NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
477397 | 2kzx | 17022 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 3.886 -10.910 16.146 2 H2 MET 1 H2 MET 1 3.550 -9.251 16.213 3 H3 MET 1 H3 MET 1 5.014 -9.845 16.825 4 HA MET 1 HA MET 1 4.182 -9.978 13.994 5 HB2 MET 1 HB2 MET 1 6.086 -8.110 15.415 6 HB3 MET 1 HB3 MET 1 6.025 -8.293 13.667 7 HG2 MET 1 HG2 MET 1 3.841 -7.401 13.554 8 HG3 MET 1 HG3 MET 1 3.631 -7.512 15.300 9 HE1 MET 1 HE1 MET 1 5.451 -5.643 12.365 10 HE2 MET 1 HE2 MET 1 6.828 -6.156 13.345 11 HE3 MET 1 HE3 MET 1 6.412 -4.446 13.235 12 H LYS 2 H LYS 2 4.848 -11.954 13.506 13 HA LYS 2 HA LYS 2 7.598 -12.737 14.182 14 HB2 LYS 2 HB2 LYS 2 5.226 -14.357 13.227 15 HB3 LYS 2 HB3 LYS 2 6.859 -15.005 13.322 16 HG2 LYS 2 HG2 LYS 2 6.909 -14.667 15.699 17 HG3 LYS 2 HG3 LYS 2 5.342 -13.861 15.655 18 HD2 LYS 2 HD2 LYS 2 5.821 -16.732 14.857 19 HD3 LYS 2 HD3 LYS 2 5.238 -16.216 16.440 20 HE2 LYS 2 HE2 LYS 2 3.338 -15.071 15.212 21 HE3 LYS 2 HE3 LYS 2 3.870 -15.940 13.774 22 HZ1 LYS 2 HZ1 LYS 2 3.554 -18.019 15.001 23 HZ2 LYS 2 HZ2 LYS 2 2.116 -17.137 14.861 24 HZ3 LYS 2 HZ3 LYS 2 2.967 -17.144 16.326 25 H ASP 3 H ASP 3 9.092 -12.724 12.638 26 HA ASP 3 HA ASP 3 8.677 -11.008 10.521 27 HB2 ASP 3 HB2 ASP 3 10.986 -11.683 9.773 28 HB3 ASP 3 HB3 ASP 3 10.829 -11.083 11.412 29 H GLY 4 H GLY 4 7.612 -11.189 8.813 30 HA2 GLY 4 HA2 GLY 4 8.064 -13.280 6.887 31 HA3 GLY 4 HA3 GLY 4 6.452 -13.292 7.599 32 H THR 5 H THR 5 5.128 -12.513 6.063 33 HA THR 5 HA THR 5 5.581 -9.810 5.076 34 HB THR 5 HB THR 5 5.105 -12.148 3.196 35 HG1 THR 5 HG1 THR 5 7.350 -10.781 4.019 36 HG21 THR 5 HG21 THR 5 5.263 -10.497 1.386 37 HG22 THR 5 HG22 THR 5 5.355 -9.201 2.580 38 HG23 THR 5 HG23 THR 5 3.887 -10.169 2.440 39 H TYR 6 H TYR 6 3.780 -8.710 5.360 40 HA TYR 6 HA TYR 6 1.195 -10.151 5.507 41 HB2 TYR 6 HB2 TYR 6 1.791 -7.516 6.844 42 HB3 TYR 6 HB3 TYR 6 0.472 -8.618 7.180 43 HD1 TYR 6 HD1 TYR 6 1.269 -10.990 8.101 44 HD2 TYR 6 HD2 TYR 6 3.505 -7.395 8.292 45 HE1 TYR 6 HE1 TYR 6 2.532 -11.881 10.007 46 HE2 TYR 6 HE2 TYR 6 4.772 -8.279 10.191 47 HH TYR 6 HH TYR 6 4.800 -11.470 11.076 48 H TYR 7 H TYR 7 -0.130 -9.597 3.853 49 HA TYR 7 HA TYR 7 -0.025 -6.796 3.002 50 HB2 TYR 7 HB2 TYR 7 0.445 -7.336 0.881 51 HB3 TYR 7 HB3 TYR 7 0.699 -8.983 1.408 52 HD1 TYR 7 HD2 TYR 7 -1.508 -10.489 1.416 53 HD2 TYR 7 HD1 TYR 7 -1.013 -6.924 -0.844 54 HE1 TYR 7 HE2 TYR 7 -3.261 -11.235 -0.139 55 HE2 TYR 7 HE1 TYR 7 -2.755 -7.670 -2.406 56 HH TYR 7 HH TYR 7 -4.939 -9.977 -1.780 57 H ALA 8 H ALA 8 -1.968 -5.860 2.360 58 HA ALA 8 HA ALA 8 -4.404 -7.439 2.662 59 HB1 ALA 8 HB1 ALA 8 -4.108 -6.319 4.814 60 HB2 ALA 8 HB2 ALA 8 -5.499 -5.682 3.936 61 HB3 ALA 8 HB3 ALA 8 -3.992 -4.766 3.988 62 H GLU 9 H GLU 9 -6.093 -6.671 1.411 63 HA GLU 9 HA GLU 9 -5.202 -4.820 -0.704 64 HB2 GLU 9 HB2 GLU 9 -6.565 -6.117 -2.251 65 HB3 GLU 9 HB3 GLU 9 -5.440 -7.180 -1.420 66 HG2 GLU 9 HG2 GLU 9 -7.283 -7.820 0.128 67 HG3 GLU 9 HG3 GLU 9 -8.385 -6.869 -0.866 68 H ALA 10 H ALA 10 -6.701 -3.375 -1.549 69 HA ALA 10 HA ALA 10 -8.763 -2.357 0.038 70 HB1 ALA 10 HB1 ALA 10 -7.711 -1.090 -1.766 71 HB2 ALA 10 HB2 ALA 10 -9.462 -1.144 -1.972 72 HB3 ALA 10 HB3 ALA 10 -8.425 -2.176 -2.960 73 H ASP 11 H ASP 11 -10.970 -2.678 0.044 74 HA ASP 11 HA ASP 11 -11.832 -5.335 -0.367 75 HB2 ASP 11 HB2 ASP 11 -13.410 -2.832 0.248 76 HB3 ASP 11 HB3 ASP 11 -14.108 -4.448 0.220 77 H ASP 12 H ASP 12 -12.245 -2.421 -2.238 78 HA ASP 12 HA ASP 12 -13.308 -4.051 -4.423 79 HB2 ASP 12 HB2 ASP 12 -14.666 -2.041 -5.123 80 HB3 ASP 12 HB3 ASP 12 -15.230 -2.857 -3.673 81 H PHE 13 H PHE 13 -13.064 -2.904 -6.547 82 HA PHE 13 HA PHE 13 -10.333 -1.992 -6.804 83 HB2 PHE 13 HB2 PHE 13 -12.493 -2.431 -8.879 84 HB3 PHE 13 HB3 PHE 13 -10.836 -1.972 -9.253 85 HD1 PHE 13 HD1 PHE 13 -8.987 -3.546 -8.533 86 HD2 PHE 13 HD2 PHE 13 -13.084 -4.670 -8.630 87 HE1 PHE 13 HE1 PHE 13 -8.328 -5.909 -8.553 88 HE2 PHE 13 HE2 PHE 13 -12.434 -7.042 -8.660 89 HZ PHE 13 HZ PHE 13 -10.054 -7.666 -8.624 90 H ASP 14 H ASP 14 -9.653 -0.013 -7.436 91 HA ASP 14 HA ASP 14 -11.488 2.140 -6.836 92 HB2 ASP 14 HB2 ASP 14 -8.510 2.002 -7.264 93 HB3 ASP 14 HB3 ASP 14 -9.358 3.541 -7.087 94 H GLU 15 H GLU 15 -10.019 4.136 -8.429 95 HA GLU 15 HA GLU 15 -11.964 4.234 -10.491 96 HB2 GLU 15 HB2 GLU 15 -9.562 6.006 -10.042 97 HB3 GLU 15 HB3 GLU 15 -10.930 6.370 -11.090 98 HG2 GLU 15 HG2 GLU 15 -12.424 6.391 -9.188 99 HG3 GLU 15 HG3 GLU 15 -11.104 5.923 -8.120 100 H SER 16 H SER 16 -8.495 3.485 -10.557 101 HA SER 16 HA SER 16 -8.614 3.163 -13.459 102 HB2 SER 16 HB2 SER 16 -6.243 2.659 -11.653 103 HB3 SER 16 HB3 SER 16 -6.238 2.910 -13.402 104 HG SER 16 HG SER 16 -6.282 4.996 -13.090 105 H GLY 17 H GLY 17 -9.590 1.344 -10.972 106 HA2 GLY 17 HA2 GLY 17 -10.402 -0.829 -11.070 107 HA3 GLY 17 HA3 GLY 17 -9.471 -1.090 -12.540 108 H TRP 18 H TRP 18 -7.928 0.212 -9.735 109 HA TRP 18 HA TRP 18 -6.574 -2.363 -9.347 110 HB2 TRP 18 HB2 TRP 18 -5.515 0.441 -8.927 111 HB3 TRP 18 HB3 TRP 18 -4.666 -1.018 -8.442 112 HD1 TRP 18 HD1 TRP 18 -5.623 0.999 -11.540 113 HE1 TRP 18 HE1 TRP 18 -4.141 0.252 -13.503 114 HE3 TRP 18 HE3 TRP 18 -3.359 -3.034 -9.381 115 HZ2 TRP 18 HZ2 TRP 18 -2.270 -1.760 -14.057 116 HZ3 TRP 18 HZ3 TRP 18 -1.738 -4.314 -10.710 117 HH2 TRP 18 HH2 TRP 18 -1.208 -3.691 -12.997 118 H LYS 19 H LYS 19 -6.955 -3.320 -7.528 119 HA LYS 19 HA LYS 19 -7.943 -2.033 -5.147 120 HB2 LYS 19 HB2 LYS 19 -7.038 -4.769 -5.949 121 HB3 LYS 19 HB3 LYS 19 -7.082 -4.386 -4.246 122 HG2 LYS 19 HG2 LYS 19 -9.453 -3.960 -4.378 123 HG3 LYS 19 HG3 LYS 19 -9.417 -4.254 -6.124 124 HD2 LYS 19 HD2 LYS 19 -8.662 -6.529 -5.746 125 HD3 LYS 19 HD3 LYS 19 -8.618 -6.246 -4.006 126 HE2 LYS 19 HE2 LYS 19 -11.025 -5.896 -3.992 127 HE3 LYS 19 HE3 LYS 19 -11.077 -6.132 -5.743 128 HZ1 LYS 19 HZ1 LYS 19 -10.328 -8.374 -5.467 129 HZ2 LYS 19 HZ2 LYS 19 -11.678 -8.134 -4.468 130 HZ3 LYS 19 HZ3 LYS 19 -10.120 -8.157 -3.799 131 H ASP 20 H ASP 20 -6.435 -0.548 -4.316 132 HA ASP 20 HA ASP 20 -3.635 -1.042 -4.452 133 HB2 ASP 20 HB2 ASP 20 -5.282 0.974 -2.972 134 HB3 ASP 20 HB3 ASP 20 -3.555 0.823 -2.677 135 H THR 21 H THR 21 -2.332 -2.082 -3.164 136 HA THR 21 HA THR 21 -3.398 -3.080 -0.608 137 HB THR 21 HB THR 21 -2.469 -5.205 -0.900 138 HG1 THR 21 HG1 THR 21 -0.801 -3.953 -2.812 139 HG21 THR 21 HG21 THR 21 -3.101 -6.066 -3.104 140 HG22 THR 21 HG22 THR 21 -3.233 -4.415 -3.713 141 HG23 THR 21 HG23 THR 21 -4.332 -4.981 -2.455 142 H VAL 22 H VAL 22 -1.806 -3.461 1.022 143 HA VAL 22 HA VAL 22 0.758 -2.098 0.540 144 HB VAL 22 HB VAL 22 -0.857 -2.021 3.103 145 HG11 VAL 22 HG11 VAL 22 1.556 -2.148 3.565 146 HG12 VAL 22 HG12 VAL 22 0.890 -0.570 3.986 147 HG13 VAL 22 HG13 VAL 22 1.824 -0.765 2.503 148 HG21 VAL 22 HG21 VAL 22 -0.084 0.157 1.169 149 HG22 VAL 22 HG22 VAL 22 -0.973 0.379 2.677 150 HG23 VAL 22 HG23 VAL 22 -1.693 -0.540 1.354 151 H THR 23 H THR 23 2.392 -3.405 0.646 152 HA THR 23 HA THR 23 2.073 -5.961 2.046 153 HB THR 23 HB THR 23 4.133 -5.279 -0.058 154 HG1 THR 23 HG1 THR 23 1.505 -5.570 -0.378 155 HG21 THR 23 HG21 THR 23 4.619 -7.207 1.384 156 HG22 THR 23 HG22 THR 23 4.301 -7.699 -0.280 157 HG23 THR 23 HG23 THR 23 3.060 -7.912 0.956 158 H ILE 24 H ILE 24 2.992 -6.034 3.953 159 HA ILE 24 HA ILE 24 5.239 -4.274 4.616 160 HB ILE 24 HB ILE 24 3.411 -5.899 6.409 161 HG12 ILE 24 HG12 ILE 24 2.264 -4.056 5.189 162 HG13 ILE 24 HG13 ILE 24 2.259 -3.844 6.937 163 HG21 ILE 24 HG21 ILE 24 5.454 -3.802 7.140 164 HG22 ILE 24 HG22 ILE 24 5.558 -5.533 7.470 165 HG23 ILE 24 HG23 ILE 24 4.315 -4.558 8.255 166 HD11 ILE 24 HD11 ILE 24 4.060 -2.205 6.738 167 HD12 ILE 24 HD12 ILE 24 2.654 -1.744 5.776 168 HD13 ILE 24 HD13 ILE 24 4.074 -2.436 4.989 169 H GLU 25 H GLU 25 7.204 -5.195 4.414 170 HA GLU 25 HA GLU 25 7.509 -8.041 4.967 171 HB2 GLU 25 HB2 GLU 25 8.610 -7.288 2.955 172 HB3 GLU 25 HB3 GLU 25 9.434 -6.008 3.828 173 HG2 GLU 25 HG2 GLU 25 10.727 -7.634 5.054 174 HG3 GLU 25 HG3 GLU 25 9.877 -8.957 4.261 175 H VAL 26 H VAL 26 7.629 -8.498 6.991 176 HA VAL 26 HA VAL 26 9.225 -6.860 8.814 177 HB VAL 26 HB VAL 26 7.112 -8.984 9.307 178 HG11 VAL 26 HG11 VAL 26 8.850 -7.684 11.405 179 HG12 VAL 26 HG12 VAL 26 8.884 -9.389 10.951 180 HG13 VAL 26 HG13 VAL 26 7.444 -8.707 11.710 181 HG21 VAL 26 HG21 VAL 26 6.358 -6.728 8.821 182 HG22 VAL 26 HG22 VAL 26 7.377 -6.097 10.116 183 HG23 VAL 26 HG23 VAL 26 6.018 -7.155 10.498 184 H LYS 27 H LYS 27 11.098 -7.561 9.616 185 HA LYS 27 HA LYS 27 11.979 -10.298 9.342 186 HB2 LYS 27 HB2 LYS 27 12.383 -9.242 7.109 187 HB3 LYS 27 HB3 LYS 27 13.403 -8.057 7.899 188 HG2 LYS 27 HG2 LYS 27 15.085 -9.621 8.336 189 HG3 LYS 27 HG3 LYS 27 13.992 -10.989 8.074 190 HD2 LYS 27 HD2 LYS 27 15.444 -10.750 6.149 191 HD3 LYS 27 HD3 LYS 27 13.788 -10.351 5.701 192 HE2 LYS 27 HE2 LYS 27 14.484 -7.915 6.159 193 HE3 LYS 27 HE3 LYS 27 16.135 -8.531 6.073 194 HZ1 LYS 27 HZ1 LYS 27 15.549 -7.766 3.931 195 HZ2 LYS 27 HZ2 LYS 27 14.069 -8.581 3.950 196 HZ3 LYS 27 HZ3 LYS 27 15.516 -9.459 3.846 197 H ASN 28 H ASN 28 13.584 -10.737 10.793 198 HA ASN 28 HA ASN 28 14.716 -10.607 12.750 199 HB2 ASN 28 HB2 ASN 28 15.135 -7.673 12.109 200 HB3 ASN 28 HB3 ASN 28 16.003 -8.602 13.319 201 HD21 ASN 28 HD21 ASN 28 15.706 -7.813 9.997 202 HD22 ASN 28 HD22 ASN 28 17.107 -8.665 9.441 203 H GLY 29 H GLY 29 11.861 -10.208 12.681 204 HA2 GLY 29 HA2 GLY 29 10.311 -10.017 14.393 205 HA3 GLY 29 HA3 GLY 29 11.488 -9.128 15.334 206 H LYS 30 H LYS 30 11.777 -7.243 12.888 207 HA LYS 30 HA LYS 30 9.376 -5.652 13.523 208 HB2 LYS 30 HB2 LYS 30 10.818 -3.647 13.575 209 HB3 LYS 30 HB3 LYS 30 11.235 -4.803 14.831 210 HG2 LYS 30 HG2 LYS 30 13.152 -5.543 13.557 211 HG3 LYS 30 HG3 LYS 30 12.704 -4.477 12.222 212 HD2 LYS 30 HD2 LYS 30 12.930 -2.545 13.762 213 HD3 LYS 30 HD3 LYS 30 13.516 -3.652 15.006 214 HE2 LYS 30 HE2 LYS 30 15.374 -4.288 13.549 215 HE3 LYS 30 HE3 LYS 30 14.786 -3.172 12.317 216 HZ1 LYS 30 HZ1 LYS 30 15.109 -1.356 13.887 217 HZ2 LYS 30 HZ2 LYS 30 16.559 -2.175 13.578 218 HZ3 LYS 30 HZ3 LYS 30 15.731 -2.440 15.031 219 H ILE 31 H ILE 31 9.314 -3.624 11.895 220 HA ILE 31 HA ILE 31 9.165 -4.796 9.277 221 HB ILE 31 HB ILE 31 8.796 -1.876 9.992 222 HG12 ILE 31 HG12 ILE 31 6.694 -4.051 9.820 223 HG13 ILE 31 HG13 ILE 31 7.296 -3.356 11.319 224 HG21 ILE 31 HG21 ILE 31 9.102 -2.273 7.608 225 HG22 ILE 31 HG22 ILE 31 7.440 -1.793 7.950 226 HG23 ILE 31 HG23 ILE 31 7.819 -3.486 7.631 227 HD11 ILE 31 HD11 ILE 31 6.376 -1.193 10.705 228 HD12 ILE 31 HD12 ILE 31 5.124 -2.437 10.679 229 HD13 ILE 31 HD13 ILE 31 5.822 -1.853 9.166 230 H VAL 32 H VAL 32 10.700 -4.784 7.751 231 HA VAL 32 HA VAL 32 12.915 -2.869 8.063 232 HB VAL 32 HB VAL 32 14.301 -4.450 6.717 233 HG11 VAL 32 HG11 VAL 32 13.125 -5.566 9.257 234 HG12 VAL 32 HG12 VAL 32 14.483 -4.446 9.131 235 HG13 VAL 32 HG13 VAL 32 14.636 -6.093 8.515 236 HG21 VAL 32 HG21 VAL 32 13.559 -6.751 6.418 237 HG22 VAL 32 HG22 VAL 32 12.502 -5.624 5.566 238 HG23 VAL 32 HG23 VAL 32 11.983 -6.334 7.094 239 H SER 33 H SER 33 10.384 -4.020 6.030 240 HA SER 33 HA SER 33 11.130 -2.192 3.899 241 HB2 SER 33 HB2 SER 33 10.702 -5.147 3.398 242 HB3 SER 33 HB3 SER 33 10.968 -3.918 2.164 243 HG SER 33 HG SER 33 12.785 -5.347 3.240 244 H VAL 34 H VAL 34 9.449 -1.902 2.387 245 HA VAL 34 HA VAL 34 6.925 -3.193 2.782 246 HB VAL 34 HB VAL 34 6.627 -1.475 4.428 247 HG11 VAL 34 HG11 VAL 34 8.349 0.050 3.758 248 HG12 VAL 34 HG12 VAL 34 6.812 0.900 3.930 249 HG13 VAL 34 HG13 VAL 34 7.425 0.495 2.325 250 HG21 VAL 34 HG21 VAL 34 5.162 -0.700 1.912 251 HG22 VAL 34 HG22 VAL 34 4.727 -0.192 3.544 252 HG23 VAL 34 HG23 VAL 34 4.654 -1.899 3.103 253 H ASP 35 H ASP 35 5.738 -3.218 0.995 254 HA ASP 35 HA ASP 35 6.967 -2.108 -1.433 255 HB2 ASP 35 HB2 ASP 35 5.589 -4.774 -1.037 256 HB3 ASP 35 HB3 ASP 35 6.083 -4.132 -2.599 257 H TRP 36 H TRP 36 5.683 -1.249 -2.931 258 HA TRP 36 HA TRP 36 2.856 -0.955 -2.284 259 HB2 TRP 36 HB2 TRP 36 3.180 0.685 -4.411 260 HB3 TRP 36 HB3 TRP 36 3.385 1.187 -2.742 261 HD1 TRP 36 HD1 TRP 36 5.966 1.493 -1.878 262 HE1 TRP 36 HE1 TRP 36 8.098 2.104 -3.177 263 HE3 TRP 36 HE3 TRP 36 4.359 0.436 -6.620 264 HZ2 TRP 36 HZ2 TRP 36 8.975 2.157 -5.857 265 HZ3 TRP 36 HZ3 TRP 36 5.910 0.803 -8.495 266 HH2 TRP 36 HH2 TRP 36 8.169 1.646 -8.120 267 H ASN 37 H ASN 37 1.391 -2.029 -3.276 268 HA ASN 37 HA ASN 37 1.908 -3.435 -5.782 269 HB2 ASN 37 HB2 ASN 37 2.892 -4.861 -4.060 270 HB3 ASN 37 HB3 ASN 37 1.454 -4.735 -3.071 271 HD21 ASN 37 HD21 ASN 37 -0.135 -6.135 -3.332 272 HD22 ASN 37 HD22 ASN 37 -0.166 -7.395 -4.525 273 H ALA 38 H ALA 38 -0.236 -4.452 -6.600 274 HA ALA 38 HA ALA 38 -2.701 -3.628 -5.381 275 HB1 ALA 38 HB1 ALA 38 -3.363 -1.961 -7.023 276 HB2 ALA 38 HB2 ALA 38 -1.792 -2.097 -7.815 277 HB3 ALA 38 HB3 ALA 38 -1.904 -1.442 -6.179 278 H ILE 39 H ILE 39 -4.495 -4.599 -6.402 279 HA ILE 39 HA ILE 39 -3.742 -6.596 -8.445 280 HB ILE 39 HB ILE 39 -6.366 -6.532 -6.937 281 HG12 ILE 39 HG12 ILE 39 -3.848 -7.954 -6.031 282 HG13 ILE 39 HG13 ILE 39 -4.487 -6.491 -5.296 283 HG21 ILE 39 HG21 ILE 39 -6.339 -8.949 -7.392 284 HG22 ILE 39 HG22 ILE 39 -4.801 -8.771 -8.238 285 HG23 ILE 39 HG23 ILE 39 -6.255 -7.999 -8.876 286 HD11 ILE 39 HD11 ILE 39 -5.865 -9.161 -5.392 287 HD12 ILE 39 HD12 ILE 39 -6.513 -7.691 -4.663 288 HD13 ILE 39 HD13 ILE 39 -5.066 -8.446 -3.992 289 H ASN 40 H ASN 40 -4.576 -6.462 -10.536 290 HA ASN 40 HA ASN 40 -6.504 -4.296 -10.993 291 HB2 ASN 40 HB2 ASN 40 -4.426 -4.352 -12.391 292 HB3 ASN 40 HB3 ASN 40 -5.014 -5.853 -13.112 293 HD21 ASN 40 HD21 ASN 40 -5.780 -2.433 -12.667 294 HD22 ASN 40 HD22 ASN 40 -6.736 -2.285 -14.096 295 H LYS 41 H LYS 41 -8.426 -4.529 -11.845 296 HA LYS 41 HA LYS 41 -9.910 -6.855 -11.398 297 HB2 LYS 41 HB2 LYS 41 -10.802 -4.564 -11.340 298 HB3 LYS 41 HB3 LYS 41 -10.561 -4.426 -13.074 299 HG2 LYS 41 HG2 LYS 41 -12.183 -6.250 -13.404 300 HG3 LYS 41 HG3 LYS 41 -12.466 -6.268 -11.661 301 HD2 LYS 41 HD2 LYS 41 -13.292 -4.021 -11.713 302 HD3 LYS 41 HD3 LYS 41 -12.836 -3.846 -13.410 303 HE2 LYS 41 HE2 LYS 41 -14.419 -5.650 -13.973 304 HE3 LYS 41 HE3 LYS 41 -14.920 -5.701 -12.285 305 HZ1 LYS 41 HZ1 LYS 41 -15.640 -3.406 -12.472 306 HZ2 LYS 41 HZ2 LYS 41 -16.430 -4.378 -13.611 307 HZ3 LYS 41 HZ3 LYS 41 -15.165 -3.365 -14.096 308 H ASP 42 H ASP 42 -8.946 -5.371 -14.506 309 HA ASP 42 HA ASP 42 -10.241 -7.461 -16.011 310 HB2 ASP 42 HB2 ASP 42 -10.104 -4.999 -16.659 311 HB3 ASP 42 HB3 ASP 42 -8.433 -5.306 -17.109 312 H GLY 43 H GLY 43 -7.035 -6.713 -14.920 313 HA2 GLY 43 HA2 GLY 43 -5.613 -8.534 -16.585 314 HA3 GLY 43 HA3 GLY 43 -5.041 -7.841 -15.074 315 H GLY 44 H GLY 44 -6.768 -8.748 -13.222 316 HA2 GLY 44 HA2 GLY 44 -7.785 -10.703 -12.329 317 HA3 GLY 44 HA3 GLY 44 -6.954 -11.664 -13.544 318 H ASP 45 H ASP 45 -4.550 -9.853 -12.791 319 HA ASP 45 HA ASP 45 -3.681 -11.529 -10.548 320 HB2 ASP 45 HB2 ASP 45 -2.198 -10.649 -13.024 321 HB3 ASP 45 HB3 ASP 45 -1.363 -11.255 -11.597 322 H ASP 46 H ASP 46 -1.520 -10.535 -9.665 323 HA ASP 46 HA ASP 46 -2.351 -7.987 -8.536 324 HB2 ASP 46 HB2 ASP 46 -1.113 -10.233 -7.506 325 HB3 ASP 46 HB3 ASP 46 0.219 -9.092 -7.671 326 H LYS 47 H LYS 47 -0.403 -6.464 -7.989 327 HA LYS 47 HA LYS 47 0.760 -5.366 -10.302 328 HB2 LYS 47 HB2 LYS 47 0.473 -4.521 -7.765 329 HB3 LYS 47 HB3 LYS 47 2.155 -5.020 -7.698 330 HG2 LYS 47 HG2 LYS 47 2.396 -2.821 -8.246 331 HG3 LYS 47 HG3 LYS 47 2.331 -3.525 -9.867 332 HD2 LYS 47 HD2 LYS 47 0.015 -2.973 -10.082 333 HD3 LYS 47 HD3 LYS 47 -0.077 -2.479 -8.392 334 HE2 LYS 47 HE2 LYS 47 1.505 -0.648 -8.884 335 HE3 LYS 47 HE3 LYS 47 1.485 -1.126 -10.583 336 HZ1 LYS 47 HZ1 LYS 47 -0.946 -0.742 -10.558 337 HZ2 LYS 47 HZ2 LYS 47 -0.045 0.657 -10.279 338 HZ3 LYS 47 HZ3 LYS 47 -0.811 -0.124 -8.988 339 H ASP 48 H ASP 48 1.965 -7.607 -7.880 340 HA ASP 48 HA ASP 48 4.621 -7.899 -8.575 341 HB2 ASP 48 HB2 ASP 48 3.310 -8.873 -6.609 342 HB3 ASP 48 HB3 ASP 48 2.789 -10.144 -7.706 343 H THR 49 H THR 49 1.854 -9.822 -9.739 344 HA THR 49 HA THR 49 3.347 -11.382 -11.576 345 HB THR 49 HB THR 49 0.405 -10.919 -11.896 346 HG1 THR 49 HG1 THR 49 1.691 -12.424 -9.833 347 HG21 THR 49 HG21 THR 49 0.410 -13.306 -12.396 348 HG22 THR 49 HG22 THR 49 2.132 -13.396 -12.021 349 HG23 THR 49 HG23 THR 49 1.579 -12.463 -13.413 350 H LEU 50 H LEU 50 1.283 -8.493 -12.013 351 HA LEU 50 HA LEU 50 1.446 -8.562 -14.856 352 HB2 LEU 50 HB2 LEU 50 0.616 -6.292 -13.050 353 HB3 LEU 50 HB3 LEU 50 0.425 -6.313 -14.791 354 HG LEU 50 HG LEU 50 -0.969 -8.106 -12.796 355 HD11 LEU 50 HD11 LEU 50 -2.987 -7.026 -13.637 356 HD12 LEU 50 HD12 LEU 50 -2.003 -6.007 -14.688 357 HD13 LEU 50 HD13 LEU 50 -1.867 -5.858 -12.936 358 HD21 LEU 50 HD21 LEU 50 -0.424 -9.386 -14.808 359 HD22 LEU 50 HD22 LEU 50 -1.166 -8.137 -15.809 360 HD23 LEU 50 HD23 LEU 50 -2.158 -9.079 -14.694 361 H SER 51 H SER 51 3.390 -6.929 -12.413 362 HA SER 51 HA SER 51 4.920 -5.317 -14.186 363 HB2 SER 51 HB2 SER 51 4.846 -4.917 -11.764 364 HB3 SER 51 HB3 SER 51 5.620 -6.471 -11.470 365 HG SER 51 HG SER 51 7.500 -5.667 -12.034 366 H ARG 52 H ARG 52 5.295 -8.611 -12.968 367 HA ARG 52 HA ARG 52 7.890 -9.090 -14.041 368 HB2 ARG 52 HB2 ARG 52 6.853 -10.308 -12.116 369 HB3 ARG 52 HB3 ARG 52 5.745 -11.074 -13.244 370 HG2 ARG 52 HG2 ARG 52 7.790 -11.993 -14.417 371 HG3 ARG 52 HG3 ARG 52 8.716 -11.449 -13.015 372 HD2 ARG 52 HD2 ARG 52 8.142 -13.760 -12.708 373 HD3 ARG 52 HD3 ARG 52 7.208 -12.790 -11.570 374 HE ARG 52 HE ARG 52 5.705 -13.181 -13.929 375 HH11 ARG 52 HH11 ARG 52 6.826 -14.990 -11.139 376 HH12 ARG 52 HH12 ARG 52 5.516 -16.129 -11.200 377 HH21 ARG 52 HH21 ARG 52 3.992 -14.664 -13.998 378 HH22 ARG 52 HH22 ARG 52 3.896 -15.935 -12.820 379 H ASN 53 H ASN 53 4.617 -9.680 -15.151 380 HA ASN 53 HA ASN 53 5.434 -11.280 -17.412 381 HB2 ASN 53 HB2 ASN 53 2.756 -10.293 -16.427 382 HB3 ASN 53 HB3 ASN 53 2.940 -11.212 -17.915 383 HD21 ASN 53 HD21 ASN 53 1.550 -12.752 -16.963 384 HD22 ASN 53 HD22 ASN 53 2.152 -13.923 -15.845 385 H GLY 54 H GLY 54 4.218 -8.036 -16.836 386 HA2 GLY 54 HA2 GLY 54 4.606 -6.176 -18.251 387 HA3 GLY 54 HA3 GLY 54 4.912 -7.284 -19.580 388 H GLY 55 H GLY 55 2.116 -7.907 -17.657 389 HA2 GLY 55 HA2 GLY 55 0.434 -7.032 -19.913 390 HA3 GLY 55 HA3 GLY 55 0.019 -8.301 -18.771 391 H TYR 56 H TYR 56 1.168 -5.001 -18.363 392 HA TYR 56 HA TYR 56 -0.465 -4.455 -16.120 393 HB2 TYR 56 HB2 TYR 56 1.815 -3.493 -16.866 394 HB3 TYR 56 HB3 TYR 56 0.871 -2.399 -17.861 395 HD1 TYR 56 HD1 TYR 56 -0.515 -0.652 -16.813 396 HD2 TYR 56 HD2 TYR 56 1.958 -3.232 -14.510 397 HE1 TYR 56 HE1 TYR 56 -0.625 0.928 -14.939 398 HE2 TYR 56 HE2 TYR 56 1.853 -1.664 -12.625 399 HH TYR 56 HH TYR 56 -0.300 1.074 -12.633 400 H LYS 57 H LYS 57 -2.620 -4.810 -16.774 401 HA LYS 57 HA LYS 57 -3.846 -3.050 -18.714 402 HB2 LYS 57 HB2 LYS 57 -4.933 -5.116 -16.806 403 HB3 LYS 57 HB3 LYS 57 -5.964 -4.143 -17.843 404 HG2 LYS 57 HG2 LYS 57 -4.822 -5.078 -19.811 405 HG3 LYS 57 HG3 LYS 57 -3.857 -6.099 -18.737 406 HD2 LYS 57 HD2 LYS 57 -5.770 -7.263 -17.979 407 HD3 LYS 57 HD3 LYS 57 -6.862 -6.095 -18.720 408 HE2 LYS 57 HE2 LYS 57 -6.019 -6.818 -20.943 409 HE3 LYS 57 HE3 LYS 57 -5.084 -8.075 -20.128 410 HZ1 LYS 57 HZ1 LYS 57 -7.087 -9.054 -19.312 411 HZ2 LYS 57 HZ2 LYS 57 -7.255 -8.844 -20.985 412 HZ3 LYS 57 HZ3 LYS 57 -8.029 -7.779 -19.912 413 H MET 58 H MET 58 -5.105 -1.267 -18.277 414 HA MET 58 HA MET 58 -5.764 -0.679 -15.457 415 HB2 MET 58 HB2 MET 58 -4.957 1.357 -17.561 416 HB3 MET 58 HB3 MET 58 -5.537 1.743 -15.950 417 HG2 MET 58 HG2 MET 58 -3.572 0.783 -14.952 418 HG3 MET 58 HG3 MET 58 -3.026 0.190 -16.519 419 HE1 MET 58 HE1 MET 58 -3.680 3.366 -14.300 420 HE2 MET 58 HE2 MET 58 -4.655 3.700 -15.733 421 HE3 MET 58 HE3 MET 58 -3.221 4.669 -15.400 422 H VAL 59 H VAL 59 -7.973 -0.078 -15.185 423 HA VAL 59 HA VAL 59 -9.575 -0.506 -17.559 424 HB VAL 59 HB VAL 59 -11.476 -0.801 -16.264 425 HG11 VAL 59 HG11 VAL 59 -10.867 -2.259 -14.397 426 HG12 VAL 59 HG12 VAL 59 -9.209 -1.664 -14.483 427 HG13 VAL 59 HG13 VAL 59 -9.893 -2.569 -15.835 428 HG21 VAL 59 HG21 VAL 59 -11.781 -0.065 -13.940 429 HG22 VAL 59 HG22 VAL 59 -11.515 1.288 -15.040 430 HG23 VAL 59 HG23 VAL 59 -10.207 0.731 -13.995 431 H GLU 60 H GLU 60 -8.256 2.130 -15.982 432 HA GLU 60 HA GLU 60 -9.761 3.920 -17.738 433 HB2 GLU 60 HB2 GLU 60 -10.562 4.194 -15.386 434 HB3 GLU 60 HB3 GLU 60 -8.920 4.584 -14.902 435 HG2 GLU 60 HG2 GLU 60 -10.253 6.584 -15.121 436 HG3 GLU 60 HG3 GLU 60 -8.963 6.558 -16.319 437 H TYR 61 H TYR 61 -8.318 4.524 -19.198 438 HA TYR 61 HA TYR 61 -5.512 4.819 -18.450 439 HB2 TYR 61 HB2 TYR 61 -6.861 4.852 -21.152 440 HB3 TYR 61 HB3 TYR 61 -5.133 5.067 -20.908 441 HD1 TYR 61 HD1 TYR 61 -3.949 3.125 -19.589 442 HD2 TYR 61 HD2 TYR 61 -7.679 2.746 -21.591 443 HE1 TYR 61 HE1 TYR 61 -3.635 0.694 -19.704 444 HE2 TYR 61 HE2 TYR 61 -7.379 0.314 -21.711 445 HH TYR 61 HH TYR 61 -5.588 -1.319 -21.653 446 H GLY 62 H GLY 62 -8.290 6.707 -19.051 447 HA2 GLY 62 HA2 GLY 62 -6.638 9.153 -19.194 448 HA3 GLY 62 HA3 GLY 62 -8.230 9.007 -19.932 449 H GLY 63 H GLY 63 -6.788 8.404 -16.727 450 HA2 GLY 63 HA2 GLY 63 -8.784 10.169 -15.534 451 HA3 GLY 63 HA3 GLY 63 -8.815 8.482 -15.042 452 H ALA 64 H ALA 64 -8.433 9.261 -12.910 453 HA ALA 64 HA ALA 64 -5.996 10.664 -12.295 454 HB1 ALA 64 HB1 ALA 64 -8.043 11.062 -11.015 455 HB2 ALA 64 HB2 ALA 64 -6.726 10.496 -9.985 456 HB3 ALA 64 HB3 ALA 64 -8.013 9.388 -10.458 457 H GLN 65 H GLN 65 -4.596 9.804 -10.502 458 HA GLN 65 HA GLN 65 -3.793 7.105 -11.188 459 HB2 GLN 65 HB2 GLN 65 -2.389 9.190 -9.507 460 HB3 GLN 65 HB3 GLN 65 -1.742 7.602 -9.888 461 HG2 GLN 65 HG2 GLN 65 -2.372 9.783 -11.870 462 HG3 GLN 65 HG3 GLN 65 -0.765 9.313 -11.311 463 HE21 GLN 65 HE21 GLN 65 -3.424 8.542 -13.377 464 HE22 GLN 65 HE22 GLN 65 -2.676 7.238 -14.218 465 H ALA 66 H ALA 66 -5.354 5.944 -10.253 466 HA ALA 66 HA ALA 66 -5.704 6.008 -7.350 467 HB1 ALA 66 HB1 ALA 66 -7.696 5.847 -8.768 468 HB2 ALA 66 HB2 ALA 66 -7.510 4.399 -7.778 469 HB3 ALA 66 HB3 ALA 66 -7.072 4.360 -9.485 470 H GLU 67 H GLU 67 -3.171 5.350 -8.064 471 HA GLU 67 HA GLU 67 -2.905 2.480 -7.527 472 HB2 GLU 67 HB2 GLU 67 -1.242 3.908 -9.614 473 HB3 GLU 67 HB3 GLU 67 -1.253 2.196 -9.245 474 HG2 GLU 67 HG2 GLU 67 -3.345 1.882 -10.278 475 HG3 GLU 67 HG3 GLU 67 -3.629 3.618 -10.388 476 H TRP 68 H TRP 68 -1.181 2.064 -6.181 477 HA TRP 68 HA TRP 68 0.692 4.121 -5.497 478 HB2 TRP 68 HB2 TRP 68 0.678 1.148 -4.930 479 HB3 TRP 68 HB3 TRP 68 1.901 2.261 -4.325 480 HD1 TRP 68 HD1 TRP 68 -0.868 0.561 -2.973 481 HE1 TRP 68 HE1 TRP 68 -2.087 1.879 -1.127 482 HE3 TRP 68 HE3 TRP 68 1.042 5.214 -3.887 483 HZ2 TRP 68 HZ2 TRP 68 -2.215 4.547 -0.195 484 HZ3 TRP 68 HZ3 TRP 68 0.325 7.077 -2.479 485 HH2 TRP 68 HH2 TRP 68 -1.266 6.757 -0.668 486 H HIS 69 H HIS 69 1.704 4.875 -7.211 487 HA HIS 69 HA HIS 69 3.196 3.073 -8.977 488 HB2 HIS 69 HB2 HIS 69 1.867 5.615 -9.314 489 HB3 HIS 69 HB3 HIS 69 3.563 5.787 -9.754 490 HD1 HIS 69 HD1 HIS 69 0.366 4.718 -11.104 491 HD2 HIS 69 HD2 HIS 69 4.365 3.806 -11.783 492 HE1 HIS 69 HE1 HIS 69 0.436 3.606 -13.354 493 HE2 HIS 69 HE2 HIS 69 2.827 2.880 -13.645 494 H GLU 70 H GLU 70 5.141 5.354 -9.530 495 HA GLU 70 HA GLU 70 7.036 4.460 -7.550 496 HB2 GLU 70 HB2 GLU 70 7.376 6.217 -9.981 497 HB3 GLU 70 HB3 GLU 70 8.690 5.800 -8.893 498 HG2 GLU 70 HG2 GLU 70 8.901 4.319 -10.679 499 HG3 GLU 70 HG3 GLU 70 8.142 3.370 -9.408 500 H GLN 71 H GLN 71 4.876 6.978 -7.532 501 HA GLN 71 HA GLN 71 6.502 8.816 -5.984 502 HB2 GLN 71 HB2 GLN 71 4.548 9.520 -7.458 503 HB3 GLN 71 HB3 GLN 71 3.491 8.810 -6.245 504 HG2 GLN 71 HG2 GLN 71 4.383 10.343 -4.566 505 HG3 GLN 71 HG3 GLN 71 5.440 11.056 -5.779 506 HE21 GLN 71 HE21 GLN 71 4.597 13.071 -5.561 507 HE22 GLN 71 HE22 GLN 71 3.015 13.499 -6.130 508 H ALA 72 H ALA 72 4.712 5.973 -5.494 509 HA ALA 72 HA ALA 72 4.072 6.259 -2.734 510 HB1 ALA 72 HB1 ALA 72 3.644 3.885 -2.743 511 HB2 ALA 72 HB2 ALA 72 4.405 3.732 -4.327 512 HB3 ALA 72 HB3 ALA 72 2.906 4.649 -4.150 513 H GLU 73 H GLU 73 6.934 5.465 -4.482 514 HA GLU 73 HA GLU 73 8.564 4.256 -2.575 515 HB2 GLU 73 HB2 GLU 73 9.138 4.768 -4.974 516 HB3 GLU 73 HB3 GLU 73 9.464 6.422 -4.474 517 HG2 GLU 73 HG2 GLU 73 11.174 5.558 -2.899 518 HG3 GLU 73 HG3 GLU 73 10.893 3.943 -3.543 519 H LYS 74 H LYS 74 7.533 7.635 -2.722 520 HA LYS 74 HA LYS 74 9.231 8.607 -0.637 521 HB2 LYS 74 HB2 LYS 74 6.547 9.607 -1.614 522 HB3 LYS 74 HB3 LYS 74 7.578 10.468 -0.481 523 HG2 LYS 74 HG2 LYS 74 8.275 9.781 -3.329 524 HG3 LYS 74 HG3 LYS 74 7.770 11.364 -2.733 525 HD2 LYS 74 HD2 LYS 74 9.753 11.388 -1.248 526 HD3 LYS 74 HD3 LYS 74 10.268 9.856 -1.958 527 HE2 LYS 74 HE2 LYS 74 10.272 10.982 -4.183 528 HE3 LYS 74 HE3 LYS 74 9.964 12.508 -3.353 529 HZ1 LYS 74 HZ1 LYS 74 12.289 12.328 -3.714 530 HZ2 LYS 74 HZ2 LYS 74 12.343 10.758 -3.084 531 HZ3 LYS 74 HZ3 LYS 74 12.032 12.070 -2.057 532 H VAL 75 H VAL 75 6.082 7.119 -0.753 533 HA VAL 75 HA VAL 75 5.261 7.731 1.908 534 HB VAL 75 HB VAL 75 4.137 5.574 0.112 535 HG11 VAL 75 HG11 VAL 75 2.046 6.061 1.257 536 HG12 VAL 75 HG12 VAL 75 2.873 7.257 2.255 537 HG13 VAL 75 HG13 VAL 75 3.306 5.551 2.381 538 HG21 VAL 75 HG21 VAL 75 4.259 7.632 -1.182 539 HG22 VAL 75 HG22 VAL 75 3.430 8.505 0.109 540 HG23 VAL 75 HG23 VAL 75 2.587 7.236 -0.781 541 H GLU 76 H GLU 76 6.711 4.922 0.333 542 HA GLU 76 HA GLU 76 6.342 3.098 2.457 543 HB2 GLU 76 HB2 GLU 76 8.042 1.700 1.247 544 HB3 GLU 76 HB3 GLU 76 6.646 2.181 0.295 545 HG2 GLU 76 HG2 GLU 76 7.883 3.306 -1.164 546 HG3 GLU 76 HG3 GLU 76 8.864 4.043 0.096 547 H ALA 77 H ALA 77 9.140 5.128 1.574 548 HA ALA 77 HA ALA 77 10.902 4.196 3.551 549 HB1 ALA 77 HB1 ALA 77 12.156 6.236 3.170 550 HB2 ALA 77 HB2 ALA 77 10.772 6.947 2.339 551 HB3 ALA 77 HB3 ALA 77 11.598 5.553 1.642 552 H TYR 78 H TYR 78 8.312 6.515 3.691 553 HA TYR 78 HA TYR 78 8.905 7.590 6.254 554 HB2 TYR 78 HB2 TYR 78 7.496 8.654 4.439 555 HB3 TYR 78 HB3 TYR 78 6.213 7.535 4.890 556 HD1 TYR 78 HD2 TYR 78 8.527 9.988 6.480 557 HD2 TYR 78 HD1 TYR 78 4.642 8.264 6.411 558 HE1 TYR 78 HE2 TYR 78 7.823 11.523 8.259 559 HE2 TYR 78 HE1 TYR 78 3.931 9.797 8.188 560 HH TYR 78 HH TYR 78 5.867 12.451 9.224 561 H LEU 79 H LEU 79 7.017 4.819 5.146 562 HA LEU 79 HA LEU 79 5.845 4.176 7.659 563 HB2 LEU 79 HB2 LEU 79 5.141 3.354 5.368 564 HB3 LEU 79 HB3 LEU 79 6.510 2.279 5.411 565 HG LEU 79 HG LEU 79 4.161 1.357 5.957 566 HD11 LEU 79 HD11 LEU 79 6.141 0.014 6.215 567 HD12 LEU 79 HD12 LEU 79 5.035 -0.264 7.561 568 HD13 LEU 79 HD13 LEU 79 6.467 0.743 7.788 569 HD21 LEU 79 HD21 LEU 79 3.486 3.043 7.557 570 HD22 LEU 79 HD22 LEU 79 4.818 2.596 8.623 571 HD23 LEU 79 HD23 LEU 79 3.514 1.448 8.311 572 H VAL 80 H VAL 80 8.839 3.196 6.031 573 HA VAL 80 HA VAL 80 9.659 1.231 7.862 574 HB VAL 80 HB VAL 80 11.395 2.956 6.069 575 HG11 VAL 80 HG11 VAL 80 13.075 1.183 6.254 576 HG12 VAL 80 HG12 VAL 80 12.053 0.332 7.413 577 HG13 VAL 80 HG13 VAL 80 12.731 1.906 7.826 578 HG21 VAL 80 HG21 VAL 80 11.344 1.027 4.551 579 HG22 VAL 80 HG22 VAL 80 9.736 1.699 4.820 580 HG23 VAL 80 HG23 VAL 80 10.217 0.211 5.638 581 H GLU 81 H GLU 81 10.316 4.750 7.831 582 HA GLU 81 HA GLU 81 12.123 4.649 10.023 583 HB2 GLU 81 HB2 GLU 81 11.895 7.086 10.143 584 HB3 GLU 81 HB3 GLU 81 12.174 6.538 8.498 585 HG2 GLU 81 HG2 GLU 81 9.811 6.835 7.991 586 HG3 GLU 81 HG3 GLU 81 9.514 7.332 9.655 587 H LYS 82 H LYS 82 8.611 4.902 9.857 588 HA LYS 82 HA LYS 82 8.323 5.699 12.602 589 HB2 LYS 82 HB2 LYS 82 6.385 4.785 10.505 590 HB3 LYS 82 HB3 LYS 82 5.885 4.994 12.174 591 HG2 LYS 82 HG2 LYS 82 6.913 7.373 11.882 592 HG3 LYS 82 HG3 LYS 82 6.691 7.025 