65 2HB LYS 65 8.783 1.050 -7.992 495 2HB LYS 65 1HB LYS 65 9.488 0.809 -9.586 496 1HG LYS 65 2HG LYS 65 7.512 1.852 -10.599 497 2HG LYS 65 1HG LYS 65 6.853 2.135 -8.986 498 1HD LYS 65 2HD LYS 65 8.785 3.531 -8.439 499 2HD LYS 65 1HD LYS 65 9.457 3.237 -10.044 500 1HE LYS 65 2HE LYS 65 7.499 4.309 -11.054 501 2HE LYS 65 1HE LYS 65 6.839 4.612 -9.448 502 1HZ LYS 65 1HZ LYS 65 8.498 6.157 -8.979 503 2HZ LYS 65 2HZ LYS 65 8.092 6.492 -10.586 504 3HZ LYS 65 3HZ LYS 65 9.501 5.625 -10.234 505 H VAL 66 H VAL 66 8.737 -0.865 -11.479 506 HA VAL 66 HA VAL 66 10.074 -3.379 -10.793 507 HB VAL 66 HB VAL 66 8.546 -3.379 -12.733 508 1HG1 VAL 66 1HG1 VAL 66 8.657 -1.938 -14.456 509 2HG1 VAL 66 2HG1 VAL 66 10.422 -1.927 -14.467 510 3HG1 VAL 66 3HG1 VAL 66 9.540 -0.928 -13.311 511 1HG2 VAL 66 1HG2 VAL 66 11.160 -3.779 -14.034 512 2HG2 VAL 66 2HG2 VAL 66 9.805 -4.890 -13.838 513 3HG2 VAL 66 3HG2 VAL 66 10.926 -4.623 -12.503 514 H ASP 67 H ASP 67 12.239 -3.615 -10.812 515 HA ASP 67 HA ASP 67 13.878 -1.445 -11.918 516 1HB ASP 67 2HB ASP 67 14.196 -2.690 -9.179 517 2HB ASP 67 1HB ASP 67 15.383 -1.630 -9.932 518 H GLU 68 H GLU 68 13.306 -3.915 -13.127 519 HA GLU 68 HA GLU 68 15.967 -5.167 -13.056 520 1HB GLU 68 2HB GLU 68 13.320 -6.586 -13.399 521 2HB GLU 68 1HB GLU 68 14.900 -7.342 -13.540 522 1HG GLU 68 2HG GLU 68 15.355 -6.754 -11.189 523 2HG GLU 68 1HG GLU 68 13.725 -6.094 -11.067 524 H SER 69 H SER 69 15.157 -3.071 -14.760 525 HA SER 69 HA SER 69 14.918 -4.437 -17.354 526 1HB SER 69 2HB SER 69 13.871 -1.867 -16.323 527 2HB SER 69 1HB SER 69 14.458 -1.849 -17.987 528 HG SER 69 HG SER 69 12.994 -3.426 -18.513 529 H LYS 70 H LYS 70 16.861 -2.339 -15.418 530 HA LYS 70 HA LYS 70 18.843 -2.210 -17.593 531 1HB LYS 70 2HB LYS 70 18.247 -0.121 -15.494 532 2HB LYS 70 1HB LYS 70 19.607 -0.053 -16.606 533 1HG LYS 70 2HG LYS 70 17.990 -0.063 -18.492 534 2HG LYS 70 1HG LYS 70 16.682 0.039 -17.310 535 1HD LYS 70 2HD LYS 70 17.687 2.138 -16.452 536 2HD LYS 70 1HD LYS 70 18.893 2.048 -17.739 537 1HE LYS 70 2HE LYS 70 17.333 3.451 -18.682 538 2HE LYS 70 1HE LYS 70 16.799 1.886 -19.290 539 1HZ LYS 70 1HZ LYS 70 15.693 3.086 -16.820 540 2HZ LYS 70 2HZ LYS 70 15.063 1.810 -17.731 541 3HZ LYS 70 3HZ LYS 70 15.028 3.384 -18.347 542 H LYS 71 H LYS 71 18.200 -3.599 -14.694 543 HA LYS 71 HA LYS 71 19.453 -4.655 -13.116 544 1HB LYS 71 2HB LYS 71 21.600 -4.238 -15.198 545 2HB LYS 71 1HB LYS 71 21.833 -5.186 -13.737 546 1HG LYS 71 2HG LYS 71 20.892 -6.965 -14.662 547 2HG LYS 71 1HG LYS 71 19.460 -6.041 -15.115 548 1HD LYS 71 2HD LYS 71 20.491 -6.983 -17.093 549 2HD LYS 71 1HD LYS 71 20.653 -5.226 -17.114 550 1HE LYS 71 2HE LYS 71 22.848 -6.816 -15.897 551 2HE LYS 71 1HE LYS 71 22.690 -6.839 -17.653 552 1HZ LYS 71 1HZ LYS 71 22.485 -4.232 -17.174 553 2HZ LYS 71 2HZ LYS 71 23.956 -5.005 -17.490 554 3HZ LYS 71 3HZ LYS 71 23.500 -4.677 -15.894 555 H ARG 72 H ARG 72 19.149 -3.056 -11.620 556 HA ARG 72 HA ARG 72 20.702 -0.742 -11.355 557 1HB ARG 72 2HB ARG 72 18.546 -1.870 -10.040 558 2HB ARG 72 1HB ARG 72 19.817 -1.914 -8.826 559 1HG ARG 72 2HG ARG 72 20.180 0.494 -9.143 560 2HG ARG 72 1HG ARG 72 18.865 0.520 -10.321 561 1HD ARG 72 2HD ARG 72 17.338 -0.322 -8.551 562 2HD ARG 72 1HD ARG 72 18.662 -0.182 -7.395 563 HE ARG 72 HE ARG 72 17.046 1.943 -8.444 564 1HH1 ARG 72 1HH1 ARG 72 20.152 1.143 -7.070 565 2HH1 ARG 72 2HH1 ARG 72 20.446 2.744 -6.480 566 1HH2 ARG 72 1HH2 ARG 72 17.429 4.051 -7.669 567 2HH2 ARG 72 2HH2 ARG 72 18.898 4.395 -6.820 568 H LYS 73 H LYS 73 21.562 -0.986 -8.660 569 HA LYS 73 HA LYS 73 23.647 -3.012 -8.662 570 1HB LYS 73 2HB LYS 73 24.251 -0.052 -8.527 571 2HB LYS 73 1HB LYS 73 25.416 -1.329 -8.209 572 1HG LYS 73 2HG LYS 73 25.088 -2.146 -10.523 573 2HG LYS 73 1HG LYS 73 24.029 -0.765 -10.820 574 1HD LYS 73 2HD LYS 73 25.911 0.740 -10.221 575 2HD LYS 73 1HD LYS 73 26.951 -0.677 -10.073 576 1HE LYS 73 2HE LYS 73 27.422 -0.159 -12.229 577 2HE LYS 73 1HE LYS 73 25.977 -1.128 -12.517 578 1HZ LYS 73 1HZ LYS 73 25.791 1.790 -12.111 579 2HZ LYS 73 2HZ LYS 73 24.692 0.753 -12.874 580 3HZ LYS 73 3HZ LYS 73 26.151 1.148 -13.635 581 H ASP 74 H ASP 74 25.124 -2.402 -6.565 582 HA ASP 74 HA ASP 74 23.422 -1.543 -4.363 583 1HB ASP 74 2HB ASP 74 24.288 -4.336 -4.846 584 2HB ASP 74 1HB ASP 74 24.455 -3.747 -3.194 585 H ASN 75 H ASN 75 24.785 -1.769 -2.230 586 HA ASN 75 HA ASN 75 27.025 -0.106 -2.529 587 1HB ASN 75 2HB ASN 75 26.135 -1.783 -0.180 588 2HB ASN 75 1HB ASN 75 27.425 -0.587 -0.105 589 1HD2 ASN 75 1HD2 ASN 75 25.231 -0.426 1.528 590 2HD2 ASN 75 2HD2 ASN 75 24.275 0.941 1.080 591 H GLU 76 H GLU 76 26.686 -3.547 -2.463 592 HA GLU 76 HA GLU 76 29.599 -3.803 -2.774 593 1HB GLU 76 2HB GLU 76 27.703 -5.503 -1.178 594 2HB GLU 76 1HB GLU 76 29.243 -6.136 -1.741 595 1HG GLU 76 2HG GLU 76 30.403 -4.340 -0.535 596 2HG GLU 76 1HG GLU 76 28.850 -3.754 0.057 597 H GLY 77 H GLY 77 27.701 -3.469 -4.855 598 1HA GLY 77 2HA GLY 77 27.055 -4.388 -6.861 599 2HA GLY 77 1HA GLY 77 28.510 -5.359 -6.696 600 H ASN 78 H ASN 78 25.850 -5.544 -4.434 601 HA ASN 78 HA ASN 78 25.461 -8.337 -5.208 602 1HB ASN 78 2HB ASN 78 24.516 -6.812 -2.772 603 2HB ASN 78 1HB ASN 78 24.236 -8.526 -3.060 604 1HD2 ASN 78 1HD2 ASN 78 26.590 -9.421 -3.982 605 2HD2 ASN 78 2HD2 ASN 78 27.831 -9.211 -2.799 606 H GLU 79 H GLU 79 23.582 -9.143 -5.989 607 HA GLU 79 HA GLU 79 21.330 -7.270 -6.307 608 1HB GLU 79 2HB GLU 79 22.559 -7.591 -8.437 609 2HB GLU 79 1HB GLU 79 22.250 -9.319 -8.330 610 1HG GLU 79 2HG GLU 79 19.826 -8.851 -8.402 611 2HG GLU 79 1HG GLU 79 20.194 -7.142 -8.623 612 H VAL 80 H VAL 80 19.335 -8.040 -5.842 613 HA VAL 80 HA VAL 80 18.648 -10.793 -5.837 614 HB VAL 80 HB VAL 80 20.031 -10.824 -3.814 615 1HG1 VAL 80 1HG1 VAL 80 18.499 -8.402 -3.215 616 2HG1 VAL 80 2HG1 VAL 80 20.097 -8.901 -2.663 617 3HG1 VAL 80 3HG1 VAL 80 18.654 -9.516 -1.855 618 1HG2 VAL 80 1HG2 VAL 80 18.581 -12.088 -2.539 619 2HG2 VAL 80 2HG2 VAL 80 17.769 -12.086 -4.105 620 3HG2 VAL 80 3HG2 VAL 80 17.217 -11.007 -2.825 621 H VAL 81 H VAL 81 17.292 -9.039 -7.130 622 HA VAL 81 HA VAL 81 14.929 -8.459 -5.468 623 HB VAL 81 HB VAL 81 14.487 -6.520 -7.023 624 1HG1 VAL 81 1HG1 VAL 81 16.510 -5.179 -5.941 625 2HG1 VAL 81 2HG1 VAL 81 16.643 -6.661 -4.993 626 3HG1 VAL 81 3HG1 VAL 81 15.138 -5.742 -4.988 627 1HG2 VAL 81 1HG2 VAL 81 17.294 -7.185 -7.871 628 2HG2 VAL 81 2HG2 VAL 81 16.593 -5.581 -8.089 629 3HG2 VAL 81 3HG2 VAL 81 15.863 -6.978 -8.880 630 HA PRO 82 HA PRO 82 13.864 -11.159 -9.147 631 1HB PRO 82 2HB PRO 82 12.555 -13.070 -7.738 632 2HB PRO 82 1HB PRO 82 14.300 -13.112 -8.014 633 1HG PRO 82 2HG PRO 82 12.786 -12.197 -5.598 634 2HG PRO 82 1HG PRO 82 14.253 -13.190 -5.690 635 1HD PRO 82 2HD PRO 82 14.317 -10.543 -5.119 636 2HD PRO 82 1HD PRO 82 15.622 -11.362 -5.998 637 H LYS 83 H LYS 83 12.153 -10.426 -10.222 638 HA LYS 83 HA LYS 83 10.081 -9.639 -10.726 639 1HB LYS 83 2HB LYS 83 9.609 -11.599 -8.550 640 2HB LYS 83 1HB LYS 83 8.283 -10.508 -8.928 641 1HG LYS 83 2HG LYS 83 8.947 -11.303 -11.409 642 2HG LYS 83 1HG LYS 83 9.408 -12.736 -10.487 643 1HD LYS 83 2HD LYS 83 7.078 -12.479 -9.386 644 2HD LYS 83 1HD LYS 83 6.714 -11.460 -10.781 645 1HE LYS 83 2HE LYS 83 6.095 -13.409 -11.723 646 2HE LYS 83 1HE LYS 83 7.825 -13.592 -12.007 647 1HZ LYS 83 1HZ LYS 83 6.716 -14.540 -9.465 648 2HZ LYS 83 2HZ LYS 83 8.030 -15.129 -10.352 649 3HZ LYS 83 3HZ LYS 83 6.451 -15.470 -10.853 650 HA PRO 84 HA PRO 84 9.282 -5.960 -8.442 651 1HB PRO 84 2HB PRO 84 6.615 -5.572 -8.759 652 2HB PRO 84 1HB PRO 84 7.779 -5.348 -10.070 653 1HG PRO 84 2HG PRO 84 6.007 -7.691 -9.492 654 2HG PRO 84 1HG PRO 84 6.361 -6.912 -11.047 655 1HD PRO 84 2HD PRO 84 7.563 -9.206 -10.262 656 2HD PRO 84 1HD PRO 84 8.382 -7.998 -11.273 657 H GLN 85 H GLN 85 8.846 -5.301 -6.394 658 HA GLN 85 HA GLN 85 7.846 -7.270 -4.537 659 1HB GLN 85 2HB GLN 85 8.855 -4.448 -4.140 660 2HB GLN 85 1HB GLN 85 8.374 -5.516 -2.828 661 1HG GLN 85 2HG GLN 85 10.126 -7.084 -3.434 662 2HG GLN 85 1HG GLN 85 10.589 -6.060 -4.793 663 1HE2 GLN 85 1HE2 GLN 85 12.409 -6.800 -2.876 664 2HE2 GLN 85 2HE2 GLN 85 12.868 -5.416 -1.951 665 H ARG 86 H ARG 86 5.804 -7.461 -3.905 666 HA ARG 86 HA ARG 86 4.012 -5.146 -4.252 667 1HB ARG 86 2HB ARG 86 3.151 -8.035 -4.267 668 2HB ARG 86 1HB ARG 86 2.219 -6.629 -4.763 669 1HG ARG 86 2HG ARG 86 2.810 -7.263 -6.826 670 2HG ARG 86 1HG ARG 86 4.329 -6.449 -6.445 671 1HD ARG 86 2HD ARG 86 4.924 -8.567 -7.298 672 2HD ARG 86 1HD ARG 86 5.143 -8.669 -5.552 673 HE ARG 86 HE ARG 86 2.570 -9.554 -6.109 674 1HH1 ARG 86 1HH1 ARG 86 5.849 -10.516 -6.813 675 2HH1 ARG 86 2HH1 ARG 86 5.465 -12.201 -6.919 676 1HH2 ARG 86 1HH2 ARG 86 2.062 -11.770 -6.248 677 2HH2 ARG 86 2HH2 ARG 86 3.315 -12.913 -6.599 678 H HIS 87 H HIS 87 2.657 -4.580 -2.607 679 HA HIS 87 HA HIS 87 3.160 -5.891 -0.029 680 1HB HIS 87 2HB HIS 87 2.376 -3.118 -0.834 681 2HB HIS 87 1HB HIS 87 1.914 -3.703 0.760 682 HD1 HIS 87 HD1 HIS 87 3.572 -3.212 2.519 683 HD2 HIS 87 HD2 HIS 87 5.345 -3.499 -1.228 684 HE1 HIS 87 HE1 HIS 87 6.003 -2.688 2.886 685 HE2 HIS 87 HE2 HIS 87 7.073 -2.956 0.620 686 H MET 88 H MET 88 1.692 -7.352 0.535 687 HA MET 88 HA MET 88 -1.055 -7.086 -0.424 688 1HB MET 88 2HB MET 88 0.172 -9.244 -0.699 689 2HB MET 88 1HB MET 88 0.220 -9.394 1.052 690 1HG MET 88 2HG MET 88 -2.279 -9.316 1.040 691 2HG MET 88 1HG MET 88 -2.208 -9.403 -0.719 692 1HE MET 88 1HE MET 88 -0.472 -10.910 -1.731 693 2HE MET 88 2HE MET 88 -1.274 -12.475 -1.840 694 3HE MET 88 3HE MET 88 0.244 -12.324 -0.957 695 H PHE 89 H PHE 89 -2.590 -6.274 0.826 696 HA PHE 89 HA PHE 89 -2.161 -6.244 3.741 697 1HB PHE 89 2HB PHE 89 -3.613 -4.321 1.927 698 2HB PHE 89 1HB PHE 89 -3.819 -4.310 3.676 699 HD1 PHE 89 HD1 PHE 89 -1.910 -3.767 5.138 700 HD2 PHE 89 HD2 PHE 89 -1.677 -3.420 0.904 701 HE1 PHE 89 HE1 PHE 89 0.086 -2.344 5.369 702 HE2 PHE 89 HE2 PHE 89 0.318 -1.999 1.125 703 HZ PHE 89 HZ PHE 89 1.203 -1.459 3.360 704 H SER 90 H SER 90 -4.042 -6.466 5.100 705 HA SER 90 HA SER 90 -6.230 -7.970 3.819 706 1HB SER 90 2HB SER 90 -5.807 -8.669 6.615 707 2HB SER 90 1HB SER 90 -5.935 -9.717 5.204 708 HG SER 90 HG SER 90 -3.696 -9.084 4.771 709 H PHE 91 H PHE 91 -8.108 -6.950 4.009 710 HA PHE 91 HA PHE 91 -8.449 -4.987 6.144 711 1HB PHE 91 2HB PHE 91 -9.693 -5.405 3.461 712 2HB PHE 91 1HB PHE 91 -10.590 -4.520 4.691 713 HD1 PHE 91 HD1 PHE 91 -7.539 -4.556 2.647 714 HD2 PHE 91 HD2 PHE 91 -9.980 -2.330 5.325 715 HE1 PHE 91 HE1 PHE 91 -6.271 -2.524 2.095 716 HE2 PHE 91 HE2 PHE 91 -8.717 -0.281 4.779 717 HZ PHE 91 HZ PHE 91 -6.859 -0.378 3.162 718 H ASN 92 H ASN 92 -10.041 -5.071 7.633 719 HA ASN 92 HA ASN 92 -11.493 -7.605 7.840 720 1HB ASN 92 2HB ASN 92 -10.885 -5.460 9.883 721 2HB ASN 92 1HB ASN 92 -11.913 -6.854 10.207 722 1HD2 ASN 92 1HD2 ASN 92 -10.666 -8.917 9.110 723 2HD2 ASN 92 2HD2 ASN 92 -9.095 -9.143 9.792 724 H ASN 93 H ASN 93 -12.088 -4.888 6.323 725 HA ASN 93 HA ASN 93 -14.928 -5.077 6.728 726 1HB ASN 93 2HB ASN 93 -14.116 -3.443 8.470 727 2HB ASN 93 1HB ASN 93 -13.621 -2.391 7.146 728 1HD2 ASN 93 1HD2 ASN 93 -15.229 -1.134 8.620 729 2HD2 ASN 93 2HD2 ASN 93 -16.863 -1.124 8.056 730 H ARG 94 H ARG 94 -15.971 -4.804 4.865 731 HA ARG 94 HA ARG 94 -14.551 -4.298 2.468 732 1HB ARG 94 2HB ARG 94 -17.487 -4.537 3.103 733 2HB ARG 94 1HB ARG 94 -16.911 -4.203 1.476 734 1HG ARG 94 2HG ARG 94 -15.512 -6.305 1.691 735 2HG ARG 94 1HG ARG 94 -16.458 -6.659 3.139 736 1HD ARG 94 2HD ARG 94 -17.327 -7.760 1.090 737 2HD ARG 94 1HD ARG 94 -18.494 -6.693 1.870 738 HE ARG 94 HE ARG 94 -16.978 -5.434 -0.224 739 1HH1 ARG 94 1HH1 ARG 94 -19.815 -7.323 0.522 740 2HH1 ARG 94 2HH1 ARG 94 -20.676 -6.819 -0.894 741 1HH2 ARG 94 1HH2 ARG 94 -18.109 -4.768 -2.085 742 2HH2 ARG 94 2HH2 ARG 94 -19.708 -5.368 -2.373 743 H THR 95 H THR 95 -16.329 -2.269 4.660 744 HA THR 95 HA THR 95 -16.648 -0.090 2.864 745 HB THR 95 HB THR 95 -17.248 -0.696 5.665 746 HG1 THR 95 HG1 THR 95 -19.011 -0.519 4.499 747 1HG2 THR 95 1HG2 THR 95 -16.504 2.102 4.899 748 2HG2 THR 95 2HG2 THR 95 -15.955 1.154 6.281 749 3HG2 THR 95 3HG2 THR 95 -17.619 1.732 6.214 750 H VAL 96 H VAL 96 -14.437 -0.886 5.457 751 HA VAL 96 HA VAL 96 -12.879 1.468 5.240 752 HB VAL 96 HB VAL 96 -12.057 -1.189 6.413 753 1HG1 VAL 96 1HG1 VAL 96 -10.726 0.618 7.861 754 2HG1 VAL 96 2HG1 VAL 96 -10.820 1.499 6.335 755 3HG1 VAL 96 3HG1 VAL 96 -10.069 -0.097 6.389 756 1HG2 VAL 96 1HG2 VAL 96 -13.242 -0.757 8.266 757 2HG2 VAL 96 2HG2 VAL 96 -14.156 0.354 7.247 758 3HG2 VAL 96 3HG2 VAL 96 -12.830 0.956 8.243 759 H MET 97 H MET 97 -12.778 -1.669 3.741 760 HA MET 97 HA MET 97 -10.186 -1.262 2.557 761 1HB MET 97 2HB MET 97 -10.373 -3.405 1.687 762 2HB MET 97 1HB MET 97 -11.346 -3.513 3.145 763 1HG MET 97 2HG MET 97 -12.747 -4.528 1.684 764 2HG MET 97 1HG MET 97 -13.283 -2.862 1.478 765 1HE MET 97 1HE MET 97 -10.914 -5.413 -1.504 766 2HE MET 97 2HE MET 97 -11.628 -5.937 0.021 767 3HE MET 97 3HE MET 97 -10.156 -4.967 0.025 768 H ASP 98 H ASP 98 -13.521 -0.769 1.654 769 HA ASP 98 HA ASP 98 -12.918 -0.251 -1.099 770 1HB ASP 98 2HB ASP 98 -15.101 -1.196 -0.377 771 2HB ASP 98 1HB ASP 98 -15.458 0.326 0.430 772 H ASN 99 H ASN 99 -13.135 1.561 1.826 773 HA ASN 99 HA ASN 99 -13.461 4.116 0.608 774 1HB ASN 99 2HB ASN 99 -12.912 3.119 3.358 775 2HB ASN 99 1HB ASN 99 -12.514 4.796 2.998 776 1HD2 ASN 99 1HD2 ASN 99 -15.169 2.741 1.880 777 2HD2 ASN 99 2HD2 ASN 99 -16.435 3.757 2.472 778 H ILE 100 H ILE 100 -10.791 2.087 1.440 779 HA ILE 100 HA ILE 100 -8.814 4.173 1.077 780 HB ILE 100 HB ILE 100 -8.472 1.201 1.503 781 1HG1 ILE 100 2HG1 ILE 100 -9.519 2.517 3.381 782 2HG1 ILE 100 1HG1 ILE 100 -8.008 1.714 3.794 783 1HG2 ILE 100 1HG2 ILE 100 -6.135 1.723 2.000 784 2HG2 ILE 100 2HG2 ILE 100 -6.423 3.411 1.579 785 3HG2 ILE 100 3HG2 ILE 100 -6.561 2.158 0.345 786 1HD1 ILE 100 1HD1 ILE 100 -8.167 4.605 2.997 787 2HD1 ILE 100 2HD1 ILE 100 -6.810 3.752 3.736 788 3HD1 ILE 100 3HD1 ILE 100 -8.280 4.044 4.667 789 H LYS 101 H LYS 101 -9.948 1.289 -0.633 790 HA LYS 101 HA LYS 101 -8.077 1.192 -2.672 791 1HB LYS 101 2HB LYS 101 -9.546 -0.229 -3.811 792 2HB LYS 101 1HB LYS 101 -9.983 -0.441 -2.123 793 1HG LYS 101 2HG LYS 101 -11.945 0.856 -2.369 794 2HG LYS 101 1HG LYS 101 -11.448 1.434 -3.960 795 1HD LYS 101 2HD LYS 101 -13.128 -0.263 -4.241 796 2HD LYS 101 1HD LYS 101 -11.578 -0.900 -4.793 797 1HE LYS 101 2HE LYS 101 -11.509 -1.684 -2.224 798 2HE LYS 101 1HE LYS 101 -13.252 -1.692 -2.491 799 1HZ LYS 101 1HZ LYS 101 -13.117 -3.437 -3.881 800 2HZ LYS 101 2HZ LYS 101 -11.663 -3.744 -3.072 801 3HZ LYS 101 3HZ LYS 101 -11.648 -2.944 -4.563 802 H MET 102 H MET 102 -10.904 3.257 -2.345 803 HA MET 102 HA MET 102 -10.713 4.283 -5.014 804 1HB MET 102 2HB MET 102 -12.305 5.204 -2.626 805 2HB MET 102 1HB MET 102 -12.430 5.922 -4.226 806 1HG MET 102 2HG MET 102 -13.101 3.700 -5.106 807 2HG MET 102 1HG MET 102 -13.118 3.100 -3.449 808 1HE MET 102 1HE MET 102 -15.867 4.575 -1.681 809 2HE MET 102 2HE MET 102 -14.920 6.029 -1.995 810 3HE MET 102 3HE MET 102 -14.106 4.503 -1.647 811 H THR 103 H THR 103 -9.985 5.544 -1.810 812 HA THR 103 HA THR 103 -9.067 8.060 -2.657 813 HB THR 103 HB THR 103 -9.641 7.195 -0.265 814 HG1 THR 103 HG1 THR 103 -7.412 8.905 -0.618 815 1HG2 THR 103 1HG2 THR 103 -7.711 6.721 1.129 816 2HG2 THR 103 2HG2 THR 103 -6.678 6.680 -0.299 817 3HG2 THR 103 3HG2 THR 103 -7.939 5.468 -0.089 818 H LEU 104 H LEU 104 -7.404 4.988 -2.186 819 HA LEU 104 HA LEU 104 -4.788 5.958 -2.627 820 1HB LEU 104 2HB LEU 104 -6.043 3.235 -2.852 821 2HB LEU 104 1HB LEU 104 -4.361 3.501 -3.266 822 HG LEU 104 HG LEU 104 -5.633 3.928 -0.563 823 1HD1 LEU 104 1HD1 LEU 104 -5.012 1.576 -1.514 824 2HD1 LEU 104 2HD1 LEU 104 -4.579 2.012 0.139 825 3HD1 LEU 104 3HD1 LEU 104 -3.364 2.081 -1.138 826 1HD2 LEU 104 1HD2 LEU 104 -3.992 5.632 -0.834 827 2HD2 LEU 104 2HD2 LEU 104 -2.845 4.499 -1.548 828 3HD2 LEU 104 3HD2 LEU 104 -3.272 4.365 0.158 829 H GLN 105 H GLN 105 -7.355 4.907 -4.769 830 HA GLN 105 HA GLN 105 -5.789 4.675 -7.108 831 1HB GLN 105 2HB GLN 105 -8.712 4.977 -6.560 832 2HB GLN 105 1HB GLN 105 -8.123 5.142 -8.208 833 1HG GLN 105 2HG GLN 105 -7.218 2.919 -8.165 834 2HG GLN 105 1HG GLN 105 -7.627 2.745 -6.459 835 1HE2 GLN 105 1HE2 GLN 105 -8.785 2.674 -9.703 836 2HE2 GLN 105 2HE2 GLN 105 -10.379 2.107 -9.352 837 H GLN 106 H GLN 106 -7.346 7.355 -5.533 838 HA GLN 106 HA GLN 106 -7.176 9.189 -7.674 839 1HB GLN 106 2HB GLN 106 -7.227 9.703 -4.692 840 2HB GLN 106 1HB GLN 106 -7.457 10.931 -5.929 841 1HG GLN 106 2HG GLN 106 -9.235 8.554 -5.432 842 2HG GLN 106 1HG GLN 106 -9.578 10.227 -4.996 843 1HE2 GLN 106 1HE2 GLN 106 -10.567 8.020 -7.010 844 2HE2 GLN 106 2HE2 GLN 106 -10.871 8.947 -8.436 845 H ILE 107 H ILE 107 -4.990 8.368 -5.027 846 HA ILE 107 HA ILE 107 -3.069 10.358 -5.444 847 HB ILE 107 HB ILE 107 -2.691 7.523 -4.462 848 1HG1 ILE 107 2HG1 ILE 107 -2.838 10.067 -2.843 849 2HG1 ILE 107 1HG1 ILE 107 -4.259 9.091 -3.201 850 1HG2 ILE 107 1HG2 ILE 107 -0.509 7.892 -4.411 851 2HG2 ILE 107 2HG2 ILE 107 -0.762 9.310 -3.394 852 3HG2 ILE 107 3HG2 ILE 107 -0.752 9.474 -5.150 853 1HD1 ILE 107 1HD1 ILE 107 -2.119 8.659 -1.267 854 2HD1 ILE 107 2HD1 ILE 107 -2.541 7.230 -2.210 855 3HD1 ILE 107 3HD1 ILE 107 -3.781 8.070 -1.281 856 H ILE 108 H ILE 108 -3.454 7.155 -6.872 857 HA ILE 108 HA ILE 108 -1.150 6.956 -8.400 858 HB ILE 108 HB ILE 108 -3.831 6.140 -9.475 859 1HG1 ILE 108 2HG1 ILE 108 -3.965 5.341 -7.261 860 2HG1 ILE 108 1HG1 ILE 108 -3.439 3.962 -8.218 861 1HG2 ILE 108 1HG2 ILE 108 -1.012 5.242 -9.834 862 2HG2 ILE 108 2HG2 ILE 108 -2.231 5.646 -11.042 863 3HG2 ILE 108 3HG2 ILE 108 -2.346 4.130 -10.147 864 1HD1 ILE 108 1HD1 ILE 108 -2.271 4.188 -6.056 865 2HD1 ILE 108 2HD1 ILE 108 -1.601 5.721 -6.618 866 3HD1 ILE 108 3HD1 ILE 108 -1.187 4.220 -7.447 867 H SER 109 H SER 109 -4.260 8.267 -9.288 868 HA SER 109 HA SER 109 -3.702 9.132 -11.858 869 1HB SER 109 2HB SER 109 -5.694 10.337 -11.773 870 2HB SER 109 1HB SER 109 -5.936 9.132 -10.509 871 HG SER 109 HG SER 109 -5.021 10.844 -9.077 872 H ARG 110 H ARG 110 -3.032 10.671 -8.809 873 HA ARG 110 HA ARG 110 -2.273 13.187 -9.837 874 1HB ARG 110 2HB ARG 110 -1.498 11.832 -7.253 875 2HB ARG 110 1HB ARG 110 -1.177 13.519 -7.630 876 1HG ARG 110 2HG ARG 110 -3.627 13.869 -7.866 877 2HG ARG 110 1HG ARG 110 -3.868 12.212 -7.308 878 1HD ARG 110 2HD ARG 110 -2.609 12.805 -5.237 879 2HD ARG 110 1HD ARG 110 -2.588 14.479 -5.790 880 HE ARG 110 HE ARG 110 -5.220 13.328 -5.673 881 1HH1 ARG 110 1HH1 ARG 110 -2.738 14.987 -3.866 882 2HH1 ARG 110 2HH1 ARG 110 -3.844 15.639 -2.703 883 1HH2 ARG 110 1HH2 ARG 110 -6.677 14.184 -4.145 884 2HH2 ARG 110 2HH2 ARG 110 -6.080 15.183 -2.861 885 H TYR 111 H TYR 111 -0.586 10.185 -9.380 886 HA TYR 111 HA TYR 111 2.033 11.246 -9.751 887 1HB TYR 111 2HB TYR 111 0.854 8.498 -9.711 888 2HB TYR 111 1HB TYR 111 2.489 8.723 -10.325 889 HD1 TYR 111 HD1 TYR 111 4.217 9.771 -8.808 890 HD2 TYR 111 HD2 TYR 111 0.425 8.458 -7.396 891 HE1 TYR 111 HE1 TYR 111 5.089 9.750 -6.509 892 HE2 TYR 111 HE2 TYR 111 1.287 8.433 -5.092 893 HH TYR 111 HH TYR 111 3.463 8.262 -3.940 894 H LYS 112 H LYS 112 -0.488 10.159 -11.849 895 HA LYS 112 HA LYS 112 1.085 9.802 -14.180 896 1HB LYS 112 2HB LYS 112 -1.863 10.432 -13.971 897 2HB LYS 112 1HB LYS 112 -1.039 9.785 -15.382 898 1HG LYS 112 2HG LYS 112 -1.347 8.401 -12.725 899 2HG LYS 112 1HG LYS 112 -2.253 8.048 -14.197 900 1HD LYS 112 2HD LYS 112 -0.645 6.675 -14.884 901 2HD LYS 112 1HD LYS 112 0.534 7.985 -14.803 902 1HE LYS 112 2HE LYS 112 0.857 7.518 -12.409 903 2HE LYS 112 1HE LYS 112 -0.286 6.181 -12.529 904 1HZ LYS 112 1HZ LYS 112 2.288 5.803 -12.744 905 2HZ LYS 112 2HZ LYS 112 1.997 6.205 -14.361 906 3HZ LYS 112 3HZ LYS 112 1.192 4.895 -13.658 907 H ASP 113 H ASP 113 -0.560 12.530 -12.718 908 HA ASP 113 HA ASP 113 -0.521 14.304 -14.880 909 1HB ASP 113 2HB ASP 113 -1.743 14.664 -12.733 910 2HB ASP 113 1HB ASP 113 -0.202 15.013 -11.956 911 H ALA 114 H ALA 114 1.949 13.499 -12.502 912 HA ALA 114 HA ALA 114 3.775 15.543 -13.084 913 1HB ALA 114 1HB ALA 114 5.419 14.199 -11.969 914 2HB ALA 114 2HB ALA 114 4.454 12.742 -12.198 915 3HB ALA 114 3HB ALA 114 3.884 14.018 -11.120 916 H ASP 115 H ASP 115 3.104 12.505 -14.683 917 HA ASP 115 HA ASP 115 5.445 12.592 -16.351 918 1HB ASP 115 2HB ASP 115 2.936 10.907 -16.480 919 2HB ASP 115 1HB ASP 115 4.316 10.708 -17.558 Start of MODEL 17 1 HT1 PRO 1 HT2 PRO 1 -13.478 9.673 8.070 2 HT2 PRO 1 HT1 PRO 1 -14.174 9.082 6.629 3 HA PRO 1 HA PRO 1 -11.833 8.337 7.873 4 1HB PRO 1 2HB PRO 1 -13.356 5.855 7.469 5 2HB PRO 1 1HB PRO 1 -12.246 6.298 8.771 6 1HG PRO 1 2HG PRO 1 -14.936 6.197 9.117 7 2HG PRO 1 1HG PRO 1 -13.892 7.309 10.014 8 1HD PRO 1 2HD PRO 1 -15.715 7.858 7.711 9 2HD PRO 1 1HD PRO 1 -15.311 8.885 9.100 10 H SER 2 H SER 2 -11.219 9.180 5.824 11 HA SER 2 HA SER 2 -11.799 7.391 3.554 12 1HB SER 2 2HB SER 2 -12.724 9.481 2.970 13 2HB SER 2 1HB SER 2 -11.362 10.372 3.653 14 HG SER 2 HG SER 2 -11.629 9.146 1.185 15 H HIS 3 H HIS 3 -9.352 9.910 4.098 16 HA HIS 3 HA HIS 3 -7.300 8.508 2.801 17 1HB HIS 3 2HB HIS 3 -7.294 10.826 4.719 18 2HB HIS 3 1HB HIS 3 -5.796 10.163 4.074 19 HD1 HIS 3 HD1 HIS 3 -8.868 12.053 3.045 20 HD2 HIS 3 HD2 HIS 3 -5.253 10.803 1.423 21 HE1 HIS 3 HE1 HIS 3 -8.663 13.262 0.850 22 HE2 HIS 3 HE2 HIS 3 -6.509 12.424 -0.153 23 H SER 4 H SER 4 -8.501 8.320 6.024 24 HA SER 4 HA SER 4 -6.308 6.477 6.716 25 1HB SER 4 2HB SER 4 -6.631 7.129 9.079 26 2HB SER 4 1HB SER 4 -6.163 8.502 8.077 27 HG SER 4 HG SER 4 -7.959 8.858 9.573 28 H GLY 5 H GLY 5 -6.860 4.475 7.251 29 1HA GLY 5 2HA GLY 5 -9.425 3.847 8.418 30 2HA GLY 5 1HA GLY 5 -9.237 3.277 6.765 31 H ALA 6 H ALA 6 -9.528 1.752 9.280 32 HA ALA 6 HA ALA 6 -7.057 0.641 10.036 33 1HB ALA 6 1HB ALA 6 -9.806 -0.576 10.189 34 2HB ALA 6 2HB ALA 6 -9.014 0.396 11.431 35 3HB ALA 6 3HB ALA 6 -8.364 -1.186 11.001 36 H ALA 7 H ALA 7 -5.896 -1.042 9.311 37 HA ALA 7 HA ALA 7 -6.910 -2.844 7.311 38 1HB ALA 7 1HB ALA 7 -4.632 -1.005 6.601 39 2HB ALA 7 2HB ALA 7 -6.270 -0.913 5.949 40 3HB ALA 7 3HB ALA 7 -5.262 -2.318 5.603 41 H ILE 8 H ILE 8 -5.646 -4.711 7.022 42 HA ILE 8 HA ILE 8 -3.686 -5.156 9.150 43 HB ILE 8 HB ILE 8 -4.871 -7.172 7.250 44 1HG1 ILE 8 2HG1 ILE 8 -5.736 -6.719 10.095 45 2HG1 ILE 8 1HG1 ILE 8 -6.534 -5.935 8.731 46 1HG2 ILE 8 1HG2 ILE 8 -3.892 -8.828 8.479 47 2HG2 ILE 8 2HG2 ILE 8 -3.837 -7.859 9.949 48 3HG2 ILE 8 3HG2 ILE 8 -2.679 -7.563 8.656 49 1HD1 ILE 8 1HD1 ILE 8 -6.144 -8.883 8.722 50 2HD1 ILE 8 2HD1 ILE 8 -7.374 -7.901 7.919 51 3HD1 ILE 8 3HD1 ILE 8 -7.456 -8.166 9.663 52 H PHE 9 H PHE 9 -1.623 -5.830 8.791 53 HA PHE 9 HA PHE 9 -0.712 -6.252 6.058 54 1HB PHE 9 2HB PHE 9 -0.369 -3.854 6.418 55 2HB PHE 9 1HB PHE 9 0.530 -4.193 7.892 56 HD1 PHE 9 HD1 PHE 9 0.599 -5.425 4.370 57 HD2 PHE 9 HD2 PHE 9 2.783 -3.890 7.679 58 HE1 PHE 9 HE1 PHE 9 2.677 -5.568 3.058 59 HE2 PHE 9 HE2 PHE 9 4.867 -4.027 6.376 60 HZ PHE 9 HZ PHE 9 4.815 -4.868 4.061 61 H GLU 10 H GLU 10 0.041 -8.246 6.257 62 HA GLU 10 HA GLU 10 1.496 -9.915 6.780 63 1HB GLU 10 2HB GLU 10 2.651 -8.098 8.891 64 2HB GLU 10 1HB GLU 10 3.386 -9.542 8.216 65 1HG GLU 10 2HG GLU 10 2.812 -6.999 6.713 66 2HG GLU 10 1HG GLU 10 4.388 -7.508 7.322 67 H LYS 11 H LYS 11 -1.001 -10.105 7.721 68 HA LYS 11 HA LYS 11 -2.303 -11.200 9.187 69 1HB LYS 11 2HB LYS 11 0.426 -12.167 9.827 70 2HB LYS 11 1HB LYS 11 -0.904 -12.646 10.874 71 1HG LYS 11 2HG LYS 11 -2.024 -13.735 9.098 72 2HG LYS 11 1HG LYS 11 -0.958 -13.003 7.895 73 1HD LYS 11 2HD LYS 11 0.934 -14.274 8.826 74 2HD LYS 11 1HD LYS 11 -0.157 -15.024 9.993 75 1HE LYS 11 2HE LYS 11 -1.193 -16.316 8.398 76 2HE LYS 11 1HE LYS 11 -0.809 -15.198 7.090 77 1HZ LYS 11 1HZ LYS 11 0.445 -17.379 7.143 78 2HZ LYS 11 2HZ LYS 11 1.285 -16.763 8.474 79 3HZ LYS 11 3HZ LYS 11 1.379 -15.978 6.980 80 H VAL 12 H VAL 12 -0.888 -8.501 9.974 81 HA VAL 12 HA VAL 12 -1.830 -8.590 12.733 82 HB VAL 12 HB VAL 12 0.522 -7.029 11.669 83 1HG1 VAL 12 1HG1 VAL 12 0.766 -6.092 13.896 84 2HG1 VAL 12 2HG1 VAL 12 -0.674 -6.954 14.436 85 3HG1 VAL 12 3HG1 VAL 12 -0.814 -5.675 13.232 86 1HG2 VAL 12 1HG2 