10.161 593 HD2 LYS 82 HD2 LYS 82 4.330 6.451 10.627 594 HD3 LYS 82 HD3 LYS 82 4.580 6.928 12.305 595 HE2 LYS 82 HE2 LYS 82 4.780 8.688 9.873 596 HE3 LYS 82 HE3 LYS 82 3.517 8.715 11.099 597 HZ1 LYS 82 HZ1 LYS 82 5.100 10.497 11.414 598 HZ2 LYS 82 HZ2 LYS 82 6.376 9.391 11.538 599 HZ3 LYS 82 HZ3 LYS 82 5.166 9.422 12.723 600 H GLN 83 H GLN 83 8.345 2.661 10.866 601 HA GLN 83 HA GLN 83 7.970 0.480 11.385 602 HB2 GLN 83 HB2 GLN 83 8.508 1.404 14.218 603 HB3 GLN 83 HB3 GLN 83 8.316 -0.278 13.749 604 HG2 GLN 83 HG2 GLN 83 10.428 1.546 12.633 605 HG3 GLN 83 HG3 GLN 83 10.668 0.473 14.012 606 HE21 GLN 83 HE21 GLN 83 10.164 0.672 10.598 607 HE22 GLN 83 HE22 GLN 83 10.611 -0.963 10.243 608 H ASP 84 H ASP 84 5.723 2.500 11.451 609 HA ASP 84 HA ASP 84 3.876 1.142 13.272 610 HB2 ASP 84 HB2 ASP 84 5.042 3.343 14.125 611 HB3 ASP 84 HB3 ASP 84 3.870 4.134 13.075 612 HA PRO 85 HA PRO 85 1.678 1.497 9.297 613 HB2 PRO 85 HB2 PRO 85 -0.164 -0.396 9.866 614 HB3 PRO 85 HB3 PRO 85 1.481 -0.773 9.356 615 HG2 PRO 85 HG2 PRO 85 0.328 -0.726 12.122 616 HG3 PRO 85 HG3 PRO 85 1.354 -1.960 11.362 617 HD2 PRO 85 HD2 PRO 85 2.357 -0.109 13.028 618 HD3 PRO 85 HD3 PRO 85 3.275 -0.714 11.636 619 H THR 86 H THR 86 0.580 2.288 12.469 620 HA THR 86 HA THR 86 -2.001 3.162 11.366 621 HB THR 86 HB THR 86 -2.362 1.402 12.989 622 HG1 THR 86 HG1 THR 86 -4.000 2.843 13.137 623 HG21 THR 86 HG21 THR 86 -1.816 1.657 15.356 624 HG22 THR 86 HG22 THR 86 -0.925 3.133 14.989 625 HG23 THR 86 HG23 THR 86 -0.366 1.585 14.353 626 H ASP 87 H ASP 87 0.934 4.306 12.640 627 HA ASP 87 HA ASP 87 -0.217 6.727 13.768 628 HB2 ASP 87 HB2 ASP 87 1.850 5.610 14.704 629 HB3 ASP 87 HB3 ASP 87 2.705 6.149 13.261 630 H ILE 88 H ILE 88 -0.929 8.230 12.443 631 HA ILE 88 HA ILE 88 0.774 9.557 10.623 632 HB ILE 88 HB ILE 88 0.212 7.563 9.228 633 HG12 ILE 88 HG12 ILE 88 -0.567 8.814 7.200 634 HG13 ILE 88 HG13 ILE 88 -0.879 10.203 8.233 635 HG21 ILE 88 HG21 ILE 88 -2.627 8.558 9.414 636 HG22 ILE 88 HG22 ILE 88 -1.989 7.043 10.056 637 HG23 ILE 88 HG23 ILE 88 -2.058 7.303 8.312 638 HD11 ILE 88 HD11 ILE 88 1.491 10.315 8.804 639 HD12 ILE 88 HD12 ILE 88 1.235 10.425 7.061 640 HD13 ILE 88 HD13 ILE 88 1.802 8.916 7.775 641 H LYS 89 H LYS 89 -0.133 11.564 9.978 642 HA LYS 89 HA LYS 89 -2.919 12.045 10.776 643 HB2 LYS 89 HB2 LYS 89 -1.165 13.092 12.320 644 HB3 LYS 89 HB3 LYS 89 -0.761 14.144 10.971 645 HG2 LYS 89 HG2 LYS 89 -2.257 15.313 12.411 646 HG3 LYS 89 HG3 LYS 89 -3.130 14.902 10.933 647 HD2 LYS 89 HD2 LYS 89 -4.132 12.967 12.081 648 HD3 LYS 89 HD3 LYS 89 -3.282 13.418 13.561 649 HE2 LYS 89 HE2 LYS 89 -4.467 15.596 13.512 650 HE3 LYS 89 HE3 LYS 89 -5.377 15.028 12.113 651 HZ1 LYS 89 HZ1 LYS 89 -5.389 13.794 14.812 652 HZ2 LYS 89 HZ2 LYS 89 -6.248 13.224 13.467 653 HZ3 LYS 89 HZ3 LYS 89 -6.633 14.729 14.141 654 H TYR 90 H TYR 90 -4.133 12.654 9.124 655 HA TYR 90 HA TYR 90 -2.836 13.957 6.808 656 HB2 TYR 90 HB2 TYR 90 -5.599 12.728 6.807 657 HB3 TYR 90 HB3 TYR 90 -4.647 13.245 5.426 658 HD1 TYR 90 HD2 TYR 90 -2.377 11.967 5.109 659 HD2 TYR 90 HD1 TYR 90 -5.696 10.527 7.317 660 HE1 TYR 90 HE2 TYR 90 -1.541 9.671 4.850 661 HE2 TYR 90 HE1 TYR 90 -4.877 8.224 7.071 662 HH TYR 90 HH TYR 90 -1.765 7.503 6.029 663 H LYS 91 H LYS 91 -3.684 15.835 6.009 664 HA LYS 91 HA LYS 91 -5.969 16.998 7.435 665 HB2 LYS 91 HB2 LYS 91 -4.546 19.234 6.691 666 HB3 LYS 91 HB3 LYS 91 -4.570 18.542 8.301 667 HG2 LYS 91 HG2 LYS 91 -2.306 18.963 7.795 668 HG3 LYS 91 HG3 LYS 91 -2.514 17.224 7.651 669 HD2 LYS 91 HD2 LYS 91 -1.138 17.921 5.840 670 HD3 LYS 91 HD3 LYS 91 -2.724 17.559 5.161 671 HE2 LYS 91 HE2 LYS 91 -3.266 19.921 5.122 672 HE3 LYS 91 HE3 LYS 91 -1.712 20.317 5.857 673 HZ1 LYS 91 HZ1 LYS 91 -1.475 20.683 3.573 674 HZ2 LYS 91 HZ2 LYS 91 -2.251 19.239 3.156 675 HZ3 LYS 91 HZ3 LYS 91 -0.706 19.199 3.844 676 H ASP 92 H ASP 92 -7.146 16.036 5.596 677 HA ASP 92 HA ASP 92 -7.558 18.037 3.536 678 HB2 ASP 92 HB2 ASP 92 -5.694 16.336 2.860 679 HB3 ASP 92 HB3 ASP 92 -6.994 15.163 2.759 680 H ASN 93 H ASN 93 -9.303 16.687 1.935 681 HA ASN 93 HA ASN 93 -11.341 15.574 3.734 682 HB2 ASN 93 HB2 ASN 93 -11.520 16.766 0.965 683 HB3 ASN 93 HB3 ASN 93 -12.854 15.894 1.709 684 HD21 ASN 93 HD21 ASN 93 -13.897 16.791 3.505 685 HD22 ASN 93 HD22 ASN 93 -13.758 18.474 3.885 686 H ASP 94 H ASP 94 -8.846 14.374 2.183 687 HA ASP 94 HA ASP 94 -10.227 11.874 1.476 688 HB2 ASP 94 HB2 ASP 94 -9.285 13.279 -0.574 689 HB3 ASP 94 HB3 ASP 94 -7.734 12.698 -0.004 690 H GLY 95 H GLY 95 -6.993 13.314 1.904 691 HA2 GLY 95 HA2 GLY 95 -6.054 12.107 4.101 692 HA3 GLY 95 HA3 GLY 95 -5.982 10.802 2.930 693 H HIS 96 H HIS 96 -5.294 14.278 2.580 694 HA HIS 96 HA HIS 96 -2.691 13.646 1.443 695 HB2 HIS 96 HB2 HIS 96 -4.275 16.171 1.768 696 HB3 HIS 96 HB3 HIS 96 -2.543 16.277 1.489 697 HD1 HIS 96 HD1 HIS 96 -5.029 17.127 -0.441 698 HD2 HIS 96 HD2 HIS 96 -2.486 13.858 -0.851 699 HE1 HIS 96 HE1 HIS 96 -5.059 16.548 -2.889 700 HE2 HIS 96 HE2 HIS 96 -3.388 14.692 -3.135 701 H THR 97 H THR 97 -0.814 13.760 2.489 702 HA THR 97 HA THR 97 -0.832 14.956 5.164 703 HB THR 97 HB THR 97 -0.789 12.572 5.505 704 HG1 THR 97 HG1 THR 97 0.499 13.431 7.009 705 HG21 THR 97 HG21 THR 97 1.641 12.490 3.724 706 HG22 THR 97 HG22 THR 97 0.048 11.830 3.350 707 HG23 THR 97 HG23 THR 97 1.004 11.139 4.662 708 H ASP 98 H ASP 98 0.785 16.240 5.690 709 HA ASP 98 HA ASP 98 2.613 17.004 3.516 710 HB2 ASP 98 HB2 ASP 98 0.981 18.677 4.494 711 HB3 ASP 98 HB3 ASP 98 1.868 18.557 6.007 712 H ALA 99 H ALA 99 2.526 15.132 6.168 713 HA ALA 99 HA ALA 99 4.961 15.809 7.497 714 HB1 ALA 99 HB1 ALA 99 3.268 13.322 7.655 715 HB2 ALA 99 HB2 ALA 99 3.105 14.760 8.664 716 HB3 ALA 99 HB3 ALA 99 4.559 13.766 8.772 717 H ILE 100 H ILE 100 4.126 13.755 4.790 718 HA ILE 100 HA ILE 100 6.685 12.397 4.782 719 HB ILE 100 HB ILE 100 4.593 12.486 2.588 720 HG12 ILE 100 HG12 ILE 100 5.088 10.442 4.764 721 HG13 ILE 100 HG13 ILE 100 3.681 11.483 4.612 722 HG21 ILE 100 HG21 ILE 100 6.821 11.907 1.754 723 HG22 ILE 100 HG22 ILE 100 5.752 10.507 1.701 724 HG23 ILE 100 HG23 ILE 100 6.963 10.641 2.976 725 HD11 ILE 100 HD11 ILE 100 3.045 10.321 2.560 726 HD12 ILE 100 HD12 ILE 100 3.183 9.213 3.925 727 HD13 ILE 100 HD13 ILE 100 4.463 9.282 2.713 728 H SER 101 H SER 101 5.022 14.562 2.515 729 HA SER 101 HA SER 101 5.648 16.241 1.143 730 HB2 SER 101 HB2 SER 101 8.291 16.221 2.624 731 HB3 SER 101 HB3 SER 101 7.807 17.425 1.427 732 HG SER 101 HG SER 101 6.207 16.869 3.694 733 H GLY 102 H GLY 102 5.740 15.641 -0.886 734 HA2 GLY 102 HA2 GLY 102 7.366 15.097 -2.723 735 HA3 GLY 102 HA3 GLY 102 7.859 13.748 -1.706 736 H ALA 103 H ALA 103 5.070 13.368 -0.809 737 HA ALA 103 HA ALA 103 3.989 12.074 -3.215 738 HB1 ALA 103 HB1 ALA 103 3.546 11.349 -0.319 739 HB2 ALA 103 HB2 ALA 103 4.607 10.502 -1.445 740 HB3 ALA 103 HB3 ALA 103 2.864 10.512 -1.714 741 H THR 104 H THR 104 2.602 13.462 -4.052 742 HA THR 104 HA THR 104 0.840 15.016 -2.309 743 HB THR 104 HB THR 104 0.740 15.466 -5.239 744 HG1 THR 104 HG1 THR 104 2.808 15.925 -5.472 745 HG21 THR 104 HG21 THR 104 0.829 17.807 -4.523 746 HG22 THR 104 HG22 THR 104 1.135 17.295 -2.864 747 HG23 THR 104 HG23 THR 104 -0.411 16.926 -3.630 748 H ILE 105 H ILE 105 0.743 12.089 -3.671 749 HA ILE 105 HA ILE 105 -2.076 12.075 -4.370 750 HB ILE 105 HB ILE 105 -0.353 10.699 -5.569 751 HG12 ILE 105 HG12 ILE 105 -2.892 10.075 -5.331 752 HG13 ILE 105 HG13 ILE 105 -1.774 8.983 -6.123 753 HG21 ILE 105 HG21 ILE 105 1.094 10.069 -3.786 754 HG22 ILE 105 HG22 ILE 105 0.480 8.610 -4.566 755 HG23 ILE 105 HG23 ILE 105 -0.181 9.128 -3.013 756 HD11 ILE 105 HD11 ILE 105 -3.342 7.799 -4.702 757 HD12 ILE 105 HD12 ILE 105 -2.799 8.721 -3.300 758 HD13 ILE 105 HD13 ILE 105 -1.692 7.607 -4.105 759 H LYS 106 H LYS 106 -3.688 11.001 -2.994 760 HA LYS 106 HA LYS 106 -3.258 11.429 -0.251 761 HB2 LYS 106 HB2 LYS 106 -5.496 10.023 -0.096 762 HB3 LYS 106 HB3 LYS 106 -5.456 11.691 -0.633 763 HG2 LYS 106 HG2 LYS 106 -6.857 10.699 -2.164 764 HG3 LYS 106 HG3 LYS 106 -5.310 10.678 -3.007 765 HD2 LYS 106 HD2 LYS 106 -4.990 8.360 -2.479 766 HD3 LYS 106 HD3 LYS 106 -6.412 8.359 -1.434 767 HE2 LYS 106 HE2 LYS 106 -6.482 8.921 -4.391 768 HE3 LYS 106 HE3 LYS 106 -6.786 7.340 -3.674 769 HZ1 LYS 106 HZ1 LYS 106 -8.670 8.220 -2.514 770 HZ2 LYS 106 HZ2 LYS 106 -8.828 8.596 -4.155 771 HZ3 LYS 106 HZ3 LYS 106 -8.351 9.792 -3.054 772 H VAL 107 H VAL 107 -2.388 10.366 1.212 773 HA VAL 107 HA VAL 107 -1.241 7.755 0.726 774 HB VAL 107 HB VAL 107 -0.817 9.957 2.758 775 HG11 VAL 107 HG11 VAL 107 0.692 7.350 2.723 776 HG12 VAL 107 HG12 VAL 107 -0.427 7.872 3.982 777 HG13 VAL 107 HG13 VAL 107 1.070 8.766 3.708 778 HG21 VAL 107 HG21 VAL 107 1.370 10.098 1.713 779 HG22 VAL 107 HG22 VAL 107 0.079 10.261 0.519 780 HG23 VAL 107 HG23 VAL 107 0.962 8.738 0.667 781 H LYS 108 H LYS 108 -4.111 8.772 1.904 782 HA LYS 108 HA LYS 108 -4.561 7.548 4.360 783 HB2 LYS 108 HB2 LYS 108 -6.018 9.213 3.128 784 HB3 LYS 108 HB3 LYS 108 -6.599 7.884 2.144 785 HG2 LYS 108 HG2 LYS 108 -6.842 7.659 5.101 786 HG3 LYS 108 HG3 LYS 108 -7.929 8.751 4.245 787 HD2 LYS 108 HD2 LYS 108 -8.587 6.855 2.774 788 HD3 LYS 108 HD3 LYS 108 -7.584 5.791 3.763 789 HE2 LYS 108 HE2 LYS 108 -8.938 6.465 5.734 790 HE3 LYS 108 HE3 LYS 108 -10.000 7.355 4.643 791 HZ1 LYS 108 HZ1 LYS 108 -10.396 5.239 3.465 792 HZ2 LYS 108 HZ2 LYS 108 -10.936 5.225 5.071 793 HZ3 LYS 108 HZ3 LYS 108 -9.497 4.431 4.656 794 H LYS 109 H LYS 109 -4.810 6.176 1.104 795 HA LYS 109 HA LYS 109 -5.970 3.706 1.777 796 HB2 LYS 109 HB2 LYS 109 -5.775 4.718 -0.504 797 HB3 LYS 109 HB3 LYS 109 -4.064 4.319 -0.484 798 HG2 LYS 109 HG2 LYS 109 -4.978 2.584 -1.693 799 HG3 LYS 109 HG3 LYS 109 -4.866 1.902 -0.071 800 HD2 LYS 109 HD2 LYS 109 -7.003 1.333 -1.004 801 HD3 LYS 109 HD3 LYS 109 -7.249 2.508 0.289 802 HE2 LYS 109 HE2 LYS 109 -8.649 3.068 -1.614 803 HE3 LYS 109 HE3 LYS 109 -7.405 4.298 -1.401 804 HZ1 LYS 109 HZ1 LYS 109 -7.598 3.765 -3.706 805 HZ2 LYS 109 HZ2 LYS 109 -7.424 2.115 -3.413 806 HZ3 LYS 109 HZ3 LYS 109 -6.112 3.159 -3.167 807 H PHE 110 H PHE 110 -2.609 4.774 1.699 808 HA PHE 110 HA PHE 110 -1.380 2.254 1.863 809 HB2 PHE 110 HB2 PHE 110 -0.202 4.259 1.108 810 HB3 PHE 110 HB3 PHE 110 -0.356 4.972 2.708 811 HD1 PHE 110 HD1 PHE 110 1.250 2.247 0.797 812 HD2 PHE 110 HD2 PHE 110 1.164 4.502 4.396 813 HE1 PHE 110 HE1 PHE 110 3.393 1.241 1.479 814 HE2 PHE 110 HE2 PHE 110 3.288 3.502 5.085 815 HZ PHE 110 HZ PHE 110 4.400 1.868 3.642 816 H PHE 111 H PHE 111 -2.042 4.634 4.444 817 HA PHE 111 HA PHE 111 -1.033 2.830 6.432 818 HB2 PHE 111 HB2 PHE 111 -2.265 5.540 6.532 819 HB3 PHE 111 HB3 PHE 111 -2.093 4.609 8.014 820 HD1 PHE 111 HD1 PHE 111 0.129 4.055 8.881 821 HD2 PHE 111 HD2 PHE 111 -0.346 6.408 5.368 822 HE1 PHE 111 HE1 PHE 111 2.476 4.762 9.044 823 HE2 PHE 111 HE2 PHE 111 2.010 7.110 5.519 824 HZ PHE 111 HZ PHE 111 3.422 6.291 7.363 825 H ASP 112 H ASP 112 -4.168 3.460 5.099 826 HA ASP 112 HA ASP 112 -5.878 2.269 6.986 827 HB2 ASP 112 HB2 ASP 112 -6.359 3.445 4.674 828 HB3 ASP 112 HB3 ASP 112 -6.202 1.827 4.033 829 H LEU 113 H LEU 113 -4.246 0.912 4.181 830 HA LEU 113 HA LEU 113 -5.172 -1.745 4.681 831 HB2 LEU 113 HB2 LEU 113 -3.641 -0.358 2.553 832 HB3 LEU 113 HB3 LEU 113 -3.452 -2.081 2.688 833 HG LEU 113 HG LEU 113 -5.110 -1.753 1.046 834 HD11 LEU 113 HD11 LEU 113 -6.493 -2.363 3.649 835 HD12 LEU 113 HD12 LEU 113 -5.638 -3.513 2.620 836 HD13 LEU 113 HD13 LEU 113 -7.110 -2.734 2.039 837 HD21 LEU 113 HD21 LEU 113 -6.509 0.109 2.958 838 HD22 LEU 113 HD22 LEU 113 -7.127 -0.417 1.392 839 HD23 LEU 113 HD23 LEU 113 -5.665 0.567 1.478 840 H ALA 114 H ALA 114 -2.232 0.021 5.345 841 HA ALA 114 HA ALA 114 -0.578 -2.152 5.992 842 HB1 ALA 114 HB1 ALA 114 0.736 -0.569 7.267 843 HB2 ALA 114 HB2 ALA 114 -0.598 0.585 7.248 844 HB3 ALA 114 HB3 ALA 114 0.217 0.150 5.744 845 H GLN 115 H GLN 115 -3.109 -0.565 7.863 846 HA GLN 115 HA GLN 115 -2.508 -1.863 10.361 847 HB2 GLN 115 HB2 GLN 115 -5.016 -0.518 9.348 848 HB3 GLN 115 HB3 GLN 115 -4.845 -1.153 10.978 849 HG2 GLN 115 HG2 GLN 115 -3.117 0.397 11.481 850 HG3 GLN 115 HG3 GLN 115 -3.034 0.927 9.801 851 HE21 GLN 115 HE21 GLN 115 -4.563 2.301 8.997 852 HE22 GLN 115 HE22 GLN 115 -5.703 3.136 10.000 853 H LYS 116 H LYS 116 -4.518 -2.549 7.594 854 HA LYS 116 HA LYS 116 -5.855 -4.820 8.710 855 HB2 LYS 116 HB2 LYS 116 -5.631 -3.734 5.903 856 HB3 LYS 116 HB3 LYS 116 -6.590 -5.147 6.323 857 HG2 LYS 116 HG2 LYS 116 -8.042 -3.860 7.694 858 HG3 LYS 116 HG3 LYS 116 -6.994 -2.448 7.589 859 HD2 LYS 116 HD2 LYS 116 -8.940 -2.173 6.161 860 HD3 LYS 116 HD3 LYS 116 -7.477 -2.280 5.185 861 HE2 LYS 116 HE2 LYS 116 -7.973 -4.607 4.673 862 HE3 LYS 116 HE3 LYS 116 -9.407 -4.541 5.698 863 HZ1 LYS 116 HZ1 LYS 116 -10.433 -3.014 4.227 864 HZ2 LYS 116 HZ2 LYS 116 -9.832 -4.275 3.271 865 HZ3 LYS 116 HZ3 LYS 116 -9.013 -2.795 3.335 866 H ALA 117 H ALA 117 -2.870 -4.248 7.024 867 HA ALA 117 HA ALA 117 -2.367 -6.898 6.151 868 HB1 ALA 117 HB1 ALA 117 -0.385 -4.727 6.828 869 HB2 ALA 117 HB2 ALA 117 -1.185 -4.935 5.269 870 HB3 ALA 117 HB3 ALA 117 -0.072 -6.170 5.858 871 H LEU 118 H LEU 118 -1.376 -5.111 9.081 872 HA LEU 118 HA LEU 118 -0.195 -7.559 10.147 873 HB2 LEU 118 HB2 LEU 118 -0.112 -4.704 11.113 874 HB3 LEU 118 HB3 LEU 118 0.601 -6.041 11.992 875 HG LEU 118 HG LEU 118 1.702 -6.303 9.485 876 HD11 LEU 118 HD11 LEU 118 2.575 -4.108 8.912 877 HD12 LEU 118 HD12 LEU 118 1.579 -3.380 10.174 878 HD13 LEU 118 HD13 LEU 118 0.816 -4.160 8.787 879 HD21 LEU 118 HD21 LEU 118 3.737 -5.481 10.549 880 HD22 LEU 118 HD22 LEU 118 2.846 -6.592 11.589 881 HD23 LEU 118 HD23 LEU 118 2.777 -4.854 11.889 882 H LYS 119 H LYS 119 -3.177 -7.213 9.986 883 HA LYS 119 HA LYS 119 -4.142 -6.665 12.608 884 HB2 LYS 119 HB2 LYS 119 -6.305 -7.420 11.816 885 HB3 LYS 119 HB3 LYS 119 -5.551 -6.367 10.634 886 HG2 LYS 119 HG2 LYS 119 -4.880 -8.392 9.356 887 HG3 LYS 119 HG3 LYS 119 -5.820 -9.360 10.496 888 HD2 LYS 119 HD2 LYS 119 -7.822 -8.080 9.907 889 HD3 LYS 119 HD3 LYS 119 -6.871 -7.136 8.763 890 HE2 LYS 119 HE2 LYS 119 -8.056 -8.806 7.539 891 HE3 LYS 119 HE3 LYS 119 -6.348 -9.245 7.558 892 HZ1 LYS 119 HZ1 LYS 119 -8.392 -10.357 9.396 893 HZ2 LYS 119 HZ2 LYS 119 -6.771 -10.847 9.269 894 HZ3 LYS 119 HZ3 LYS 119 -7.849 -11.126 7.987 895 H ASP 120 H ASP 120 -3.213 -9.642 10.982 896 HA ASP 120 HA ASP 120 -3.973 -11.200 13.337 897 HB2 ASP 120 HB2 ASP 120 -2.934 -12.073 10.631 898 HB3 ASP 120 HB3 ASP 120 -3.284 -13.175 11.956 899 H ALA 121 H ALA 121 -1.248 -9.886 11.701 900 HA ALA 121 HA ALA 121 0.996 -10.031 11.796 901 HB1 ALA 121 HB1 ALA 121 0.562 -9.085 14.014 902 HB2 ALA 121 HB2 ALA 121 2.036 -10.054 13.968 903 HB3 ALA 121 HB3 ALA 121 0.569 -10.711 14.698 904 H GLU 122 H GLU 122 -0.590 -12.638 11.406 905 HA GLU 122 HA GLU 122 1.767 -14.395 11.542 906 HB2 GLU 122 HB2 GLU 122 -1.113 -15.170 12.056 907 HB3 GLU 122 HB3 GLU 122 0.192 -16.321 11.823 908 HG2 GLU 122 HG2 GLU 122 1.328 -15.289 13.804 909 HG3 GLU 122 HG3 GLU 122 -0.157 -14.375 14.080 910 H LYS 123 H LYS 123 0.270 -12.628 9.520 911 HA LYS 123 HA LYS 123 -0.751 -14.458 7.549 912 HB2 LYS 123 HB2 LYS 123 -0.188 -11.487 7.351 913 HB3 LYS 123 HB3 LYS 123 -1.126 -12.438 6.208 914 HG2 LYS 123 HG2 LYS 123 -2.747 -12.936 8.009 915 HG3 LYS 123 HG3 LYS 123 -1.834 -11.886 9.086 916 HD2 LYS 123 HD2 LYS 123 -3.580 -10.508 8.358 917 HD3 LYS 123 HD3 LYS 123 -2.246 -10.061 7.294 918 HE2 LYS 123 HE2 LYS 123 -4.236 -12.153 6.486 919 HE3 LYS 123 HE3 LYS 123 -4.592 -10.442 6.287 920 HZ1 LYS 123 HZ1 LYS 123 -2.221 -11.803 5.122 921 HZ2 LYS 123 HZ2 LYS 123 -2.726 -10.213 4.834 922 HZ3 LYS 123 HZ3 LYS 123 -3.665 -11.507 4.289 923 H LEU 124 H LEU 124 0.190 -14.950 5.543 924 HA LEU 124 HA LEU 124 2.979 -14.167 5.139 925 HB2 LEU 124 HB2 LEU 124 2.598 -16.423 6.469 926 HB3 LEU 124 HB3 LEU 124 2.274 -17.069 4.879 927 HG LEU 124 HG LEU 124 4.607 -17.422 5.767 928 HD11 LEU 124 HD11 LEU 124 5.742 -16.943 3.658 929 HD12 LEU 124 HD12 LEU 124 4.370 -15.957 3.148 930 HD13 LEU 124 HD13 LEU 124 4.165 -17.690 3.411 931 HD21 LEU 124 HD21 LEU 124 6.197 -15.579 5.612 932 HD22 LEU 124 HD22 LEU 124 4.942 -15.254 6.806 933 HD23 LEU 124 HD23 LEU 124 4.880 -14.470 5.228 934 H GLU 125 H GLU 125 2.876 -13.252 3.228 935 HA GLU 125 HA GLU 125 1.162 -14.399 1.123 936 HB2 GLU 125 HB2 GLU 125 2.439 -11.741 0.727 937 HB3 GLU 125 HB3 GLU 125 0.828 -12.276 0.298 938 HG2 GLU 125 HG2 GLU 125 1.753 -11.462 3.033 939 HG3 GLU 125 HG3 GLU 125 0.807 -10.480 1.923 940 H HIS 126 H HIS 126 2.543 -12.996 -1.024 941 HA HIS 126 HA HIS 126 4.854 -14.634 -1.437 942 HB2 HIS 126 HB2 HIS 126 3.480 -13.783 -3.347 943 HB3 HIS 126 HB3 HIS 126 3.999 -12.146 -2.962 944 HD1 HIS 126 HD1 HIS 126 5.414 -11.582 -4.972 945 HD2 HIS 126 HD2 HIS 126 6.395 -15.269 -3.322 946 HE1 HIS 126 HE1 HIS 126 7.500 -12.321 -6.157 947 HE2 HIS 126 HE2 HIS 126 7.950 -14.640 -5.292 948 H HIS 127 H HIS 127 6.604 -14.383 -0.325 949 HA HIS 127 HA HIS 127 7.347 -12.016 1.061 950 HB2 HIS 127 HB2 HIS 127 7.942 -14.506 1.578 951 HB3 HIS 127 HB3 HIS 127 9.247 -14.268 0.428 952 HD1 HIS 127 HD1 HIS 127 10.760 -11.955 1.118 953 HD2 HIS 127 HD2 HIS 127 8.682 -13.989 4.090 954 HE1 HIS 127 HE1 HIS 127 11.824 -11.255 3.281 955 HE2 HIS 127 HE2 HIS 127 10.619 -12.569 5.054 956 H HIS 128 H HIS 128 8.540 -10.364 0.382 957 HA HIS 128 HA HIS 128 9.513 -10.464 -2.374 958 HB2 HIS 128 HB2 HIS 128 8.828 -8.150 -0.556 959 HB3 HIS 128 HB3 HIS 128 9.618 -7.941 -2.116 960 HD1 HIS 128 HD1 HIS 128 6.557 -7.250 -0.979 961 HD2 HIS 128 HD2 HIS 128 7.767 -9.869 -3.958 962 HE1 HIS 128 HE1 HIS 128 4.538 -7.580 -2.444 963 HE2 HIS 128 HE2 HIS 128 5.386 -8.963 -4.378 964 H HIS 129 H HIS 129 11.417 -8.739 -2.616 965 HA HIS 129 HA HIS 129 13.307 -9.008 -0.403 966 HB2 HIS 129 HB2 HIS 129 13.915 -9.646 -3.297 967 HB3 HIS 129 HB3 HIS 129 15.176 -9.264 -2.130 968 HD1 HIS 129 HD1 HIS 129 13.273 -12.044 -3.462 969 HD2 HIS 129 HD2 HIS 129 15.179 -11.176 0.129 970 HE1 HIS 129 HE1 HIS 129 13.544 -14.249 -2.288 971 HE2 HIS 129 HE2 HIS 129 14.619 -13.694 -0.085 972 H HIS 130 H HIS 130 12.165 -6.946 -0.186 973 HA HIS 130 HA HIS 130 12.950 -4.819 -1.994 974 HB2 HIS 130 HB2 HIS 130 10.651 -4.954 -1.013 975 HB3 HIS 130 HB3 HIS 130 11.347 -4.722 0.582 976 HD1 HIS 130 HD1 HIS 130 12.242 -2.333 1.148 977 HD2 HIS 130 HD2 HIS 130 10.332 -2.642 -2.531 978 HE1 HIS 130 HE1 HIS 130 11.780 0.022 0.430 979 HE2 HIS 130 HE2 HIS 130 10.423 -0.194 -1.672 980 H HIS 131 H HIS 131 14.519 -3.337 -1.582 981 HA HIS 131 HA HIS 131 15.565 -3.060 1.127 982 HB2 HIS 131 HB2 HIS 131 16.917 -4.778 -0.349 983 HB3 HIS 131 HB3 HIS 131 17.563 -3.326 -1.106 984 HD1 HIS 131 HD1 HIS 131 17.885 -5.469 1.857 985 HD2 HIS 131 HD2 HIS 131 19.087 -1.659 0.711 986 HE1 HIS 131 HE1 HIS 131 19.647 -4.790 3.512 987 HE2 HIS 131 HE2 HIS 131 20.480 -2.562 2.698 Start of MODEL 2 1 H1 MET 1 H1 MET 1 2.064 -8.472 16.654 2 H2 MET 1 H2 MET 1 3.420 -8.809 17.611 3 H3 MET 1 H3 MET 1 2.509 -10.078 16.954 4 HA MET 1 HA MET 1 3.140 -9.475 14.735 5 HB2 MET 1 HB2 MET 1 4.552 -7.231 16.172 6 HB3 MET 1 HB3 MET 1 5.062 -7.763 14.577 7 HG2 MET 1 HG2 MET 1 2.958 -7.176 13.627 8 HG3 MET 1 HG3 MET 1 2.271 -6.857 15.214 9 HE1 MET 1 HE1 MET 1 5.480 -4.186 13.214 10 HE2 MET 1 HE2 MET 1 4.805 -5.634 12.464 11 HE3 MET 1 HE3 MET 1 5.860 -5.778 13.871 12 H LYS 2 H LYS 2 4.599 -10.824 13.950 13 HA LYS 2 HA LYS 2 6.988 -11.448 15.558 14 HB2 LYS 2 HB2 LYS 2 6.744 -13.768 15.342 15 HB3 LYS 2 HB3 LYS 2 5.108 -13.233 15.676 16 HG2 LYS 2 HG2 LYS 2 6.063 -13.710 12.867 17 HG3 LYS 2 HG3 LYS 2 5.468 -15.022 13.877 18 HD2 LYS 2 HD2 LYS 2 3.865 -12.536 13.327 19 HD3 LYS 2 HD3 LYS 2 3.811 -13.960 12.286 20 HE2 LYS 2 HE2 LYS 2 3.250 -14.033 15.245 21 HE3 LYS 2 HE3 LYS 2 1.998 -13.834 14.022 22 HZ1 LYS 2 HZ1 LYS 2 3.854 -16.147 14.163 23 HZ2 LYS 2 HZ2 LYS 2 2.538 -15.968 13.111 24 HZ3 LYS 2 HZ3 LYS 2 2.276 -16.145 14.773 25 H ASP 3 H ASP 3 8.674 -12.607 14.159 26 HA ASP 3 HA ASP 3 9.256 -11.315 11.732 27 HB2 ASP 3 HB2 ASP 3 10.960 -12.485 13.066 28 HB3 ASP 3 HB3 ASP 3 10.167 -14.018 12.765 29 H GLY 4 H GLY 4 8.119 -11.405 9.966 30 HA2 GLY 4 HA2 GLY 4 7.389 -13.598 8.471 31 HA3 GLY 4 HA3 GLY 4 6.042 -13.304 9.568 32 H THR 5 H THR 5 5.711 -13.074 6.857 33 HA THR 5 HA THR 5 5.801 -10.196 6.321 34 HB THR 5 HB THR 5 5.081 -12.375 4.351 35 HG1 THR 5 HG1 THR 5 7.542 -11.623 5.378 36 HG21 THR 5 HG21 THR 5 6.100 -9.555 3.996 37 HG22 THR 5 HG22 THR 5 4.445 -10.100 3.717 38 HG23 THR 5 HG23 THR 5 5.757 -10.700 2.700 39 H TYR 6 H TYR 6 3.985 -9.067 5.970 40 HA TYR 6 HA TYR 6 1.407 -10.406 6.487 41 HB2 TYR 6 HB2 TYR 6 2.340 -7.624 7.274 42 HB3 TYR 6 HB3 TYR 6 0.710 -8.244 7.508 43 HD1 TYR 6 HD2 TYR 6 4.233 -8.609 8.599 44 HD2 TYR 6 HD1 TYR 6 0.175 -9.626 9.323 45 HE1 TYR 6 HE2 TYR 6 4.857 -9.494 10.805 46 HE2 TYR 6 HE1 TYR 6 0.784 -10.498 11.518 47 HH TYR 6 HH TYR 6 2.680 -11.337 12.706 48 H TYR 7 H TYR 7 -0.231 -9.882 5.029 49 HA TYR 7 HA TYR 7 0.182 -7.501 3.414 50 HB2 TYR 7 HB2 TYR 7 0.442 -8.520 1.422 51 HB3 TYR 7 HB3 TYR 7 0.753 -9.990 2.324 52 HD1 TYR 7 HD2 TYR 7 -1.019 -11.700 2.541 53 HD2 TYR 7 HD1 TYR 7 -1.560 -8.217 0.165 54 HE1 TYR 7 HE2 TYR 7 -2.945 -12.759 1.447 55 HE2 TYR 7 HE1 TYR 7 -3.490 -9.260 -0.943 56 HH TYR 7 HH TYR 7 -4.538 -11.304 -1.300 57 H ALA 8 H ALA 8 -1.727 -6.536 2.694 58 HA ALA 8 HA ALA 8 -4.237 -7.941 3.203 59 HB1 ALA 8 HB1 ALA 8 -3.909 -6.518 5.164 60 HB2 ALA 8 HB2 ALA 8 -5.255 -5.946 4.176 61 HB3 ALA 8 HB3 ALA 8 -3.700 -5.118 4.112 62 H GLU 9 H GLU 9 -5.822 -7.430 1.714 63 HA GLU 9 HA GLU 9 -4.945 -5.613 -0.435 64 HB2 GLU 9 HB2 GLU 9 -6.211 -6.945 -2.009 65 HB3 GLU 9 HB3 GLU 9 -5.137 -8.006 -1.114 66 HG2 GLU 9 HG2 GLU 9 -7.040 -8.680 0.302 67 HG3 GLU 9 HG3 GLU 9 -8.090 -7.659 -0.681 68 H ALA 10 H ALA 10 -6.518 -4.268 -1.376 69 HA ALA 10 HA ALA 10 -8.334 -3.102 0.424 70 HB1 ALA 10 HB1 ALA 10 -8.148 -2.808 -2.572 71 HB2 ALA 10 HB2 ALA 10 -7.296 -1.839 -1.370 72 HB3 ALA 10 HB3 ALA 10 -9.053 -1.746 -1.495 73 H ASP 11 H ASP 11 -10.616 -3.049 0.403 74 HA ASP 11 HA ASP 11 -11.849 -5.568 0.220 75 HB2 ASP 11 HB2 ASP 11 -13.223 -2.866 0.275 76 HB3 ASP 11 HB3 ASP 11 -13.945 -4.409 0.728 77 H ASP 12 H ASP 12 -12.359 -2.701 -1.779 78 HA ASP 12 HA ASP 12 -13.176 -4.464 -3.986 79 HB2 ASP 12 HB2 ASP 12 -13.965 -1.611 -3.364 80 HB3 ASP 12 HB3 ASP 12 -14.308 -2.393 -4.904 81 H PHE 13 H PHE 13 -12.853 -2.868 -6.119 82 HA PHE 13 HA PHE 13 -9.976 -2.418 -6.215 83 HB2 PHE 13 HB2 PHE 13 -12.072 -2.291 -8.396 84 HB3 PHE 13 HB3 PHE 13 -10.347 -2.058 -8.654 85 HD1 PHE 13 HD1 PHE 13 -8.794 -3.962 -8.209 86 HD2 PHE 13 HD2 PHE 13 -13.013 -4.453 -8.304 87 HE1 PHE 13 HE1 PHE 13 -8.501 -6.381 -8.523 88 HE2 PHE 13 HE2 PHE 13 -12.728 -6.876 -8.613 89 HZ PHE 13 HZ PHE 13 -10.465 -7.844 -8.719 90 H ASP 14 H ASP 14 -9.052 -0.433 -6.833 91 HA ASP 14 HA ASP 14 -10.367 1.865 -5.733 92 HB2 ASP 14 HB2 ASP 14 -7.763 1.135 -5.972 93 HB3 ASP 14 HB3 ASP 14 -7.895 2.264 -7.323 94 H GLU 15 H GLU 15 -9.669 3.993 -7.271 95 HA GLU 15 HA GLU 15 -11.837 4.080 -9.089 96 HB2 GLU 15 HB2 GLU 15 -9.541 6.038 -8.845 97 HB3 GLU 15 HB3 GLU 15 -11.137 6.361 -9.506 98 HG2 GLU 15 HG2 GLU 15 -10.489 5.713 -6.639 99 HG3 GLU 15 HG3 GLU 15 -10.918 7.297 -7.282 100 H SER 16 H SER 16 -8.324 3.887 -9.564 101 HA SER 16 HA SER 16 -8.646 3.774 -12.444 102 HB2 SER 16 HB2 SER 16 -6.165 3.646 -10.714 103 HB3 SER 16 HB3 SER 16 -6.154 3.622 -12.481 104 HG SER 16 HG SER 16 -7.671 5.666 -11.521 105 H GLY 17 H GLY 17 -9.301 1.577 -10.224 106 HA2 GLY 17 HA2 GLY 17 -10.009 -0.576 -10.694 107 HA3 GLY 17 HA3 GLY 17 -9.128 -0.509 -12.213 108 H TRP 18 H TRP 18 -7.992 -0.108 -8.864 109 HA TRP 18 HA TRP 18 -6.373 -2.533 -9.211 110 HB2 TRP 18 HB2 TRP 18 -5.375 0.168 -8.300 111 HB3 TRP 18 HB3 TRP 18 -4.480 -1.325 -8.048 112 HD1 TRP 18 HD1 TRP 18 -5.270 1.278 -10.664 113 HE1 TRP 18 HE1 TRP 18 -3.932 0.771 -12.797 114 HE3 TRP 18 HE3 TRP 18 -3.532 -3.374 -9.460 115 HZ2 TRP 18 HZ2 TRP 18 -2.342 -1.308 -13.827 116 HZ3 TRP 18 HZ3 TRP 18 -2.103 -4.551 -11.075 117 HH2 TRP 18 HH2 TRP 18 -1.523 -3.540 -13.215 118 H LYS 19 H LYS 19 -6.602 -3.891 -7.575 119 HA LYS 19 HA LYS 19 -7.708 -2.996 -5.029 120 HB2 LYS 19 HB2 LYS 19 -8.470 -5.105 -6.098 121 HB3 LYS 19 HB3 LYS 19 -6.835 -5.727 -6.009 122 HG2 LYS 19 HG2 LYS 19 -6.962 -5.630 -3.556 123 HG3 LYS 19 HG3 LYS 19 -8.661 -5.149 -3.704 124 HD2 LYS 19 HD2 LYS 19 -7.671 -7.570 -5.146 125 HD3 LYS 19 HD3 LYS 19 -8.022 -7.669 -3.422 126 HE2 LYS 19 HE2 LYS 19 -10.058 -6.480 -5.246 127 HE3 LYS 19 HE3 LYS 19 -9.861 -8.233 -5.208 128 HZ1 LYS 19 HZ1 LYS 19 -10.243 -8.206 -2.839 129 HZ2 LYS 19 HZ2 LYS 19 -11.543 -7.471 -3.634 130 HZ3 LYS 19 HZ3 LYS 19 -10.389 -6.519 -2.840 131 H ASP 20 H ASP 20 -6.130 -1.807 -4.052 132 HA ASP 20 HA ASP 20 -3.393 -2.527 -4.443 133 HB2 ASP 20 HB2 ASP 20 -4.750 -0.217 -3.111 134 HB3 ASP 20 HB3 ASP 20 -3.019 -0.481 -2.918 135 H THR 21 H THR 21 -2.062 -3.463 -3.204 136 HA THR 21 HA THR 21 -3.010 -4.424 -0.598 137 HB THR 21 HB THR 21 -1.811 -6.470 -0.906 138 HG1 THR 21 HG1 THR 21 -0.492 -5.066 -2.956 139 HG21 THR 21 HG21 THR 21 -2.693 -7.421 -2.993 140 HG22 THR 21 HG22 THR 21 -3.079 -5.797 -3.567 141 HG23 THR 21 HG23 THR 21 -3.907 -6.453 -2.155 142 H VAL 22 H VAL 22 -1.680 -4.202 1.114 143 HA VAL 22 HA VAL 22 0.892 -2.867 0.615 144 HB VAL 22 HB VAL 22 -0.931 -2.414 3.001 145 HG11 VAL 22 HG11 VAL 22 1.741 -1.166 2.340 146 HG12 VAL 22 HG12 VAL 22 1.434 -2.321 3.638 147 HG13 VAL 22 HG13 VAL 22 0.696 -0.719 3.690 148 HG21 VAL 22 HG21 VAL 22 -1.115 -0.118 2.158 149 HG22 VAL 22 HG22 VAL 22 -1.722 -1.281 0.979 150 HG23 VAL 22 HG23 VAL 22 -0.132 -0.552 0.759 151 H THR 23 H THR 23 2.409 -4.234 0.880 152 HA THR 23 HA THR 23 2.052 -6.516 2.659 153 HB THR 23 HB THR 23 4.272 -6.114 0.653 154 HG1 THR 23 HG1 THR 23 2.909 -6.540 -0.915 155 HG21 THR 23 HG21 THR 23 4.543 -7.915 2.291 156 HG22 THR 23 HG22 THR 23 4.316 -8.556 0.659 157 HG23 THR 23 HG23 THR 23 2.980 -8.578 1.812 158 H ILE 24 H ILE 24 2.863 -6.267 4.635 159 HA ILE 24 HA ILE 24 5.082 -4.431 5.133 160 HB ILE 24 HB ILE 24 3.310 -5.905 7.105 161 HG12 ILE 24 HG12 ILE 24 2.037 -4.330 5.698 162 HG13 ILE 24 HG13 ILE 24 2.072 -3.834 7.390 163 HG21 ILE 24 HG21 ILE 24 5.426 -5.281 8.102 164 HG22 ILE 24 HG22 ILE 24 4.127 -4.284 8.756 165 HG23 ILE 24 HG23 ILE 24 5.224 -3.618 7.548 166 HD11 ILE 24 HD11 ILE 24 3.735 -2.672 5.158 167 HD12 ILE 24 HD12 ILE 24 3.800 -2.174 6.849 168 HD13 ILE 24 HD13 ILE 24 2.326 -1.925 5.912 169 H GLU 25 H GLU 25 7.077 -5.326 5.094 170 HA GLU 25 HA GLU 25 7.336 -8.170 5.685 171 HB2 GLU 25 HB2 GLU 25 8.393 -7.429 3.612 172 HB3 GLU 25 HB3 GLU 25 9.342 -6.243 4.494 173 HG2 GLU 25 HG2 GLU 25 10.613 -7.921 5.564 174 HG3 GLU 25 HG3 GLU 25 9.544 -9.203 4.998 175 H VAL 26 H VAL 26 7.540 -8.623 7.688 176 HA VAL 26 HA VAL 26 9.100 -6.884 9.455 177 HB VAL 26 HB VAL 26 7.004 -8.977 10.130 178 HG11 VAL 26 HG11 VAL 26 7.156 -8.171 12.429 179 HG12 VAL 26 HG12 VAL 26 8.497 -7.118 11.973 180 HG13 VAL 26 HG13 VAL 26 8.682 -8.870 11.888 181 HG21 VAL 26 HG21 VAL 26 6.038 -6.968 9.174 182 HG22 VAL 26 HG22 VAL 26 6.930 -5.969 10.323 183 HG23 VAL 26 HG23 VAL 26 5.671 -7.067 10.897 184 H LYS 27 H LYS 27 10.999 -7.533 10.097 185 HA LYS 27 HA LYS 27 11.640 -10.382 10.235 186 HB2 LYS 27 HB2 LYS 27 12.451 -9.469 8.069 187 HB3 LYS 27 HB3 LYS 27 13.396 -8.281 8.951 188 HG2 LYS 27 HG2 LYS 27 14.830 -9.957 9.836 189 HG3 LYS 27 HG3 LYS 27 13.775 -11.248 9.252 190 HD2 LYS 27 HD2 LYS 27 15.263 -9.289 7.497 191 HD3 LYS 27 HD3 LYS 27 15.767 -10.951 7.822 192 HE2 LYS 27 HE2 LYS 27 13.682 -11.768 6.824 193 HE3 LYS 27 HE3 LYS 27 13.188 -10.108 6.502 194 HZ1 LYS 27 HZ1 LYS 27 15.582 -11.432 5.366 195 HZ2 LYS 27 HZ2 LYS 27 15.063 -9.853 5.030 196 HZ3 LYS 27 HZ3 LYS 27 14.122 -11.175 4.550 197 H ASN 28 H ASN 28 12.659 -10.888 12.043 198 HA ASN 28 HA ASN 28 13.550 -10.783 14.119 199 HB2 ASN 28 HB2 ASN 28 14.675 -8.164 13.128 200 HB3 ASN 28 HB3 ASN 28 14.965 -8.753 14.764 201 HD21 ASN 28 HD21 ASN 28 15.756 -9.027 11.444 202 HD22 ASN 28 HD22 ASN 28 17.009 -10.202 11.605 203 H GLY 29 H GLY 29 10.868 -9.847 13.557 204 HA2 GLY 29 HA2 GLY 29 9.102 -9.153 14.858 205 HA3 GLY 29 HA3 GLY 29 10.245 -8.698 16.104 206 H LYS 30 H LYS 30 11.243 -7.144 13.361 207 HA LYS 30 HA LYS 30 9.574 -4.784 13.917 208 HB2 LYS 30 HB2 LYS 30 11.544 -3.362 13.605 209 HB3 LYS 30 HB3 LYS 30 11.790 -4.486 14.933 210 HG2 LYS 30 HG2 LYS 30 13.229 -5.855 13.610 211 HG3 LYS 30 HG3 LYS 30 12.843 -4.946 12.150 212 HD2 LYS 30 HD2 LYS 30 14.254 -3.826 14.569 213 HD3 LYS 30 HD3 LYS 30 15.053 -4.370 13.094 214 HE2 LYS 30 HE2 LYS 30 13.861 -2.674 11.809 215 HE3 LYS 30 HE3 LYS 30 13.015 -2.149 13.264 216 HZ1 LYS 30 HZ1 LYS 30 14.807 -0.670 12.896 217 HZ2 LYS 30 HZ2 LYS 30 15.913 -1.934 12.686 218 HZ3 LYS 30 HZ3 LYS 30 15.245 -1.639 14.214 219 H ILE 31 H ILE 31 9.469 -3.243 12.087 220 HA ILE 31 HA ILE 31 9.196 -4.646 9.589 221 HB ILE 31 HB ILE 31 8.962 -1.665 10.052 222 HG12 ILE 31 HG12 ILE 31 6.773 -3.759 10.085 223 HG13 ILE 31 HG13 ILE 31 7.417 -2.956 11.511 224 HG21 ILE 31 HG21 ILE 31 9.234 -2.269 7.712 225 HG22 ILE 31 HG22 ILE 31 7.593 -1.700 8.016 226 HG23 ILE 31 HG23 ILE 31 7.907 -3.426 7.839 227 HD11 ILE 31 HD11 ILE 31 6.582 -0.821 10.705 228 HD12 ILE 31 HD12 ILE 31 5.280 -2.006 10.809 229 HD13 ILE 31 HD13 ILE 31 5.978 -1.596 9.241 230 H VAL 32 H VAL 32 10.815 -4.976 8.202 231 HA VAL 32 HA VAL 32 13.103 -3.152 8.319 232 HB VAL 32 HB VAL 32 14.359 -4.859 7.022 233 HG11 VAL 32 HG11 VAL 32 14.657 -6.421 8.887 234 HG12 VAL 32 HG12 VAL 32 13.170 -5.822 9.621 235 HG13 VAL 32 HG13 VAL 32 14.558 -4.749 9.439 236 HG21 VAL 32 HG21 VAL 32 11.947 -6.614 7.500 237 HG22 VAL 32 HG22 VAL 32 13.499 -7.146 6.850 238 HG23 VAL 32 HG23 VAL 32 12.499 -6.014 5.936 239 H SER 33 H SER 33 10.491 -4.198 6.315 240 HA SER 33 HA SER 33 11.241 -2.386 4.203 241 HB2 SER 33 HB2 SER 33 11.188 -5.376 3.741 242 HB3 SER 33 HB3 SER 33 11.069 -4.196 2.438 243 HG SER 33 HG SER 33 13.241 -5.131 3.127 244 H VAL 34 H VAL 34 9.596 -2.411 2.474 245 HA VAL 34 HA VAL 34 7.040 -3.569 3.149 246 HB VAL 34 HB VAL 34 6.970 -1.481 4.408 247 HG11 VAL 34 HG11 VAL 34 7.477 -0.101 1.796 248 HG12 VAL 34 HG12 VAL 34 8.560 -0.169 3.188 249 HG13 VAL 34 HG13 VAL 34 7.027 0.696 3.304 250 HG21 VAL 34 HG21 VAL 34 4.866 -2.234 3.468 251 HG22 VAL 34 HG22 VAL 34 5.189 -1.345 1.979 252 HG23 VAL 34 HG23 VAL 34 4.937 -0.471 3.490 253 H ASP 35 H ASP 35 5.718 -3.800 1.432 254 HA ASP 35 HA ASP 35 6.883 -3.298 -1.228 255 HB2 ASP 35 HB2 ASP 35 7.265 -5.608 -0.626 256 HB3 ASP 35 HB3 ASP 35 5.613 -5.798 -0.073 257 H TRP 36 H TRP 36 5.462 -2.544 -2.742 258 HA TRP 36 HA TRP 36 2.627 -2.617 -2.029 259 HB2 TRP 36 HB2 TRP 36 2.465 -0.611 -3.700 260 HB3 TRP 36 HB3 TRP 36 2.942 -0.344 -2.034 261 HD1 TRP 36 HD1 TRP 36 5.330 0.634 -1.587 262 HE1 TRP 36 HE1 TRP 36 7.161 1.627 -3.104 263 HE3 TRP 36 HE3 TRP 36 3.534 -0.891 -6.138 264 HZ2 TRP 36 HZ2 TRP 36 7.765 1.734 -5.852 265 HZ3 TRP 36 HZ3 TRP 36 4.804 -0.297 -8.157 266 HH2 TRP 36 HH2 TRP 36 6.871 0.988 -8.015 267 H ASN 37 H ASN 37 1.231 -3.416 -3.368 268 HA ASN 37 HA ASN 37 1.891 -4.107 -6.114 269 HB2 ASN 37 HB2 ASN 37 2.686 -5.929 -4.351 270 HB3 ASN 37 HB3 ASN 37 0.976 -6.336 -4.299 271 HD21 ASN 37 HD21 ASN 37 1.682 -8.402 -5.080 272 HD22 ASN 37 HD22 ASN 37 1.946 -8.632 -6.768 273 H ALA 38 H ALA 38 -0.254 -5.142 -7.114 274 HA ALA 38 HA ALA 38 -2.678 -4.706 -5.631 275 HB1 ALA 38 HB1 ALA 38 -2.092 -2.818 -7.904 276 HB2 ALA 38 HB2 ALA 38 -2.133 -2.387 -6.194 277 HB3 ALA 38 HB3 ALA 38 -3.605 -2.930 -7.004 278 H ILE 39 H ILE 39 -4.504 -5.552 -6.640 279 HA ILE 39 HA ILE 39 -3.862 -7.289 -8.916 280 HB ILE 39 HB ILE 39 -6.385 -7.406 -7.248 281 HG12 ILE 39 HG12 ILE 39 -3.812 -8.927 -6.722 282 HG13 ILE 39 HG13 ILE 39 -4.368 -7.557 -5.773 283 HG21 ILE 39 HG21 ILE 39 -4.934 -9.475 -8.912 284 HG22 ILE 39 HG22 ILE 39 -6.412 -8.626 -9.366 285 HG23 ILE 39 HG23 ILE 39 -6.422 -9.747 -8.005 286 HD11 ILE 39 HD11 ILE 39 -6.324 -8.818 -5.070 287 HD12 ILE 39 HD12 ILE 39 -4.834 -9.676 -4.668 288 HD13 ILE 39 HD13 ILE 39 -5.803 -10.187 -6.051 289 H ASN 40 H ASN 40 -4.818 -7.016 -10.877 290 HA ASN 40 HA ASN 40 -6.048 -4.471 -11.366 291 HB2 ASN 40 HB2 ASN 40 -4.389 -5.741 -12.870 292 HB3 ASN 40 HB3 ASN 40 -5.791 -6.672 -13.401 293 HD21 ASN 40 HD21 ASN 40 -4.267 -3.570 -13.372 294 HD22 ASN 40 HD22 ASN 40 -5.218 -2.858 -14.630 295 H LYS 41 H LYS 41 -8.079 -3.978 -12.023 296 HA LYS 41 HA LYS 41 -10.246 -5.526 -11.085 297 HB2 LYS 41 HB2 LYS 41 -10.161 -3.024 -11.277 298 HB3 LYS 41 HB3 LYS 41 -10.367 -3.202 -13.013 299 HG2 LYS 41 HG2 LYS 41 -12.540 -4.217 -12.684 300 HG3 LYS 41 HG3 LYS 41 -12.317 -4.168 -10.936 301 HD2 LYS 41 HD2 LYS 41 -12.241 -1.723 -11.018 302 HD3 LYS 41 HD3 LYS 41 -12.483 -1.778 -12.767 303 HE2 LYS 41 HE2 LYS 41 -14.630 -2.907 -12.423 304 HE3 LYS 41 HE3 LYS 41 -14.384 -2.829 -10.680 305 HZ1 LYS 41 HZ1 LYS 41 -14.415 -0.427 -10.804 306 HZ2 LYS 41 HZ2 LYS 41 -15.838 -1.063 -11.468 307 HZ3 LYS 41 HZ3 LYS 41 -14.613 -0.484 -12.486 308 H ASP 42 H ASP 42 -8.682 -5.412 -14.180 309 HA ASP 42 HA ASP 42 -10.574 -6.513 -15.902 310 HB2 ASP 42 HB2 ASP 42 -8.392 -5.677 -16.644 311 HB3 ASP 42 HB3 ASP 42 -7.584 -6.983 -15.794 312 H GLY 43 H GLY 43 -8.519 -8.095 -13.506 313 HA2 GLY 43 HA2 GLY 43 -9.044 -10.128 -12.440 314 HA3 GLY 43 HA3 GLY 43 -10.145 -10.506 -13.759 315 H GLY 44 H GLY 44 -6.973 -9.333 -14.443 316 HA2 GLY 44 HA2 GLY 44 -6.231 -11.915 -15.577 317 HA3 GLY 44 HA3 GLY 44 -5.403 -10.386 -15.837 318 H ASP 45 H ASP 45 -3.693 -9.872 -14.608 319 HA ASP 45 HA ASP 45 -3.002 -11.753 -12.458 320 HB2 ASP 45 HB2 ASP 45 -1.246 -10.424 -14.517 321 HB3 ASP 45 HB3 ASP 45 -0.580 -11.136 -13.049 322 H ASP 46 H ASP 46 -0.938 -10.624 -11.296 323 HA ASP 46 HA ASP 46 -2.086 -8.361 -9.877 324 HB2 ASP 46 HB2 ASP 46 -0.515 -10.558 -9.151 325 HB3 ASP 46 HB3 ASP 46 0.579 -9.181 -9.041 326 H LYS 47 H LYS 47 -0.419 -6.606 -9.208 327 HA LYS 47 HA LYS 47 0.327 -5.170 -11.512 328 HB2 LYS 47 HB2 LYS 47 -0.301 -4.095 -9.427 329 HB3 LYS 47 HB3 LYS 47 1.102 -4.767 -8.619 330 HG2 LYS 47 HG2 LYS 47 2.582 -3.367 -9.898 331 HG3 LYS 47 HG3 LYS 47 1.241 -2.793 -10.894 332 HD2 LYS 47 HD2 LYS 47 1.315 -2.412 -7.905 333 HD3 LYS 47 HD3 LYS 47 2.016 -1.242 -9.027 334 HE2 LYS 47 HE2 LYS 47 -0.114 -0.878 -10.066 335 HE3 LYS 47 HE3 LYS 47 -0.846 -2.182 -9.136 336 HZ1 LYS 47 HZ1 LYS 47 -1.363 0.068 -8.303 337 HZ2 LYS 47 HZ2 LYS 47 0.275 0.294 -7.937 338 HZ3 LYS 47 HZ3 LYS 47 -0.616 -0.911 -7.143 339 H ASP 48 H ASP 48 2.238 -7.046 -9.242 340 HA ASP 48 HA ASP 48 4.802 -6.651 -10.257 341 HB2 ASP 48 HB2 ASP 48 4.515 -7.774 -8.166 342 HB3 ASP 48 HB3 ASP 48 3.480 -8.998 -8.884 343 H THR 49 H THR 49 2.447 -9.196 -11.080 344 HA THR 49 HA THR 49 4.111 -10.473 -12.996 345 HB THR 49 HB THR 49 1.116 -10.764 -12.889 346 HG1 THR 49 HG1 THR 49 3.073 -11.730 -11.047 347 HG21 THR 49 HG21 THR 49 1.633 -13.108 -13.367 348 HG22 THR 49 HG22 THR 49 3.358 -12.744 -13.326 349 HG23 THR 49 HG23 THR 49 2.338 -12.049 -14.588 350 H LEU 50 H LEU 50 1.569 -8.023 -13.236 351 HA LEU 50 HA LEU 50 1.366 -8.046 -16.070 352 HB2 LEU 50 HB2 LEU 50 0.636 -5.950 -14.033 353 HB3 LEU 50 HB3 LEU 50 0.337 -5.762 -15.749 354 HG LEU 50 HG LEU 50 -0.859 -7.894 -13.971 355 HD11 LEU 50 HD11 LEU 50 -2.085 -5.474 -15.277 356 HD12 LEU 50 HD12 LEU 50 -1.764 -5.675 -13.554 357 HD13 LEU 50 HD13 LEU 50 -2.950 -6.705 -14.357 358 HD21 LEU 50 HD21 LEU 50 -0.511 -8.706 -16.257 359 HD22 LEU 50 HD22 LEU 50 -1.359 -7.293 -16.887 360 HD23 LEU 50 HD23 LEU 50 -2.225 -8.476 -15.908 361 H SER 51 H SER 51 3.426 -6.265 -13.811 362 HA SER 51 HA SER 51 4.549 -4.559 -15.805 363 HB2 SER 51 HB2 SER 51 4.536 -4.111 -13.313 364 HB3 SER 51 HB3 SER 51 5.806 -5.321 -13.159 365 HG SER 51 HG SER 51 6.045 -2.763 -13.812 366 H ARG 52 H ARG 52 5.249 -7.775 -14.619 367 HA ARG 52 HA ARG 52 7.823 -8.080 -15.803 368 HB2 ARG 52 HB2 ARG 52 5.770 -10.125 -14.946 369 HB3 ARG 52 HB3 ARG 52 7.389 -10.529 -15.491 370 HG2 ARG 52 HG2 ARG 52 6.777 -8.814 -13.095 371 HG3 ARG 52 HG3 ARG 52 7.101 -10.545 -13.028 372 HD2 ARG 52 HD2 ARG 52 8.992 -8.426 -14.040 373 HD3 ARG 52 HD3 ARG 52 9.076 -9.219 -12.468 374 HE ARG 52 HE ARG 52 9.450 -10.615 -15.044 375 HH11 ARG 52 HH11 ARG 52 10.176 -10.269 -11.619 376 HH12 ARG 52 HH12 ARG 52 11.394 -11.505 -11.630 377 HH21 ARG 52 HH21 ARG 52 11.067 -12.220 -15.042 378 HH22 ARG 52 HH22 ARG 52 11.889 -12.616 -13.566 379 H ASN 53 H ASN 53 4.529 -8.849 -16.890 380 HA ASN 53 HA ASN 53 5.534 -10.090 -19.318 381 HB2 ASN 53 HB2 ASN 53 2.810 -9.872 -18.079 382 HB3 ASN 53 HB3 ASN 53 2.992 -10.370 -19.759 383 HD21 ASN 53 HD21 ASN 53 3.460 -11.252 -16.442 384 HD22 ASN 53 HD22 ASN 53 3.885 -12.904 -16.732 385 H GLY 54 H GLY 54 4.482 -6.993 -18.397 386 HA2 GLY 54 HA2 GLY 54 4.565 -5.065 -19.725 387 HA3 GLY 54 HA3 GLY 54 4.644 -6.083 -21.156 388 H GLY 55 H GLY 55 2.324 -5.721 -18.490 389 HA2 GLY 55 HA2 GLY 55 0.248 -4.894 -20.361 390 HA3 GLY 55 HA3 GLY 55 -0.010 -6.412 -19.516 391 H TYR 56 H TYR 56 1.633 -3.691 -18.035 392 HA TYR 56 HA TYR 56 -0.322 -3.428 -15.968 393 HB2 TYR 56 HB2 TYR 56 1.796 -2.829 -15.215 394 HB3 TYR 56 HB3 TYR 56 2.219 -2.014 -16.711 395 HD1 TYR 56 HD2 TYR 56 -0.009 -1.636 -13.735 396 HD2 TYR 56 HD1 TYR 56 2.236 0.311 -16.772 397 HE1 TYR 56 HE2 TYR 56 -0.538 0.543 -12.732 398 HE2 TYR 56 HE1 TYR 56 1.709 2.493 -15.777 399 HH TYR 56 HH TYR 56 0.119 2.771 -12.683 400 H LYS 57 H LYS 57 -2.315 -2.854 -16.620 401 HA LYS 57 HA LYS 57 -2.582 -0.344 -18.150 402 HB2 LYS 57 HB2 LYS 57 -4.600 -2.589 -18.098 403 HB3 LYS 57 HB3 LYS 57 -4.574 -1.204 -19.170 404 HG2 LYS 57 HG2 LYS 57 -2.535 -3.419 -19.197 405 HG3 LYS 57 HG3 LYS 57 -3.952 -3.345 -20.243 406 HD2 LYS 57 HD2 LYS 57 -3.130 -1.286 -21.242 407 HD3 LYS 57 HD3 LYS 57 -1.733 -1.297 -20.158 408 HE2 LYS 57 HE2 LYS 57 -1.033 -3.448 -21.116 409 HE3 LYS 57 HE3 LYS 57 -2.409 -3.396 -22.217 410 HZ1 LYS 57 HZ1 LYS 57 -1.502 -1.365 -23.175 411 HZ2 LYS 57 HZ2 LYS 57 -0.407 -2.649 -23.307 412 HZ3 LYS 57 HZ3 LYS 57 -0.166 -1.449 -22.133 413 H MET 58 H MET 58 -3.375 1.254 -16.871 414 HA MET 58 HA MET 58 -5.167 0.690 -14.660 415 HB2 MET 58 HB2 MET 58 -4.384 3.314 -15.960 416 HB3 MET 58 HB3 MET 58 -5.401 3.172 -14.538 417 HG2 MET 58 HG2 MET 58 -3.533 2.206 -13.298 418 HG3 MET 58 HG3 MET 58 -2.518 2.334 -14.734 419 HE1 MET 58 HE1 MET 58 -2.220 6.191 -15.220 420 HE2 MET 58 HE2 MET 58 -3.397 5.110 -15.969 421 HE3 MET 58 HE3 MET 58 -1.718 4.599 -15.790 422 H VAL 59 H VAL 59 -7.417 1.364 -14.629 423 HA VAL 59 HA VAL 59 -8.655 1.266 -17.246 424 HB VAL 59 HB VAL 59 -10.746 0.974 -16.236 425 HG11 VAL 59 HG11 VAL 59 -9.340 -0.974 -15.977 426 HG12 VAL 59 HG12 VAL 59 -10.447 -0.830 -14.611 427 HG13 VAL 59 HG13 VAL 59 -8.754 -0.374 -14.423 428 HG21 VAL 59 HG21 VAL 59 -11.264 1.318 -13.863 429 HG22 VAL 59 HG22 VAL 59 -10.777 2.815 -14.657 430 HG23 VAL 59 HG23 VAL 59 -9.642 1.964 -13.607 431 H GLU 60 H GLU 60 -7.667 3.642 -14.993 432 HA GLU 60 HA GLU 60 -8.938 5.737 -16.623 433 HB2 GLU 60 HB2 GLU 60 -7.946 6.002 -13.786 434 HB3 GLU 60 HB3 GLU 60 -8.726 7.251 -14.738 435 HG2 GLU 60 HG2 GLU 60 -10.751 5.762 -14.806 436 HG3 GLU 60 HG3 GLU 60 -9.939 4.766 -13.594 437 H TYR 61 H TYR 61 -7.547 6.746 -17.893 438 HA TYR 61 HA TYR 61 -4.751 6.950 -17.011 439 HB2 TYR 61 HB2 TYR 61 -5.888 7.414 -19.778 440 HB3 TYR 61 HB3 TYR 61 -4.185 7.459 -19.342 441 HD1 TYR 61 HD1 TYR 61 -3.639 5.101 -17.869 442 HD2 TYR 61 HD2 TYR 61 -6.383 5.602 -21.077 443 HE1 TYR 61 HE1 TYR 61 -3.445 2.712 -18.397 444 HE2 TYR 61 HE2 TYR 61 -6.202 3.208 -21.609 445 HH TYR 61 HH TYR 61 -4.925 0.959 -19.544 446 H GLY 62 H GLY 62 -6.203 8.500 -15.562 447 HA2 GLY 62 HA2 GLY 62 -6.656 11.120 -16.698 448 HA3 GLY 62 HA3 GLY 62 -6.884 10.650 -15.021 449 H GLY 63 H GLY 63 -4.182 9.531 -14.798 450 HA2 GLY 63 HA2 GLY 63 -1.912 10.307 -15.033 451 HA3 GLY 63 HA3 GLY 63 -2.527 11.947 -15.129 452 H ALA 64 H ALA 64 -4.277 10.543 -12.741 453 HA ALA 64 HA ALA 64 -2.635 11.763 -10.676 454 HB1 ALA 64 HB1 ALA 64 -4.544 11.451 -9.214 455 HB2 ALA 64 HB2 ALA 64 -5.352 10.483 -10.450 456 HB3 ALA 64 HB3 ALA 64 -5.050 12.198 -10.731 457 H GLN 65 H GLN 65 -3.493 8.631 -11.822 458 HA GLN 65 HA GLN 65 -3.047 6.501 -11.259 459 HB2 GLN 65 HB2 GLN 65 -0.710 7.854 -9.951 460 HB3 GLN 65 HB3 GLN 65 -0.998 6.153 -9.637 461 HG2 GLN 65 HG2 GLN 65 0.599 6.292 -11.364 462 HG3 GLN 65 HG3 GLN 65 -0.911 5.779 -12.112 463 HE21 GLN 65 HE21 GLN 65 -2.000 7.185 -13.442 464 HE22 GLN 65 HE22 GLN 65 -1.231 8.559 -14.163 465 H ALA 66 H ALA 66 -5.011 6.189 -10.155 466 HA ALA 66 HA ALA 66 -4.957 6.419 -7.258 467 HB1 ALA 66 HB1 ALA 66 -7.118 5.319 -9.049 468 HB2 ALA 66 HB2 ALA 66 -7.027 6.969 -8.431 469 HB3 ALA 66 HB3 ALA 66 -7.259 5.620 -7.317 470 H GLU 67 H GLU 67 -3.023 5.094 -7.460 471 HA GLU 67 HA GLU 67 -3.409 2.430 -6.537 472 HB2 GLU 67 HB2 GLU 67 -1.973 1.391 -8.332 473 HB3 GLU 67 HB3 GLU 67 -3.585 1.839 -8.871 474 HG2 GLU 67 HG2 GLU 67 -2.808 3.322 -10.358 475 HG3 GLU 67 HG3 GLU 67 -1.564 3.922 -9.267 476 H TRP 68 H TRP 68 -1.122 1.431 -6.232 477 HA TRP 68 HA TRP 68 0.673 3.528 -5.345 478 HB2 TRP 68 HB2 TRP 68 0.888 0.527 -5.000 479 HB3 TRP 68 HB3 TRP 68 1.956 1.720 -4.262 480 HD1 TRP 68 HD1 TRP 68 -0.490 -0.414 -3.071 481 HE1 TRP 68 HE1 TRP 68 -2.014 0.583 -1.255 482 HE3 TRP 68 HE3 TRP 68 0.581 4.548 -3.723 483 HZ2 TRP 68 HZ2 TRP 68 -2.665 3.124 -0.240 484 HZ3 TRP 68 HZ3 TRP 68 -0.525 6.190 -2.270 485 HH2 TRP 68 HH2 TRP 68 -2.110 5.490 -0.565 486 H HIS 69 H HIS 69 1.928 4.408 -6.814 487 HA HIS 69 HA HIS 69 3.562 2.594 -8.452 488 HB2 HIS 69 HB2 HIS 69 1.722 4.131 -9.603 489 HB3 HIS 69 HB3 HIS 69 2.975 5.358 -9.451 490 HD1 HIS 69 HD1 HIS 69 1.926 2.486 -11.458 491 HD2 HIS 69 HD2 HIS 69 5.367 4.753 -10.958 492 HE1 HIS 69 HE1 HIS 69 3.415 1.894 -13.406 493 HE2 HIS 69 HE2 HIS 69 5.552 3.151 -12.985 494 H GLU 70 H GLU 70 4.416 5.821 -8.966 495 HA GLU 70 HA GLU 70 6.843 5.447 -7.408 496 HB2 GLU 70 HB2 GLU 70 6.006 7.441 -9.501 497 HB3 GLU 70 HB3 GLU 70 7.515 7.595 -8.607 498 HG2 GLU 70 HG2 GLU 70 8.381 5.606 -9.526 499 HG3 GLU 70 HG3 GLU 70 6.803 5.106 -10.127 500 H GLN 71 H GLN 71 3.880 7.063 -7.141 501 HA GLN 71 HA GLN 71 4.522 9.086 -5.261 502 HB2 GLN 71 HB2 GLN 71 1.963 7.475 -5.453 503 HB3 GLN 71 HB3 GLN 71 2.153 9.008 -4.627 504 HG2 GLN 71 HG2 GLN 71 1.069 9.568 -6.585 505 HG3 GLN 71 HG3 GLN 71 2.751 9.948 -6.938 506 HE21 GLN 71 HE21 GLN 71 2.585 9.756 -9.112 507 HE22 GLN 71 HE22 GLN 71 2.282 8.259 -9.930 508 H ALA 72 H ALA 72 3.855 5.677 -5.126 509 HA ALA 72 HA ALA 72 3.634 5.417 -2.311 510 HB1 ALA 72 HB1 ALA 72 2.568 3.862 -3.856 511 HB2 ALA 72 HB2 ALA 72 3.630 3.034 -2.714 512 HB3 ALA 72 HB3 ALA 72 4.155 3.297 -4.378 513 H GLU 73 H GLU 73 6.369 5.411 -4.497 514 HA GLU 73 HA GLU 73 8.298 4.196 -2.853 515 HB2 GLU 73 HB2 GLU 73 8.741 4.820 -5.199 516 HB3 GLU 73 HB3 GLU 73 8.683 6.524 -4.757 517 HG2 GLU 73 HG2 GLU 73 10.553 5.955 -3.100 518 HG3 GLU 73 HG3 GLU 73 10.733 4.467 -4.034 519 H LYS 74 H LYS 74 7.095 7.521 -2.946 520 HA LYS 74 HA LYS 74 8.826 8.581 -0.974 521 HB2 LYS 74 HB2 LYS 74 6.045 9.438 -1.804 522 HB3 LYS 74 HB3 LYS 74 7.105 10.380 -0.771 523 HG2 LYS 74 HG2 LYS 74 7.904 9.583 -3.552 524 HG3 LYS 74 HG3 LYS 74 6.942 11.026 -3.235 525 HD2 LYS 74 HD2 LYS 74 9.011 11.962 -3.179 526 HD3 LYS 74 HD3 LYS 74 8.908 11.468 -1.492 527 HE2 LYS 74 HE2 LYS 74 11.055 10.840 -2.316 528 HE3 LYS 74 HE3 LYS 74 10.103 9.371 -2.117 529 HZ1 LYS 74 HZ1 LYS 74 10.758 10.773 -4.641 530 HZ2 LYS 74 HZ2 LYS 74 9.601 9.544 -4.548 531 HZ3 LYS 74 HZ3 LYS 74 11.219 9.210 -4.176 532 H VAL 75 H VAL 75 5.695 6.997 -0.824 533 HA VAL 75 HA VAL 75 5.206 7.509 1.941 534 HB VAL 75 HB VAL 75 3.841 5.334 0.371 535 HG11 VAL 75 HG11 VAL 75 2.911 7.198 2.542 536 HG12 VAL 75 HG12 VAL 75 3.315 5.491 2.728 537 HG13 VAL 75 HG13 VAL 75 1.925 5.967 1.750 538 HG21 VAL 75 HG21 VAL 75 2.209 6.959 -0.422 539 HG22 VAL 75 HG22 VAL 75 3.813 7.318 -1.058 540 HG23 VAL 75 HG23 VAL 75 3.160 8.271 0.276 541 H GLU 76 H GLU 76 6.659 4.821 0.158 542 HA GLU 76 HA GLU 76 6.494 2.906 2.237 543 HB2 GLU 76 HB2 GLU 76 7.865 1.480 0.907 544 HB3 GLU 76 HB3 GLU 76 6.796 2.339 -0.188 545 HG2 GLU 76 HG2 GLU 76 8.594 3.802 -0.856 546 HG3 GLU 76 HG3 GLU 76 9.665 3.071 0.337 547 H ALA 77 H ALA 77 9.000 5.234 1.346 548 HA ALA 77 HA ALA 77 10.988 4.403 3.160 549 HB1 ALA 77 HB1 ALA 77 11.432 5.924 1.307 550 HB2 ALA 77 HB2 ALA 77 11.936 6.631 2.844 551 HB3 ALA 77 HB3 ALA 77 10.436 7.156 2.080 552 H TYR 78 H TYR 78 8.240 6.554 3.481 553 HA TYR 78 HA TYR 78 8.867 7.566 6.046 554 HB2 TYR 78 HB2 TYR 78 7.311 8.609 4.374 555 HB3 TYR 78 HB3 TYR 78 6.139 7.359 4.771 556 HD1 TYR 78 HD2 TYR 78 8.108 10.136 6.282 557 HD2 TYR 78 HD1 TYR 78 4.651 7.668 6.553 558 HE1 TYR 78 HE2 TYR 78 7.247 11.545 8.106 559 HE2 TYR 78 HE1 TYR 78 3.788 9.070 8.372 560 HH TYR 78 HH TYR 78 5.186 12.098 9.194 561 H LEU 79 H LEU 79 7.054 4.727 4.943 562 HA LEU 79 HA LEU 79 5.914 4.037 7.443 563 HB2 LEU 79 HB2 LEU 79 5.267 3.194 5.136 564 HB3 LEU 79 HB3 LEU 79 6.646 2.128 5.222 565 HG LEU 79 HG LEU 79 4.268 1.227 5.756 566 HD11 LEU 79 HD11 LEU 79 5.145 -0.412 7.334 567 HD12 LEU 79 HD12 LEU 79 6.582 0.586 7.568 568 HD13 LEU 79 HD13 LEU 79 6.250 -0.125 5.987 569 HD21 LEU 79 HD21 LEU 79 3.673 1.310 8.144 570 HD22 LEU 79 HD22 LEU 79 3.590 2.889 7.361 571 HD23 LEU 79 HD23 LEU 79 4.958 2.496 8.406 572 H VAL 80 H VAL 80 8.975 3.160 5.907 573 HA VAL 80 HA VAL 80 9.810 1.300 7.870 574 HB VAL 80 HB VAL 80 11.497 2.918 5.935 575 HG11 VAL 80 HG11 VAL 80 12.241 0.414 7.452 576 HG12 VAL 80 HG12 VAL 80 12.861 2.032 7.777 577 HG13 VAL 80 HG13 VAL 80 13.234 1.237 6.247 578 HG21 VAL 80 HG21 VAL 80 10.406 0.110 5.734 579 HG22 VAL 80 HG22 VAL 80 11.477 0.887 4.566 580 HG23 VAL 80 HG23 VAL 80 9.847 1.511 4.820 581 H GLU 81 H GLU 81 10.290 4.842 7.601 582 HA GLU 81 HA GLU 81 12.058 4.882 9.875 583 HB2 GLU 81 HB2 GLU 81 12.058 7.308 9.656 584 HB3 GLU 81 HB3 GLU 81 12.375 6.520 8.119 585 HG2 GLU 81 HG2 GLU 81 9.922 6.870 7.598 586 HG3 GLU 81 HG3 GLU 81 9.882 7.919 9.016 587 H LYS 82 H LYS 82 8.602 5.125 9.489 588 HA LYS 82 HA LYS 82 8.138 6.183 12.139 589 HB2 LYS 82 HB2 LYS 82 6.295 4.788 10.195 590 HB3 LYS 82 HB3 LYS 82 5.770 5.465 11.722 591 HG2 LYS 82 HG2 LYS 82 6.939 6.982 9.402 592 HG3 LYS 82 HG3 LYS 82 5.242 6.931 9.862 593 HD2 LYS 82 HD2 LYS 82 7.387 7.953 11.695 594 HD3 LYS 82 HD3 LYS 82 6.559 8.995 10.536 595 HE2 LYS 82 HE2 LYS 82 4.394 8.209 11.588 596 HE3 LYS 82 HE3 LYS 82 5.380 7.488 12.860 597 HZ1 LYS 82 HZ1 LYS 82 5.394 10.355 12.112 598 HZ2 LYS 82 HZ2 LYS 82 6.262 9.649 13.379 599 HZ3 LYS 82 HZ3 LYS 82 4.565 9.699 13.434 600 H GLN 83 H GLN 83 8.434 3.054 10.691 601 HA GLN 83 HA GLN 83 8.423 0.931 11.418 602 HB2 GLN 83 HB2 GLN 83 9.056 2.305 14.009 603 HB3 GLN 83 HB3 GLN 83 8.777 0.571 13.971 604 HG2 GLN 83 HG2 GLN 83 10.860 2.030 12.362 605 HG3 GLN 83 HG3 GLN 83 11.151 1.159 13.868 606 HE21 GLN 83 HE21 GLN 83 10.504 0.896 10.489 607 HE22 GLN 83 HE22 GLN 83 10.804 -0.808 10.357 608 H ASP 84 H ASP 84 5.893 2.811 11.734 609 HA ASP 84 HA ASP 84 4.216 0.688 12.695 610 HB2 ASP 84 HB2 ASP 84 3.372 1.748 14.566 611 HB3 ASP 84 HB3 ASP 84 5.033 2.315 14.596 612 HA PRO 85 HA PRO 85 1.927 2.370 9.295 613 HB2 PRO 85 HB2 PRO 85 0.044 0.522 9.190 614 HB3 PRO 85 HB3 PRO 85 1.741 0.093 8.959 615 HG2 PRO 85 HG2 PRO 85 0.026 -0.220 11.389 616 HG3 PRO 85 HG3 PRO 85 1.154 -1.381 10.662 617 HD2 PRO 85 HD2 PRO 85 1.763 0.262 12.791 618 HD3 PRO 85 HD3 PRO 85 2.950 -0.454 11.693 619 H THR 86 H THR 86 0.987 3.157 12.320 620 HA THR 86 HA THR 86 -1.711 3.897 11.434 621 HB THR 86 HB THR 86 -1.921 2.059 12.988 622 HG1 THR 86 HG1 THR 86 -3.639 3.244 13.390 623 HG21 THR 86 HG21 THR 86 0.133 2.281 14.261 624 HG22 THR 86 HG22 THR 86 -1.266 2.234 15.333 625 HG23 THR 86 HG23 THR 86 -0.466 3.769 14.999 626 H ASP 87 H ASP 87 1.252 5.009 12.816 627 HA ASP 87 HA ASP 87 0.046 7.467 13.830 628 HB2 ASP 87 HB2 ASP 87 1.994 6.339 14.956 629 HB3 ASP 87 HB3 ASP 87 3.000 6.794 13.585 630 H ILE 88 H ILE 88 -0.716 8.705 12.290 631 HA ILE 88 HA ILE 88 0.965 10.088 10.473 632 HB ILE 88 HB ILE 88 0.811 8.029 9.170 633 HG12 ILE 88 HG12 ILE 88 -0.316 8.893 7.075 634 HG13 ILE 88 HG13 ILE 88 -0.833 10.284 8.018 635 HG21 ILE 88 HG21 ILE 88 -2.178 8.340 9.302 636 HG22 ILE 88 HG22 ILE 88 -1.211 7.082 10.075 637 HG23 ILE 88 HG23 ILE 88 -1.312 7.161 8.315 638 HD11 ILE 88 HD11 ILE 88 2.011 9.477 7.472 639 HD12 ILE 88 HD12 ILE 88 1.501 10.868 8.430 640 HD13 ILE 88 HD13 ILE 88 1.131 10.799 6.705 641 H LYS 89 H LYS 89 0.008 11.984 9.825 642 HA LYS 89 HA LYS 89 -2.845 12.331 10.436 643 HB2 LYS 89 HB2 LYS 89 -1.435 13.390 12.177 644 HB3 LYS 89 HB3 LYS 89 -0.666 14.372 10.940 645 HG2 LYS 89 HG2 LYS 89 -2.756 15.497 10.476 646 HG3 LYS 89 HG3 LYS 89 -3.611 14.435 11.591 647 HD2 LYS 89 HD2 LYS 89 -1.400 16.326 12.383 648 HD3 LYS 89 HD3 LYS 89 -3.120 16.688 12.518 649 HE2 LYS 89 HE2 LYS 89 -1.633 14.474 13.937 650 HE3 LYS 89 HE3 LYS 89 -2.246 15.958 14.661 651 HZ1 LYS 89 HZ1 LYS 89 -3.735 14.146 15.127 652 HZ2 LYS 89 HZ2 LYS 89 -3.877 13.771 13.483 653 HZ3 LYS 89 HZ3 LYS 89 -4.506 15.229 14.074 654 H TYR 90 H TYR 90 -4.034 13.297 8.946 655 HA TYR 90 HA TYR 90 -2.667 14.254 6.515 656 HB2 TYR 90 HB2 TYR 90 -5.514 13.223 6.673 657 HB3 TYR 90 HB3 TYR 90 -4.572 13.559 5.228 658 HD1 TYR 90 HD2 TYR 90 -2.512 12.136 4.770 659 HD2 TYR 90 HD1 TYR 90 -5.481 11.062 7.615 660 HE1 TYR 90 HE2 TYR 90 -1.717 9.812 4.715 661 HE2 TYR 90 HE1 TYR 90 -4.691 8.733 7.574 662 HH TYR 90 HH TYR 90 -3.441 7.235 6.293 663 H LYS 91 H LYS 91 -3.343 16.121 5.541 664 HA LYS 91 HA LYS 91 -5.420 17.682 6.903 665 HB2 LYS 91 HB2 LYS 91 -3.904 19.595 5.622 666 HB3 LYS 91 HB3 LYS 91 -3.835 19.234 7.335 667 HG2 LYS 91 HG2 LYS 91 -1.599 19.353 6.573 668 HG3 LYS 91 HG3 LYS 91 -1.939 17.649 6.826 669 HD2 LYS 91 HD2 LYS 91 -0.646 17.904 4.804 670 HD3 LYS 91 HD3 LYS 91 -2.280 17.407 4.364 671 HE2 LYS 91 HE2 LYS 91 -2.847 19.561 3.615 672 HE3 LYS 91 HE3 LYS 91 -1.444 20.298 4.394 673 HZ1 LYS 91 HZ1 LYS 91 -1.332 18.405 2.106 674 HZ2 LYS 91 HZ2 LYS 91 -0.025 19.225 2.800 675 HZ3 LYS 91 HZ3 LYS 91 -1.223 20.091 1.978 676 H ASP 92 H ASP 92 -7.079 16.956 5.468 677 HA ASP 92 HA ASP 92 -7.078 17.743 2.790 678 HB2 ASP 92 HB2 ASP 92 -5.267 15.920 2.856 679 HB3 ASP 92 HB3 ASP 92 -6.590 14.792 3.114 680 H ASN 93 H ASN 93 -8.883 16.471 1.585 681 HA ASN 93 HA ASN 93 -11.056 15.954 3.473 682 HB2 ASN 93 HB2 ASN 93 -11.166 17.590 1.454 683 HB3 ASN 93 HB3 ASN 93 -11.336 16.132 0.483 684 HD21 ASN 93 HD21 ASN 93 -12.770 18.118 2.943 685 HD22 ASN 93 HD22 ASN 93 -14.385 17.508 2.777 686 H ASP 94 H ASP 94 -8.726 14.178 1.865 687 HA ASP 94 HA ASP 94 -10.424 11.770 1.948 688 HB2 ASP 94 HB2 ASP 94 -9.666 12.608 -0.458 689 HB3 ASP 94 HB3 ASP 94 -8.142 11.867 0.009 690 H GLY 95 H GLY 95 -7.071 12.989 1.892 691 HA2 GLY 95 HA2 GLY 95 -5.994 11.884 4.056 692 HA3 GLY 95 HA3 GLY 95 -6.135 10.475 3.019 693 H HIS 96 H HIS 96 -5.109 13.850 2.494 694 HA HIS 96 HA HIS 96 -2.587 12.833 1.370 695 HB2 HIS 96 HB2 HIS 96 -4.038 15.444 1.022 696 HB3 HIS 96 HB3 HIS 96 -2.329 15.309 0.641 697 HD1 HIS 96 HD1 HIS 96 -5.179 15.600 -1.142 698 HD2 HIS 96 HD2 HIS 96 -2.325 12.570 -1.116 699 HE1 HIS 96 HE1 HIS 96 -5.402 14.443 -3.365 700 HE2 HIS 96 HE2 HIS 96 -3.549 12.745 -3.393 701 H THR 97 H THR 97 -0.653 13.748 2.036 702 HA THR 97 HA THR 97 -0.715 15.313 4.484 703 HB THR 97 HB THR 97 -0.606 13.067 5.357 704 HG1 THR 97 HG1 THR 97 0.719 13.983 6.700 705 HG21 THR 97 HG21 THR 97 0.213 11.862 3.410 706 HG22 THR 97 HG22 THR 97 1.205 11.510 4.825 707 HG23 THR 97 HG23 THR 97 1.798 12.620 3.589 708 H ASP 98 H ASP 98 1.170 16.527 4.833 709 HA ASP 98 HA ASP 98 2.534 17.103 2.306 710 HB2 ASP 98 HB2 ASP 98 1.351 18.892 3.686 711 HB3 ASP 98 HB3 ASP 98 2.658 18.723 4.853 712 H ALA 99 H ALA 99 3.019 15.548 5.256 713 HA ALA 99 HA ALA 99 5.800 15.793 5.658 714 HB1 ALA 99 HB1 ALA 99 5.581 13.752 6.997 715 HB2 ALA 99 HB2 ALA 99 3.963 13.493 6.343 716 HB3 ALA 99 HB3 ALA 99 4.289 14.897 7.359 717 H ILE 100 H ILE 100 3.858 13.399 3.909 718 HA ILE 100 HA ILE 100 6.223 12.402 2.546 719 HB ILE 100 HB ILE 100 3.345 11.563 2.088 720 HG12 ILE 100 HG12 ILE 100 5.391 10.249 3.905 721 HG13 ILE 100 HG13 ILE 100 4.128 11.321 4.493 722 HG21 ILE 100 HG21 ILE 100 4.363 9.526 1.215 723 HG22 ILE 100 HG22 ILE 100 5.969 10.182 1.538 724 HG23 ILE 100 HG23 ILE 100 4.928 10.948 0.335 725 HD11 ILE 100 HD11 ILE 100 3.562 8.980 4.803 726 HD12 ILE 100 HD12 ILE 100 3.689 8.715 3.063 727 HD13 ILE 100 HD13 ILE 100 2.436 9.778 3.705 728 H SER 101 H SER 101 6.776 14.289 1.520 729 HA SER 101 HA SER 101 4.954 15.682 -0.203 730 HB2 SER 101 HB2 SER 101 6.784 16.764 1.159 731 HB3 SER 101 HB3 SER 101 7.947 16.056 0.040 732 HG SER 101 HG SER 101 5.915 17.961 -0.527 733 H GLY 102 H GLY 102 4.350 14.718 -2.000 734 HA2 GLY 102 HA2 GLY 102 5.438 14.649 -4.355 735 HA3 GLY 102 HA3 GLY 102 6.334 13.309 -3.650 736 H ALA 103 H ALA 103 3.807 12.739 -2.028 737 HA ALA 103 HA ALA 103 2.782 10.763 -3.813 738 HB1 ALA 103 HB1 ALA 103 1.897 11.500 -1.037 739 HB2 ALA 103 HB2 ALA 103 3.126 10.304 -1.449 740 HB3 ALA 103 HB3 ALA 103 1.448 10.042 -1.921 741 H THR 104 H THR 104 1.544 11.450 -5.421 742 HA THR 104 HA THR 104 -0.316 13.618 -5.217 743 HB THR 104 HB THR 104 -0.020 11.609 -7.469 744 HG1 THR 104 HG1 THR 104 1.374 13.332 -8.324 745 HG21 THR 104 HG21 THR 104 -0.844 13.455 -8.883 746 HG22 THR 104 HG22 THR 104 -1.060 14.455 -7.447 747 HG23 THR 104 HG23 THR 104 -2.036 13.000 -7.664 748 H ILE 105 H ILE 105 -0.538 10.116 -5.128 749 HA ILE 105 HA ILE 105 -3.438 10.187 -5.024 750 HB ILE 105 HB ILE 105 -2.283 8.457 -6.327 751 HG12 ILE 105 HG12 ILE 105 -4.525 8.101 -4.875 752 HG13 ILE 105 HG13 ILE 105 -3.900 6.919 -6.008 753 HG21 ILE 105 HG21 ILE 105 -1.085 6.608 -5.264 754 HG22 ILE 105 HG22 ILE 105 -1.185 7.456 -3.721 755 HG23 ILE 105 HG23 ILE 105 -0.282 8.166 -5.060 756 HD11 ILE 105 HD11 ILE 105 -4.627 5.859 -3.972 757 HD12 ILE 105 HD12 ILE 105 -3.560 6.888 -3.015 758 HD13 ILE 105 HD13 ILE 105 -2.876 5.704 -4.132 759 H LYS 106 H LYS 106 -4.652 9.562 -3.196 760 HA LYS 106 HA LYS 106 -3.756 10.518 -0.752 761 HB2 LYS 106 HB2 LYS 106 -5.795 9.553 0.249 762 HB3 LYS 106 HB3 LYS 106 -6.092 10.525 -1.177 763 HG2 LYS 106 HG2 LYS 106 -5.939 7.538 -1.378 764 HG3 LYS 106 HG3 LYS 106 -7.407 8.332 -0.812 765 HD2 LYS 106 HD2 LYS 106 -7.253 9.735 -2.943 766 HD3 LYS 106 HD3 LYS 106 -6.079 8.543 -3.500 767 HE2 LYS 106 HE2 LYS 106 -8.227 7.931 -4.361 768 HE3 LYS 106 HE3 LYS 106 -7.804 6.777 -3.094 769 HZ1 LYS 106 HZ1 LYS 106 -9.202 8.041 -1.553 770 HZ2 LYS 106 HZ2 LYS 106 -10.100 7.489 -2.880 771 HZ3 LYS 106 HZ3 LYS 106 -9.620 9.109 -2.795 772 H VAL 107 H VAL 107 -2.645 9.854 0.752 773 HA VAL 107 HA VAL 107 -1.285 7.348 0.768 774 HB VAL 107 HB VAL 107 -1.219 9.854 2.458 775 HG11 VAL 107 HG11 VAL 107 -0.599 8.027 3.959 776 HG12 VAL 107 HG12 VAL 107 0.769 9.076 3.583 777 HG13 VAL 107 HG13 VAL 107 0.621 7.504 2.797 778 HG21 VAL 107 HG21 VAL 107 -0.289 9.973 0.219 779 HG22 VAL 107 HG22 VAL 107 0.753 8.592 0.580 780 HG23 VAL 107 HG23 VAL 