VAL 12 0.217 -9.460 13.328 87 2HG2 VAL 12 2HG2 VAL 12 1.498 -8.331 13.772 88 3HG2 VAL 12 3HG2 VAL 12 1.465 -9.036 12.155 89 H SER 13 H SER 13 -3.198 -6.931 13.329 90 HA SER 13 HA SER 13 -4.088 -5.247 11.103 91 1HB SER 13 2HB SER 13 -5.523 -5.651 13.730 92 2HB SER 13 1HB SER 13 -6.190 -5.069 12.204 93 HG SER 13 HG SER 13 -6.761 -7.195 12.382 94 H GLY 14 H GLY 14 -4.400 -3.090 11.261 95 1HA GLY 14 2HA GLY 14 -3.857 -1.575 13.622 96 2HA GLY 14 1HA GLY 14 -2.515 -1.529 12.483 97 H ILE 15 H ILE 15 -3.446 0.862 12.844 98 HA ILE 15 HA ILE 15 -5.600 1.347 10.940 99 HB ILE 15 HB ILE 15 -4.317 3.061 13.038 100 1HG1 ILE 15 2HG1 ILE 15 -6.728 3.293 13.697 101 2HG1 ILE 15 1HG1 ILE 15 -7.132 2.164 12.405 102 1HG2 ILE 15 1HG2 ILE 15 -4.444 4.605 11.257 103 2HG2 ILE 15 2HG2 ILE 15 -5.901 4.876 12.213 104 3HG2 ILE 15 3HG2 ILE 15 -5.992 3.961 10.707 105 1HD1 ILE 15 1HD1 ILE 15 -6.243 0.371 13.506 106 2HD1 ILE 15 2HD1 ILE 15 -6.850 1.333 14.855 107 3HD1 ILE 15 3HD1 ILE 15 -5.132 1.359 14.455 108 H ILE 16 H ILE 16 -5.324 2.109 8.992 109 HA ILE 16 HA ILE 16 -2.616 2.765 8.109 110 HB ILE 16 HB ILE 16 -4.876 1.331 6.980 111 1HG1 ILE 16 2HG1 ILE 16 -1.960 1.621 6.256 112 2HG1 ILE 16 1HG1 ILE 16 -2.714 0.343 7.200 113 1HG2 ILE 16 1HG2 ILE 16 -4.495 2.129 4.616 114 2HG2 ILE 16 2HG2 ILE 16 -3.679 3.532 5.303 115 3HG2 ILE 16 3HG2 ILE 16 -5.379 3.241 5.660 116 1HD1 ILE 16 1HD1 ILE 16 -3.990 0.456 4.666 117 2HD1 ILE 16 2HD1 ILE 16 -3.027 -0.845 5.366 118 3HD1 ILE 16 3HD1 ILE 16 -2.243 0.423 4.424 119 H ALA 17 H ALA 17 -2.092 4.803 7.711 120 HA ALA 17 HA ALA 17 -4.240 6.726 7.091 121 1HB ALA 17 1HB ALA 17 -3.397 7.166 9.311 122 2HB ALA 17 2HB ALA 17 -2.874 8.448 8.220 123 3HB ALA 17 3HB ALA 17 -1.738 7.192 8.712 124 H ILE 18 H ILE 18 -3.865 8.206 5.469 125 HA ILE 18 HA ILE 18 -1.557 7.614 3.767 126 HB ILE 18 HB ILE 18 -4.338 8.431 3.268 127 1HG1 ILE 18 2HG1 ILE 18 -2.404 7.199 1.327 128 2HG1 ILE 18 1HG1 ILE 18 -3.076 6.260 2.656 129 1HG2 ILE 18 1HG2 ILE 18 -3.511 10.477 2.503 130 2HG2 ILE 18 2HG2 ILE 18 -3.663 9.489 1.050 131 3HG2 ILE 18 3HG2 ILE 18 -2.079 9.736 1.787 132 1HD1 ILE 18 1HD1 ILE 18 -4.339 5.908 0.624 133 2HD1 ILE 18 2HD1 ILE 18 -4.642 7.639 0.490 134 3HD1 ILE 18 3HD1 ILE 18 -5.330 6.726 1.831 135 H ASN 19 H ASN 19 0.131 8.900 4.104 136 HA ASN 19 HA ASN 19 -0.278 11.646 5.005 137 1HB ASN 19 2HB ASN 19 1.415 10.105 6.085 138 2HB ASN 19 1HB ASN 19 2.348 10.212 4.595 139 1HD2 ASN 19 1HD2 ASN 19 3.900 11.652 4.629 140 2HD2 ASN 19 2HD2 ASN 19 3.926 13.107 5.559 141 H GLU 20 H GLU 20 -0.643 13.080 3.459 142 HA GLU 20 HA GLU 20 0.838 12.834 0.929 143 1HB GLU 20 2HB GLU 20 -1.704 14.350 1.551 144 2HB GLU 20 1HB GLU 20 -0.899 14.333 -0.012 145 1HG GLU 20 2HG GLU 20 -1.248 11.901 -0.136 146 2HG GLU 20 1HG GLU 20 -2.119 11.970 1.395 147 H ASP 21 H ASP 21 0.849 14.503 3.814 148 HA ASP 21 HA ASP 21 1.360 17.141 3.081 149 1HB ASP 21 2HB ASP 21 2.360 15.530 5.431 150 2HB ASP 21 1HB ASP 21 2.597 17.266 5.270 151 H VAL 22 H VAL 22 3.287 14.329 2.692 152 HA VAL 22 HA VAL 22 5.689 15.912 2.280 153 HB VAL 22 HB VAL 22 5.554 13.652 3.595 154 1HG1 VAL 22 1HG1 VAL 22 5.590 11.690 2.479 155 2HG1 VAL 22 2HG1 VAL 22 6.400 12.382 1.074 156 3HG1 VAL 22 3HG1 VAL 22 4.669 12.628 1.304 157 1HG2 VAL 22 1HG2 VAL 22 7.756 13.890 3.668 158 2HG2 VAL 22 2HG2 VAL 22 7.590 15.113 2.409 159 3HG2 VAL 22 3HG2 VAL 22 7.922 13.437 1.971 160 H SER 23 H SER 23 6.932 14.194 0.419 161 HA SER 23 HA SER 23 5.317 13.846 -1.893 162 1HB SER 23 2HB SER 23 6.914 15.655 -3.112 163 2HB SER 23 1HB SER 23 5.305 16.034 -2.497 164 HG SER 23 HG SER 23 7.746 16.898 -1.640 165 HA PRO 24 HA PRO 24 5.216 12.496 -3.350 166 1HB PRO 24 2HB PRO 24 5.857 9.649 -3.161 167 2HB PRO 24 1HB PRO 24 5.404 10.598 -4.576 168 1HG PRO 24 2HG PRO 24 7.898 9.619 -4.228 169 2HG PRO 24 1HG PRO 24 7.581 11.147 -5.072 170 1HD PRO 24 2HD PRO 24 8.509 10.691 -2.258 171 2HD PRO 24 1HD PRO 24 9.058 11.895 -3.444 172 H ALA 25 H ALA 25 3.333 11.693 -2.364 173 HA ALA 25 HA ALA 25 3.207 11.736 0.410 174 1HB ALA 25 1HB ALA 25 1.274 10.318 -1.425 175 2HB ALA 25 2HB ALA 25 1.282 12.056 -1.122 176 3HB ALA 25 3HB ALA 25 0.945 10.932 0.195 177 H GLU 26 H GLU 26 2.255 9.824 1.736 178 HA GLU 26 HA GLU 26 3.432 7.258 0.979 179 1HB GLU 26 2HB GLU 26 4.072 8.671 3.573 180 2HB GLU 26 1HB GLU 26 4.522 7.018 3.184 181 1HG GLU 26 2HG GLU 26 5.861 7.854 1.295 182 2HG GLU 26 1HG GLU 26 5.454 9.504 1.766 183 H LEU 27 H LEU 27 2.755 5.482 2.381 184 HA LEU 27 HA LEU 27 0.115 5.982 3.590 185 1HB LEU 27 2HB LEU 27 -0.133 4.658 1.608 186 2HB LEU 27 1HB LEU 27 1.178 3.598 2.080 187 HG LEU 27 HG LEU 27 -1.201 2.702 2.295 188 1HD1 LEU 27 1HD1 LEU 27 0.118 2.491 4.939 189 2HD1 LEU 27 2HD1 LEU 27 1.043 2.000 3.521 190 3HD1 LEU 27 3HD1 LEU 27 -0.505 1.232 3.874 191 1HD2 LEU 27 1HD2 LEU 27 -1.573 5.029 3.760 192 2HD2 LEU 27 2HD2 LEU 27 -1.514 3.751 4.973 193 3HD2 LEU 27 3HD2 LEU 27 -2.676 3.659 3.649 194 H THR 28 H THR 28 0.407 6.035 5.753 195 HA THR 28 HA THR 28 2.412 4.420 7.022 196 HB THR 28 HB THR 28 0.584 5.954 8.692 197 HG1 THR 28 HG1 THR 28 1.123 7.949 7.887 198 1HG2 THR 28 1HG2 THR 28 2.602 6.954 9.524 199 2HG2 THR 28 2HG2 THR 28 3.519 6.249 8.194 200 3HG2 THR 28 3HG2 THR 28 2.802 5.205 9.421 201 H TRP 29 H TRP 29 2.035 2.872 8.579 202 HA TRP 29 HA TRP 29 -0.716 1.972 8.995 203 1HB TRP 29 2HB TRP 29 0.276 0.527 7.274 204 2HB TRP 29 1HB TRP 29 1.637 0.181 8.340 205 HD1 TRP 29 HD1 TRP 29 -2.189 0.037 8.910 206 HE1 TRP 29 HE1 TRP 29 -2.762 -2.265 9.937 207 HE3 TRP 29 HE3 TRP 29 2.501 -1.984 9.029 208 HZ2 TRP 29 HZ2 TRP 29 -1.396 -4.592 10.693 209 HZ3 TRP 29 HZ3 TRP 29 2.780 -4.263 9.926 210 HH2 TRP 29 HH2 TRP 29 0.858 -5.545 10.737 211 H ARG 30 H ARG 30 -1.027 2.254 11.117 212 HA ARG 30 HA ARG 30 1.195 1.655 12.948 213 1HB ARG 30 2HB ARG 30 0.115 3.894 13.125 214 2HB ARG 30 1HB ARG 30 -1.402 3.102 13.528 215 1HG ARG 30 2HG ARG 30 -0.320 2.126 15.522 216 2HG ARG 30 1HG ARG 30 1.144 3.032 15.134 217 1HD ARG 30 2HD ARG 30 -1.570 4.219 15.708 218 2HD ARG 30 1HD ARG 30 -0.210 4.172 16.829 219 HE ARG 30 HE ARG 30 0.668 5.430 14.508 220 1HH1 ARG 30 1HH1 ARG 30 -1.650 5.989 17.057 221 2HH1 ARG 30 2HH1 ARG 30 -1.549 7.714 16.940 222 1HH2 ARG 30 1HH2 ARG 30 0.801 7.698 14.353 223 2HH2 ARG 30 2HH2 ARG 30 -0.159 8.684 15.405 224 H SER 31 H SER 31 1.122 -0.131 14.212 225 HA SER 31 HA SER 31 -0.832 -2.095 13.826 226 1HB SER 31 2HB SER 31 0.233 -3.053 16.007 227 2HB SER 31 1HB SER 31 1.218 -2.935 14.549 228 HG SER 31 HG SER 31 1.142 -0.881 16.492 229 H THR 32 H THR 32 -2.214 -3.058 15.494 230 HA THR 32 HA THR 32 -4.049 -1.224 16.527 231 HB THR 32 HB THR 32 -3.543 -4.135 16.647 232 HG1 THR 32 HG1 THR 32 -5.427 -4.192 15.632 233 1HG2 THR 32 1HG2 THR 32 -4.012 -3.842 18.944 234 2HG2 THR 32 2HG2 THR 32 -5.449 -4.503 18.165 235 3HG2 THR 32 3HG2 THR 32 -5.383 -2.792 18.591 236 H ASP 33 H ASP 33 -1.260 -2.793 17.837 237 HA ASP 33 HA ASP 33 -1.748 -2.187 20.568 238 1HB ASP 33 2HB ASP 33 -0.235 -4.010 19.798 239 2HB ASP 33 1HB ASP 33 0.900 -2.783 19.243 240 H GLY 34 H GLY 34 -0.179 -0.537 17.949 241 1HA GLY 34 2HA GLY 34 0.255 1.741 17.775 242 2HA GLY 34 1HA GLY 34 -0.151 1.923 19.475 243 H ASP 35 H ASP 35 2.091 -0.515 18.512 244 HA ASP 35 HA ASP 35 4.277 1.090 19.642 245 1HB ASP 35 2HB ASP 35 3.635 -0.882 21.000 246 2HB ASP 35 1HB ASP 35 4.010 -1.921 19.629 247 H LYS 36 H LYS 36 3.174 -0.637 16.897 248 HA LYS 36 HA LYS 36 5.811 -0.292 15.635 249 1HB LYS 36 2HB LYS 36 4.114 -2.660 15.811 250 2HB LYS 36 1HB LYS 36 4.545 -2.261 14.153 251 1HG LYS 36 2HG LYS 36 6.919 -2.244 14.801 252 2HG LYS 36 1HG LYS 36 6.454 -2.724 16.435 253 1HD LYS 36 2HD LYS 36 5.401 -4.759 15.483 254 2HD LYS 36 1HD LYS 36 6.009 -4.289 13.894 255 1HE LYS 36 2HE LYS 36 7.761 -5.584 14.457 256 2HE LYS 36 1HE LYS 36 8.279 -4.154 15.349 257 1HZ LYS 36 1HZ LYS 36 6.807 -5.234 17.205 258 2HZ LYS 36 2HZ LYS 36 8.406 -5.730 16.970 259 3HZ LYS 36 3HZ LYS 36 7.134 -6.657 16.351 260 H VAL 37 H VAL 37 5.831 0.975 13.904 261 HA VAL 37 HA VAL 37 3.298 1.438 12.474 262 HB VAL 37 HB VAL 37 5.377 3.564 12.991 263 1HG1 VAL 37 1HG1 VAL 37 2.605 4.252 12.266 264 2HG1 VAL 37 2HG1 VAL 37 3.559 3.476 11.001 265 3HG1 VAL 37 3HG1 VAL 37 4.130 4.970 11.744 266 1HG2 VAL 37 1HG2 VAL 37 4.539 3.478 15.092 267 2HG2 VAL 37 2HG2 VAL 37 3.050 2.680 14.583 268 3HG2 VAL 37 3HG2 VAL 37 3.237 4.420 14.367 269 H HIS 38 H HIS 38 3.411 1.029 10.377 270 HA HIS 38 HA HIS 38 6.071 0.914 9.118 271 1HB HIS 38 2HB HIS 38 4.925 -1.223 9.082 272 2HB HIS 38 1HB HIS 38 3.517 -0.482 8.336 273 HD1 HIS 38 HD1 HIS 38 6.253 -2.498 7.448 274 HD2 HIS 38 HD2 HIS 38 4.449 0.817 5.712 275 HE1 HIS 38 HE1 HIS 38 6.930 -2.555 5.025 276 HE2 HIS 38 HE2 HIS 38 5.901 -0.489 4.017 277 H THR 39 H THR 39 6.462 1.923 7.235 278 HA THR 39 HA THR 39 4.369 3.752 6.251 279 HB THR 39 HB THR 39 7.346 4.274 6.192 280 HG1 THR 39 HG1 THR 39 6.447 4.224 8.341 281 1HG2 THR 39 1HG2 THR 39 6.031 5.518 4.527 282 2HG2 THR 39 2HG2 THR 39 6.760 6.562 5.748 283 3HG2 THR 39 3HG2 THR 39 5.042 6.173 5.832 284 H VAL 40 H VAL 40 3.952 3.760 4.110 285 HA VAL 40 HA VAL 40 5.707 2.142 2.377 286 HB VAL 40 HB VAL 40 2.729 2.434 2.016 287 1HG1 VAL 40 1HG1 VAL 40 4.907 1.068 0.575 288 2HG1 VAL 40 2HG1 VAL 40 3.388 1.733 -0.025 289 3HG1 VAL 40 3HG1 VAL 40 3.410 0.157 0.765 290 1HG2 VAL 40 1HG2 VAL 40 3.305 1.270 4.145 291 2HG2 VAL 40 2HG2 VAL 40 4.167 0.063 3.191 292 3HG2 VAL 40 3HG2 VAL 40 2.427 0.271 2.988 293 H VAL 41 H VAL 41 6.159 2.905 0.346 294 HA VAL 41 HA VAL 41 5.521 5.721 -0.112 295 HB VAL 41 HB VAL 41 7.423 3.970 -1.677 296 1HG1 VAL 41 1HG1 VAL 41 8.387 6.413 -2.004 297 2HG1 VAL 41 2HG1 VAL 41 6.703 6.850 -1.716 298 3HG1 VAL 41 3HG1 VAL 41 7.119 5.767 -3.045 299 1HG2 VAL 41 1HG2 VAL 41 7.997 4.161 0.755 300 2HG2 VAL 41 2HG2 VAL 41 8.132 5.905 0.522 301 3HG2 VAL 41 3HG2 VAL 41 9.213 4.813 -0.344 302 H LEU 42 H LEU 42 3.865 6.224 -1.359 303 HA LEU 42 HA LEU 42 2.575 4.279 -3.018 304 1HB LEU 42 2HB LEU 42 2.012 7.234 -2.910 305 2HB LEU 42 1HB LEU 42 0.926 5.958 -3.427 306 HG LEU 42 HG LEU 42 1.850 6.554 -0.620 307 1HD1 LEU 42 1HD1 LEU 42 -0.583 7.019 -2.192 308 2HD1 LEU 42 2HD1 LEU 42 0.035 7.862 -0.771 309 3HD1 LEU 42 3HD1 LEU 42 -0.853 6.350 -0.582 310 1HD2 LEU 42 1HD2 LEU 42 0.904 4.044 -1.801 311 2HD2 LEU 42 2HD2 LEU 42 0.004 4.562 -0.377 312 3HD2 LEU 42 3HD2 LEU 42 1.750 4.338 -0.281 313 H SER 43 H SER 43 5.168 6.378 -3.528 314 HA SER 43 HA SER 43 4.660 6.982 -6.286 315 1HB SER 43 2HB SER 43 6.207 8.203 -4.524 316 2HB SER 43 1HB SER 43 7.413 7.065 -5.120 317 HG SER 43 HG SER 43 6.767 9.318 -6.214 318 H THR 44 H THR 44 6.079 4.374 -4.515 319 HA THR 44 HA THR 44 7.308 3.287 -6.924 320 HB THR 44 HB THR 44 8.575 3.294 -4.772 321 HG1 THR 44 HG1 THR 44 8.010 0.705 -5.778 322 1HG2 THR 44 1HG2 THR 44 6.236 2.226 -3.688 323 2HG2 THR 44 2HG2 THR 44 7.790 2.456 -2.888 324 3HG2 THR 44 3HG2 THR 44 7.419 0.919 -3.669 325 H ILE 45 H ILE 45 4.361 3.447 -6.434 326 HA ILE 45 HA ILE 45 3.685 0.587 -6.403 327 HB ILE 45 HB ILE 45 1.779 2.921 -6.238 328 1HG1 ILE 45 2HG1 ILE 45 3.269 2.984 -4.315 329 2HG1 ILE 45 1HG1 ILE 45 1.679 2.419 -3.811 330 1HG2 ILE 45 1HG2 ILE 45 1.501 -0.048 -5.912 331 2HG2 ILE 45 2HG2 ILE 45 0.572 1.049 -6.935 332 3HG2 ILE 45 3HG2 ILE 45 0.347 1.070 -5.186 333 1HD1 ILE 45 1HD1 ILE 45 2.666 0.064 -4.102 334 2HD1 ILE 45 2HD1 ILE 45 3.140 1.015 -2.695 335 3HD1 ILE 45 3HD1 ILE 45 4.227 0.885 -4.077 336 H ASP 46 H ASP 46 3.990 -0.139 -8.434 337 HA ASP 46 HA ASP 46 3.551 1.276 -10.805 338 1HB ASP 46 2HB ASP 46 4.689 -1.079 -10.272 339 2HB ASP 46 1HB ASP 46 3.113 -1.670 -10.793 340 H LYS 47 H LYS 47 1.366 -0.440 -8.710 341 HA LYS 47 HA LYS 47 -0.928 0.716 -9.844 342 1HB LYS 47 2HB LYS 47 -1.347 -0.617 -11.590 343 2HB LYS 47 1HB LYS 47 0.030 -1.633 -11.195 344 1HG LYS 47 2HG LYS 47 -1.375 -2.938 -9.678 345 2HG LYS 47 1HG LYS 47 -2.759 -1.926 -10.097 346 1HD LYS 47 2HD LYS 47 -2.341 -2.601 -12.506 347 2HD LYS 47 1HD LYS 47 -1.230 -3.815 -11.872 348 1HE LYS 47 2HE LYS 47 -2.901 -5.088 -10.997 349 2HE LYS 47 1HE LYS 47 -3.939 -3.699 -10.680 350 1HZ LYS 47 1HZ LYS 47 -3.590 -5.223 -13.171 351 2HZ LYS 47 2HZ LYS 47 -4.077 -3.604 -13.248 352 3HZ LYS 47 3HZ LYS 47 -5.018 -4.731 -12.407 353 H LEU 48 H LEU 48 -2.958 -0.234 -8.925 354 HA LEU 48 HA LEU 48 -2.443 -1.653 -6.401 355 1HB LEU 48 2HB LEU 48 -3.929 -0.240 -5.207 356 2HB LEU 48 1HB LEU 48 -2.813 0.801 -6.070 357 HG LEU 48 HG LEU 48 -5.595 0.173 -7.050 358 1HD1 LEU 48 1HD1 LEU 48 -5.700 2.758 -6.299 359 2HD1 LEU 48 2HD1 LEU 48 -4.628 2.111 -5.058 360 3HD1 LEU 48 3HD1 LEU 48 -6.233 1.417 -5.286 361 1HD2 LEU 48 1HD2 LEU 48 -4.568 0.955 -8.917 362 2HD2 LEU 48 2HD2 LEU 48 -3.336 1.830 -8.006 363 3HD2 LEU 48 3HD2 LEU 48 -4.956 2.505 -8.170 364 H GLN 49 H GLN 49 -3.723 -3.361 -6.028 365 HA GLN 49 HA GLN 49 -6.112 -3.683 -7.725 366 1HB GLN 49 2HB GLN 49 -4.074 -5.710 -6.827 367 2HB GLN 49 1HB GLN 49 -5.667 -6.185 -7.399 368 1HG GLN 49 2HG GLN 49 -5.215 -5.072 -9.536 369 2HG GLN 49 1HG GLN 49 -3.605 -4.645 -8.959 370 1HE2 GLN 49 1HE2 GLN 49 -4.680 -6.409 -11.170 371 2HE2 GLN 49 2HE2 GLN 49 -3.827 -7.898 -10.973 372 H ALA 50 H ALA 50 -7.801 -5.088 -6.804 373 HA ALA 50 HA ALA 50 -7.805 -5.240 -3.882 374 1HB ALA 50 1HB ALA 50 -9.853 -4.095 -3.616 375 2HB ALA 50 2HB ALA 50 -10.143 -4.053 -5.356 376 3HB ALA 50 3HB ALA 50 -8.858 -3.072 -4.651 377 H THR 51 H THR 51 -9.392 -6.691 -3.019 378 HA THR 51 HA THR 51 -9.760 -9.012 -4.624 379 HB THR 51 HB THR 51 -11.185 -9.721 -2.579 380 HG1 THR 51 HG1 THR 51 -11.519 -7.605 -1.787 381 1HG2 THR 51 1HG2 THR 51 -8.979 -10.581 -2.780 382 2HG2 THR 51 2HG2 THR 51 -9.181 -9.989 -1.131 383 3HG2 THR 51 3HG2 THR 51 -8.273 -9.036 -2.305 384 HA PRO 52 HA PRO 52 -13.701 -8.162 -6.425 385 1HB PRO 52 2HB PRO 52 -14.643 -10.677 -6.777 386 2HB PRO 52 1HB PRO 52 -13.335 -10.003 -7.756 387 1HG PRO 52 2HG PRO 52 -13.183 -11.836 -5.394 388 2HG PRO 52 1HG PRO 52 -12.283 -11.902 -6.920 389 1HD PRO 52 2HD PRO 52 -11.224 -10.894 -4.636 390 2HD PRO 52 1HD PRO 52 -10.775 -10.296 -6.246 391 H ALA 53 H ALA 53 -16.002 -8.359 -6.079 392 HA ALA 53 HA ALA 53 -16.715 -8.252 -3.331 393 1HB ALA 53 1HB ALA 53 -17.775 -7.201 -5.575 394 2HB ALA 53 2HB ALA 53 -18.640 -7.326 -4.044 395 3HB ALA 53 3HB ALA 53 -18.887 -8.542 -5.297 396 H SER 54 H SER 54 -16.352 -10.865 -5.444 397 HA SER 54 HA SER 54 -18.372 -12.520 -4.170 398 1HB SER 54 2HB SER 54 -16.371 -13.086 -6.363 399 2HB SER 54 1HB SER 54 -17.506 -14.282 -5.738 400 HG SER 54 HG SER 54 -18.812 -13.469 -7.165 401 H SER 55 H SER 55 -15.376 -11.527 -3.296 402 HA SER 55 HA SER 55 -14.601 -14.094 -2.115 403 1HB SER 55 2HB SER 55 -12.406 -13.374 -2.115 404 2HB SER 55 1HB SER 55 -13.022 -12.515 -3.527 405 HG SER 55 HG SER 55 -13.303 -10.682 -2.200 406 H GLU 56 H GLU 56 -15.331 -14.410 -0.133 407 HA GLU 56 HA GLU 56 -16.416 -12.461 1.534 408 1HB GLU 56 2HB GLU 56 -16.811 -14.907 1.747 409 2HB GLU 56 1HB GLU 56 -15.179 -15.087 2.375 410 1HG GLU 56 2HG GLU 56 -15.776 -13.601 4.254 411 2HG GLU 56 1HG GLU 56 -17.429 -13.543 3.643 412 H LYS 57 H LYS 57 -13.153 -13.231 0.878 413 HA LYS 57 HA LYS 57 -12.189 -11.944 3.323 414 1HB LYS 57 2HB LYS 57 -10.723 -13.367 1.096 415 2HB LYS 57 1HB LYS 57 -9.937 -12.627 2.484 416 1HG LYS 57 2HG LYS 57 -11.217 -14.140 3.963 417 2HG LYS 57 1HG LYS 57 -11.874 -14.930 2.528 418 1HD LYS 57 2HD LYS 57 -9.561 -15.465 1.818 419 2HD LYS 57 1HD LYS 57 -8.969 -14.769 3.328 420 1HE LYS 57 2HE LYS 57 -11.063 -16.884 3.448 421 2HE LYS 57 1HE LYS 57 -9.403 -17.358 3.089 422 1HZ LYS 57 1HZ LYS 57 -8.668 -16.654 5.144 423 2HZ LYS 57 2HZ LYS 57 -10.189 -17.288 5.524 424 3HZ LYS 57 3HZ LYS 57 -9.980 -15.616 5.394 425 H MET 58 H MET 58 -11.893 -9.824 3.327 426 HA MET 58 HA MET 58 -11.610 -8.390 0.806 427 1HB MET 58 2HB MET 58 -11.702 -7.128 3.534 428 2HB MET 58 1HB MET 58 -12.167 -6.432 1.989 429 1HG MET 58 2HG MET 58 -13.627 -8.534 3.563 430 2HG MET 58 1HG MET 58 -14.144 -6.883 3.236 431 1HE MET 58 1HE MET 58 -14.297 -5.965 0.903 432 2HE MET 58 2HE MET 58 -15.106 -6.826 -0.407 433 3HE MET 58 3HE MET 58 -13.351 -6.914 -0.243 434 H MET 59 H MET 59 -9.680 -7.904 0.013 435 HA MET 59 HA MET 59 -7.534 -7.064 1.783 436 1HB MET 59 2HB MET 59 -7.142 -9.367 -0.136 437 2HB MET 59 1HB MET 59 -5.919 -8.660 0.908 438 1HG MET 59 2HG MET 59 -7.301 -9.361 2.866 439 2HG MET 59 1HG MET 59 -8.343 -10.229 1.740 440 1HE MET 59 1HE MET 59 -4.258 -11.207 3.316 441 2HE MET 59 2HE MET 59 -5.004 -9.617 3.150 442 3HE MET 59 3HE MET 59 -4.070 -10.297 1.817 443 H LEU 60 H LEU 60 -5.986 -5.778 0.777 444 HA LEU 60 HA LEU 60 -6.574 -5.080 -2.028 445 1HB LEU 60 2HB LEU 60 -5.948 -3.437 0.361 446 2HB LEU 60 1HB LEU 60 -5.258 -2.909 -1.160 447 HG LEU 60 HG LEU 60 -7.439 -1.833 -0.554 448 1HD1 LEU 60 1HD1 LEU 60 -7.466 -3.435 -3.106 449 2HD1 LEU 60 2HD1 LEU 60 -6.576 -1.932 -2.863 450 3HD1 LEU 60 3HD1 LEU 60 -8.338 -1.936 -2.789 451 1HD2 LEU 60 1HD2 LEU 60 -9.486 -3.136 -0.919 452 2HD2 LEU 60 2HD2 LEU 60 -8.543 -3.755 0.437 453 3HD2 LEU 60 3HD2 LEU 60 -8.514 -4.595 -1.113 454 H ARG 61 H ARG 61 -4.958 -5.184 -3.480 455 HA ARG 61 HA ARG 61 -2.324 -6.024 -2.495 456 1HB ARG 61 2HB ARG 61 -3.824 -6.477 -5.044 457 2HB ARG 61 1HB ARG 61 -2.068 -6.576 -5.047 458 1HG ARG 61 2HG ARG 61 -2.302 -8.238 -3.149 459 2HG ARG 61 1HG ARG 61 -4.026 -8.274 -3.532 460 1HD ARG 61 2HD ARG 61 -3.473 -8.926 -5.841 461 2HD ARG 61 1HD ARG 61 -1.762 -8.942 -5.413 462 HE ARG 61 HE ARG 61 -2.069 -10.976 -4.411 463 1HH1 ARG 61 1HH1 ARG 61 -5.186 -9.498 -4.936 464 2HH1 ARG 61 2HH1 ARG 61 -6.074 -10.912 -4.475 465 1HH2 ARG 61 1HH2 ARG 61 -3.234 -12.837 -3.806 466 2HH2 ARG 61 2HH2 ARG 61 -4.966 -12.808 -3.833 467 H LEU 62 H LEU 62 -0.437 -5.049 -3.171 468 HA LEU 62 HA LEU 62 -0.729 -2.531 -4.672 469 1HB LEU 62 2HB LEU 62 -0.174 -2.654 -2.002 470 2HB LEU 62 1HB LEU 62 1.440 -2.633 -2.685 471 HG LEU 62 HG LEU 62 0.783 -0.560 -3.952 472 1HD1 LEU 62 1HD1 LEU 62 -1.237 0.411 -3.752 473 2HD1 LEU 62 2HD1 LEU 62 -1.405 -0.040 -2.055 474 3HD1 LEU 62 3HD1 LEU 62 -1.756 -1.219 -3.321 475 1HD2 LEU 62 1HD2 LEU 62 2.100 -0.536 -1.858 476 2HD2 LEU 62 2HD2 LEU 62 0.598 -0.360 -0.951 477 3HD2 LEU 62 3HD2 LEU 62 1.107 0.905 -2.068 478 H ILE 63 H ILE 63 0.370 -2.642 -6.506 479 HA ILE 63 HA ILE 63 2.529 -4.565 -6.810 480 HB ILE 63 HB ILE 63 1.515 -2.666 -8.917 481 1HG1 ILE 63 2HG1 ILE 63 -0.378 -3.947 -7.959 482 2HG1 ILE 63 1HG1 ILE 63 -0.046 -4.390 -9.630 483 1HG2 ILE 63 1HG2 ILE 63 3.690 -4.050 -9.121 484 2HG2 ILE 63 2HG2 ILE 63 2.548 -4.049 -10.465 485 3HG2 ILE 63 3HG2 ILE 63 2.604 -5.418 -9.356 486 1HD1 ILE 63 1HD1 ILE 63 0.405 -6.500 -9.092 487 2HD1 ILE 63 2HD1 ILE 63 -0.390 -6.131 -7.562 488 3HD1 ILE 63 3HD1 ILE 63 1.366 -6.038 -7.687 489 H GLY 64 H GLY 64 4.620 -4.069 -6.659 490 1HA GLY 64 2HA GLY 64 5.440 -1.358 -6.160 491 2HA GLY 64 1HA GLY 64 6.485 -2.770 -6.219 492 H LYS 65 H LYS 65 7.038 -0.185 -7.347 493 HA LYS 65 HA LYS 65 6.542 0.038 -10.066 494 1HB LYS 65 2HB LYS 65 8.454 1.157 -8.163 495 2HB LYS 65 1HB LYS 65 9.103 1.037 -9.794 496 1HG LYS 65 2HG LYS 65 7.148 2.271 -10.636 497 2HG LYS 65 1HG LYS 65 6.571 2.442 -8.977 498 1HD LYS 65 2HD LYS 65 8.602 3.672 -8.395 499 2HD LYS 65 1HD LYS 65 9.192 3.489 -10.048 500 1HE LYS 65 2HE LYS 65 6.507 4.627 -9.885 501 2HE LYS 65 1HE LYS 65 7.736 5.609 -9.087 502 1HZ LYS 65 1HZ LYS 65 7.209 5.768 -11.676 503 2HZ LYS 65 2HZ LYS 65 8.417 4.586 -11.723 504 3HZ LYS 65 3HZ LYS 65 8.737 6.096 -11.031 505 H VAL 66 H VAL 66 7.739 -0.496 -11.921 506 HA VAL 66 HA VAL 66 9.727 -2.639 -11.593 507 HB VAL 66 HB VAL 66 7.538 -2.689 -13.671 508 1HG1 VAL 66 1HG1 VAL 66 8.407 -4.683 -14.417 509 2HG1 VAL 66 2HG1 VAL 66 9.200 -5.036 -12.883 510 3HG1 VAL 66 3HG1 VAL 66 9.881 -3.826 -13.969 511 1HG2 VAL 66 1HG2 VAL 66 6.267 -3.236 -11.875 512 2HG2 VAL 66 2HG2 VAL 66 7.651 -3.756 -10.913 513 3HG2 VAL 66 3HG2 VAL 66 6.990 -4.820 -12.154 514 H ASP 67 H ASP 67 8.250 -0.305 -13.825 515 HA ASP 67 HA ASP 67 10.291 -0.438 -15.779 516 1HB ASP 67 2HB ASP 67 8.018 0.458 -16.208 517 2HB ASP 67 1HB ASP 67 8.399 1.850 -15.199 518 H GLU 68 H GLU 68 12.322 0.202 -15.597 519 HA GLU 68 HA GLU 68 12.935 2.462 -13.806 520 1HB GLU 68 2HB GLU 68 14.651 0.066 -14.480 521 2HB GLU 68 1HB GLU 68 15.176 1.436 -13.512 522 1HG GLU 68 2HG GLU 68 13.411 0.921 -11.875 523 2HG GLU 68 1HG GLU 68 12.966 -0.492 -12.832 524 H SER 69 H SER 69 12.181 2.853 -16.475 525 HA SER 69 HA SER 69 14.258 2.987 -18.324 526 1HB SER 69 2HB SER 69 11.904 4.872 -18.080 527 2HB SER 69 1HB SER 69 12.883 4.613 -19.524 528 HG SER 69 HG SER 69 10.744 3.370 -19.042 529 H LYS 70 H LYS 70 13.594 4.956 -15.578 530 HA LYS 70 HA LYS 70 14.892 7.327 -16.292 531 1HB LYS 70 2HB LYS 70 15.060 7.770 -13.905 532 2HB LYS 70 1HB LYS 70 13.487 7.084 -14.283 533 1HG LYS 70 2HG LYS 70 14.319 4.877 -13.530 534 2HG LYS 70 1HG LYS 70 15.827 5.654 -13.045 535 1HD LYS 70 2HD LYS 70 14.426 7.186 -11.603 536 2HD LYS 70 1HD LYS 70 13.065 6.113 -11.937 537 1HE LYS 70 2HE LYS 70 15.675 5.308 -10.655 538 2HE LYS 70 1HE LYS 70 14.152 5.572 -9.808 539 1HZ LYS 70 1HZ LYS 70 14.375 3.256 -10.145 540 2HZ LYS 70 2HZ LYS 70 14.775 3.445 -11.777 541 3HZ LYS 70 3HZ LYS 70 13.204 3.781 -11.249 542 H LYS 71 H LYS 71 16.149 4.327 -14.913 543 HA LYS 71 HA LYS 71 18.855 5.396 -14.860 544 1HB LYS 71 2HB LYS 71 17.456 3.099 -13.680 545 2HB LYS 71 1HB LYS 71 19.081 2.731 -14.241 546 1HG LYS 71 2HG LYS 71 19.305 3.345 -11.987 547 2HG LYS 71 1HG LYS 71 19.851 4.743 -12.915 548 1HD LYS 71 2HD LYS 71 17.752 5.865 -12.561 549 2HD LYS 71 1HD LYS 71 17.072 4.433 -11.785 550 1HE LYS 71 2HE LYS 71 18.479 4.665 -9.902 551 2HE LYS 71 1HE LYS 71 19.505 5.841 -10.721 552 1HZ LYS 71 1HZ LYS 71 18.263 7.281 -9.544 553 2HZ LYS 71 2HZ LYS 71 16.955 6.220 -9.382 554 3HZ LYS 71 3HZ LYS 71 17.165 7.090 -10.818 555 H ARG 72 H ARG 72 20.412 4.960 -16.309 556 HA ARG 72 HA ARG 72 19.688 3.807 -18.817 557 1HB ARG 72 2HB ARG 72 22.385 4.668 -17.754 558 2HB ARG 72 1HB ARG 72 22.057 4.225 -19.423 559 1HG ARG 72 2HG ARG 72 20.444 6.086 -19.568 560 2HG ARG 72 1HG ARG 72 20.882 6.556 -17.924 561 1HD ARG 72 2HD ARG 72 22.155 7.939 -19.350 562 2HD ARG 72 1HD ARG 72 23.269 6.713 -18.746 563 HE ARG 72 HE ARG 72 23.503 5.914 -20.882 564 1HH1 ARG 72 1HH1 ARG 72 20.745 8.052 -20.759 565 2HH1 ARG 72 2HH1 ARG 72 20.528 8.071 -22.477 566 1HH2 ARG 72 1HH2 ARG 72 23.217 5.939 -23.141 567 2HH2 ARG 72 2HH2 ARG 72 21.930 6.871 -23.830 568 H LYS 73 H LYS 73 19.942 1.788 -19.538 569 HA LYS 73 HA LYS 73 20.976 -0.215 -17.713 570 1HB LYS 73 2HB LYS 73 20.066 -1.838 -19.275 571 2HB LYS 73 1HB LYS 73 18.865 -0.602 -18.928 572 1HG LYS 73 2HG LYS 73 19.473 0.515 -21.055 573 2HG LYS 73 1HG LYS 73 20.557 -0.832 -21.407 574 1HD LYS 73 2HD LYS 73 18.557 -2.351 -21.155 575 2HD LYS 73 1HD LYS 73 17.559 -0.897 -21.116 576 1HE LYS 73 2HE LYS 73 19.481 -1.051 -23.339 577 2HE LYS 73 1HE LYS 73 18.194 -2.254 -23.371 578 1HZ LYS 73 1HZ LYS 73 17.384 0.483 -22.817 579 2HZ LYS 73 2HZ LYS 73 16.627 -0.700 -23.757 580 3HZ LYS 73 3HZ LYS 73 17.930 0.173 -24.389 581 H ASP 74 H ASP 74 22.673 -1.622 -18.135 582 HA ASP 74 HA ASP 74 24.841 -0.524 -19.608 583 1HB ASP 74 2HB ASP 74 24.488 -3.212 -18.273 584 2HB ASP 74 1HB ASP 74 25.999 -2.665 -18.993 585 H ASN 75 H ASN 75 22.338 -2.770 -20.348 586 HA ASN 75 HA ASN 75 21.685 -3.662 -22.348 587 1HB ASN 75 2HB ASN 75 22.841 -1.583 -23.312 588 2HB ASN 75 1HB ASN 75 24.211 -2.642 -23.628 589 1HD2 ASN 75 1HD2 ASN 75 20.726 -2.371 -24.173 590 2HD2 ASN 75 2HD2 ASN 75 20.736 -3.111 -25.734 591 H GLU 76 H GLU 76 24.296 -4.525 -20.571 592 HA GLU 76 HA GLU 76 25.016 -6.784 -22.296 593 1HB GLU 76 2HB GLU 76 26.386 -5.654 -19.851 594 2HB GLU 76 1HB GLU 76 26.924 -7.088 -20.716 595 1HG GLU 76 2HG GLU 76 26.737 -4.309 -21.858 596 2HG GLU 76 1HG GLU 76 28.215 -5.115 -21.335 597 H GLY 77 H GLY 77 22.507 -6.799 -21.018 598 1HA GLY 77 2HA GLY 77 21.169 -8.212 -19.803 599 2HA GLY 77 1HA GLY 77 22.501 -9.355 -19.866 600 H ASN 78 H ASN 78 22.965 -6.230 -18.421 601 HA ASN 78 HA ASN 78 23.893 -7.275 -15.994 602 1HB ASN 78 2HB ASN 78 23.075 -4.547 -16.917 603 2HB