107 0.979 10.116 1.441 781 H LYS 108 H LYS 108 -4.229 8.389 2.115 782 HA LYS 108 HA LYS 108 -4.121 7.191 4.640 783 HB2 LYS 108 HB2 LYS 108 -6.468 7.591 4.828 784 HB3 LYS 108 HB3 LYS 108 -5.715 8.961 4.047 785 HG2 LYS 108 HG2 LYS 108 -7.564 8.794 2.769 786 HG3 LYS 108 HG3 LYS 108 -6.530 7.686 1.865 787 HD2 LYS 108 HD2 LYS 108 -8.785 6.758 2.233 788 HD3 LYS 108 HD3 LYS 108 -7.542 5.779 3.009 789 HE2 LYS 108 HE2 LYS 108 -8.058 6.970 5.153 790 HE3 LYS 108 HE3 LYS 108 -9.408 7.750 4.329 791 HZ1 LYS 108 HZ1 LYS 108 -10.215 5.857 5.507 792 HZ2 LYS 108 HZ2 LYS 108 -9.049 4.844 4.819 793 HZ3 LYS 108 HZ3 LYS 108 -10.279 5.499 3.851 794 H LYS 109 H LYS 109 -4.842 5.788 1.527 795 HA LYS 109 HA LYS 109 -6.015 3.407 2.632 796 HB2 LYS 109 HB2 LYS 109 -6.663 4.171 0.396 797 HB3 LYS 109 HB3 LYS 109 -5.012 3.961 -0.172 798 HG2 LYS 109 HG2 LYS 109 -5.152 1.637 -0.116 799 HG3 LYS 109 HG3 LYS 109 -6.539 1.649 0.967 800 HD2 LYS 109 HD2 LYS 109 -6.613 2.625 -1.880 801 HD3 LYS 109 HD3 LYS 109 -7.045 0.986 -1.391 802 HE2 LYS 109 HE2 LYS 109 -8.796 1.929 0.083 803 HE3 LYS 109 HE3 LYS 109 -8.379 3.541 -0.488 804 HZ1 LYS 109 HZ1 LYS 109 -8.884 2.673 -2.782 805 HZ2 LYS 109 HZ2 LYS 109 -10.217 2.867 -1.749 806 HZ3 LYS 109 HZ3 LYS 109 -9.586 1.324 -2.030 807 H PHE 110 H PHE 110 -2.775 4.441 1.812 808 HA PHE 110 HA PHE 110 -1.511 1.918 1.807 809 HB2 PHE 110 HB2 PHE 110 -0.325 3.867 0.971 810 HB3 PHE 110 HB3 PHE 110 -0.433 4.656 2.540 811 HD1 PHE 110 HD1 PHE 110 1.158 1.862 0.706 812 HD2 PHE 110 HD2 PHE 110 1.135 4.265 4.211 813 HE1 PHE 110 HE1 PHE 110 3.321 0.891 1.389 814 HE2 PHE 110 HE2 PHE 110 3.278 3.298 4.901 815 HZ PHE 110 HZ PHE 110 4.368 1.609 3.508 816 H PHE 111 H PHE 111 -1.863 4.318 4.397 817 HA PHE 111 HA PHE 111 -0.797 2.588 6.383 818 HB2 PHE 111 HB2 PHE 111 -2.197 5.245 6.488 819 HB3 PHE 111 HB3 PHE 111 -1.778 4.372 7.960 820 HD1 PHE 111 HD1 PHE 111 0.569 3.976 8.543 821 HD2 PHE 111 HD2 PHE 111 -0.487 6.344 5.167 822 HE1 PHE 111 HE1 PHE 111 2.850 4.882 8.473 823 HE2 PHE 111 HE2 PHE 111 1.802 7.244 5.095 824 HZ PHE 111 HZ PHE 111 3.468 6.517 6.749 825 H ASP 112 H ASP 112 -4.023 3.143 5.169 826 HA ASP 112 HA ASP 112 -5.575 1.962 7.211 827 HB2 ASP 112 HB2 ASP 112 -6.090 3.064 4.736 828 HB3 ASP 112 HB3 ASP 112 -6.441 1.369 4.468 829 H LEU 113 H LEU 113 -4.266 0.588 4.211 830 HA LEU 113 HA LEU 113 -5.110 -2.072 4.806 831 HB2 LEU 113 HB2 LEU 113 -3.670 -0.728 2.601 832 HB3 LEU 113 HB3 LEU 113 -3.341 -2.427 2.814 833 HG LEU 113 HG LEU 113 -5.034 -2.268 1.168 834 HD11 LEU 113 HD11 LEU 113 -5.365 -4.047 2.785 835 HD12 LEU 113 HD12 LEU 113 -6.908 -3.437 2.188 836 HD13 LEU 113 HD13 LEU 113 -6.336 -2.970 3.790 837 HD21 LEU 113 HD21 LEU 113 -5.799 -0.003 1.595 838 HD22 LEU 113 HD22 LEU 113 -6.593 -0.537 3.078 839 HD23 LEU 113 HD23 LEU 113 -7.158 -1.125 1.513 840 H ALA 114 H ALA 114 -2.164 -0.282 5.342 841 HA ALA 114 HA ALA 114 -0.538 -2.485 6.019 842 HB1 ALA 114 HB1 ALA 114 -0.377 0.342 7.024 843 HB2 ALA 114 HB2 ALA 114 0.338 -0.264 5.530 844 HB3 ALA 114 HB3 ALA 114 0.906 -0.867 7.087 845 H GLN 115 H GLN 115 -2.789 -0.515 7.937 846 HA GLN 115 HA GLN 115 -2.292 -1.805 10.439 847 HB2 GLN 115 HB2 GLN 115 -4.667 -0.259 9.400 848 HB3 GLN 115 HB3 GLN 115 -4.596 -0.898 11.034 849 HG2 GLN 115 HG2 GLN 115 -2.719 0.507 11.558 850 HG3 GLN 115 HG3 GLN 115 -2.612 1.051 9.883 851 HE21 GLN 115 HE21 GLN 115 -4.120 2.501 9.096 852 HE22 GLN 115 HE22 GLN 115 -5.159 3.417 10.135 853 H LYS 116 H LYS 116 -4.395 -2.444 7.720 854 HA LYS 116 HA LYS 116 -5.920 -4.517 8.947 855 HB2 LYS 116 HB2 LYS 116 -5.580 -3.640 6.081 856 HB3 LYS 116 HB3 LYS 116 -6.634 -4.968 6.556 857 HG2 LYS 116 HG2 LYS 116 -8.006 -3.520 7.856 858 HG3 LYS 116 HG3 LYS 116 -6.866 -2.188 7.683 859 HD2 LYS 116 HD2 LYS 116 -8.678 -1.761 6.207 860 HD3 LYS 116 HD3 LYS 116 -7.307 -2.255 5.215 861 HE2 LYS 116 HE2 LYS 116 -8.229 -4.456 4.945 862 HE3 LYS 116 HE3 LYS 116 -9.528 -4.098 6.084 863 HZ1 LYS 116 HZ1 LYS 116 -10.379 -2.445 4.562 864 HZ2 LYS 116 HZ2 LYS 116 -10.258 -3.936 3.773 865 HZ3 LYS 116 HZ3 LYS 116 -9.109 -2.729 3.485 866 H ALA 117 H ALA 117 -2.864 -4.409 7.292 867 HA ALA 117 HA ALA 117 -2.618 -7.175 6.716 868 HB1 ALA 117 HB1 ALA 117 -0.236 -6.715 6.482 869 HB2 ALA 117 HB2 ALA 117 -0.457 -5.141 7.246 870 HB3 ALA 117 HB3 ALA 117 -1.201 -5.475 5.681 871 H LEU 118 H LEU 118 -1.990 -5.238 9.569 872 HA LEU 118 HA LEU 118 -0.868 -7.567 10.983 873 HB2 LEU 118 HB2 LEU 118 -0.749 -4.637 11.698 874 HB3 LEU 118 HB3 LEU 118 0.103 -5.937 12.508 875 HG LEU 118 HG LEU 118 0.679 -5.704 9.635 876 HD11 LEU 118 HD11 LEU 118 2.111 -3.768 9.916 877 HD12 LEU 118 HD12 LEU 118 1.533 -3.573 11.573 878 HD13 LEU 118 HD13 LEU 118 0.419 -3.372 10.217 879 HD21 LEU 118 HD21 LEU 118 1.883 -7.226 11.090 880 HD22 LEU 118 HD22 LEU 118 2.380 -5.876 12.113 881 HD23 LEU 118 HD23 LEU 118 2.960 -5.986 10.449 882 H LYS 119 H LYS 119 -3.786 -6.828 10.530 883 HA LYS 119 HA LYS 119 -4.951 -5.701 12.811 884 HB2 LYS 119 HB2 LYS 119 -7.094 -6.607 11.965 885 HB3 LYS 119 HB3 LYS 119 -6.148 -5.798 10.725 886 HG2 LYS 119 HG2 LYS 119 -6.532 -7.581 9.452 887 HG3 LYS 119 HG3 LYS 119 -5.384 -8.443 10.470 888 HD2 LYS 119 HD2 LYS 119 -7.358 -9.772 10.312 889 HD3 LYS 119 HD3 LYS 119 -7.305 -9.095 11.939 890 HE2 LYS 119 HE2 LYS 119 -8.966 -7.469 11.395 891 HE3 LYS 119 HE3 LYS 119 -8.884 -7.876 9.682 892 HZ1 LYS 119 HZ1 LYS 119 -9.833 -10.010 10.132 893 HZ2 LYS 119 HZ2 LYS 119 -10.827 -8.833 10.828 894 HZ3 LYS 119 HZ3 LYS 119 -9.786 -9.748 11.805 895 H ASP 120 H ASP 120 -4.358 -9.103 12.093 896 HA ASP 120 HA ASP 120 -4.942 -9.712 14.909 897 HB2 ASP 120 HB2 ASP 120 -4.993 -12.140 14.085 898 HB3 ASP 120 HB3 ASP 120 -6.345 -11.110 13.649 899 H ALA 121 H ALA 121 -2.479 -9.121 12.844 900 HA ALA 121 HA ALA 121 -0.279 -9.591 12.570 901 HB1 ALA 121 HB1 ALA 121 -0.224 -8.624 14.818 902 HB2 ALA 121 HB2 ALA 121 1.062 -9.803 14.554 903 HB3 ALA 121 HB3 ALA 121 -0.358 -10.241 15.504 904 H GLU 122 H GLU 122 -2.175 -11.853 12.187 905 HA GLU 122 HA GLU 122 -0.255 -14.078 12.494 906 HB2 GLU 122 HB2 GLU 122 -3.277 -14.188 12.500 907 HB3 GLU 122 HB3 GLU 122 -2.231 -15.598 12.483 908 HG2 GLU 122 HG2 GLU 122 -2.476 -13.548 14.668 909 HG3 GLU 122 HG3 GLU 122 -3.046 -15.216 14.710 910 H LYS 123 H LYS 123 -1.930 -12.104 10.339 911 HA LYS 123 HA LYS 123 -2.350 -13.861 8.163 912 HB2 LYS 123 HB2 LYS 123 -1.972 -10.867 8.253 913 HB3 LYS 123 HB3 LYS 123 -2.447 -11.754 6.811 914 HG2 LYS 123 HG2 LYS 123 -4.495 -12.446 7.831 915 HG3 LYS 123 HG3 LYS 123 -4.005 -11.772 9.386 916 HD2 LYS 123 HD2 LYS 123 -5.573 -10.281 8.313 917 HD3 LYS 123 HD3 LYS 123 -3.979 -9.522 8.352 918 HE2 LYS 123 HE2 LYS 123 -3.609 -10.237 6.038 919 HE3 LYS 123 HE3 LYS 123 -5.218 -10.950 6.013 920 HZ1 LYS 123 HZ1 LYS 123 -5.184 -8.783 4.976 921 HZ2 LYS 123 HZ2 LYS 123 -4.608 -8.081 6.405 922 HZ3 LYS 123 HZ3 LYS 123 -6.154 -8.767 6.365 923 H LEU 124 H LEU 124 -0.856 -14.893 7.016 924 HA LEU 124 HA LEU 124 1.846 -13.749 7.012 925 HB2 LEU 124 HB2 LEU 124 1.492 -15.748 8.484 926 HB3 LEU 124 HB3 LEU 124 1.157 -16.686 7.043 927 HG LEU 124 HG LEU 124 3.722 -15.267 6.926 928 HD11 LEU 124 HD11 LEU 124 4.858 -16.753 8.505 929 HD12 LEU 124 HD12 LEU 124 3.301 -17.420 8.998 930 HD13 LEU 124 HD13 LEU 124 3.678 -15.728 9.322 931 HD21 LEU 124 HD21 LEU 124 4.487 -17.469 6.183 932 HD22 LEU 124 HD22 LEU 124 3.040 -16.964 5.311 933 HD23 LEU 124 HD23 LEU 124 2.919 -18.157 6.604 934 H GLU 125 H GLU 125 2.587 -13.211 5.196 935 HA GLU 125 HA GLU 125 1.999 -14.762 2.760 936 HB2 GLU 125 HB2 GLU 125 1.660 -12.037 3.215 937 HB3 GLU 125 HB3 GLU 125 3.232 -12.104 2.440 938 HG2 GLU 125 HG2 GLU 125 0.755 -13.351 1.277 939 HG3 GLU 125 HG3 GLU 125 1.278 -11.708 0.919 940 H HIS 126 H HIS 126 4.141 -14.270 1.217 941 HA HIS 126 HA HIS 126 6.541 -14.546 2.899 942 HB2 HIS 126 HB2 HIS 126 5.879 -16.185 0.440 943 HB3 HIS 126 HB3 HIS 126 7.466 -16.136 1.186 944 HD1 HIS 126 HD1 HIS 126 4.570 -18.159 1.088 945 HD2 HIS 126 HD2 HIS 126 7.194 -17.008 4.099 946 HE1 HIS 126 HE1 HIS 126 4.284 -19.861 2.916 947 HE2 HIS 126 HE2 HIS 126 5.810 -19.092 4.771 948 H HIS 127 H HIS 127 7.515 -12.664 2.588 949 HA HIS 127 HA HIS 127 8.373 -12.035 -0.150 950 HB2 HIS 127 HB2 HIS 127 6.857 -10.278 1.667 951 HB3 HIS 127 HB3 HIS 127 8.305 -9.547 0.992 952 HD1 HIS 127 HD1 HIS 127 5.043 -11.135 -0.147 953 HD2 HIS 127 HD2 HIS 127 8.057 -8.635 -1.552 954 HE1 HIS 127 HE1 HIS 127 4.190 -10.196 -2.315 955 HE2 HIS 127 HE2 HIS 127 5.901 -8.475 -2.981 956 H HIS 128 H HIS 128 10.497 -11.470 -0.311 957 HA HIS 128 HA HIS 128 11.874 -10.623 2.101 958 HB2 HIS 128 HB2 HIS 128 13.708 -12.173 1.906 959 HB3 HIS 128 HB3 HIS 128 12.224 -13.095 1.953 960 HD1 HIS 128 HD1 HIS 128 11.440 -14.035 -0.511 961 HD2 HIS 128 HD2 HIS 128 15.386 -12.793 -0.113 962 HE1 HIS 128 HE1 HIS 128 12.666 -15.033 -2.473 963 HE2 HIS 128 HE2 HIS 128 14.977 -14.064 -2.328 964 H HIS 129 H HIS 129 12.686 -8.727 1.669 965 HA HIS 129 HA HIS 129 14.594 -8.390 -0.433 966 HB2 HIS 129 HB2 HIS 129 13.572 -6.574 -1.669 967 HB3 HIS 129 HB3 HIS 129 12.509 -7.960 -1.739 968 HD1 HIS 129 HD1 HIS 129 10.648 -7.650 0.562 969 HD2 HIS 129 HD2 HIS 129 12.086 -4.357 -1.524 970 HE1 HIS 129 HE1 HIS 129 8.949 -5.829 0.920 971 HE2 HIS 129 HE2 HIS 129 9.733 -3.927 -0.523 972 H HIS 130 H HIS 130 15.889 -6.521 -0.134 973 HA HIS 130 HA HIS 130 15.379 -5.147 2.420 974 HB2 HIS 130 HB2 HIS 130 17.815 -4.808 2.635 975 HB3 HIS 130 HB3 HIS 130 17.401 -6.509 2.563 976 HD1 HIS 130 HD1 HIS 130 18.450 -7.891 0.716 977 HD2 HIS 130 HD2 HIS 130 19.248 -3.824 0.347 978 HE1 HIS 130 HE1 HIS 130 20.222 -7.709 -1.059 979 HE2 HIS 130 HE2 HIS 130 20.642 -5.240 -1.322 980 H HIS 131 H HIS 131 16.589 -2.921 2.455 981 HA HIS 131 HA HIS 131 16.506 -1.627 -0.177 982 HB2 HIS 131 HB2 HIS 131 14.312 -1.297 1.185 983 HB3 HIS 131 HB3 HIS 131 15.279 -0.226 2.192 984 HD1 HIS 131 HD1 HIS 131 15.675 2.113 1.325 985 HD2 HIS 131 HD2 HIS 131 14.083 -0.428 -1.550 986 HE1 HIS 131 HE1 HIS 131 15.111 3.577 -0.637 987 HE2 HIS 131 HE2 HIS 131 14.018 2.046 -2.308 Start of MODEL 3 1 H1 MET 1 H1 MET 1 3.863 -8.380 17.471 2 H2 MET 1 H2 MET 1 2.744 -9.601 17.123 3 H3 MET 1 H3 MET 1 2.368 -7.983 16.781 4 HA MET 1 HA MET 1 2.945 -9.182 14.780 5 HB2 MET 1 HB2 MET 1 4.956 -7.114 15.699 6 HB3 MET 1 HB3 MET 1 4.826 -7.679 14.039 7 HG2 MET 1 HG2 MET 1 2.759 -6.664 13.723 8 HG3 MET 1 HG3 MET 1 2.454 -6.529 15.453 9 HE1 MET 1 HE1 MET 1 4.581 -5.114 12.421 10 HE2 MET 1 HE2 MET 1 5.805 -5.614 13.589 11 HE3 MET 1 HE3 MET 1 5.560 -3.900 13.248 12 H LYS 2 H LYS 2 4.379 -10.415 13.628 13 HA LYS 2 HA LYS 2 6.527 -11.732 15.160 14 HB2 LYS 2 HB2 LYS 2 4.491 -12.997 13.301 15 HB3 LYS 2 HB3 LYS 2 5.890 -13.833 13.959 16 HG2 LYS 2 HG2 LYS 2 5.037 -13.727 16.155 17 HG3 LYS 2 HG3 LYS 2 3.771 -12.592 15.682 18 HD2 LYS 2 HD2 LYS 2 2.722 -14.298 14.311 19 HD3 LYS 2 HD3 LYS 2 4.020 -15.432 14.700 20 HE2 LYS 2 HE2 LYS 2 3.401 -15.349 17.051 21 HE3 LYS 2 HE3 LYS 2 2.128 -14.185 16.684 22 HZ1 LYS 2 HZ1 LYS 2 2.265 -16.947 15.612 23 HZ2 LYS 2 HZ2 LYS 2 1.013 -15.835 15.361 24 HZ3 LYS 2 HZ3 LYS 2 1.296 -16.457 16.909 25 H ASP 3 H ASP 3 8.198 -12.704 13.740 26 HA ASP 3 HA ASP 3 8.764 -11.040 11.497 27 HB2 ASP 3 HB2 ASP 3 10.808 -12.291 11.225 28 HB3 ASP 3 HB3 ASP 3 10.570 -11.933 12.926 29 H GLY 4 H GLY 4 8.188 -11.227 9.532 30 HA2 GLY 4 HA2 GLY 4 7.890 -13.398 7.891 31 HA3 GLY 4 HA3 GLY 4 6.334 -13.233 8.703 32 H THR 5 H THR 5 5.609 -12.787 6.417 33 HA THR 5 HA THR 5 5.881 -9.910 5.968 34 HB THR 5 HB THR 5 5.716 -11.705 3.577 35 HG1 THR 5 HG1 THR 5 7.953 -11.107 5.193 36 HG21 THR 5 HG21 THR 5 6.880 -8.955 4.065 37 HG22 THR 5 HG22 THR 5 5.318 -9.295 3.315 38 HG23 THR 5 HG23 THR 5 6.809 -9.784 2.508 39 H TYR 6 H TYR 6 4.119 -9.017 6.149 40 HA TYR 6 HA TYR 6 1.582 -10.440 6.110 41 HB2 TYR 6 HB2 TYR 6 2.360 -7.620 6.954 42 HB3 TYR 6 HB3 TYR 6 0.758 -8.312 7.147 43 HD1 TYR 6 HD2 TYR 6 4.314 -8.911 8.203 44 HD2 TYR 6 HD1 TYR 6 0.179 -9.313 9.071 45 HE1 TYR 6 HE2 TYR 6 4.867 -9.795 10.430 46 HE2 TYR 6 HE1 TYR 6 0.720 -10.179 11.275 47 HH TYR 6 HH TYR 6 2.588 -11.343 12.374 48 H TYR 7 H TYR 7 0.013 -10.050 4.572 49 HA TYR 7 HA TYR 7 0.253 -7.559 3.109 50 HB2 TYR 7 HB2 TYR 7 0.773 -8.443 1.122 51 HB3 TYR 7 HB3 TYR 7 1.078 -9.954 1.953 52 HD1 TYR 7 HD2 TYR 7 -0.588 -11.758 1.890 53 HD2 TYR 7 HD1 TYR 7 -1.116 -8.143 -0.285 54 HE1 TYR 7 HE2 TYR 7 -2.321 -12.842 0.512 55 HE2 TYR 7 HE1 TYR 7 -2.844 -9.209 -1.667 56 HH TYR 7 HH TYR 7 -3.530 -11.425 -2.356 57 H ALA 8 H ALA 8 -1.668 -6.686 2.416 58 HA ALA 8 HA ALA 8 -4.144 -8.154 2.895 59 HB1 ALA 8 HB1 ALA 8 -3.718 -6.950 4.990 60 HB2 ALA 8 HB2 ALA 8 -5.131 -6.312 4.146 61 HB3 ALA 8 HB3 ALA 8 -3.599 -5.439 4.088 62 H GLU 9 H GLU 9 -5.858 -7.395 1.638 63 HA GLU 9 HA GLU 9 -5.032 -5.522 -0.481 64 HB2 GLU 9 HB2 GLU 9 -6.493 -6.750 -1.992 65 HB3 GLU 9 HB3 GLU 9 -5.320 -7.834 -1.266 66 HG2 GLU 9 HG2 GLU 9 -7.056 -8.564 0.340 67 HG3 GLU 9 HG3 GLU 9 -8.214 -7.551 -0.523 68 H ALA 10 H ALA 10 -6.582 -4.087 -1.307 69 HA ALA 10 HA ALA 10 -8.314 -2.920 0.583 70 HB1 ALA 10 HB1 ALA 10 -8.991 -1.437 -1.242 71 HB2 ALA 10 HB2 ALA 10 -8.204 -2.505 -2.406 72 HB3 ALA 10 HB3 ALA 10 -7.240 -1.643 -1.207 73 H ASP 11 H ASP 11 -10.626 -2.691 0.477 74 HA ASP 11 HA ASP 11 -11.947 -5.175 0.201 75 HB2 ASP 11 HB2 ASP 11 -13.179 -2.417 0.433 76 HB3 ASP 11 HB3 ASP 11 -14.018 -3.941 0.696 77 H ASP 12 H ASP 12 -12.019 -2.245 -1.760 78 HA ASP 12 HA ASP 12 -13.217 -3.807 -3.946 79 HB2 ASP 12 HB2 ASP 12 -14.582 -1.921 -2.738 80 HB3 ASP 12 HB3 ASP 12 -13.546 -0.820 -3.635 81 H PHE 13 H PHE 13 -12.787 -1.873 -5.955 82 HA PHE 13 HA PHE 13 -9.836 -1.727 -6.088 83 HB2 PHE 13 HB2 PHE 13 -11.844 -1.864 -8.357 84 HB3 PHE 13 HB3 PHE 13 -10.102 -1.744 -8.547 85 HD1 PHE 13 HD2 PHE 13 -12.877 -3.962 -7.559 86 HD2 PHE 13 HD1 PHE 13 -8.701 -3.656 -8.308 87 HE1 PHE 13 HE2 PHE 13 -12.709 -6.416 -7.601 88 HE2 PHE 13 HE1 PHE 13 -8.531 -6.108 -8.357 89 HZ PHE 13 HZ PHE 13 -10.528 -7.492 -7.997 90 H ASP 14 H ASP 14 -8.938 0.223 -7.022 91 HA ASP 14 HA ASP 14 -10.515 2.517 -6.226 92 HB2 ASP 14 HB2 ASP 14 -8.516 3.677 -6.022 93 HB3 ASP 14 HB3 ASP 14 -8.026 2.028 -5.669 94 H GLU 15 H GLU 15 -9.399 4.533 -7.883 95 HA GLU 15 HA GLU 15 -11.222 4.712 -9.984 96 HB2 GLU 15 HB2 GLU 15 -8.567 6.144 -9.927 97 HB3 GLU 15 HB3 GLU 15 -10.072 6.690 -10.644 98 HG2 GLU 15 HG2 GLU 15 -9.522 6.407 -7.695 99 HG3 GLU 15 HG3 GLU 15 -9.540 7.913 -8.607 100 H SER 16 H SER 16 -7.817 3.662 -10.018 101 HA SER 16 HA SER 16 -7.885 3.310 -12.914 102 HB2 SER 16 HB2 SER 16 -5.601 2.685 -11.044 103 HB3 SER 16 HB3 SER 16 -5.538 2.913 -12.794 104 HG SER 16 HG SER 16 -5.394 4.742 -10.832 105 H GLY 17 H GLY 17 -8.866 1.496 -10.350 106 HA2 GLY 17 HA2 GLY 17 -9.792 -0.629 -10.451 107 HA3 GLY 17 HA3 GLY 17 -9.048 -0.847 -12.028 108 H TRP 18 H TRP 18 -7.450 0.037 -9.026 109 HA TRP 18 HA TRP 18 -6.091 -2.567 -9.074 110 HB2 TRP 18 HB2 TRP 18 -5.034 0.137 -8.224 111 HB3 TRP 18 HB3 TRP 18 -4.193 -1.378 -7.919 112 HD1 TRP 18 HD1 TRP 18 -4.503 1.318 -10.461 113 HE1 TRP 18 HE1 TRP 18 -3.220 0.675 -12.611 114 HE3 TRP 18 HE3 TRP 18 -3.668 -3.628 -9.498 115 HZ2 TRP 18 HZ2 TRP 18 -2.054 -1.600 -13.735 116 HZ3 TRP 18 HZ3 TRP 18 -2.455 -4.956 -11.164 117 HH2 TRP 18 HH2 TRP 18 -1.666 -3.962 -13.237 118 H LYS 19 H LYS 19 -6.340 -3.796 -7.404 119 HA LYS 19 HA LYS 19 -7.608 -2.860 -4.957 120 HB2 LYS 19 HB2 LYS 19 -8.259 -5.011 -6.079 121 HB3 LYS 19 HB3 LYS 19 -6.646 -5.620 -5.752 122 HG2 LYS 19 HG2 LYS 19 -7.071 -5.438 -3.352 123 HG3 LYS 19 HG3 LYS 19 -8.712 -4.881 -3.703 124 HD2 LYS 19 HD2 LYS 19 -7.798 -7.391 -4.990 125 HD3 LYS 19 HD3 LYS 19 -8.148 -7.443 -3.264 126 HE2 LYS 19 HE2 LYS 19 -10.111 -6.246 -5.178 127 HE3 LYS 19 HE3 LYS 19 -10.019 -7.994 -4.968 128 HZ1 LYS 19 HZ1 LYS 19 -11.677 -6.960 -3.516 129 HZ2 LYS 19 HZ2 LYS 19 -10.459 -6.042 -2.774 130 HZ3 LYS 19 HZ3 LYS 19 -10.452 -7.728 -2.632 131 H ASP 20 H ASP 20 -6.228 -1.774 -3.754 132 HA ASP 20 HA ASP 20 -3.423 -1.965 -4.062 133 HB2 ASP 20 HB2 ASP 20 -4.883 -0.639 -1.777 134 HB3 ASP 20 HB3 ASP 20 -3.313 -0.208 -2.445 135 H THR 21 H THR 21 -1.988 -3.194 -3.052 136 HA THR 21 HA THR 21 -2.838 -4.472 -0.546 137 HB THR 21 HB THR 21 -1.582 -6.486 -1.051 138 HG1 THR 21 HG1 THR 21 -0.721 -4.996 -3.250 139 HG21 THR 21 HG21 THR 21 -2.844 -7.388 -2.955 140 HG22 THR 21 HG22 THR 21 -3.374 -5.754 -3.360 141 HG23 THR 21 HG23 THR 21 -3.873 -6.489 -1.837 142 H VAL 22 H VAL 22 -1.457 -4.414 1.096 143 HA VAL 22 HA VAL 22 1.068 -2.987 0.615 144 HB VAL 22 HB VAL 22 -0.690 -2.769 3.079 145 HG11 VAL 22 HG11 VAL 22 1.884 -1.355 2.390 146 HG12 VAL 22 HG12 VAL 22 1.686 -2.600 3.623 147 HG13 VAL 22 HG13 VAL 22 0.880 -1.042 3.806 148 HG21 VAL 22 HG21 VAL 22 -1.612 -1.563 1.163 149 HG22 VAL 22 HG22 VAL 22 -0.067 -0.746 0.924 150 HG23 VAL 22 HG23 VAL 22 -1.011 -0.439 2.383 151 H THR 23 H THR 23 2.645 -4.304 0.752 152 HA THR 23 HA THR 23 2.463 -6.698 2.400 153 HB THR 23 HB THR 23 4.711 -6.072 0.492 154 HG1 THR 23 HG1 THR 23 3.384 -6.250 -1.159 155 HG21 THR 23 HG21 THR 23 4.876 -8.039 1.942 156 HG22 THR 23 HG22 THR 23 4.727 -8.505 0.245 157 HG23 THR 23 HG23 THR 23 3.333 -8.621 1.321 158 H ILE 24 H ILE 24 3.231 -6.507 4.388 159 HA ILE 24 HA ILE 24 5.317 -4.542 5.024 160 HB ILE 24 HB ILE 24 3.456 -6.056 6.884 161 HG12 ILE 24 HG12 ILE 24 2.280 -4.489 5.332 162 HG13 ILE 24 HG13 ILE 24 2.086 -4.094 7.038 163 HG21 ILE 24 HG21 ILE 24 5.480 -5.359 8.014 164 HG22 ILE 24 HG22 ILE 24 4.114 -4.393 8.571 165 HG23 ILE 24 HG23 ILE 24 5.272 -3.705 7.432 166 HD11 ILE 24 HD11 ILE 24 3.746 -2.313 6.812 167 HD12 ILE 24 HD12 ILE 24 2.410 -2.098 5.680 168 HD13 ILE 24 HD13 ILE 24 3.955 -2.727 5.111 169 H GLU 25 H GLU 25 7.353 -5.423 5.107 170 HA GLU 25 HA GLU 25 7.596 -8.206 5.955 171 HB2 GLU 25 HB2 GLU 25 8.892 -7.706 3.971 172 HB3 GLU 25 HB3 GLU 25 9.661 -6.335 4.767 173 HG2 GLU 25 HG2 GLU 25 10.825 -7.762 6.263 174 HG3 GLU 25 HG3 GLU 25 9.948 -9.184 5.703 175 H VAL 26 H VAL 26 7.565 -8.483 7.981 176 HA VAL 26 HA VAL 26 8.983 -6.661 9.791 177 HB VAL 26 HB VAL 26 6.998 -8.862 10.445 178 HG11 VAL 26 HG11 VAL 26 6.925 -7.884 12.693 179 HG12 VAL 26 HG12 VAL 26 8.190 -6.742 12.233 180 HG13 VAL 26 HG13 VAL 26 8.540 -8.470 12.291 181 HG21 VAL 26 HG21 VAL 26 5.922 -7.028 9.275 182 HG22 VAL 26 HG22 VAL 26 6.623 -5.874 10.411 183 HG23 VAL 26 HG23 VAL 26 5.436 -7.054 10.970 184 H LYS 27 H LYS 27 10.818 -7.282 10.689 185 HA LYS 27 HA LYS 27 11.504 -10.107 10.926 186 HB2 LYS 27 HB2 LYS 27 12.333 -9.214 8.707 187 HB3 LYS 27 HB3 LYS 27 13.323 -8.083 9.611 188 HG2 LYS 27 HG2 LYS 27 14.532 -9.956 10.619 189 HG3 LYS 27 HG3 LYS 27 13.543 -11.085 9.684 190 HD2 LYS 27 HD2 LYS 27 15.391 -8.974 8.563 191 HD3 LYS 27 HD3 LYS 27 15.690 -10.712 8.584 192 HE2 LYS 27 HE2 LYS 27 13.810 -11.089 7.111 193 HE3 LYS 27 HE3 LYS 27 13.379 -9.381 7.180 194 HZ1 LYS 27 HZ1 LYS 27 15.907 -10.455 6.063 195 HZ2 LYS 27 HZ2 LYS 27 15.420 -8.832 6.068 196 HZ3 LYS 27 HZ3 LYS 27 14.566 -9.967 5.145 197 H ASN 28 H ASN 28 12.568 -10.443 12.792 198 HA ASN 28 HA ASN 28 13.543 -10.138 14.805 199 HB2 ASN 28 HB2 ASN 28 14.436 -7.436 13.764 200 HB3 ASN 28 HB3 ASN 28 15.017 -8.209 15.236 201 HD21 ASN 28 HD21 ASN 28 15.335 -7.885 11.882 202 HD22 ASN 28 HD22 ASN 28 16.602 -9.040 11.637 203 H GLY 29 H GLY 29 10.801 -9.304 14.219 204 HA2 GLY 29 HA2 GLY 29 9.070 -8.607 15.588 205 HA3 GLY 29 HA3 GLY 29 10.247 -7.899 16.673 206 H LYS 30 H LYS 30 11.066 -6.658 13.755 207 HA LYS 30 HA LYS 30 9.213 -4.392 14.019 208 HB2 LYS 30 HB2 LYS 30 11.171 -2.874 13.671 209 HB3 LYS 30 HB3 LYS 30 11.157 -3.719 15.209 210 HG2 LYS 30 HG2 LYS 30 12.866 -5.219 14.476 211 HG3 LYS 30 HG3 LYS 30 12.778 -4.596 12.827 212 HD2 LYS 30 HD2 LYS 30 13.534 -2.931 15.222 213 HD3 LYS 30 HD3 LYS 30 14.706 -3.728 14.170 214 HE2 LYS 30 HE2 LYS 30 13.893 -2.457 12.265 215 HE3 LYS 30 HE3 LYS 30 12.657 -1.703 13.272 216 HZ1 LYS 30 HZ1 LYS 30 14.574 -0.267 12.935 217 HZ2 LYS 30 HZ2 LYS 30 15.586 -1.416 13.663 218 HZ3 LYS 30 HZ3 LYS 30 14.374 -0.654 14.570 219 H ILE 31 H ILE 31 9.197 -2.929 12.121 220 HA ILE 31 HA ILE 31 9.075 -4.483 9.693 221 HB ILE 31 HB ILE 31 8.662 -1.498 10.028 222 HG12 ILE 31 HG12 ILE 31 6.571 -3.688 10.032 223 HG13 ILE 31 HG13 ILE 31 7.165 -2.887 11.480 224 HG21 ILE 31 HG21 ILE 31 9.034 -2.165 7.712 225 HG22 ILE 31 HG22 ILE 31 7.357 -1.677 7.958 226 HG23 ILE 31 HG23 ILE 31 7.767 -3.388 7.846 227 HD11 ILE 31 HD11 ILE 31 5.011 -1.995 10.749 228 HD12 ILE 31 HD12 ILE 31 5.732 -1.538 9.203 229 HD13 ILE 31 HD13 ILE 31 6.278 -0.768 10.693 230 H VAL 32 H VAL 32 10.778 -4.825 8.408 231 HA VAL 32 HA VAL 32 12.991 -2.890 8.502 232 HB VAL 32 HB VAL 32 14.457 -4.690 7.656 233 HG11 VAL 32 HG11 VAL 32 14.549 -5.993 9.721 234 HG12 VAL 32 HG12 VAL 32 12.948 -5.401 10.164 235 HG13 VAL 32 HG13 VAL 32 14.301 -4.277 10.047 236 HG21 VAL 32 HG21 VAL 32 13.688 -7.012 7.657 237 HG22 VAL 32 HG22 VAL 32 12.805 -6.038 6.480 238 HG23 VAL 32 HG23 VAL 32 12.049 -6.466 8.014 239 H SER 33 H SER 33 10.513 -4.071 6.518 240 HA SER 33 HA SER 33 11.430 -2.574 4.244 241 HB2 SER 33 HB2 SER 33 12.605 -4.839 4.047 242 HB3 SER 33 HB3 SER 33 11.008 -5.550 3.838 243 HG SER 33 HG SER 33 12.322 -3.680 2.159 244 H VAL 34 H VAL 34 9.780 -2.494 2.591 245 HA VAL 34 HA VAL 34 7.202 -3.649 3.117 246 HB VAL 34 HB VAL 34 7.096 -1.641 4.536 247 HG11 VAL 34 HG11 VAL 34 7.545 -0.088 2.012 248 HG12 VAL 34 HG12 VAL 34 8.620 -0.175 3.409 249 HG13 VAL 34 HG13 VAL 34 7.042 0.600 3.556 250 HG21 VAL 34 HG21 VAL 34 5.316 -1.446 2.115 251 HG22 VAL 34 HG22 VAL 34 5.028 -0.658 3.667 252 HG23 VAL 34 HG23 VAL 34 5.027 -2.419 3.557 253 H ASP 35 H ASP 35 5.996 -3.844 1.321 254 HA ASP 35 HA ASP 35 7.083 -2.807 -1.205 255 HB2 ASP 35 HB2 ASP 35 6.601 -5.580 -0.368 256 HB3 ASP 35 HB3 ASP 35 5.921 -5.171 -1.941 257 H TRP 36 H TRP 36 5.639 -2.218 -2.752 258 HA TRP 36 HA TRP 36 2.815 -2.264 -1.966 259 HB2 TRP 36 HB2 TRP 36 2.788 -0.312 -3.799 260 HB3 TRP 36 HB3 TRP 36 3.092 -0.014 -2.094 261 HD1 TRP 36 HD1 TRP 36 5.505 0.798 -1.399 262 HE1 TRP 36 HE1 TRP 36 7.517 1.695 -2.722 263 HE3 TRP 36 HE3 TRP 36 4.049 -0.558 -6.112 264 HZ2 TRP 36 HZ2 TRP 36 8.368 1.810 -5.403 265 HZ3 TRP 36 HZ3 TRP 36 5.522 -0.014 -7.997 266 HH2 TRP 36 HH2 TRP 36 7.637 1.147 -7.648 267 H ASN 37 H ASN 37 1.635 -3.616 -3.007 268 HA ASN 37 HA ASN 37 2.134 -4.082 -5.876 269 HB2 ASN 37 HB2 ASN 37 1.306 -6.078 -3.751 270 HB3 ASN 37 HB3 ASN 37 1.170 -6.400 -5.474 271 HD21 ASN 37 HD21 ASN 37 2.989 -6.811 -6.661 272 HD22 ASN 37 HD22 ASN 37 4.530 -7.131 -5.935 273 H ALA 38 H ALA 38 -0.060 -5.059 -6.881 274 HA ALA 38 HA ALA 38 -2.479 -4.209 -5.570 275 HB1 ALA 38 HB1 ALA 38 -1.585 -2.619 -7.978 276 HB2 ALA 38 HB2 ALA 38 -1.654 -2.019 -6.320 277 HB3 ALA 38 HB3 ALA 38 -3.138 -2.480 -7.155 278 H ILE 39 H ILE 39 -4.286 -5.145 -6.507 279 HA ILE 39 HA ILE 39 -3.667 -7.059 -8.662 280 HB ILE 39 HB ILE 39 -6.166 -7.105 -6.960 281 HG12 ILE 39 HG12 ILE 39 -3.559 -8.516 -6.318 282 HG13 ILE 39 HG13 ILE 39 -4.140 -7.084 -5.482 283 HG21 ILE 39 HG21 ILE 39 -6.171 -8.492 -8.962 284 HG22 ILE 39 HG22 ILE 39 -6.109 -9.505 -7.519 285 HG23 ILE 39 HG23 ILE 39 -4.648 -9.241 -8.473 286 HD11 ILE 39 HD11 ILE 39 -6.104 -8.327 -4.723 287 HD12 ILE 39 HD12 ILE 39 -4.597 -9.078 -4.193 288 HD13 ILE 39 HD13 ILE 39 -5.499 -9.767 -5.543 289 H ASN 40 H ASN 40 -4.604 -6.900 -10.620 290 HA ASN 40 HA ASN 40 -6.047 -4.495 -11.243 291 HB2 ASN 40 HB2 ASN 40 -4.274 -5.486 -12.699 292 HB3 ASN 40 HB3 ASN 40 -5.372 -6.812 -13.069 293 HD21 ASN 40 HD21 ASN 40 -4.943 -3.335 -13.298 294 HD22 ASN 40 HD22 ASN 40 -5.918 -3.124 -14.707 295 H LYS 41 H LYS 41 -8.081 -4.226 -11.871 296 HA LYS 41 HA LYS 41 -10.047 -5.988 -10.858 297 HB2 LYS 41 HB2 LYS 41 -10.208 -3.510 -10.898 298 HB3 LYS 41 HB3 LYS 41 -10.383 -3.576 -12.646 299 HG2 LYS 41 HG2 LYS 41 -12.456 -4.825 -12.399 300 HG3 LYS 41 HG3 LYS 41 -12.272 -4.784 -10.643 301 HD2 LYS 41 HD2 LYS 41 -12.385 -2.352 -10.678 302 HD3 LYS 41 HD3 LYS 41 -12.548 -2.377 -12.436 303 HE2 LYS 41 HE2 LYS 41 -14.637 -3.546 -12.275 304 HE3 LYS 41 HE3 LYS 41 -14.456 -3.712 -10.530 305 HZ1 LYS 41 HZ1 LYS 41 -14.845 -1.188 -12.037 306 HZ2 LYS 41 HZ2 LYS 41 -14.537 -1.273 -10.373 307 HZ3 LYS 41 HZ3 LYS 41 -15.960 -1.939 -11.009 308 H ASP 42 H ASP 42 -9.002 -5.212 -14.147 309 HA ASP 42 HA ASP 42 -11.106 -6.705 -15.390 310 HB2 ASP 42 HB2 ASP 42 -10.084 -4.734 -16.463 311 HB3 ASP 42 HB3 ASP 42 -8.549 -5.585 -16.568 312 H GLY 43 H GLY 43 -7.706 -7.291 -14.633 313 HA2 GLY 43 HA2 GLY 43 -7.718 -9.810 -16.089 314 HA3 GLY 43 HA3 GLY 43 -6.335 -9.072 -15.299 315 H GLY 44 H GLY 44 -7.064 -8.806 -12.739 316 HA2 GLY 44 HA2 GLY 44 -7.619 -10.116 -10.820 317 HA3 GLY 44 HA3 GLY 44 -7.716 -11.534 -11.857 318 H ASP 45 H ASP 45 -5.084 -9.700 -12.677 319 HA ASP 45 HA ASP 45 -3.247 -11.347 -11.077 320 HB2 ASP 45 HB2 ASP 45 -2.815 -10.001 -13.764 321 HB3 ASP 45 HB3 ASP 45 -1.591 -10.913 -12.888 322 H ASP 46 H ASP 46 -1.082 -10.183 -10.698 323 HA ASP 46 HA ASP 46 -1.776 -7.698 -9.370 324 HB2 ASP 46 HB2 ASP 46 -0.338 -9.630 -8.413 325 HB3 ASP 46 HB3 ASP 46 0.956 -8.987 -9.406 326 H LYS 47 H LYS 47 -0.204 -5.846 -9.494 327 HA LYS 47 HA LYS 47 0.287 -4.783 -12.031 328 HB2 LYS 47 HB2 LYS 47 0.138 -3.517 -9.874 329 HB3 LYS 47 HB3 LYS 47 1.725 -4.139 -9.442 330 HG2 LYS 47 HG2 LYS 47 2.676 -2.999 -11.416 331 HG3 LYS 47 HG3 LYS 47 1.084 -2.327 -11.766 332 HD2 LYS 47 HD2 LYS 47 2.643 -1.852 -9.221 333 HD3 LYS 47 HD3 LYS 47 2.574 -0.742 -10.587 334 HE2 LYS 47 HE2 LYS 47 0.216 -1.625 -8.916 335 HE3 LYS 47 HE3 LYS 47 1.044 -0.073 -8.788 336 HZ1 LYS 47 HZ1 LYS 47 -0.965 0.118 -10.103 337 HZ2 LYS 47 HZ2 LYS 47 -0.415 -1.066 -11.174 338 HZ3 LYS 47 HZ3 LYS 47 0.393 0.417 -11.072 339 H ASP 48 H ASP 48 2.297 -6.677 -9.861 340 HA ASP 48 HA ASP 48 4.713 -6.615 -11.323 341 HB2 ASP 48 HB2 ASP 48 4.524 -7.367 -8.970 342 HB3 ASP 48 HB3 ASP 48 3.666 -8.802 -9.519 343 H THR 49 H THR 49 2.000 -8.921 -11.318 344 HA THR 49 HA THR 49 3.103 -10.779 -13.123 345 HB THR 49 HB THR 49 0.148 -10.304 -12.715 346 HG1 THR 49 HG1 THR 49 2.015 -11.679 -11.042 347 HG21 THR 49 HG21 THR 49 -0.004 -12.732 -13.007 348 HG22 THR 49 HG22 THR 49 1.747 -12.829 -13.202 349 HG23 THR 49 HG23 THR 49 0.772 -11.986 -14.404 350 H LEU 50 H LEU 50 0.992 -7.977 -13.632 351 HA LEU 50 HA LEU 50 0.652 -8.354 -16.424 352 HB2 LEU 50 HB2 LEU 50 0.320 -5.949 -14.662 353 HB3 LEU 50 HB3 LEU 50 0.055 -5.881 -16.394 354 HG LEU 50 HG LEU 50 -1.474 -7.556 -14.405 355 HD11 LEU 50 HD11 LEU 50 -2.296 -5.239 -16.142 356 HD12 LEU 50 HD12 LEU 50 -2.033 -5.185 -14.397 357 HD13 LEU 50 HD13 LEU 50 -3.350 -6.153 -15.062 358 HD21 LEU 50 HD21 LEU 50 -1.240 -8.810 -16.467 359 HD22 LEU 50 HD22 LEU 50 -1.732 -7.402 -17.412 360 HD23 LEU 50 HD23 LEU 50 -2.887 -8.190 -16.331 361 H SER 51 H SER 51 3.093 -6.673 -14.519 362 HA SER 51 HA SER 51 4.444 -5.447 -16.684 363 HB2 SER 51 HB2 SER 51 4.716 -4.856 -14.261 364 HB3 SER 51 HB3 SER 51 5.624 -6.350 -14.044 365 HG SER 51 HG SER 51 6.308 -4.027 -15.482 366 H ARG 52 H ARG 52 4.541 -8.715 -15.352 367 HA ARG 52 HA ARG 52 6.945 -9.513 -16.706 368 HB2 ARG 52 HB2 ARG 52 4.749 -11.301 -15.645 369 HB3 ARG 52 HB3 ARG 52 6.391 -11.781 -16.035 370 HG2 ARG 52 HG2 ARG 52 5.556 -9.937 -13.808 371 HG3 ARG 52 HG3 ARG 52 6.064 -11.618 -13.643 372 HD2 ARG 52 HD2 ARG 52 8.284 -11.092 -14.322 373 HD3 ARG 52 HD3 ARG 52 7.812 -9.465 -14.814 374 HE ARG 52 HE ARG 52 7.212 -9.776 -12.093 375 HH11 ARG 52 HH11 ARG 52 10.060 -9.623 -14.160 376 HH12 ARG 52 HH12 ARG 52 11.052 -8.890 -12.936 377 HH21 ARG 52 HH21 ARG 52 8.499 -8.814 -10.511 378 HH22 ARG 52 HH22 ARG 52 10.164 -8.430 -10.856 379 H ASN 53 H ASN 53 3.494 -9.705 -17.402 380 HA ASN 53 HA ASN 53 3.846 -11.278 -19.788 381 HB2 ASN 53 HB2 ASN 53 1.487 -9.943 -18.498 382 HB3 ASN 53 HB3 ASN 53 1.365 -10.590 -20.129 383 HD21 ASN 53 HD21 ASN 53 1.634 -11.338 -16.770 384 HD22 ASN 53 HD22 ASN 53 1.362 -13.042 -16.920 385 H GLY 54 H GLY 54 3.975 -7.944 -19.057 386 HA2 GLY 54 HA2 GLY 54 4.434 -6.135 -20.447 387 HA3 GLY 54 HA3 GLY 54 4.280 -7.201 -21.835 388 H GLY 55 H GLY 55 1.784 -7.078 -19.435 389 HA2 GLY 55 HA2 GLY 55 0.049 -5.615 -21.319 390 HA3 GLY 55 HA3 GLY 55 -0.484 -7.059 -20.476 391 H TYR 56 H TYR 56 1.349 -4.245 -19.377 392 HA TYR 56 HA TYR 56 -0.097 -4.045 -16.928 393 HB2 TYR 56 HB2 TYR 56 2.288 -3.471 -17.185 394 HB3 TYR 56 HB3 TYR 56 1.855 -2.143 -18.242 395 HD1 TYR 56 HD2 TYR 56 -0.231 -2.649 -15.233 396 HD2 TYR 56 HD1 TYR 56 3.194 -0.695 -16.848 397 HE1 TYR 56 HE2 TYR 56 -0.181 -1.134 -13.317 398 HE2 TYR 56 HE1 TYR 56 3.240 0.815 -14.920 399 HH TYR 56 HH TYR 56 1.326 1.638 -13.165 400 H LYS 57 H LYS 57 -2.210 -3.711 -17.338 401 HA LYS 57 HA LYS 57 -3.006 -1.276 -18.755 402 HB2 LYS 57 HB2 LYS 57 -4.637 -3.694 -17.948 403 HB3 LYS 57 HB3 LYS 57 -5.258 -2.301 -18.819 404 HG2 LYS 57 HG2 LYS 57 -3.112 -4.150 -19.837 405 HG3 LYS 57 HG3 LYS 57 -4.822 -4.250 -20.260 406 HD2 LYS 57 HD2 LYS 57 -4.704 -1.982 -21.191 407 HD3 LYS 57 HD3 LYS 57 -2.983 -1.922 -20.799 408 HE2 LYS 57 HE2 LYS 57 -2.612 -3.870 -22.251 409 HE3 LYS 57 HE3 LYS 57 -4.323 -3.859 -22.679 410 HZ1 LYS 57 HZ1 LYS 57 -3.994 -1.580 -23.526 411 HZ2 LYS 57 HZ2 LYS 57 -3.103 -2.744 -24.372 412 HZ3 LYS 57 HZ3 LYS 57 -2.329 -1.738 -23.249 413 H MET 58 H MET 58 -3.816 0.374 -17.681 414 HA MET 58 HA MET 58 -5.014 -0.079 -15.038 415 HB2 MET 58 HB2 MET 58 -4.266 2.448 -16.527 416 HB3 MET 58 HB3 MET 58 -5.252 2.465 -15.071 417 HG2 MET 58 HG2 MET 58 -3.423 1.438 -13.826 418 HG3 MET 58 HG3 MET 58 -2.445 1.405 -15.292 419 HE1 MET 58 HE1 MET 58 -1.669 5.142 -15.938 420 HE2 MET 58 HE2 MET 58 -2.880 4.114 -16.708 421 HE3 MET 58 HE3 MET 58 -1.275 3.473 -16.349 422 H VAL 59 H VAL 59 -7.301 0.387 -14.772 423 HA VAL 59 HA VAL 59 -8.657 -0.223 -17.252 424 HB VAL 59 HB VAL 59 -10.609 -0.796 -16.048 425 HG11 VAL 59 HG11 VAL 59 -9.817 -2.428 -14.404 426 HG12 VAL 59 HG12 VAL 59 -8.228 -1.663 -14.417 427 HG13 VAL 59 HG13 VAL 59 -8.842 -2.443 -15.876 428 HG21 VAL 59 HG21 VAL 59 -10.792 1.101 -14.560 429 HG22 VAL 59 HG22 VAL 59 -9.422 0.519 -13.613 430 HG23 VAL 59 HG23 VAL 59 -10.923 -0.406 -13.651 431 H GLU 60 H GLU 60 -7.889 2.605 -15.666 432 HA GLU 60 HA GLU 60 -9.728 4.015 -17.448 433 HB2 GLU 60 HB2 GLU 60 -10.517 4.183 -15.069 434 HB3 GLU 60 HB3 GLU 60 -9.007 4.985 -14.671 435 HG2 GLU 60 HG2 GLU 60 -10.826 6.577 -14.960 436 HG3 GLU 60 HG3 GLU 60 -9.555 6.817 -16.159 437 H TYR 61 H TYR 61 -8.569 5.037 -18.910 438 HA TYR 61 HA TYR 61 -5.948 6.153 -18.164 439 HB2 TYR 61 HB2 TYR 61 -7.054 5.234 -20.810 440 HB3 TYR 61 HB3 TYR 61 -5.683 6.332 -20.731 441 HD1 TYR 61 HD1 TYR 61 -3.593 5.581 -19.559 442 HD2 TYR 61 HD2 TYR 61 -6.762 2.905 -20.497 443 HE1 TYR 61 HE1 TYR 61 -2.056 3.683 -19.302 444 HE2 TYR 61 HE2 TYR 61 -5.231 0.999 -20.237 445 HH TYR 61 HH TYR 61 -2.063 1.358 -18.894 446 H GLY 62 H GLY 62 -9.125 7.006 -18.682 447 HA2 GLY 62 HA2 GLY 62 -8.453 9.690 -19.695 448 HA3 GLY 62 HA3 GLY 62 -10.043 8.941 -19.778 449 H GLY 63 H GLY 63 -7.725 9.371 -17.129 450 HA2 GLY 63 HA2 GLY 63 -9.197 11.408 -15.826 451 HA3 GLY 63 HA3 GLY 63 -9.565 9.839 -15.119 452 H ALA 64 H ALA 64 -8.525 9.725 -13.270 453 HA ALA 64 HA ALA 64 -5.813 10.798 -13.042 454 HB1 ALA 64 HB1 ALA 64 -6.087 10.492 -10.638 455 HB2 ALA 64 HB2 ALA 64 -7.651 9.723 -10.904 456 HB3 ALA 64 HB3 ALA 64 -7.427 11.426 -11.308 457 H GLN 65 H GLN 65 -4.054 9.543 -12.924 458 HA GLN 65 HA GLN 65 -4.405 6.644 -12.926 459 HB2 GLN 65 HB2 GLN 65 -1.639 7.205 -13.067 460 HB3 GLN 65 HB3 GLN 65 -2.681 6.640 -14.359 461 HG2 GLN 65 HG2 GLN 65 -1.947 8.475 -15.409 462 HG3 GLN 65 HG3 GLN 65 -3.186 9.287 -14.462 463 HE21 GLN 65 HE21 GLN 65 -1.534 8.937 -11.966 464 HE22 GLN 65 HE22 GLN 65 -0.300 10.148 -12.093 465 H ALA 66 H ALA 66 -5.187 6.797 -10.750 466 HA ALA 66 HA ALA 66 -3.260 7.359 -8.656 467 HB1 ALA 66 HB1 ALA 66 -5.577 8.112 -8.420 468 HB2 ALA 66 HB2 ALA 66 -5.127 6.986 -7.140 469 HB3 ALA 66 HB3 ALA 66 -6.127 6.438 -8.486 470 H GLU 67 H GLU 67 -1.967 5.889 -7.902 471 HA GLU 67 HA GLU 67 -2.674 3.232 -7.246 472 HB2 GLU 67 HB2 GLU 67 -0.985 2.132 -8.811 473 HB3 GLU 67 HB3 GLU 67 -2.490 2.655 -9.554 474 HG2 GLU 67 HG2 GLU 67 -1.467 4.472 -10.615 475 HG3 GLU 67 HG3 GLU 67 -0.032 4.369 -9.593 476 H TRP 68 H TRP 68 -0.768 2.031 -6.406 477 HA TRP 68 HA TRP 68 1.193 3.830 -5.267 478 HB2 TRP 68 HB2 TRP 68 0.828 0.852 -4.854 479 HB3 TRP 68 HB3 TRP 68 1.934 1.887 -3.953 480 HD1 TRP 68 HD1 TRP 68 -1.147 0.280 -3.362 481 HE1 TRP 68 HE1 TRP 68 -2.691 1.567 -1.765 482 HE3 TRP 68 HE3 TRP 68 1.153 4.846 -3.501 483 HZ2 TRP 68 HZ2 TRP 68 -2.909 4.184 -0.707 484 HZ3 TRP 68 HZ3 TRP 68 0.215 6.678 -2.173 485 HH2 TRP 68 HH2 TRP 68 -1.773 6.354 -0.803 486 H HIS 69 H HIS 69 2.800 4.405 -6.487 487 HA HIS 69 HA HIS 69 4.579 2.412 -7.573 488 HB2 HIS 69 HB2 HIS 69 2.690 3.107 -9.311 489 HB3 HIS 69 HB3 HIS 69 3.724 4.511 -9.533 490 HD1 HIS 69 HD1 HIS 69 3.052 1.979 -11.494 491 HD2 HIS 69 HD2 HIS 69 6.629 2.889 -9.576 492 HE1 HIS 69 HE1 HIS 69 4.846 0.822 -12.831 493 HE2 HIS 69 HE2 HIS 69 7.013 1.552 -11.760 494 H GLU 70 H GLU 70 4.018 5.847 -8.300 495 HA GLU 70 HA GLU 70 6.839 6.418 -8.058 496 HB2 GLU 70 HB2 GLU 70 4.541 8.305 -8.575 497 HB3 GLU 70 HB3 GLU 70 6.243 8.612 -8.882 498 HG2 GLU 70 HG2 GLU 70 6.278 6.993 -10.651 499 HG3 GLU 70 HG3 GLU 70 4.634 6.480 -10.264 500 H GLN 71 H GLN 71 3.858 7.606 -6.554 501 HA GLN 71 HA GLN 71 5.225 9.256 -4.655 502 HB2 GLN 71 HB2 GLN 71 2.345 8.350 -4.526 503 HB3 GLN 71 HB3 GLN 71 3.047 9.774 -3.776 504 HG2 GLN 71 HG2 GLN 71 2.892 9.379 -6.752 505 HG3 GLN 71 HG3 GLN 71 1.633 10.176 -5.818 506 HE21 GLN 71 HE21 GLN 71 1.927 12.052 -7.022 507 HE22 GLN 71 HE22 GLN 71 3.276 13.105 -6.779 508 H ALA 72 H ALA 72 4.178 5.990 -4.778 509 HA ALA 72 HA ALA 72 3.943 5.444 -2.013 510 HB1 ALA 72 HB1 ALA 72 2.880 4.087 -3.731 511 HB2 ALA 72 HB2 ALA 72 3.906 3.117 -2.673 512 HB3 ALA 72 HB3 ALA 72 4.464 3.553 -4.289 513 H GLU 73 H GLU 73 6.696 5.510 -4.199 514 HA GLU 73 HA GLU 73 8.541 4.153 -2.536 515 HB2 GLU 73 HB2 GLU 73 8.930 4.638 -4.939 516 HB3 GLU 73 HB3 GLU 73 9.051 6.347 -4.566 517 HG2 GLU 73 HG2 GLU 73 10.890 4.672 -3.032 518 HG3 GLU 73 HG3 GLU 73 11.143 4.602 -4.771 519 H LYS 74 H LYS 74 7.381 7.469 -2.600 520 HA LYS 74 HA LYS 74 9.332 8.427 -0.727 521 HB2 LYS 74 HB2 LYS 74 6.692 9.751 -1.378 522 HB3 LYS 74 HB3 LYS 74 8.136 10.510 -0.733 523 HG2 LYS 74 HG2 LYS 74 7.611 9.559 -3.535 524 HG3 LYS 74 HG3 LYS 74 8.018 11.180 -2.984 525 HD2 LYS 74 HD2 LYS 74 9.860 8.784 -3.034 526 HD3 LYS 74 HD3 LYS 74 9.896 10.147 -4.148 527 HE2 LYS 74 HE2 LYS 74 10.659 11.624 -2.466 528 HE3 LYS 74 HE3 LYS 74 10.276 10.474 -1.183 529 HZ1 LYS 74 HZ1 LYS 74 12.424 10.226 -3.214 530 HZ2 LYS 74 HZ2 LYS 74 11.988 8.988 -2.146 531 HZ3 LYS 74 HZ3 LYS 74 12.618 10.443 -1.544 532 H VAL 75 H VAL 75 6.066 7.213 -0.584 533 HA VAL 75 HA VAL 75 5.548 7.877 2.138 534 HB VAL 75 HB VAL 75 4.127 5.926 0.309 535 HG11 VAL 75 HG11 VAL 75 3.175 7.205 2.861 536 HG12 VAL 75 HG12 VAL 75 3.603 5.506 2.653 537 HG13 VAL 75 HG13 VAL 75 2.219 6.179 1.790 538 HG21 VAL 75 HG21 VAL 75 4.139 8.190 -0.571 539 HG22 VAL 75 HG22 VAL 75 3.522 8.800 0.966 540 HG23 VAL 75 HG23 VAL 75 2.525 7.734 -0.024 541 H GLU 76 H GLU 76 6.796 4.990 0.521 542 HA GLU 76 HA GLU 76 6.534 3.206 2.692 543 HB2 GLU 76 HB2 GLU 76 8.048 1.729 1.517 544 HB3 GLU 76 HB3 GLU 76 6.900 2.424 0.385 545 HG2 GLU 76 HG2 GLU 76 8.521 3.821 -0.556 546 HG3 GLU 76 HG3 GLU 76 9.640 3.557 0.778 547 H ALA 77 H ALA 77 9.099 5.462 1.810 548 HA ALA 77 HA ALA 77 11.066 4.721 3.645 549 HB1 ALA 77 HB1 ALA 77 11.914 6.984 3.370 550 HB2 ALA 77 HB2 ALA 77 10.387 7.469 2.630 551 HB3 ALA 77 HB3 ALA 77 11.424 6.293 1.823 552 H TYR 78 H TYR 78 8.263 6.810 4.016 553 HA TYR 78 HA TYR 78 8.805 7.692 6.655 554 HB2 TYR 78 HB2 TYR 78 7.327 8.904 5.120 555 HB3 TYR 78 HB3 TYR 78 6.210 7.546 5.103 556 HD1 TYR 78 HD2 TYR 78 7.504 10.347 7.122 557 HD2 TYR 78 HD1 TYR 78 4.661 7.200 6.887 558 HE1 TYR 78 HE2 TYR 78 6.263 11.322 9.013 559 HE2 TYR 78 HE1 TYR 78 3.425 8.160 8.764 560 HH TYR 78 HH TYR 78 3.728 9.595 10.607 561 H LEU 79 H LEU 79 7.037 4.910 5.348 562 HA LEU 79 HA LEU 79 5.857 4.113 7.812 563 HB2 LEU 79 HB2 LEU 79 5.117 3.488 5.477 564 HB3 LEU 79 HB3 LEU 79 6.461 2.377 5.413 565 HG LEU 79 HG LEU 79 4.071 1.500 5.930 566 HD11 LEU 79 HD11 LEU 79 6.019 0.075 5.971 567 HD12 LEU 79 HD12 LEU 79 4.938 -0.312 7.310 568 HD13 LEU 79 HD13 LEU 79 6.408 0.618 7.604 569 HD21 LEU 79 HD21 LEU 79 3.539 1.362 8.327 570 HD22 LEU 79 HD22 LEU 79 3.495 3.015 7.715 571 HD23 LEU 79 HD23 LEU 79 4.873 2.468 8.670 572 H VAL 80 H VAL 80 8.828 3.177 6.130 573 HA VAL 80 HA VAL 80 9.622 1.202 8.019 574 HB VAL 80 HB VAL 80 11.289 2.678 5.954 575 HG11 VAL 80 HG11 VAL 80 12.877 0.823 6.118 576 HG12 VAL 80 HG12 VAL 80 11.933 0.127 7.436 577 HG13 VAL 80 HG13 VAL 80 12.738 1.680 7.655 578 HG21 VAL 80 HG21 VAL 80 10.998 0.646 4.617 579 HG22 VAL 80 HG22 VAL 80 9.457 1.426 4.977 580 HG23 VAL 80 HG23 VAL 80 9.945 -0.019 5.867 581 H GLU 81 H GLU 81 10.218 4.705 7.821 582 HA GLU 81 HA GLU 81 12.129 4.635 9.962 583 HB2 GLU 81 HB2 GLU 81 12.253 6.979 9.823 584 HB3 GLU 81 HB3 GLU 81 12.020 6.429 8.172 585 HG2 GLU 81 HG2 GLU 81 9.646 7.032 8.314 586 HG3 GLU 81 HG3 GLU 81 9.897 7.577 9.970 587 H LYS 82 H LYS 82 8.645 4.908 9.794 588 HA LYS 82 HA LYS 82 8.393 6.053 12.438 589 HB2 LYS 82 HB2 LYS 82 6.748 5.772 10.102 590 HB3 LYS 82 HB3 LYS 82 5.881 5.167 11.506 591 HG2 LYS 82 HG2 LYS 82 5.491 7.559 10.984 592 HG3 LYS 82 HG3 LYS 82 6.064 7.253 12.624 593 HD2 LYS 82 HD2 LYS 82 8.361 7.828 11.852 594 HD3 LYS 82 HD3 LYS 82 7.680 8.277 10.288 595 HE2 LYS 82 HE2 LYS 82 8.016 10.240 11.691 596 HE3 LYS 82 HE3 LYS 82 6.302 9.975 11.377 597 HZ1 LYS 82 HZ1 LYS 82 6.798 10.555 13.701 598 HZ2 LYS 82 HZ2 LYS 82 7.700 9.131 13.857 599 HZ3 LYS 82 HZ3 LYS 82 6.034 9.050 13.550 600 H GLN 83 H GLN 83 7.984 2.932 10.933 601 HA GLN 83 HA GLN 83 7.738 0.819 11.691 602 HB2 GLN 83 HB2 GLN 83 8.382 2.025 14.384 603 HB3 GLN 83 HB3 GLN 83 8.194 0.302 14.096 604 HG2 GLN 83 HG2 GLN 83 10.227 2.051 12.735 605 HG3 GLN 83 HG3 GLN 83 10.538 1.041 14.149 606 HE21 GLN 83 HE21 GLN 83 9.874 1.072 10.752 607 HE22 GLN 83 HE22 GLN 83 10.294 -0.582 10.457 608 H ASP 84 H ASP 84 5.511 2.949 11.884 609 HA ASP 84 HA ASP 84 3.601 1.271 13.320 610 HB2 ASP 84 HB2 ASP 84 4.454 3.194 14.771 611 HB3 ASP 84 HB3 ASP 84 3.656 4.278 13.638 612 HA PRO 85 HA PRO 85 1.683 2.072 9.342 613 HB2 PRO 85 HB2 PRO 85 -0.363 0.347 9.612 614 HB3 PRO 85 HB3 PRO 85 1.296 -0.185 9.326 615 HG2 PRO 85 HG2 PRO 85 -0.234 -0.066 11.896 616 HG3 PRO 85 HG3 PRO 85 0.794 -1.369 11.265 617 HD2 PRO 85 HD2 PRO 85 1.657 0.424 13.108 618 HD3 PRO 85 HD3 PRO 85 2.733 -0.321 11.910 619 H THR 86 H THR 86 0.584 3.241 12.263 620 HA THR 86 HA THR 86 -1.655 4.547 10.902 621 HB THR 86 HB THR 86 -2.645 2.790 12.295 622 HG1 THR 86 HG1 THR 86 -3.091 5.494 12.922 623 HG21 THR 86 HG21 THR 86 -2.579 2.907 14.736 624 HG22 THR 86 HG22 THR 86 -1.396 4.212 14.639 625 HG23 THR 86 HG23 THR 86 -0.981 2.602 14.052 626 H ASP 87 H ASP 87 1.259 5.059 12.089 627 HA ASP 87 HA ASP 87 0.686 7.519 13.537 628 HB2 ASP 87 HB2 ASP 87 2.633 5.992 14.148 629 HB3 ASP 87 HB3 ASP 87 3.409 6.527 12.659 630 H ILE 88 H ILE 88 -0.366 8.696 11.991 631 HA ILE 88 HA ILE 88 1.157 10.094 10.058 632 HB ILE 88 HB ILE 88 0.986 7.996 8.816 633 HG12 ILE 88 HG12 ILE 88 -0.213 8.810 6.758 634 HG13 ILE 88 HG13 ILE 88 -0.760 10.191 7.700 635 HG21 ILE 88 HG21 ILE 88 -1.156 7.077 8.071 636 HG22 ILE 88 HG22 ILE 88 -2.000 8.265 9.066 637 HG23 ILE 88 HG23 ILE 88 -0.985 7.039 9.827 638 HD11 ILE 88 HD11 ILE 88 1.546 10.870 8.051 639 HD12 ILE 88 HD12 ILE 88 1.160 10.746 6.333 640 HD13 ILE 88 HD13 ILE 88 2.100 9.477 7.121 641 H LYS 89 H LYS 89 0.168 11.957 9.545 642 HA LYS 89 HA LYS 89 -2.618 12.310 10.411 643 HB2 LYS 89 HB2 LYS 89 -0.970 13.469 11.843 644 HB3 LYS 89 HB3 LYS 89 -0.366 14.334 10.439 645 HG2 LYS 89 HG2 LYS 89 -2.364 15.582 10.232 646 HG3 LYS 89 HG3 LYS 89 -3.220 14.523 11.352 647 HD2 LYS 89 HD2 LYS 89 -0.866 16.234 12.129 648 HD3 LYS 89 HD3 LYS 89 -2.546 16.739 12.303 649 HE2 LYS 89 HE2 LYS 89 -1.262 14.341 13.622 650 HE3 LYS 89 HE3 LYS 89 -1.671 15.865 14.412 651 HZ1 LYS 89 HZ1 LYS 89 -3.398 14.349 14.903 652 HZ2 LYS 89 HZ2 LYS 89 -3.533 13.845 13.294 653 HZ3 LYS 89 HZ3 LYS 89 -4.030 15.402 13.736 654 H TYR 90 H TYR 90 -4.016 13.272 9.013 655 HA TYR 90 HA TYR 90 -2.918 14.097 6.402 656 HB2 TYR 90 HB2 TYR 90 -5.702 12.982 6.810 657 HB3 TYR 90 HB3 TYR 90 -4.885 13.315 5.295 658 HD1 TYR 90 HD2 TYR 90 -2.641 12.000 4.909 659 HD2 TYR 90 HD1 TYR 90 -5.726 10.776 7.565 660 HE1 TYR 90 HE2 TYR 90 -1.812 9.689 4.777 661 HE2 TYR 90 HE1 TYR 90 -4.912 8.460 7.450 662 HH TYR 90 HH TYR 90 -3.627 7.042 6.019 663 H LYS 91 H LYS 91 -3.739 15.872 5.428 664 HA LYS 91 HA LYS 91 -5.852 17.374 6.793 665 HB2 LYS 91 HB2 LYS 91 -4.491 19.414 5.664 666 HB3 LYS 91 HB3 LYS 91 -4.214 18.875 7.308 667 HG2 LYS 91 HG2 LYS 91 -2.068 19.118 6.462 668 HG3 LYS 91 HG3 LYS 91 -2.359 17.391 6.293 669 HD2 LYS 91 HD2 LYS 91 -1.311 18.118 4.280 670 HD3 LYS 91 HD3 LYS 91 -3.009 17.844 3.901 671 HE2 LYS 91 HE2 LYS 91 -2.267 19.898 2.865 672 HE3 LYS 91 HE3 LYS 91 -3.441 20.257 4.127 673 HZ1 LYS 91 HZ1 LYS 91 -0.488 20.541 4.338 674 HZ2 LYS 91 HZ2 LYS 91 -1.583 20.811 5.605 675 HZ3 LYS 91 HZ3 LYS 91 -1.621 21.797 4.230 676 H ASP 92 H ASP 92 -7.488 16.586 5.363 677 HA ASP 92 HA ASP 92 -7.498 17.424 2.666 678 HB2 ASP 92 HB2 ASP 92 -5.736 15.516 2.810 679 HB3 ASP 92 HB3 ASP 92 -7.124 14.455 2.972 680 H ASN 93 H ASN 93 -9.247 15.845 1.479 681 HA ASN 93 HA ASN 93 -11.436 15.348 3.363 682 HB2 ASN 93 HB2 ASN 93 -11.360 15.674 0.362 683 HB3 ASN 93 HB3 ASN 93 -12.785 15.088 1.210 684 HD21 ASN 93 HD21 ASN 93 -10.715 17.813 0.613 685 HD22 ASN 93 HD22 ASN 93 -11.779 19.014 1.268 686 H ASP 94 H ASP 94 -8.922 13.695 1.907 687 HA ASP 94 HA ASP 94 -10.352 11.140 2.154 688 HB2 ASP 94 HB2 ASP 94 -9.930 11.847 -0.306 689 HB3 ASP 94 HB3 ASP 94 -8.242 11.553 0.051 690 H GLY 95 H GLY 95 -7.143 12.727 1.909 691 HA2 GLY 95 HA2 GLY 95 -5.941 11.775 4.100 692 HA3 GLY 95 HA3 GLY 95 -5.892 10.371 3.054 693 H HIS 96 H HIS 96 -5.289 13.836 2.342 694 HA HIS 96 HA HIS 96 -2.691 13.162 1.213 695 HB2 HIS 96 HB2 HIS 96 -4.080 14.943 0.163 696 HB3 HIS 96 HB3 HIS 96 -3.981 15.874 1.641 697 HD1 HIS 96 HD1 HIS 96 -2.211 17.590 1.659 698 HD2 HIS 96 HD2 HIS 96 -1.389 14.550 -1.040 699 HE1 HIS 96 HE1 HIS 96 -0.054 18.251 0.547 700 HE2 HIS 96 HE2 HIS 96 0.500 16.325 -0.974 701 H THR 97 H THR 97 -0.809 13.450 2.203 702 HA THR 97 HA THR 97 -0.898 14.450 4.957 703 HB THR 97 HB THR 97 -0.310 12.164 5.052 704 HG1 THR 97 HG1 THR 97 1.123 12.812 6.445 705 HG21 THR 97 HG21 THR 97 1.572 11.191 3.795 706 HG22 THR 97 HG22 THR 97 1.746 12.711 2.917 707 HG23 THR 97 HG23 THR 97 0.272 11.758 2.748 708 H ASP 98 H ASP 98 0.511 15.947 5.628 709 HA ASP 98 HA ASP 98 1.996 17.393 3.565 710 HB2 ASP 98 HB2 ASP 98 0.344 18.387 5.344 711 HB3 ASP 98 HB3 ASP 98 1.721 18.259 6.430 712 H ALA 99 H ALA 99 2.499 15.098 5.979 713 HA ALA 99 HA ALA 99 5.030 16.009 6.983 714 HB1 ALA 99 HB1 ALA 99 3.659 13.356 7.356 715 HB2 ALA 99 HB2 ALA 99 3.453 14.778 8.381 716 HB3 ALA 99 HB3 ALA 99 5.020 13.975 8.292 717 H ILE 100 H ILE 100 3.997 13.751 4.481 718 HA ILE 100 HA ILE 100 6.710 12.688 4.200 719 HB ILE 100 HB ILE 100 4.293 11.897 2.530 720 HG12 ILE 100 HG12 ILE 100 5.236 10.672 5.143 721 HG13 ILE 100 HG13 ILE 100 3.770 11.621 4.941 722 HG21 ILE 100 HG21 ILE 100 6.473 11.158 1.683 723 HG22 ILE 100 HG22 ILE 100 5.519 9.785 2.247 724 HG23 ILE 100 HG23 ILE 100 6.833 10.414 3.241 725 HD11 ILE 100 HD11 ILE 100 3.317 9.224 5.042 726 HD12 ILE 100 HD12 ILE 100 4.333 8.972 3.623 727 HD13 ILE 100 HD13 ILE 100 2.844 9.907 3.486 728 H SER 101 H SER 101 5.559 15.441 3.476 729 HA SER 101 HA SER 101 5.950 17.156 2.085 730 HB2 SER 101 HB2 SER 101 8.234 15.463 1.088 731 HB3 SER 101 HB3 SER 101 8.071 17.209 0.883 732 HG SER 101 HG SER 101 7.820 16.985 3.390 733 H GLY 102 H GLY 102 7.083 14.876 -0.316 734 HA2 GLY 102 HA2 GLY 102 5.317 16.163 -2.256 735 HA3 GLY 102 HA3 GLY 102 6.742 15.207 -2.624 736 H ALA 103 H ALA 103 4.439 13.901 -0.384 737 HA ALA 103 HA ALA 103 3.565 11.947 -2.345 738 HB1 ALA 103 HB1 ALA 103 2.424 10.877 -0.456 739 HB2 ALA 103 HB2 ALA 103 2.881 12.225 0.586 740 HB3 ALA 103 HB3 ALA 103 4.123 11.175 -0.098 741 H THR 104 H THR 104 2.287 13.053 -3.765 742 HA THR 104 HA THR 104 0.383 15.024 -2.841 743 HB THR 104 HB THR 104 0.680 14.156 -5.708 744 HG1 THR 104 HG1 THR 104 2.429 15.800 -4.158 745 HG21 THR 104 HG21 THR 104 0.217 16.534 -6.138 746 HG22 THR 104 HG22 THR 104 0.136 16.833 -4.402 747 HG23 THR 104 HG23 THR 104 -1.067 15.801 -5.174 748 H ILE 105 H ILE 105 0.295 11.746 -4.073 749 HA ILE 105 HA ILE 105 -2.540 11.687 -4.526 750 HB ILE 105 HB ILE 105 -0.678 10.205 -5.569 751 HG12 ILE 105 HG12 ILE 105 -3.262 9.926 -5.749 752 HG13 ILE 105 HG13 ILE 105 -2.208 8.646 -6.315 753 HG21 ILE 105 HG21 ILE 105 -0.285 8.033 -4.491 754 HG22 ILE 105 HG22 ILE 105 -1.105 8.629 -3.047 755 HG23 ILE 105 HG23 ILE 105 0.387 9.396 -3.592 756 HD11 ILE 105 HD11 ILE 105 -2.679 7.360 -4.293 757 HD12 ILE 105 HD12 ILE 105 -4.164 7.782 -5.149 758 HD13 ILE 105 HD13 ILE 105 -3.701 8.666 -3.693 759 H LYS 106 H LYS 106 -4.110 10.624 -3.121 760 HA LYS 106 HA LYS 106 -3.734 11.072 -0.382 761 HB2 LYS 106 HB2 LYS 106 -5.836 9.487 -1.842 762 HB3 LYS 106 HB3 LYS 106 -5.879 9.807 -0.117 763 HG2 LYS 106 HG2 LYS 106 -7.209 11.493 -0.828 764 HG3 LYS 106 HG3 LYS 106 -5.654 12.310 -0.941 765 HD2 LYS 106 HD2 LYS 106 -5.586 12.114 -3.263 766 HD3 LYS 106 HD3 LYS 106 -6.802 10.836 -3.289 767 HE2 LYS 106 HE2 LYS 106 -7.695 12.970 -4.108 768 HE3 LYS 106 HE3 LYS 106 -8.522 12.432 -2.649 769 HZ1 LYS 106 HZ1 LYS 106 -7.963 14.838 -2.709 770 HZ2 LYS 106 HZ2 LYS 106 -6.321 14.421 -2.653 771 HZ3 LYS 106 HZ3 LYS 106 -7.340 14.023 -1.359 772 H VAL 107 H VAL 107 -2.755 10.029 1.020 773 HA VAL 107 HA VAL 107 -1.468 7.493 0.458 774 HB VAL 107 HB VAL 107 -1.067 9.716 2.473 775 HG11 VAL 107 HG11 VAL 107 -0.394 7.639 3.568 776 HG12 VAL 107 HG12 VAL 107 0.982 8.686 3.213 777 HG13 VAL 107 HG13 VAL 107 0.659 7.277 2.202 778 HG21 VAL 107 HG21 VAL 107 1.006 10.072 1.272 779 HG22 VAL 107 HG22 VAL 107 -0.385 10.167 0.190 780 HG23 VAL 107 HG23 VAL 107 0.625 8.717 0.209 781 H LYS 108 H LYS 108 -4.280 8.434 1.946 782 HA LYS 108 HA LYS 108 -4.339 7.152 4.421 783 HB2 LYS 108 HB2 LYS 108 -6.006 8.824 3.407 784 HB3 LYS 108 HB3 LYS 108 -6.759 7.433 2.643 785 HG2 LYS 108 HG2 LYS 108 -6.316 7.305 5.573 786 HG3 LYS 108 HG3 LYS 108 -7.561 8.401 4.982 787 HD2 LYS 108 HD2 LYS 108 -8.744 6.605 3.935 788 HD3 LYS 108 HD3 LYS 108 -7.418 5.480 4.241 789 HE2 LYS 108 HE2 LYS 108 -7.784 5.656 6.630 790 HE3 LYS 108 HE3 LYS 108 -9.050 6.856 6.368 791 HZ1 LYS 108 HZ1 LYS 108 -9.891 4.592 6.783 792 HZ2 LYS 108 HZ2 LYS 108 -9.160 4.069 5.347 793 HZ3 LYS 108 HZ3 LYS 108 -10.399 5.229 5.298 794 H LYS 109 H LYS 109 -5.003 5.874 1.203 795 HA LYS 109 HA LYS 109 -6.087 3.384 1.921 796 HB2 LYS 109 HB2 LYS 109 -6.093 4.516 -0.334 797 HB3 LYS 109 HB3 LYS 109 -4.420 4.008 -0.513 798 HG2 LYS 109 HG2 LYS 109 -5.240 2.189 -1.494 799 HG3 LYS 109 HG3 LYS 109 -5.698 1.669 0.127 800 HD2 LYS 109 HD2 LYS 109 -7.597 1.471 -1.350 801 HD3 LYS 109 HD3 LYS 109 -7.897 2.752 -0.176 802 HE2 LYS 109 HE2 LYS 109 -8.604 3.329 -2.489 803 HE3 LYS 109 HE3 LYS 109 -7.426 4.450 -1.814 804 HZ1 LYS 109 HZ1 LYS 109 -6.794 2.232 -3.701 805 HZ2 LYS 109 HZ2 LYS 109 -5.701 3.374 -3.102 806 HZ3 LYS 109 HZ3 LYS 109 -6.946 3.867 -4.130 807 H PHE 110 H PHE 110 -2.713 4.402 1.461 808 HA PHE 110 HA PHE 110 -1.518 1.847 1.522 809 HB2 PHE 110 HB2 PHE 110 -0.233 3.697 0.670 810 HB3 PHE 110 HB3 PHE 110 -0.422 4.595 2.171 811 HD1 PHE 110 HD1 PHE 110 1.143 1.514 0.773 812 HD2 PHE 110 HD2 PHE 110 1.159 4.472 3.823 813 HE1 PHE 110 HE1 PHE 110 3.248 0.585 1.660 814 HE2 PHE 110 HE2 PHE 110 3.253 3.552 4.717 815 HZ PHE 110 HZ PHE 110 4.293 1.605 3.653 816 H PHE 111 H PHE 111 -1.948 4.259 4.112 817 HA PHE 111 HA PHE 111 -0.783 2.561 6.086 818 HB2 PHE 111 HB2 PHE 111 -2.216 5.188 6.205 819 HB3 PHE 111 HB3 PHE 111 -1.829 4.308 7.683 820 HD1 PHE 111 HD1 PHE 111 0.507 3.888 8.297 821 HD2 PHE 111 HD2 PHE 111 -0.514 6.288 4.943 822 HE1 PHE 111 HE1 PHE 111 2.784 4.802 8.264 823 HE2 PHE 111 HE2 PHE 111 1.768 7.197 4.905 824 HZ PHE 111 HZ PHE 111 3.415 6.458 6.567 825 H ASP 112 H ASP 112 -4.025 3.094 4.957 826 HA ASP 112 HA ASP 112 -5.542 1.961 7.037 827 HB2 ASP 112 HB2 ASP 112 -6.174 3.104 4.705 828 HB3 ASP 112 HB3 ASP 112 -6.287 1.433 4.207 829 H LEU 113 H LEU 113 -4.140 0.561 4.132 830 HA LEU 113 HA LEU 113 -5.088 -2.075 4.704 831 HB2 LEU 113 HB2 LEU 113 -3.637 -0.735 2.509 832 HB3 LEU 113 HB3 LEU 113 -3.373 -2.447 2.686 833 HG LEU 113 HG LEU 113 -5.089 -2.240 1.094 834 HD11 LEU 113 HD11 LEU 113 -7.021 -3.257 2.180 835 HD12 LEU 113 HD12 LEU 113 -6.367 -2.812 3.757 836 HD13 LEU 113 HD13 LEU 113 -5.504 -3.963 2.734 837 HD21 LEU 113 HD21 LEU 113 -6.493 -0.352 2.978 838 HD22 LEU 113 HD22 LEU 113 -7.138 -0.950 1.449 839 HD23 LEU 113 HD23 LEU 113 -5.704 0.078 1.459 840 H ALA 114 H ALA 114 -2.132 -0.331 5.265 841 HA ALA 114 HA ALA 114 -0.517 -2.524 5.994 842 HB1 ALA 114 HB1 ALA 114 0.853 -0.896 7.165 843 HB2 ALA 114 HB2 ALA 114 -0.439 0.299 7.042 844 HB3 ALA 114 HB3 ALA 114 0.365 -0.281 5.584 845 H GLN 115 H GLN 115 -2.868 -0.594 7.829 846 HA GLN 115 HA GLN 115 -2.437 -1.849 10.360 847 HB2 GLN 115 HB2 GLN 115 -4.879 -0.430 9.279 848 HB3 GLN 115 HB3 GLN 115 -4.646 -0.888 10.959 849 HG2 GLN 115 HG2 GLN 115 -2.948 0.684 11.271 850 HG3 GLN 115 HG3 GLN 115 -2.721 0.909 9.535 851 HE21 GLN 115 HE21 GLN 115 -3.017 3.092 9.579 852 HE22 GLN 115 HE22 GLN 115 -4.542 3.842 9.914 853 H LYS 116 H LYS 116 -4.468 -2.534 7.590 854 HA LYS 116 HA LYS 116 -6.001 -4.613 8.803 855 HB2 LYS 116 HB2 LYS 116 -5.611 -3.815 5.915 856 HB3 LYS 116 HB3 LYS 116 -6.713 -5.085 6.438 857 HG2 LYS 116 HG2 LYS 116 -7.970 -3.482 7.761 858 HG3 LYS 116 HG3 LYS 116 -6.851 -2.200 7.303 859 HD2 LYS 116 HD2 LYS 116 -8.797 -1.975 5.946 860 HD3 LYS 116 HD3 LYS 116 -7.509 -2.601 4.916 861 HE2 LYS 116 HE2 LYS 116 -8.426 -4.838 5.074 862 HE3 LYS 116 HE3 LYS 116 -9.658 -4.282 6.208 863 HZ1 LYS 116 HZ1 LYS 116 -10.580 -2.881 4.483 864 HZ2 LYS 116 HZ2 LYS 116 -10.531 -4.487 3.957 865 HZ3 LYS 116 HZ3 LYS 116 -9.384 -3.377 3.394 866 H ALA 117 H ALA 117 -2.925 -4.470 7.189 867 HA ALA 117 HA ALA 117 -2.645 -7.259 6.701 868 HB1 ALA 117 HB1 ALA 117 -0.291 -6.765 6.329 869 HB2 ALA 117 HB2 ALA 117 -0.509 -5.159 7.025 870 HB3 ALA 117 HB3 ALA 117 -1.316 -5.581 5.515 871 H LEU 118 H LEU 118 -1.692 -5.135 9.371 872 HA LEU 118 HA LEU 118 -0.406 -7.398 10.718 873 HB2 LEU 118 HB2 LEU 118 -0.390 -4.441 11.303 874 HB3 LEU 118 HB3 LEU 118 0.502 -5.645 12.213 875 HG LEU 118 HG LEU 118 1.022 -5.666 9.323 876 HD11 LEU 118 HD11 LEU 118 0.729 -3.294 9.679 877 HD12 LEU 118 HD12 LEU 118 2.435 -3.681 9.417 878 HD13 LEU 118 HD13 LEU 118 1.845 -3.342 11.046 879 HD21 LEU 118 HD21 LEU 118 2.261 -7.040 10.904 880 HD22 LEU 118 HD22 LEU 118 2.763 -5.595 11.782 881 HD23 LEU 118 HD23 LEU 118 3.322 -5.863 10.129 882 H LYS 119 H LYS 119 -3.436 -6.655 10.600 883 HA LYS 119 HA LYS 119 -4.323 -5.663 13.036 884 HB2 LYS 119 HB2 LYS 119 -6.528 -6.640 12.441 885 HB3 LYS 119 HB3 LYS 119 -5.779 -5.691 11.167 886 HG2 LYS 119 HG2 LYS 119 -5.283 -7.597 9.885 887 HG3 LYS 119 HG3 LYS 119 -5.571 -8.688 11.239 888 HD2 LYS 119 HD2 LYS 119 -7.406 -8.806 9.669 889 HD3 LYS 119 HD3 LYS 119 -7.957 -8.092 11.184 890 HE2 LYS 119 HE2 LYS 119 -7.673 -5.843 10.147 891 HE3 LYS 119 HE3 LYS 119 -7.299 -6.647 8.622 892 HZ1 LYS 119 HZ1 LYS 119 -9.619 -5.980 8.755 893 HZ2 LYS 119 HZ2 LYS 119 -9.830 -6.933 10.141 894 HZ3 LYS 119 HZ3 LYS 119 -9.475 -7.666 8.657 895 H ASP 120 H ASP 120 -4.153 -9.126 12.138 896 HA ASP 120 HA ASP 120 -4.560 -9.830 14.956 897 HB2 ASP 120 HB2 ASP 120 -4.418 -11.622 12.522 898 HB3 ASP 120 HB3 ASP 120 -4.808 -12.139 14.157 899 H ALA 121 H ALA 121 -2.154 -9.192 12.834 900 HA ALA 121 HA ALA 121 -0.009 -9.690 12.439 901 HB1 ALA 121 HB1 ALA 121 1.436 -10.029 14.330 902 HB2 ALA 121 HB2 ALA 121 0.057 -10.471 15.339 903 HB3 ALA 121 HB3 ALA 121 0.202 -8.829 14.710 904 H GLU 122 H GLU 122 -1.844 -11.734 11.790 905 HA GLU 122 HA GLU 122 -0.163 -14.137 12.076 906 HB2 GLU 122 HB2 GLU 122 -2.194 -15.452 11.632 907 HB3 GLU 122 HB3 GLU 122 -2.377 -14.440 13.057 908 HG2 GLU 122 HG2 GLU 122 -3.749 -12.897 11.882 909 HG3 GLU 122 HG3 GLU 122 -3.403 -13.674 10.338 910 H LYS 123 H LYS 123 -1.011 -11.749 9.915 911 HA LYS 123 HA LYS 123 -1.587 -13.273 7.578 912 HB2 LYS 123 HB2 LYS 123 -1.019 -10.393 8.126 913 HB3 LYS 123 HB3 LYS 123 -0.889 -10.968 6.476 914 HG2 LYS 123 HG2 LYS 123 -3.037 -10.036 6.717 915 HG3 LYS 123 HG3 LYS 123 -3.256 -11.780 6.670 916 HD2 LYS 123 HD2 LYS 123 -3.583 -11.843 9.067 917 HD3 LYS 123 HD3 LYS 123 -3.201 -10.124 9.200 918 HE2 LYS 123 HE2 LYS 123 -5.627 -10.606 9.291 919 HE3 LYS 123 HE3 LYS 123 -5.172 -9.527 7.977 920 HZ1 LYS 123 HZ1 LYS 123 -6.797 -11.264 7.351 921 HZ2 LYS 123 HZ2 LYS 123 -5.611 -12.444 7.644 922 HZ3 LYS 123 HZ3 LYS 123 -5.382 -11.296 6.419 923 H LEU 124 H LEU 124 -0.195 -14.486 6.547 924 HA LEU 124 HA LEU 124 2.381 -13.378 5.804 925 HB2 LEU 124 HB2 LEU 124 2.373 -14.930 8.017 926 HB3 LEU 124 HB3 LEU 124 2.495 -16.180 6.798 927 HG LEU 124 HG LEU 124 4.435 -13.865 6.909 928 HD11 LEU 124 HD11 LEU 124 5.954 -15.390 8.106 929 HD12 LEU 124 HD12 LEU 124 4.634 -16.547 8.279 930 HD13 LEU 124 HD13 LEU 124 4.531 -14.966 9.058 931 HD21 LEU 124 HD21 LEU 124 5.895 -15.376 5.682 932 HD22 LEU 124 HD22 LEU 124 4.376 -15.145 4.815 933 HD23 LEU 124 HD23 LEU 124 4.656 -16.633 5.721 934 H GLU 125 H GLU 125 2.371 -13.571 3.682 935 HA GLU 125 HA GLU 125 1.664 -16.151 2.521 936 HB2 GLU 125 HB2 GLU 125 -0.235 -14.225 2.475 937 HB3 GLU 125 HB3 GLU 125 0.638 -13.811 1.009 938 HG2 GLU 125 HG2 GLU 125 -0.676 -16.443 1.651 939 HG3 GLU 125 HG3 GLU 125 -1.221 -15.244 0.482 940 H HIS 126 H HIS 126 2.270 -12.964 1.027 941 HA HIS 126 HA HIS 126 4.368 -14.180 -0.593 942 HB2 HIS 126 HB2 HIS 126 3.079 -11.442 -0.688 943 HB3 HIS 126 HB3 HIS 126 4.390 -11.932 -1.746 944 HD1 HIS 126 HD1 HIS 126 0.969 -11.440 -1.923 945 HD2 HIS 126 HD2 HIS 126 3.439 -14.570 -3.096 946 HE1 HIS 126 HE1 HIS 126 -0.326 -12.695 -3.677 947 HE2 HIS 126 HE2 HIS 126 1.155 -14.633 -4.318 948 H HIS 127 H HIS 127 6.432 -14.107 0.077 949 HA HIS 127 HA HIS 127 7.282 -11.953 1.868 950 HB2 HIS 127 HB2 HIS 127 7.907 -14.369 2.350 951 HB3 HIS 127 HB3 HIS 127 8.920 -14.327 0.918 952 HD1 HIS 127 HD1 HIS 127 9.244 -14.112 4.413 953 HD2 HIS 127 HD2 HIS 127 10.857 -11.899 1.284 954 HE1 HIS 127 HE1 HIS 127 11.277 -12.975 5.361 955 HE2 HIS 127 HE2 HIS 127 12.002 -11.394 3.538 956 H HIS 128 H HIS 128 7.811 -10.133 0.828 957 HA HIS 128 HA HIS 128 9.766 -10.405 -1.331 958 HB2 HIS 128 HB2 HIS 128 7.377 -9.753 -2.131 959 HB3 HIS 128 HB3 HIS 128 7.741 -8.180 -1.423 960 HD1 HIS 128 HD1 HIS 128 9.547 -6.745 -2.573 961 HD2 HIS 128 HD2 HIS 128 8.779 -10.356 -4.485 962 HE1 HIS 128 HE1 HIS 128 10.737 -6.597 -4.783 963 HE2 HIS 128 HE2 HIS 128 10.362 -8.831 -5.871 964 H HIS 129 H HIS 129 11.358 -8.962 -1.371 965 HA HIS 129 HA HIS 129 11.519 -6.935 0.744 966 HB2 HIS 129 HB2 HIS 129 12.689 -8.878 1.616 967 HB3 HIS 129 HB3 HIS 129 13.536 -9.107 0.094 968 HD1 HIS 129 HD1 HIS 129 13.498 -6.887 3.136 969 HD2 HIS 129 HD2 HIS 129 15.912 -7.745 -0.138 970 HE1 HIS 129 HE1 HIS 129 15.653 -5.648 3.540 971 HE2 HIS 129 HE2 HIS 129 17.179 -6.428 1.698 972 H HIS 130 H HIS 130 12.213 -5.008 -0.052 973 HA HIS 130 HA HIS 130 14.360 -5.156 -2.022 974 HB2 HIS 130 HB2 HIS 130 13.583 -3.276 -3.338 975 HB3 HIS 130 HB3 HIS 130 12.376 -4.543 -3.341 976 HD1 HIS 130 HD1 HIS 130 10.049 -3.766 -2.984 977 HD2 HIS 130 HD2 HIS 130 12.816 -1.045 -1.511 978 HE1 HIS 130 HE1 HIS 130 8.728 -1.711 -2.402 979 HE2 HIS 130 HE2 HIS 130 10.393 -0.136 -1.375 980 H HIS 131 H HIS 131 15.697 -3.159 -2.070 981 HA HIS 131 HA HIS 131 15.925 -2.056 0.636 982 HB2 HIS 131 HB2 HIS 131 17.826 -2.532 -1.577 983 HB3 HIS 131 HB3 HIS 131 18.088 -1.055 -0.657 984 HD1 HIS 131 HD1 HIS 131 19.075 -4.464 -0.691 985 HD2 HIS 131 HD2 HIS 131 18.138 -1.724 2.287 986 HE1 HIS 131 HE1 HIS 131 20.148 -5.351 1.403 987 HE2 HIS 131 HE2 HIS 131 19.794 -3.534 3.112 Start of MODEL 4 1 H1 MET 1 H1 MET 1 3.400 -8.001 17.627 2 H2 MET 1 H2 MET 1 2.550 -7.015 16.547 3 H3 MET 1 H3 MET 1 4.234 -6.891 16.662 4 HA MET 1 HA MET 1 2.770 -9.284 15.768 5 HB2 MET 1 HB2 MET 1 3.719 -8.767 13.510 6 HB3 MET 1 HB3 MET 1 2.480 -7.651 14.054 7 HG2 MET 1 HG2 MET 1 5.364 -6.995 14.455 8 HG3 MET 1 HG3 MET 1 4.607 -6.762 12.881 9 HE1 MET 1 HE1 MET 1 5.248 -4.233 12.966 10 HE2 MET 1 HE2 MET 1 5.985 -4.448 14.552 11 HE3 MET 1 HE3 MET 1 4.828 -3.143 14.290 12 H LYS 2 H LYS 2 4.206 -10.712 14.535 13 HA LYS 2 HA LYS 2 6.782 -10.994 15.934 14 HB2 LYS 2 HB2 LYS 2 4.981 -13.094 14.676 15 HB3 LYS 2 HB3 LYS 2 6.508 -13.416 15.492 16 HG2 LYS 2 HG2 LYS 2 5.638 -12.748 17.587 17 HG3 LYS 2 HG3 LYS 2 4.191 -12.072 16.844 18 HD2 LYS 2 HD2 LYS 2 3.510 -14.335 16.159 19 HD3 LYS 2 HD3 LYS 2 4.942 -14.990 16.962 20 HE2 LYS 2 HE2 LYS 2 4.162 -14.052 19.090 21 HE3 LYS 2 HE3 LYS 2 2.727 -13.427 18.280 22 HZ1 LYS 2 HZ1 LYS 2 3.464 -16.287 18.578 23 HZ2 LYS 2 HZ2 LYS 2 2.103 -15.710 17.744 24 HZ3 LYS 2 HZ3 LYS 2 2.235 -15.473 19.414 25 H ASP 3 H ASP 3 8.145 -12.660 14.265 26 HA ASP 3 HA ASP 3 8.548 -11.072 11.923 27 HB2 ASP 3 HB2 ASP 3 10.321 -12.612 11.343 28 HB3 ASP 3 HB3 ASP 3 10.434 -12.213 13.045 29 H GLY 4 H GLY 4 7.771 -11.329 9.955 30 HA2 GLY 4 HA2 GLY 4 7.054 -13.563 8.563 31 HA3 GLY 4 HA3 GLY 4 5.611 -13.162 9.489 32 H THR 5 H THR 5 4.985 -12.998 7.047 33 HA THR 5 HA THR 5 5.395 -10.192 6.260 34 HB THR 5 HB THR 5 4.548 -12.203 4.216 35 HG1 THR 5 HG1 THR 5 6.327 -13.283 4.625 36 HG21 THR 5 HG21 THR 5 6.322 -9.761 4.174 37 HG22 THR 5 HG22 THR 5 4.644 -9.839 3.632 38 HG23 THR 5 HG23 THR 5 5.896 -10.736 2.770 39 H TYR 6 H TYR 6 3.646 -8.991 6.220 40 HA TYR 6 HA TYR 6 1.045 -10.326 6.619 41 HB2 TYR 6 HB2 TYR 6 2.018 -7.689 7.779 42 HB3 TYR 6 HB3 TYR 6 0.474 -8.465 8.117 43 HD1 TYR 6 HD1 TYR 6 0.368 -10.434 9.523 44 HD2 TYR 6 HD2 TYR 6 4.061 -8.463 8.834 45 HE1 TYR 6 HE1 TYR 6 1.375 -11.669 11.373 46 HE2 TYR 6 HE2 TYR 6 5.077 -9.706 10.697 47 HH TYR 6 HH TYR 6 3.680 -12.419 12.033 48 H TYR 7 H TYR 7 -0.033 -10.045 4.686 49 HA TYR 7 HA TYR 7 0.087 -7.324 3.590 50 HB2 TYR 7 HB2 TYR 7 0.232 -8.106 1.459 51 HB3 TYR 7 HB3 TYR 7 0.829 -9.561 2.233 52 HD1 TYR 7 HD2 TYR 7 -0.696 -11.526 2.495 53 HD2 TYR 7 HD1 TYR 7 -1.821 -8.077 0.268 54 HE1 TYR 7 HE2 TYR 7 -2.512 -12.796 1.440 55 HE2 TYR 7 HE1 TYR 7 -3.640 -9.338 -0.788 56 HH TYR 7 HH TYR 7 -4.387 -11.503 -1.190 57 H ALA 8 H ALA 8 -1.855 -6.397 2.821 58 HA ALA 8 HA ALA 8 -4.318 -7.879 3.330 59 HB1 ALA 8 HB1 ALA 8 -5.394 -5.946 4.332 60 HB2 ALA 8 HB2 ALA 8 -3.880 -5.046 4.250 61 HB3 ALA 8 HB3 ALA 8 -4.013 -6.461 5.297 62 H GLU 9 H GLU 9 -5.899 -7.446 1.926 63 HA GLU 9 HA GLU 9 -5.274 -5.569 -0.243 64 HB2 GLU 9 HB2 GLU 9 -6.688 -7.028 -1.669 65 HB3 GLU 9 HB3 GLU 9 -5.263 -7.845 -1.045 66 HG2 GLU 9 HG2 GLU 9 -6.649 -8.924 0.659 67 HG3 GLU 9 HG3 GLU 9 -8.066 -8.113 -0.004 68 H ALA 10 H ALA 10 -6.932 -4.302 -1.054 69 HA ALA 10 HA ALA 10 -8.731 -3.223 0.800 70 HB1 ALA 10 HB1 ALA 10 -7.805 -1.974 -1.069 71 HB2 ALA 10 HB2 ALA 10 -9.568 -1.908 -1.078 72 HB3 ALA 10 HB3 ALA 10 -8.717 -2.970 -2.204 73 H ASP 11 H ASP 11 -11.016 -3.279 0.909 74 HA ASP 11 HA ASP 11 -12.232 -5.810 0.627 75 HB2 ASP 11 HB2 ASP 11 -13.681 -3.166 0.877 76 HB3 ASP 11 HB3 ASP 11 -14.295 -4.753 1.317 77 H ASP 12 H ASP 12 -12.837 -2.788 -1.096 78 HA ASP 12 HA ASP 12 -13.908 -4.288 -3.363 79 HB2 ASP 12 HB2 ASP 12 -14.823 -2.078 -4.093 80 HB3 ASP 12 HB3 ASP 12 -15.449 -2.610 -2.538 81 H PHE 13 H PHE 13 -13.496 -2.559 -5.393 82 HA PHE 13 HA PHE 13 -10.566 -2.416 -5.596 83 HB2 PHE 13 HB2 PHE 13 -12.678 -2.654 -7.758 84 HB3 PHE 13 HB3 PHE 13 -10.971 -2.397 -8.080 85 HD1 PHE 13 HD2 PHE 13 -13.423 -4.808 -6.700 86 HD2 PHE 13 HD1 PHE 13 -9.448 -4.186 -8.083 87 HE1 PHE 13 HE2 PHE 13 -13.052 -7.237 -6.718 88 HE2 PHE 13 HE1 PHE 13 -9.072 -6.617 -8.108 89 HZ PHE 13 HZ PHE 13 -10.871 -8.142 -7.422 90 H ASP 14 H ASP 14 -9.650 -0.536 -6.533 91 HA ASP 14 HA ASP 14 -10.984 1.898 -5.834 92 HB2 ASP 14 HB2 ASP 14 -8.437 1.300 -5.799 93 HB3 ASP 14 HB3 ASP 14 -8.474 1.800 -7.487 94 H GLU 15 H GLU 15 -10.522 3.775 -7.682 95 HA GLU 15 HA GLU 15 -12.731 3.356 -9.428 96 HB2 GLU 15 HB2 GLU 15 -10.792 5.664 -9.210 97 HB3 GLU 15 HB3 GLU 15 -12.249 5.677 -10.194 98 HG2 GLU 15 HG2 GLU 15 -12.075 5.470 -7.198 99 HG3 GLU 15 HG3 GLU 15 -12.694 6.823 -8.144 100 H SER 16 H SER 16 -9.306 3.059 -9.874 101 HA SER 16 HA SER 16 -9.661 2.854 -12.770 102 HB2 SER 16 HB2 SER 16 -7.171 2.885 -11.065 103 HB3 SER 16 HB3 SER 16 -7.174 2.718 -12.821 104 HG SER 16 HG SER 16 -7.421 4.943 -11.305 105 H GLY 17 H GLY 17 -10.218 0.827 -10.334 106 HA2 GLY 17 HA2 GLY 17 -10.797 -1.401 -10.506 107 HA3 GLY 17 HA3 GLY 17 -10.066 -1.436 -12.102 108 H TRP 18 H TRP 18 -8.750 -0.778 -8.848 109 HA TRP 18 HA TRP 18 -7.014 -3.118 -9.134 110 HB2 TRP 18 HB2 TRP 18 -6.085 -0.309 -8.544 111 HB3 TRP 18 HB3 TRP 18 -5.121 -1.720 -8.133 112 HD1 TRP 18 HD1 TRP 18 -6.226 0.395 -11.115 113 HE1 TRP 18 HE1 TRP 18 -4.846 -0.283 -13.180 114 HE3 TRP 18 HE3 TRP 18 -3.855 -3.706 -9.215 115 HZ2 TRP 18 HZ2 TRP 18 -2.986 -2.269 -13.896 116 HZ3 TRP 18 HZ3 TRP 18 -2.290 -4.928 -10.652 117 HH2 TRP 18 HH2 TRP 18 -1.868 -4.227 -12.939 118 H LYS 19 H LYS 19 -6.890 -4.309 -7.358 119 HA LYS 19 HA LYS 19 -8.111 -3.345 -4.887 120 HB2 LYS 19 HB2 LYS 19 -8.582 -5.654 -5.839 121 HB3 LYS 19 HB3 LYS 19 -6.922 -6.074 -5.429 122 HG2 LYS 19 HG2 LYS 19 -7.429 -5.478 -3.068 123 HG3 LYS 19 HG3 LYS 19 -9.124 -5.319 -3.539 124 HD2 LYS 19 HD2 LYS 19 -7.543 -7.800 -4.114 125 HD3 LYS 19 HD3 LYS 19 -8.349 -7.558 -2.567 126 HE2 LYS 19 HE2 LYS 19 -10.488 -7.364 -3.693 127 HE3 LYS 19 HE3 LYS 19 -9.694 -7.519 -5.261 128 HZ1 LYS 19 HZ1 LYS 19 -10.678 -9.612 -4.481 129 HZ2 LYS 19 HZ2 LYS 19 -9.649 -9.586 -3.131 130 HZ3 LYS 19 HZ3 LYS 19 -9.001 -9.732 -4.688 131 H ASP 20 H ASP 20 -6.827 -2.176 -3.686 132 HA ASP 20 HA ASP 20 -4.026 -2.046 -4.034 133 HB2 ASP 20 HB2 ASP 20 -5.685 -0.944 -1.754 134 HB3 ASP 20 HB3 ASP 20 -4.129 -0.348 -2.314 135 H THR 21 H THR 21 -2.425 -3.208 -3.066 136 HA THR 21 HA THR 21 -3.111 -4.570 -0.542 137 HB THR 21 HB THR 21 -1.698 -6.469 -1.123 138 HG1 THR 21 HG1 THR 21 -0.667 -4.859 -2.938 139 HG21 THR 21 HG21 THR 21 -3.660 -5.868 -3.333 140 HG22 THR 21 HG22 THR 21 -4.027 -6.639 -1.789 141 HG23 THR 21 HG23 THR 21 -2.987 -7.456 -2.958 142 H VAL 22 H VAL 22 -1.736 -4.306 1.096 143 HA VAL 22 HA VAL 22 0.869 -3.062 0.522 144 HB VAL 22 HB VAL 22 -0.875 -2.538 2.952 145 HG11 VAL 22 HG11 VAL 22 1.829 -1.407 2.232 146 HG12 VAL 22 HG12 VAL 22 1.505 -2.555 3.530 147 HG13 VAL 22 HG13 VAL 22 0.841 -0.922 3.610 148 HG21 VAL 22 HG21 VAL 22 -0.032 -0.704 0.706 149 HG22 VAL 22 HG22 VAL 22 -0.983 -0.239 2.118 150 HG23 VAL 22 HG23 VAL 22 -1.648 -1.372 0.939 151 H THR 23 H THR 23 2.408 -4.433 0.829 152 HA THR 23 HA THR 23 2.003 -6.720 2.603 153 HB THR 23 HB THR 23 4.308 -6.335 0.690 154 HG1 THR 23 HG1 THR 23 3.033 -6.738 -0.958 155 HG21 THR 23 HG21 THR 23 4.431 -8.163 2.320 156 HG22 THR 23 HG22 THR 23 4.297 -8.772 0.667 157 HG23 THR 23 HG23 THR 23 2.889 -8.783 1.730 158 H ILE 24 H ILE 24 2.705 -6.399 4.595 159 HA ILE 24 HA ILE 24 4.915 -4.566 5.145 160 HB ILE 24 HB ILE 24 3.068 -6.013 7.070 161 HG12 ILE 24 HG12 ILE 24 1.882 -4.440 5.553 162 HG13 ILE 24 HG13 ILE 24 1.784 -3.987 7.254 163 HG21 ILE 24 HG21 ILE 24 3.829 -4.365 8.718 164 HG22 ILE 24 HG22 ILE 24 4.961 -3.708 7.535 165 HG23 ILE 24 HG23 ILE 24 5.155 -5.362 8.118 166 HD11 ILE 24 HD11 ILE 24 3.495 -2.275 6.889 167 HD12 ILE 24 HD12 ILE 24 2.109 -2.047 5.821 168 HD13 ILE 24 HD13 ILE 24 3.601 -2.747 5.192 169 H GLU 25 H GLU 25 6.913 -5.451 5.207 170 HA GLU 25 HA GLU 25 7.130 -8.251 6.000 171 HB2 GLU 25 HB2 GLU 25 8.332 -7.713 3.964 172 HB3 GLU 25 HB3 GLU 25 9.192 -6.410 4.782 173 HG2 GLU 25 HG2 GLU 25 10.318 -7.965 6.205 174 HG3 GLU 25 HG3 GLU 25 9.376 -9.308 5.563 175 H VAL 26 H VAL 26 7.344 -8.660 7.993 176 HA VAL 26 HA VAL 26 8.847 -6.822 9.729 177 HB VAL 26 HB VAL 26 6.734 -8.862 10.507 178 HG11 VAL 26 HG11 VAL 26 6.780 -7.766 12.700 179 HG12 VAL 26 HG12 VAL 26 8.137 -6.774 12.161 180 HG13 VAL 26 HG13 VAL 26 8.320 -8.526 12.299 181 HG21 VAL 26 HG21 VAL 26 6.564 -5.858 10.365 182 HG22 VAL 26 HG22 VAL 26 5.323 -6.928 11.020 183 HG23 VAL 26 HG23 VAL 26 5.743 -7.008 9.308 184 H LYS 27 H LYS 27 10.546 -7.597 10.852 185 HA LYS 27 HA LYS 27 11.213 -10.434 10.760 186 HB2 LYS 27 HB2 LYS 27 12.134 -9.605 8.694 187 HB3 LYS 27 HB3 LYS 27 12.854 -8.229 9.508 188 HG2 LYS 27 HG2 LYS 27 14.445 -9.667 10.613 189 HG3 LYS 27 HG3 LYS 27 13.656 -11.095 9.932 190 HD2 LYS 27 HD2 LYS 27 14.352 -10.612 7.774 191 HD3 LYS 27 HD3 LYS 27 14.660 -8.917 8.152 192 HE2 LYS 27 HE2 LYS 27 16.248 -11.189 9.320 193 HE3 LYS 27 HE3 LYS 27 16.703 -10.356 7.834 194 HZ1 LYS 27 HZ1 LYS 27 16.368 -9.059 10.489 195 HZ2 LYS 27 HZ2 LYS 27 16.846 -8.287 9.061 196 HZ3 LYS 27 HZ3 LYS 27 17.852 -9.452 9.772 197 H ASN 28 H ASN 28 12.045 -11.029 12.605 198 HA ASN 28 HA ASN 28 12.658 -11.054 14.768 199 HB2 ASN 28 HB2 ASN 28 14.326 -8.670 13.942 200 HB3 ASN 28 HB3 ASN 28 14.420 -9.422 15.530 201 HD21 ASN 28 HD21 ASN 28 15.420 -9.522 12.289 202 HD22 ASN 28 HD22 ASN 28 16.361 -10.975 12.374 203 H GLY 29 H GLY 29 10.203 -9.779 14.194 204 HA2 GLY 29 HA2 GLY 29 8.613 -8.915 15.674 205 HA3 GLY 29 HA3 GLY 29 9.909 -8.258 16.649 206 H LYS 30 H LYS 30 11.010 -6.939 14.071 207 HA LYS 30 HA LYS 30 9.123 -4.672 14.167 208 HB2 LYS 30 HB2 LYS 30 11.060 -3.184 13.882 209 HB3 LYS 30 HB3 LYS 30 11.161 -4.133 15.355 210 HG2 LYS 30 HG2 LYS 30 12.771 -5.621 14.322 211 HG3 LYS 30 HG3 LYS 30 12.625 -4.752 12.794 212 HD2 LYS 30 HD2 LYS 30 14.617 -4.006 13.903 213 HD3 LYS 30 HD3 LYS 30 13.430 -2.704 13.954 214 HE2 LYS 30 HE2 LYS 30 12.847 -3.344 16.254 215 HE3 LYS 30 HE3 LYS 30 14.062 -4.622 16.195 216 HZ1 LYS 30 HZ1 LYS 30 14.910 -2.651 17.299 217 HZ2 LYS 30 HZ2 LYS 30 14.591 -1.714 15.927 218 HZ3 LYS 30 HZ3 LYS 30 15.763 -2.936 15.861 219 H ILE 31 H ILE 31 8.895 -3.354 12.313 220 HA ILE 31 HA ILE 31 8.870 -4.780 9.834 221 HB ILE 31 HB ILE 31 8.441 -1.811 10.284 222 HG12 ILE 31 HG12 ILE 31 6.352 -3.998 10.146 223 HG13 ILE 31 HG13 ILE 31 6.924 -3.275 11.644 224 HG21 ILE 31 HG21 ILE 31 8.848 -2.372 7.950 225 HG22 ILE 31 HG22 ILE 31 7.167 -1.896 8.196 226 HG23 ILE 31 HG23 ILE 31 7.582 -3.600 8.012 227 HD11 ILE 31 HD11 ILE 31 6.049 -1.118 10.966 228 HD12 ILE 31 HD12 ILE 31 4.779 -2.342 10.911 229 HD13 ILE 31 HD13 ILE 31 5.543 -1.793 9.417 230 H VAL 32 H VAL 32 10.639 -5.137 8.632 231 HA VAL 32 HA VAL 32 12.786 -3.141 8.747 232 HB VAL 32 HB VAL 32 14.274 -4.837 7.779 233 HG11 VAL 32 HG11 VAL 32 14.396 -6.303 9.738 234 HG12 VAL 32 HG12 VAL 32 12.782 -5.781 10.225 235 HG13 VAL 32 HG13 VAL 32 14.113 -4.623 10.193 236 HG21 VAL 32 HG21 VAL 32 13.569 -7.176 7.593 237 HG22 VAL 32 HG22 VAL 32 12.662 -6.136 6.494 238 HG23 VAL 32 HG23 VAL 32 11.913 -6.707 7.986 239 H SER 33 H SER 33 10.308 -4.307 6.730 240 HA SER 33 HA SER 33 11.163 -2.643 4.534 241 HB2 SER 33 HB2 SER 33 10.959 -5.649 4.215 242 HB3 SER 33 HB3 SER 33 10.907 -4.524 2.858 243 HG SER 33 HG SER 33 13.019 -4.129 4.568 244 H VAL 34 H VAL 34 9.505 -2.538 2.861 245 HA VAL 34 HA VAL 34 7.003 -3.844 3.369 246 HB VAL 34 HB VAL 34 6.609 -1.923 4.768 247 HG11 VAL 34 HG11 VAL 34 7.353 -0.249 2.408 248 HG12 VAL 34 HG12 VAL 34 8.267 -0.427 3.906 249 HG13 VAL 34 HG13 VAL 34 6.687 0.363 3.924 250 HG21 VAL 34 HG21 VAL 34 4.675 -2.620 3.488 251 HG22 VAL 34 HG22 VAL 34 5.155 -1.583 2.145 252 HG23 VAL 34 HG23 VAL 34 4.666 -0.866 3.680 253 H ASP 35 H ASP 35 6.048 -4.329 1.644 254 HA ASP 35 HA ASP 35 7.169 -3.518 -0.939 255 HB2 ASP 35 HB2 ASP 35 7.482 -5.901 -0.292 256 HB3 ASP 35 HB3 ASP 35 5.734 -6.073 -0.148 257 H TRP 36 H TRP 36 5.754 -3.020 -2.589 258 HA TRP 36 HA TRP 36 2.998 -2.513 -1.743 259 HB2 TRP 36 HB2 TRP 36 3.451 -0.436 -3.444 260 HB3 TRP 36 HB3 TRP 36 3.565 -0.337 -1.694 261 HD1 TRP 36 HD1 TRP 36 5.957 -0.028 -0.640 262 HE1 TRP 36 HE1 TRP 36 8.237 0.648 -1.607 263 HE3 TRP 36 HE3 TRP 36 4.974 -0.667 -5.612 264 HZ2 TRP 36 HZ2 TRP 36 9.448 0.900 -4.118 265 HZ3 TRP 36 HZ3 TRP 36 6.759 -0.174 -7.227 266 HH2 TRP 36 HH2 TRP 36 8.946 0.593 -6.494 267 H ASN 37 H ASN 37 1.412 -2.926 -3.158 268 HA ASN 37 HA ASN 37 1.900 -3.534 -5.935 269 HB2 ASN 37 HB2 ASN 37 2.766 -5.509 -4.527 270 HB3 ASN 37 HB3 ASN 37 1.088 -5.817 -4.118 271 HD21 ASN 37 HD21 ASN 37 1.129 -7.824 -5.046 272 HD22 ASN 37 HD22 ASN 37 1.154 -8.055 -6.757 273 H ALA 38 H ALA 38 -0.262 -4.618 -6.831 274 HA ALA 38 HA ALA 38 -2.645 -4.459 -5.256 275 HB1 ALA 38 HB1 ALA 38 -2.407 -2.507 -7.563 276 HB2 ALA 38 HB2 ALA 38 -2.471 -2.074 -5.855 277 HB3 ALA 38 HB3 ALA 38 -3.865 -2.835 -6.623 278 H ILE 39 H ILE 39 -4.511 -5.318 -6.497 279 HA ILE 39 HA ILE 39 -3.549 -7.172 -8.601 280 HB ILE 39 HB ILE 39 -6.123 -7.524 -7.046 281 HG12 ILE 39 HG12 ILE 39 -3.462 -8.721 -6.231 282 HG13 ILE 39 HG13 ILE 39 -4.138 -7.283 -5.474 283 HG21 ILE 39 HG21 ILE 39 -4.265 -9.476 -8.422 284 HG22 ILE 39 HG22 ILE 39 -5.806 -8.888 -9.050 285 HG23 ILE 39 HG23 ILE 39 -5.769 -9.890 -7.598 286 HD11 ILE 39 HD11 ILE 39 -6.079 -8.573 -4.753 287 HD12 ILE 39 HD12 ILE 39 -4.572 -9.267 -4.146 288 HD13 ILE 39 HD13 ILE 39 -5.402 -10.014 -5.513 289 H ASN 40 H ASN 40 -4.601 -7.261 -10.605 290 HA ASN 40 HA ASN 40 -6.177 -4.954 -11.303 291 HB2 ASN 40 HB2 ASN 40 -4.452 -5.914 -12.812 292 HB3 ASN 40 HB3 ASN 40 -5.444 -7.351 -13.002 293 HD21 ASN 40 HD21 ASN 40 -5.228 -3.925 -13.668 294 HD22 ASN 40 HD22 ASN 40 -6.313 -3.936 -15.017 295 H LYS 41 H LYS 41 -8.307 -4.829 -11.863 296 HA LYS 41 HA LYS 41 -10.035 -6.817 -10.719 297 HB2 LYS 41 HB2 LYS 41 -10.410 -4.356 -10.526 298 HB3 LYS 41 HB3 LYS 41 -10.790 -4.324 -12.242 299 HG2 LYS 41 HG2 LYS 41 -12.653 -5.876 -11.830 300 HG3 LYS 41 HG3 LYS 41 -12.295 -5.811 -10.103 301 HD2 LYS 41 HD2 LYS 41 -12.693 -3.391 -10.133 302 HD3 LYS 41 HD3 LYS 41 -13.091 -3.493 -11.852 303 HE2 LYS 41 HE2 LYS 41 -14.537 -4.959 -9.649 304 HE3 LYS 41 HE3 LYS 41 -15.096 -3.468 -10.406 305 HZ1 LYS 41 HZ1 LYS 41 -16.176 -5.394 -11.369 306 HZ2 LYS 41 HZ2 LYS 41 -14.677 -6.070 -11.787 307 HZ3 LYS 41 HZ3 LYS 41 -15.197 -4.639 -12.526 308 H ASP 42 H ASP 42 -9.211 -5.777 -13.979 309 HA ASP 42 HA ASP 42 -11.501 -6.872 -15.261 310 HB2 ASP 42 HB2 ASP 42 -10.266 -5.025 -16.251 311 HB3 ASP 42 HB3 ASP 42 -8.825 -6.025 -16.396 312 H GLY 43 H GLY 43 -8.195 -8.043 -14.787 313 HA2 GLY 43 HA2 GLY 43 -8.336 -10.588 -14.421 314 HA3 GLY 43 HA3 GLY 43 -8.953 -10.585 -16.064 315 H GLY 44 H GLY 44 -6.380 -8.551 -14.785 316 HA2 GLY 44 HA2 GLY 44 -4.531 -9.801 -16.705 317 HA3 GLY 44 HA3 GLY 44 -4.347 -8.198 -16.001 318 H ASP 45 H ASP 45 -2.415 -8.382 -15.039 319 HA ASP 45 HA ASP 45 -2.086 -10.485 -13.005 320 HB2 ASP 45 HB2 ASP 45 -0.025 -8.731 -14.356 321 HB3 ASP 45 HB3 ASP 45 0.340 -9.904 -13.097 322 H ASP 46 H ASP 46 -0.080 -9.198 -11.530 323 HA ASP 46 HA ASP 46 -1.600 -7.231 -10.027 324 HB2 ASP 46 HB2 ASP 46 1.066 -8.560 -9.571 325 HB3 ASP 46 HB3 ASP 46 0.438 -7.303 -8.510 326 H LYS 47 H LYS 47 -0.146 -5.315 -9.168 327 HA LYS 47 HA LYS 47 0.570 -3.570 -11.221 328 HB2 LYS 47 HB2 LYS 47 1.411 -3.663 -8.332 329 HB3 LYS 47 HB3 LYS 47 1.940 -2.390 -9.414 330 HG2 LYS 47 HG2 LYS 47 -0.937 -3.005 -8.831 331 HG3 LYS 47 HG3 LYS 47 0.020 -1.830 -7.936 332 HD2 LYS 47 HD2 LYS 47 0.444 -0.671 -10.128 333 HD3 LYS 47 HD3 LYS 47 -0.768 -1.751 -10.837 334 HE2 LYS 47 HE2 LYS 47 -2.356 -0.978 -9.056 335 HE3 LYS 47 HE3 LYS 47 -1.160 0.231 -8.600 336 HZ1 LYS 47 HZ1 LYS 47 -2.509 0.012 -11.230 337 HZ2 LYS 47 HZ2 LYS 47 -1.302 1.141 -10.841 338 HZ3 LYS 47 HZ3 LYS 47 -2.798 1.189 -10.043 339 H ASP 48 H ASP 48 2.676 -5.551 -9.174 340 HA ASP 48 HA ASP 48 5.129 -4.793 -10.349 341 HB2 ASP 48 HB2 ASP 48 4.949 -5.777 -8.114 342 HB3 ASP 48 HB3 ASP 48 4.379 -7.287 -8.804 343 H THR 49 H THR 49 2.973 -7.511 -10.964 344 HA THR 49 HA THR 49 4.747 -8.864 -12.721 345 HB THR 49 HB THR 49 1.783 -9.335 -12.620 346 HG1 THR 49 HG1 THR 49 3.737 -9.715 -10.614 347 HG21 THR 49 HG21 THR 49 4.187 -11.157 -12.844 348 HG22 THR 49 HG22 THR 49 3.090 -10.716 -14.153 349 HG23 THR 49 HG23 THR 49 2.502 -11.686 -12.803 350 H LEU 50 H LEU 50 1.967 -6.691 -13.233 351 HA LEU 50 HA LEU 50 1.945 -6.968 -16.073 352 HB2 LEU 50 HB2 LEU 50 0.675 -5.024 -14.189 353 HB3 LEU 50 HB3 LEU 50 0.698 -4.677 -15.905 354 HG LEU 50 HG LEU 50 -0.584 -7.061 -14.573 355 HD11 LEU 50 HD11 LEU 50 -1.736 -4.701 -16.050 356 HD12 LEU 50 HD12 LEU 50 -1.834 -4.997 -14.313 357 HD13 LEU 50 HD13 LEU 50 -2.654 -6.078 -15.439 358 HD21 LEU 50 HD21 LEU 50 -1.390 -7.663 -16.801 359 HD22 LEU 50 HD22 LEU 50 0.372 -7.707 -16.728 360 HD23 LEU 50 HD23 LEU 50 -0.447 -6.349 -17.504 361 H SER 51 H SER 51 3.621 -4.750 -13.885 362 HA SER 51 HA SER 51 4.718 -3.062 -15.852 363 HB2 SER 51 HB2 SER 51 5.850 -3.873 -13.166 364 HB3 SER 51 HB3 SER 51 6.470 -2.558 -14.163 365 HG SER 51 HG SER 51 4.618 -1.432 -13.861 366 H ARG 52 H ARG 52 5.769 -6.204 -14.606 367 HA ARG 52 HA ARG 52 8.293 -6.238 -15.937 368 HB2 ARG 52 HB2 ARG 52 7.688 -7.616 -13.922 369 HB3 ARG 52 HB3 ARG 52 6.683 -8.610 -14.966 370 HG2 ARG 52 HG2 ARG 52 8.742 -9.114 -16.313 371 HG3 ARG 52 HG3 ARG 52 9.680 -8.299 -15.058 372 HD2 ARG 52 HD2 ARG 52 8.794 -9.872 -13.395 373 HD3 ARG 52 HD3 ARG 52 7.882 -10.686 -14.664 374 HE ARG 52 HE ARG 52 10.835 -10.582 -14.632 375 HH11 ARG 52 HH11 ARG 52 7.833 -12.342 -15.169 376 HH12 ARG 52 HH12 ARG 52 8.635 -13.849 -15.510 377 HH21 ARG 52 HH21 ARG 52 11.880 -12.557 -15.072 378 HH22 ARG 52 HH22 ARG 52 10.940 -13.969 -15.458 379 H ASN 53 H ASN 53 5.050 -7.375 -16.778 380 HA ASN 53 HA ASN 53 5.907 -8.697 -19.191 381 HB2 ASN 53 HB2 ASN 53 3.161 -7.999 -18.129 382 HB3 ASN 53 HB3 ASN 53 3.425 -8.841 -19.652 383 HD21 ASN 53 HD21 ASN 53 2.023 -9.754 -17.286 384 HD22 ASN 53 HD22 ASN 53 2.829 -11.195 -16.771 385 H GLY 54 H GLY 54 4.933 -5.504 -18.332 386 HA2 GLY 54 HA2 GLY 54 5.216 -3.581 -19.635 387 HA3 GLY 54 HA3 GLY 54 5.349 -4.588 -21.067 388 H GLY 55 H GLY 55 2.706 -5.659 -19.378 389 HA2 GLY 55 HA2 GLY 55 0.922 -4.117 -21.141 390 HA3 GLY 55 HA3 GLY 55 0.607 -5.745 -20.558 391 H TYR 56 H TYR 56 1.794 -3.092 -18.594 392 HA TYR 56 HA TYR 56 -0.217 -3.349 -16.645 393 HB2 TYR 56 HB2 TYR 56 1.741 -2.444 -15.789 394 HB3 TYR 56 HB3 TYR 56 1.992 -1.394 -17.174 395 HD1 TYR 56 HD2 TYR 56 -0.245 -1.811 -14.190 396 HD2 TYR 56 HD1 TYR 56 1.478 0.843 -17.038 397 HE1 TYR 56 HE2 TYR 56 -1.231 0.105 -13.005 398 HE2 TYR 56 HE1 TYR 56 0.497 2.753 -15.868 399 HH TYR 56 HH TYR 56 -0.722 2.622 -12.806 400 H LYS 57 H LYS 57 -2.251 -2.942 -16.942 401 HA LYS 57 HA LYS 57 -3.037 -0.432 -18.250 402 HB2 LYS 57 HB2 LYS 57 -3.324 -2.430 -19.718 403 HB3 LYS 57 HB3 LYS 57 -4.412 -3.111 -18.520 404 HG2 LYS 57 HG2 LYS 57 -5.956 -1.242 -18.862 405 HG3 LYS 57 HG3 LYS 57 -4.853 -0.560 -20.059 406 HD2 LYS 57 HD2 LYS 57 -6.115 -3.289 -20.272 407 HD3 LYS 57 HD3 LYS 57 -6.760 -1.835 -21.031 408 HE2 LYS 57 HE2 LYS 57 -4.006 -2.969 -21.546 409 HE3 LYS 57 HE3 LYS 57 -5.410 -3.240 -22.575 410 HZ1 LYS 57 HZ1 LYS 57 -5.534 -0.822 -22.915 411 HZ2 LYS 57 HZ2 LYS 57 -4.070 -1.474 -23.470 412 HZ3 LYS 57 HZ3 LYS 57 -4.116 -0.627 -22.004 413 H MET 58 H MET 58 -4.475 0.753 -17.144 414 HA MET 58 HA MET 58 -5.890 -0.455 -14.876 415 HB2 MET 58 HB2 MET 58 -5.893 2.460 -15.726 416 HB3 MET 58 HB3 MET 58 -6.497 1.800 -14.213 417 HG2 MET 58 HG2 MET 58 -4.093 1.025 -13.807 418 HG3 MET 58 HG3 MET 58 -3.656 2.120 -15.113 419 HE1 MET 58 HE1 MET 58 -4.819 5.587 -13.600 420 HE2 MET 58 HE2 MET 58 -5.793 4.508 -14.600 421 HE3 MET 58 HE3 MET 58 -4.097 4.786 -14.999 422 H VAL 59 H VAL 59 -8.275 -0.179 -14.764 423 HA VAL 59 HA VAL 59 -9.433 -0.845 -17.284 424 HB VAL 59 HB VAL 59 -11.527 -1.180 -16.219 425 HG11 VAL 59 HG11 VAL 59 -10.983 -2.630 -14.314 426 HG12 VAL 59 HG12 VAL 59 -9.351 -1.959 -14.287 427 HG13 VAL 59 HG13 VAL 59 -9.904 -2.877 -15.688 428 HG21 VAL 59 HG21 VAL 59 -12.092 -0.506 -13.947 429 HG22 VAL 59 HG22 VAL 59 -11.726 0.899 -14.949 430 HG23 VAL 59 HG23 VAL 59 -10.537 0.309 -13.787 431 H GLU 60 H GLU 60 -9.291 2.063 -15.371 432 HA GLU 60 HA GLU 60 -10.125 3.566 -17.730 433 HB2 GLU 60 HB2 GLU 60 -11.088 3.991 -14.904 434 HB3 GLU 60 HB3 GLU 60 -11.097 5.283 -16.095 435 HG2 GLU 60 HG2 GLU 60 -12.550 3.909 -17.537 436 HG3 GLU 60 HG3 GLU 60 -12.576 2.668 -16.285 437 H TYR 61 H TYR 61 -8.818 5.254 -18.172 438 HA TYR 61 HA TYR 61 -6.430 5.504 -16.530 439 HB2 TYR 61 HB2 TYR 61 -7.117 6.750 -19.194 440 HB3 TYR 61 HB3 TYR 61 -5.549 6.833 -18.405 441 HD1 TYR 61 HD1 TYR 61 -5.244 3.990 -17.507 442 HD2 TYR 61 HD2 TYR 61 -6.680 5.617 -21.168 443 HE1 TYR 61 HE1 TYR 61 -4.541 1.950 -18.685 444 HE2 TYR 61 HE2 TYR 61 -5.984 3.582 -22.353 445 HH TYR 61 HH TYR 61 -4.305 1.763 -22.038 446 H GLY 62 H GLY 62 -9.377 7.124 -17.028 447 HA2 GLY 62 HA2 GLY 62 -8.372 9.632 -15.890 448 HA3 GLY 62 HA3 GLY 62 -9.948 9.396 -16.630 449 H GLY 63 H GLY 63 -8.810 7.012 -14.382 450 HA2 GLY 63 HA2 GLY 63 -10.806 7.876 -12.419 451 HA3 GLY 63 HA3 GLY 63 -10.014 6.306 -12.469 452 H ALA 64 H ALA 64 -9.843 6.954 -10.071 453 HA ALA 64 HA ALA 64 -7.749 8.789 -9.390 454 HB1 ALA 64 HB1 ALA 64 -7.887 7.848 -7.148 455 HB2 ALA 64 HB2 ALA 64 -8.935 6.557 -7.741 456 HB3 ALA 64 HB3 ALA 64 -9.495 8.230 -7.765 457 H GLN 65 H GLN 65 -5.678 8.482 -9.309 458 HA GLN 65 HA GLN 65 -4.627 6.093 -10.525 459 HB2 GLN 65 HB2 GLN 65 -2.464 7.750 -9.764 460 HB3 GLN 65 HB3 GLN 65 -3.132 7.511 -11.366 461 HG2 GLN 65 HG2 GLN 65 -3.037 9.832 -11.035 462 HG3 GLN 65 HG3 GLN 65 -4.730 9.398 -10.870 463 HE21 GLN 65 HE21 GLN 65 -2.448 8.812 -8.297 464 HE22 GLN 65 HE22 GLN 65 -3.008 10.063 -7.250 465 H ALA 66 H ALA 66 -5.283 4.748 -8.718 466 HA ALA 66 HA ALA 66 -3.921 4.817 -6.224 467 HB1 ALA 66 HB1 ALA 66 -5.311 2.508 -7.569 468 HB2 ALA 66 HB2 ALA 66 -6.096 3.701 -6.532 469 HB3 ALA 66 HB3 ALA 66 -4.873 2.618 -5.865 470 H GLU 67 H GLU 67 -1.747 4.896 -6.553 471 HA GLU 67 HA GLU 67 -0.609 2.695 -8.076 472 HB2 GLU 67 HB2 GLU 67 -0.118 5.581 -8.224 473 HB3 GLU 67 HB3 GLU 67 1.319 4.560 -8.270 474 HG2 GLU 67 HG2 GLU 67 -1.089 4.288 -10.044 475 HG3 GLU 67 HG3 GLU 67 0.455 5.014 -10.514 476 H TRP 68 H TRP 68 -0.365 1.420 -6.360 477 HA TRP 68 HA TRP 68 1.826 2.161 -4.586 478 HB2 TRP 68 HB2 TRP 68 0.187 -0.384 -4.511 479 HB3 TRP 68 HB3 TRP 68 1.294 0.200 -3.278 480 HD1 TRP 68 HD1 TRP 68 -2.112 -0.293 -3.480 481 HE1 TRP 68 HE1 TRP 68 -3.540 1.464 -2.274 482 HE3 TRP 68 HE3 TRP 68 1.366 3.452 -3.006 483 HZ2 TRP 68 HZ2 TRP 68 -3.257 4.070 -1.262 484 HZ3 TRP 68 HZ3 TRP 68 0.688 5.549 -1.920 485 HH2 TRP 68 HH2 TRP 68 -1.577 5.853 -1.071 486 H HIS 69 H HIS 69 2.189 1.843 -7.418 487 HA HIS 69 HA HIS 69 4.576 0.241 -7.054 488 HB2 HIS 69 HB2 HIS 69 2.642 -1.097 -8.263 489 HB3 HIS 69 HB3 HIS 69 3.167 -0.164 -9.662 490 HD1 HIS 69 HD1 HIS 69 4.702 -2.429 -7.024 491 HD2 HIS 69 HD2 HIS 69 5.272 -1.279 -10.980 492 HE1 HIS 69 HE1 HIS 69 6.672 -3.756 -7.832 493 HE2 HIS 69 HE2 HIS 69 7.107 -2.912 -10.168 494 H GLU 70 H GLU 70 3.628 3.078 -7.360 495 HA GLU 70 HA GLU 70 5.652 3.871 -9.299 496 HB2 GLU 70 HB2 GLU 70 3.223 3.793 -10.259 497 HB3 GLU 70 HB3 GLU 70 2.981 5.251 -9.317 498 HG2 GLU 70 HG2 GLU 70 5.286 5.131 -11.191 499 HG3 GLU 70 HG3 GLU 70 3.664 5.338 -11.846 500 H GLN 71 H GLN 71 3.126 5.353 -7.235 501 HA GLN 71 HA GLN 71 5.019 7.402 -6.399 502 HB2 GLN 71 HB2 GLN 71 2.126 7.130 -5.562 503 HB3 GLN 71 HB3 GLN 71 3.139 8.566 -5.461 504 HG2 GLN 71 HG2 GLN 71 3.322 8.298 -8.031 505 HG3 GLN 71 HG3 GLN 71 1.875 7.307 -7.850 506 HE21 GLN 71 HE21 GLN 71 3.235 10.453 -7.681 507 HE22 GLN 71 HE22 GLN 71 1.744 11.326 -7.563 508 H ALA 72 H ALA 72 3.999 4.418 -5.291 509 HA ALA 72 HA ALA 72 3.930 4.817 -2.483 510 HB1 ALA 72 HB1 ALA 72 4.328 2.272 -4.017 511 HB2 ALA 72 HB2 ALA 72 2.770 2.986 -3.596 512 HB3 ALA 72 HB3 ALA 72 3.854 2.415 -2.325 513 H GLU 73 H GLU 73 6.533 4.335 -4.688 514 HA GLU 73 HA GLU 73 8.510 3.085 -3.227 515 HB2 GLU 73 HB2 GLU 73 8.723 3.663 -5.580 516 HB3 GLU 73 HB3 GLU 73 8.761 5.375 -5.179 517 HG2 GLU 73 HG2 GLU 73 10.851 4.875 -3.843 518 HG3 GLU 73 HG3 GLU 73 10.841 3.286 -4.613 519 H LYS 74 H LYS 74 7.666 6.540 -3.209 520 HA LYS 74 HA LYS 74 9.751 7.240 -1.367 521 HB2 LYS 74 HB2 LYS 74 7.309 8.860 -2.111 522 HB3 LYS 74 HB3 LYS 74 8.772 9.466 -1.350 523 HG2 LYS 74 HG2 LYS 74 8.449 8.447 -4.164 524 HG3 LYS 74 HG3 LYS 74 8.817 10.088 -3.647 525 HD2 LYS 74 HD2 LYS 74 10.627 7.706 -3.240 526 HD3 LYS 74 HD3 LYS 74 10.769 8.860 -4.564 527 HE2 LYS 74 HE2 LYS 74 11.326 10.625 -3.078 528 HE3 LYS 74 HE3 LYS 74 10.882 9.662 -1.667 529 HZ1 LYS 74 HZ1 LYS 74 13.122 9.036 -3.514 530 HZ2 LYS 74 HZ2 LYS 74 12.721 8.197 -2.097 531 HZ3 LYS 74 HZ3 LYS 74 13.292 9.789 -2.005 532 H VAL 75 H VAL 75 6.438 6.291 -1.097 533 HA VAL 75 HA VAL 75 5.952 7.297 1.528 534 HB VAL 75 HB VAL 75 4.373 5.128 0.131 535 HG11 VAL 75 HG11 VAL 75 3.576 7.215 2.155 536 HG12 VAL 75 HG12 VAL 75 3.803 5.493 2.466 537 HG13 VAL 75 HG13 VAL 75 2.500 6.033 1.409 538 HG21 VAL 75 HG21 VAL 75 4.613 6.988 -1.419 539 HG22 VAL 75 HG22 VAL 75 4.075 8.115 -0.173 540 HG23 VAL 75 HG23 VAL 75 2.962 6.902 -0.804 541 H GLU 76 H GLU 76 7.082 4.229 0.226 542 HA GLU 76 HA GLU 76 6.610 2.631 2.498 543 HB2 GLU 76 HB2 GLU 76 7.852 0.929 1.447 544 HB3 GLU 76 HB3 GLU 76 7.045 1.801 0.159 545 HG2 GLU 76 HG2 GLU 76 8.968 2.216 -0.853 546 HG3 GLU 76 HG3 GLU 76 9.666 2.888 0.616 547 H ALA 77 H ALA 77 9.377 4.616 1.608 548 HA ALA 77 HA ALA 77 11.183 3.706 3.567 549 HB1 ALA 77 HB1 ALA 77 11.844 5.006 1.605 550 HB2 ALA 77 HB2 ALA 77 12.413 5.749 3.101 551 HB3 ALA 77 HB3 ALA 77 11.011 6.413 2.262 552 H TYR 78 H TYR 78 8.587 6.028 3.637 553 HA TYR 78 HA TYR 78 9.245 7.170 6.169 554 HB2 TYR 78 HB2 TYR 78 7.844 8.192 4.256 555 HB3 TYR 78 HB3 TYR 78 6.515 7.244 4.917 556 HD1 TYR 78 HD2 TYR 78 9.105 9.705 5.917 557 HD2 TYR 78 HD1 TYR 78 5.213 8.149 6.636 558 HE1 TYR 78 HE2 TYR 78 8.715 11.467 7.576 559 HE2 TYR 78 HE1 TYR 78 4.815 9.911 8.304 560 HH TYR 78 HH TYR 78 6.938 12.600 8.659 561 H LEU 79 H LEU 79 7.161 4.530 5.080 562 HA LEU 79 HA LEU 79 5.845 4.002 7.527 563 HB2 LEU 79 HB2 LEU 79 5.187 3.129 5.273 564 HB3 LEU 79 HB3 LEU 79 6.564 2.059 5.314 565 HG LEU 79 HG LEU 79 4.218 1.109 5.806 566 HD11 LEU 79 HD11 LEU 79 6.199 -0.229 6.104 567 HD12 LEU 79 HD12 