ASN 78 1HB ASN 78 23.400 -4.817 -15.208 604 1HD2 ASN 78 1HD2 ASN 78 24.822 -5.496 -18.386 605 2HD2 ASN 78 2HD2 ASN 78 26.452 -5.176 -17.914 606 H GLU 79 H GLU 79 20.704 -6.203 -16.994 607 HA GLU 79 HA GLU 79 19.568 -7.470 -14.632 608 1HB GLU 79 2HB GLU 79 18.050 -5.465 -14.301 609 2HB GLU 79 1HB GLU 79 19.721 -5.262 -13.796 610 1HG GLU 79 2HG GLU 79 19.652 -3.366 -14.956 611 2HG GLU 79 1HG GLU 79 19.800 -4.393 -16.382 612 H VAL 80 H VAL 80 18.630 -9.023 -15.915 613 HA VAL 80 HA VAL 80 17.204 -8.466 -18.302 614 HB VAL 80 HB VAL 80 16.332 -10.772 -18.093 615 1HG1 VAL 80 1HG1 VAL 80 18.760 -10.049 -18.824 616 2HG1 VAL 80 2HG1 VAL 80 18.307 -11.749 -18.704 617 3HG1 VAL 80 3HG1 VAL 80 19.216 -10.985 -17.400 618 1HG2 VAL 80 1HG2 VAL 80 17.839 -10.804 -15.480 619 2HG2 VAL 80 2HG2 VAL 80 17.049 -12.185 -16.240 620 3HG2 VAL 80 3HG2 VAL 80 16.085 -10.828 -15.658 621 H VAL 81 H VAL 81 16.254 -8.805 -14.928 622 HA VAL 81 HA VAL 81 13.742 -7.477 -15.504 623 HB VAL 81 HB VAL 81 13.704 -10.152 -14.106 624 1HG1 VAL 81 1HG1 VAL 81 11.365 -9.936 -14.030 625 2HG1 VAL 81 2HG1 VAL 81 11.369 -8.586 -15.164 626 3HG1 VAL 81 3HG1 VAL 81 11.988 -8.365 -13.527 627 1HG2 VAL 81 1HG2 VAL 81 12.521 -10.969 -16.126 628 2HG2 VAL 81 2HG2 VAL 81 14.204 -10.533 -16.432 629 3HG2 VAL 81 3HG2 VAL 81 12.906 -9.445 -16.927 630 HA PRO 82 HA PRO 82 14.821 -5.768 -11.542 631 1HB PRO 82 2HB PRO 82 12.547 -4.389 -11.053 632 2HB PRO 82 1HB PRO 82 13.735 -3.865 -12.252 633 1HG PRO 82 2HG PRO 82 11.161 -5.341 -12.656 634 2HG PRO 82 1HG PRO 82 11.834 -3.988 -13.586 635 1HD PRO 82 2HD PRO 82 12.003 -6.570 -14.410 636 2HD PRO 82 1HD PRO 82 13.238 -5.354 -14.794 637 H LYS 83 H LYS 83 13.312 -5.318 -9.409 638 HA LYS 83 HA LYS 83 12.043 -7.898 -8.768 639 1HB LYS 83 2HB LYS 83 13.718 -6.217 -6.895 640 2HB LYS 83 1HB LYS 83 12.976 -7.767 -6.525 641 1HG LYS 83 2HG LYS 83 14.937 -7.520 -8.769 642 2HG LYS 83 1HG LYS 83 15.487 -7.677 -7.099 643 1HD LYS 83 2HD LYS 83 13.413 -9.595 -7.917 644 2HD LYS 83 1HD LYS 83 14.963 -9.769 -8.744 645 1HE LYS 83 2HE LYS 83 15.059 -11.156 -6.824 646 2HE LYS 83 1HE LYS 83 16.051 -9.741 -6.475 647 1HZ LYS 83 1HZ LYS 83 14.145 -8.802 -5.260 648 2HZ LYS 83 2HZ LYS 83 14.689 -10.255 -4.586 649 3HZ LYS 83 3HZ LYS 83 13.281 -10.234 -5.523 650 HA PRO 84 HA PRO 84 8.974 -4.414 -8.197 651 1HB PRO 84 2HB PRO 84 7.223 -6.762 -8.724 652 2HB PRO 84 1HB PRO 84 7.127 -5.119 -9.367 653 1HG PRO 84 2HG PRO 84 8.014 -7.121 -10.882 654 2HG PRO 84 1HG PRO 84 8.753 -5.511 -10.974 655 1HD PRO 84 2HD PRO 84 9.760 -7.987 -9.641 656 2HD PRO 84 1HD PRO 84 10.659 -6.730 -10.515 657 H GLN 85 H GLN 85 8.341 -3.928 -6.199 658 HA GLN 85 HA GLN 85 8.200 -6.026 -4.185 659 1HB GLN 85 2HB GLN 85 8.077 -3.014 -3.971 660 2HB GLN 85 1HB GLN 85 7.977 -4.105 -2.596 661 1HG GLN 85 2HG GLN 85 10.205 -4.940 -3.069 662 2HG GLN 85 1HG GLN 85 10.308 -3.901 -4.489 663 1HE2 GLN 85 1HE2 GLN 85 12.197 -3.801 -2.494 664 2HE2 GLN 85 2HE2 GLN 85 12.076 -2.290 -1.664 665 H ARG 86 H ARG 86 6.338 -6.999 -3.760 666 HA ARG 86 HA ARG 86 3.836 -5.574 -4.338 667 1HB ARG 86 2HB ARG 86 4.427 -8.521 -4.044 668 2HB ARG 86 1HB ARG 86 2.808 -7.863 -4.231 669 1HG ARG 86 2HG ARG 86 3.203 -8.311 -6.401 670 2HG ARG 86 1HG ARG 86 3.980 -6.728 -6.350 671 1HD ARG 86 2HD ARG 86 5.744 -7.822 -7.210 672 2HD ARG 86 1HD ARG 86 6.013 -8.328 -5.543 673 HE ARG 86 HE ARG 86 4.349 -10.230 -6.497 674 1HH1 ARG 86 1HH1 ARG 86 7.361 -8.906 -7.660 675 2HH1 ARG 86 2HH1 ARG 86 7.851 -10.374 -8.436 676 1HH2 ARG 86 1HH2 ARG 86 4.992 -12.162 -7.517 677 2HH2 ARG 86 2HH2 ARG 86 6.506 -12.223 -8.357 678 H HIS 87 H HIS 87 2.382 -5.134 -2.787 679 HA HIS 87 HA HIS 87 2.908 -6.162 -0.077 680 1HB HIS 87 2HB HIS 87 2.180 -3.377 -0.964 681 2HB HIS 87 1HB HIS 87 1.891 -3.926 0.683 682 HD1 HIS 87 HD1 HIS 87 3.767 -3.575 2.262 683 HD2 HIS 87 HD2 HIS 87 5.052 -3.620 -1.690 684 HE1 HIS 87 HE1 HIS 87 6.218 -3.020 2.348 685 HE2 HIS 87 HE2 HIS 87 6.956 -2.972 -0.061 686 H MET 88 H MET 88 1.307 -7.433 0.570 687 HA MET 88 HA MET 88 -1.375 -7.017 -0.549 688 1HB MET 88 2HB MET 88 -0.210 -9.416 0.875 689 2HB MET 88 1HB MET 88 -1.836 -9.318 0.215 690 1HG MET 88 2HG MET 88 -0.823 -8.948 -2.031 691 2HG MET 88 1HG MET 88 0.754 -9.261 -1.310 692 1HE MET 88 1HE MET 88 1.027 -11.119 0.302 693 2HE MET 88 2HE MET 88 1.034 -12.707 -0.468 694 3HE MET 88 3HE MET 88 -0.260 -12.274 0.651 695 H PHE 89 H PHE 89 -2.793 -5.974 0.664 696 HA PHE 89 HA PHE 89 -2.465 -5.997 3.584 697 1HB PHE 89 2HB PHE 89 -3.763 -4.054 1.687 698 2HB PHE 89 1HB PHE 89 -4.125 -4.029 3.411 699 HD1 PHE 89 HD1 PHE 89 -1.707 -3.230 0.839 700 HD2 PHE 89 HD2 PHE 89 -2.356 -3.498 5.035 701 HE1 PHE 89 HE1 PHE 89 0.293 -1.854 1.232 702 HE2 PHE 89 HE2 PHE 89 -0.358 -2.118 5.437 703 HZ PHE 89 HZ PHE 89 0.970 -1.295 3.533 704 H SER 90 H SER 90 -4.247 -6.361 4.942 705 HA SER 90 HA SER 90 -6.512 -7.728 3.638 706 1HB SER 90 2HB SER 90 -4.704 -8.781 5.492 707 2HB SER 90 1HB SER 90 -6.155 -8.440 6.434 708 HG SER 90 HG SER 90 -6.267 -10.511 5.527 709 H PHE 91 H PHE 91 -8.468 -6.871 3.964 710 HA PHE 91 HA PHE 91 -8.724 -4.820 6.046 711 1HB PHE 91 2HB PHE 91 -9.987 -5.181 3.355 712 2HB PHE 91 1HB PHE 91 -10.802 -4.220 4.587 713 HD1 PHE 91 HD1 PHE 91 -10.134 -2.041 5.061 714 HD2 PHE 91 HD2 PHE 91 -7.683 -4.535 2.643 715 HE1 PHE 91 HE1 PHE 91 -8.727 -0.096 4.484 716 HE2 PHE 91 HE2 PHE 91 -6.273 -2.612 2.061 717 HZ PHE 91 HZ PHE 91 -6.793 -0.382 2.982 718 H ASN 92 H ASN 92 -10.328 -4.854 7.504 719 HA ASN 92 HA ASN 92 -11.919 -7.312 7.647 720 1HB ASN 92 2HB ASN 92 -11.247 -5.265 9.773 721 2HB ASN 92 1HB ASN 92 -12.268 -6.676 10.031 722 1HD2 ASN 92 1HD2 ASN 92 -9.989 -6.202 11.516 723 2HD2 ASN 92 2HD2 ASN 92 -8.813 -7.412 11.148 724 H ASN 93 H ASN 93 -12.301 -4.489 6.235 725 HA ASN 93 HA ASN 93 -15.154 -4.490 6.628 726 1HB ASN 93 2HB ASN 93 -13.823 -2.830 8.277 727 2HB ASN 93 1HB ASN 93 -13.998 -1.779 6.874 728 1HD2 ASN 93 1HD2 ASN 93 -15.713 -0.542 6.943 729 2HD2 ASN 93 2HD2 ASN 93 -17.224 -0.923 7.691 730 H ARG 94 H ARG 94 -16.121 -4.231 4.742 731 HA ARG 94 HA ARG 94 -14.690 -3.741 2.367 732 1HB ARG 94 2HB ARG 94 -17.673 -3.578 2.852 733 2HB ARG 94 1HB ARG 94 -16.896 -3.686 1.279 734 1HG ARG 94 2HG ARG 94 -15.945 -5.885 1.991 735 2HG ARG 94 1HG ARG 94 -16.950 -5.778 3.438 736 1HD ARG 94 2HD ARG 94 -18.934 -5.532 1.920 737 2HD ARG 94 1HD ARG 94 -17.864 -5.901 0.570 738 HE ARG 94 HE ARG 94 -17.489 -7.961 2.321 739 1HH1 ARG 94 1HH1 ARG 94 -20.260 -6.573 0.714 740 2HH1 ARG 94 2HH1 ARG 94 -21.132 -8.067 0.657 741 1HH2 ARG 94 1HH2 ARG 94 -18.636 -9.929 2.244 742 2HH2 ARG 94 2HH2 ARG 94 -20.210 -9.972 1.526 743 H THR 95 H THR 95 -16.762 -1.672 4.366 744 HA THR 95 HA THR 95 -16.785 0.548 2.679 745 HB THR 95 HB THR 95 -16.862 0.966 5.597 746 HG1 THR 95 HG1 THR 95 -18.801 -0.151 5.814 747 1HG2 THR 95 1HG2 THR 95 -18.886 2.142 5.129 748 2HG2 THR 95 2HG2 THR 95 -18.909 1.515 3.481 749 3HG2 THR 95 3HG2 THR 95 -17.654 2.651 3.974 750 H VAL 96 H VAL 96 -14.637 -0.439 5.263 751 HA VAL 96 HA VAL 96 -13.074 1.922 5.262 752 HB VAL 96 HB VAL 96 -12.362 -0.839 6.255 753 1HG1 VAL 96 1HG1 VAL 96 -10.907 1.752 6.312 754 2HG1 VAL 96 2HG1 VAL 96 -10.286 0.108 6.164 755 3HG1 VAL 96 3HG1 VAL 96 -10.812 0.714 7.735 756 1HG2 VAL 96 1HG2 VAL 96 -12.891 1.292 8.191 757 2HG2 VAL 96 2HG2 VAL 96 -13.434 -0.385 8.172 758 3HG2 VAL 96 3HG2 VAL 96 -14.291 0.830 7.224 759 H MET 97 H MET 97 -12.866 -1.153 3.619 760 HA MET 97 HA MET 97 -10.306 -0.644 2.459 761 1HB MET 97 2HB MET 97 -10.451 -2.729 1.549 762 2HB MET 97 1HB MET 97 -11.670 -2.905 2.799 763 1HG MET 97 2HG MET 97 -13.431 -2.688 1.255 764 2HG MET 97 1HG MET 97 -12.361 -2.083 -0.006 765 1HE MET 97 1HE MET 97 -12.429 -4.117 -2.136 766 2HE MET 97 2HE MET 97 -13.881 -3.608 -1.270 767 3HE MET 97 3HE MET 97 -13.569 -5.324 -1.539 768 H ASP 98 H ASP 98 -13.634 -0.101 1.494 769 HA ASP 98 HA ASP 98 -13.025 0.644 -1.180 770 1HB ASP 98 2HB ASP 98 -15.463 1.171 0.524 771 2HB ASP 98 1HB ASP 98 -15.355 1.550 -1.193 772 H ASN 99 H ASN 99 -13.198 2.299 1.863 773 HA ASN 99 HA ASN 99 -13.242 4.935 0.812 774 1HB ASN 99 2HB ASN 99 -12.466 3.866 3.526 775 2HB ASN 99 1HB ASN 99 -12.528 5.583 3.141 776 1HD2 ASN 99 1HD2 ASN 99 -14.044 4.478 5.158 777 2HD2 ASN 99 2HD2 ASN 99 -15.712 4.550 4.721 778 H ILE 100 H ILE 100 -10.759 2.674 1.690 779 HA ILE 100 HA ILE 100 -8.615 4.587 1.300 780 HB ILE 100 HB ILE 100 -8.490 1.611 1.808 781 1HG1 ILE 100 2HG1 ILE 100 -9.521 2.969 3.639 782 2HG1 ILE 100 1HG1 ILE 100 -8.029 2.161 4.108 783 1HG2 ILE 100 1HG2 ILE 100 -6.144 2.017 2.391 784 2HG2 ILE 100 2HG2 ILE 100 -6.323 3.704 1.906 785 3HG2 ILE 100 3HG2 ILE 100 -6.486 2.419 0.708 786 1HD1 ILE 100 1HD1 ILE 100 -7.940 4.977 3.140 787 2HD1 ILE 100 2HD1 ILE 100 -6.847 4.128 4.232 788 3HD1 ILE 100 3HD1 ILE 100 -8.444 4.624 4.792 789 H LYS 101 H LYS 101 -9.898 1.699 -0.300 790 HA LYS 101 HA LYS 101 -8.030 1.436 -2.331 791 1HB LYS 101 2HB LYS 101 -9.771 -0.227 -1.878 792 2HB LYS 101 1HB LYS 101 -11.002 0.892 -2.450 793 1HG LYS 101 2HG LYS 101 -10.207 0.766 -4.680 794 2HG LYS 101 1HG LYS 101 -8.748 -0.091 -4.179 795 1HD LYS 101 2HD LYS 101 -10.227 -1.703 -5.122 796 2HD LYS 101 1HD LYS 101 -10.231 -1.948 -3.375 797 1HE LYS 101 2HE LYS 101 -12.270 -0.128 -4.537 798 2HE LYS 101 1HE LYS 101 -12.469 -1.861 -4.789 799 1HZ LYS 101 1HZ LYS 101 -11.871 -0.972 -2.076 800 2HZ LYS 101 2HZ LYS 101 -12.874 -2.225 -2.606 801 3HZ LYS 101 3HZ LYS 101 -13.416 -0.623 -2.669 802 H MET 102 H MET 102 -11.061 3.308 -2.368 803 HA MET 102 HA MET 102 -10.684 4.327 -4.976 804 1HB MET 102 2HB MET 102 -12.356 5.365 -2.687 805 2HB MET 102 1HB MET 102 -12.436 5.985 -4.331 806 1HG MET 102 2HG MET 102 -13.100 3.736 -5.106 807 2HG MET 102 1HG MET 102 -13.115 3.197 -3.427 808 1HE MET 102 1HE MET 102 -16.664 3.260 -4.846 809 2HE MET 102 2HE MET 102 -16.274 2.781 -3.195 810 3HE MET 102 3HE MET 102 -15.196 2.339 -4.520 811 H THR 103 H THR 103 -9.699 5.425 -1.824 812 HA THR 103 HA THR 103 -8.863 8.007 -2.680 813 HB THR 103 HB THR 103 -8.923 6.482 -0.195 814 HG1 THR 103 HG1 THR 103 -9.267 8.575 0.623 815 1HG2 THR 103 1HG2 THR 103 -6.614 8.373 -0.568 816 2HG2 THR 103 2HG2 THR 103 -6.506 6.638 -0.271 817 3HG2 THR 103 3HG2 THR 103 -7.168 7.704 0.967 818 H LEU 104 H LEU 104 -7.346 4.868 -2.323 819 HA LEU 104 HA LEU 104 -4.678 5.746 -2.725 820 1HB LEU 104 2HB LEU 104 -6.031 3.072 -3.008 821 2HB LEU 104 1HB LEU 104 -4.329 3.292 -3.367 822 HG LEU 104 HG LEU 104 -5.600 3.863 -0.689 823 1HD1 LEU 104 1HD1 LEU 104 -3.907 1.524 -1.555 824 2HD1 LEU 104 2HD1 LEU 104 -5.643 1.474 -1.243 825 3HD1 LEU 104 3HD1 LEU 104 -4.519 1.827 0.070 826 1HD2 LEU 104 1HD2 LEU 104 -3.626 5.214 -1.111 827 2HD2 LEU 104 2HD2 LEU 104 -2.715 3.775 -1.568 828 3HD2 LEU 104 3HD2 LEU 104 -3.276 3.975 0.093 829 H GLN 105 H GLN 105 -7.284 4.760 -4.866 830 HA GLN 105 HA GLN 105 -5.726 4.539 -7.214 831 1HB GLN 105 2HB GLN 105 -8.667 5.027 -6.772 832 2HB GLN 105 1HB GLN 105 -7.964 4.871 -8.376 833 1HG GLN 105 2HG GLN 105 -7.203 2.624 -7.839 834 2HG GLN 105 1HG GLN 105 -7.868 2.779 -6.214 835 1HE2 GLN 105 1HE2 GLN 105 -8.535 2.171 -9.528 836 2HE2 GLN 105 2HE2 GLN 105 -10.214 1.804 -9.352 837 H GLN 106 H GLN 106 -7.303 7.210 -5.628 838 HA GLN 106 HA GLN 106 -7.090 9.065 -7.748 839 1HB GLN 106 2HB GLN 106 -7.282 9.460 -4.758 840 2HB GLN 106 1HB GLN 106 -7.304 10.788 -5.911 841 1HG GLN 106 2HG GLN 106 -9.310 9.806 -6.954 842 2HG GLN 106 1HG GLN 106 -9.304 8.548 -5.721 843 1HE2 GLN 106 1HE2 GLN 106 -8.784 9.849 -3.447 844 2HE2 GLN 106 2HE2 GLN 106 -10.010 11.018 -3.105 845 H ILE 107 H ILE 107 -4.954 8.200 -5.075 846 HA ILE 107 HA ILE 107 -3.018 10.188 -5.425 847 HB ILE 107 HB ILE 107 -2.651 7.333 -4.498 848 1HG1 ILE 107 2HG1 ILE 107 -2.853 9.829 -2.815 849 2HG1 ILE 107 1HG1 ILE 107 -4.260 8.858 -3.234 850 1HG2 ILE 107 1HG2 ILE 107 -0.704 9.261 -5.132 851 2HG2 ILE 107 2HG2 ILE 107 -0.477 7.712 -4.323 852 3HG2 ILE 107 3HG2 ILE 107 -0.770 9.167 -3.372 853 1HD1 ILE 107 1HD1 ILE 107 -2.155 8.378 -1.270 854 2HD1 ILE 107 2HD1 ILE 107 -2.568 6.973 -2.255 855 3HD1 ILE 107 3HD1 ILE 107 -3.819 7.797 -1.324 856 H ILE 108 H ILE 108 -3.377 7.002 -6.900 857 HA ILE 108 HA ILE 108 -1.057 6.824 -8.398 858 HB ILE 108 HB ILE 108 -3.725 6.041 -9.532 859 1HG1 ILE 108 2HG1 ILE 108 -3.926 5.190 -7.359 860 2HG1 ILE 108 1HG1 ILE 108 -3.330 3.832 -8.305 861 1HG2 ILE 108 1HG2 ILE 108 -2.273 4.048 -10.248 862 2HG2 ILE 108 2HG2 ILE 108 -0.909 5.087 -9.834 863 3HG2 ILE 108 3HG2 ILE 108 -2.062 5.594 -11.069 864 1HD1 ILE 108 1HD1 ILE 108 -1.722 3.592 -6.808 865 2HD1 ILE 108 2HD1 ILE 108 -2.194 5.086 -5.997 866 3HD1 ILE 108 3HD1 ILE 108 -1.056 5.137 -7.344 867 H SER 109 H SER 109 -4.146 8.164 -9.317 868 HA SER 109 HA SER 109 -3.549 9.073 -11.860 869 1HB SER 109 2HB SER 109 -5.824 9.055 -10.855 870 2HB SER 109 1HB SER 109 -5.372 10.454 -9.880 871 HG SER 109 HG SER 109 -6.507 10.832 -11.965 872 H ARG 110 H ARG 110 -2.662 10.422 -8.799 873 HA ARG 110 HA ARG 110 -1.968 13.006 -9.735 874 1HB ARG 110 2HB ARG 110 -0.866 11.602 -7.304 875 2HB ARG 110 1HB ARG 110 -0.921 13.335 -7.591 876 1HG ARG 110 2HG ARG 110 -3.507 11.913 -7.637 877 2HG ARG 110 1HG ARG 110 -2.696 12.042 -6.075 878 1HD ARG 110 2HD ARG 110 -3.490 14.291 -7.915 879 2HD ARG 110 1HD ARG 110 -4.167 13.917 -6.331 880 HE ARG 110 HE ARG 110 -1.461 14.339 -5.948 881 1HH1 ARG 110 1HH1 ARG 110 -4.199 16.176 -7.093 882 2HH1 ARG 110 2HH1 ARG 110 -3.562 17.694 -6.559 883 1HH2 ARG 110 1HH2 ARG 110 -0.622 16.336 -5.246 884 2HH2 ARG 110 2HH2 ARG 110 -1.532 17.785 -5.510 885 H TYR 111 H TYR 111 -0.271 9.983 -9.435 886 HA TYR 111 HA TYR 111 2.321 11.041 -9.961 887 1HB TYR 111 2HB TYR 111 1.196 8.245 -10.068 888 2HB TYR 111 1HB TYR 111 2.878 8.604 -10.446 889 HD1 TYR 111 HD1 TYR 111 0.570 7.826 -7.865 890 HD2 TYR 111 HD2 TYR 111 4.226 9.862 -8.628 891 HE1 TYR 111 HE1 TYR 111 1.127 7.708 -5.474 892 HE2 TYR 111 HE2 TYR 111 4.794 9.750 -6.239 893 HH TYR 111 HH TYR 111 4.249 8.496 -4.271 894 H LYS 112 H LYS 112 -0.335 10.007 -11.910 895 HA LYS 112 HA LYS 112 1.103 9.668 -14.337 896 1HB LYS 112 2HB LYS 112 -1.833 10.248 -13.912 897 2HB LYS 112 1HB LYS 112 -1.105 9.677 -15.408 898 1HG LYS 112 2HG LYS 112 -1.153 8.171 -12.799 899 2HG LYS 112 1HG LYS 112 -2.211 7.879 -14.180 900 1HD LYS 112 2HD LYS 112 -0.685 6.455 -14.951 901 2HD LYS 112 1HD LYS 112 0.378 7.835 -15.224 902 1HE LYS 112 2HE LYS 112 0.748 7.418 -12.572 903 2HE LYS 112 1HE LYS 112 0.448 5.772 -13.129 904 1HZ LYS 112 1HZ LYS 112 2.259 5.892 -14.612 905 2HZ LYS 112 2HZ LYS 112 2.828 6.516 -13.146 906 3HZ LYS 112 3HZ LYS 112 2.429 7.563 -14.412 907 H ASP 113 H ASP 113 -0.505 12.362 -12.760 908 HA ASP 113 HA ASP 113 -0.563 14.152 -14.916 909 1HB ASP 113 2HB ASP 113 -1.745 14.457 -12.731 910 2HB ASP 113 1HB ASP 113 -0.194 14.857 -11.999 911 H ALA 114 H ALA 114 1.956 13.421 -12.559 912 HA ALA 114 HA ALA 114 3.726 15.497 -13.220 913 1HB ALA 114 1HB ALA 114 4.225 14.430 -11.227 914 2HB ALA 114 2HB ALA 114 5.471 13.812 -12.312 915 3HB ALA 114 3HB ALA 114 4.064 12.820 -11.931 916 H ASP 115 H ASP 115 3.156 12.355 -14.665 917 HA ASP 115 HA ASP 115 5.427 12.654 -16.463 918 1HB ASP 115 2HB ASP 115 4.901 10.441 -15.459 919 2HB ASP 115 1HB ASP 115 3.368 10.441 -16.324 Start of MODEL 18 1 HT1 PRO 1 HT2 PRO 1 -12.663 11.339 7.849 2 HT2 PRO 1 HT1 PRO 1 -13.383 10.070 6.966 3 HA PRO 1 HA PRO 1 -10.773 10.360 7.845 4 1HB PRO 1 2HB PRO 1 -11.136 7.734 8.688 5 2HB PRO 1 1HB PRO 1 -10.855 9.129 9.736 6 1HG PRO 1 2HG PRO 1 -13.412 7.775 9.032 7 2HG PRO 1 1HG PRO 1 -12.935 8.555 10.548 8 1HD PRO 1 2HD PRO 1 -14.647 9.710 8.785 9 2HD PRO 1 1HD PRO 1 -13.543 10.659 9.801 10 H SER 2 H SER 2 -12.156 10.348 5.418 11 HA SER 2 HA SER 2 -12.268 7.882 4.098 12 1HB SER 2 2HB SER 2 -11.644 10.589 2.893 13 2HB SER 2 1HB SER 2 -12.241 9.174 2.025 14 HG SER 2 HG SER 2 -14.192 9.434 2.899 15 H HIS 3 H HIS 3 -9.587 10.000 4.804 16 HA HIS 3 HA HIS 3 -7.790 8.410 3.131 17 1HB HIS 3 2HB HIS 3 -7.482 11.037 4.575 18 2HB HIS 3 1HB HIS 3 -6.099 10.179 3.901 19 HD1 HIS 3 HD1 HIS 3 -9.116 12.148 2.922 20 HD2 HIS 3 HD2 HIS 3 -5.926 10.203 1.102 21 HE1 HIS 3 HE1 HIS 3 -9.144 12.910 0.525 22 HE2 HIS 3 HE2 HIS 3 -7.152 11.788 -0.535 23 H SER 4 H SER 4 -9.009 7.413 5.658 24 HA SER 4 HA SER 4 -6.642 6.235 6.744 25 1HB SER 4 2HB SER 4 -6.844 7.060 9.025 26 2HB SER 4 1HB SER 4 -6.638 8.421 7.921 27 HG SER 4 HG SER 4 -8.896 7.618 9.368 28 H GLY 5 H GLY 5 -7.130 4.226 7.280 29 1HA GLY 5 2HA GLY 5 -9.590 3.568 8.643 30 2HA GLY 5 1HA GLY 5 -9.497 2.957 6.998 31 H ALA 6 H ALA 6 -9.632 1.416 9.454 32 HA ALA 6 HA ALA 6 -7.090 0.417 10.150 33 1HB ALA 6 1HB ALA 6 -8.302 -1.451 11.173 34 2HB ALA 6 2HB ALA 6 -9.790 -0.888 10.410 35 3HB ALA 6 3HB ALA 6 -8.985 0.114 11.619 36 H ALA 7 H ALA 7 -5.905 -1.261 9.415 37 HA ALA 7 HA ALA 7 -6.930 -3.091 7.446 38 1HB ALA 7 1HB ALA 7 -5.337 -2.528 5.693 39 2HB ALA 7 2HB ALA 7 -4.726 -1.191 6.669 40 3HB ALA 7 3HB ALA 7 -6.380 -1.152 6.058 41 H ILE 8 H ILE 8 -5.618 -4.923 7.117 42 HA ILE 8 HA ILE 8 -3.592 -5.306 9.194 43 HB ILE 8 HB ILE 8 -4.748 -7.366 7.325 44 1HG1 ILE 8 2HG1 ILE 8 -5.582 -6.931 10.183 45 2HG1 ILE 8 1HG1 ILE 8 -6.429 -6.182 8.829 46 1HG2 ILE 8 1HG2 ILE 8 -2.528 -7.731 8.613 47 2HG2 ILE 8 2HG2 ILE 8 -3.755 -8.994 8.626 48 3HG2 ILE 8 3HG2 ILE 8 -3.578 -7.924 10.016 49 1HD1 ILE 8 1HD1 ILE 8 -5.932 -9.112 8.822 50 2HD1 ILE 8 2HD1 ILE 8 -7.211 -8.179 8.038 51 3HD1 ILE 8 3HD1 ILE 8 -7.254 -8.441 9.783 52 H PHE 9 H PHE 9 -1.519 -5.917 8.779 53 HA PHE 9 HA PHE 9 -0.669 -6.321 6.026 54 1HB PHE 9 2HB PHE 9 -0.416 -3.913 6.340 55 2HB PHE 9 1HB PHE 9 0.525 -4.184 7.799 56 HD1 PHE 9 HD1 PHE 9 2.757 -3.797 7.541 57 HD2 PHE 9 HD2 PHE 9 0.579 -5.461 4.293 58 HE1 PHE 9 HE1 PHE 9 4.821 -3.866 6.201 59 HE2 PHE 9 HE2 PHE 9 2.636 -5.533 2.942 60 HZ PHE 9 HZ PHE 9 4.760 -4.735 3.898 61 H GLU 10 H GLU 10 0.170 -8.277 6.221 62 HA GLU 10 HA GLU 10 1.703 -9.881 6.717 63 1HB GLU 10 2HB GLU 10 2.845 -7.991 8.770 64 2HB GLU 10 1HB GLU 10 3.615 -9.422 8.104 65 1HG GLU 10 2HG GLU 10 3.617 -8.337 5.884 66 2HG GLU 10 1HG GLU 10 2.958 -6.883 6.631 67 H LYS 11 H LYS 11 -0.762 -10.143 7.732 68 HA LYS 11 HA LYS 11 -1.984 -11.259 9.256 69 1HB LYS 11 2HB LYS 11 0.792 -12.151 9.790 70 2HB LYS 11 1HB LYS 11 -0.476 -12.645 10.908 71 1HG LYS 11 2HG LYS 11 -0.877 -13.012 7.982 72 2HG LYS 11 1HG LYS 11 0.164 -14.138 8.860 73 1HD LYS 11 2HD LYS 11 -1.721 -14.504 10.463 74 2HD LYS 11 1HD LYS 11 -2.740 -13.528 9.403 75 1HE LYS 11 2HE LYS 11 -3.242 -15.506 8.459 76 2HE LYS 11 1HE LYS 11 -1.702 -15.289 7.629 77 1HZ LYS 11 1HZ LYS 11 -2.276 -17.467 8.983 78 2HZ LYS 11 2HZ LYS 11 -1.637 -16.557 10.258 79 3HZ LYS 11 3HZ LYS 11 -0.697 -16.864 8.885 80 H VAL 12 H VAL 12 -0.669 -8.511 9.940 81 HA VAL 12 HA VAL 12 -1.471 -8.584 12.741 82 HB VAL 12 HB VAL 12 0.795 -6.985 11.552 83 1HG1 VAL 12 1HG1 VAL 12 -0.314 -6.875 14.356 84 2HG1 VAL 12 2HG1 VAL 12 -0.489 -5.619 13.131 85 3HG1 VAL 12 3HG1 VAL 12 1.108 -6.014 13.766 86 1HG2 VAL 12 1HG2 VAL 12 2.240 -8.385 12.577 87 2HG2 VAL 12 2HG2 VAL 12 0.897 -9.518 12.429 88 3HG2 VAL 12 3HG2 VAL 12 1.166 -8.664 13.948 89 H SER 13 H SER 13 -2.829 -6.928 13.384 90 HA SER 13 HA SER 13 -3.908 -5.338 11.175 91 1HB SER 13 2HB SER 13 -5.848 -4.974 12.700 92 2HB SER 13 1HB SER 13 -5.539 -6.679 12.370 93 HG SER 13 HG SER 13 -4.895 -5.211 14.705 94 H GLY 14 H GLY 14 -4.347 -3.164 11.346 95 1HA GLY 14 2HA GLY 14 -3.615 -1.572 13.583 96 2HA GLY 14 1HA GLY 14 -2.360 -1.540 12.351 97 H ILE 15 H ILE 15 -3.434 0.822 12.869 98 HA ILE 15 HA ILE 15 -5.657 1.283 11.053 99 HB ILE 15 HB ILE 15 -4.193 3.145 12.918 100 1HG1 ILE 15 2HG1 ILE 15 -6.281 1.249 13.276 101 2HG1 ILE 15 1HG1 ILE 15 -5.625 2.377 14.458 102 1HG2 ILE 15 1HG2 ILE 15 -6.544 3.708 11.111 103 2HG2 ILE 15 2HG2 ILE 15 -4.933 4.416 10.999 104 3HG2 ILE 15 3HG2 ILE 15 -5.963 4.786 12.381 105 1HD1 ILE 15 1HD1 ILE 15 -7.247 4.075 13.616 106 2HD1 ILE 15 2HD1 ILE 15 -7.985 2.663 14.371 107 3HD1 ILE 15 3HD1 ILE 15 -7.960 2.811 12.614 108 H ILE 16 H ILE 16 -5.455 1.949 9.063 109 HA ILE 16 HA ILE 16 -2.811 2.708 8.075 110 HB ILE 16 HB ILE 16 -5.034 1.140 7.060 111 1HG1 ILE 16 2HG1 ILE 16 -2.161 1.554 6.234 112 2HG1 ILE 16 1HG1 ILE 16 -2.829 0.253 7.212 113 1HG2 ILE 16 1HG2 ILE 16 -4.004 3.338 5.273 114 2HG2 ILE 16 2HG2 ILE 16 -5.673 3.003 5.723 115 3HG2 ILE 16 3HG2 ILE 16 -4.805 1.888 4.672 116 1HD1 ILE 16 1HD1 ILE 16 -3.125 -0.968 5.398 117 2HD1 ILE 16 2HD1 ILE 16 -2.448 0.332 4.418 118 3HD1 ILE 16 3HD1 ILE 16 -4.184 0.269 4.722 119 H ALA 17 H ALA 17 -2.398 4.762 7.630 120 HA ALA 17 HA ALA 17 -4.644 6.551 6.971 121 1HB ALA 17 1HB ALA 17 -3.394 8.376 8.062 122 2HB ALA 17 2HB ALA 17 -2.190 7.204 8.597 123 3HB ALA 17 3HB ALA 17 -3.850 7.097 9.186 124 H ILE 18 H ILE 18 -4.354 7.973 5.299 125 HA ILE 18 HA ILE 18 -1.922 7.558 3.704 126 HB ILE 18 HB ILE 18 -4.773 7.885 3.033 127 1HG1 ILE 18 2HG1 ILE 18 -2.526 6.740 1.382 128 2HG1 ILE 18 1HG1 ILE 18 -3.281 5.851 2.701 129 1HG2 ILE 18 1HG2 ILE 18 -2.652 9.366 1.520 130 2HG2 ILE 18 2HG2 ILE 18 -4.220 9.941 2.087 131 3HG2 ILE 18 3HG2 ILE 18 -4.132 8.805 0.740 132 1HD1 ILE 18 1HD1 ILE 18 -4.435 6.673 0.077 133 2HD1 ILE 18 2HD1 ILE 18 -5.486 6.341 1.455 134 3HD1 ILE 18 3HD1 ILE 18 -4.409 5.085 0.844 135 H ASN 19 H ASN 19 -0.489 9.124 4.042 136 HA ASN 19 HA ASN 19 -1.441 11.867 4.471 137 1HB ASN 19 2HB ASN 19 0.135 10.811 6.138 138 2HB ASN 19 1HB ASN 19 1.361 10.806 4.873 139 1HD2 ASN 19 1HD2 ASN 19 2.136 12.091 6.960 140 2HD2 ASN 19 2HD2 ASN 19 2.012 13.807 6.793 141 H GLU 20 H GLU 20 -1.607 12.984 2.640 142 HA GLU 20 HA GLU 20 0.217 12.429 0.436 143 1HB GLU 20 2HB GLU 20 -1.292 14.180 -0.730 144 2HB GLU 20 1HB GLU 20 -1.951 12.588 -0.388 145 1HG GLU 20 2HG GLU 20 -3.504 14.444 0.107 146 2HG GLU 20 1HG GLU 20 -3.159 13.418 1.498 147 H ASP 21 H ASP 21 -0.067 14.613 3.017 148 HA ASP 21 HA ASP 21 0.892 16.996 1.972 149 1HB ASP 21 2HB ASP 21 0.090 16.632 4.319 150 2HB ASP 21 1HB ASP 21 1.625 15.843 4.669 151 H VAL 22 H VAL 22 2.495 13.992 2.446 152 HA VAL 22 HA VAL 22 5.152 15.066 2.322 153 HB VAL 22 HB VAL 22 4.592 12.206 1.845 154 1HG1 VAL 22 1HG1 VAL 22 6.802 13.870 2.831 155 2HG1 VAL 22 2HG1 VAL 22 6.835 12.382 1.884 156 3HG1 VAL 22 3HG1 VAL 22 6.598 12.310 3.629 157 1HG2 VAL 22 1HG2 VAL 22 3.895 13.690 4.289 158 2HG2 VAL 22 2HG2 VAL 22 4.781 12.184 4.523 159 3HG2 VAL 22 3HG2 VAL 22 3.244 12.179 3.657 160 H SER 23 H SER 23 6.664 14.617 0.629 161 HA SER 23 HA SER 23 5.469 13.894 -1.949 162 1HB SER 23 2HB SER 23 7.175 15.806 -2.778 163 2HB SER 23 1HB SER 23 5.479 16.122 -2.414 164 HG SER 23 HG SER 23 7.237 17.481 -1.393 165 HA PRO 24 HA PRO 24 5.616 12.442 -3.252 166 1HB PRO 24 2HB PRO 24 5.918 9.757 -3.323 167 2HB PRO 24 1HB PRO 24 6.677 10.831 -4.504 168 1HG PRO 24 2HG PRO 24 7.863 9.550 -2.072 169 2HG PRO 24 1HG PRO 24 8.553 9.717 -3.697 170 1HD PRO 24 2HD PRO 24 9.224 11.355 -1.641 171 2HD PRO 24 1HD PRO 24 9.212 11.890 -3.332 172 H ALA 25 H ALA 25 3.677 11.708 -2.451 173 HA ALA 25 HA ALA 25 3.244 11.668 0.291 174 1HB ALA 25 1HB ALA 25 1.563 10.511 -1.929 175 2HB ALA 25 2HB ALA 25 1.444 12.126 -1.229 176 3HB ALA 25 3HB ALA 25 1.014 10.713 -0.265 177 H GLU 26 H GLU 26 2.104 9.751 1.442 178 HA GLU 26 HA GLU 26 3.108 7.136 0.723 179 1HB GLU 26 2HB GLU 26 4.078 8.507 3.236 180 2HB GLU 26 1HB GLU 26 4.312 6.804 2.867 181 1HG GLU 26 2HG GLU 26 5.584 7.456 0.852 182 2HG GLU 26 1HG GLU 26 5.420 9.145 1.335 183 H LEU 27 H LEU 27 2.363 5.440 2.174 184 HA LEU 27 HA LEU 27 -0.143 6.171 3.537 185 1HB LEU 27 2HB LEU 27 -0.703 4.810 1.700 186 2HB LEU 27 1HB LEU 27 0.667 3.750 1.956 187 HG LEU 27 HG LEU 27 -0.395 2.794 3.926 188 1HD1 LEU 27 1HD1 LEU 27 -1.877 5.165 3.926 189 2HD1 LEU 27 2HD1 LEU 27 -2.019 3.807 5.041 190 3HD1 LEU 27 3HD1 LEU 27 -3.037 3.876 3.602 191 1HD2 LEU 27 1HD2 LEU 27 -2.063 2.878 1.422 192 2HD2 LEU 27 2HD2 LEU 27 -2.421 1.809 2.778 193 3HD2 LEU 27 3HD2 LEU 27 -0.891 1.655 1.914 194 H THR 28 H THR 28 0.059 6.110 5.701 195 HA THR 28 HA THR 28 2.130 4.544 6.931 196 HB THR 28 HB THR 28 0.295 6.025 8.636 197 HG1 THR 28 HG1 THR 28 0.763 8.036 7.833 198 1HG2 THR 28 1HG2 THR 28 2.305 7.076 9.432 199 2HG2 THR 28 2HG2 THR 28 3.213 6.385 8.089 200 3HG2 THR 28 3HG2 THR 28 2.537 5.331 9.329 201 H TRP 29 H TRP 29 1.813 2.981 8.481 202 HA TRP 29 HA TRP 29 -0.905 2.012 8.951 203 1HB TRP 29 2HB TRP 29 0.069 0.591 7.204 204 2HB TRP 29 1HB TRP 29 1.476 0.290 8.222 205 HD1 TRP 29 HD1 TRP 29 -2.318 0.026 8.936 206 HE1 TRP 29 HE1 TRP 29 -2.782 -2.293 9.976 207 HE3 TRP 29 HE3 TRP 29 2.432 -1.857 8.864 208 HZ2 TRP 29 HZ2 TRP 29 -1.321 -4.581 10.669 209 HZ3 TRP 29 HZ3 TRP 29 2.812 -4.129 9.742 210 HH2 TRP 29 HH2 TRP 29 0.961 -5.468 10.624 211 H ARG 30 H ARG 30 -1.169 2.282 11.084 212 HA ARG 30 HA ARG 30 1.121 1.750 12.853 213 1HB ARG 30 2HB ARG 30 -1.468 3.245 13.301 214 2HB ARG 30 1HB ARG 30 -0.349 2.859 14.601 215 1HG ARG 30 2HG ARG 30 0.370 4.952 14.111 216 2HG ARG 30 1HG ARG 30 1.373 4.044 12.978 217 1HD ARG 30 2HD ARG 30 -0.207 4.481 11.191 218 2HD ARG 30 1HD ARG 30 -1.280 5.315 12.314 219 HE ARG 30 HE ARG 30 1.000 6.404 11.010 220 1HH1 ARG 30 1HH1 ARG 30 -0.832 6.541 13.978 221 2HH1 ARG 30 2HH1 ARG 30 -0.358 8.165 14.342 222 1HH2 ARG 30 1HH2 ARG 30 1.624 8.542 11.488 223 2HH2 ARG 30 2HH2 ARG 30 1.036 9.302 12.930 224 H SER 31 H SER 31 1.172 -0.097 14.011 225 HA SER 31 HA SER 31 -0.723 -2.108 13.704 226 1HB SER 31 2HB SER 31 1.389 -2.861 14.351 227 2HB SER 31 1HB SER 31 1.527 -1.669 15.643 228 HG SER 31 HG SER 31 0.818 -4.127 15.932 229 H THR 32 H THR 32 -2.156 -3.067 15.230 230 HA THR 32 HA THR 32 -3.950 -1.315 16.421 231 HB THR 32 HB THR 32 -3.425 -4.226 16.377 232 HG1 THR 32 HG1 THR 32 -5.634 -2.544 15.843 233 1HG2 THR 32 1HG2 THR 32 -3.898 -4.118 18.667 234 2HG2 THR 32 2HG2 THR 32 -5.374 -4.648 17.862 235 3HG2 THR 32 3HG2 THR 32 -5.221 -2.982 18.419 236 H ASP 33 H ASP 33 -1.121 -2.915 17.585 237 HA ASP 33 HA ASP 33 -1.572 -2.485 20.359 238 1HB ASP 33 2HB ASP 33 0.961 -3.101 18.836 239 2HB ASP 33 1HB ASP 33 0.846 -3.070 20.594 240 H GLY 34 H GLY 34 -0.066 -0.671 17.812 241 1HA GLY 34 2HA GLY 34 0.343 1.618 17.761 242 2HA GLY 34 1HA GLY 34 -0.029 1.696 19.477 243 H ASP 35 H ASP 35 2.218 -0.652 18.314 244 HA ASP 35 HA ASP 35 4.408 0.909 19.499 245 1HB ASP 35 2HB ASP 35 4.004 -2.083 19.398 246 2HB ASP 35 1HB ASP 35 5.489 -1.311 19.946 247 H LYS 36 H LYS 36 3.262 -0.622 16.665 248 HA LYS 36 HA LYS 36 5.878 -0.192 15.388 249 1HB LYS 36 2HB LYS 36 4.138 -2.564 15.376 250 2HB LYS 36 1HB LYS 36 4.703 -2.070 13.786 251 1HG LYS 36 2HG LYS 36 7.018 -2.141 14.608 252 2HG LYS 36 1HG LYS 36 6.425 -2.701 16.173 253 1HD LYS 36 2HD LYS 36 5.435 -4.669 15.061 254 2HD LYS 36 1HD LYS 36 6.116 -4.120 13.528 255 1HE LYS 36 2HE LYS 36 7.620 -4.957 16.002 256 2HE LYS 36 1HE LYS 36 7.561 -5.798 14.454 257 1HZ LYS 36 1HZ LYS 36 8.646 -3.841 13.450 258 2HZ LYS 36 2HZ LYS 36 9.608 -4.598 14.618 259 3HZ LYS 36 3HZ LYS 36 8.805 -3.156 14.989 260 H VAL 37 H VAL 37 5.884 1.022 13.595 261 HA VAL 37 HA VAL 37 3.300 1.642 12.329 262 HB VAL 37 HB VAL 37 5.492 3.668 12.782 263 1HG1 VAL 37 1HG1 VAL 37 4.365 4.549 11.021 264 2HG1 VAL 37 2HG1 VAL 37 3.305 5.118 12.311 265 3HG1 VAL 37 3HG1 VAL 37 2.878 3.676 11.391 266 1HG2 VAL 37 1HG2 VAL 37 3.144 2.904 14.437 267 2HG2 VAL 37 2HG2 VAL 37 3.546 4.616 14.306 268 3HG2 VAL 37 3HG2 VAL 37 4.737 3.477 14.929 269 H HIS 38 H HIS 38 3.309 1.138 10.253 270 HA HIS 38 HA HIS 38 5.888 1.055 8.834 271 1HB HIS 38 2HB HIS 38 4.566 -1.083 9.002 272 2HB HIS 38 1HB HIS 38 3.344 -0.317 7.996 273 HD1 HIS 38 HD1 HIS 38 6.069 -2.530 7.689 274 HD2 HIS 38 HD2 HIS 38 4.711 0.702 5.460 275 HE1 HIS 38 HE1 HIS 38 7.090 -2.810 5.406 276 HE2 HIS 38 HE2 HIS 38 6.324 -0.796 4.103 277 H THR 39 H THR 39 6.143 2.050 6.910 278 HA THR 39 HA THR 39 3.933 3.781 6.004 279 HB THR 39 HB THR 39 6.879 4.461 5.904 280 HG1 THR 39 HG1 THR 39 4.853 5.291 7.702 281 1HG2 THR 39 1HG2 THR 39 5.848 5.716 4.228 282 2HG2 THR 39 2HG2 THR 39 5.924 6.797 5.620 283 3HG2 THR 39 3HG2 THR 39 4.407 6.000 5.203 284 H VAL 40 H VAL 40 3.430 3.708 3.895 285 HA VAL 40 HA VAL 40 5.169 2.094 2.144 286 HB VAL 40 HB VAL 40 2.207 2.565 1.801 287 1HG1 VAL 40 1HG1 VAL 40 3.379 2.048 -0.264 288 2HG1 VAL 40 2HG1 VAL 40 2.357 0.695 0.223 289 3HG1 VAL 40 3HG1 VAL 40 4.100 0.622 0.484 290 1HG2 VAL 40 1HG2 VAL 40 3.391 -0.029 2.706 291 2HG2 VAL 40 2HG2 VAL 40 1.731 0.552 2.844 292 3HG2 VAL 40 3HG2 VAL 40 2.992 1.230 3.875 293 H VAL 41 H VAL 41 5.919 2.960 0.297 294 HA VAL 41 HA VAL 41 5.381 5.768 -0.205 295 HB VAL 41 HB VAL 41 7.186 4.020 -1.862 296 1HG1 VAL 41 1HG1 VAL 41 7.926 6.782 -1.216 297 2HG1 VAL 41 2HG1 VAL 41 6.448 6.617 -2.163 298 3HG1 VAL 41 3HG1 VAL 41 7.957 5.927 -2.757 299 1HG2 VAL 41 1HG2 VAL 41 8.229 3.554 0.099 300 2HG2 VAL 41 2HG2 VAL 41 7.566 4.972 0.914 301 3HG2 VAL 41 3HG2 VAL 41 8.935 5.144 -0.184 302 H LEU 42 H LEU 42 3.685 6.303 -1.397 303 HA LEU 42 HA LEU 42 2.380 4.489 -3.158 304 1HB LEU 42 2HB LEU 42 1.972 7.468 -3.036 305 2HB LEU 42 1HB LEU 42 0.830 6.250 -3.573 306 HG LEU 42 HG LEU 42 1.761 6.733 -0.745 307 1HD1 LEU 42 1HD1 LEU 42 0.118 8.267 -0.967 308 2HD1 LEU 42 2HD1 LEU 42 -0.908 6.864 -0.666 309 3HD1 LEU 42 3HD1 LEU 42 -0.641 7.423 -2.318 310 1HD2 LEU 42 1HD2 LEU 42 -0.205 4.961 -0.444 311 2HD2 LEU 42 2HD2 LEU 42 1.485 4.483 -0.606 312 3HD2 LEU 42 3HD2 LEU 42 0.411 4.417 -2.005 313 H SER 43 H SER 43 5.088 6.469 -3.581 314 HA SER 43 HA SER 43 4.658 7.100 -6.350 315 1HB SER 43 2HB SER 43 6.888 8.018 -6.310 316 2HB SER 43 1HB SER 43 6.079 8.487 -4.815 317 HG SER 43 HG SER 43 8.319 7.593 -4.704 318 H THR 44 H THR 44 6.046 4.490 -4.533 319 HA THR 44 HA THR 44 7.398 3.382 -6.835 320 HB THR 44 HB THR 44 8.319 3.214 -4.503 321 HG1 THR 44 HG1 THR 44 9.173 1.255 -4.907 322 1HG2 THR 44 1HG2 THR 44 5.798 2.143 -3.895 323 2HG2 THR 44 2HG2 THR 44 7.199 2.304 -2.834 324 3HG2 THR 44 3HG2 THR 44 6.956 0.821 -3.757 325 H ILE 45 H ILE 45 4.342 3.136 -5.296 326 HA ILE 45 HA ILE 45 3.588 0.536 -6.043 327 HB ILE 45 HB ILE 45 1.769 2.932 -5.774 328 1HG1 ILE 45 2HG1 ILE 45 3.116 2.743 -3.773 329 2HG1 ILE 45 1HG1 ILE 45 1.492 2.166 -3.420 330 1HG2 ILE 45 1HG2 ILE 45 0.044 1.317 -5.258 331 2HG2 ILE 45 2HG2 ILE 45 1.202 -0.006 -5.403 332 3HG2 ILE 45 3HG2 ILE 45 0.763 0.942 -6.824 333 1HD1 ILE 45 1HD1 ILE 45 2.307 -0.151 -3.707 334 2HD1 ILE 45 2HD1 ILE 45 3.091 0.716 -2.386 335 3HD1 ILE 45 3HD1 ILE 45 3.937 0.488 -3.916 336 H ASP 46 H ASP 46 4.132 0.044 -8.140 337 HA ASP 46 HA ASP 46 3.632 1.665 -10.381 338 1HB ASP 46 2HB ASP 46 5.196 -0.276 -10.348 339 2HB ASP 46 1HB ASP 46 3.806 -1.355 -10.298 340 H LYS 47 H LYS 47 1.636 -0.585 -8.612 341 HA LYS 47 HA LYS 47 -0.728 0.394 -9.913 342 1HB LYS 47 2HB LYS 47 0.473 -2.161 -10.729 343 2HB LYS 47 1HB LYS 47 -1.223 -2.282 -10.279 344 1HG LYS 47 2HG LYS 47 -1.824 -0.619 -11.915 345 2HG LYS 47 1HG LYS 47 -0.124 -0.348 -12.307 346 1HD LYS 47 2HD LYS 47 -1.187 -1.776 -13.975 347 2HD LYS 47 1HD LYS 47 0.063 -2.658 -13.094 348 1HE LYS 47 2HE LYS 47 -1.490 -3.912 -11.900 349 2HE LYS 47 1HE LYS 47 -2.796 -2.768 -12.209 350 1HZ LYS 47 1HZ LYS 47 -2.653 -5.014 -13.502 351 2HZ LYS 47 2HZ LYS 47 -1.578 -4.159 -14.486 352 3HZ LYS 47 3HZ LYS 47 -3.164 -3.605 -14.287 353 H LEU 48 H LEU 48 -2.712 -0.629 -8.990 354 HA LEU 48 HA LEU 48 -2.217 -1.715 -6.300 355 1HB LEU 48 2HB LEU 48 -3.942 -0.354 -5.371 356 2HB LEU 48 1HB LEU 48 -2.835 0.694 -6.235 357 HG LEU 48 HG LEU 48 -5.366 -0.278 -7.526 358 1HD1 LEU 48 1HD1 LEU 48 -5.319 1.243 -5.195 359 2HD1 LEU 48 2HD1 LEU 48 -6.666 1.055 -6.318 360 3HD1 LEU 48 3HD1 LEU 48 -5.551 2.410 -6.498 361 1HD2 LEU 48 1HD2 LEU 48 -4.244 0.741 -9.198 362 2HD2 LEU 48 2HD2 LEU 48 -3.248 1.693 -8.097 363 3HD2 LEU 48 3HD2 LEU 48 -4.899 2.200 -8.456 364 H GLN 49 H GLN 49 -3.457 -3.406 -5.695 365 HA GLN 49 HA GLN 49 -5.660 -4.187 -7.489 366 1HB GLN 49 2HB GLN 49 -3.695 -6.033 -6.119 367 2HB GLN 49 1HB GLN 49 -5.045 -6.535 -7.126 368 1HG GLN 49 2HG GLN 49 -2.674 -4.921 -8.040 369 2HG GLN 49 1HG GLN 49 -2.928 -6.641 -8.326 370 1HE2 GLN 49 1HE2 GLN 49 -2.884 -3.940 -9.922 371 2HE2 GLN 49 2HE2 GLN 49 -4.187 -4.157 -11.037 372 H ALA 50 H ALA 50 -7.479 -5.090 -6.547 373 HA ALA 50 HA ALA 50 -7.528 -5.269 -3.618 374 1HB ALA 50 1HB ALA 50 -9.966 -4.224 -4.036 375 2HB ALA 50 2HB ALA 50 -9.067 -3.414 -5.318 376 3HB ALA 50 3HB ALA 50 -8.547 -3.254 -3.639 377 H THR 51 H THR 51 -9.412 -6.446 -2.790 378 HA THR 51 HA THR 51 -9.855 -8.835 -4.270 379 HB THR 51 HB THR 51 -11.633 -9.119 -2.324 380 HG1 THR 51 HG1 THR 51 -11.360 -6.848 -1.746 381 1HG2 THR 51 1HG2 THR 51 -8.653 -9.171 -2.026 382 2HG2 THR 51 2HG2 THR 51 -9.765 -10.519 -2.270 383 3HG2 THR 51 3HG2 THR 51 -9.741 -9.664 -0.727 384 HA PRO 52 HA PRO 52 -13.458 -7.745 -6.580 385 1HB PRO 52 2HB PRO 52 -14.645 -10.177 -6.820 386 2HB PRO 52 1HB PRO 52 -13.192 -9.722 -7.718 387 1HG PRO 52 2HG PRO 52 -13.441 -11.346 -5.216 388 2HG PRO 52 1HG PRO 52 -12.424 -11.635 -6.640 389 1HD PRO 52 2HD PRO 52 -11.455 -10.549 -4.360 390 2HD PRO 52 1HD PRO 52 -10.826 -10.113 -5.963 391 H ALA 53 H ALA 53 -15.699 -7.434 -6.404 392 HA ALA 53 HA ALA 53 -16.694 -7.109 -3.787 393 1HB ALA 53 1HB ALA 53 -17.490 -5.659 -5.492 394 2HB ALA 53 2HB ALA 53 -18.866 -6.621 -4.952 395 3HB ALA 53 3HB ALA 53 -18.056 -7.012 -6.470 396 H SER 54 H SER 54 -16.637 -9.835 -5.854 397 HA SER 54 HA SER 54 -18.912 -11.124 -4.581 398 1HB SER 54 2HB SER 54 -17.000 -12.048 -6.733 399 2HB SER 54 1HB SER 54 -18.323 -13.028 -6.107 400 HG SER 54 HG SER 54 -19.769 -11.445 -6.839 401 H SER 55 H SER 55 -15.801 -10.605 -3.686 402 HA SER 55 HA SER 55 -15.501 -13.235 -2.408 403 1HB SER 55 2HB SER 55 -13.538 -11.121 -3.235 404 2HB SER 55 1HB SER 55 -13.122 -12.251 -1.946 405 HG SER 55 HG SER 55 -12.487 -12.960 -4.062 406 H GLU 56 H GLU 56 -16.240 -13.311 -0.408 407 HA GLU 56 HA GLU 56 -16.900 -11.108 1.173 408 1HB GLU 56 2HB GLU 56 -16.256 -13.941 2.009 409 2HB GLU 56 1HB GLU 56 -17.012 -12.739 3.048 410 1HG GLU 56 2HG GLU 56 -18.895 -12.601 1.461 411 2HG GLU 56 1HG GLU 56 -18.147 -13.877 0.503 412 H LYS 57 H LYS 57 -13.865 -12.536 0.533 413 HA LYS 57 HA LYS 57 -12.601 -11.547 2.949 414 1HB LYS 57 2HB LYS 57 -11.454 -12.867 0.484 415 2HB LYS 57 1HB LYS 57 -10.516 -12.422 1.903 416 1HG LYS 57 2HG LYS 57 -11.929 -13.931 3.260 417 2HG LYS 57 1HG LYS 57 -12.752 -14.433 1.782 418 1HD LYS 57 2HD LYS 57 -10.568 -15.174 0.874 419 2HD LYS 57 1HD LYS 57 -9.822 -14.768 2.420 420 1HE LYS 57 2HE LYS 57 -11.163 -16.408 3.558 421 2HE LYS 57 1HE LYS 57 -12.085 -16.731 2.091 422 1HZ LYS 57 1HZ LYS 57 -10.408 -17.947 1.191 423 2HZ LYS 57 2HZ LYS 57 -10.086 -18.247 2.823 424 3HZ LYS 57 3HZ LYS 57 -9.185 -17.089 1.984 425 H MET 58 H MET 58 -12.035 -9.492 3.154 426 HA MET 58 HA MET 58 -11.635 -7.857 0.768 427 1HB MET 58 2HB MET 58 -11.952 -7.145 3.685 428 2HB MET 58 1HB MET 58 -11.620 -5.963 2.427 429 1HG MET 58 2HG MET 58 -13.781 -5.794 2.022 430 2HG MET 58 1HG MET 58 -13.827 -7.495 1.567 431 1HE MET 58 1HE MET 58 -16.115 -7.367 1.982 432 2HE MET 58 2HE MET 58 -16.953 -7.240 3.528 433 3HE MET 58 3HE MET 58 -16.188 -8.760 3.062 434 H MET 59 H MET 59 -9.645 -7.735 -0.016 435 HA MET 59 HA MET 59 -7.435 -7.113 1.762 436 1HB MET 59 2HB MET 59 -7.297 -9.494 -0.096 437 2HB MET 59 1HB MET 59 -6.002 -8.900 0.935 438 1HG MET 59 2HG MET 59 -7.450 -9.389 2.904 439 2HG MET 59 1HG MET 59 -8.593 -10.153 1.801 440 1HE MET 59 1HE MET 59 -5.159 -9.830 3.010 441 2HE MET 59 2HE MET 59 -4.296 -10.949 1.956 442 3HE MET 59 3HE MET 59 -4.777 -11.456 3.575 443 H LEU 60 H LEU 60 -6.029 -5.732 0.838 444 HA LEU 60 HA LEU 60 -6.288 -5.287 -2.065 445 1HB LEU 60 2HB LEU 60 -7.012 -3.470 -0.362 446 2HB LEU 60 1HB LEU 60 -5.293 -3.217 -0.135 447 HG LEU 60 HG LEU 60 -6.524 -3.100 -2.871 448 1HD1 LEU 60 1HD1 LEU 60 -7.785 -1.538 -1.517 449 2HD1 LEU 60 2HD1 LEU 60 -6.691 -0.665 -2.591 450 3HD1 LEU 60 3HD1 LEU 60 -6.292 -0.846 -0.883 451 1HD2 LEU 60 1HD2 LEU 60 -4.153 -3.232 -2.894 452 2HD2 LEU 60 2HD2 LEU 60 -4.007 -2.033 -1.610 453 3HD2 LEU 60 3HD2 LEU 60 -4.576 -1.550 -3.208 454 H ARG 61 H ARG 61 -4.524 -5.564 -3.279 455 HA ARG 61 HA ARG 61 -1.942 -5.895 -1.903 456 1HB ARG 61 2HB ARG 61 -2.808 -7.882 -3.111 457 2HB ARG 61 1HB ARG 61 -2.783 -6.956 -4.606 458 1HG ARG 61 2HG ARG 61 -0.342 -6.674 -4.347 459 2HG ARG 61 1HG ARG 61 -0.407 -7.707 -2.917 460 1HD ARG 61 2HD ARG 61 -1.232 -8.505 -5.707 461 2HD ARG 61 1HD ARG 61 0.278 -8.953 -4.914 462 HE ARG 61 HE ARG 61 -2.019 -9.721 -3.399 463 1HH1 ARG 61 1HH1 ARG 61 0.022 -10.638 -6.077 464 2HH1 ARG 61 2HH1 ARG 61 -0.342 -12.326 -5.939 465 1HH2 ARG 61 1HH2 ARG 61 -2.499 -11.941 -3.216 466 2HH2 ARG 61 2HH2 ARG 61 -1.774 -13.066 -4.315 467 H LEU 62 H LEU 62 -0.192 -4.734 -2.499 468 HA LEU 62 HA LEU 62 -0.565 -2.774 -4.669 469 1HB LEU 62 2HB LEU 62 0.144 -2.411 -1.893 470 2HB LEU 62 1HB LEU 62 1.410 -1.793 -2.937 471 HG LEU 62 HG LEU 62 -0.285 -0.414 -4.118 472 1HD1 LEU 62 1HD1 LEU 62 -2.135 -2.066 -3.122 473 2HD1 LEU 62 2HD1 LEU 62 -2.491 -0.412 -3.619 474 3HD1 LEU 62 3HD1 LEU 62 -2.220 -0.781 -1.916 475 1HD2 LEU 62 1HD2 LEU 62 1.068 0.188 -1.926 476 2HD2 LEU 62 2HD2 LEU 62 -0.557 0.291 -1.247 477 3HD2 LEU 62 3HD2 LEU 62 -0.110 1.299 -2.624 478 H ILE 63 H ILE 63 0.857 -2.819 -6.262 479 HA ILE 63 HA ILE 63 3.254 -4.489 -5.949 480 HB ILE 63 HB ILE 63 2.021 -3.547 -8.535 481 1HG1 ILE 63 2HG1 ILE 63 1.394 -6.135 -8.517 482 2HG1 ILE 63 1HG1 ILE 63 1.398 -5.870 -6.776 483 1HG2 ILE 63 1HG2 ILE 63 3.956 -5.790 -7.977 484 2HG2 ILE 63 2HG2 ILE 63 4.402 -4.201 -8.598 485 3HG2 ILE 63 3HG2 ILE 63 3.373 -5.265 -9.557 486 1HD1 ILE 63 1HD1 ILE 63 -0.136 -4.041 -8.561 487 2HD1 ILE 63 2HD1 ILE 63 -0.393 -4.427 -6.859 488 3HD1 ILE 63 3HD1 ILE 63 -0.798 -5.609 -8.104 489 H GLY 64 H GLY 64 5.264 -3.689 -6.251 490 1HA GLY 64 2HA GLY 64 5.506 -0.790 -6.491 491 2HA GLY 64 1HA GLY 64 6.774 -1.903 -6.001 492 H LYS 65 H LYS 65 7.256 0.132 -7.808 493 HA LYS 65 HA LYS 65 7.089 -0.852 -10.500 494 1HB LYS 65 2HB LYS 65 8.107 1.581 -9.156 495 2HB LYS 65 1HB LYS 65 8.881 1.157 -10.678 496 1HG LYS 65 2HG LYS 65 6.708 1.145 -11.784 497 2HG LYS 65 1HG LYS 65 5.931 1.573 -10.256 498 1HD LYS 65 2HD LYS 65 7.264 3.653 -10.202 499 2HD LYS 65 1HD LYS 65 7.950 3.229 -11.772 500 1HE LYS 65 2HE LYS 65 5.007 3.206 -11.605 501 2HE LYS 65 1HE LYS 65 5.770 4.787 -11.447 502 1HZ LYS 65 1HZ LYS 65 5.472 4.590 -13.708 503 2HZ LYS 65 2HZ LYS 65 5.810 2.933 -13.734 504 3HZ LYS 65 3HZ LYS 65 7.066 4.049 -13.534 505 H VAL 66 H VAL 66 9.250 -0.666 -11.808 506 HA VAL 66 HA VAL 66 11.351 -2.155 -10.373 507 HB VAL 66 HB VAL 66 10.533 -2.674 -13.232 508 1HG1 VAL 66 1HG1 VAL 66 12.076 -4.647 -11.681 509 2HG1 VAL 66 2HG1 VAL 66 12.925 -3.159 -12.095 510 3HG1 VAL 66 3HG1 VAL 66 12.227 -4.158 -13.368 511 1HG2 VAL 66 1HG2 VAL 66 9.125 -3.426 -10.968 512 2HG2 VAL 66 2HG2 VAL 66 10.090 -4.848 -11.363 513 3HG2 VAL 66 3HG2 VAL 66 9.005 -4.157 -12.569 514 H ASP 67 H ASP 67 13.373 -1.406 -10.640 515 HA ASP 67 HA ASP 67 14.374 -0.175 -12.954 516 1HB ASP 67 2HB ASP 67 12.835 1.651 -12.256 517 2HB ASP 67 1HB ASP 67 13.714 1.775 -10.736 518 H GLU 68 H GLU 68 15.243 -2.145 -11.181 519 HA GLU 68 HA GLU 68 17.746 -0.932 -10.250 520 1HB GLU 68 2HB GLU 68 16.082 -2.899 -8.667 521 2HB GLU 68 1HB GLU 68 17.700 -2.363 -8.230 522 1HG GLU 68 2HG GLU 68 16.861 -0.057 -8.054 523 2HG GLU 68 1HG GLU 68 15.238 -0.642 -8.417 524 H SER 69 H SER 69 17.274 -2.307 -12.658 525 HA SER 69 HA SER 69 18.204 -5.022 -12.333 526 1HB SER 69 2HB SER 69 17.992 -5.207 -14.730 527 2HB SER 69 1HB SER 69 16.575 -4.353 -14.118 528 HG SER 69 HG SER 69 18.861 -3.220 -15.360 529 H LYS 70 H LYS 70 19.546 -1.912 -12.989 530 HA LYS 70 HA LYS 70 22.028 -2.882 -14.061 531 1HB LYS 70 2HB LYS 70 21.201 -0.162 -13.038 532 2HB LYS 70 1HB LYS 70 22.765 -0.505 -13.763 533 1HG LYS 70 2HG LYS 70 21.601 -1.208 -15.832 534 2HG LYS 70 1HG LYS 70 20.075 -0.718 -15.096 535 1HD LYS 70 2HD LYS 70 20.978 1.571 -14.840 536 2HD LYS 70 1HD LYS 70 22.445 1.057 -15.677 537 1HE LYS 70 2HE LYS 70 21.385 0.875 -17.709 538 2HE LYS 70 1HE LYS 70 19.804 0.600 -16.980 539 1HZ LYS 70 1HZ LYS 70 21.183 3.116 -17.536 540 2HZ LYS 70 2HZ LYS 70 20.205 3.054 -16.158 541 3HZ LYS 70 3HZ LYS 70 19.542 2.729 -17.679 542 H LYS 71 H LYS 71 20.827 -1.878 -10.915 543 HA LYS 71 HA LYS 71 23.461 -2.217 -9.711 544 1HB LYS 71 2HB LYS 71 20.823 -1.370 -8.502 545 2HB LYS 71 1HB LYS 71 22.354 -1.428 -7.640 546 1HG LYS 71 2HG LYS 71 23.048 0.518 -8.493 547 2HG LYS 71 1HG LYS 71 22.441 0.139 -10.106 548 1HD LYS 71 2HD LYS 71 20.484 1.200 -9.754 549 2HD LYS 71 1HD LYS 71 20.363 0.633 -8.087 550 1HE LYS 71 2HE LYS 71 22.506 2.580 -8.585 551 2HE LYS 71 1HE LYS 71 20.872 3.201 -8.817 552 1HZ LYS 71 1HZ LYS 71 21.794 1.796 -6.369 553 2HZ LYS 71 2HZ LYS 71 20.302 2.559 -6.598 554 3HZ LYS 71 3HZ LYS 71 21.720 3.478 -6.532 555 H ARG 72 H ARG 72 24.097 -4.091 -8.895 556 HA ARG 72 HA ARG 72 22.086 -5.923 -7.793 557 1HB ARG 72 2HB ARG 72 24.304 -6.664 -9.706 558 2HB ARG 72 1HB ARG 72 23.351 -7.832 -8.801 559 1HG ARG 72 2HG ARG 72 21.317 -6.968 -9.911 560 2HG ARG 72 1HG ARG 72 22.338 -5.905 -10.880 561 1HD ARG 72 2HD ARG 72 23.548 -7.939 -11.687 562 2HD ARG 72 1HD ARG 72 22.343 -8.918 -10.851 563 HE ARG 72 HE ARG 72 20.923 -7.205 -12.473 564 1HH1 ARG 72 1HH1 ARG 72 23.345 -9.678 -12.918 565 2HH1 ARG 72 2HH1 ARG 72 22.780 -10.123 -14.493 566 1HH2 ARG 72 1HH2 ARG 72 20.180 -7.789 -14.545 567 2HH2 ARG 72 2HH2 ARG 72 20.985 -9.050 -15.418 568 H LYS 73 H LYS 73 22.617 -6.750 -5.867 569 HA LYS 73 HA LYS 73 25.362 -6.303 -4.903 570 1HB LYS 73 2HB LYS 73 22.691 -6.164 -3.596 571 2HB LYS 73 1HB LYS 73 24.047 -6.718 -2.622 572 1HG LYS 73 2HG LYS 73 23.936 -4.420 -2.240 573 2HG LYS 73 1HG LYS 73 25.253 -4.613 -3.398 574 1HD LYS 73 2HD LYS 73 23.694 -4.049 -5.223 575 2HD LYS 73 1HD LYS 73 22.416 -3.799 -4.032 576 1HE LYS 73 2HE LYS 73 25.025 -2.289 -4.058 577 2HE LYS 73 1HE LYS 73 23.540 -1.705 -4.810 578 1HZ LYS 73 1HZ LYS 73 22.630 -1.206 -2.830 579 2HZ LYS 73 2HZ LYS 73 24.238 -1.136 -2.313 580 3HZ LYS 73 3HZ LYS 73 23.320 -2.528 -2.034 581 H ASP 74 H ASP 74 26.041 -7.892 -3.162 582 HA ASP 74 HA ASP 74 24.942 -10.441 -2.931 583 1HB ASP 74 2HB ASP 74 25.844 -10.239 -5.446 584 2HB ASP 74 1HB ASP 74 27.340 -10.730 -4.656 585 H ASN 75 H ASN 75 27.850 -8.522 -3.036 586 HA ASN 75 HA ASN 75 29.524 -10.114 -1.475 587 1HB ASN 75 2HB ASN 75 29.414 -7.105 -1.723 588 2HB ASN 75 1HB ASN 75 30.730 -7.991 -0.958 589 1HD2 ASN 75 1HD2 ASN 75 31.135 -6.290 -3.094 590 2HD2 ASN 75 2HD2 ASN 75 31.620 -7.216 -4.470 591 H GLU 76 H GLU 76 26.777 -8.256 -0.595 592 HA GLU 76 HA GLU 76 27.493 -8.300 2.240 593 1HB GLU 76 2HB GLU 76 25.168 -7.012 0.801 594 2HB GLU 76 1HB GLU 76 25.441 -6.924 2.535 595 1HG GLU 76 2HG GLU 76 27.282 -5.856 0.406 596 2HG GLU 76 1HG GLU 76 26.183 -4.902 1.401 597 H GLY 77 H GLY 77 27.015 -10.791 1.015 598 1HA GLY 77 2HA GLY 77 25.871 -12.742 1.400 599 2HA GLY 77 1HA GLY 77 25.242 -11.963 2.843 600 H ASN 78 H ASN 78 24.725 -10.850 -0.457 601 HA ASN 78 HA ASN 78 21.851 -11.339 -0.077 602 1HB ASN 78 2HB ASN 78 23.297 -9.340 -1.825 603 2HB ASN 78 1HB ASN 78 21.554 -9.589 -1.847 604 1HD2 ASN 78 1HD2 ASN 78 22.606 -7.131 -1.304 605 2HD2 ASN 78 2HD2 ASN 78 22.329 -6.730 0.353 606 H GLU 79 H GLU 79 21.555 -13.366 -0.881 607 HA GLU 79 HA GLU 79 22.815 -14.333 -3.240 608 1HB GLU 79 2HB GLU 79 21.350 -16.253 -3.020 609 2HB GLU 79 1HB GLU 79 21.990 -15.812 -1.443 610 1HG GLU 79 2HG GLU 79 19.868 -14.634 -0.961 611 2HG GLU 79 1HG GLU 79 19.236 -15.220 -2.500 612 H VAL 80 H VAL 80 19.749 -12.760 -2.570 613 HA VAL 80 HA VAL 80 19.316 -12.519 -5.465 614 HB VAL 80 HB VAL 80 17.826 -14.294 -4.626 615 1HG1 VAL 80 1HG1 VAL 80 16.124 -12.420 -3.123 616 2HG1 VAL 80 2HG1 VAL 80 17.643 -12.865 -2.346 617 3HG1 VAL 80 3HG1 VAL 80 16.495 -14.117 -2.817 618 1HG2 VAL 80 1HG2 VAL 80 15.626 -13.093 -5.304 619 2HG2 VAL 80 2HG2 VAL 80 16.926 -13.250 -6.485 620 3HG2 VAL 80 3HG2 VAL 80 16.682 -11.723 -5.638 621 H VAL 81 H VAL 81 18.514 -10.577 -6.152 622 HA VAL 81 HA VAL 81 17.830 -8.587 -4.098 623 HB VAL 81 HB VAL 81 20.135 -8.165 -4.772 624 1HG1 VAL 81 1HG1 VAL 81 20.903 -8.099 -6.901 625 2HG1 VAL 81 2HG1 VAL 81 19.398 -7.437 -7.541 626 3HG1 VAL 81 3HG1 VAL 81 19.519 -9.157 -7.174 627 1HG2 VAL 81 1HG2 VAL 81 19.857 -5.828 -5.597 628 2HG2 VAL 81 2HG2 VAL 81 18.840 -6.229 -4.214 629 3HG2 VAL 81 3HG2 VAL 81 18.143 -6.168 -5.833 630 HA PRO 82 HA PRO 82 14.593 -8.757 -7.432 631 1HB PRO 82 2HB PRO 82 12.485 -8.550 -5.727 632 2HB PRO 82 1HB PRO 82 13.231 -10.093 -6.155 633 1HG PRO 82 2HG PRO 82 13.638 -8.403 -3.717 634 2HG PRO 82 1HG PRO 82 13.452 -10.163 -3.841 635 1HD PRO 82 2HD PRO 82 15.865 -8.983 -3.543 636 2HD PRO 82 1HD PRO 82 15.648 -10.480 -4.473 637 H LYS 83 H LYS 83 14.087 -6.925 -8.443 638 HA LYS 83 HA LYS 83 14.406 -4.390 -7.142 639 1HB LYS 83 2HB LYS 83 13.181 -4.679 -9.859 640 2HB LYS 83 1HB LYS 83 14.246 -3.422 -9.248 641 1HG LYS 83 2HG LYS 83 15.795 -4.474 -10.472 642 2HG LYS 83 1HG LYS 83 15.874 -5.575 -9.094 643 1HD LYS 83 2HD LYS 83 14.907 -7.263 -10.230 644 2HD LYS 83 1HD LYS 83 13.769 -6.191 -11.050 645 1HE LYS 83 2HE LYS 83 15.766 -5.412 -12.434 646 2HE LYS 83 1HE LYS 83 16.615 -6.816 -11.786 647 1HZ LYS 83 1HZ LYS 83 13.982 -7.148 -13.064 648 2HZ LYS 83 2HZ LYS 83 15.237 -8.269 -12.895 649 3HZ LYS 83 3HZ LYS 83 15.371 -7.013 -14.019 650 HA PRO 84 HA PRO 84 9.665 -4.088 -7.771 651 1HB PRO 84 2HB PRO 84 8.260 -6.251 -8.515 652 2HB PRO 84 1HB PRO 84 9.075 -5.219 -9.697 653 1HG PRO 84 2HG PRO 84 9.932 -7.852 -8.569 654 2HG PRO 84 1HG PRO 84 10.031 -7.264 -10.238 655 1HD PRO 84 2HD PRO 84 12.137 -7.265 -8.481 656 2HD PRO 84 1HD PRO 84 11.992 -6.153 -9.854 657 H GLN 85 H GLN 85 8.363 -4.085 -6.023 658 HA GLN 85 HA GLN 85 8.550 -6.363 -4.163 659 1HB GLN 85 2HB GLN 85 8.373 -3.420 -3.494 660 2HB GLN 85 1HB GLN 85 8.262 -4.719 -2.316 661 1HG GLN 85 2HG GLN 85 10.525 -5.420 -2.847 662 2HG GLN 85 1HG GLN 85 10.640 -4.161 -4.075 663 1HE2 GLN 85 1HE2 GLN 85 12.447 -4.380 -1.991 664 2HE2 GLN 85 2HE2 GLN 85 12.272 -3.016 -0.946 665 H ARG 86 H ARG 86 6.678 -7.050 -3.187 666 HA ARG 86 HA ARG 86 4.194 -5.749 -4.098 667 1HB ARG 86 2HB ARG 86 4.738 -8.684 -3.624 668 2HB ARG 86 1HB ARG 86 3.150 -8.012 -3.965 669 1HG ARG 86 2HG ARG 86 4.013 -7.180 -6.129 670 2HG ARG 86 1HG ARG 86 5.546 -7.987 -5.787 671 1HD ARG 86 2HD ARG 86 4.267 -10.129 -5.570 672 2HD ARG 86 1HD ARG 86 2.841 -9.266 -6.148 673 HE ARG 86 HE ARG 86 4.965 -8.889 -7.956 674 1HH1 ARG 86 1HH1 ARG 86 2.760 -11.363 -6.865 675 2HH1 ARG 86 2HH1 ARG 86 2.787 -12.224 -8.366 676 1HH2 ARG 86 1HH2 ARG 86 5.000 -10.020 -9.933 677 2HH2 ARG 86 2HH2 ARG 86 4.058 -11.462 -10.108 678 H HIS 87 H HIS 87 2.688 -5.246 -2.608 679 HA HIS 87 HA HIS 87 3.184 -6.106 0.167 680 1HB HIS 87 2HB HIS 87 2.441 -3.427 -0.953 681 2HB HIS 87 1HB HIS 87 1.936 -3.858 0.676 682 HD1 HIS 87 HD1 HIS 87 3.558 -3.293 2.453 683 HD2 HIS 87 HD2 HIS 87 5.402 -3.713 -1.248 684 HE1 HIS 87 HE1 HIS 87 5.970 -2.691 2.833 685 HE2 HIS 87 HE2 HIS 87 7.048 -2.871 0.561 686 H MET 88 H MET 88 1.685 -7.567 0.674 687 HA MET 88 HA MET 88 -1.016 -7.305 -0.417 688 1HB MET 88 2HB MET 88 0.168 -9.488 -0.584 689 2HB MET 88 1HB MET 88 0.191 -9.577 1.173 690 1HG MET 88 2HG MET 88 -2.279 -9.529 1.166 691 2HG MET 88 1HG MET 88 -2.243 -9.560 -0.597 692 1HE MET 88 1HE MET 88 -0.829 -12.973 2.154 693 2HE MET 88 2HE MET 88 -1.966 -11.737 2.691 694 3HE MET 88 3HE MET 88 -0.310 -11.291 2.280 695 H PHE 89 H PHE 89 -2.590 -6.438 0.750 696 HA PHE 89 HA PHE 89 -2.258 -6.302 3.673 697 1HB PHE 89 2HB PHE 89 -3.645 -4.437 1.749 698 2HB PHE 89 1HB PHE 89 -3.870 -4.347 3.494 699 HD1 PHE 89 HD1 PHE 89 -1.900 -3.867 4.950 700 HD2 PHE 89 HD2 PHE 89 -1.754 -3.509 0.713 701 HE1 PHE 89 HE1 PHE 89 0.113 -2.460 5.140 702 HE2 PHE 89 HE2 PHE 89 0.258 -2.105 0.895 703 HZ PHE 89 HZ PHE 89 1.194 -1.578 3.111 704 H SER 90 H SER 90 -4.167 -6.458 4.980 705 HA SER 90 HA SER 90 -6.376 -7.924 3.697 706 1HB SER 90 2HB SER 90 -5.976 -8.627 6.498 707 2HB SER 90 1HB SER 90 -6.147 -9.676 5.093 708 HG SER 90 HG SER 90 -4.073 -9.771 6.213 709 H PHE 91 H PHE 91 -8.191 -6.785 3.849 710 HA PHE 91 HA PHE 91 -8.464 -4.824 5.993 711 1HB PHE 91 2HB PHE 91 -9.716 -5.186 