LEU 79 5.060 -0.521 7.419 568 HD13 LEU 79 HD13 LEU 79 6.483 0.490 7.692 569 HD21 LEU 79 HD21 LEU 79 3.541 1.150 8.167 570 HD22 LEU 79 HD22 LEU 79 3.461 2.740 7.405 571 HD23 LEU 79 HD23 LEU 79 4.799 2.348 8.488 572 H VAL 80 H VAL 80 8.867 2.792 6.150 573 HA VAL 80 HA VAL 80 9.502 0.948 8.174 574 HB VAL 80 HB VAL 80 11.361 2.434 6.291 575 HG11 VAL 80 HG11 VAL 80 12.999 0.669 6.729 576 HG12 VAL 80 HG12 VAL 80 11.924 -0.033 7.940 577 HG13 VAL 80 HG13 VAL 80 12.621 1.566 8.201 578 HG21 VAL 80 HG21 VAL 80 10.154 -0.329 6.139 579 HG22 VAL 80 HG22 VAL 80 11.321 0.345 5.003 580 HG23 VAL 80 HG23 VAL 80 9.714 1.058 5.143 581 H GLU 81 H GLU 81 10.353 4.425 7.895 582 HA GLU 81 HA GLU 81 11.928 4.324 10.297 583 HB2 GLU 81 HB2 GLU 81 12.147 6.743 10.072 584 HB3 GLU 81 HB3 GLU 81 12.553 5.892 8.591 585 HG2 GLU 81 HG2 GLU 81 10.381 6.491 7.648 586 HG3 GLU 81 HG3 GLU 81 9.975 7.336 9.145 587 H LYS 82 H LYS 82 8.550 4.864 9.675 588 HA LYS 82 HA LYS 82 8.034 6.063 12.237 589 HB2 LYS 82 HB2 LYS 82 6.310 4.926 10.059 590 HB3 LYS 82 HB3 LYS 82 5.616 5.257 11.640 591 HG2 LYS 82 HG2 LYS 82 7.016 7.276 9.900 592 HG3 LYS 82 HG3 LYS 82 5.266 7.095 10.060 593 HD2 LYS 82 HD2 LYS 82 5.465 7.549 12.468 594 HD3 LYS 82 HD3 LYS 82 7.200 7.789 12.265 595 HE2 LYS 82 HE2 LYS 82 6.766 9.661 10.764 596 HE3 LYS 82 HE3 LYS 82 5.030 9.407 10.948 597 HZ1 LYS 82 HZ1 LYS 82 6.914 10.142 13.121 598 HZ2 LYS 82 HZ2 LYS 82 5.248 9.875 13.306 599 HZ3 LYS 82 HZ3 LYS 82 5.801 11.181 12.375 600 H GLN 83 H GLN 83 8.137 2.830 10.930 601 HA GLN 83 HA GLN 83 8.083 0.737 11.800 602 HB2 GLN 83 HB2 GLN 83 8.432 2.191 14.432 603 HB3 GLN 83 HB3 GLN 83 8.402 0.438 14.292 604 HG2 GLN 83 HG2 GLN 83 10.337 2.100 12.724 605 HG3 GLN 83 HG3 GLN 83 10.670 1.593 14.378 606 HE21 GLN 83 HE21 GLN 83 10.144 0.526 11.111 607 HE22 GLN 83 HE22 GLN 83 10.832 -1.053 11.310 608 H ASP 84 H ASP 84 5.651 2.581 11.639 609 HA ASP 84 HA ASP 84 3.738 0.965 13.084 610 HB2 ASP 84 HB2 ASP 84 4.586 2.730 14.688 611 HB3 ASP 84 HB3 ASP 84 3.930 3.947 13.599 612 HA PRO 85 HA PRO 85 1.782 2.067 9.207 613 HB2 PRO 85 HB2 PRO 85 -0.325 0.447 9.389 614 HB3 PRO 85 HB3 PRO 85 1.313 -0.186 9.188 615 HG2 PRO 85 HG2 PRO 85 -0.312 0.073 11.697 616 HG3 PRO 85 HG3 PRO 85 0.596 -1.331 11.098 617 HD2 PRO 85 HD2 PRO 85 1.601 0.369 12.955 618 HD3 PRO 85 HD3 PRO 85 2.622 -0.472 11.769 619 H THR 86 H THR 86 0.741 3.204 12.173 620 HA THR 86 HA THR 86 -1.566 4.495 10.909 621 HB THR 86 HB THR 86 -2.484 2.683 12.245 622 HG1 THR 86 HG1 THR 86 -2.994 5.337 12.835 623 HG21 THR 86 HG21 THR 86 -0.759 2.411 13.923 624 HG22 THR 86 HG22 THR 86 -2.330 2.659 14.684 625 HG23 THR 86 HG23 THR 86 -1.163 3.980 14.621 626 H ASP 87 H ASP 87 1.359 5.061 12.129 627 HA ASP 87 HA ASP 87 0.642 7.455 13.622 628 HB2 ASP 87 HB2 ASP 87 2.591 5.909 14.278 629 HB3 ASP 87 HB3 ASP 87 3.459 6.633 12.927 630 H ILE 88 H ILE 88 -0.383 8.513 11.985 631 HA ILE 88 HA ILE 88 1.172 10.246 10.377 632 HB ILE 88 HB ILE 88 1.375 8.214 8.977 633 HG12 ILE 88 HG12 ILE 88 0.375 9.154 6.832 634 HG13 ILE 88 HG13 ILE 88 -0.297 10.444 7.822 635 HG21 ILE 88 HG21 ILE 88 -0.663 7.063 9.600 636 HG22 ILE 88 HG22 ILE 88 -0.552 7.227 7.846 637 HG23 ILE 88 HG23 ILE 88 -1.628 8.280 8.765 638 HD11 ILE 88 HD11 ILE 88 1.938 11.130 8.479 639 HD12 ILE 88 HD12 ILE 88 1.774 11.113 6.721 640 HD13 ILE 88 HD13 ILE 88 2.632 9.807 7.541 641 H LYS 89 H LYS 89 -0.032 12.031 9.898 642 HA LYS 89 HA LYS 89 -2.941 11.841 10.155 643 HB2 LYS 89 HB2 LYS 89 -1.925 12.706 12.292 644 HB3 LYS 89 HB3 LYS 89 -1.323 14.086 11.383 645 HG2 LYS 89 HG2 LYS 89 -3.534 14.837 10.908 646 HG3 LYS 89 HG3 LYS 89 -4.237 13.349 11.536 647 HD2 LYS 89 HD2 LYS 89 -2.678 15.334 13.190 648 HD3 LYS 89 HD3 LYS 89 -4.439 15.287 13.083 649 HE2 LYS 89 HE2 LYS 89 -4.406 12.980 13.954 650 HE3 LYS 89 HE3 LYS 89 -2.652 13.077 14.102 651 HZ1 LYS 89 HZ1 LYS 89 -2.957 14.938 15.651 652 HZ2 LYS 89 HZ2 LYS 89 -3.671 13.508 16.210 653 HZ3 LYS 89 HZ3 LYS 89 -4.639 14.735 15.556 654 H TYR 90 H TYR 90 -4.024 12.942 8.688 655 HA TYR 90 HA TYR 90 -2.379 14.104 6.551 656 HB2 TYR 90 HB2 TYR 90 -5.211 13.048 6.362 657 HB3 TYR 90 HB3 TYR 90 -4.151 13.495 5.033 658 HD1 TYR 90 HD2 TYR 90 -1.931 12.158 4.808 659 HD2 TYR 90 HD1 TYR 90 -5.293 10.830 7.051 660 HE1 TYR 90 HE2 TYR 90 -1.101 9.843 4.670 661 HE2 TYR 90 HE1 TYR 90 -4.474 8.519 6.924 662 HH TYR 90 HH TYR 90 -3.026 7.171 5.514 663 H LYS 91 H LYS 91 -3.106 15.890 5.385 664 HA LYS 91 HA LYS 91 -5.169 17.518 6.686 665 HB2 LYS 91 HB2 LYS 91 -3.637 19.391 5.396 666 HB3 LYS 91 HB3 LYS 91 -3.526 19.018 7.102 667 HG2 LYS 91 HG2 LYS 91 -1.308 19.070 6.338 668 HG3 LYS 91 HG3 LYS 91 -1.693 17.359 6.473 669 HD2 LYS 91 HD2 LYS 91 -0.471 17.686 4.451 670 HD3 LYS 91 HD3 LYS 91 -2.146 17.346 4.012 671 HE2 LYS 91 HE2 LYS 91 -1.303 19.138 2.633 672 HE3 LYS 91 HE3 LYS 91 -2.524 19.778 3.730 673 HZ1 LYS 91 HZ1 LYS 91 -0.819 20.683 5.121 674 HZ2 LYS 91 HZ2 LYS 91 -0.527 21.195 3.530 675 HZ3 LYS 91 HZ3 LYS 91 0.403 19.947 4.204 676 H ASP 92 H ASP 92 -6.846 16.805 5.300 677 HA ASP 92 HA ASP 92 -6.906 17.662 2.612 678 HB2 ASP 92 HB2 ASP 92 -5.320 15.597 2.622 679 HB3 ASP 92 HB3 ASP 92 -6.773 14.658 2.916 680 H ASN 93 H ASN 93 -8.928 16.094 1.593 681 HA ASN 93 HA ASN 93 -10.895 15.832 3.749 682 HB2 ASN 93 HB2 ASN 93 -12.588 16.123 2.202 683 HB3 ASN 93 HB3 ASN 93 -11.316 17.064 1.449 684 HD21 ASN 93 HD21 ASN 93 -10.235 16.178 -0.384 685 HD22 ASN 93 HD22 ASN 93 -10.987 14.944 -1.341 686 H ASP 94 H ASP 94 -8.683 14.053 1.995 687 HA ASP 94 HA ASP 94 -10.099 11.520 2.461 688 HB2 ASP 94 HB2 ASP 94 -8.541 12.469 0.105 689 HB3 ASP 94 HB3 ASP 94 -8.550 10.746 0.465 690 H GLY 95 H GLY 95 -6.847 12.958 1.978 691 HA2 GLY 95 HA2 GLY 95 -5.519 11.972 4.069 692 HA3 GLY 95 HA3 GLY 95 -5.673 10.536 3.079 693 H HIS 96 H HIS 96 -4.801 13.951 2.428 694 HA HIS 96 HA HIS 96 -2.428 12.970 1.012 695 HB2 HIS 96 HB2 HIS 96 -3.885 15.573 1.005 696 HB3 HIS 96 HB3 HIS 96 -2.164 15.578 0.645 697 HD1 HIS 96 HD1 HIS 96 -5.089 15.758 -1.124 698 HD2 HIS 96 HD2 HIS 96 -1.806 13.231 -1.415 699 HE1 HIS 96 HE1 HIS 96 -5.121 14.884 -3.479 700 HE2 HIS 96 HE2 HIS 96 -2.984 13.576 -3.691 701 H THR 97 H THR 97 -0.381 13.574 1.510 702 HA THR 97 HA THR 97 0.046 15.096 3.965 703 HB THR 97 HB THR 97 0.299 12.803 4.695 704 HG1 THR 97 HG1 THR 97 1.866 13.945 5.688 705 HG21 THR 97 HG21 THR 97 2.239 12.447 2.417 706 HG22 THR 97 HG22 THR 97 0.656 11.683 2.577 707 HG23 THR 97 HG23 THR 97 1.952 11.275 3.703 708 H ASP 98 H ASP 98 1.828 16.420 3.922 709 HA ASP 98 HA ASP 98 3.136 16.654 1.305 710 HB2 ASP 98 HB2 ASP 98 3.539 19.004 1.816 711 HB3 ASP 98 HB3 ASP 98 1.828 18.636 1.987 712 H ALA 99 H ALA 99 3.652 15.384 4.242 713 HA ALA 99 HA ALA 99 6.391 16.152 4.704 714 HB1 ALA 99 HB1 ALA 99 4.935 15.427 6.535 715 HB2 ALA 99 HB2 ALA 99 6.369 14.409 6.402 716 HB3 ALA 99 HB3 ALA 99 4.813 13.828 5.804 717 H ILE 100 H ILE 100 4.682 13.481 3.171 718 HA ILE 100 HA ILE 100 7.179 12.267 2.308 719 HB ILE 100 HB ILE 100 4.356 11.413 1.593 720 HG12 ILE 100 HG12 ILE 100 6.143 10.312 3.779 721 HG13 ILE 100 HG13 ILE 100 4.815 11.428 4.066 722 HG21 ILE 100 HG21 ILE 100 5.415 9.256 1.074 723 HG22 ILE 100 HG22 ILE 100 6.993 9.935 1.474 724 HG23 ILE 100 HG23 ILE 100 6.091 10.557 0.091 725 HD11 ILE 100 HD11 ILE 100 3.241 9.767 3.208 726 HD12 ILE 100 HD12 ILE 100 4.171 9.149 4.574 727 HD13 ILE 100 HD13 ILE 100 4.578 8.649 2.932 728 H SER 101 H SER 101 8.123 13.504 0.825 729 HA SER 101 HA SER 101 6.757 14.797 -1.333 730 HB2 SER 101 HB2 SER 101 9.177 15.142 -2.145 731 HB3 SER 101 HB3 SER 101 8.724 15.879 -0.608 732 HG SER 101 HG SER 101 10.222 13.511 -1.051 733 H GLY 102 H GLY 102 6.097 13.924 -3.154 734 HA2 GLY 102 HA2 GLY 102 6.810 12.585 -5.134 735 HA3 GLY 102 HA3 GLY 102 7.254 11.331 -3.983 736 H ALA 103 H ALA 103 4.893 11.940 -2.308 737 HA ALA 103 HA ALA 103 3.006 10.245 -3.683 738 HB1 ALA 103 HB1 ALA 103 1.846 10.199 -1.545 739 HB2 ALA 103 HB2 ALA 103 2.908 11.466 -0.931 740 HB3 ALA 103 HB3 ALA 103 3.567 9.880 -1.330 741 H THR 104 H THR 104 1.724 11.190 -5.146 742 HA THR 104 HA THR 104 0.448 13.757 -4.459 743 HB THR 104 HB THR 104 0.445 12.570 -7.233 744 HG1 THR 104 HG1 THR 104 2.626 13.263 -5.838 745 HG21 THR 104 HG21 THR 104 0.348 14.917 -7.922 746 HG22 THR 104 HG22 THR 104 0.451 15.429 -6.238 747 HG23 THR 104 HG23 THR 104 -0.967 14.547 -6.805 748 H ILE 105 H ILE 105 -0.109 10.409 -4.812 749 HA ILE 105 HA ILE 105 -2.996 10.663 -5.001 750 HB ILE 105 HB ILE 105 -1.686 8.761 -6.018 751 HG12 ILE 105 HG12 ILE 105 -4.240 8.764 -5.071 752 HG13 ILE 105 HG13 ILE 105 -3.546 7.500 -6.064 753 HG21 ILE 105 HG21 ILE 105 -1.355 7.828 -3.181 754 HG22 ILE 105 HG22 ILE 105 -0.085 8.332 -4.296 755 HG23 ILE 105 HG23 ILE 105 -1.009 6.865 -4.621 756 HD11 ILE 105 HD11 ILE 105 -3.863 7.461 -3.069 757 HD12 ILE 105 HD12 ILE 105 -3.101 6.188 -4.026 758 HD13 ILE 105 HD13 ILE 105 -4.811 6.557 -4.251 759 H LYS 106 H LYS 106 -4.393 9.825 -3.183 760 HA LYS 106 HA LYS 106 -3.534 10.811 -0.671 761 HB2 LYS 106 HB2 LYS 106 -5.979 9.230 -1.451 762 HB3 LYS 106 HB3 LYS 106 -5.702 9.872 0.164 763 HG2 LYS 106 HG2 LYS 106 -6.709 11.729 -0.512 764 HG3 LYS 106 HG3 LYS 106 -5.285 12.045 -1.504 765 HD2 LYS 106 HD2 LYS 106 -6.378 10.684 -3.318 766 HD3 LYS 106 HD3 LYS 106 -7.836 10.667 -2.327 767 HE2 LYS 106 HE2 LYS 106 -6.446 13.116 -3.413 768 HE3 LYS 106 HE3 LYS 106 -7.944 12.420 -4.022 769 HZ1 LYS 106 HZ1 LYS 106 -8.345 14.332 -2.596 770 HZ2 LYS 106 HZ2 LYS 106 -7.562 13.566 -1.302 771 HZ3 LYS 106 HZ3 LYS 106 -9.009 12.925 -1.918 772 H VAL 107 H VAL 107 -2.308 9.946 0.657 773 HA VAL 107 HA VAL 107 -1.256 7.301 0.490 774 HB VAL 107 HB VAL 107 -0.813 9.569 2.458 775 HG11 VAL 107 HG11 VAL 107 -0.058 7.449 3.417 776 HG12 VAL 107 HG12 VAL 107 1.289 8.528 3.046 777 HG13 VAL 107 HG13 VAL 107 0.930 7.165 1.985 778 HG21 VAL 107 HG21 VAL 107 1.183 10.017 1.152 779 HG22 VAL 107 HG22 VAL 107 -0.269 10.123 0.156 780 HG23 VAL 107 HG23 VAL 107 0.767 8.696 0.062 781 H LYS 108 H LYS 108 -4.007 8.541 1.934 782 HA LYS 108 HA LYS 108 -4.256 7.272 4.383 783 HB2 LYS 108 HB2 LYS 108 -5.808 8.994 3.301 784 HB3 LYS 108 HB3 LYS 108 -6.543 7.645 2.450 785 HG2 LYS 108 HG2 LYS 108 -6.326 7.443 5.401 786 HG3 LYS 108 HG3 LYS 108 -7.500 8.580 4.742 787 HD2 LYS 108 HD2 LYS 108 -8.545 6.779 3.467 788 HD3 LYS 108 HD3 LYS 108 -7.346 5.637 4.076 789 HE2 LYS 108 HE2 LYS 108 -8.145 6.058 6.363 790 HE3 LYS 108 HE3 LYS 108 -9.371 7.148 5.718 791 HZ1 LYS 108 HZ1 LYS 108 -9.136 4.239 5.178 792 HZ2 LYS 108 HZ2 LYS 108 -10.268 5.268 4.445 793 HZ3 LYS 108 HZ3 LYS 108 -10.323 4.999 6.118 794 H LYS 109 H LYS 109 -4.852 5.979 1.116 795 HA LYS 109 HA LYS 109 -6.024 3.533 1.970 796 HB2 LYS 109 HB2 LYS 109 -6.149 4.629 -0.333 797 HB3 LYS 109 HB3 LYS 109 -4.542 3.977 -0.616 798 HG2 LYS 109 HG2 LYS 109 -6.060 2.462 -1.620 799 HG3 LYS 109 HG3 LYS 109 -5.505 1.693 -0.137 800 HD2 LYS 109 HD2 LYS 109 -7.531 1.894 0.898 801 HD3 LYS 109 HD3 LYS 109 -7.962 3.354 0.005 802 HE2 LYS 109 HE2 LYS 109 -7.895 0.564 -1.136 803 HE3 LYS 109 HE3 LYS 109 -9.349 1.407 -0.603 804 HZ1 LYS 109 HZ1 LYS 109 -9.160 1.625 -2.954 805 HZ2 LYS 109 HZ2 LYS 109 -7.564 2.158 -2.857 806 HZ3 LYS 109 HZ3 LYS 109 -8.820 3.143 -2.291 807 H PHE 110 H PHE 110 -2.663 4.491 1.344 808 HA PHE 110 HA PHE 110 -1.506 1.913 1.396 809 HB2 PHE 110 HB2 PHE 110 -0.187 3.712 0.502 810 HB3 PHE 110 HB3 PHE 110 -0.343 4.647 1.984 811 HD1 PHE 110 HD1 PHE 110 1.188 1.550 0.588 812 HD2 PHE 110 HD2 PHE 110 1.236 4.485 3.667 813 HE1 PHE 110 HE1 PHE 110 3.294 0.605 1.458 814 HE2 PHE 110 HE2 PHE 110 3.326 3.542 4.544 815 HZ PHE 110 HZ PHE 110 4.351 1.601 3.459 816 H PHE 111 H PHE 111 -1.750 4.378 3.973 817 HA PHE 111 HA PHE 111 -0.687 2.618 5.946 818 HB2 PHE 111 HB2 PHE 111 -1.949 5.329 6.061 819 HB3 PHE 111 HB3 PHE 111 -1.629 4.432 7.542 820 HD1 PHE 111 HD1 PHE 111 0.710 3.842 8.142 821 HD2 PHE 111 HD2 PHE 111 -0.183 6.395 4.866 822 HE1 PHE 111 HE1 PHE 111 3.021 4.672 8.168 823 HE2 PHE 111 HE2 PHE 111 2.133 7.225 4.884 824 HZ PHE 111 HZ PHE 111 3.737 6.370 6.539 825 H ASP 112 H ASP 112 -3.928 3.295 4.832 826 HA ASP 112 HA ASP 112 -5.521 2.220 6.879 827 HB2 ASP 112 HB2 ASP 112 -6.216 3.329 4.630 828 HB3 ASP 112 HB3 ASP 112 -6.055 1.730 3.955 829 H LEU 113 H LEU 113 -4.196 0.725 3.997 830 HA LEU 113 HA LEU 113 -5.115 -1.889 4.658 831 HB2 LEU 113 HB2 LEU 113 -3.661 -0.587 2.436 832 HB3 LEU 113 HB3 LEU 113 -3.411 -2.295 2.634 833 HG LEU 113 HG LEU 113 -5.136 -1.978 0.998 834 HD11 LEU 113 HD11 LEU 113 -6.974 -3.208 2.005 835 HD12 LEU 113 HD12 LEU 113 -6.367 -2.824 3.617 836 HD13 LEU 113 HD13 LEU 113 -5.420 -3.851 2.538 837 HD21 LEU 113 HD21 LEU 113 -6.594 -0.349 3.071 838 HD22 LEU 113 HD22 LEU 113 -7.242 -0.846 1.507 839 HD23 LEU 113 HD23 LEU 113 -5.867 0.258 1.583 840 H ALA 114 H ALA 114 -2.169 -0.129 5.211 841 HA ALA 114 HA ALA 114 -0.543 -2.321 5.943 842 HB1 ALA 114 HB1 ALA 114 0.887 -0.671 6.991 843 HB2 ALA 114 HB2 ALA 114 -0.400 0.531 6.898 844 HB3 ALA 114 HB3 ALA 114 0.331 -0.095 5.420 845 H GLN 115 H GLN 115 -2.869 -0.362 7.785 846 HA GLN 115 HA GLN 115 -2.312 -1.524 10.346 847 HB2 GLN 115 HB2 GLN 115 -4.817 -0.167 9.319 848 HB3 GLN 115 HB3 GLN 115 -4.513 -0.568 11.003 849 HG2 GLN 115 HG2 GLN 115 -2.784 1.005 11.175 850 HG3 GLN 115 HG3 GLN 115 -2.683 1.204 9.428 851 HE21 GLN 115 HE21 GLN 115 -2.978 3.363 9.414 852 HE22 GLN 115 HE22 GLN 115 -4.450 4.148 9.874 853 H LYS 116 H LYS 116 -4.428 -2.279 7.692 854 HA LYS 116 HA LYS 116 -5.936 -4.328 8.980 855 HB2 LYS 116 HB2 LYS 116 -5.588 -3.607 6.063 856 HB3 LYS 116 HB3 LYS 116 -6.752 -4.783 6.668 857 HG2 LYS 116 HG2 LYS 116 -7.904 -3.092 7.917 858 HG3 LYS 116 HG3 LYS 116 -6.672 -1.897 7.517 859 HD2 LYS 116 HD2 LYS 116 -8.591 -1.500 6.147 860 HD3 LYS 116 HD3 LYS 116 -7.307 -2.143 5.122 861 HE2 LYS 116 HE2 LYS 116 -8.341 -4.251 4.978 862 HE3 LYS 116 HE3 LYS 116 -9.427 -3.899 6.324 863 HZ1 LYS 116 HZ1 LYS 116 -10.547 -2.271 4.981 864 HZ2 LYS 116 HZ2 LYS 116 -10.542 -3.757 4.174 865 HZ3 LYS 116 HZ3 LYS 116 -9.482 -2.527 3.692 866 H ALA 117 H ALA 117 -2.915 -4.196 7.316 867 HA ALA 117 HA ALA 117 -2.628 -6.944 6.694 868 HB1 ALA 117 HB1 ALA 117 -0.283 -6.396 6.364 869 HB2 ALA 117 HB2 ALA 117 -0.530 -4.840 7.157 870 HB3 ALA 117 HB3 ALA 117 -1.329 -5.185 5.623 871 H LEU 118 H LEU 118 -1.808 -5.002 9.522 872 HA LEU 118 HA LEU 118 -0.520 -7.327 10.775 873 HB2 LEU 118 HB2 LEU 118 -0.469 -4.399 11.492 874 HB3 LEU 118 HB3 LEU 118 0.409 -5.659 12.342 875 HG LEU 118 HG LEU 118 0.928 -5.534 9.452 876 HD11 LEU 118 HD11 LEU 118 1.811 -3.331 11.297 877 HD12 LEU 118 HD12 LEU 118 0.660 -3.182 9.965 878 HD13 LEU 118 HD13 LEU 118 2.352 -3.577 9.634 879 HD21 LEU 118 HD21 LEU 118 3.219 -5.824 10.230 880 HD22 LEU 118 HD22 LEU 118 2.144 -7.009 10.971 881 HD23 LEU 118 HD23 LEU 118 2.688 -5.610 11.897 882 H LYS 119 H LYS 119 -3.500 -6.725 10.577 883 HA LYS 119 HA LYS 119 -4.424 -5.944 13.134 884 HB2 LYS 119 HB2 LYS 119 -6.646 -6.640 12.400 885 HB3 LYS 119 HB3 LYS 119 -5.819 -5.709 11.160 886 HG2 LYS 119 HG2 LYS 119 -5.536 -7.565 9.778 887 HG3 LYS 119 HG3 LYS 119 -5.808 -8.706 11.095 888 HD2 LYS 119 HD2 LYS 119 -7.727 -8.684 9.633 889 HD3 LYS 119 HD3 LYS 119 -8.173 -7.981 11.187 890 HE2 LYS 119 HE2 LYS 119 -7.788 -5.722 10.165 891 HE3 LYS 119 HE3 LYS 119 -7.591 -6.531 8.611 892 HZ1 LYS 119 HZ1 LYS 119 -9.817 -7.360 8.752 893 HZ2 LYS 119 HZ2 LYS 119 -9.853 -5.681 8.986 894 HZ3 LYS 119 HZ3 LYS 119 -10.015 -6.725 10.309 895 H ASP 120 H ASP 120 -3.882 -9.173 11.750 896 HA ASP 120 HA ASP 120 -4.703 -10.446 14.233 897 HB2 ASP 120 HB2 ASP 120 -3.532 -11.638 11.701 898 HB3 ASP 120 HB3 ASP 120 -4.095 -12.562 13.087 899 H ALA 121 H ALA 121 -1.929 -9.235 12.745 900 HA ALA 121 HA ALA 121 0.307 -9.355 12.937 901 HB1 ALA 121 HB1 ALA 121 1.152 -8.996 15.125 902 HB2 ALA 121 HB2 ALA 121 -0.276 -9.736 15.858 903 HB3 ALA 121 HB3 ALA 121 -0.419 -8.203 14.993 904 H GLU 122 H GLU 122 -1.094 -12.108 12.742 905 HA GLU 122 HA GLU 122 1.372 -13.637 13.127 906 HB2 GLU 122 HB2 GLU 122 -1.369 -14.429 14.111 907 HB3 GLU 122 HB3 GLU 122 -0.101 -15.610 13.826 908 HG2 GLU 122 HG2 GLU 122 1.323 -14.471 15.465 909 HG3 GLU 122 HG3 GLU 122 0.047 -13.290 15.740 910 H LYS 123 H LYS 123 -0.253 -12.406 10.881 911 HA LYS 123 HA LYS 123 -1.124 -14.593 9.226 912 HB2 LYS 123 HB2 LYS 123 -0.551 -11.693 8.557 913 HB3 LYS 123 HB3 LYS 123 -1.349 -12.841 7.489 914 HG2 LYS 123 HG2 LYS 123 -3.252 -12.971 8.900 915 HG3 LYS 123 HG3 LYS 123 -2.432 -12.117 10.203 916 HD2 LYS 123 HD2 LYS 123 -3.991 -10.617 9.146 917 HD3 LYS 123 HD3 LYS 123 -2.351 -10.096 8.764 918 HE2 LYS 123 HE2 LYS 123 -3.744 -9.933 6.795 919 HE3 LYS 123 HE3 LYS 123 -2.534 -11.192 6.565 920 HZ1 LYS 123 HZ1 LYS 123 -5.329 -11.733 7.413 921 HZ2 LYS 123 HZ2 LYS 123 -4.159 -12.864 6.940 922 HZ3 LYS 123 HZ3 LYS 123 -4.800 -11.786 5.805 923 H LEU 124 H LEU 124 0.076 -15.735 7.748 924 HA LEU 124 HA LEU 124 2.905 -14.944 7.497 925 HB2 LEU 124 HB2 LEU 124 1.763 -17.736 7.586 926 HB3 LEU 124 HB3 LEU 124 3.450 -17.342 7.330 927 HG LEU 124 HG LEU 124 1.897 -16.748 9.857 928 HD11 LEU 124 HD11 LEU 124 2.225 -19.143 9.496 929 HD12 LEU 124 HD12 LEU 124 3.203 -18.553 10.840 930 HD13 LEU 124 HD13 LEU 124 3.955 -18.874 9.276 931 HD21 LEU 124 HD21 LEU 124 4.086 -16.242 10.821 932 HD22 LEU 124 HD22 LEU 124 3.729 -15.166 9.470 933 HD23 LEU 124 HD23 LEU 124 4.848 -16.512 9.252 934 H GLU 125 H GLU 125 2.950 -13.992 5.589 935 HA GLU 125 HA GLU 125 2.116 -15.521 3.213 936 HB2 GLU 125 HB2 GLU 125 1.079 -13.272 3.501 937 HB3 GLU 125 HB3 GLU 125 2.673 -12.548 3.538 938 HG2 GLU 125 HG2 GLU 125 1.574 -12.190 1.401 939 HG3 GLU 125 HG3 GLU 125 3.036 -13.156 1.222 940 H HIS 126 H HIS 126 3.639 -15.421 1.380 941 HA HIS 126 HA HIS 126 6.331 -15.954 1.892 942 HB2 HIS 126 HB2 HIS 126 5.346 -16.705 -0.154 943 HB3 HIS 126 HB3 HIS 126 4.812 -15.090 -0.580 944 HD1 HIS 126 HD1 HIS 126 6.169 -13.973 -2.296 945 HD2 HIS 126 HD2 HIS 126 8.347 -16.888 -0.279 946 HE1 HIS 126 HE1 HIS 126 8.410 -14.052 -3.436 947 HE2 HIS 126 HE2 HIS 126 9.755 -15.722 -2.120 948 H HIS 127 H HIS 127 7.991 -14.715 2.357 949 HA HIS 127 HA HIS 127 7.953 -11.933 2.686 950 HB2 HIS 127 HB2 HIS 127 10.115 -13.994 2.598 951 HB3 HIS 127 HB3 HIS 127 10.570 -12.297 2.521 952 HD1 HIS 127 HD1 HIS 127 10.231 -10.883 4.633 953 HD2 HIS 127 HD2 HIS 127 9.152 -14.866 5.087 954 HE1 HIS 127 HE1 HIS 127 9.985 -11.235 7.118 955 HE2 HIS 127 HE2 HIS 127 9.515 -13.696 7.370 956 H HIS 128 H HIS 128 7.944 -10.375 1.258 957 HA HIS 128 HA HIS 128 9.422 -10.787 -1.248 958 HB2 HIS 128 HB2 HIS 128 6.801 -10.484 -1.318 959 HB3 HIS 128 HB3 HIS 128 7.182 -8.787 -1.055 960 HD1 HIS 128 HD1 HIS 128 6.378 -8.045 -3.369 961 HD2 HIS 128 HD2 HIS 128 9.369 -10.927 -3.497 962 HE1 HIS 128 HE1 HIS 128 7.054 -8.198 -5.785 963 HE2 HIS 128 HE2 HIS 128 8.751 -10.056 -5.861 964 H HIS 129 H HIS 129 11.281 -10.074 -0.285 965 HA HIS 129 HA HIS 129 11.427 -7.566 1.113 966 HB2 HIS 129 HB2 HIS 129 12.844 -9.513 1.732 967 HB3 HIS 129 HB3 HIS 129 13.637 -9.418 0.165 968 HD1 HIS 129 HD1 HIS 129 13.475 -7.747 3.514 969 HD2 HIS 129 HD2 HIS 129 15.606 -7.428 -0.038 970 HE1 HIS 129 HE1 HIS 129 15.431 -6.252 4.031 971 HE2 HIS 129 HE2 HIS 129 16.765 -6.158 1.900 972 H HIS 130 H HIS 130 11.057 -5.845 -0.079 973 HA HIS 130 HA HIS 130 12.120 -5.532 -2.733 974 HB2 HIS 130 HB2 HIS 130 9.934 -4.550 -2.047 975 HB3 HIS 130 HB3 HIS 130 10.785 -3.490 -0.931 976 HD1 HIS 130 HD1 HIS 130 11.229 -1.240 -1.816 977 HD2 HIS 130 HD2 HIS 130 10.900 -4.053 -4.860 978 HE1 HIS 130 HE1 HIS 130 11.613 0.021 -3.946 979 HE2 HIS 130 HE2 HIS 130 11.280 -1.664 -5.787 980 H HIS 131 H HIS 131 12.566 -3.603 0.261 981 HA HIS 131 HA HIS 131 15.439 -3.685 -0.031 982 HB2 HIS 131 HB2 HIS 131 14.691 -1.798 -1.545 983 HB3 HIS 131 HB3 HIS 131 14.073 -0.983 -0.113 984 HD1 HIS 131 HD1 HIS 131 15.635 0.727 0.730 985 HD2 HIS 131 HD2 HIS 131 17.647 -2.425 -1.087 986 HE1 HIS 131 HE1 HIS 131 18.077 1.327 0.845 987 HE2 HIS 131 HE2 HIS 131 19.280 -0.595 -0.253 Start of MODEL 5 1 H1 MET 1 H1 MET 1 3.897 -9.663 16.616 2 H2 MET 1 H2 MET 1 2.715 -10.701 15.986 3 H3 MET 1 H3 MET 1 2.505 -9.026 15.894 4 HA MET 1 HA MET 1 3.174 -9.998 13.757 5 HB2 MET 1 HB2 MET 1 5.129 -8.132 15.134 6 HB3 MET 1 HB3 MET 1 5.155 -8.455 13.406 7 HG2 MET 1 HG2 MET 1 3.129 -7.369 13.049 8 HG3 MET 1 HG3 MET 1 2.675 -7.453 14.748 9 HE1 MET 1 HE1 MET 1 4.873 -5.663 12.047 10 HE2 MET 1 HE2 MET 1 6.135 -6.233 13.142 11 HE3 MET 1 HE3 MET 1 5.794 -4.507 13.011 12 H LYS 2 H LYS 2 4.050 -11.837 13.046 13 HA LYS 2 HA LYS 2 6.400 -12.983 14.380 14 HB2 LYS 2 HB2 LYS 2 4.695 -14.164 12.168 15 HB3 LYS 2 HB3 LYS 2 5.978 -14.992 13.021 16 HG2 LYS 2 HG2 LYS 2 4.100 -15.892 13.993 17 HG3 LYS 2 HG3 LYS 2 4.472 -14.590 15.120 18 HD2 LYS 2 HD2 LYS 2 2.662 -13.353 14.503 19 HD3 LYS 2 HD3 LYS 2 2.666 -13.960 12.850 20 HE2 LYS 2 HE2 LYS 2 0.701 -14.764 13.960 21 HE3 LYS 2 HE3 LYS 2 1.790 -16.123 13.706 22 HZ1 LYS 2 HZ1 LYS 2 1.456 -14.635 16.251 23 HZ2 LYS 2 HZ2 LYS 2 2.484 -15.957 16.011 24 HZ3 LYS 2 HZ3 LYS 2 0.806 -16.158 15.910 25 H ASP 3 H ASP 3 8.249 -13.640 13.082 26 HA ASP 3 HA ASP 3 9.069 -11.959 10.984 27 HB2 ASP 3 HB2 ASP 3 10.654 -13.214 12.353 28 HB3 ASP 3 HB3 ASP 3 10.022 -14.734 11.742 29 H GLY 4 H GLY 4 8.106 -11.798 9.127 30 HA2 GLY 4 HA2 GLY 4 7.831 -13.487 7.065 31 HA3 GLY 4 HA3 GLY 4 6.437 -13.900 8.062 32 H THR 5 H THR 5 5.770 -12.962 5.674 33 HA THR 5 HA THR 5 5.645 -10.044 5.828 34 HB THR 5 HB THR 5 4.874 -11.549 3.358 35 HG1 THR 5 HG1 THR 5 7.569 -11.006 4.169 36 HG21 THR 5 HG21 THR 5 5.857 -9.611 2.274 37 HG22 THR 5 HG22 THR 5 6.386 -8.985 3.836 38 HG23 THR 5 HG23 THR 5 4.663 -9.104 3.470 39 H TYR 6 H TYR 6 3.747 -8.940 5.627 40 HA TYR 6 HA TYR 6 1.258 -10.499 5.807 41 HB2 TYR 6 HB2 TYR 6 2.018 -8.021 7.375 42 HB3 TYR 6 HB3 TYR 6 0.420 -8.773 7.398 43 HD1 TYR 6 HD1 TYR 6 0.295 -11.193 8.100 44 HD2 TYR 6 HD2 TYR 6 3.667 -8.743 8.853 45 HE1 TYR 6 HE1 TYR 6 1.067 -12.790 9.777 46 HE2 TYR 6 HE2 TYR 6 4.458 -10.340 10.546 47 HH TYR 6 HH TYR 6 3.224 -13.454 10.784 48 H TYR 7 H TYR 7 0.051 -10.079 4.096 49 HA TYR 7 HA TYR 7 0.277 -7.417 2.905 50 HB2 TYR 7 HB2 TYR 7 0.375 -8.433 0.904 51 HB3 TYR 7 HB3 TYR 7 0.448 -9.969 1.744 52 HD1 TYR 7 HD2 TYR 7 -1.595 -11.355 1.961 53 HD2 TYR 7 HD1 TYR 7 -1.579 -7.741 -0.287 54 HE1 TYR 7 HE2 TYR 7 -3.694 -12.030 0.870 55 HE2 TYR 7 HE1 TYR 7 -3.675 -8.406 -1.384 56 HH TYR 7 HH TYR 7 -5.715 -10.572 -0.242 57 H ALA 8 H ALA 8 -1.544 -6.149 2.610 58 HA ALA 8 HA ALA 8 -4.125 -7.428 3.108 59 HB1 ALA 8 HB1 ALA 8 -3.566 -6.286 5.182 60 HB2 ALA 8 HB2 ALA 8 -4.941 -5.534 4.368 61 HB3 ALA 8 HB3 ALA 8 -3.350 -4.779 4.290 62 H GLU 9 H GLU 9 -5.847 -6.404 2.157 63 HA GLU 9 HA GLU 9 -5.064 -4.872 -0.206 64 HB2 GLU 9 HB2 GLU 9 -6.785 -6.073 -1.436 65 HB3 GLU 9 HB3 GLU 9 -5.671 -7.213 -0.708 66 HG2 GLU 9 HG2 GLU 9 -8.301 -6.526 0.564 67 HG3 GLU 9 HG3 GLU 9 -8.157 -7.772 -0.668 68 H ALA 10 H ALA 10 -6.813 -3.566 -1.115 69 HA ALA 10 HA ALA 10 -8.430 -2.199 0.799 70 HB1 ALA 10 HB1 ALA 10 -8.534 -2.162 -2.220 71 HB2 ALA 10 HB2 ALA 10 -7.576 -1.087 -1.199 72 HB3 ALA 10 HB3 ALA 10 -9.338 -1.015 -1.147 73 H ASP 11 H ASP 11 -10.798 -2.160 0.805 74 HA ASP 11 HA ASP 11 -11.861 -4.823 0.709 75 HB2 ASP 11 HB2 ASP 11 -12.837 -2.184 1.651 76 HB3 ASP 11 HB3 ASP 11 -14.060 -3.384 1.246 77 H ASP 12 H ASP 12 -11.675 -2.348 -1.561 78 HA ASP 12 HA ASP 12 -13.337 -3.855 -3.402 79 HB2 ASP 12 HB2 ASP 12 -14.453 -1.805 -4.241 80 HB3 ASP 12 HB3 ASP 12 -14.897 -2.172 -2.581 81 H PHE 13 H PHE 13 -13.002 -3.029 -5.691 82 HA PHE 13 HA PHE 13 -10.201 -2.355 -6.122 83 HB2 PHE 13 HB2 PHE 13 -12.418 -2.918 -8.113 84 HB3 PHE 13 HB3 PHE 13 -10.745 -2.616 -8.540 85 HD1 PHE 13 HD1 PHE 13 -9.022 -4.271 -8.056 86 HD2 PHE 13 HD2 PHE 13 -13.128 -5.057 -7.281 87 HE1 PHE 13 HE1 PHE 13 -8.535 -6.676 -7.939 88 HE2 PHE 13 HE2 PHE 13 -12.643 -7.465 -7.150 89 HZ PHE 13 HZ PHE 13 -10.344 -8.276 -7.479 90 H ASP 14 H ASP 14 -9.521 -0.511 -7.258 91 HA ASP 14 HA ASP 14 -11.161 1.802 -6.778 92 HB2 ASP 14 HB2 ASP 14 -8.343 1.377 -7.710 93 HB3 ASP 14 HB3 ASP 14 -9.097 2.965 -7.859 94 H GLU 15 H GLU 15 -10.719 3.576 -8.661 95 HA GLU 15 HA GLU 15 -12.525 2.730 -10.712 96 HB2 GLU 15 HB2 GLU 15 -12.284 5.101 -11.520 97 HB3 GLU 15 HB3 GLU 15 -12.875 4.903 -9.879 98 HG2 GLU 15 HG2 GLU 15 -10.654 5.427 -9.016 99 HG3 GLU 15 HG3 GLU 15 -10.060 5.621 -10.664 100 H SER 16 H SER 16 -9.078 2.779 -10.573 101 HA SER 16 HA SER 16 -8.904 2.642 -13.485 102 HB2 SER 16 HB2 SER 16 -6.448 2.337 -13.073 103 HB3 SER 16 HB3 SER 16 -7.110 3.868 -12.500 104 HG SER 16 HG SER 16 -5.669 2.383 -11.067 105 H GLY 17 H GLY 17 -9.718 0.570 -11.066 106 HA2 GLY 17 HA2 GLY 17 -10.256 -1.672 -11.308 107 HA3 GLY 17 HA3 GLY 17 -9.307 -1.720 -12.788 108 H TRP 18 H TRP 18 -8.190 -0.576 -9.663 109 HA TRP 18 HA TRP 18 -6.570 -2.995 -9.368 110 HB2 TRP 18 HB2 TRP 18 -5.591 -0.147 -9.145 111 HB3 TRP 18 HB3 TRP 18 -4.696 -1.529 -8.528 112 HD1 TRP 18 HD1 TRP 18 -5.390 0.402 -11.673 113 HE1 TRP 18 HE1 TRP 18 -4.023 -0.582 -13.611 114 HE3 TRP 18 HE3 TRP 18 -3.824 -3.927 -9.448 115 HZ2 TRP 18 HZ2 TRP 18 -2.485 -2.893 -14.135 116 HZ3 TRP 18 HZ3 TRP 18 -2.416 -5.471 -10.737 117 HH2 TRP 18 HH2 TRP 18 -1.763 -4.966 -13.031 118 H LYS 19 H LYS 19 -6.769 -3.884 -7.480 119 HA LYS 19 HA LYS 19 -7.818 -2.387 -5.210 120 HB2 LYS 19 HB2 LYS 19 -8.721 -4.637 -5.673 121 HB3 LYS 19 HB3 LYS 19 -7.105 -5.309 -5.537 122 HG2 LYS 19 HG2 LYS 19 -7.027 -4.709 -3.191 123 HG3 LYS 19 HG3 LYS 19 -8.622 -3.962 -3.315 124 HD2 LYS 19 HD2 LYS 19 -8.134 -6.849 -3.998 125 HD3 LYS 19 HD3 LYS 19 -8.528 -6.320 -2.361 126 HE2 LYS 19 HE2 LYS 19 -10.594 -5.273 -3.257 127 HE3 LYS 19 HE3 LYS 19 -10.206 -5.949 -4.839 128 HZ1 LYS 19 HZ1 LYS 19 -10.273 -8.165 -3.836 129 HZ2 LYS 19 HZ2 LYS 19 -11.762 -7.360 -3.701 130 HZ3 LYS 19 HZ3 LYS 19 -10.739 -7.482 -2.355 131 H ASP 20 H ASP 20 -6.334 -1.233 -4.199 132 HA ASP 20 HA ASP 20 -3.561 -1.690 -4.480 133 HB2 ASP 20 HB2 ASP 20 -5.150 0.088 -2.644 134 HB3 ASP 20 HB3 ASP 20 -3.390 0.064 -2.658 135 H THR 21 H THR 21 -2.133 -2.733 -3.267 136 HA THR 21 HA THR 21 -3.046 -3.801 -0.695 137 HB THR 21 HB THR 21 -1.817 -5.889 -1.055 138 HG1 THR 21 HG1 THR 21 -0.701 -4.574 -3.066 139 HG21 THR 21 HG21 THR 21 -3.751 -5.332 -3.304 140 HG22 THR 21 HG22 THR 21 -4.172 -5.869 -1.676 141 HG23 THR 21 HG23 THR 21 -3.250 -6.928 -2.743 142 H VAL 22 H VAL 22 -1.664 -3.635 0.928 143 HA VAL 22 HA VAL 22 1.024 -2.594 0.340 144 HB VAL 22 HB VAL 22 -0.779 -1.920 2.681 145 HG11 VAL 22 HG11 VAL 22 1.019 -0.448 3.464 146 HG12 VAL 22 HG12 VAL 22 2.074 -1.055 2.188 147 HG13 VAL 22 HG13 VAL 22 1.528 -2.136 3.470 148 HG21 VAL 22 HG21 VAL 22 0.405 -0.222 0.485 149 HG22 VAL 22 HG22 VAL 22 -0.579 0.371 1.825 150 HG23 VAL 22 HG23 VAL 22 -1.283 -0.716 0.625 151 H THR 23 H THR 23 2.385 -4.093 0.595 152 HA THR 23 HA THR 23 1.836 -6.306 2.401 153 HB THR 23 HB THR 23 4.085 -6.169 0.403 154 HG1 THR 23 HG1 THR 23 2.661 -6.216 -1.161 155 HG21 THR 23 HG21 THR 23 4.049 -8.015 2.015 156 HG22 THR 23 HG22 THR 23 3.775 -8.590 0.367 157 HG23 THR 23 HG23 THR 23 2.421 -8.434 1.487 158 H ILE 24 H ILE 24 2.645 -6.110 4.344 159 HA ILE 24 HA ILE 24 4.883 -4.337 4.899 160 HB ILE 24 HB ILE 24 3.034 -5.851 6.762 161 HG12 ILE 24 HG12 ILE 24 1.921 -4.113 5.377 162 HG13 ILE 24 HG13 ILE 24 1.849 -3.788 7.108 163 HG21 ILE 24 HG21 ILE 24 3.880 -4.388 8.532 164 HG22 ILE 24 HG22 ILE 24 5.031 -3.682 7.396 165 HG23 ILE 24 HG23 ILE 24 5.159 -5.385 7.838 166 HD11 ILE 24 HD11 ILE 24 3.707 -2.482 5.126 167 HD12 ILE 