3.303 712 2HB PHE 91 1HB PHE 91 -10.564 -4.246 4.527 713 HD1 PHE 91 HD1 PHE 91 -9.772 -2.112 5.224 714 HD2 PHE 91 HD2 PHE 91 -7.576 -4.437 2.419 715 HE1 PHE 91 HE1 PHE 91 -8.398 -0.140 4.671 716 HE2 PHE 91 HE2 PHE 91 -6.198 -2.478 1.858 717 HZ PHE 91 HZ PHE 91 -6.608 -0.323 2.986 718 H ASN 92 H ASN 92 -9.886 -4.976 7.588 719 HA ASN 92 HA ASN 92 -11.541 -7.379 7.726 720 1HB ASN 92 2HB ASN 92 -10.835 -5.315 9.825 721 2HB ASN 92 1HB ASN 92 -11.848 -6.727 10.112 722 1HD2 ASN 92 1HD2 ASN 92 -9.576 -6.280 11.576 723 2HD2 ASN 92 2HD2 ASN 92 -8.391 -7.474 11.183 724 H ASN 93 H ASN 93 -11.970 -4.545 6.330 725 HA ASN 93 HA ASN 93 -14.815 -4.559 6.821 726 1HB ASN 93 2HB ASN 93 -13.029 -2.448 7.797 727 2HB ASN 93 1HB ASN 93 -14.393 -1.854 6.855 728 1HD2 ASN 93 1HD2 ASN 93 -15.139 -0.869 8.797 729 2HD2 ASN 93 2HD2 ASN 93 -15.985 -1.802 9.981 730 H ARG 94 H ARG 94 -15.890 -4.349 4.982 731 HA ARG 94 HA ARG 94 -14.573 -4.023 2.519 732 1HB ARG 94 2HB ARG 94 -16.702 -5.254 2.795 733 2HB ARG 94 1HB ARG 94 -17.522 -3.734 3.120 734 1HG ARG 94 2HG ARG 94 -16.864 -2.956 0.857 735 2HG ARG 94 1HG ARG 94 -16.200 -4.562 0.547 736 1HD ARG 94 2HD ARG 94 -19.070 -3.934 1.232 737 2HD ARG 94 1HD ARG 94 -18.454 -4.331 -0.372 738 HE ARG 94 HE ARG 94 -17.780 -6.385 1.430 739 1HH1 ARG 94 1HH1 ARG 94 -20.546 -5.037 -0.212 740 2HH1 ARG 94 2HH1 ARG 94 -21.419 -6.532 -0.235 741 1HH2 ARG 94 1HH2 ARG 94 -18.925 -8.353 1.401 742 2HH2 ARG 94 2HH2 ARG 94 -20.499 -8.415 0.681 743 H THR 95 H THR 95 -16.653 -1.808 4.372 744 HA THR 95 HA THR 95 -16.529 0.316 2.565 745 HB THR 95 HB THR 95 -16.789 0.892 5.447 746 HG1 THR 95 HG1 THR 95 -18.476 -0.361 5.794 747 1HG2 THR 95 1HG2 THR 95 -18.752 2.075 4.787 748 2HG2 THR 95 2HG2 THR 95 -18.685 1.358 3.178 749 3HG2 THR 95 3HG2 THR 95 -17.440 2.497 3.687 750 H VAL 96 H VAL 96 -14.491 -0.701 5.198 751 HA VAL 96 HA VAL 96 -12.927 1.657 5.329 752 HB VAL 96 HB VAL 96 -12.289 -1.137 6.273 753 1HG1 VAL 96 1HG1 VAL 96 -10.212 0.003 6.018 754 2HG1 VAL 96 2HG1 VAL 96 -10.615 0.035 7.735 755 3HG1 VAL 96 3HG1 VAL 96 -10.862 1.474 6.746 756 1HG2 VAL 96 1HG2 VAL 96 -14.269 0.205 7.252 757 2HG2 VAL 96 2HG2 VAL 96 -13.018 1.188 8.014 758 3HG2 VAL 96 3HG2 VAL 96 -13.115 -0.538 8.359 759 H MET 97 H MET 97 -12.660 -1.360 3.573 760 HA MET 97 HA MET 97 -10.045 -0.788 2.551 761 1HB MET 97 2HB MET 97 -10.287 -2.743 1.202 762 2HB MET 97 1HB MET 97 -10.988 -3.096 2.773 763 1HG MET 97 2HG MET 97 -13.151 -3.079 1.955 764 2HG MET 97 1HG MET 97 -12.710 -2.169 0.514 765 1HE MET 97 1HE MET 97 -14.375 -5.495 0.132 766 2HE MET 97 2HE MET 97 -13.830 -4.891 -1.432 767 3HE MET 97 3HE MET 97 -14.440 -3.768 -0.217 768 H ASP 98 H ASP 98 -13.326 -0.205 1.483 769 HA ASP 98 HA ASP 98 -12.561 0.624 -1.143 770 1HB ASP 98 2HB ASP 98 -14.803 -0.330 -0.629 771 2HB ASP 98 1HB ASP 98 -15.165 1.117 0.309 772 H ASN 99 H ASN 99 -12.958 2.124 1.944 773 HA ASN 99 HA ASN 99 -13.142 4.799 1.007 774 1HB ASN 99 2HB ASN 99 -12.481 3.601 3.688 775 2HB ASN 99 1HB ASN 99 -12.459 5.342 3.416 776 1HD2 ASN 99 1HD2 ASN 99 -14.122 4.217 5.276 777 2HD2 ASN 99 2HD2 ASN 99 -15.762 4.367 4.753 778 H ILE 100 H ILE 100 -10.548 2.660 1.869 779 HA ILE 100 HA ILE 100 -8.525 4.725 1.649 780 HB ILE 100 HB ILE 100 -8.203 1.741 2.004 781 1HG1 ILE 100 2HG1 ILE 100 -9.414 2.933 3.855 782 2HG1 ILE 100 1HG1 ILE 100 -7.908 2.165 4.347 783 1HG2 ILE 100 1HG2 ILE 100 -5.921 2.311 2.743 784 2HG2 ILE 100 2HG2 ILE 100 -6.216 3.989 2.289 785 3HG2 ILE 100 3HG2 ILE 100 -6.215 2.728 1.055 786 1HD1 ILE 100 1HD1 ILE 100 -8.458 4.541 5.184 787 2HD1 ILE 100 2HD1 ILE 100 -7.944 5.048 3.576 788 3HD1 ILE 100 3HD1 ILE 100 -6.823 4.182 4.628 789 H LYS 101 H LYS 101 -9.522 1.817 -0.124 790 HA LYS 101 HA LYS 101 -7.563 1.897 -2.115 791 1HB LYS 101 2HB LYS 101 -9.061 -0.024 -1.733 792 2HB LYS 101 1HB LYS 101 -10.417 0.918 -2.338 793 1HG LYS 101 2HG LYS 101 -8.694 1.132 -4.412 794 2HG LYS 101 1HG LYS 101 -8.275 -0.466 -3.792 795 1HD LYS 101 2HD LYS 101 -11.034 0.473 -4.576 796 2HD LYS 101 1HD LYS 101 -10.007 -0.627 -5.498 797 1HE LYS 101 2HE LYS 101 -10.024 -1.971 -3.219 798 2HE LYS 101 1HE LYS 101 -11.539 -1.098 -2.993 799 1HZ LYS 101 1HZ LYS 101 -11.744 -3.318 -4.082 800 2HZ LYS 101 2HZ LYS 101 -10.923 -2.688 -5.420 801 3HZ LYS 101 3HZ LYS 101 -12.417 -2.040 -4.965 802 H MET 102 H MET 102 -10.755 3.426 -1.968 803 HA MET 102 HA MET 102 -10.673 4.512 -4.571 804 1HB MET 102 2HB MET 102 -12.235 5.342 -2.127 805 2HB MET 102 1HB MET 102 -12.481 6.036 -3.724 806 1HG MET 102 2HG MET 102 -12.615 3.087 -3.477 807 2HG MET 102 1HG MET 102 -13.941 4.030 -2.798 808 1HE MET 102 1HE MET 102 -14.665 6.420 -5.482 809 2HE MET 102 2HE MET 102 -14.998 5.826 -3.855 810 3HE MET 102 3HE MET 102 -15.981 5.277 -5.213 811 H THR 103 H THR 103 -9.582 5.680 -1.470 812 HA THR 103 HA THR 103 -8.948 8.290 -2.449 813 HB THR 103 HB THR 103 -8.910 6.898 0.118 814 HG1 THR 103 HG1 THR 103 -9.042 9.639 -0.587 815 1HG2 THR 103 1HG2 THR 103 -6.499 7.233 -0.014 816 2HG2 THR 103 2HG2 THR 103 -7.236 8.265 1.211 817 3HG2 THR 103 3HG2 THR 103 -6.754 8.945 -0.344 818 H LEU 104 H LEU 104 -7.228 5.284 -1.870 819 HA LEU 104 HA LEU 104 -4.652 6.357 -2.446 820 1HB LEU 104 2HB LEU 104 -3.870 4.325 -1.882 821 2HB LEU 104 1HB LEU 104 -5.497 4.060 -1.289 822 HG LEU 104 HG LEU 104 -5.966 3.094 -3.646 823 1HD1 LEU 104 1HD1 LEU 104 -3.037 3.481 -3.674 824 2HD1 LEU 104 2HD1 LEU 104 -4.192 3.448 -5.007 825 3HD1 LEU 104 3HD1 LEU 104 -3.636 1.938 -4.284 826 1HD2 LEU 104 1HD2 LEU 104 -4.088 1.488 -1.942 827 2HD2 LEU 104 2HD2 LEU 104 -5.491 0.941 -2.861 828 3HD2 LEU 104 3HD2 LEU 104 -5.714 1.900 -1.397 829 H GLN 105 H GLN 105 -7.278 5.039 -4.322 830 HA GLN 105 HA GLN 105 -5.846 4.522 -6.698 831 1HB GLN 105 2HB GLN 105 -8.715 4.915 -5.995 832 2HB GLN 105 1HB GLN 105 -8.259 5.010 -7.689 833 1HG GLN 105 2HG GLN 105 -7.302 2.775 -7.569 834 2HG GLN 105 1HG GLN 105 -7.730 2.678 -5.862 835 1HE2 GLN 105 1HE2 GLN 105 -8.542 1.073 -8.220 836 2HE2 GLN 105 2HE2 GLN 105 -10.270 1.095 -8.210 837 H GLN 106 H GLN 106 -7.338 7.387 -5.375 838 HA GLN 106 HA GLN 106 -7.152 8.977 -7.708 839 1HB GLN 106 2HB GLN 106 -7.253 9.761 -4.789 840 2HB GLN 106 1HB GLN 106 -7.364 10.905 -6.119 841 1HG GLN 106 2HG GLN 106 -9.403 9.843 -6.892 842 2HG GLN 106 1HG GLN 106 -9.281 8.642 -5.608 843 1HE2 GLN 106 1HE2 GLN 106 -11.527 10.207 -5.931 844 2HE2 GLN 106 2HE2 GLN 106 -11.662 11.295 -4.597 845 H ILE 107 H ILE 107 -4.977 8.367 -5.010 846 HA ILE 107 HA ILE 107 -3.026 10.288 -5.601 847 HB ILE 107 HB ILE 107 -2.694 7.556 -4.351 848 1HG1 ILE 107 2HG1 ILE 107 -2.794 10.237 -2.971 849 2HG1 ILE 107 1HG1 ILE 107 -4.240 9.274 -3.256 850 1HG2 ILE 107 1HG2 ILE 107 -0.507 7.896 -4.324 851 2HG2 ILE 107 2HG2 ILE 107 -0.741 9.411 -3.454 852 3HG2 ILE 107 3HG2 ILE 107 -0.724 9.399 -5.217 853 1HD1 ILE 107 1HD1 ILE 107 -2.101 8.932 -1.289 854 2HD1 ILE 107 2HD1 ILE 107 -2.624 7.446 -2.085 855 3HD1 ILE 107 3HD1 ILE 107 -3.796 8.447 -1.229 856 H ILE 108 H ILE 108 -3.456 6.963 -6.704 857 HA ILE 108 HA ILE 108 -1.160 6.584 -8.207 858 HB ILE 108 HB ILE 108 -3.855 5.709 -9.199 859 1HG1 ILE 108 2HG1 ILE 108 -4.035 5.105 -6.947 860 2HG1 ILE 108 1HG1 ILE 108 -3.453 3.644 -7.736 861 1HG2 ILE 108 1HG2 ILE 108 -2.278 5.029 -10.711 862 2HG2 ILE 108 2HG2 ILE 108 -2.392 3.617 -9.660 863 3HG2 ILE 108 3HG2 ILE 108 -1.050 4.747 -9.477 864 1HD1 ILE 108 1HD1 ILE 108 -1.178 5.078 -6.926 865 2HD1 ILE 108 2HD1 ILE 108 -1.805 3.568 -6.268 866 3HD1 ILE 108 3HD1 ILE 108 -2.311 5.108 -5.575 867 H SER 109 H SER 109 -4.254 7.844 -9.219 868 HA SER 109 HA SER 109 -3.639 8.474 -11.858 869 1HB SER 109 2HB SER 109 -5.933 8.487 -10.884 870 2HB SER 109 1HB SER 109 -5.538 9.998 -10.064 871 HG SER 109 HG SER 109 -5.706 9.518 -12.850 872 H ARG 110 H ARG 110 -2.791 10.104 -8.938 873 HA ARG 110 HA ARG 110 -2.158 12.605 -10.132 874 1HB ARG 110 2HB ARG 110 -2.220 13.200 -7.981 875 2HB ARG 110 1HB ARG 110 -2.266 11.513 -7.493 876 1HG ARG 110 2HG ARG 110 0.173 11.435 -7.509 877 2HG ARG 110 1HG ARG 110 0.225 13.125 -8.017 878 1HD ARG 110 2HD ARG 110 -0.994 13.730 -5.940 879 2HD ARG 110 1HD ARG 110 -0.880 12.046 -5.428 880 HE ARG 110 HE ARG 110 1.278 12.434 -4.805 881 1HH1 ARG 110 1HH1 ARG 110 0.305 14.945 -7.025 882 2HH1 ARG 110 2HH1 ARG 110 1.763 15.857 -6.828 883 1HH2 ARG 110 1HH2 ARG 110 3.196 13.634 -4.543 884 2HH2 ARG 110 2HH2 ARG 110 3.404 15.114 -5.419 885 H TYR 111 H TYR 111 -0.416 9.673 -9.443 886 HA TYR 111 HA TYR 111 2.168 10.744 -10.033 887 1HB TYR 111 2HB TYR 111 1.094 7.960 -9.663 888 2HB TYR 111 1HB TYR 111 2.745 8.227 -10.216 889 HD1 TYR 111 HD1 TYR 111 0.580 8.036 -7.381 890 HD2 TYR 111 HD2 TYR 111 4.275 9.648 -8.739 891 HE1 TYR 111 HE1 TYR 111 1.310 8.312 -5.049 892 HE2 TYR 111 HE2 TYR 111 5.016 9.928 -6.411 893 HH TYR 111 HH TYR 111 4.236 8.595 -4.057 894 H LYS 112 H LYS 112 -0.370 9.228 -11.839 895 HA LYS 112 HA LYS 112 1.177 8.721 -14.179 896 1HB LYS 112 2HB LYS 112 -1.796 8.784 -13.673 897 2HB LYS 112 1HB LYS 112 -1.097 8.395 -15.239 898 1HG LYS 112 2HG LYS 112 -0.645 6.308 -14.627 899 2HG LYS 112 1HG LYS 112 0.080 6.827 -13.105 900 1HD LYS 112 2HD LYS 112 -1.808 5.442 -12.601 901 2HD LYS 112 1HD LYS 112 -2.223 7.106 -12.187 902 1HE LYS 112 2HE LYS 112 -3.073 7.006 -14.749 903 2HE LYS 112 1HE LYS 112 -3.329 5.331 -14.261 904 1HZ LYS 112 1HZ LYS 112 -4.366 6.609 -12.177 905 2HZ LYS 112 2HZ LYS 112 -5.273 6.162 -13.533 906 3HZ LYS 112 3HZ LYS 112 -4.689 7.744 -13.390 907 H ASP 113 H ASP 113 -0.853 11.337 -13.022 908 HA ASP 113 HA ASP 113 -1.152 12.759 -15.415 909 1HB ASP 113 2HB ASP 113 -1.032 13.735 -12.556 910 2HB ASP 113 1HB ASP 113 -1.489 14.750 -13.920 911 H ALA 114 H ALA 114 1.440 12.755 -13.024 912 HA ALA 114 HA ALA 114 2.884 14.953 -14.000 913 1HB ALA 114 1HB ALA 114 4.264 12.596 -12.786 914 2HB ALA 114 2HB ALA 114 3.164 13.575 -11.815 915 3HB ALA 114 3HB ALA 114 4.578 14.318 -12.563 916 H ASP 115 H ASP 115 2.779 11.594 -14.993 917 HA ASP 115 HA ASP 115 4.515 12.277 -17.267 918 1HB ASP 115 2HB ASP 115 5.771 10.920 -15.609 919 2HB ASP 115 1HB ASP 115 4.560 9.651 -15.764 Start of MODEL 19 1 HT1 PRO 1 HT2 PRO 1 -14.308 10.340 8.135 2 HT2 PRO 1 HT1 PRO 1 -14.603 9.905 6.513 3 HA PRO 1 HA PRO 1 -12.569 9.117 8.195 4 1HB PRO 1 2HB PRO 1 -13.761 6.642 7.145 5 2HB PRO 1 1HB PRO 1 -13.020 6.961 8.719 6 1HG PRO 1 2HG PRO 1 -15.702 6.691 8.396 7 2HG PRO 1 1HG PRO 1 -14.981 7.725 9.641 8 1HD PRO 1 2HD PRO 1 -16.256 8.484 7.046 9 2HD PRO 1 1HD PRO 1 -16.266 9.339 8.600 10 H SER 2 H SER 2 -11.620 10.299 6.440 11 HA SER 2 HA SER 2 -11.325 8.682 3.995 12 1HB SER 2 2HB SER 2 -12.696 10.686 3.542 13 2HB SER 2 1HB SER 2 -11.392 11.706 4.149 14 HG SER 2 HG SER 2 -11.334 10.009 1.876 15 H HIS 3 H HIS 3 -9.283 8.634 3.046 16 HA HIS 3 HA HIS 3 -7.010 8.593 3.003 17 1HB HIS 3 2HB HIS 3 -7.468 11.224 4.400 18 2HB HIS 3 1HB HIS 3 -5.853 10.637 4.016 19 HD1 HIS 3 HD1 HIS 3 -8.782 12.306 2.544 20 HD2 HIS 3 HD2 HIS 3 -5.324 10.439 1.196 21 HE1 HIS 3 HE1 HIS 3 -8.539 12.998 0.138 22 HE2 HIS 3 HE2 HIS 3 -6.390 11.929 -0.629 23 H SER 4 H SER 4 -8.486 7.339 5.226 24 HA SER 4 HA SER 4 -6.316 6.430 6.742 25 1HB SER 4 2HB SER 4 -6.849 7.399 8.949 26 2HB SER 4 1HB SER 4 -6.374 8.642 7.792 27 HG SER 4 HG SER 4 -8.242 9.531 8.094 28 H GLY 5 H GLY 5 -6.878 4.430 7.222 29 1HA GLY 5 2HA GLY 5 -9.393 3.830 8.496 30 2HA GLY 5 1HA GLY 5 -9.274 3.215 6.854 31 H ALA 6 H ALA 6 -9.513 1.686 9.308 32 HA ALA 6 HA ALA 6 -7.026 0.617 10.080 33 1HB ALA 6 1HB ALA 6 -8.979 0.355 11.480 34 2HB ALA 6 2HB ALA 6 -8.321 -1.225 11.051 35 3HB ALA 6 3HB ALA 6 -9.765 -0.622 10.239 36 H ALA 7 H ALA 7 -5.862 -1.098 9.379 37 HA ALA 7 HA ALA 7 -6.871 -2.872 7.352 38 1HB ALA 7 1HB ALA 7 -6.197 -0.947 6.007 39 2HB ALA 7 2HB ALA 7 -5.181 -2.349 5.676 40 3HB ALA 7 3HB ALA 7 -4.574 -1.040 6.690 41 H ILE 8 H ILE 8 -5.638 -4.758 7.080 42 HA ILE 8 HA ILE 8 -3.695 -5.226 9.217 43 HB ILE 8 HB ILE 8 -4.889 -7.233 7.315 44 1HG1 ILE 8 2HG1 ILE 8 -5.785 -6.744 10.145 45 2HG1 ILE 8 1HG1 ILE 8 -6.559 -5.974 8.760 46 1HG2 ILE 8 1HG2 ILE 8 -2.722 -7.670 8.708 47 2HG2 ILE 8 2HG2 ILE 8 -3.980 -8.899 8.608 48 3HG2 ILE 8 3HG2 ILE 8 -3.861 -7.875 10.038 49 1HD1 ILE 8 1HD1 ILE 8 -7.496 -8.196 9.716 50 2HD1 ILE 8 2HD1 ILE 8 -6.185 -8.920 8.777 51 3HD1 ILE 8 3HD1 ILE 8 -7.413 -7.937 7.972 52 H PHE 9 H PHE 9 -1.645 -5.927 8.870 53 HA PHE 9 HA PHE 9 -0.721 -6.397 6.153 54 1HB PHE 9 2HB PHE 9 -0.395 -3.990 6.445 55 2HB PHE 9 1HB PHE 9 0.501 -4.278 7.929 56 HD1 PHE 9 HD1 PHE 9 2.747 -3.949 7.713 57 HD2 PHE 9 HD2 PHE 9 0.598 -5.623 4.450 58 HE1 PHE 9 HE1 PHE 9 4.839 -4.104 6.424 59 HE2 PHE 9 HE2 PHE 9 2.682 -5.785 3.151 60 HZ PHE 9 HZ PHE 9 4.808 -5.025 4.139 61 H GLU 10 H GLU 10 0.033 -8.383 6.415 62 HA GLU 10 HA GLU 10 1.497 -10.027 6.987 63 1HB GLU 10 2HB GLU 10 2.617 -8.177 9.087 64 2HB GLU 10 1HB GLU 10 3.371 -9.616 8.421 65 1HG GLU 10 2HG GLU 10 3.470 -8.493 6.220 66 2HG GLU 10 1HG GLU 10 2.832 -7.033 6.977 67 H LYS 11 H LYS 11 -1.022 -10.178 7.900 68 HA LYS 11 HA LYS 11 -2.346 -11.238 9.374 69 1HB LYS 11 2HB LYS 11 0.369 -12.214 10.052 70 2HB LYS 11 1HB LYS 11 -0.968 -12.653 11.111 71 1HG LYS 11 2HG LYS 11 -1.242 -13.039 8.173 72 2HG LYS 11 1HG LYS 11 -0.277 -14.187 9.108 73 1HD LYS 11 2HD LYS 11 -2.247 -14.469 10.629 74 2HD LYS 11 1HD LYS 11 -3.184 -13.489 9.500 75 1HE LYS 11 2HE LYS 11 -1.692 -15.773 8.359 76 2HE LYS 11 1HE LYS 11 -3.071 -16.166 9.384 77 1HZ LYS 11 1HZ LYS 11 -3.790 -15.994 7.120 78 2HZ LYS 11 2HZ LYS 11 -3.100 -14.459 6.955 79 3HZ LYS 11 3HZ LYS 11 -4.428 -14.684 7.979 80 H VAL 12 H VAL 12 -0.947 -8.529 10.105 81 HA VAL 12 HA VAL 12 -1.899 -8.550 12.862 82 HB VAL 12 HB VAL 12 0.437 -6.972 11.782 83 1HG1 VAL 12 1HG1 VAL 12 -0.710 -6.970 14.570 84 2HG1 VAL 12 2HG1 VAL 12 -0.925 -5.681 13.386 85 3HG1 VAL 12 3HG1 VAL 12 0.684 -6.050 14.006 86 1HG2 VAL 12 1HG2 VAL 12 0.191 -9.451 13.367 87 2HG2 VAL 12 2HG2 VAL 12 1.428 -8.305 13.880 88 3HG2 VAL 12 3HG2 VAL 12 1.447 -8.945 12.237 89 H SER 13 H SER 13 -3.257 -6.867 13.417 90 HA SER 13 HA SER 13 -4.116 -5.215 11.150 91 1HB SER 13 2HB SER 13 -5.623 -5.571 13.739 92 2HB SER 13 1HB SER 13 -6.246 -5.060 12.170 93 HG SER 13 HG SER 13 -6.797 -7.184 12.408 94 H GLY 14 H GLY 14 -4.418 -3.046 11.291 95 1HA GLY 14 2HA GLY 14 -3.922 -1.544 13.676 96 2HA GLY 14 1HA GLY 14 -2.561 -1.491 12.558 97 H ILE 15 H ILE 15 -3.481 0.891 12.933 98 HA ILE 15 HA ILE 15 -5.625 1.445 11.042 99 HB ILE 15 HB ILE 15 -4.175 3.232 12.986 100 1HG1 ILE 15 2HG1 ILE 15 -6.373 1.444 13.207 101 2HG1 ILE 15 1HG1 ILE 15 -5.736 2.536 14.433 102 1HG2 ILE 15 1HG2 ILE 15 -4.717 4.581 11.077 103 2HG2 ILE 15 2HG2 ILE 15 -5.873 4.946 12.358 104 3HG2 ILE 15 3HG2 ILE 15 -6.349 3.915 11.010 105 1HD1 ILE 15 1HD1 ILE 15 -7.931 3.088 12.456 106 2HD1 ILE 15 2HD1 ILE 15 -7.216 4.315 13.505 107 3HD1 ILE 15 3HD1 ILE 15 -8.069 2.939 14.207 108 H ILE 16 H ILE 16 -5.312 2.100 9.062 109 HA ILE 16 HA ILE 16 -2.602 2.764 8.186 110 HB ILE 16 HB ILE 16 -4.837 1.278 7.068 111 1HG1 ILE 16 2HG1 ILE 16 -1.908 1.573 6.406 112 2HG1 ILE 16 1HG1 ILE 16 -2.690 0.290 7.319 113 1HG2 ILE 16 1HG2 ILE 16 -3.632 3.431 5.337 114 2HG2 ILE 16 2HG2 ILE 16 -5.334 3.166 5.705 115 3HG2 ILE 16 3HG2 ILE 16 -4.462 2.016 4.695 116 1HD1 ILE 16 1HD1 ILE 16 -2.175 0.443 4.528 117 2HD1 ILE 16 2HD1 ILE 16 -3.917 0.346 4.789 118 3HD1 ILE 16 3HD1 ILE 16 -2.852 -0.890 5.463 119 H ALA 17 H ALA 17 -2.100 4.799 7.754 120 HA ALA 17 HA ALA 17 -4.262 6.681 7.060 121 1HB ALA 17 1HB ALA 17 -3.433 7.196 9.267 122 2HB ALA 17 2HB ALA 17 -2.912 8.448 8.139 123 3HB ALA 17 3HB ALA 17 -1.772 7.215 8.676 124 H ILE 18 H ILE 18 -3.899 8.111 5.393 125 HA ILE 18 HA ILE 18 -1.548 7.522 3.743 126 HB ILE 18 HB ILE 18 -4.358 8.175 3.159 127 1HG1 ILE 18 2HG1 ILE 18 -2.318 6.910 1.345 128 2HG1 ILE 18 1HG1 ILE 18 -3.013 6.027 2.700 129 1HG2 ILE 18 1HG2 ILE 18 -3.559 10.218 2.311 130 2HG2 ILE 18 2HG2 ILE 18 -3.730 9.155 0.914 131 3HG2 ILE 18 3HG2 ILE 18 -2.134 9.459 1.601 132 1HD1 ILE 18 1HD1 ILE 18 -4.271 6.918 0.166 133 2HD1 ILE 18 2HD1 ILE 18 -5.273 6.810 1.613 134 3HD1 ILE 18 3HD1 ILE 18 -4.414 5.386 1.028 135 H ASN 19 H ASN 19 0.059 8.931 3.881 136 HA ASN 19 HA ASN 19 -0.520 11.705 4.631 137 1HB ASN 19 2HB ASN 19 2.068 10.142 4.610 138 2HB ASN 19 1HB ASN 19 1.945 11.848 5.030 139 1HD2 ASN 19 1HD2 ASN 19 3.002 10.057 6.791 140 2HD2 ASN 19 2HD2 ASN 19 1.931 9.850 8.132 141 H GLU 20 H GLU 20 -0.863 12.993 2.955 142 HA GLU 20 HA GLU 20 0.774 12.631 0.538 143 1HB GLU 20 2HB GLU 20 -1.893 14.018 0.864 144 2HB GLU 20 1HB GLU 20 -0.994 13.889 -0.642 145 1HG GLU 20 2HG GLU 20 -1.192 11.439 -0.518 146 2HG GLU 20 1HG GLU 20 -2.159 11.613 0.947 147 H ASP 21 H ASP 21 0.483 14.537 3.257 148 HA ASP 21 HA ASP 21 0.865 17.132 2.301 149 1HB ASP 21 2HB ASP 21 1.771 15.829 4.870 150 2HB ASP 21 1HB ASP 21 1.895 17.557 4.556 151 H VAL 22 H VAL 22 2.995 14.443 2.322 152 HA VAL 22 HA VAL 22 5.322 16.149 1.987 153 HB VAL 22 HB VAL 22 5.204 13.979 3.451 154 1HG1 VAL 22 1HG1 VAL 22 5.465 11.953 2.491 155 2HG1 VAL 22 2HG1 VAL 22 6.345 12.600 1.106 156 3HG1 VAL 22 3HG1 VAL 22 4.589 12.744 1.181 157 1HG2 VAL 22 1HG2 VAL 22 7.249 15.487 2.334 158 2HG2 VAL 22 2HG2 VAL 22 7.718 13.809 2.060 159 3HG2 VAL 22 3HG2 VAL 22 7.371 14.372 3.695 160 H SER 23 H SER 23 6.836 14.404 0.378 161 HA SER 23 HA SER 23 5.461 13.788 -2.037 162 1HB SER 23 2HB SER 23 6.148 15.515 -3.461 163 2HB SER 23 1HB SER 23 5.658 16.365 -1.997 164 HG SER 23 HG SER 23 7.690 16.874 -1.588 165 HA PRO 24 HA PRO 24 5.559 12.329 -3.352 166 1HB PRO 24 2HB PRO 24 5.847 9.643 -3.322 167 2HB PRO 24 1HB PRO 24 6.566 10.658 -4.577 168 1HG PRO 24 2HG PRO 24 7.837 9.477 -2.137 169 2HG PRO 24 1HG PRO 24 8.464 9.565 -3.794 170 1HD PRO 24 2HD PRO 24 9.225 11.288 -1.841 171 2HD PRO 24 1HD PRO 24 9.150 11.747 -3.554 172 H ALA 25 H ALA 25 3.653 11.504 -2.473 173 HA ALA 25 HA ALA 25 3.285 11.670 0.276 174 1HB ALA 25 1HB ALA 25 1.435 11.885 -1.258 175 2HB ALA 25 2HB ALA 25 1.101 10.570 -0.130 176 3HB ALA 25 3HB ALA 25 1.620 10.209 -1.777 177 H GLU 26 H GLU 26 2.304 9.777 1.609 178 HA GLU 26 HA GLU 26 3.572 7.212 1.068 179 1HB GLU 26 2HB GLU 26 4.157 8.819 3.559 180 2HB GLU 26 1HB GLU 26 4.595 7.132 3.332 181 1HG GLU 26 2HG GLU 26 5.985 7.780 1.406 182 2HG GLU 26 1HG GLU 26 5.592 9.469 1.722 183 H LEU 27 H LEU 27 2.880 5.518 2.565 184 HA LEU 27 HA LEU 27 0.242 6.088 3.751 185 1HB LEU 27 2HB LEU 27 -0.157 4.759 1.838 186 2HB LEU 27 1HB LEU 27 1.211 3.717 2.176 187 HG LEU 27 HG LEU 27 0.041 2.728 4.065 188 1HD1 LEU 27 1HD1 LEU 27 -2.590 3.785 3.579 189 2HD1 LEU 27 2HD1 LEU 27 -1.467 5.079 4.002 190 3HD1 LEU 27 3HD1 LEU 27 -1.672 3.700 5.083 191 1HD2 LEU 27 1HD2 LEU 27 -2.027 1.889 2.701 192 2HD2 LEU 27 2HD2 LEU 27 -0.391 1.471 2.191 193 3HD2 LEU 27 3HD2 LEU 27 -1.262 2.775 1.382 194 H THR 28 H THR 28 0.461 6.064 5.914 195 HA THR 28 HA THR 28 2.465 4.432 7.174 196 HB THR 28 HB THR 28 0.649 5.961 8.856 197 HG1 THR 28 HG1 THR 28 2.066 7.279 6.797 198 1HG2 THR 28 1HG2 THR 28 2.675 6.950 9.689 199 2HG2 THR 28 2HG2 THR 28 3.584 6.242 8.354 200 3HG2 THR 28 3HG2 THR 28 2.860 5.200 9.578 201 H TRP 29 H TRP 29 2.055 2.865 8.707 202 HA TRP 29 HA TRP 29 -0.709 1.998 9.095 203 1HB TRP 29 2HB TRP 29 0.253 0.553 7.364 204 2HB TRP 29 1HB TRP 29 1.622 0.191 8.414 205 HD1 TRP 29 HD1 TRP 29 -2.195 0.073 9.037 206 HE1 TRP 29 HE1 TRP 29 -2.775 -2.232 10.047 207 HE3 TRP 29 HE3 TRP 29 2.476 -1.999 9.059 208 HZ2 TRP 29 HZ2 TRP 29 -1.423 -4.584 10.755 209 HZ3 TRP 29 HZ3 TRP 29 2.744 -4.290 9.928 210 HH2 TRP 29 HH2 TRP 29 0.822 -5.560 10.755 211 H ARG 30 H ARG 30 -1.027 2.256 11.215 212 HA ARG 30 HA ARG 30 1.182 1.596 13.044 213 1HB ARG 30 2HB ARG 30 -1.295 3.289 13.379 214 2HB ARG 30 1HB ARG 30 -0.325 2.773 14.752 215 1HG ARG 30 2HG ARG 30 1.616 3.918 13.825 216 2HG ARG 30 1HG ARG 30 0.657 4.424 12.432 217 1HD ARG 30 2HD ARG 30 0.218 5.197 15.314 218 2HD ARG 30 1HD ARG 30 0.800 6.240 14.017 219 HE ARG 30 HE ARG 30 -1.600 5.399 13.099 220 1HH1 ARG 30 1HH1 ARG 30 -0.573 6.868 16.093 221 2HH1 ARG 30 2HH1 ARG 30 -2.087 7.660 16.368 222 1HH2 ARG 30 1HH2 ARG 30 -3.592 6.440 13.460 223 2HH2 ARG 30 2HH2 ARG 30 -3.801 7.417 14.874 224 H SER 31 H SER 31 1.069 -0.227 14.241 225 HA SER 31 HA SER 31 -0.960 -2.110 13.867 226 1HB SER 31 2HB SER 31 1.085 -3.017 14.541 227 2HB SER 31 1HB SER 31 1.286 -1.848 15.846 228 HG SER 31 HG SER 31 -0.009 -4.260 15.836 229 H THR 32 H THR 32 -2.381 -3.027 15.517 230 HA THR 32 HA THR 32 -4.117 -1.145 16.608 231 HB THR 32 HB THR 32 -3.715 -4.073 16.702 232 HG1 THR 32 HG1 THR 32 -5.972 -2.418 16.233 233 1HG2 THR 32 1HG2 THR 32 -5.472 -2.669 18.676 234 2HG2 THR 32 2HG2 THR 32 -4.152 -3.790 19.000 235 3HG2 THR 32 3HG2 THR 32 -5.630 -4.367 18.233 236 H ASP 33 H ASP 33 -1.369 -2.825 17.867 237 HA ASP 33 HA ASP 33 -1.798 -2.208 20.608 238 1HB ASP 33 2HB ASP 33 -0.349 -4.083 19.686 239 2HB ASP 33 1HB ASP 33 0.860 -2.850 19.344 240 H GLY 34 H GLY 34 -0.169 -0.642 17.973 241 1HA GLY 34 2HA GLY 34 0.360 1.617 17.789 242 2HA GLY 34 1HA GLY 34 -0.013 1.818 19.494 243 H ASP 35 H ASP 35 2.103 -0.722 18.511 244 HA ASP 35 HA ASP 35 4.368 0.778 19.632 245 1HB ASP 35 2HB ASP 35 3.734 -2.168 19.675 246 2HB ASP 35 1HB ASP 35 5.332 -1.541 20.067 247 H LYS 36 H LYS 36 3.168 -0.843 16.863 248 HA LYS 36 HA LYS 36 5.804 -0.581 15.576 249 1HB LYS 36 2HB LYS 36 3.974 -2.848 15.686 250 2HB LYS 36 1HB LYS 36 4.391 -2.405 14.035 251 1HG LYS 36 2HG LYS 36 6.777 -2.549 14.631 252 2HG LYS 36 1HG LYS 36 6.315 -3.080 16.249 253 1HD LYS 36 2HD LYS 36 5.105 -4.993 15.202 254 2HD LYS 36 1HD LYS 36 5.768 -4.496 13.643 255 1HE LYS 36 2HE LYS 36 7.735 -4.794 15.810 256 2HE LYS 36 1HE LYS 36 6.938 -6.285 15.307 257 1HZ LYS 36 1HZ LYS 36 8.053 -4.470 13.276 258 2HZ LYS 36 2HZ LYS 36 7.808 -6.142 13.198 259 3HZ LYS 36 3HZ LYS 36 9.082 -5.516 14.117 260 H VAL 37 H VAL 37 5.881 0.775 13.917 261 HA VAL 37 HA VAL 37 3.364 1.458 12.544 262 HB VAL 37 HB VAL 37 5.612 3.393 13.116 263 1HG1 VAL 37 1HG1 VAL 37 3.757 3.506 11.131 264 2HG1 VAL 37 2HG1 VAL 37 4.530 4.911 11.865 265 3HG1 VAL 37 3HG1 VAL 37 2.941 4.386 12.423 266 1HG2 VAL 37 1HG2 VAL 37 3.204 2.656 14.662 267 2HG2 VAL 37 2HG2 VAL 37 3.541 4.380 14.507 268 3HG2 VAL 37 3HG2 VAL 37 4.750 3.306 15.207 269 H HIS 38 H HIS 38 3.418 0.976 10.464 270 HA HIS 38 HA HIS 38 6.039 0.820 9.125 271 1HB HIS 38 2HB HIS 38 4.767 -1.291 9.174 272 2HB HIS 38 1HB HIS 38 3.454 -0.499 8.315 273 HD1 HIS 38 HD1 HIS 38 6.167 -2.654 7.672 274 HD2 HIS 38 HD2 HIS 38 4.588 0.659 5.723 275 HE1 HIS 38 HE1 HIS 38 6.990 -2.813 5.299 276 HE2 HIS 38 HE2 HIS 38 6.094 -0.750 4.164 277 H THR 39 H THR 39 6.389 1.817 7.224 278 HA THR 39 HA THR 39 4.281 3.649 6.272 279 HB THR 39 HB THR 39 7.257 4.189 6.247 280 HG1 THR 39 HG1 THR 39 7.027 5.097 8.124 281 1HG2 THR 39 1HG2 THR 39 5.930 5.374 4.514 282 2HG2 THR 39 2HG2 THR 39 6.714 6.437 5.681 283 3HG2 THR 39 3HG2 THR 39 4.985 6.107 5.809 284 H VAL 40 H VAL 40 3.806 3.580 4.160 285 HA VAL 40 HA VAL 40 5.566 1.982 2.412 286 HB VAL 40 HB VAL 40 2.589 2.340 2.070 287 1HG1 VAL 40 1HG1 VAL 40 3.230 0.083 0.753 288 2HG1 VAL 40 2HG1 VAL 40 4.727 0.993 0.556 289 3HG1 VAL 40 3HG1 VAL 40 3.200 1.679 0.003 290 1HG2 VAL 40 1HG2 VAL 40 3.367 1.072 4.166 291 2HG2 VAL 40 2HG2 VAL 40 3.895 -0.179 3.038 292 3HG2 VAL 40 3HG2 VAL 40 2.195 0.289 3.105 293 H VAL 41 H VAL 41 6.031 2.738 0.374 294 HA VAL 41 HA VAL 41 5.577 5.582 -0.042 295 HB VAL 41 HB VAL 41 7.179 3.697 -1.772 296 1HG1 VAL 41 1HG1 VAL 41 8.362 6.082 -2.034 297 2HG1 VAL 41 2HG1 VAL 41 6.712 6.614 -1.711 298 3HG1 VAL 41 3HG1 VAL 41 7.042 5.545 -3.074 299 1HG2 VAL 41 1HG2 VAL 41 8.413 3.480 0.121 300 2HG2 VAL 41 2HG2 VAL 41 7.820 4.990 0.812 301 3HG2 VAL 41 3HG2 VAL 41 9.070 5.021 -0.431 302 H LEU 42 H LEU 42 3.983 6.327 -1.260 303 HA LEU 42 HA LEU 42 2.429 4.510 -2.888 304 1HB LEU 42 2HB LEU 42 2.018 7.470 -2.509 305 2HB LEU 42 1HB LEU 42 0.846 6.301 -3.085 306 HG LEU 42 HG LEU 42 1.926 6.574 -0.285 307 1HD1 LEU 42 1HD1 LEU 42 -0.110 7.905 -1.443 308 2HD1 LEU 42 2HD1 LEU 42 -0.051 7.492 0.270 309 3HD1 LEU 42 3HD1 LEU 42 -0.959 6.478 -0.851 310 1HD2 LEU 42 1HD2 LEU 42 -0.040 4.686 -0.148 311 2HD2 LEU 42 2HD2 LEU 42 1.691 4.349 -0.146 312 3HD2 LEU 42 3HD2 LEU 42 0.775 4.255 -1.650 313 H SER 43 H SER 43 5.077 6.544 -3.403 314 HA SER 43 HA SER 43 4.420 7.315 -6.097 315 1HB SER 43 2HB SER 43 7.083 7.747 -5.952 316 2HB SER 43 1HB SER 43 5.886 8.879 -5.325 317 HG SER 43 HG SER 43 7.743 7.438 -3.993 318 H THR 44 H THR 44 5.958 4.646 -4.520 319 HA THR 44 HA THR 44 7.091 3.675 -7.024 320 HB THR 44 HB THR 44 8.459 3.558 -4.968 321 HG1 THR 44 HG1 THR 44 7.720 0.999 -5.940 322 1HG2 THR 44 1HG2 THR 44 6.880 1.277 -3.939 323 2HG2 THR 44 2HG2 THR 44 6.313 2.906 -3.571 324 3HG2 THR 44 3HG2 THR 44 7.935 2.408 -3.090 325 H ILE 45 H ILE 45 4.137 3.787 -6.305 326 HA ILE 45 HA ILE 45 3.472 0.937 -6.412 327 HB ILE 45 HB ILE 45 1.574 3.269 -6.150 328 1HG1 ILE 45 2HG1 ILE 45 3.117 3.241 -4.254 329 2HG1 ILE 45 1HG1 ILE 45 1.510 2.729 -3.745 330 1HG2 ILE 45 1HG2 ILE 45 0.907 0.586 -5.121 331 2HG2 ILE 45 2HG2 ILE 45 0.982 0.752 -6.876 332 3HG2 ILE 45 3HG2 ILE 45 -0.107 1.776 -5.939 333 1HD1 ILE 45 1HD1 ILE 45 2.713 1.132 -2.705 334 2HD1 ILE 45 2HD1 ILE 45 4.040 1.218 -3.863 335 3HD1 ILE 45 3HD1 ILE 45 2.567 0.340 -4.274 336 H ASP 46 H ASP 46 3.775 0.285 -8.480 337 HA ASP 46 HA ASP 46 3.188 1.814 -10.775 338 1HB ASP 46 2HB ASP 46 4.559 -0.462 -10.366 339 2HB ASP 46 1HB ASP 46 3.055 -1.143 -10.976 340 H LYS 47 H LYS 47 1.234 -0.197 -8.726 341 HA LYS 47 HA LYS 47 -1.176 0.748 -9.855 342 1HB LYS 47 2HB LYS 47 -1.526 -0.690 -11.525 343 2HB LYS 47 1HB LYS 47 -0.011 -1.503 -11.167 344 1HG LYS 47 2HG LYS 47 -1.151 -2.964 -9.589 345 2HG LYS 47 1HG LYS 47 -2.675 -2.133 -9.908 346 1HD LYS 47 2HD LYS 47 -2.720 -4.093 -11.227 347 2HD LYS 47 1HD LYS 47 -2.353 -2.772 -12.340 348 1HE LYS 47 2HE LYS 47 0.038 -3.336 -12.182 349 2HE LYS 47 1HE LYS 47 -0.365 -4.686 -11.122 350 1HZ LYS 47 1HZ LYS 47 -1.343 -4.378 -13.909 351 2HZ LYS 47 2HZ LYS 47 -1.600 -5.707 -12.895 352 3HZ LYS 47 3HZ LYS 47 -0.040 -5.355 -13.447 353 H LEU 48 H LEU 48 -3.096 -0.258 -8.851 354 HA LEU 48 HA LEU 48 -2.440 -1.539 -6.280 355 1HB LEU 48 2HB LEU 48 -4.213 -0.284 -5.220 356 2HB LEU 48 1HB LEU 48 -3.067 0.814 -5.966 357 HG LEU 48 HG LEU 48 -5.606 0.028 -7.366 358 1HD1 LEU 48 1HD1 LEU 48 -5.522 2.606 -5.942 359 2HD1 LEU 48 2HD1 LEU 48 -5.718 1.170 -4.937 360 3HD1 LEU 48 3HD1 LEU 48 -6.870 1.508 -6.230 361 1HD2 LEU 48 1HD2 LEU 48 -4.486 1.163 -8.951 362 2HD2 LEU 48 2HD2 LEU 48 -3.402 1.923 -7.787 363 3HD2 LEU 48 3HD2 LEU 48 -5.016 2.583 -8.049 364 H GLN 49 H GLN 49 -3.589 -3.308 -5.742 365 HA GLN 49 HA GLN 49 -5.833 -4.051 -7.504 366 1HB GLN 49 2HB GLN 49 -3.739 -5.800 -6.209 367 2HB GLN 49 1HB GLN 49 -5.190 -6.428 -6.979 368 1HG GLN 49 2HG GLN 49 -3.157 -4.720 -8.387 369 2HG GLN 49 1HG GLN 49 -3.134 -6.482 -8.387 370 1HE2 GLN 49 1HE2 GLN 49 -3.235 -5.961 -10.756 371 2HE2 GLN 49 2HE2 GLN 49 -4.805 -5.839 -11.465 372 H ALA 50 H ALA 50 -7.558 -5.249 -6.566 373 HA ALA 50 HA ALA 50 -7.676 -5.309 -3.643 374 1HB ALA 50 1HB ALA 50 -10.038 -4.226 -5.109 375 2HB ALA 50 2HB ALA 50 -8.692 -3.159 -4.711 376 3HB ALA 50 3HB ALA 50 -9.559 -4.001 -3.427 377 H THR 51 H THR 51 -9.417 -6.643 -2.811 378 HA THR 51 HA THR 51 -9.717 -9.046 -4.303 379 HB THR 51 HB THR 51 -11.432 -9.466 -2.321 380 HG1 THR 51 HG1 THR 51 -11.488 -7.367 -1.551 381 1HG2 THR 51 1HG2 THR 51 -9.457 -10.731 -2.348 382 2HG2 THR 51 2HG2 THR 51 -9.485 -9.924 -0.780 383 3HG2 THR 51 3HG2 THR 51 -8.449 -9.310 -2.068 384 HA PRO 52 HA PRO 52 -13.441 -8.211 -6.520 385 1HB PRO 52 2HB PRO 52 -14.456 -10.718 -6.755 386 2HB PRO 52 1HB PRO 52 -13.055 -10.160 -7.675 387 1HG PRO 52 2HG PRO 52 -13.146 -11.809 -5.178 388 2HG PRO 52 1HG PRO 52 -12.137 -12.017 -6.621 389 1HD PRO 52 2HD PRO 52 -11.209 -10.875 -4.348 390 2HD PRO 52 1HD PRO 52 -10.636 -10.397 -5.958 391 H ALA 53 H ALA 53 -15.695 -8.055 -6.293 392 HA ALA 53 HA ALA 53 -16.653 -7.818 -3.653 393 1HB ALA 53 1HB ALA 53 -18.569 -6.949 -4.570 394 2HB ALA 53 2HB ALA 53 -18.543 -8.050 -5.946 395 3HB ALA 53 3HB ALA 53 -17.424 -6.686 -5.885 396 H SER 54 H SER 54 -16.446 -10.523 -5.736 397 HA SER 54 HA SER 54 -18.601 -11.972 -4.428 398 1HB SER 54 2HB SER 54 -18.051 -12.146 -6.916 399 2HB SER 54 1HB SER 54 -16.642 -13.090 -6.432 400 HG SER 54 HG SER 54 -18.192 -14.465 -5.292 401 H SER 55 H SER 55 -15.512 -11.244 -3.598 402 HA SER 55 HA SER 55 -15.013 -13.849 -2.332 403 1HB SER 55 2HB SER 55 -13.206 -11.607 -3.185 404 2HB SER 55 1HB SER 55 -12.691 -12.725 -1.923 405 HG SER 55 HG SER 55 -13.205 -14.427 -3.481 406 H GLU 56 H GLU 56 -15.694 -13.976 -0.314 407 HA GLU 56 HA GLU 56 -16.465 -11.822 1.285 408 1HB GLU 56 2HB GLU 56 -15.618 -14.608 2.093 409 2HB GLU 56 1HB GLU 56 -16.411 -13.461 3.162 410 1HG GLU 56 2HG GLU 56 -18.350 -13.430 1.641 411 2HG GLU 56 1HG GLU 56 -17.558 -14.652 0.648 412 H LYS 57 H LYS 57 -13.356 -13.044 0.573 413 HA LYS 57 HA LYS 57 -12.102 -11.977 2.960 414 1HB LYS 57 2HB LYS 57 -10.940 -13.211 0.457 415 2HB LYS 57 1HB LYS 57 -9.988 -12.693 1.842 416 1HG LYS 57 2HG LYS 57 -11.238 -14.296 3.249 417 2HG LYS 57 1HG LYS 57 -12.075 -14.862 1.802 418 1HD LYS 57 2HD LYS 57 -9.878 -15.448 0.816 419 2HD LYS 57 1HD LYS 57 -9.106 -14.980 2.332 420 1HE LYS 57 2HE LYS 57 -9.334 -17.178 2.797 421 2HE LYS 57 1HE LYS 57 -10.957 -16.682 3.272 422 1HZ LYS 57 1HZ LYS 57 -11.435 -17.137 0.754 423 2HZ LYS 57 2HZ LYS 57 -11.434 -18.402 1.877 424 3HZ LYS 57 3HZ LYS 57 -10.083 -18.147 0.890 425 H MET 58 H MET 58 -11.573 -9.914 3.174 426 HA MET 58 HA MET 58 -11.394 -8.227 0.791 427 1HB MET 58 2HB MET 58 -11.563 -7.496 3.719 428 2HB MET 58 1HB MET 58 -11.514 -6.343 2.393 429 1HG MET 58 2HG MET 58 -13.619 -7.185 1.546 430 2HG MET 58 1HG MET 58 -13.660 -8.409 2.813 431 1HE MET 58 1HE MET 58 -15.612 -8.080 4.166 432 2HE MET 58 2HE MET 58 -16.302 -7.039 2.920 433 3HE MET 58 3HE MET 58 -16.343 -6.538 4.612 434 H MET 59 H MET 59 -9.435 -8.016 -0.062 435 HA MET 59 HA MET 59 -7.214 -7.243 1.641 436 1HB MET 59 2HB MET 59 -7.011 -9.642 -0.187 437 2HB MET 59 1HB MET 59 -5.701 -8.948 0.758 438 1HG MET 59 2HG MET 59 -6.932 -9.503 2.817 439 2HG MET 59 1HG MET 59 -8.180 -10.268 1.837 440 1HE MET 59 1HE MET 59 -7.534 -13.251 2.914 441 2HE MET 59 2HE MET 59 -7.584 -11.740 3.822 442 3HE MET 59 3HE MET 59 -6.175 -12.794 3.942 443 H LEU 60 H LEU 60 -5.962 -5.760 0.669 444 HA LEU 60 HA LEU 60 -6.297 -5.395 -2.237 445 1HB LEU 60 2HB LEU 60 -5.925 -3.403 -0.016 446 2HB LEU 60 1HB LEU 60 -5.573 -2.989 -1.684 447 HG LEU 60 HG LEU 60 -7.898 -3.455 -2.303 448 1HD1 LEU 60 1HD1 LEU 60 -7.980 -4.492 0.451 449 2HD1 LEU 60 2HD1 LEU 60 -8.890 -4.982 -0.979 450 3HD1 LEU 60 3HD1 LEU 60 -9.385 -3.558 -0.062 451 1HD2 LEU 60 1HD2 LEU 60 -8.914 -1.651 -0.677 452 2HD2 LEU 60 2HD2 LEU 60 -7.693 -1.216 -1.874 453 3HD2 LEU 60 3HD2 LEU 60 -7.228 -1.468 -0.190 454 H ARG 61 H ARG 61 -4.557 -5.865 -3.388 455 HA ARG 61 HA ARG 61 -1.929 -5.815 -2.078 456 1HB ARG 61 2HB ARG 61 -2.681 -7.947 -3.117 457 2HB ARG 61 1HB ARG 61 -2.729 -7.137 -4.677 458 1HG ARG 61 2HG ARG 61 -0.311 -6.678 -4.474 459 2HG ARG 61 1HG ARG 61 -0.294 -7.598 -2.967 460 1HD ARG 61 2HD ARG 61 -1.088 -8.663 -5.676 461 2HD ARG 61 1HD ARG 61 0.454 -8.950 -4.871 462 HE ARG 61 HE ARG 61 -1.389 -9.821 -3.075 463 1HH1 ARG 61 1HH1 ARG 61 -0.756 -10.527 -6.433 464 2HH1 ARG 61 2HH1 ARG 61 -1.343 -12.152 -6.331 465 1HH2 ARG 61 1HH2 ARG 61 -2.160 -11.959 -2.938 466 2HH2 ARG 61 2HH2 ARG 61 -2.140 -12.966 -4.347 467 H LEU 62 H LEU 62 -0.489 -4.314 -2.581 468 HA LEU 62 HA LEU 62 -0.972 -2.672 -4.978 469 1HB LEU 62 2HB LEU 62 -0.262 -2.033 -2.232 470 2HB LEU 62 1HB LEU 62 0.857 -1.317 -3.377 471 HG LEU 62 HG LEU 62 -1.249 -0.441 -4.583 472 1HD1 LEU 62 1HD1 LEU 62 -2.374 -1.567 -2.089 473 2HD1 LEU 62 2HD1 LEU 62 -3.100 -1.395 -3.687 474 3HD1 LEU 62 3HD1 LEU 62 -2.986 0.001 -2.614 475 1HD2 LEU 62 1HD2 LEU 62 0.468 0.703 -2.891 476 2HD2 LEU 62 2HD2 LEU 62 -1.008 0.870 -1.941 477 3HD2 LEU 62 3HD2 LEU 62 -0.920 1.558 -3.562 478 H ILE 63 H ILE 63 0.509 -2.600 -6.541 479 HA ILE 63 HA ILE 63 2.765 -4.359 -6.449 480 HB ILE 63 HB ILE 63 2.127 -2.282 -8.551 481 1HG1 ILE 63 2HG1 ILE 63 0.208 -3.738 -8.279 482 2HG1 ILE 63 1HG1 ILE 63 1.046 -4.165 -9.767 483 1HG2 ILE 63 1HG2 ILE 63 3.322 -4.449 -9.761 484 2HG2 ILE 63 2HG2 ILE 63 4.207 -4.293 -8.244 485 3HG2 ILE 63 3HG2 ILE 63 4.108 -2.925 -9.351 486 1HD1 ILE 63 1HD1 ILE 63 2.207 -5.964 -8.364 487 2HD1 ILE 63 2HD1 ILE 63 0.515 -6.207 -8.801 488 3HD1 ILE 63 3HD1 ILE 63 0.938 -5.658 -7.179 489 H GLY 64 H GLY 64 4.953 -3.847 -6.449 490 1HA GLY 64 2HA GLY 64 5.566 -1.163 -5.406 491 2HA GLY 64 1HA GLY 64 6.533 -2.604 -5.132 492 H LYS 65 H LYS 65 5.253 -1.703 -8.270 493 HA LYS 65 HA LYS 65 6.301 -1.348 -10.263 494 1HB LYS 65 2HB LYS 65 7.436 0.567 -8.327 495 2HB LYS 65 1HB LYS 65 8.346 0.375 -9.818 496 1HG LYS 65 2HG LYS 65 6.313 0.891 -11.100 497 2HG LYS 65 1HG LYS 65 5.444 1.143 -9.584 498 1HD LYS 65 2HD LYS 65 7.047 2.932 -9.004 499 2HD LYS 65 1HD LYS 65 7.829 2.707 -10.569 500 1HE LYS 65 2HE LYS 65 4.915 3.122 -10.650 501 2HE LYS 65 1HE LYS 65 5.862 4.501 -10.094 502 1HZ LYS 65 1HZ LYS 65 6.244 3.043 -12.654 503 2HZ LYS 65 2HZ LYS 65 7.191 4.337 -12.119 504 3HZ LYS 65 3HZ LYS 65 5.556 4.578 -12.476 505 H VAL 66 H VAL 66 8.751 -1.015 -11.193 506 HA VAL 66 HA VAL 66 10.261 -3.345 -10.196 507 HB VAL 66 HB VAL 66 10.260 -2.337 -13.041 508 1HG1 VAL 66 1HG1 VAL 66 11.204 -4.605 -13.478 509 2HG1 VAL 66 2HG1 VAL 66 11.314 -4.838 -11.734 510 3HG1 VAL 66 3HG1 VAL 66 12.245 -3.558 -12.512 511 1HG2 VAL 66 1HG2 VAL 66 8.991 -4.758 -13.104 512 2HG2 VAL 66 2HG2 VAL 66 8.191 -3.188 -13.171 513 3HG2 VAL 66 3HG2 VAL 66 8.341 -4.035 -11.632 514 H ASP 67 H ASP 67 12.462 -3.174 -9.972 515 HA ASP 67 HA ASP 67 13.523 -0.451 -10.044 516 1HB ASP 67 2HB ASP 67 13.709 -1.787 -7.948 517 2HB ASP 67 1HB ASP 67 14.736 -2.931 -8.807 518 H GLU 68 H GLU 68 13.197 -1.717 -12.530 519 HA GLU 68 HA GLU 68 15.973 -2.291 -13.314 520 1HB GLU 68 2HB GLU 68 15.115 -3.539 -15.183 521 2HB GLU 68 1HB GLU 68 14.317 -4.108 -13.724 522 1HG GLU 68 2HG GLU 68 12.383 -2.652 -14.291 523 2HG GLU 68 1HG GLU 68 13.176 -2.279 -15.821 524 H SER 69 H SER 69 15.050 0.349 -12.926 525 HA SER 69 HA SER 69 14.263 1.567 -15.362 526 1HB SER 69 2HB SER 69 14.724 3.673 -14.268 527 2HB SER 69 1HB SER 69 13.966 2.592 -13.100 528 HG SER 69 HG SER 69 16.198 3.860 -12.784 529 H LYS 70 H LYS 70 17.297 0.523 -14.114 530 HA LYS 70 HA LYS 70 18.882 2.164 -15.880 531 1HB LYS 70 2HB LYS 70 19.624 -0.142 -14.075 532 2HB LYS 70 1HB LYS 70 20.782 0.801 -15.003 533 1HG LYS 70 2HG LYS 70 20.027 2.826 -13.787 534 2HG LYS 70 1HG LYS 70 19.002 1.794 -12.789 535 1HD LYS 70 2HD LYS 70 21.030 0.531 -12.110 536 2HD LYS 70 1HD LYS 70 22.009 1.687 -13.016 537 1HE LYS 70 2HE LYS 70 20.315 2.188 -10.581 538 2HE LYS 70 1HE LYS 70 22.060 2.384 -10.751 539 1HZ LYS 70 1HZ LYS 70 21.111 4.528 -10.841 540 2HZ LYS 70 2HZ LYS 70 19.925 4.055 -11.949 541 3HZ LYS 70 3HZ LYS 70 21.543 4.148 -12.432 542 H LYS 71 H LYS 71 17.154 -0.731 -16.179 543 HA LYS 71 HA LYS 71 16.968 -2.259 -17.849 544 1HB LYS 71 2HB LYS 71 18.813 -0.429 -19.395 545 2HB LYS 71 1HB LYS 71 17.783 -1.684 -20.070 546 1HG LYS 71 2HG LYS 71 16.795 0.764 -18.621 547 2HG LYS 71 1HG LYS 71 16.867 0.576 -20.375 548 1HD LYS 71 2HD LYS 71 15.399 -1.453 -20.107 549 2HD LYS 71 1HD LYS 71 15.190 -0.985 -18.418 550 1HE LYS 71 2HE LYS 71 14.536 0.782 -20.771 551 2HE LYS 71 1HE LYS 71 13.359 -0.218 -19.921 552 1HZ LYS 71 1HZ LYS 71 14.959 1.556 -18.267 553 2HZ LYS 71 2HZ LYS 71 13.317 1.169 -18.164 554 3HZ LYS 71 3HZ LYS 71 13.846 2.311 -19.294 555 H ARG 72 H ARG 72 18.554 -3.131 -15.976 556 HA ARG 72 HA ARG 72 21.236 -3.647 -16.584 557 1HB ARG 72 2HB ARG 72 19.283 -5.240 -14.916 558 2HB ARG 72 1HB ARG 72 21.016 -5.529 -14.954 559 1HG ARG 72 2HG ARG 72 21.383 -3.228 -14.134 560 2HG ARG 72 1HG ARG 72 19.633 -3.030 -14.007 561 1HD ARG 72 2HD ARG 72 19.615 -5.023 -12.484 562 2HD ARG 72 1HD ARG 72 21.376 -4.969 -12.498 563 HE ARG 72 HE ARG 72 21.276 -3.254 -11.003 564 1HH1 ARG 72 1HH1 ARG 72 18.199 -3.460 -12.638 565 2HH1 ARG 72 2HH1 ARG 72 17.458 -2.236 -11.662 566 1HH2 ARG 72 1HH2 ARG 72 20.303 -1.644 -9.718 567 2HH2 ARG 72 2HH2 ARG 72 18.652 -1.204 -10.005 568 H LYS 73 H LYS 73 22.250 -5.117 -17.818 569 HA LYS 73 HA LYS 73 20.642 -6.697 -19.638 570 1HB LYS 73 2HB LYS 73 23.635 -6.315 -19.451 571 2HB LYS 73 1HB LYS 73 22.811 -7.198 -20.729 572 1HG LYS 73 2HG LYS 73 21.612 -5.120 -21.333 573 2HG LYS 73 1HG LYS 73 22.561 -4.260 -20.121 574 1HD LYS 73 2HD LYS 73 24.624 -5.005 -21.315 575 2HD LYS 73 1HD LYS 73 23.588 -5.666 -22.584 576 1HE LYS 73 2HE LYS 73 23.026 -2.877 -21.852 577 2HE LYS 73 1HE LYS 73 24.613 -3.147 -22.571 578 1HZ LYS 73 1HZ LYS 73 22.644 -2.655 -24.108 579 2HZ LYS 73 2HZ LYS 73 22.184 -4.257 -23.824 580 3HZ LYS 73 3HZ LYS 73 23.684 -3.923 -24.529 581 H ASP 74 H ASP 74 21.302 -8.969 -20.118 582 HA ASP 74 HA ASP 74 21.322 -10.483 -17.674 583 1HB ASP 74 2HB ASP 74 21.275 -11.333 -20.573 584 2HB ASP 74 1HB ASP 74 21.173 -12.451 -19.217 585 H ASN 75 H ASN 75 23.661 -9.400 -19.921 586 HA ASN 75 HA ASN 75 25.588 -11.472 -19.387 587 1HB ASN 75 2HB ASN 75 25.906 -8.797 -20.761 588 2HB ASN 75 1HB ASN 75 27.113 -10.079 -20.733 589 1HD2 ASN 75 1HD2 ASN 75 25.717 -12.309 -21.207 590 2HD2 ASN 75 2HD2 ASN 75 24.953 -12.243 -22.755 591 H GLU 76 H GLU 76 24.461 -9.040 -17.503 592 HA GLU 76 HA GLU 76 27.038 -8.249 -16.397 593 1HB GLU 76 2HB GLU 76 25.117 -6.627 -16.784 594 2HB GLU 76 1HB GLU 76 24.316 -7.401 -15.424 595 1HG GLU 76 2HG GLU 76 26.233 -6.807 -13.994 596 2HG GLU 76 1HG GLU 76 26.959 -5.965 -15.361 597 H GLY 77 H GLY 77 26.424 -10.974 -16.107 598 1HA GLY 77 2HA GLY 77 26.598 -12.590 -14.483 599 2HA GLY 77 1HA GLY 77 26.853 -11.296 -13.323 600 H ASN 78 H ASN 78 23.964 -11.244 -15.232 601 HA ASN 78 HA ASN 78 22.439 -12.430 -13.023 602 1HB ASN 78 2HB ASN 78 20.818 -10.624 -13.068 603 2HB ASN 78 1HB ASN 78 22.423 -9.964 -12.770 604 1HD2 ASN 78 1HD2 ASN 78 22.941 -8.247 -13.901 605 2HD2 ASN 78 2HD2 ASN 78 22.261 -7.779 -15.418 606 H GLU 79 H GLU 79 20.801 -13.721 -13.633 607 HA GLU 79 HA GLU 79 20.473 -14.237 -16.464 608 1HB GLU 79 2HB GLU 79 20.669 -16.095 -14.847 609 2HB GLU 79 1HB GLU 79 19.175 -15.572 -14.082 610 1HG GLU 79 2HG GLU 79 18.662 -17.405 -15.497 611 2HG GLU 79 1HG GLU 79 18.013 -15.950 -16.251 612 H VAL 80 H VAL 80 18.342 -13.393 -13.738 613 HA VAL 80 HA VAL 80 16.433 -12.292 -15.698 614 HB VAL 80 HB VAL 80 15.724 -13.408 -12.984 615 1HG1 VAL 80 1HG1 VAL 80 13.417 -13.363 -13.949 616 2HG1 VAL 80 2HG1 VAL 80 14.069 -12.459 -15.315 617 3HG1 VAL 80 3HG1 VAL 80 14.137 -11.773 -13.692 618 1HG2 VAL 80 1HG2 VAL 80 15.025 -15.407 -13.990 619 2HG2 VAL 80 2HG2 VAL 80 16.604 -15.080 -14.707 620 3HG2 VAL 80 3HG2 VAL 80 15.131 -14.730 -15.615 621 H VAL 81 H VAL 81 16.056 -10.180 -15.542 622 HA VAL 81 HA VAL 81 17.194 -8.691 -13.333 623 HB VAL 81 HB VAL 81 15.642 -7.510 -15.629 624 1HG1 VAL 81 1HG1 VAL 81 16.173 -6.068 -13.697 625 2HG1 VAL 81 2HG1 VAL 81 16.964 -5.541 -15.183 626 3HG1 VAL 81 3HG1 VAL 81 17.887 -6.400 -13.950 627 1HG2 VAL 81 1HG2 VAL 81 17.633 -7.380 -16.929 628 2HG2 VAL 81 2HG2 VAL 81 17.453 -9.060 -16.425 629 3HG2 VAL 81 3HG2 VAL 81 18.612 -8.013 -15.606 630 HA PRO 82 HA PRO 82 12.360 -7.472 -13.187 631 1HB PRO 82 2HB PRO 82 11.474 -10.269 -13.740 632 2HB PRO 82 1HB PRO 82 10.678 -8.739 -14.128 633 1HG PRO 82 2HG PRO 82 11.935 -10.125 -16.018 634 2HG PRO 82 1HG PRO 82 12.028 -8.354 -15.976 635 1HD PRO 82 2HD PRO 82 14.074 -10.379 -15.203 636 2HD PRO 82 1HD PRO 82 14.287 -8.778 -15.936 637 H LYS 83 H LYS 83 11.771 -7.371 -11.115 638 HA LYS 83 HA LYS 83 11.422 -9.617 -9.434 639 1HB LYS 83 2HB LYS 83 14.024 -9.203 -9.641 640 2HB LYS 83 1HB LYS 83 13.699 -7.945 -8.458 641 1HG LYS 83 2HG LYS 83 13.296 -9.417 -6.798 642 2HG LYS 83 1HG LYS 83 12.555 -10.601 -7.877 643 1HD LYS 83 2HD LYS 83 14.494 -11.699 -7.368 644 2HD LYS 83 1HD LYS 83 15.029 -10.793 -8.785 645 1HE LYS 83 2HE LYS 83 15.280 -9.406 -6.195 646 2HE LYS 83 1HE LYS 83 16.332 -10.803 -6.422 647 1HZ LYS 83 1HZ LYS 83 16.191 -8.909 -8.630 648 2HZ LYS 83 2HZ LYS 83 17.516 -9.765 -8.020 649 3HZ LYS 83 3HZ LYS 83 16.975 -8.371 -7.230 650 HA PRO 84 HA PRO 84 9.655 -5.404 -8.210 651 1HB PRO 84 2HB PRO 84 7.077 -5.849 -8.886 652 2HB PRO 84 1HB PRO 84 8.260 -5.203 -10.030 653 1HG PRO 84 2HG PRO 84 7.257 -8.008 -9.722 654 2HG PRO 84 1HG PRO 84 7.532 -7.075 -11.205 655 1HD PRO 84 2HD PRO 84 9.292 -8.925 -10.278 656 2HD PRO 84 1HD PRO 84 9.795 -7.490 -11.195 657 H GLN 85 H GLN 85 8.705 -5.054 -6.253 658 HA GLN 85 HA GLN 85 7.929 -7.439 -4.734 659 1HB GLN 85 2HB GLN 85 8.725 -4.671 -3.817 660 2HB GLN 85 1HB GLN 85 8.232 -5.971 -2.740 661 1HG GLN 85 2HG GLN 85 10.128 -7.309 -3.453 662 2HG GLN 85 1HG GLN 85 10.610 -6.045 -4.583 663 1HE2 GLN 85 1HE2 GLN 85 12.366 -6.963 -2.711 664 2HE2 GLN 85 2HE2 GLN 85 12.650 -5.742 -1.522 665 H ARG 86 H ARG 86 5.911 -7.719 -3.959 666 HA ARG 86 HA ARG 86 3.975 -5.551 -4.453 667 1HB ARG 86 2HB ARG 86 3.553 -8.544 -4.485 668 2HB ARG 86 1HB ARG 86 2.269 -7.353 -4.647 669 1HG ARG 86 2HG ARG 86 3.355 -6.502 -6.689 670 2HG ARG 86 1HG ARG 86 4.573 -7.770 -6.540 671 1HD ARG 86 2HD ARG 86 2.691 -9.436 -6.596 672 2HD ARG 86 1HD ARG 86 1.615 -8.102 -7.006 673 HE ARG 86 HE ARG 86 2.415 -8.179 -9.141 674 1HH1 ARG 86 1HH1 ARG 86 4.683 -9.815 -7.055 675 2HH1 ARG 86 2HH1 ARG 86 5.675 -10.372 -8.360 676 1HH2 ARG 86 1HH2 ARG 86 3.718 -8.910 -10.860 677 2HH2 ARG 86 2HH2 ARG 86 5.129 -9.856 -10.521 678 H HIS 87 H HIS 87 2.606 -4.936 -2.857 679 HA HIS 87 HA HIS 87 3.027 -6.172 -0.221 680 1HB HIS 87 2HB HIS 87 2.446 -3.369 -1.097 681 2HB HIS 87 1HB HIS 87 1.928 -3.891 0.503 682 HD1 HIS 87 HD1 HIS 87 3.605 -3.573 2.289 683 HD2 HIS 87 HD2 HIS 87 5.376 -3.850 -1.460 684 HE1 HIS 87 HE1 HIS 87 6.057 -3.172 2.676 685 HE2 HIS 87 HE2 HIS 87 7.097 -3.267 0.382 686 H MET 88 H MET 88 1.428 -7.435 0.455 687 HA MET 88 HA MET 88 -1.279 -6.964 -0.582 688 1HB MET 88 2HB MET 88 -0.258 -9.203 -0.963 689 2HB MET 88 1HB MET 88 -0.179 -9.429 0.779 690 1HG MET 88 2HG MET 88 -2.632 -9.228 0.887 691 2HG MET 88 1HG MET 88 -2.673 -9.096 -0.871 692 1HE MET 88 1HE MET 88 -4.163 -11.793 -1.376 693 2HE MET 88 2HE MET 88 -4.477 -10.741 0.005 694 3HE MET 88 3HE MET 88 -4.212 -12.467 0.253 695 H PHE 89 H PHE 89 -2.860 -6.290 0.717 696 HA PHE 89 HA PHE 89 -2.367 -6.307 3.623 697 1HB PHE 89 2HB PHE 89 -3.776 -4.271 1.899 698 2HB PHE 89 1HB PHE 89 -3.907 -4.294 3.655 699 HD1 PHE 89 HD1 PHE 89 -1.825 -3.468 0.812 700 HD2 PHE 89 HD2 PHE 89 -1.935 -3.851 5.047 701 HE1 PHE 89 HE1 PHE 89 0.245 -2.150 0.977 702 HE2 PHE 89 HE2 PHE 89 0.136 -2.529 5.223 703 HZ PHE 89 HZ PHE 89 1.229 -1.679 3.187 704 H SER 90 H SER 90 -4.300 -6.353 4.976 705 HA SER 90 HA SER 90 -6.547 -7.777 3.707 706 1HB SER 90 2HB SER 90 -4.750 -8.868 5.550 707 2HB SER 90 1HB SER 90 -6.187 -8.491 6.500 708 HG SER 90 HG SER 90 -7.352 -9.879 5.329 709 H PHE 91 H PHE 91 -8.436 -6.770 3.979 710 HA PHE 91 HA PHE 91 -8.618 -4.701 6.034 711 1HB PHE 91 2HB PHE 91 -9.991 -5.171 3.421 712 2HB PHE 91 1HB PHE 91 -10.774 -4.177 4.645 713 HD1 PHE 91 HD1 PHE 91 -7.862 -4.484 2.437 714 HD2 PHE 91 HD2 PHE 91 -9.975 -2.011 5.177 715 HE1 PHE 91 HE1 PHE 91 -6.501 -2.560 1.733 716 HE2 PHE 91 HE2 PHE 91 -8.619 -0.072 4.479 717 HZ PHE 91 HZ PHE 91 -6.880 -0.346 2.753 718 H ASN 92 H ASN 92 -10.068 -4.721 7.629 719 HA ASN 92 HA ASN 92 -11.676 -7.148 7.942 720 1HB ASN 92 2HB ASN 92 -10.120 -6.503 9.778 721 2HB ASN 92 1HB ASN 92 -11.029 -5.009 9.985 722 1HD2 ASN 92 1HD2 ASN 92 -11.307 -8.520 10.074 723 2HD2 ASN 92 2HD2 ASN 92 -12.580 -8.570 11.240 724 H ASN 93 H ASN 93 -12.156 -4.392 6.440 725 HA ASN 93 HA ASN 93 -14.979 -4.377 7.019 726 1HB ASN 93 2HB ASN 93 -13.208 -2.021 7.592 727 2HB ASN 93 1HB ASN 93 -14.913 -1.808 7.208 728 1HD2 ASN 93 1HD2 ASN 93 -13.355 -1.302 9.672 729 2HD2 ASN 93 2HD2 ASN 93 -14.183 -2.167 10.916 730 H ARG 94 H ARG 94 -16.121 -4.112 5.221 731 HA ARG 94 HA ARG 94 -14.864 -3.838 2.711 732 1HB ARG 94 2HB ARG 94 -17.005 -5.036 3.081 733 2HB ARG 94 1HB ARG 94 -17.791 -3.492 3.382 734 1HG ARG 94 2HG ARG 94 -18.313 -3.627 1.205 735 2HG ARG 94 1HG ARG 94 -16.679 -3.003 0.976 736 1HD ARG 94 2HD ARG 94 -16.698 -4.826 -0.441 737 2HD ARG 94 1HD ARG 94 -15.997 -5.509 1.025 738 HE ARG 94 HE ARG 94 -18.840 -5.798 0.938 739 1HH1 ARG 94 1HH1 ARG 94 -15.834 -7.164 -0.196 740 2HH1 ARG 94 2HH1 ARG 94 -16.491 -8.752 -0.404 741 1HH2 ARG 94 1HH2 ARG 94 -19.704 -7.887 0.666 742 2HH2 ARG 94 2HH2 ARG 94 -18.687 -9.163 0.085 743 H THR 95 H THR 95 -16.839 -1.573 4.625 744 HA THR 95 HA THR 95 -16.804 0.526 2.799 745 HB THR 95 HB THR 95 -16.837 1.139 5.684 746 HG1 THR 95 HG1 THR 95 -18.091 -0.455 6.148 747 1HG2 THR 95 1HG2 THR 95 -18.824 2.351 5.155 748 2HG2 THR 95 2HG2 THR 95 -18.879 1.624 3.551 749 3HG2 THR 95 3HG2 THR 95 -17.583 2.745 3.965 750 H VAL 96 H VAL 96 -14.634 -0.368 5.392 751 HA VAL 96 HA VAL 96 -13.013 1.954 5.227 752 HB VAL 96 HB VAL 96 -12.316 -0.749 6.375 753 1HG1 VAL 96 1HG1 VAL 96 -10.313 0.511 5.977 754 2HG1 VAL 96 2HG1 VAL 96 -10.657 0.545 7.705 755 3HG1 VAL 96 3HG1 VAL 96 -11.018 1.952 6.706 756 1HG2 VAL 96 1HG2 VAL 96 -12.803 0.481 8.558 757 2HG2 VAL 96 2HG2 VAL 96 -14.189 0.003 7.574 758 3HG2 VAL 96 3HG2 VAL 96 -13.633 1.677 7.560 759 H MET 97 H MET 97 -13.005 -1.164 3.690 760 HA MET 97 HA MET 97 -10.398 -0.880 2.539 761 1HB MET 97 2HB MET 97 -10.675 -2.989 1.709 762 2HB MET 97 1HB MET 97 -11.871 -3.034 2.994 763 1HG MET 97 2HG MET 97 -13.224 -3.809 1.398 764 2HG MET 97 1HG MET 97 -13.371 -2.117 0.935 765 1HE MET 97 1HE MET 97 -13.393 -5.255 -0.374 766 2HE MET 97 2HE MET 97 -11.697 -5.636 -0.076 767 3HE MET 97 3HE MET 97 -12.270 -5.405 -1.727 768 H ASP 98 H ASP 98 -13.655 -0.065 1.573 769 HA ASP 98 HA ASP 98 -12.937 0.487 -1.144 770 1HB ASP 98 2HB ASP 98 -15.221 -0.249 -0.507 771 2HB ASP 98 1HB ASP 98 -15.437 1.269 0.362 772 H ASN 99 H ASN 99 -13.077 2.225 1.832 773 HA ASN 99 HA ASN 99 -13.102 4.835 0.708 774 1HB ASN 99 2HB ASN 99 -12.337 3.844 3.455 775 2HB ASN 99 1HB ASN 99 -12.407 5.548 3.017 776 1HD2 ASN 99 1HD2 ASN 99 -13.918 4.529 5.066 777 2HD2 ASN 99 2HD2 ASN 99 -15.589 4.568 4.625 778 H ILE 100 H ILE 100 -10.648 2.549 1.575 779 HA ILE 100 HA ILE 100 -8.484 4.442 1.223 780 HB ILE 100 HB ILE 100 -8.384 1.456 1.666 781 1HG1 ILE 100 2HG1 ILE 100 -9.415 2.749 3.528 782 2HG1 ILE 100 1HG1 ILE 100 -7.903 1.969 3.982 783 1HG2 ILE 100 1HG2 ILE 100 -6.033 1.862 2.294 784 2HG2 ILE 100 2HG2 ILE 100 -6.213 3.542 1.789 785 3HG2 ILE 100 3HG2 ILE 100 -6.364 2.245 0.605 786 1HD1 ILE 100 1HD1 ILE 100 -6.727 4.033 3.891 787 2HD1 ILE 100 2HD1 ILE 100 -8.195 4.292 4.834 788 3HD1 ILE 100 3HD1 ILE 100 -8.109 4.854 3.165 789 H LYS 101 H LYS 101 -9.780 1.589 -0.443 790 HA LYS 101 HA LYS 101 -7.899 1.395 -2.480 791 1HB LYS 101 2HB LYS 101 -9.631 -0.300 -2.028 792 2HB LYS 101 1HB LYS 101 -10.858 0.800 -2.645 793 1HG LYS 101 2HG LYS 101 -9.919 0.705 -4.849 794 2HG LYS 101 1HG LYS 101 -8.546 -0.237 -4.267 795 1HD LYS 101 2HD LYS 101 -10.018 -1.787 -5.278 796 2HD LYS 101 1HD LYS 101 -10.221 -1.987 -3.537 797 1HE LYS 101 2HE LYS 101 -12.352 -1.953 -4.856 798 2HE LYS 101 1HE LYS 101 -12.264 -0.770 -3.554 799 1HZ LYS 101 1HZ LYS 101 -11.484 -0.023 -6.296 800 2HZ LYS 101 2HZ LYS 101 -12.020 0.968 -5.035 801 3HZ LYS 101 3HZ LYS 101 -13.116 -0.033 -5.848 802 H MET 102 H MET 102 -10.899 3.293 -2.374 803 HA MET 102 HA MET 102 -10.613 4.338 -4.995 804 1HB MET 102 2HB MET 102 -12.233 5.302 -2.637 805 2HB MET 102 1HB MET 102 -12.345 5.990 -4.252 806 1HG MET 102 2HG MET 102 -13.115 3.873 -5.133 807 2HG MET 102 1HG MET 102 -12.928 3.123 -3.549 808 1HE MET 102 1HE MET 102 -16.083 6.110 -4.917 809 2HE MET 102 2HE MET 102 -14.454 5.886 -5.554 810 3HE MET 102 3HE MET 102 -14.708 6.861 -4.107 811 H THR 103 H THR 103 -9.611 5.413 -1.835 812 HA THR 103 HA THR 103 -8.786 8.003 -2.652 813 HB THR 103 HB THR 103 -8.782 6.419 -0.208 814 HG1 THR 103 HG1 THR 103 -9.086 8.500 0.672 815 1HG2 THR 103 1HG2 THR 103 -6.994 7.580 0.947 816 2HG2 THR 103 2HG2 THR 103 -6.484 8.325 -0.568 817 3HG2 THR 103 3HG2 THR 103 -6.360 6.578 -0.358 818 H LEU 104 H LEU 104 -7.191 4.884 -2.302 819 HA LEU 104 HA LEU 104 -4.561 5.804 -2.801 820 1HB LEU 104 2HB LEU 104 -5.857 3.097 -3.073 821 2HB LEU 104 1HB LEU 104 -4.158 3.367 -3.411 822 HG LEU 104 HG LEU 104 -5.487 3.875 -0.748 823 1HD1 LEU 104 1HD1 LEU 104 -4.388 1.885 0.025 824 2HD1 LEU 104 2HD1 LEU 104 -3.624 1.646 -1.546 825 3HD1 LEU 104 3HD1 LEU 104 -5.372 1.482 -1.383 826 1HD2 LEU 104 1HD2 LEU 104 -2.602 3.976 -1.617 827 2HD2 LEU 104 2HD2 LEU 104 -3.155 4.058 0.056 828 3HD2 LEU 104 3HD2 LEU 104 -3.596 5.331 -1.082 829 H GLN 105 H GLN 105 -7.228 4.858 -4.861 830 HA GLN 105 HA GLN 105 -5.728 4.605 -7.253 831 1HB GLN 105 2HB GLN 105 -8.471 4.393 -6.461 832 2HB GLN 105 1HB GLN 105 -8.372 5.424 -7.882 833 1HG GLN 105 2HG GLN 105 -7.000 2.764 -7.779 834 2HG GLN 105 1HG GLN 105 -8.697 2.916 -8.231 835 1HE2 GLN 105 1HE2 GLN 105 -7.184 1.831 -10.069 836 2HE2 GLN 105 2HE2 GLN 105 -6.822 2.929 -11.353 837 H GLN 106 H GLN 106 -7.218 7.280 -5.603 838 HA GLN 106 HA GLN 106 -7.098 9.145 -7.718 839 1HB GLN 106 2HB GLN 106 -7.109 9.539 -4.721 840 2HB GLN 106 1HB GLN 106 -7.220 10.860 -5.878 841 1HG GLN 106 2HG GLN 106 -9.181 8.596 -5.586 842 2HG GLN 106 1HG GLN 106 -9.406 10.249 -5.017 843 1HE2 GLN 106 1HE2 GLN 106 -10.495 8.285 -7.231 844 2HE2 GLN 106 2HE2 GLN 106 -10.712 9.349 -8.574 845 H ILE 107 H ILE 107 -4.834 8.245 -5.166 846 HA ILE 107 HA ILE 107 -2.900 10.217 -5.590 847 HB ILE 107 HB ILE 107 -2.503 7.341 -4.737 848 1HG1 ILE 107 2HG1 ILE 107 -2.622 9.806 -2.998 849 2HG1 ILE 107 1HG1 ILE 107 -4.042 8.830 -3.357 850 1HG2 ILE 107 1HG2 ILE 107 -0.322 7.716 -4.680 851 2HG2 ILE 107 2HG2 ILE 107 -0.560 9.136 -3.662 852 3HG2 ILE 107 3HG2 ILE 107 -0.588 9.293 -5.418 853 1HD1 ILE 107 1HD1 ILE 107 -2.136 8.455 -1.325 854 2HD1 ILE 107 2HD1 ILE 107 -1.949 7.119 -2.462 855 3HD1 ILE 107 3HD1 ILE 107 -3.520 7.439 -1.726 856 H ILE 108 H ILE 108 -3.354 7.049 -7.075 857 HA ILE 108 HA ILE 108 -1.118 6.882 -8.701 858 HB ILE 108 HB ILE 108 -3.842 6.083 -9.677 859 1HG1 ILE 108 2HG1 ILE 108 -3.929 5.231 -7.499 860 2HG1 ILE 108 1HG1 ILE 108 -3.361 3.876 -8.466 861 1HG2 ILE 108 1HG2 ILE 108 -2.303 5.607 -11.311 862 2HG2 ILE 108 2HG2 ILE 108 -2.393 4.080 -10.434 863 3HG2 ILE 108 3HG2 ILE 108 -1.042 5.180 -10.155 864 1HD1 ILE 108 1HD1 ILE 108 -1.685 3.663 -7.044 865 2HD1 ILE 108 2HD1 ILE 108 -2.137 5.156 -6.218 866 3HD1 ILE 108 3HD1 ILE 108 -1.061 5.211 -7.616 867 H SER 109 H SER 109 -4.264 8.198 -9.439 868 HA SER 109 HA SER 109 -3.771 9.119 -12.017 869 1HB SER 109 2HB SER 109 -6.023 8.974 -10.973 870 2HB SER 109 1HB SER 109 -5.626 10.384 -9.991 871 HG SER 109 HG SER 109 -5.530 10.396 -12.822 872 H ARG 110 H ARG 110 -2.858 10.470 -8.969 873 HA ARG 110 HA ARG 110 -2.299 13.078 -9.967 874 1HB ARG 110 2HB ARG 110 -2.391 13.503 -7.778 875 2HB ARG 110 1HB ARG 110 -2.367 11.786 -7.415 876 1HG ARG 110 2HG ARG 110 0.001 11.765 -7.264 877 2HG ARG 110 1HG ARG 110 0.121 13.396 -7.932 878 1HD ARG 110 2HD ARG 110 -1.210 14.173 -5.927 879 2HD ARG 110 1HD ARG 110 -0.957 12.566 -5.247 880 HE ARG 110 HE ARG 110 0.989 14.682 -5.491 881 1HH1 ARG 110 1HH1 ARG 110 0.487 11.254 -5.058 882 2HH1 ARG 110 2HH1 ARG 110 2.031 10.996 -4.318 883 1HH2 ARG 110 1HH2 ARG 110 3.020 14.342 -4.523 884 2HH2 ARG 110 2HH2 ARG 110 3.470 12.748 -4.017 885 H TYR 111 H TYR 111 -0.504 10.135 -9.522 886 HA TYR 111 HA TYR 111 2.053 11.319 -10.057 887 1HB TYR 111 2HB TYR 111 1.051 8.514 -9.738 888 2HB TYR 111 1HB TYR 111 2.654 8.797 -10.408 889 HD1 TYR 111 HD1 TYR 111 4.345 10.044 -9.023 890 HD2 TYR 111 HD2 TYR 111 0.654 8.673 -7.414 891 HE1 TYR 111 HE1 TYR 111 5.258 10.271 -6.752 892 HE2 TYR 111 HE2 TYR 111 1.557 8.896 -5.139 893 HH TYR 111 HH TYR 111 3.799 8.919 -4.040 894 H LYS 112 H LYS 112 -0.482 9.863 -11.904 895 HA LYS 112 HA LYS 112 1.044 9.493 -14.286 896 1HB LYS 112 2HB LYS 112 -1.926 9.486 -13.754 897 2HB LYS 112 1HB LYS 112 -1.226 9.161 -15.334 898 1HG LYS 112 2HG LYS 112 -0.453 7.110 -14.728 899 2HG LYS 112 1HG LYS 112 -0.238 7.568 -13.037 900 1HD LYS 112 2HD LYS 112 -2.058 5.970 -13.259 901 2HD LYS 112 1HD LYS 112 -2.674 7.536 -12.730 902 1HE LYS 112 2HE LYS 112 -4.049 6.431 -14.494 903 2HE LYS 112 1HE LYS 112 -3.473 8.041 -14.925 904 1HZ LYS 112 1HZ LYS 112 -3.239 6.434 -16.742 905 2HZ LYS 112 2HZ LYS 112 -2.203 5.498 -15.786 906 3HZ LYS 112 3HZ LYS 112 -1.743 7.056 -16.255 907 H ASP 113 H ASP 113 -0.908 12.043 -12.916 908 HA ASP 113 HA ASP 113 -1.381 13.580 -15.199 909 1HB ASP 113 2HB ASP 113 -2.403 13.961 -12.950 910 2HB ASP 113 1HB ASP 113 -0.863 14.623 -12.408 911 H ALA 114 H ALA 114 1.440 13.373 -13.109 912 HA ALA 114 HA ALA 114 2.834 15.609 -14.063 913 1HB ALA 114 1HB ALA 114 4.879 14.184 -13.325 914 2HB ALA 114 2HB ALA 114 3.652 13.074 -12.712 915 3HB ALA 114 3HB ALA 114 3.716 14.733 -12.118 916 H ASP 115 H ASP 115 2.516 12.353 -15.316 917 HA ASP 115 HA ASP 115 4.595 12.645 -17.274 918 1HB ASP 115 2HB ASP 115 2.403 10.587 -16.947 919 2HB ASP 115 1HB ASP 115 3.655 10.502 -18.183 Start of MODEL 20 1 HT1 PRO 1 HT2 PRO 1 -10.825 7.559 8.444 2 HT2 PRO 1 HT1 PRO 1 -9.988 8.757 7.564 3 HA PRO 1 HA PRO 1 -12.391 7.534 7.004 4 1HB PRO 1 2HB PRO 1 -12.913 10.424 6.901 5 2HB PRO 1 1HB PRO 1 -13.975 9.103 7.399 6 1HG PRO 1 2HG PRO 1 -12.856 10.824 9.173 7 2HG PRO 1 1HG PRO 1 -13.229 9.140 9.571 8 1HD PRO 1 2HD PRO 1 -10.592 10.408 8.960 9 2HD PRO 1 1HD PRO 1 -10.977 9.088 10.084 10 H SER 2 H SER 2 -12.182 7.203 4.884 11 HA SER 2 HA SER 2 -11.670 7.478 2.684 12 1HB SER 2 2HB SER 2 -12.738 9.743 3.041 13 2HB SER 2 1HB SER 2 -11.116 10.385 3.301 14 HG SER 2 HG SER 2 -12.371 9.872 0.990 15 H HIS 3 H HIS 3 -9.488 9.800 4.292 16 HA HIS 3 HA HIS 3 -7.230 8.509 2.949 17 1HB HIS 3 2HB HIS 3 -7.664 11.206 4.185 18 2HB HIS 3 1HB HIS 3 -6.026 10.592 3.982 19 HD1 HIS 3 HD1 HIS 3 -9.090 11.419 1.913 20 HD2 HIS 3 HD2 HIS 3 -4.990 10.903 1.475 21 HE1 HIS 3 HE1 HIS 3 -8.574 12.105 -0.451 22 HE2 HIS 3 HE2 HIS 3 -6.075 11.870 -0.664 23 H SER 4 H SER 4 -8.602 7.354 5.296 24 HA SER 4 HA SER 4 -6.348 6.462 6.713 25 1HB SER 4 2HB SER 4 -6.876 7.466 8.946 26 2HB SER 4 1HB SER 4 -6.302 8.639 7.760 27 HG SER 4 HG SER 4 -8.234 9.211 9.043 28 H GLY 5 H GLY 5 -6.900 4.457 7.180 29 1HA GLY 5 2HA GLY 5 -9.361 3.883 8.592 30 2HA GLY 5 1HA GLY 5 -9.283 3.221 6.964 31 H ALA 6 H ALA 6 -9.510 1.613 9.257 32 HA ALA 6 HA ALA 6 -6.972 0.646 10.080 33 1HB ALA 6 1HB ALA 6 -8.904 0.354 11.498 34 2HB ALA 6 2HB ALA 6 -8.206 -1.211 11.078 35 3HB ALA 6 3HB ALA 6 -9.676 -0.656 10.275 36 H ALA 7 H ALA 7 -5.760 -0.990 9.351 37 HA ALA 7 HA ALA 7 -6.742 -2.816 7.342 38 1HB ALA 7 1HB ALA 7 -5.044 -2.288 5.689 39 2HB ALA 7 2HB ALA 7 -4.431 -0.990 6.716 40 3HB ALA 7 3HB ALA 7 -6.046 -0.874 6.017 41 H ILE 8 H ILE 8 -5.541 -4.717 7.161 42 HA ILE 8 HA ILE 8 -3.598 -5.130 9.311 43 HB ILE 8 HB ILE 8 -4.817 -7.182 7.473 44 1HG1 ILE 8 2HG1 ILE 8 -5.671 -6.625 10.303 45 2HG1 ILE 8 1HG1 ILE 8 -6.457 -5.874 8.912 46 1HG2 ILE 8 1HG2 ILE 8 -3.857 -8.816 8.741 47 2HG2 ILE 8 2HG2 ILE 8 -3.807 -7.818 10.192 48 3HG2 ILE 8 3HG2 ILE 8 -2.631 -7.561 8.906 49 1HD1 ILE 8 1HD1 ILE 8 -7.322 -7.853 8.163 50 2HD1 ILE 8 2HD1 ILE 8 -7.416 -8.057 9.915 51 3HD1 ILE 8 3HD1 ILE 8 -6.110 -8.825 9.003 52 H PHE 9 H PHE 9 -1.549 -5.852 8.985 53 HA PHE 9 HA PHE 9 -0.629 -6.388 6.276 54 1HB PHE 9 2HB PHE 9 -0.267 -3.985 6.524 55 2HB PHE 9 1HB PHE 9 0.605 -4.254 8.026 56 HD1 PHE 9 HD1 PHE 9 2.860 -3.961 7.836 57 HD2 PHE 9 HD2 PHE 9 0.732 -5.659 4.570 58 HE1 PHE 9 HE1 PHE 9 4.966 -4.164 6.579 59 HE2 PHE 9 HE2 PHE 9 2.831 -5.868 3.304 60 HZ PHE 9 HZ PHE 9 4.953 -5.120 4.309 61 H GLU 10 H GLU 10 0.099 -8.380 6.564 62 HA GLU 10 HA GLU 10 1.543 -10.033 7.157 63 1HB GLU 10 2HB GLU 10 2.687 -8.157 9.221 64 2HB GLU 10 1HB GLU 10 3.420 -9.624 8.595 65 1HG GLU 10 2HG GLU 10 2.874 -7.127 7.008 66 2HG GLU 10 1HG GLU 10 4.439 -7.615 7.658 67 H LYS 11 H LYS 11 -0.973 -10.153 8.077 68 HA LYS 11 HA LYS 11 -2.301 -11.189 9.564 69 1HB LYS 11 2HB LYS 11 0.410 -12.168 10.257 70 2HB LYS 11 1HB LYS 11 -0.929 -12.585 11.321 71 1HG LYS 11 2HG LYS 11 -2.012 -13.813 9.670 72 2HG LYS 11 1HG LYS 11 -1.109 -13.028 8.371 73 1HD LYS 11 2HD LYS 11 -0.255 -15.247 8.603 74 2HD LYS 11 1HD LYS 11 0.956 -14.142 9.259 75 1HE LYS 11 2HE LYS 11 0.882 -15.799 10.869 76 2HE LYS 11 1HE LYS 11 -0.229 -14.595 11.522 77 1HZ LYS 11 1HZ LYS 11 -1.560 -16.384 11.710 78 2HZ LYS 11 2HZ LYS 11 -0.773 -17.258 10.495 79 3HZ LYS 11 3HZ LYS 11 -1.904 -16.068 10.084 80 H VAL 12 H VAL 12 -0.857 -8.482 10.272 81 HA VAL 12 HA VAL 12 -1.824 -8.462 13.025 82 HB VAL 12 HB VAL 12 0.508 -6.889 11.928 83 1HG1 VAL 12 1HG1 VAL 12 0.758 -5.947 14.133 84 2HG1 VAL 12 2HG1 VAL 12 -0.601 -6.899 14.731 85 3HG1 VAL 12 3HG1 VAL 12 -0.872 -5.618 13.549 86 1HG2 VAL 12 1HG2 VAL 12 0.281 -9.357 13.544 87 2HG2 VAL 12 2HG2 VAL 12 1.541 -8.208 13.996 88 3HG2 VAL 12 3HG2 VAL 12 1.502 -8.880 12.366 89 H SER 13 H SER 13 -3.215 -6.803 13.536 90 HA SER 13 HA SER 13 -4.044 -5.165 11.250 91 1HB SER 13 2HB SER 13 -5.596 -5.465 13.815 92 2HB SER 13 1HB SER 13 -6.190 -5.038 12.211 93 HG SER 13 HG SER 13 -6.608 -7.247 12.892 94 H GLY 14 H GLY 14 -4.329 -3.008 11.349 95 1HA GLY 14 2HA GLY 14 -3.898 -1.460 13.716 96 2HA GLY 14 1HA GLY 14 -2.510 -1.426 12.633 97 H ILE 15 H ILE 15 -3.456 0.967 12.926 98 HA ILE 15 HA ILE 15 -5.533 1.433 10.933 99 HB ILE 15 HB ILE 15 -4.306 3.196 13.030 100 1HG1 ILE 15 2HG1 ILE 15 -6.731 3.400 13.656 101 2HG1 ILE 15 1HG1 ILE 15 -7.096 2.222 12.394 102 1HG2 ILE 15 1HG2 ILE 15 -4.447 4.688 11.203 103 2HG2 ILE 15 2HG2 ILE 15 -5.911 4.962 12.148 104 3HG2 ILE 15 3HG2 ILE 15 -5.984 4.006 10.666 105 1HD1 ILE 15 1HD1 ILE 15 -6.184 0.485 13.562 106 2HD1 ILE 15 2HD1 ILE 15 -6.820 1.475 14.876 107 3HD1 ILE 15 3HD1 ILE 15 -5.100 1.525 14.486 108 H ILE 16 H ILE 16 -5.173 2.146 8.983 109 HA ILE 16 HA ILE 16 -2.433 2.802 8.203 110 HB ILE 16 HB ILE 16 -4.637 1.333 7.005 111 1HG1 ILE 16 2HG1 ILE 16 -1.694 1.615 6.388 112 2HG1 ILE 16 1HG1 ILE 16 -2.471 0.370 7.356 113 1HG2 ILE 16 1HG2 ILE 16 -3.363 3.497 5.337 114 2HG2 ILE 16 2HG2 ILE 16 -5.079 3.211 5.619 115 3HG2 ILE 16 3HG2 ILE 16 -4.146 2.077 4.645 116 1HD1 ILE 16 1HD1 ILE 16 -2.740 -0.889 5.564 117 2HD1 ILE 16 2HD1 ILE 16 -1.900 0.329 4.605 118 3HD1 ILE 16 3HD1 ILE 16 -3.654 0.391 4.768 119 H ALA 17 H ALA 17 -1.918 4.852 7.853 120 HA ALA 17 HA ALA 17 -4.057 6.754 7.145 121 1HB ALA 17 1HB ALA 17 -3.185 7.236 9.344 122 2HB ALA 17 2HB ALA 17 -2.672 8.494 8.221 123 3HB ALA 17 3HB ALA 17 -1.535 7.243 8.724 124 H ILE 18 H ILE 18 -3.698 8.210 5.494 125 HA ILE 18 HA ILE 18 -1.373 7.614 3.804 126 HB ILE 18 HB ILE 18 -4.189 8.268 3.252 127 1HG1 ILE 18 2HG1 ILE 18 -2.028 6.893 1.647 128 2HG1 ILE 18 1HG1 ILE 18 -3.156 6.098 2.739 129 1HG2 ILE 18 1HG2 ILE 18 -3.346 10.326 2.431 130 2HG2 ILE 18 2HG2 ILE 18 -3.631 9.290 1.032 131 3HG2 ILE 18 3HG2 ILE 18 -1.991 9.530 1.634 132 1HD1 ILE 18 1HD1 ILE 18 -4.821 7.472 1.057 133 2HD1 ILE 18 2HD1 ILE 18 -4.396 5.765 0.925 134 3HD1 ILE 18 3HD1 ILE 18 -3.510 6.969 -0.010 135 H ASN 19 H ASN 19 0.227 9.038 3.848 136 HA ASN 19 HA ASN 19 -0.353 11.810 4.627 137 1HB ASN 19 2HB ASN 19 2.244 10.259 4.615 138 2HB ASN 19 1HB ASN 19 2.104 11.963 5.041 139 1HD2 ASN 19 1HD2 ASN 19 -0.070 12.094 6.580 140 2HD2 ASN 19 2HD2 ASN 19 0.115 11.130 8.001 141 H GLU 20 H GLU 20 -0.696 13.084 2.938 142 HA GLU 20 HA GLU 20 0.919 12.682 0.514 143 1HB GLU 20 2HB GLU 20 -1.665 14.223 0.834 144 2HB GLU 20 1HB GLU 20 -0.815 13.923 -0.676 145 1HG GLU 20 2HG GLU 20 -2.018 11.801 1.087 146 2HG GLU 20 1HG GLU 20 -2.761 12.462 -0.369 147 H ASP 21 H ASP 21 0.676 14.627 3.226 148 HA ASP 21 HA ASP 21 1.137 17.198 2.261 149 1HB ASP 21 2HB ASP 21 2.030 15.880 4.827 150 2HB ASP 21 1HB ASP 21 2.201 17.604 4.504 151 H VAL 22 H VAL 22 3.207 14.461 2.281 152 HA VAL 22 HA VAL 22 5.560 16.122 1.898 153 HB VAL 22 HB VAL 22 5.420 13.986 3.409 154 1HG1 VAL 22 1HG1 VAL 22 5.648 11.937 2.489 155 2HG1 VAL 22 2HG1 VAL 22 6.532 12.544 1.089 156 3HG1 VAL 22 3HG1 VAL 22 4.778 12.712 1.165 157 1HG2 VAL 22 1HG2 VAL 22 7.595 14.350 3.630 158 2HG2 VAL 22 2HG2 VAL 22 7.476 15.446 2.254 159 3HG2 VAL 22 3HG2 VAL 22 7.923 13.759 2.000 160 H SER 23 H SER 23 7.031 14.320 0.311 161 HA SER 23 HA SER 23 5.630 13.671 -2.077 162 1HB SER 23 2HB SER 23 7.244 15.441 -3.332 163 2HB SER 23 1HB SER 23 5.576 15.796 -2.884 164 HG SER 23 HG SER 23 7.853 16.373 -1.291 165 HA PRO 24 HA PRO 24 5.714 12.182 -3.392 166 1HB PRO 24 2HB PRO 24 5.972 9.489 -3.253 167 2HB PRO 24 1HB PRO 24 6.681 10.450 -4.558 168 1HG PRO 24 2HG PRO 24 7.978 9.355 -2.090 169 2HG PRO 24 1HG PRO 24 8.584 9.374 -3.757 170 1HD PRO 24 2HD PRO 24 9.387 11.163 -1.886 171 2HD PRO 24 1HD PRO 24 9.276 11.567 -3.611 172 H ALA 25 H ALA 25 3.797 11.390 -2.485 173 HA ALA 25 HA ALA 25 3.432 11.677 0.253 174 1HB ALA 25 1HB ALA 25 1.550 11.849 -1.188 175 2HB ALA 25 2HB ALA 25 1.256 10.467 -0.132 176 3HB ALA 25 3HB ALA 25 1.780 10.209 -1.796 177 H GLU 26 H GLU 26 2.447 9.846 1.671 178 HA GLU 26 HA GLU 26 3.796 7.287 1.251 179 1HB GLU 26 2HB GLU 26 4.141 8.949 3.751 180 2HB GLU 26 1HB GLU 26 4.703 7.295 3.549 181 1HG GLU 26 2HG GLU 26 6.159 8.040 1.710 182 2HG GLU 26 1HG GLU 26 5.634 9.698 1.997 183 H LEU 27 H LEU 27 3.091 5.608 2.746 184 HA LEU 27 HA LEU 27 0.380 6.083 3.804 185 1HB LEU 27 2HB LEU 27 0.073 4.771 1.866 186 2HB LEU 27 1HB LEU 27 1.472 3.776 2.215 187 HG LEU 27 HG LEU 27 0.176 2.907 4.230 188 1HD1 LEU 27 1HD1 LEU 27 -1.885 4.588 2.905 189 2HD1 LEU 27 2HD1 LEU 27 -1.581 4.313 4.620 190 3HD1 LEU 27 3HD1 LEU 27 -2.379 3.071 3.654 191 1HD2 LEU 27 1HD2 LEU 27 0.402 1.373 2.527 192 2HD2 LEU 27 2HD2 LEU 27 -0.487 2.365 1.371 193 3HD2 LEU 27 3HD2 LEU 27 -1.351 1.514 2.652 194 H THR 28 H THR 28 0.633 6.113 5.976 195 HA THR 28 HA THR 28 2.595 4.452 7.257 196 HB THR 28 HB THR 28 0.774 6.000 8.918 197 HG1 THR 28 HG1 THR 28 0.669 7.661 7.661 198 1HG2 THR 28 1HG2 THR 28 2.797 6.960 9.784 199 2HG2 THR 28 2HG2 THR 28 3.718 6.251 8.459 200 3HG2 THR 28 3HG2 THR 28 2.967 5.208 9.667 201 H TRP 29 H TRP 29 2.159 2.893 8.782 202 HA TRP 29 HA TRP 29 -0.613 2.042 9.151 203 1HB TRP 29 2HB TRP 29 0.343 0.581 7.434 204 2HB TRP 29 1HB TRP 29 1.716 0.226 8.483 205 HD1 TRP 29 HD1 TRP 29 -2.099 0.108 9.115 206 HE1 TRP 29 HE1 TRP 29 -2.676 -2.190 10.144 207 HE3 TRP 29 HE3 TRP 29 2.573 -1.963 9.142 208 HZ2 TRP 29 HZ2 TRP 29 -1.322 -4.535 10.866 209 HZ3 TRP 29 HZ3 TRP 29 2.843 -4.246 10.028 210 HH2 TRP 29 HH2 TRP 29 0.924 -5.511 10.868 211 H ARG 30 H ARG 30 -0.943 2.311 11.267 212 HA ARG 30 HA ARG 30 1.244 1.637 13.116 213 1HB ARG 30 2HB ARG 30 0.178 3.928 13.225 214 2HB ARG 30 1HB ARG 30 -1.304 3.140 13.751 215 1HG ARG 30 2HG ARG 30 -0.236 2.340 15.746 216 2HG ARG 30 1HG ARG 30 1.330 2.940 15.195 217 1HD ARG 30 2HD ARG 30 0.443 5.234 15.238 218 2HD ARG 30 1HD ARG 30 -1.095 4.615 15.841 219 HE ARG 30 HE ARG 30 1.348 4.974 17.332 220 1HH1 ARG 30 1HH1 ARG 30 -1.738 3.345 17.199 221 2HH1 ARG 30 2HH1 ARG 30 -1.807 3.074 18.907 222 1HH2 ARG 30 1HH2 ARG 30 1.256 4.616 19.578 223 2HH2 ARG 30 2HH2 ARG 30 -0.109 3.795 20.258 224 H SER 31 H SER 31 1.096 -0.175 14.327 225 HA SER 31 HA SER 31 -0.955 -2.032 13.937 226 1HB SER 31 2HB SER 31 0.087 -3.297 15.771 227 2HB SER 31 1HB SER 31 1.304 -2.673 14.657 228 HG SER 31 HG SER 31 1.200 -2.316 17.247 229 H THR 32 H THR 32 -2.383 -2.942 15.583 230 HA THR 32 HA THR 32 -4.105 -1.035 16.675 231 HB THR 32 HB THR 32 -3.759 -3.972 16.730 232 HG1 THR 32 HG1 THR 32 -5.088 -2.720 15.223 233 1HG2 THR 32 1HG2 THR 32 -4.203 -3.690 19.037 234 2HG2 THR 32 2HG2 THR 32 -5.670 -4.271 18.249 235 3HG2 THR 32 3HG2 THR 32 -5.524 -2.573 18.702 236 H ASP 33 H ASP 33 -1.394 -2.780 17.922 237 HA ASP 33 HA ASP 33 -1.826 -2.208 20.670 238 1HB ASP 33 2HB ASP 33 0.666 -3.054 19.191 239 2HB ASP 33 1HB ASP 33 0.549 -2.939 20.945 240 H GLY 34 H GLY 34 -0.166 -0.611 18.072 241 1HA GLY 34 2HA GLY 34 0.404 1.638 17.928 242 2HA GLY 34 1HA GLY 34 -0.001 1.822 19.630 243 H ASP 35 H ASP 35 2.113 -0.717 18.608 244 HA ASP 35 HA ASP 35 4.363 0.721 19.832 245 1HB ASP 35 2HB ASP 35 3.789 -2.241 19.706 246 2HB ASP 35 1HB ASP 35 5.299 -1.557 20.300 247 H LYS 36 H LYS 36 3.204 -0.721 16.961 248 HA LYS 36 HA LYS 36 5.867 -0.414 15.747 249 1HB LYS 36 2HB LYS 36 4.091 -2.747 15.757 250 2HB LYS 36 1HB LYS 36 4.631 -2.282 14.150 251 1HG LYS 36 2HG LYS 36 6.964 -2.365 14.943 252 2HG LYS 36 1HG LYS 36 6.382 -2.926 16.511 253 1HD LYS 36 2HD LYS 36 5.352 -4.875 15.393 254 2HD LYS 36 1HD LYS 36 6.036 -4.326 13.861 255 1HE LYS 36 2HE LYS 36 8.297 -4.465 14.901 256 2HE LYS 36 1HE LYS 36 7.545 -5.183 16.326 257 1HZ LYS 36 1HZ LYS 36 8.516 -6.630 14.354 258 2HZ LYS 36 2HZ LYS 36 6.952 -6.418 13.751 259 3HZ LYS 36 3HZ LYS 36 7.183 -7.133 15.266 260 H VAL 37 H VAL 37 5.939 0.861 14.017 261 HA VAL 37 HA VAL 37 3.417 1.496 12.635 262 HB VAL 37 HB VAL 37 5.619 3.489 13.171 263 1HG1 VAL 37 1HG1 VAL 37 3.920 5.125 12.439 264 2HG1 VAL 37 2HG1 VAL 37 2.835 3.789 12.052 265 3HG1 VAL 37 3HG1 VAL 37 4.352 3.977 11.172 266 1HG2 VAL 37 1HG2 VAL 37 3.269 2.700 14.773 267 2HG2 VAL 37 2HG2 VAL 37 3.540 4.433 14.587 268 3HG2 VAL 37 3HG2 VAL 37 4.802 3.412 15.278 269 H HIS 38 H HIS 38 3.494 1.018 10.552 270 HA HIS 38 HA HIS 38 6.132 0.863 9.246 271 1HB HIS 38 2HB HIS 38 4.881 -1.252 9.289 272 2HB HIS 38 1HB HIS 38 3.559 -0.475 8.430 273 HD1 HIS 38 HD1 HIS 38 6.306 -2.599 7.794 274 HD2 HIS 38 HD2 HIS 38 4.660 0.671 5.826 275 HE1 HIS 38 HE1 HIS 38 7.120 -2.762 5.419 276 HE2 HIS 38 HE2 HIS 38 6.044 -0.819 4.230 277 H THR 39 H THR 39 6.508 1.843 7.342 278 HA THR 39 HA THR 39 4.418 3.682 6.361 279 HB THR 39 HB THR 39 7.401 4.175 6.274 280 HG1 THR 39 HG1 THR 39 6.579 4.194 8.422 281 1HG2 THR 39 1HG2 THR 39 5.131 6.110 5.902 282 2HG2 THR 39 2HG2 THR 39 6.062 5.390 4.588 283 3HG2 THR 39 3HG2 THR 39 6.857 6.445 5.758 284 H VAL 40 H VAL 40 3.938 3.602 4.245 285 HA VAL 40 HA VAL 40 5.677 1.974 2.507 286 HB VAL 40 HB VAL 40 2.686 2.246 2.224 287 1HG1 VAL 40 1HG1 VAL 40 3.269 1.552 0.159 288 2HG1 VAL 40 2HG1 VAL 40 3.357 -0.026 0.945 289 3HG1 VAL 40 3HG1 VAL 40 4.826 0.918 0.694 290 1HG2 VAL 40 1HG2 VAL 40 3.406 1.077 4.330 291 2HG2 VAL 40 2HG2 VAL 40 4.164 -0.141 3.305 292 3HG2 VAL 40 3HG2 VAL 40 2.421 0.113 3.230 293 H VAL 41 H VAL 41 6.014 2.654 0.406 294 HA VAL 41 HA VAL 41 5.491 5.484 -0.069 295 HB VAL 41 HB VAL 41 7.135 3.574 -1.737 296 1HG1 VAL 41 1HG1 VAL 41 6.638 5.409 -3.085 297 2HG1 VAL 41 2HG1 VAL 41 8.211 5.811 -2.399 298 3HG1 VAL 41 3HG1 VAL 41 6.749 6.547 -1.743 299 1HG2 VAL 41 1HG2 VAL 41 7.745 5.037 0.753 300 2HG2 VAL 41 2HG2 VAL 41 8.963 5.123 -0.519 301 3HG2 VAL 41 3HG2 VAL 41 8.448 3.555 0.103 302 H LEU 42 H LEU 42 3.828 6.125 -1.260 303 HA LEU 42 HA LEU 42 2.300 4.205 -2.781 304 1HB LEU 42 2HB LEU 42 1.826 7.167 -2.502 305 2HB LEU 42 1HB LEU 42 0.675 5.960 -3.041 306 HG LEU 42 HG LEU 42 1.759 6.349 -0.256 307 1HD1 LEU 42 1HD1 LEU 42 -0.389 6.966 0.344 308 2HD1 LEU 42 2HD1 LEU 42 -1.114 6.206 -1.074 309 3HD1 LEU 42 3HD1 LEU 42 -0.204 7.706 -1.246 310 1HD2 LEU 42 1HD2 LEU 42 0.727 3.935 -1.538 311 2HD2 LEU 42 2HD2 LEU 42 -0.146 4.385 -0.073 312 3HD2 LEU 42 3HD2 LEU 42 1.598 4.129 -0.016 313 H SER 43 H SER 43 4.880 6.278 -3.457 314 HA SER 43 HA SER 43 4.148 6.947 -6.150 315 1HB SER 43 2HB SER 43 6.438 7.804 -6.338 316 2HB SER 43 1HB SER 43 5.684 8.372 -4.849 317 HG SER 43 HG SER 43 7.928 7.454 -4.777 318 H THR 44 H THR 44 5.789 4.339 -4.545 319 HA THR 44 HA THR 44 6.960 3.284 -6.945 320 HB THR 44 HB THR 44 7.984 2.962 -4.702 321 HG1 THR 44 HG1 THR 44 8.688 0.971 -5.189 322 1HG2 THR 44 1HG2 THR 44 6.950 2.039 -2.978 323 2HG2 THR 44 2HG2 THR 44 6.420 0.665 -3.948 324 3HG2 THR 44 3HG2 THR 44 5.456 2.140 -3.911 325 H ILE 45 H ILE 45 3.956 3.013 -5.308 326 HA ILE 45 HA ILE 45 3.111 0.479 -6.176 327 HB ILE 45 HB ILE 45 1.353 2.889 -5.713 328 1HG1 ILE 45 2HG1 ILE 45 2.786 2.575 -3.782 329 2HG1 ILE 45 1HG1 ILE 45 1.161 2.031 -3.388 330 1HG2 ILE 45 1HG2 ILE 45 0.742 -0.049 -5.429 331 2HG2 ILE 45 2HG2 ILE 45 0.296 0.940 -6.819 332 3HG2 ILE 45 3HG2 ILE 45 -0.383 1.294 -5.230 333 1HD1 ILE 45 1HD1 ILE 45 2.070 -0.304 -4.073 334 2HD1 ILE 45 2HD1 ILE 45 2.459 0.367 -2.489 335 3HD1 ILE 45 3HD1 ILE 45 3.644 0.439 -3.793 336 H ASP 46 H ASP 46 3.603 0.119 -8.314 337 HA ASP 46 HA ASP 46 3.059 1.878 -10.435 338 1HB ASP 46 2HB ASP 46 4.602 -0.105 -10.510 339 2HB ASP 46 1HB ASP 46 3.179 -1.139 -10.593 340 H LYS 47 H LYS 47 1.057 -0.439 -8.749 341 HA LYS 47 HA LYS 47 -1.289 0.616 -10.055 342 1HB LYS 47 2HB LYS 47 -0.557 -2.299 -10.389 343 2HB LYS 47 1HB LYS 47 -2.111 -1.595 -10.816 344 1HG LYS 47 2HG LYS 47 -0.886 -0.086 -12.399 345 2HG LYS 47 1HG LYS 47 0.563 -1.038 -12.073 346 1HD LYS 47 2HD LYS 47 -2.032 -2.152 -13.133 347 2HD LYS 47 1HD LYS 47 -0.628 -1.751 -14.124 348 1HE LYS 47 2HE LYS 47 -0.526 -3.691 -11.824 349 2HE LYS 47 1HE LYS 47 -0.866 -4.179 -13.484 350 1HZ LYS 47 1HZ LYS 47 1.565 -2.656 -12.750 351 2HZ LYS 47 2HZ LYS 47 1.261 -3.516 -14.176 352 3HZ LYS 47 3HZ LYS 47 1.517 -4.348 -12.727 353 H LEU 48 H LEU 48 -3.300 -0.320 -9.144 354 HA LEU 48 HA LEU 48 -2.869 -1.277 -6.391 355 1HB LEU 48 2HB LEU 48 -4.555 0.897 -7.471 356 2HB LEU 48 1HB LEU 48 -5.301 -0.107 -6.242 357 HG LEU 48 HG LEU 48 -3.034 0.390 -4.958 358 1HD1 LEU 48 1HD1 LEU 48 -3.358 2.965 -6.448 359 2HD1 LEU 48 2HD1 LEU 48 -2.267 1.706 -7.032 360 3HD1 LEU 48 3HD1 LEU 48 -2.016 2.420 -5.439 361 1HD2 LEU 48 1HD2 LEU 48 -5.606 1.137 -4.668 362 2HD2 LEU 48 2HD2 LEU 48 -4.848 2.711 -4.911 363 3HD2 LEU 48 3HD2 LEU 48 -4.306 1.664 -3.600 364 H GLN 49 H GLN 49 -3.673 -3.223 -6.004 365 HA GLN 49 HA GLN 49 -5.878 -4.197 -7.700 366 1HB GLN 49 2HB GLN 49 -3.641 -5.736 -6.374 367 2HB GLN 49 1HB GLN 49 -5.009 -6.485 -7.184 368 1HG GLN 49 2HG GLN 49 -4.349 -5.455 -9.284 369 2HG GLN 49 1HG GLN 49 -2.999 -4.657 -8.480 370 1HE2 GLN 49 1HE2 GLN 49 -2.622 -6.277 -10.669 371 2HE2 GLN 49 2HE2 GLN 49 -1.782 -7.709 -10.186 372 H ALA 50 H ALA 50 -7.584 -5.293 -6.741 373 HA ALA 50 HA ALA 50 -7.605 -5.507 -3.823 374 1HB ALA 50 1HB ALA 50 -8.563 -3.303 -4.399 375 2HB ALA 50 2HB ALA 50 -9.725 -4.375 -3.615 376 3HB ALA 50 3HB ALA 50 -9.796 -4.120 -5.359 377 H THR 51 H THR 51 -9.338 -6.853 -3.001 378 HA THR 51 HA THR 51 -9.731 -9.172 -4.603 379 HB THR 51 HB THR 51 -11.227 -9.866 -2.655 380 HG1 THR 51 HG1 THR 51 -11.854 -8.109 -1.629 381 1HG2 THR 51 1HG2 THR 51 -9.406 -10.137 -1.063 382 2HG2 THR 51 2HG2 THR 51 -8.426 -8.996 -1.986 383 3HG2 THR 51 3HG2 THR 51 -8.895 -10.537 -2.703 384 HA PRO 52 HA PRO 52 -13.491 -8.048 -6.649 385 1HB PRO 52 2HB PRO 52 -14.452 -10.514 -7.239 386 2HB PRO 52 1HB PRO 52 -13.075 -9.796 -8.083 387 1HG PRO 52 2HG PRO 52 -13.099 -11.796 -5.857 388 2HG PRO 52 1HG PRO 52 -12.104 -11.768 -7.324 389 1HD PRO 52 2HD PRO 52 -11.178 -10.951 -4.910 390 2HD PRO 52 1HD PRO 52 -10.622 -10.241 -6.440 391 H ALA 53 H ALA 53 -15.823 -8.258 -6.496 392 HA ALA 53 HA ALA 53 -16.735 -8.277 -3.809 393 1HB ALA 53 1HB ALA 53 -18.053 -6.861 -4.966 394 2HB ALA 53 2HB ALA 53 -19.033 -8.308 -5.205 395 3HB ALA 53 3HB ALA 53 -17.915 -7.782 -6.463 396 H SER 54 H SER 54 -16.223 -10.795 -6.012 397 HA SER 54 HA SER 54 -18.312 -12.508 -4.938 398 1HB SER 54 2HB SER 54 -17.585 -12.484 -7.387 399 2HB SER 54 1HB SER 54 -16.129 -13.324 -6.852 400 HG SER 54 HG SER 54 -17.286 -15.063 -6.970 401 H SER 55 H SER 55 -15.379 -11.546 -3.846 402 HA SER 55 HA SER 55 -14.703 -14.163 -2.690 403 1HB SER 55 2HB SER 55 -13.041 -12.467 -3.988 404 2HB SER 55 1HB SER 55 -12.839 -11.892 -2.333 405 HG SER 55 HG SER 55 -11.387 -13.615 -2.985 406 H GLU 56 H GLU 56 -15.459 -14.490 -0.724 407 HA GLU 56 HA GLU 56 -16.585 -12.540 0.921 408 1HB GLU 56 2HB GLU 56 -15.447 -15.246 1.641 409 2HB GLU 56 1HB GLU 56 -16.424 -14.261 2.723 410 1HG GLU 56 2HG GLU 56 -17.314 -15.377 0.074 411 2HG GLU 56 1HG GLU 56 -17.738 -16.014 1.661 412 H LYS 57 H LYS 57 -13.312 -13.334 0.356 413 HA LYS 57 HA LYS 57 -12.379 -12.157 2.853 414 1HB LYS 57 2HB LYS 57 -10.796 -13.229 0.510 415 2HB LYS 57 1HB LYS 57 -10.143 -12.768 2.075 416 1HG LYS 57 2HG LYS 57 -12.110 -14.998 1.603 417 2HG LYS 57 1HG LYS 57 -10.371 -15.197 1.825 418 1HD LYS 57 2HD LYS 57 -10.605 -14.094 4.053 419 2HD LYS 57 1HD LYS 57 -12.355 -14.118 3.825 420 1HE LYS 57 2HE LYS 57 -10.601 -16.569 3.769 421 2HE LYS 57 1HE LYS 57 -11.466 -16.005 5.197 422 1HZ LYS 57 1HZ LYS 57 -13.011 -16.386 2.746 423 2HZ LYS 57 2HZ LYS 57 -13.458 -16.644 4.356 424 3HZ LYS 57 3HZ LYS 57 -12.488 -17.777 3.556 425 H MET 58 H MET 58 -12.304 -10.019 2.990 426 HA MET 58 HA MET 58 -11.923 -8.413 0.585 427 1HB MET 58 2HB MET 58 -12.347 -6.499 2.241 428 2HB MET 58 1HB MET 58 -13.691 -7.572 1.876 429 1HG MET 58 2HG MET 58 -13.450 -8.709 3.948 430 2HG MET 58 1HG MET 58 -11.925 -7.894 4.285 431 1HE MET 58 1HE MET 58 -15.122 -6.728 6.646 432 2HE MET 58 2HE MET 58 -13.657 -7.708 6.720 433 3HE MET 58 3HE MET 58 -15.018 -8.230 5.727 434 H MET 59 H MET 59 -9.885 -8.078 -0.002 435 HA MET 59 HA MET 59 -8.013 -7.029 1.978 436 1HB MET 59 2HB MET 59 -7.372 -9.360 0.160 437 2HB MET 59 1HB MET 59 -6.213 -8.522 1.182 438 1HG MET 59 2HG MET 59 -7.551 -9.197 3.158 439 2HG MET 59 1HG MET 59 -8.579 -10.144 2.084 440 1HE MET 59 1HE MET 59 -7.907 -11.466 4.200 441 2HE MET 59 2HE MET 59 -6.414 -12.388 4.385 442 3HE MET 59 3HE MET 59 -7.668 -12.953 3.281 443 H LEU 60 H LEU 60 -6.329 -5.762 1.092 444 HA LEU 60 HA LEU 60 -6.773 -4.996 -1.721 445 1HB LEU 60 2HB LEU 60 -6.760 -3.440 0.657 446 2HB LEU 60 1HB LEU 60 -5.354 -2.974 -0.280 447 HG LEU 60 HG LEU 60 -7.370 -1.582 -0.709 448 1HD1 LEU 60 1HD1 LEU 60 -7.268 -2.237 -3.330 449 2HD1 LEU 60 2HD1 LEU 60 -5.797 -3.009 -2.738 450 3HD1 LEU 60 3HD1 LEU 60 -6.044 -1.280 -2.496 451 1HD2 LEU 60 1HD2 LEU 60 -9.254 -2.445 -1.857 452 2HD2 LEU 60 2HD2 LEU 60 -8.966 -3.518 -0.487 453 3HD2 LEU 60 3HD2 LEU 60 -8.472 -4.006 -2.108 454 H ARG 61 H ARG 61 -5.118 -5.210 -3.091 455 HA ARG 61 HA ARG 61 -2.446 -5.745 -1.969 456 1HB ARG 61 2HB ARG 61 -3.586 -7.647 -3.164 457 2HB ARG 61 1HB ARG 61 -3.504 -6.688 -4.634 458 1HG ARG 61 2HG ARG 61 -1.057 -6.649 -4.458 459 2HG ARG 61 1HG ARG 61 -1.159 -7.650 -3.009 460 1HD ARG 61 2HD ARG 61 -2.456 -9.304 -4.466 461 2HD ARG 61 1HD ARG 61 -1.864 -8.368 -5.838 462 HE ARG 61 HE ARG 61 0.223 -9.177 -4.049 463 1HH1 ARG 61 1HH1 ARG 61 -1.756 -10.184 -6.742 464 2HH1 ARG 61 2HH1 ARG 61 -0.612 -11.355 -7.306 465 1HH2 ARG 61 1HH2 ARG 61 1.728 -10.717 -4.789 466 2HH2 ARG 61 2HH2 ARG 61 1.367 -11.658 -6.196 467 H LEU 62 H LEU 62 -0.732 -4.610 -2.680 468 HA LEU 62 HA LEU 62 -1.205 -2.658 -4.840 469 1HB LEU 62 2HB LEU 62 -0.360 -2.249 -2.092 470 2HB LEU 62 1HB LEU 62 0.801 -1.592 -3.230 471 HG LEU 62 HG LEU 62 -1.078 -0.338 -4.314 472 1HD1 LEU 62 1HD1 LEU 62 -3.058 -0.026 -2.662 473 2HD1 LEU 62 2HD1 LEU 62 -2.568 -1.608 -2.057 474 3HD1 LEU 62 3HD1 LEU 62 -3.039 -1.417 -3.746 475 1HD2 LEU 62 1HD2 LEU 62 -0.696 1.439 -2.974 476 2HD2 LEU 62 2HD2 LEU 62 0.481 0.352 -2.235 477 3HD2 LEU 62 3HD2 LEU 62 -1.111 0.558 -1.504 478 H ILE 63 H ILE 63 0.181 -2.687 -6.458 479 HA ILE 63 HA ILE 63 2.548 -4.410 -6.236 480 HB ILE 63 HB ILE 63 1.484 -3.275 -8.808 481 1HG1 ILE 63 2HG1 ILE 63 -0.420 -4.381 -7.830 482 2HG1 ILE 63 1HG1 ILE 63 0.239 -5.432 -9.079 483 1HG2 ILE 63 1HG2 ILE 63 3.771 -4.509 -8.420 484 2HG2 ILE 63 2HG2 ILE 63 2.801 -4.821 -9.860 485 3HG2 ILE 63 3HG2 ILE 63 2.754 -5.948 -8.504 486 1HD1 ILE 63 1HD1 ILE 63 1.537 -6.217 -6.760 487 2HD1 ILE 63 2HD1 ILE 63 0.211 -7.050 -7.571 488 3HD1 ILE 63 3HD1 ILE 63 -0.128 -5.916 -6.264 489 H GLY 64 H GLY 64 4.545 -3.581 -6.246 490 1HA GLY 64 2HA GLY 64 4.857 -0.702 -6.480 491 2HA GLY 64 1HA GLY 64 6.087 -1.846 -5.967 492 H LYS 65 H LYS 65 7.137 -0.109 -7.517 493 HA LYS 65 HA LYS 65 6.800 -0.471 -10.308 494 1HB LYS 65 2HB LYS 65 8.637 1.002 -8.536 495 2HB LYS 65 1HB LYS 65 9.325 0.533 -10.086 496 1HG LYS 65 2HG LYS 65 7.477 1.640 -11.240 497 2HG LYS 65 1HG LYS 65 6.798 2.119 -9.682 498 1HD LYS 65 2HD LYS 65 8.911 3.346 -9.208 499 2HD LYS 65 1HD LYS 65 9.452 2.961 -10.844 500 1HE LYS 65 2HE LYS 65 8.501 4.912 -11.402 501 2HE LYS 65 1HE LYS 65 6.983 4.019 -11.310 502 1HZ LYS 65 1HZ LYS 65 8.084 6.005 -9.490 503 2HZ LYS 65 2HZ LYS 65 7.268 4.708 -8.773 504 3HZ LYS 65 3HZ LYS 65 6.474 5.687 -9.901 505 H VAL 66 H VAL 66 8.521 -1.240 -11.775 506 HA VAL 66 HA VAL 66 9.549 -3.806 -10.812 507 HB VAL 66 HB VAL 66 8.163 -3.813 -12.849 508 1HG1 VAL 66 1HG1 VAL 66 9.994 -1.688 -13.618 509 2HG1 VAL 66 2HG1 VAL 66 8.394 -2.087 -14.243 510 3HG1 VAL 66 3HG1 VAL 66 9.818 -2.921 -14.866 511 1HG2 VAL 66 1HG2 VAL 66 10.260 -5.335 -12.371 512 2HG2 VAL 66 2HG2 VAL 66 10.890 -4.529 -13.809 513 3HG2 VAL 66 3HG2 VAL 66 9.383 -5.443 -13.897 514 H ASP 67 H ASP 67 10.984 -1.701 -9.824 515 HA ASP 67 HA ASP 67 13.224 -1.040 -11.474 516 1HB ASP 67 2HB ASP 67 12.764 -0.748 -8.498 517 2HB ASP 67 1HB ASP 67 14.178 -0.125 -9.344 518 H GLU 68 H GLU 68 14.784 -2.410 -12.001 519 HA GLU 68 HA GLU 68 15.493 -4.543 -10.103 520 1HB GLU 68 2HB GLU 68 16.228 -5.863 -11.980 521 2HB GLU 68 1HB GLU 68 14.598 -5.286 -12.303 522 1HG GLU 68 2HG GLU 68 15.570 -3.474 -13.689 523 2HG GLU 68 1HG GLU 68 17.160 -4.199 -13.448 524 H SER 69 H SER 69 16.511 -1.923 -9.840 525 HA SER 69 HA SER 69 19.028 -1.548 -11.016 526 1HB SER 69 2HB SER 69 18.090 -0.572 -8.311 527 2HB SER 69 1HB SER 69 19.431 0.087 -9.247 528 HG SER 69 HG SER 69 17.914 0.671 -10.857 529 H LYS 70 H LYS 70 17.998 -3.517 -8.372 530 HA LYS 70 HA LYS 70 20.442 -3.876 -7.044 531 1HB LYS 70 2HB LYS 70 18.079 -5.738 -7.327 532 2HB LYS 70 1HB LYS 70 19.424 -6.012 -6.228 533 1HG LYS 70 2HG LYS 70 18.892 -3.929 -5.061 534 2HG LYS 70 1HG LYS 70 17.535 -3.666 -6.160 535 1HD LYS 70 2HD LYS 70 16.627 -4.613 -4.186 536 2HD LYS 70 1HD LYS 70 16.638 -5.898 -5.396 537 1HE LYS 70 2HE LYS 70 17.567 -7.076 -3.705 538 2HE LYS 70 1HE LYS 70 19.044 -6.311 -4.289 539 1HZ LYS 70 1HZ LYS 70 17.349 -5.258 -2.089 540 2HZ LYS 70 2HZ LYS 70 18.826 -4.619 -2.611 541 3HZ LYS 70 3HZ LYS 70 18.776 -6.140 -1.872 542 H LYS 71 H LYS 71 19.050 -5.467 -9.859 543 HA LYS 71 HA LYS 71 21.465 -7.120 -10.104 544 1HB LYS 71 2HB LYS 71 18.662 -7.402 -11.117 545 2HB LYS 71 1HB LYS 71 19.975 -8.203 -11.970 546 1HG LYS 71 2HG LYS 71 19.132 -9.809 -10.495 547 2HG LYS 71 1HG LYS 71 20.609 -9.219 -9.730 548 1HD LYS 71 2HD LYS 71 19.266 -7.724 -8.318 549 2HD LYS 71 1HD LYS 71 17.796 -8.343 -9.072 550 1HE LYS 71 2HE LYS 71 18.745 -10.661 -8.314 551 2HE LYS 71 1HE LYS 71 19.670 -9.684 -7.175 552 1HZ LYS 71 1HZ LYS 71 17.843 -9.937 -5.918 553 2HZ LYS 71 2HZ LYS 71 16.831 -10.267 -7.233 554 3HZ LYS 71 3HZ LYS 71 17.228 -8.667 -6.852 555 H ARG 72 H ARG 72 22.742 -7.059 -11.916 556 HA ARG 72 HA ARG 72 22.797 -4.616 -13.367 557 1HB ARG 72 2HB ARG 72 24.324 -7.194 -13.770 558 2HB ARG 72 1HB ARG 72 24.660 -5.695 -14.627 559 1HG ARG 72 2HG ARG 72 25.158 -4.597 -12.492 560 2HG ARG 72 1HG ARG 72 24.857 -6.122 -11.653 561 1HD ARG 72 2HD ARG 72 27.216 -5.900 -11.933 562 2HD ARG 72 1HD ARG 72 26.659 -7.150 -13.044 563 HE ARG 72 HE ARG 72 26.712 -4.637 -14.339 564 1HH1 ARG 72 1HH1 ARG 72 28.827 -7.154 -13.167 565 2HH1 ARG 72 2HH1 ARG 72 30.076 -6.811 -14.317 566 1HH2 ARG 72 1HH2 ARG 72 28.354 -4.186 -15.852 567 2HH2 ARG 72 2HH2 ARG 72 29.808 -5.127 -15.841 568 H LYS 73 H LYS 73 21.930 -4.092 -15.271 569 HA LYS 73 HA LYS 73 20.232 -6.026 -16.605 570 1HB LYS 73 2HB LYS 73 19.424 -4.143 -17.905 571 2HB LYS 73 1HB LYS 73 19.445 -3.720 -16.199 572 1HG LYS 73 2HG LYS 73 21.593 -2.543 -16.566 573 2HG LYS 73 1HG LYS 73 21.440 -2.881 -18.291 574 1HD LYS 73 2HD LYS 73 19.201 -1.710 -18.189 575 2HD LYS 73 1HD LYS 73 19.652 -1.180 -16.567 576 1HE LYS 73 2HE LYS 73 20.269 0.600 -17.956 577 2HE LYS 73 1HE LYS 73 21.776 -0.263 -17.649 578 1HZ LYS 73 1HZ LYS 73 21.909 -0.035 -19.889 579 2HZ LYS 73 2HZ LYS 73 20.234 -0.037 -20.122 580 3HZ LYS 73 3HZ LYS 73 21.049 -1.492 -19.844 581 H ASP 74 H ASP 74 20.274 -6.234 -18.981 582 HA ASP 74 HA ASP 74 22.809 -7.033 -19.892 583 1HB ASP 74 2HB ASP 74 20.100 -6.817 -21.084 584 2HB ASP 74 1HB ASP 74 21.462 -6.938 -22.193 585 H ASN 75 H ASN 75 20.845 -4.774 -21.716 586 HA ASN 75 HA ASN 75 22.386 -2.496 -21.546 587 1HB ASN 75 2HB ASN 75 23.812 -4.490 -22.908 588 2HB ASN 75 1HB ASN 75 23.234 -3.395 -24.160 589 1HD2 ASN 75 1HD2 ASN 75 23.256 -1.019 -22.678 590 2HD2 ASN 75 2HD2 ASN 75 24.900 -0.596 -22.356 591 H GLU 76 H GLU 76 20.507 -4.578 -23.603 592 HA GLU 76 HA GLU 76 19.189 -2.201 -24.738 593 1HB GLU 76 2HB GLU 76 19.723 -4.889 -26.000 594 2HB GLU 76 1HB GLU 76 18.597 -3.720 -26.677 595 1HG GLU 76 2HG GLU 76 20.545 -3.346 -27.866 596 2HG GLU 76 1HG GLU 76 20.578 -2.090 -26.629 597 H GLY 77 H GLY 77 18.444 -3.362 -22.280 598 1HA GLY 77 2HA GLY 77 16.592 -4.114 -21.150 599 2HA GLY 77 1HA GLY 77 15.685 -3.545 -22.543 600 H ASN 78 H ASN 78 18.094 -6.088 -22.718 601 HA ASN 78 HA ASN 78 15.953 -7.956 -23.463 602 1HB ASN 78 2HB ASN 78 17.762 -9.269 -24.548 603 2HB ASN 78 1HB ASN 78 17.623 -7.637 -25.195 604 1HD2 ASN 78 1HD2 ASN 78 19.163 -6.056 -24.500 605 2HD2 ASN 78 2HD2 ASN 78 20.743 -6.548 -24.005 606 H GLU 79 H GLU 79 15.910 -10.068 -22.632 607 HA GLU 79 HA GLU 79 16.007 -11.630 -20.982 608 1HB GLU 79 2HB GLU 79 18.822 -10.634 -21.124 609 2HB GLU 79 1HB GLU 79 18.374 -11.747 -19.839 610 1HG GLU 79 2HG GLU 79 19.214 -13.101 -21.540 611 2HG GLU 79 1HG GLU 79 17.462 -13.252 -21.671 612 H VAL 80 H VAL 80 15.099 -8.945 -20.328 613 HA VAL 80 HA VAL 80 16.070 -8.095 -17.824 614 HB VAL 80 HB VAL 80 14.708 -6.648 -19.259 615 1HG1 VAL 80 1HG1 VAL 80 12.787 -8.845 -18.966 616 2HG1 VAL 80 2HG1 VAL 80 12.986 -7.675 -20.269 617 3HG1 VAL 80 3HG1 VAL 80 12.094 -7.231 -18.815 618 1HG2 VAL 80 1HG2 VAL 80 13.748 -5.485 -17.540 619 2HG2 VAL 80 2HG2 VAL 80 14.774 -6.588 -16.622 620 3HG2 VAL 80 3HG2 VAL 80 13.053 -6.931 -16.804 621 H VAL 81 H VAL 81 15.318 -8.426 -15.735 622 HA VAL 81 HA VAL 81 13.618 -10.810 -15.382 623 HB VAL 81 HB VAL 81 14.788 -11.015 -13.138 624 1HG1 VAL 81 1HG1 VAL 81 16.606 -11.334 -15.516 625 2HG1 VAL 81 2HG1 VAL 81 15.243 -12.403 -15.186 626 3HG1 VAL 81 3HG1 VAL 81 16.577 -12.294 -14.036 627 1HG2 VAL 81 1HG2 VAL 81 15.773 -8.569 -13.634 628 2HG2 VAL 81 2HG2 VAL 81 17.106 -9.552 -14.240 629 3HG2 VAL 81 3HG2 VAL 81 16.565 -9.733 -12.571 630 HA PRO 82 HA PRO 82 11.188 -7.340 -13.576 631 1HB PRO 82 2HB PRO 82 8.781 -8.574 -13.947 632 2HB PRO 82 1HB PRO 82 9.574 -7.593 -15.184 633 1HG PRO 82 2HG PRO 82 9.524 -10.569 -14.870 634 2HG PRO 82 1HG PRO 82 9.353 -9.595 -16.343 635 1HD PRO 82 2HD PRO 82 11.668 -10.813 -15.692 636 2HD PRO 82 1HD PRO 82 11.630 -9.249 -16.530 637 H LYS 83 H LYS 83 10.690 -7.164 -11.479 638 HA LYS 83 HA LYS 83 9.482 -9.251 -9.961 639 1HB LYS 83 2HB LYS 83 12.024 -9.830 -10.187 640 2HB LYS 83 1HB LYS 83 12.231 -8.564 -8.985 641 1HG LYS 83 2HG LYS 83 10.630 -9.789 -7.522 642 2HG LYS 83 1HG LYS 83 10.638 -11.100 -8.703 643 1HD LYS 83 2HD LYS 83 12.229 -11.777 -7.145 644 2HD LYS 83 1HD LYS 83 13.202 -11.039 -8.417 645 1HE LYS 83 2HE LYS 83 12.699 -8.893 -6.841 646 2HE LYS 83 1HE LYS 83 12.743 -10.183 -5.641 647 1HZ LYS 83 1HZ LYS 83 14.880 -10.013 -7.650 648 2HZ LYS 83 2HZ LYS 83 14.933 -10.641 -6.080 649 3HZ LYS 83 3HZ LYS 83 14.912 -8.967 -6.321 650 HA PRO 84 HA PRO 84 9.199 -4.767 -8.498 651 1HB PRO 84 2HB PRO 84 6.490 -4.577 -8.753 652 2HB PRO 84 1HB PRO 84 7.622 -4.140 -10.038 653 1HG PRO 84 2HG PRO 84 6.056 -6.663 -9.669 654 2HG PRO 84 1HG PRO 84 6.342 -5.730 -11.149 655 1HD PRO 84 2HD PRO 84 7.727 -7.973 -10.579 656 2HD PRO 84 1HD PRO 84 8.462 -6.605 -11.442 657 H GLN 85 H GLN 85 8.723 -4.237 -6.418 658 HA GLN 85 HA GLN 85 7.927 -6.374 -4.653 659 1HB GLN 85 2HB GLN 85 8.869 -3.550 -4.241 660 2HB GLN 85 1HB GLN 85 8.222 -4.492 -2.904 661 1HG GLN 85 2HG GLN 85 10.507 -5.413 -4.624 662 2HG GLN 85 1HG GLN 85 10.716 -4.498 -3.131 663 1HE2 GLN 85 1HE2 GLN 85 11.117 -7.416 -4.213 664 2HE2 GLN 85 2HE2 GLN 85 10.605 -8.374 -2.871 665 H ARG 86 H ARG 86 5.957 -6.736 -3.878 666 HA ARG 86 HA ARG 86 3.969 -4.568 -4.031 667 1HB ARG 86 2HB ARG 86 2.265 -6.313 -4.530 668 2HB ARG 86 1HB ARG 86 3.469 -6.125 -5.796 669 1HG ARG 86 2HG ARG 86 4.677 -8.079 -4.617 670 2HG ARG 86 1HG ARG 86 3.111 -8.367 -3.854 671 1HD ARG 86 2HD ARG 86 2.055 -8.664 -5.979 672 2HD ARG 86 1HD ARG 86 3.507 -8.143 -6.832 673 HE ARG 86 HE ARG 86 3.950 -10.438 -5.177 674 1HH1 ARG 86 1HH1 ARG 86 2.790 -9.374 -8.291 675 2HH1 ARG 86 2HH1 ARG 86 3.118 -10.886 -9.070 676 1HH2 ARG 86 1HH2 ARG 86 4.380 -12.427 -6.198 677 2HH2 ARG 86 2HH2 ARG 86 4.020 -12.620 -7.882 678 H HIS 87 H HIS 87 2.386 -4.518 -2.409 679 HA HIS 87 HA HIS 87 3.019 -6.154 -0.040 680 1HB HIS 87 2HB HIS 87 2.110 -3.286 -0.258 681 2HB HIS 87 1HB HIS 87 1.999 -4.196 1.245 682 HD1 HIS 87 HD1 HIS 87 3.899 -3.725 2.736 683 HD2 HIS 87 HD2 HIS 87 5.003 -3.520 -1.264 684 HE1 HIS 87 HE1 HIS 87 6.341 -3.124 2.744 685 HE2 HIS 87 HE2 HIS 87 7.008 -3.092 0.313 686 H MET 88 H MET 88 1.468 -7.473 0.637 687 HA MET 88 HA MET 88 -1.215 -7.185 -0.487 688 1HB MET 88 2HB MET 88 0.070 -9.456 1.042 689 2HB MET 88 1HB MET 88 -1.572 -9.478 0.415 690 1HG MET 88 2HG MET 88 -0.670 -9.207 -1.864 691 2HG MET 88 1HG MET 88 0.960 -9.290 -1.199 692 1HE MET 88 1HE MET 88 0.095 -11.643 -3.531 693 2HE MET 88 2HE MET 88 1.239 -12.673 -2.671 694 3HE MET 88 3HE MET 88 1.543 -10.940 -2.811 695 H PHE 89 H PHE 89 -2.579 -5.981 0.656 696 HA PHE 89 HA PHE 89 -2.394 -6.011 3.586 697 1HB PHE 89 2HB PHE 89 -3.545 -4.032 1.633 698 2HB PHE 89 1HB PHE 89 -3.949 -3.978 3.346 699 HD1 PHE 89 HD1 PHE 89 -1.510 -3.178 0.829 700 HD2 PHE 89 HD2 PHE 89 -2.124 -3.635 5.015 701 HE1 PHE 89 HE1 PHE 89 0.538 -1.887 1.265 702 HE2 PHE 89 HE2 PHE 89 -0.078 -2.340 5.460 703 HZ PHE 89 HZ PHE 89 1.256 -1.465 3.584 704 H SER 90 H SER 90 -4.203 -6.361 4.871 705 HA SER 90 HA SER 90 -6.532 -7.523 3.488 706 1HB SER 90 2HB SER 90 -5.354 -9.336 4.538 707 2HB SER 90 1HB SER 90 -5.188 -8.430 6.041 708 HG SER 90 HG SER 90 -7.436 -8.565 6.305 709 H PHE 91 H PHE 91 -8.513 -6.808 4.095 710 HA PHE 91 HA PHE 91 -8.575 -4.798 6.239 711 1HB PHE 91 2HB PHE 91 -10.042 -5.037 3.638 712 2HB PHE 91 1HB PHE 91 -10.729 -4.099 4.961 713 HD1 PHE 91 HD1 PHE 91 -10.111 -1.909 5.269 714 HD2 PHE 91 HD2 PHE 91 -7.645 -4.467 2.933 715 HE1 PHE 91 HE1 PHE 91 -8.711 0.022 4.634 716 HE2 PHE 91 HE2 PHE 91 -6.243 -2.556 2.293 717 HZ PHE 91 HZ PHE 91 -6.774 -0.302 3.143 718 H ASN 92 H ASN 92 -10.410 -4.642 7.555 719 HA ASN 92 HA ASN 92 -11.870 -7.177 7.857 720 1HB ASN 92 2HB ASN 92 -10.426 -6.516 9.776 721 2HB ASN 92 1HB ASN 92 -11.371 -5.038 9.941 722 1HD2 ASN 92 1HD2 ASN 92 -11.648 -8.558 9.934 723 2HD2 ASN 92 2HD2 ASN 92 -12.959 -8.635 11.057 724 H ASN 93 H ASN 93 -12.296 -4.370 6.389 725 HA ASN 93 HA ASN 93 -15.152 -4.430 6.763 726 1HB ASN 93 2HB ASN 93 -14.398 -2.856 8.512 727 2HB ASN 93 1HB ASN 93 -13.616 -1.882 7.271 728 1HD2 ASN 93 1HD2 ASN 93 -16.744 -3.186 8.258 729 2HD2 ASN 93 2HD2 ASN 93 -17.684 -1.878 7.635 730 H ARG 94 H ARG 94 -16.073 -4.304 4.839 731 HA ARG 94 HA ARG 94 -14.654 -3.854 2.471 732 1HB ARG 94 2HB ARG 94 -16.804 -5.115 2.671 733 2HB ARG 94 1HB ARG 94 -17.638 -3.581 2.865 734 1HG ARG 94 2HG ARG 94 -16.937 -2.891 0.647 735 2HG ARG 94 1HG ARG 94 -16.031 -4.393 0.451 736 1HD ARG 94 2HD ARG 94 -19.014 -4.179 0.851 737 2HD ARG 94 1HD ARG 94 -18.204 -4.470 -0.687 738 HE ARG 94 HE ARG 94 -17.781 -6.648 -0.039 739 1HH1 ARG 94 1HH1 ARG 94 -19.140 -4.851 2.631 740 2HH1 ARG 94 2HH1 ARG 94 -19.443 -6.263 3.586 741 1HH2 ARG 94 1HH2 ARG 94 -18.183 -8.501 1.218 742 2HH2 ARG 94 2HH2 ARG 94 -18.900 -8.332 2.786 743 H THR 95 H THR 95 -16.665 -1.683 4.416 744 HA THR 95 HA THR 95 -16.682 0.467 2.635 745 HB THR 95 HB THR 95 -16.733 1.007 5.532 746 HG1 THR 95 HG1 THR 95 -18.675 -0.650 4.311 747 1HG2 THR 95 1HG2 THR 95 -17.524 2.629 3.852 748 2HG2 THR 95 2HG2 THR 95 -18.756 2.175 5.029 749 3HG2 THR 95 3HG2 THR 95 -18.787 1.485 3.407 750 H VAL 96 H VAL 96 -14.567 -0.384 5.301 751 HA VAL 96 HA VAL 96 -12.955 1.940 5.129 752 HB VAL 96 HB VAL 96 -12.282 -0.737 6.352 753 1HG1 VAL 96 1HG1 VAL 96 -10.890 1.902 6.339 754 2HG1 VAL 96 2HG1 VAL 96 -10.222 0.276 6.195 755 3HG1 VAL 96 3HG1 VAL 96 -10.774 0.867 7.762 756 1HG2 VAL 96 1HG2 VAL 96 -12.920 1.542 8.089 757 2HG2 VAL 96 2HG2 VAL 96 -13.396 -0.153 8.215 758 3HG2 VAL 96 3HG2 VAL 96 -14.275 0.933 7.137 759 H MET 97 H MET 97 -12.880 -1.204 3.651 760 HA MET 97 HA MET 97 -10.249 -0.907 2.556 761 1HB MET 97 2HB MET 97 -10.472 -3.043 1.786 762 2HB MET 97 1HB MET 97 -11.710 -3.073 3.030 763 1HG MET 97 2HG MET 97 -12.968 -3.930 1.390 764 2HG MET 97 1HG MET 97 -13.173 -2.244 0.929 765 1HE MET 97 1HE MET 97 -13.430 -3.534 -2.216 766 2HE MET 97 2HE MET 97 -12.516 -2.032 -2.349 767 3HE MET 97 3HE MET 97 -13.727 -2.219 -1.081 768 H ASP 98 H ASP 98 -13.497 -0.162 1.522 769 HA ASP 98 HA ASP 98 -12.767 0.319 -1.202 770 1HB ASP 98 2HB ASP 98 -15.060 -0.385 -0.518 771 2HB ASP 98 1HB ASP 98 -15.266 1.182 0.258 772 H ASN 99 H ASN 99 -12.919 2.149 1.722 773 HA ASN 99 HA ASN 99 -12.896 4.721 0.496 774 1HB ASN 99 2HB ASN 99 -12.549 3.689 3.276 775 2HB ASN 99 1HB ASN 99 -12.024 5.331 2.914 776 1HD2 ASN 99 1HD2 ASN 99 -14.789 3.353 1.896 777 2HD2 ASN 99 2HD2 ASN 99 -15.996 4.495 2.364 778 H ILE 100 H ILE 100 -10.506 2.434 1.522 779 HA ILE 100 HA ILE 100 -8.301 4.282 1.212 780 HB ILE 100 HB ILE 100 -8.301 1.299 1.696 781 1HG1 ILE 100 2HG1 ILE 100 -9.279 2.669 3.524 782 2HG1 ILE 100 1HG1 ILE 100 -7.795 1.853 4.002 783 1HG2 ILE 100 1HG2 ILE 100 -6.216 1.672 0.782 784 2HG2 ILE 100 2HG2 ILE 100 -5.907 1.903 2.503 785 3HG2 ILE 100 3HG2 ILE 100 -6.098 3.303 1.447 786 1HD1 ILE 100 1HD1 ILE 100 -6.577 3.981 3.572 787 2HD1 ILE 100 2HD1 ILE 100 -7.755 4.061 4.883 788 3HD1 ILE 100 3HD1 ILE 100 -8.140 4.757 3.308 789 H LYS 101 H LYS 101 -9.631 1.474 -0.493 790 HA LYS 101 HA LYS 101 -7.683 1.298 -2.502 791 1HB LYS 101 2HB LYS 101 -9.327 -0.470 -2.075 792 2HB LYS 101 1HB LYS 101 -10.617 0.584 -2.634 793 1HG LYS 101 2HG LYS 101 -9.659 0.609 -4.865 794 2HG LYS 101 1HG LYS 101 -8.321 -0.401 -4.314 795 1HD LYS 101 2HD LYS 101 -9.820 -1.886 -5.352 796 2HD LYS 101 1HD LYS 101 -10.093 -2.092 -3.621 797 1HE LYS 101 2HE LYS 101 -12.202 -1.992 -4.845 798 2HE LYS 101 1HE LYS 101 -12.036 -0.626 -3.741 799 1HZ LYS 101 1HZ LYS 101 -11.533 0.814 -5.528 800 2HZ LYS 101 2HZ LYS 101 -12.883 -0.081 -6.018 801 3HZ LYS 101 3HZ LYS 101 -11.351 -0.466 -6.621 802 H MET 102 H MET 102 -10.474 3.366 -2.136 803 HA MET 102 HA MET 102 -10.391 4.334 -4.837 804 1HB MET 102 2HB MET 102 -12.512 4.240 -3.625 805 2HB MET 102 1HB MET 102 -11.883 5.354 -2.420 806 1HG MET 102 2HG MET 102 -13.143 6.746 -3.730 807 2HG MET 102 1HG MET 102 -11.544 6.942 -4.446 808 1HE MET 102 1HE MET 102 -14.830 5.350 -4.397 809 2HE MET 102 2HE MET 102 -15.068 4.540 -5.945 810 3HE MET 102 3HE MET 102 -15.335 6.279 -5.809 811 H THR 103 H THR 103 -9.521 5.605 -1.678 812 HA THR 103 HA THR 103 -8.639 8.121 -2.578 813 HB THR 103 HB THR 103 -9.141 7.289 -0.162 814 HG1 THR 103 HG1 THR 103 -7.981 9.006 0.611 815 1HG2 THR 103 1HG2 THR 103 -7.456 5.542 -0.023 816 2HG2 THR 103 2HG2 THR 103 -7.173 6.803 1.176 817 3HG2 THR 103 3HG2 THR 103 -6.187 6.736 -0.284 818 H LEU 104 H LEU 104 -6.964 5.052 -2.107 819 HA LEU 104 HA LEU 104 -4.367 6.021 -2.675 820 1HB LEU 104 2HB LEU 104 -5.584 3.269 -2.822 821 2HB LEU 104 1HB LEU 104 -3.895 3.575 -3.181 822 HG LEU 104 HG LEU 104 -5.176 4.254 -0.536 823 1HD1 LEU 104 1HD1 LEU 104 -5.244 1.817 -1.029 824 2HD1 LEU 104 2HD1 LEU 104 -4.231 2.241 0.352 825 3HD1 LEU 104 3HD1 LEU 104 -3.490 1.849 -1.199 826 1HD2 LEU 104 1HD2 LEU 104 -2.959 4.554 0.254 827 2HD2 LEU 104 2HD2 LEU 104 -3.091 5.467 -1.249 828 3HD2 LEU 104 3HD2 LEU 104 -2.269 3.907 -1.235 829 H GLN 105 H GLN 105 -7.014 4.891 -4.671 830 HA GLN 105 HA GLN 105 -5.524 4.591 -7.062 831 1HB GLN 105 2HB GLN 105 -8.374 4.637 -6.304 832 2HB GLN 105 1HB GLN 105 -8.032 5.138 -7.956 833 1HG GLN 105 2HG GLN 105 -6.997 3.059 -8.459 834 2HG GLN 105 1HG GLN 105 -7.027 2.568 -6.765 835 1HE2 GLN 105 1HE2 GLN 105 -8.473 1.068 -6.402 836 2HE2 GLN 105 2HE2 GLN 105 -10.030 0.943 -7.139 837 H GLN 106 H GLN 106 -7.055 7.287 -5.493 838 HA GLN 106 HA GLN 106 -7.042 9.071 -7.680 839 1HB GLN 106 2HB GLN 106 -6.951 9.601 -4.704 840 2HB GLN 106 1HB GLN 106 -7.172 10.852 -5.919 841 1HG GLN 106 2HG GLN 106 -9.016 8.524 -5.427 842 2HG GLN 106 1HG GLN 106 -9.288 10.192 -4.922 843 1HE2 GLN 106 1HE2 GLN 106 -10.511 8.151 -6.918 844 2HE2 GLN 106 2HE2 GLN 106 -10.788 9.116 -8.324 845 H ILE 107 H ILE 107 -4.682 8.347 -5.152 846 HA ILE 107 HA ILE 107 -2.809 10.338 -5.722 847 HB ILE 107 HB ILE 107 -2.295 7.508 -4.786 848 1HG1 ILE 107 2HG1 ILE 107 -2.316 9.941 -3.030 849 2HG1 ILE 107 1HG1 ILE 107 -3.835 9.158 -3.456 850 1HG2 ILE 107 1HG2 ILE 107 -0.398 9.436 -3.839 851 2HG2 ILE 107 2HG2 ILE 107 -0.465 9.473 -5.602 852 3HG2 ILE 107 3HG2 ILE 107 -0.126 7.959 -4.763 853 1HD1 ILE 107 1HD1 ILE 107 -3.521 7.642 -1.882 854 2HD1 ILE 107 2HD1 ILE 107 -2.042 8.477 -1.405 855 3HD1 ILE 107 3HD1 ILE 107 -1.976 7.176 -2.595 856 H ILE 108 H ILE 108 -3.203 7.091 -7.050 857 HA ILE 108 HA ILE 108 -1.028 6.924 -8.748 858 HB ILE 108 HB ILE 108 -3.757 6.012 -9.606 859 1HG1 ILE 108 2HG1 ILE 108 -3.715 5.279 -7.361 860 2HG1 ILE 108 1HG1 ILE 108 -3.237 3.885 -8.321 861 1HG2 ILE 108 1HG2 ILE 108 -0.951 5.109 -10.097 862 2HG2 ILE 108 2HG2 ILE 108 -2.204 5.554 -11.257 863 3HG2 ILE 108 3HG2 ILE 108 -2.323 4.034 -10.368 864 1HD1 ILE 108 1HD1 ILE 108 -1.060 3.958 -7.578 865 2HD1 ILE 108 2HD1 ILE 108 -1.961 4.460 -6.148 866 3HD1 ILE 108 3HD1 ILE 108 -1.153 5.665 -7.147 867 H SER 109 H SER 109 -4.229 8.128 -9.441 868 HA SER 109 HA SER 109 -3.799 8.978 -12.064 869 1HB SER 109 2HB SER 109 -6.037 8.763 -10.991 870 2HB SER 109 1HB SER 109 -5.697 10.226 -10.066 871 HG SER 109 HG SER 109 -5.839 11.420 -11.863 872 H ARG 110 H ARG 110 -3.054 10.502 -9.038 873 HA ARG 110 HA ARG 110 -2.548 13.084 -10.121 874 1HB ARG 110 2HB ARG 110 -1.797 11.818 -7.491 875 2HB ARG 110 1HB ARG 110 -1.417 13.485 -7.900 876 1HG ARG 110 2HG ARG 110 -3.825 13.933 -8.185 877 2HG ARG 110 1HG ARG 110 -4.165 12.276 -7.675 878 1HD ARG 110 2HD ARG 110 -2.948 12.781 -5.544 879 2HD ARG 110 1HD ARG 110 -2.873 14.465 -6.057 880 HE ARG 110 HE ARG 110 -5.156 13.071 -5.010 881 1HH1 ARG 110 1HH1 ARG 110 -4.108 15.747 -6.990 882 2HH1 ARG 110 2HH1 ARG 110 -5.565 16.652 -6.758 883 1HH2 ARG 110 1HH2 ARG 110 -7.072 14.260 -4.703 884 2HH2 ARG 110 2HH2 ARG 110 -7.249 15.808 -5.459 885 H TYR 111 H TYR 111 -0.657 10.227 -9.542 886 HA TYR 111 HA TYR 111 1.873 11.484 -9.994 887 1HB TYR 111 2HB TYR 111 0.920 8.693 -9.602 888 2HB TYR 111 1HB TYR 111 2.477 8.917 -10.394 889 HD1 TYR 111 HD1 TYR 111 4.383 9.136 -9.090 890 HD2 TYR 111 HD2 TYR 111 0.596 9.998 -7.357 891 HE1 TYR 111 HE1 TYR 111 5.460 9.433 -6.899 892 HE2 TYR 111 HE2 TYR 111 1.661 10.298 -5.162 893 HH TYR 111 HH TYR 111 4.279 10.987 -4.466 894 H LYS 112 H LYS 112 -0.551 9.995 -11.956 895 HA LYS 112 HA LYS 112 1.072 9.645 -14.273 896 1HB LYS 112 2HB LYS 112 -1.923 9.688 -13.891 897 2HB LYS 112 1HB LYS 112 -1.142 9.342 -15.428 898 1HG LYS 112 2HG LYS 112 -0.023 7.409 -14.408 899 2HG LYS 112 1HG LYS 112 -0.861 7.746 -12.891 900 1HD LYS 112 2HD LYS 112 -2.637 7.591 -15.209 901 2HD LYS 112 1HD LYS 112 -1.769 6.091 -14.879 902 1HE LYS 112 2HE LYS 112 -3.011 5.665 -13.076 903 2HE LYS 112 1HE LYS 112 -2.806 7.302 -12.457 904 1HZ LYS 112 1HZ LYS 112 -4.573 8.027 -13.969 905 2HZ LYS 112 2HZ LYS 112 -5.121 6.856 -12.878 906 3HZ LYS 112 3HZ LYS 112 -4.795 6.430 -14.482 907 H ASP 113 H ASP 113 -1.130 12.128 -13.087 908 HA ASP 113 HA ASP 113 -1.290 13.702 -15.391 909 1HB ASP 113 2HB ASP 113 -1.415 14.485 -12.473 910 2HB ASP 113 1HB ASP 113 -1.802 15.578 -13.798 911 H ALA 114 H ALA 114 1.136 13.583 -12.844 912 HA ALA 114 HA ALA 114 2.564 15.899 -13.520 913 1HB ALA 114 1HB ALA 114 3.238 15.109 -11.493 914 2HB ALA 114 2HB ALA 114 4.520 14.429 -12.495 915 3HB ALA 114 3HB ALA 114 3.160 13.422 -11.999 916 H ASP 115 H ASP 115 2.604 12.666 -14.860 917 HA ASP 115 HA ASP 115 4.397 13.628 -16.976 918 1HB ASP 115 2HB ASP 115 4.626 10.993 -15.508 919 2HB ASP 115 1HB ASP 115 5.481 11.365 -17.002
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