24 HD12 ILE 24 3.669 -2.159 6.860 168 HD13 ILE 24 HD13 ILE 24 2.275 -1.757 5.858 169 H GLU 25 H GLU 25 6.869 -5.185 4.965 170 HA GLU 25 HA GLU 25 7.140 -8.066 5.240 171 HB2 GLU 25 HB2 GLU 25 8.320 -7.010 3.384 172 HB3 GLU 25 HB3 GLU 25 9.160 -5.941 4.499 173 HG2 GLU 25 HG2 GLU 25 10.679 -7.612 3.950 174 HG3 GLU 25 HG3 GLU 25 10.117 -7.999 5.563 175 H VAL 26 H VAL 26 7.239 -8.766 7.200 176 HA VAL 26 HA VAL 26 8.667 -7.206 9.207 177 HB VAL 26 HB VAL 26 6.740 -9.518 9.619 178 HG11 VAL 26 HG11 VAL 26 6.743 -8.845 11.983 179 HG12 VAL 26 HG12 VAL 26 8.005 -7.663 11.633 180 HG13 VAL 26 HG13 VAL 26 8.334 -9.386 11.443 181 HG21 VAL 26 HG21 VAL 26 5.605 -7.557 8.759 182 HG22 VAL 26 HG22 VAL 26 6.330 -6.564 10.024 183 HG23 VAL 26 HG23 VAL 26 5.182 -7.833 10.449 184 H LYS 27 H LYS 27 10.459 -7.913 10.067 185 HA LYS 27 HA LYS 27 11.260 -10.677 9.830 186 HB2 LYS 27 HB2 LYS 27 11.963 -9.227 7.744 187 HB3 LYS 27 HB3 LYS 27 13.195 -8.623 8.845 188 HG2 LYS 27 HG2 LYS 27 14.281 -10.618 8.959 189 HG3 LYS 27 HG3 LYS 27 12.828 -11.558 8.598 190 HD2 LYS 27 HD2 LYS 27 14.512 -9.963 6.675 191 HD3 LYS 27 HD3 LYS 27 14.260 -11.708 6.696 192 HE2 LYS 27 HE2 LYS 27 12.196 -9.597 6.083 193 HE3 LYS 27 HE3 LYS 27 12.953 -10.678 4.915 194 HZ1 LYS 27 HZ1 LYS 27 10.703 -11.387 5.550 195 HZ2 LYS 27 HZ2 LYS 27 11.199 -11.533 7.163 196 HZ3 LYS 27 HZ3 LYS 27 11.862 -12.549 5.984 197 H ASN 28 H ASN 28 12.310 -11.255 11.562 198 HA ASN 28 HA ASN 28 13.282 -11.234 13.600 199 HB2 ASN 28 HB2 ASN 28 14.501 -8.727 12.463 200 HB3 ASN 28 HB3 ASN 28 14.973 -9.378 14.027 201 HD21 ASN 28 HD21 ASN 28 15.207 -9.657 10.623 202 HD22 ASN 28 HD22 ASN 28 16.354 -10.949 10.565 203 H GLY 29 H GLY 29 10.660 -10.262 13.366 204 HA2 GLY 29 HA2 GLY 29 9.162 -9.627 15.033 205 HA3 GLY 29 HA3 GLY 29 10.453 -8.758 15.837 206 H LYS 30 H LYS 30 11.132 -7.262 13.324 207 HA LYS 30 HA LYS 30 8.965 -5.287 13.626 208 HB2 LYS 30 HB2 LYS 30 10.748 -3.556 13.256 209 HB3 LYS 30 HB3 LYS 30 10.886 -4.447 14.763 210 HG2 LYS 30 HG2 LYS 30 12.733 -5.678 13.998 211 HG3 LYS 30 HG3 LYS 30 12.435 -5.241 12.316 212 HD2 LYS 30 HD2 LYS 30 14.361 -4.047 13.268 213 HD3 LYS 30 HD3 LYS 30 13.079 -2.944 12.774 214 HE2 LYS 30 HE2 LYS 30 13.994 -2.253 14.904 215 HE3 LYS 30 HE3 LYS 30 12.331 -2.794 15.111 216 HZ1 LYS 30 HZ1 LYS 30 13.168 -4.913 15.925 217 HZ2 LYS 30 HZ2 LYS 30 13.735 -3.626 16.866 218 HZ3 LYS 30 HZ3 LYS 30 14.763 -4.371 15.746 219 H ILE 31 H ILE 31 9.064 -3.556 11.808 220 HA ILE 31 HA ILE 31 8.897 -4.950 9.285 221 HB ILE 31 HB ILE 31 8.596 -1.971 9.719 222 HG12 ILE 31 HG12 ILE 31 6.335 -3.979 9.733 223 HG13 ILE 31 HG13 ILE 31 7.073 -3.372 11.211 224 HG21 ILE 31 HG21 ILE 31 8.843 -2.622 7.402 225 HG22 ILE 31 HG22 ILE 31 7.169 -2.142 7.694 226 HG23 ILE 31 HG23 ILE 31 7.589 -3.853 7.577 227 HD11 ILE 31 HD11 ILE 31 5.694 -1.694 9.124 228 HD12 ILE 31 HD12 ILE 31 6.400 -1.107 10.630 229 HD13 ILE 31 HD13 ILE 31 5.008 -2.189 10.671 230 H VAL 32 H VAL 32 10.606 -5.168 7.940 231 HA VAL 32 HA VAL 32 12.920 -3.444 8.381 232 HB VAL 32 HB VAL 32 14.154 -4.995 6.880 233 HG11 VAL 32 HG11 VAL 32 14.234 -6.842 8.488 234 HG12 VAL 32 HG12 VAL 32 12.745 -6.254 9.228 235 HG13 VAL 32 HG13 VAL 32 14.208 -5.270 9.289 236 HG21 VAL 32 HG21 VAL 32 13.155 -7.184 6.342 237 HG22 VAL 32 HG22 VAL 32 12.328 -5.857 5.522 238 HG23 VAL 32 HG23 VAL 32 11.599 -6.606 6.943 239 H SER 33 H SER 33 10.364 -3.920 6.150 240 HA SER 33 HA SER 33 10.872 -1.578 4.670 241 HB2 SER 33 HB2 SER 33 12.647 -3.128 3.683 242 HB3 SER 33 HB3 SER 33 11.319 -4.111 3.066 243 HG SER 33 HG SER 33 11.728 -1.358 2.471 244 H VAL 34 H VAL 34 9.264 -1.463 2.774 245 HA VAL 34 HA VAL 34 6.999 -3.251 3.191 246 HB VAL 34 HB VAL 34 6.487 -1.310 4.538 247 HG11 VAL 34 HG11 VAL 34 6.842 0.315 2.045 248 HG12 VAL 34 HG12 VAL 34 7.871 0.343 3.478 249 HG13 VAL 34 HG13 VAL 34 6.204 0.915 3.577 250 HG21 VAL 34 HG21 VAL 34 4.361 -0.601 3.560 251 HG22 VAL 34 HG22 VAL 34 4.601 -2.344 3.428 252 HG23 VAL 34 HG23 VAL 34 4.840 -1.311 2.018 253 H ASP 35 H ASP 35 5.754 -3.642 1.464 254 HA ASP 35 HA ASP 35 6.918 -3.018 -1.158 255 HB2 ASP 35 HB2 ASP 35 7.149 -5.349 -0.599 256 HB3 ASP 35 HB3 ASP 35 5.480 -5.448 -0.068 257 H TRP 36 H TRP 36 5.632 -2.131 -2.684 258 HA TRP 36 HA TRP 36 2.792 -1.907 -2.047 259 HB2 TRP 36 HB2 TRP 36 2.980 0.063 -3.818 260 HB3 TRP 36 HB3 TRP 36 3.269 0.302 -2.106 261 HD1 TRP 36 HD1 TRP 36 5.793 0.779 -1.339 262 HE1 TRP 36 HE1 TRP 36 7.830 1.685 -2.629 263 HE3 TRP 36 HE3 TRP 36 4.141 0.002 -6.123 264 HZ2 TRP 36 HZ2 TRP 36 8.622 2.032 -5.305 265 HZ3 TRP 36 HZ3 TRP 36 5.600 0.657 -7.985 266 HH2 TRP 36 HH2 TRP 36 7.790 1.650 -7.584 267 H ASN 37 H ASN 37 1.404 -2.829 -3.246 268 HA ASN 37 HA ASN 37 2.089 -3.823 -5.915 269 HB2 ASN 37 HB2 ASN 37 2.603 -5.365 -3.752 270 HB3 ASN 37 HB3 ASN 37 0.904 -5.749 -3.960 271 HD21 ASN 37 HD21 ASN 37 3.539 -7.177 -4.297 272 HD22 ASN 37 HD22 ASN 37 3.411 -7.945 -5.842 273 H ALA 38 H ALA 38 -0.087 -5.106 -6.696 274 HA ALA 38 HA ALA 38 -2.523 -4.212 -5.435 275 HB1 ALA 38 HB1 ALA 38 -3.402 -2.972 -7.337 276 HB2 ALA 38 HB2 ALA 38 -1.891 -3.211 -8.216 277 HB3 ALA 38 HB3 ALA 38 -1.914 -2.227 -6.751 278 H ILE 39 H ILE 39 -4.472 -5.000 -6.621 279 HA ILE 39 HA ILE 39 -3.963 -7.504 -8.117 280 HB ILE 39 HB ILE 39 -6.344 -6.933 -6.315 281 HG12 ILE 39 HG12 ILE 39 -3.918 -8.632 -5.684 282 HG13 ILE 39 HG13 ILE 39 -4.207 -7.020 -5.040 283 HG21 ILE 39 HG21 ILE 39 -6.720 -9.358 -6.457 284 HG22 ILE 39 HG22 ILE 39 -5.351 -9.495 -7.563 285 HG23 ILE 39 HG23 ILE 39 -6.785 -8.586 -8.043 286 HD11 ILE 39 HD11 ILE 39 -6.202 -7.827 -3.901 287 HD12 ILE 39 HD12 ILE 39 -4.772 -8.745 -3.426 288 HD13 ILE 39 HD13 ILE 39 -5.930 -9.440 -4.559 289 H ASN 40 H ASN 40 -5.309 -7.859 -9.979 290 HA ASN 40 HA ASN 40 -6.331 -5.335 -11.022 291 HB2 ASN 40 HB2 ASN 40 -4.594 -6.675 -12.235 292 HB3 ASN 40 HB3 ASN 40 -5.817 -7.915 -12.495 293 HD21 ASN 40 HD21 ASN 40 -5.047 -4.539 -13.101 294 HD22 ASN 40 HD22 ASN 40 -5.934 -4.425 -14.579 295 H LYS 41 H LYS 41 -8.356 -4.911 -11.533 296 HA LYS 41 HA LYS 41 -10.489 -6.644 -10.671 297 HB2 LYS 41 HB2 LYS 41 -10.553 -4.187 -10.366 298 HB3 LYS 41 HB3 LYS 41 -10.582 -3.981 -12.111 299 HG2 LYS 41 HG2 LYS 41 -12.732 -5.289 -12.115 300 HG3 LYS 41 HG3 LYS 41 -12.715 -5.159 -10.356 301 HD2 LYS 41 HD2 LYS 41 -12.752 -2.735 -10.509 302 HD3 LYS 41 HD3 LYS 41 -12.685 -2.826 -12.271 303 HE2 LYS 41 HE2 LYS 41 -14.816 -3.987 -12.315 304 HE3 LYS 41 HE3 LYS 41 -14.887 -3.965 -10.555 305 HZ1 LYS 41 HZ1 LYS 41 -15.001 -1.562 -10.615 306 HZ2 LYS 41 HZ2 LYS 41 -16.247 -2.228 -11.550 307 HZ3 LYS 41 HZ3 LYS 41 -14.887 -1.569 -12.308 308 H ASP 42 H ASP 42 -9.108 -5.642 -13.713 309 HA ASP 42 HA ASP 42 -11.312 -6.120 -15.403 310 HB2 ASP 42 HB2 ASP 42 -9.463 -4.615 -15.951 311 HB3 ASP 42 HB3 ASP 42 -8.357 -5.977 -16.038 312 H GLY 43 H GLY 43 -8.654 -8.172 -14.369 313 HA2 GLY 43 HA2 GLY 43 -9.341 -10.561 -14.173 314 HA3 GLY 43 HA3 GLY 43 -9.904 -10.412 -15.831 315 H GLY 44 H GLY 44 -7.007 -8.802 -14.877 316 HA2 GLY 44 HA2 GLY 44 -5.421 -10.653 -16.486 317 HA3 GLY 44 HA3 GLY 44 -4.910 -9.070 -15.907 318 H ASP 45 H ASP 45 -2.994 -9.859 -15.028 319 HA ASP 45 HA ASP 45 -3.317 -11.677 -12.750 320 HB2 ASP 45 HB2 ASP 45 -1.440 -11.675 -14.774 321 HB3 ASP 45 HB3 ASP 45 -0.578 -10.898 -13.446 322 H ASP 46 H ASP 46 -1.201 -10.946 -11.164 323 HA ASP 46 HA ASP 46 -2.269 -8.579 -9.907 324 HB2 ASP 46 HB2 ASP 46 -0.144 -10.567 -9.219 325 HB3 ASP 46 HB3 ASP 46 -0.167 -9.023 -8.379 326 H LYS 47 H LYS 47 -0.699 -6.888 -9.089 327 HA LYS 47 HA LYS 47 0.478 -5.489 -11.234 328 HB2 LYS 47 HB2 LYS 47 -0.347 -4.371 -9.235 329 HB3 LYS 47 HB3 LYS 47 0.853 -5.185 -8.248 330 HG2 LYS 47 HG2 LYS 47 1.587 -2.969 -8.541 331 HG3 LYS 47 HG3 LYS 47 2.617 -3.980 -9.554 332 HD2 LYS 47 HD2 LYS 47 2.066 -2.052 -10.835 333 HD3 LYS 47 HD3 LYS 47 1.123 -3.392 -11.487 334 HE2 LYS 47 HE2 LYS 47 -0.268 -1.419 -11.343 335 HE3 LYS 47 HE3 LYS 47 -0.826 -2.623 -10.182 336 HZ1 LYS 47 HZ1 LYS 47 -0.733 -0.286 -9.355 337 HZ2 LYS 47 HZ2 LYS 47 0.963 -0.374 -9.451 338 HZ3 LYS 47 HZ3 LYS 47 0.123 -1.400 -8.404 339 H ASP 48 H ASP 48 1.883 -7.465 -8.675 340 HA ASP 48 HA ASP 48 4.577 -7.338 -9.135 341 HB2 ASP 48 HB2 ASP 48 3.410 -8.577 -7.322 342 HB3 ASP 48 HB3 ASP 48 2.932 -9.795 -8.496 343 H THR 49 H THR 49 2.298 -9.575 -10.686 344 HA THR 49 HA THR 49 4.201 -10.733 -12.430 345 HB THR 49 HB THR 49 1.215 -10.673 -12.847 346 HG1 THR 49 HG1 THR 49 1.125 -12.467 -11.462 347 HG21 THR 49 HG21 THR 49 1.614 -12.875 -13.874 348 HG22 THR 49 HG22 THR 49 3.343 -12.702 -13.572 349 HG23 THR 49 HG23 THR 49 2.528 -11.610 -14.693 350 H LEU 50 H LEU 50 1.684 -8.239 -12.990 351 HA LEU 50 HA LEU 50 2.008 -8.182 -15.798 352 HB2 LEU 50 HB2 LEU 50 0.692 -6.199 -13.952 353 HB3 LEU 50 HB3 LEU 50 0.665 -6.058 -15.698 354 HG LEU 50 HG LEU 50 -0.607 -8.226 -14.022 355 HD11 LEU 50 HD11 LEU 50 -1.848 -6.138 -14.141 356 HD12 LEU 50 HD12 LEU 50 -2.672 -7.416 -15.036 357 HD13 LEU 50 HD13 LEU 50 -1.763 -6.178 -15.903 358 HD21 LEU 50 HD21 LEU 50 -0.411 -8.035 -17.029 359 HD22 LEU 50 HD22 LEU 50 -1.408 -9.186 -16.137 360 HD23 LEU 50 HD23 LEU 50 0.349 -9.257 -16.006 361 H SER 51 H SER 51 3.548 -6.261 -13.277 362 HA SER 51 HA SER 51 4.621 -4.282 -15.012 363 HB2 SER 51 HB2 SER 51 6.137 -3.766 -13.098 364 HB3 SER 51 HB3 SER 51 4.433 -3.825 -12.652 365 HG SER 51 HG SER 51 4.807 -5.487 -11.410 366 H ARG 52 H ARG 52 5.852 -7.386 -13.840 367 HA ARG 52 HA ARG 52 8.429 -7.079 -15.105 368 HB2 ARG 52 HB2 ARG 52 7.086 -9.416 -13.748 369 HB3 ARG 52 HB3 ARG 52 8.716 -9.479 -14.403 370 HG2 ARG 52 HG2 ARG 52 9.356 -7.646 -12.869 371 HG3 ARG 52 HG3 ARG 52 7.739 -7.717 -12.164 372 HD2 ARG 52 HD2 ARG 52 9.631 -10.060 -12.278 373 HD3 ARG 52 HD3 ARG 52 9.507 -8.970 -10.899 374 HE ARG 52 HE ARG 52 7.171 -9.726 -10.679 375 HH11 ARG 52 HH11 ARG 52 9.347 -11.741 -12.571 376 HH12 ARG 52 HH12 ARG 52 8.491 -13.212 -12.211 377 HH21 ARG 52 HH21 ARG 52 6.065 -11.658 -10.195 378 HH22 ARG 52 HH22 ARG 52 6.611 -13.161 -10.886 379 H ASN 53 H ASN 53 5.355 -8.383 -15.949 380 HA ASN 53 HA ASN 53 6.282 -10.110 -18.057 381 HB2 ASN 53 HB2 ASN 53 3.979 -9.958 -16.558 382 HB3 ASN 53 HB3 ASN 53 3.457 -9.300 -18.107 383 HD21 ASN 53 HD21 ASN 53 4.559 -12.083 -16.400 384 HD22 ASN 53 HD22 ASN 53 4.237 -13.234 -17.644 385 H GLY 54 H GLY 54 5.133 -6.850 -17.763 386 HA2 GLY 54 HA2 GLY 54 5.119 -5.125 -19.331 387 HA3 GLY 54 HA3 GLY 54 5.664 -6.274 -20.548 388 H GLY 55 H GLY 55 2.819 -6.170 -18.425 389 HA2 GLY 55 HA2 GLY 55 1.076 -5.934 -20.763 390 HA3 GLY 55 HA3 GLY 55 0.885 -7.349 -19.740 391 H TYR 56 H TYR 56 1.456 -3.922 -19.051 392 HA TYR 56 HA TYR 56 -0.116 -3.813 -16.744 393 HB2 TYR 56 HB2 TYR 56 1.713 -2.202 -17.698 394 HB3 TYR 56 HB3 TYR 56 0.341 -1.373 -18.424 395 HD1 TYR 56 HD2 TYR 56 1.425 -2.738 -15.132 396 HD2 TYR 56 HD1 TYR 56 -0.652 0.344 -17.198 397 HE1 TYR 56 HE2 TYR 56 1.061 -1.566 -13.009 398 HE2 TYR 56 HE1 TYR 56 -1.020 1.531 -15.075 399 HH TYR 56 HH TYR 56 -1.104 0.929 -12.589 400 H LYS 57 H LYS 57 -1.976 -2.179 -16.471 401 HA LYS 57 HA LYS 57 -4.016 -2.468 -18.490 402 HB2 LYS 57 HB2 LYS 57 -3.988 -4.666 -17.326 403 HB3 LYS 57 HB3 LYS 57 -4.249 -3.840 -15.798 404 HG2 LYS 57 HG2 LYS 57 -6.351 -4.648 -16.401 405 HG3 LYS 57 HG3 LYS 57 -6.392 -2.942 -16.840 406 HD2 LYS 57 HD2 LYS 57 -7.383 -4.189 -18.628 407 HD3 LYS 57 HD3 LYS 57 -5.810 -3.606 -19.178 408 HE2 LYS 57 HE2 LYS 57 -4.826 -5.786 -18.737 409 HE3 LYS 57 HE3 LYS 57 -6.363 -6.371 -18.105 410 HZ1 LYS 57 HZ1 LYS 57 -6.025 -7.099 -20.368 411 HZ2 LYS 57 HZ2 LYS 57 -5.856 -5.495 -20.893 412 HZ3 LYS 57 HZ3 LYS 57 -7.342 -6.035 -20.285 413 H MET 58 H MET 58 -5.360 -0.755 -18.343 414 HA MET 58 HA MET 58 -6.165 0.130 -15.660 415 HB2 MET 58 HB2 MET 58 -5.590 1.962 -18.004 416 HB3 MET 58 HB3 MET 58 -6.564 2.439 -16.634 417 HG2 MET 58 HG2 MET 58 -4.688 2.214 -15.147 418 HG3 MET 58 HG3 MET 58 -3.684 1.590 -16.456 419 HE1 MET 58 HE1 MET 58 -3.312 4.698 -18.788 420 HE2 MET 58 HE2 MET 58 -4.477 3.377 -18.901 421 HE3 MET 58 HE3 MET 58 -2.800 3.039 -18.474 422 H VAL 59 H VAL 59 -8.395 0.156 -15.465 423 HA VAL 59 HA VAL 59 -9.889 -0.607 -17.801 424 HB VAL 59 HB VAL 59 -11.840 -0.872 -16.452 425 HG11 VAL 59 HG11 VAL 59 -11.059 -2.429 -14.717 426 HG12 VAL 59 HG12 VAL 59 -9.412 -1.847 -14.966 427 HG13 VAL 59 HG13 VAL 59 -10.261 -2.674 -16.273 428 HG21 VAL 59 HG21 VAL 59 -11.690 1.154 -15.102 429 HG22 VAL 59 HG22 VAL 59 -10.364 0.445 -14.177 430 HG23 VAL 59 HG23 VAL 59 -11.975 -0.271 -14.104 431 H GLU 60 H GLU 60 -9.035 2.272 -16.276 432 HA GLU 60 HA GLU 60 -10.686 3.732 -18.202 433 HB2 GLU 60 HB2 GLU 60 -10.028 4.679 -15.402 434 HB3 GLU 60 HB3 GLU 60 -10.768 5.672 -16.649 435 HG2 GLU 60 HG2 GLU 60 -12.506 3.655 -16.661 436 HG3 GLU 60 HG3 GLU 60 -11.929 3.503 -15.006 437 H TYR 61 H TYR 61 -9.478 4.684 -19.622 438 HA TYR 61 HA TYR 61 -6.605 4.661 -19.219 439 HB2 TYR 61 HB2 TYR 61 -8.312 5.156 -21.659 440 HB3 TYR 61 HB3 TYR 61 -6.556 5.242 -21.670 441 HD1 TYR 61 HD1 TYR 61 -5.217 3.228 -21.498 442 HD2 TYR 61 HD2 TYR 61 -9.466 3.021 -21.505 443 HE1 TYR 61 HE1 TYR 61 -5.091 0.826 -21.984 444 HE2 TYR 61 HE2 TYR 61 -9.354 0.612 -21.988 445 HH TYR 61 HH TYR 61 -6.398 -1.161 -21.825 446 H GLY 62 H GLY 62 -7.311 6.484 -17.563 447 HA2 GLY 62 HA2 GLY 62 -7.206 9.136 -18.763 448 HA3 GLY 62 HA3 GLY 62 -7.273 8.763 -17.045 449 H GLY 63 H GLY 63 -5.064 6.735 -17.561 450 HA2 GLY 63 HA2 GLY 63 -2.760 6.627 -17.654 451 HA3 GLY 63 HA3 GLY 63 -2.755 8.236 -18.365 452 H ALA 64 H ALA 64 -4.334 7.590 -15.356 453 HA ALA 64 HA ALA 64 -2.282 9.166 -13.972 454 HB1 ALA 64 HB1 ALA 64 -4.052 10.057 -12.556 455 HB2 ALA 64 HB2 ALA 64 -5.248 9.102 -13.432 456 HB3 ALA 64 HB3 ALA 64 -4.384 10.402 -14.254 457 H GLN 65 H GLN 65 -1.223 8.036 -12.533 458 HA GLN 65 HA GLN 65 -2.405 5.593 -11.511 459 HB2 GLN 65 HB2 GLN 65 0.343 6.561 -11.907 460 HB3 GLN 65 HB3 GLN 65 0.102 5.642 -10.431 461 HG2 GLN 65 HG2 GLN 65 0.862 4.264 -12.326 462 HG3 GLN 65 HG3 GLN 65 -0.689 3.742 -11.677 463 HE21 GLN 65 HE21 GLN 65 -2.535 3.927 -12.935 464 HE22 GLN 65 HE22 GLN 65 -2.465 4.250 -14.634 465 H ALA 66 H ALA 66 -3.929 6.487 -10.215 466 HA ALA 66 HA ALA 66 -3.101 7.819 -7.753 467 HB1 ALA 66 HB1 ALA 66 -5.149 8.571 -8.854 468 HB2 ALA 66 HB2 ALA 66 -5.498 7.913 -7.256 469 HB3 ALA 66 HB3 ALA 66 -5.837 6.954 -8.697 470 H GLU 67 H GLU 67 -2.327 5.127 -8.527 471 HA GLU 67 HA GLU 67 -3.304 3.521 -6.271 472 HB2 GLU 67 HB2 GLU 67 -2.499 1.589 -7.678 473 HB3 GLU 67 HB3 GLU 67 -3.838 2.484 -8.389 474 HG2 GLU 67 HG2 GLU 67 -2.094 3.769 -9.700 475 HG3 GLU 67 HG3 GLU 67 -0.937 2.556 -9.156 476 H TRP 68 H TRP 68 -1.337 1.754 -5.877 477 HA TRP 68 HA TRP 68 0.869 3.472 -5.121 478 HB2 TRP 68 HB2 TRP 68 0.452 0.554 -4.441 479 HB3 TRP 68 HB3 TRP 68 1.671 1.624 -3.746 480 HD1 TRP 68 HD1 TRP 68 -1.257 0.167 -2.558 481 HE1 TRP 68 HE1 TRP 68 -2.698 1.688 -1.065 482 HE3 TRP 68 HE3 TRP 68 0.879 4.684 -3.673 483 HZ2 TRP 68 HZ2 TRP 68 -2.889 4.447 -0.447 484 HZ3 TRP 68 HZ3 TRP 68 0.020 6.694 -2.573 485 HH2 TRP 68 HH2 TRP 68 -1.822 6.577 -1.002 486 H HIS 69 H HIS 69 1.917 3.985 -6.842 487 HA HIS 69 HA HIS 69 3.731 2.028 -7.978 488 HB2 HIS 69 HB2 HIS 69 1.737 2.008 -9.498 489 HB3 HIS 69 HB3 HIS 69 1.944 3.734 -9.753 490 HD1 HIS 69 HD1 HIS 69 3.329 4.378 -11.721 491 HD2 HIS 69 HD2 HIS 69 4.077 0.475 -10.486 492 HE1 HIS 69 HE1 HIS 69 4.866 3.408 -13.454 493 HE2 HIS 69 HE2 HIS 69 5.164 1.004 -12.782 494 H GLU 70 H GLU 70 2.565 5.396 -8.092 495 HA GLU 70 HA GLU 70 5.125 6.342 -9.037 496 HB2 GLU 70 HB2 GLU 70 2.409 7.282 -9.048 497 HB3 GLU 70 HB3 GLU 70 3.459 8.533 -8.394 498 HG2 GLU 70 HG2 GLU 70 3.080 8.656 -10.847 499 HG3 GLU 70 HG3 GLU 70 4.776 8.580 -10.359 500 H GLN 71 H GLN 71 3.105 7.701 -6.437 501 HA GLN 71 HA GLN 71 5.501 8.809 -5.253 502 HB2 GLN 71 HB2 GLN 71 2.614 9.235 -4.481 503 HB3 GLN 71 HB3 GLN 71 3.987 10.174 -3.914 504 HG2 GLN 71 HG2 GLN 71 3.062 10.004 -6.777 505 HG3 GLN 71 HG3 GLN 71 2.683 11.315 -5.672 506 HE21 GLN 71 HE21 GLN 71 3.621 12.813 -7.032 507 HE22 GLN 71 HE22 GLN 71 5.330 12.981 -7.212 508 H ALA 72 H ALA 72 3.899 5.990 -4.890 509 HA ALA 72 HA ALA 72 3.781 5.536 -2.129 510 HB1 ALA 72 HB1 ALA 72 3.696 3.182 -2.707 511 HB2 ALA 72 HB2 ALA 72 4.240 3.558 -4.342 512 HB3 ALA 72 HB3 ALA 72 2.671 4.135 -3.782 513 H GLU 73 H GLU 73 6.525 5.486 -4.317 514 HA GLU 73 HA GLU 73 8.374 4.062 -2.717 515 HB2 GLU 73 HB2 GLU 73 8.668 4.576 -5.123 516 HB3 GLU 73 HB3 GLU 73 8.894 6.269 -4.717 517 HG2 GLU 73 HG2 GLU 73 10.784 5.178 -3.156 518 HG3 GLU 73 HG3 GLU 73 10.746 3.994 -4.464 519 H LYS 74 H LYS 74 7.308 7.412 -2.675 520 HA LYS 74 HA LYS 74 9.441 8.375 -0.996 521 HB2 LYS 74 HB2 LYS 74 6.749 9.715 -1.283 522 HB3 LYS 74 HB3 LYS 74 8.313 10.459 -0.993 523 HG2 LYS 74 HG2 LYS 74 7.384 9.204 -3.573 524 HG3 LYS 74 HG3 LYS 74 7.527 10.928 -3.242 525 HD2 LYS 74 HD2 LYS 74 9.911 10.774 -3.119 526 HD3 LYS 74 HD3 LYS 74 9.856 9.010 -3.159 527 HE2 LYS 74 HE2 LYS 74 8.805 9.189 -5.426 528 HE3 LYS 74 HE3 LYS 74 9.128 10.921 -5.373 529 HZ1 LYS 74 HZ1 LYS 74 11.181 8.778 -5.200 530 HZ2 LYS 74 HZ2 LYS 74 11.481 10.447 -5.183 531 HZ3 LYS 74 HZ3 LYS 74 10.846 9.717 -6.572 532 H VAL 75 H VAL 75 6.210 7.166 -0.608 533 HA VAL 75 HA VAL 75 5.935 7.740 2.170 534 HB VAL 75 HB VAL 75 4.281 5.812 0.538 535 HG11 VAL 75 HG11 VAL 75 3.630 7.452 2.989 536 HG12 VAL 75 HG12 VAL 75 3.918 5.711 2.953 537 HG13 VAL 75 HG13 VAL 75 2.517 6.392 2.125 538 HG21 VAL 75 HG21 VAL 75 3.955 8.795 0.848 539 HG22 VAL 75 HG22 VAL 75 2.805 7.710 0.067 540 HG23 VAL 75 HG23 VAL 75 4.409 7.944 -0.630 541 H GLU 76 H GLU 76 7.068 4.938 0.322 542 HA GLU 76 HA GLU 76 6.797 3.018 2.366 543 HB2 GLU 76 HB2 GLU 76 8.131 1.538 1.071 544 HB3 GLU 76 HB3 GLU 76 7.183 2.477 -0.069 545 HG2 GLU 76 HG2 GLU 76 9.064 3.760 -0.700 546 HG3 GLU 76 HG3 GLU 76 10.029 3.135 0.635 547 H ALA 77 H ALA 77 9.486 5.185 1.582 548 HA ALA 77 HA ALA 77 11.326 4.254 3.486 549 HB1 ALA 77 HB1 ALA 77 11.936 5.717 1.638 550 HB2 ALA 77 HB2 ALA 77 12.425 6.417 3.183 551 HB3 ALA 77 HB3 ALA 77 10.991 7.023 2.352 552 H TYR 78 H TYR 78 8.643 6.477 3.709 553 HA TYR 78 HA TYR 78 9.226 7.485 6.308 554 HB2 TYR 78 HB2 TYR 78 7.775 8.566 4.511 555 HB3 TYR 78 HB3 TYR 78 6.512 7.432 4.990 556 HD1 TYR 78 HD2 TYR 78 8.578 10.274 6.112 557 HD2 TYR 78 HD1 TYR 78 5.243 7.781 6.988 558 HE1 TYR 78 HE2 TYR 78 7.893 11.821 7.894 559 HE2 TYR 78 HE1 TYR 78 4.552 9.323 8.770 560 HH TYR 78 HH TYR 78 5.941 12.430 9.147 561 H LEU 79 H LEU 79 7.308 4.752 5.106 562 HA LEU 79 HA LEU 79 6.052 4.135 7.584 563 HB2 LEU 79 HB2 LEU 79 5.388 3.392 5.228 564 HB3 LEU 79 HB3 LEU 79 6.645 2.188 5.355 565 HG LEU 79 HG LEU 79 4.181 1.526 5.798 566 HD11 LEU 79 HD11 LEU 79 6.338 0.680 7.716 567 HD12 LEU 79 HD12 LEU 79 6.008 -0.009 6.125 568 HD13 LEU 79 HD13 LEU 79 4.824 -0.176 7.422 569 HD21 LEU 79 HD21 LEU 79 3.482 1.683 8.151 570 HD22 LEU 79 HD22 LEU 79 3.598 3.261 7.370 571 HD23 LEU 79 HD23 LEU 79 4.866 2.732 8.476 572 H VAL 80 H VAL 80 9.094 3.169 6.095 573 HA VAL 80 HA VAL 80 9.785 1.228 8.060 574 HB VAL 80 HB VAL 80 11.626 2.717 6.163 575 HG11 VAL 80 HG11 VAL 80 12.056 0.110 7.621 576 HG12 VAL 80 HG12 VAL 80 12.857 1.639 7.982 577 HG13 VAL 80 HG13 VAL 80 13.153 0.830 6.442 578 HG21 VAL 80 HG21 VAL 80 10.270 0.040 5.843 579 HG22 VAL 80 HG22 VAL 80 11.435 0.751 4.724 580 HG23 VAL 80 HG23 VAL 80 9.866 1.519 4.970 581 H GLU 81 H GLU 81 10.377 4.750 7.829 582 HA GLU 81 HA GLU 81 12.147 4.735 10.098 583 HB2 GLU 81 HB2 GLU 81 12.180 7.125 9.994 584 HB3 GLU 81 HB3 GLU 81 12.307 6.496 8.360 585 HG2 GLU 81 HG2 GLU 81 10.106 7.143 7.834 586 HG3 GLU 81 HG3 GLU 81 9.701 7.420 9.525 587 H LYS 82 H LYS 82 8.693 4.953 9.710 588 HA LYS 82 HA LYS 82 8.255 5.969 12.377 589 HB2 LYS 82 HB2 LYS 82 6.363 4.849 10.305 590 HB3 LYS 82 HB3 LYS 82 5.833 5.434 11.869 591 HG2 LYS 82 HG2 LYS 82 7.400 7.211 10.047 592 HG3 LYS 82 HG3 LYS 82 5.680 6.961 9.782 593 HD2 LYS 82 HD2 LYS 82 5.812 8.919 11.057 594 HD3 LYS 82 HD3 LYS 82 5.364 7.664 12.206 595 HE2 LYS 82 HE2 LYS 82 7.661 7.534 12.991 596 HE3 LYS 82 HE3 LYS 82 8.156 8.734 11.797 597 HZ1 LYS 82 HZ1 LYS 82 6.166 9.242 13.944 598 HZ2 LYS 82 HZ2 LYS 82 6.828 10.379 12.877 599 HZ3 LYS 82 HZ3 LYS 82 7.807 9.652 14.050 600 H GLN 83 H GLN 83 8.326 2.858 10.796 601 HA GLN 83 HA GLN 83 8.107 0.704 11.434 602 HB2 GLN 83 HB2 GLN 83 8.766 1.863 14.137 603 HB3 GLN 83 HB3 GLN 83 8.510 0.141 13.886 604 HG2 GLN 83 HG2 GLN 83 10.575 1.779 12.437 605 HG3 GLN 83 HG3 GLN 83 10.885 0.826 13.890 606 HE21 GLN 83 HE21 GLN 83 10.155 0.721 10.498 607 HE22 GLN 83 HE22 GLN 83 10.551 -0.949 10.268 608 H ASP 84 H ASP 84 5.765 2.675 11.651 609 HA ASP 84 HA ASP 84 3.911 0.907 13.014 610 HB2 ASP 84 HB2 ASP 84 4.669 2.522 14.735 611 HB3 ASP 84 HB3 ASP 84 4.156 3.852 13.699 612 HA PRO 85 HA PRO 85 1.823 1.899 9.178 613 HB2 PRO 85 HB2 PRO 85 -0.408 0.454 9.698 614 HB3 PRO 85 HB3 PRO 85 1.136 -0.273 9.245 615 HG2 PRO 85 HG2 PRO 85 -0.031 0.101 11.987 616 HG3 PRO 85 HG3 PRO 85 0.664 -1.366 11.260 617 HD2 PRO 85 HD2 PRO 85 2.126 0.140 12.886 618 HD3 PRO 85 HD3 PRO 85 2.839 -0.567 11.422 619 H THR 86 H THR 86 0.813 3.045 12.251 620 HA THR 86 HA THR 86 -1.422 4.472 10.983 621 HB THR 86 HB THR 86 -2.342 2.717 12.392 622 HG1 THR 86 HG1 THR 86 -2.736 5.397 13.039 623 HG21 THR 86 HG21 THR 86 -0.873 4.007 14.683 624 HG22 THR 86 HG22 THR 86 -0.547 2.418 13.991 625 HG23 THR 86 HG23 THR 86 -2.072 2.724 14.824 626 H ASP 87 H ASP 87 1.566 4.998 12.065 627 HA ASP 87 HA ASP 87 1.020 7.394 13.632 628 HB2 ASP 87 HB2 ASP 87 3.017 5.796 14.018 629 HB3 ASP 87 HB3 ASP 87 3.741 6.577 12.615 630 H ILE 88 H ILE 88 -0.081 8.688 12.180 631 HA ILE 88 HA ILE 88 1.414 10.237 10.339 632 HB ILE 88 HB ILE 88 1.142 8.125 9.024 633 HG12 ILE 88 HG12 ILE 88 0.221 9.191 6.949 634 HG13 ILE 88 HG13 ILE 88 -0.240 10.578 7.932 635 HG21 ILE 88 HG21 ILE 88 -1.800 8.754 9.114 636 HG22 ILE 88 HG22 ILE 88 -0.996 7.363 9.843 637 HG23 ILE 88 HG23 ILE 88 -1.044 7.534 8.088 638 HD11 ILE 88 HD11 ILE 88 1.849 10.974 6.765 639 HD12 ILE 88 HD12 ILE 88 2.558 9.551 7.527 640 HD13 ILE 88 HD13 ILE 88 2.102 10.942 8.511 641 H LYS 89 H LYS 89 0.241 12.107 9.709 642 HA LYS 89 HA LYS 89 -2.599 12.199 10.447 643 HB2 LYS 89 HB2 LYS 89 -0.699 13.443 11.957 644 HB3 LYS 89 HB3 LYS 89 -1.114 14.722 10.823 645 HG2 LYS 89 HG2 LYS 89 -2.463 14.916 12.818 646 HG3 LYS 89 HG3 LYS 89 -3.486 14.477 11.446 647 HD2 LYS 89 HD2 LYS 89 -3.486 12.156 12.157 648 HD3 LYS 89 HD3 LYS 89 -2.389 12.536 13.482 649 HE2 LYS 89 HE2 LYS 89 -4.586 12.359 14.386 650 HE3 LYS 89 HE3 LYS 89 -4.148 14.066 14.387 651 HZ1 LYS 89 HZ1 LYS 89 -5.783 12.783 12.268 652 HZ2 LYS 89 HZ2 LYS 89 -5.506 14.443 12.484 653 HZ3 LYS 89 HZ3 LYS 89 -6.439 13.583 13.608 654 H TYR 90 H TYR 90 -3.904 13.372 9.098 655 HA TYR 90 HA TYR 90 -2.612 14.382 6.643 656 HB2 TYR 90 HB2 TYR 90 -5.460 13.363 6.771 657 HB3 TYR 90 HB3 TYR 90 -4.482 13.682 5.350 658 HD1 TYR 90 HD2 TYR 90 -2.259 12.239 5.186 659 HD2 TYR 90 HD1 TYR 90 -5.710 11.172 7.427 660 HE1 TYR 90 HE2 TYR 90 -1.561 9.875 5.107 661 HE2 TYR 90 HE1 TYR 90 -5.033 8.813 7.364 662 HH TYR 90 HH TYR 90 -3.678 7.337 6.102 663 H LYS 91 H LYS 91 -3.585 16.110 5.574 664 HA LYS 91 HA LYS 91 -5.713 17.567 6.947 665 HB2 LYS 91 HB2 LYS 91 -4.326 19.678 5.940 666 HB3 LYS 91 HB3 LYS 91 -4.228 19.143 7.605 667 HG2 LYS 91 HG2 LYS 91 -2.016 19.503 6.952 668 HG3 LYS 91 HG3 LYS 91 -2.213 17.759 6.879 669 HD2 LYS 91 HD2 LYS 91 -0.950 18.462 4.971 670 HD3 LYS 91 HD3 LYS 91 -2.547 17.971 4.410 671 HE2 LYS 91 HE2 LYS 91 -1.799 20.014 3.289 672 HE3 LYS 91 HE3 LYS 91 -3.230 20.314 4.272 673 HZ1 LYS 91 HZ1 LYS 91 -1.517 22.050 4.465 674 HZ2 LYS 91 HZ2 LYS 91 -0.450 20.920 5.142 675 HZ3 LYS 91 HZ3 LYS 91 -1.887 21.326 5.948 676 H ASP 92 H ASP 92 -7.272 16.908 5.408 677 HA ASP 92 HA ASP 92 -7.072 17.794 2.736 678 HB2 ASP 92 HB2 ASP 92 -5.374 15.869 2.881 679 HB3 ASP 92 HB3 ASP 92 -6.761 14.810 3.074 680 H ASN 93 H ASN 93 -8.810 16.453 1.393 681 HA ASN 93 HA ASN 93 -11.200 16.071 2.991 682 HB2 ASN 93 HB2 ASN 93 -10.789 15.771 0.003 683 HB3 ASN 93 HB3 ASN 93 -12.338 15.744 0.835 684 HD21 ASN 93 HD21 ASN 93 -9.914 17.675 -0.578 685 HD22 ASN 93 HD22 ASN 93 -10.590 19.222 -0.202 686 H ASP 94 H ASP 94 -8.592 14.187 1.833 687 HA ASP 94 HA ASP 94 -10.108 11.724 2.348 688 HB2 ASP 94 HB2 ASP 94 -9.611 12.138 -0.159 689 HB3 ASP 94 HB3 ASP 94 -7.937 11.838 0.268 690 H GLY 95 H GLY 95 -6.730 12.927 1.848 691 HA2 GLY 95 HA2 GLY 95 -5.638 11.688 4.071 692 HA3 GLY 95 HA3 GLY 95 -5.688 10.469 2.812 693 H HIS 96 H HIS 96 -5.040 13.917 2.284 694 HA HIS 96 HA HIS 96 -2.332 13.244 1.419 695 HB2 HIS 96 HB2 HIS 96 -3.920 15.806 1.258 696 HB3 HIS 96 HB3 HIS 96 -2.196 15.752 0.916 697 HD1 HIS 96 HD1 HIS 96 -5.129 15.954 -0.872 698 HD2 HIS 96 HD2 HIS 96 -1.885 13.375 -1.111 699 HE1 HIS 96 HE1 HIS 96 -5.167 15.056 -3.216 700 HE2 HIS 96 HE2 HIS 96 -3.116 13.622 -3.380 701 H THR 97 H THR 97 -0.559 13.787 2.507 702 HA THR 97 HA THR 97 -1.046 14.649 5.269 703 HB THR 97 HB THR 97 -0.377 12.384 5.324 704 HG1 THR 97 HG1 THR 97 0.741 13.281 6.930 705 HG21 THR 97 HG21 THR 97 1.689 11.545 4.266 706 HG22 THR 97 HG22 THR 97 1.892 13.112 3.479 707 HG23 THR 97 HG23 THR 97 0.492 12.105 3.099 708 H ASP 98 H ASP 98 0.351 16.040 6.261 709 HA ASP 98 HA ASP 98 1.752 17.884 4.529 710 HB2 ASP 98 HB2 ASP 98 0.223 18.442 6.545 711 HB3 ASP 98 HB3 ASP 98 1.611 18.012 7.535 712 H ALA 99 H ALA 99 2.495 15.172 6.444 713 HA ALA 99 HA ALA 99 5.121 16.032 7.278 714 HB1 ALA 99 HB1 ALA 99 3.728 14.705 8.774 715 HB2 ALA 99 HB2 ALA 99 5.243 13.878 8.404 716 HB3 ALA 99 HB3 ALA 99 3.747 13.373 7.618 717 H ILE 100 H ILE 100 3.795 13.617 4.989 718 HA ILE 100 HA ILE 100 6.495 12.886 4.196 719 HB ILE 100 HB ILE 100 3.982 11.936 2.817 720 HG12 ILE 100 HG12 ILE 100 5.368 10.586 5.146 721 HG13 ILE 100 HG13 ILE 100 3.878 11.512 5.296 722 HG21 ILE 100 HG21 ILE 100 6.101 11.529 1.657 723 HG22 ILE 100 HG22 ILE 100 5.403 10.012 2.226 724 HG23 ILE 100 HG23 ILE 100 6.752 10.741 3.096 725 HD11 ILE 100 HD11 ILE 100 2.750 9.951 3.812 726 HD12 ILE 100 HD12 ILE 100 3.446 9.124 5.206 727 HD13 ILE 100 HD13 ILE 100 4.245 9.032 3.637 728 H SER 101 H SER 101 7.452 14.453 3.125 729 HA SER 101 HA SER 101 6.269 15.976 1.026 730 HB2 SER 101 HB2 SER 101 9.202 15.469 1.613 731 HB3 SER 101 HB3 SER 101 8.553 16.755 0.598 732 HG SER 101 HG SER 101 8.807 16.644 3.305 733 H GLY 102 H GLY 102 5.789 15.287 -0.946 734 HA2 GLY 102 HA2 GLY 102 6.609 14.216 -2.993 735 HA3 GLY 102 HA3 GLY 102 7.231 12.923 -1.977 736 H ALA 103 H ALA 103 4.644 13.150 -0.329 737 HA ALA 103 HA ALA 103 3.142 11.291 -1.966 738 HB1 ALA 103 HB1 ALA 103 2.616 12.264 0.846 739 HB2 ALA 103 HB2 ALA 103 3.490 10.798 0.402 740 HB3 ALA 103 HB3 ALA 103 1.772 10.944 0.029 741 H THR 104 H THR 104 2.352 12.594 -3.622 742 HA THR 104 HA THR 104 0.437 14.687 -2.891 743 HB THR 104 HB THR 104 0.499 15.196 -5.385 744 HG1 THR 104 HG1 THR 104 2.592 14.376 -6.299 745 HG21 THR 104 HG21 THR 104 2.644 16.388 -5.227 746 HG22 THR 104 HG22 THR 104 3.070 15.425 -3.812 747 HG23 THR 104 HG23 THR 104 1.708 16.543 -3.739 748 H ILE 105 H ILE 105 0.433 11.469 -3.524 749 HA ILE 105 HA ILE 105 -2.339 11.528 -4.470 750 HB ILE 105 HB ILE 105 -0.661 10.110 -5.655 751 HG12 ILE 105 HG12 ILE 105 -3.190 9.572 -5.501 752 HG13 ILE 105 HG13 ILE 105 -2.099 8.383 -6.182 753 HG21 ILE 105 HG21 ILE 105 -0.565 8.500 -3.127 754 HG22 ILE 105 HG22 ILE 105 0.745 9.433 -3.852 755 HG23 ILE 105 HG23 ILE 105 0.117 8.009 -4.681 756 HD11 ILE 105 HD11 ILE 105 -2.168 7.130 -4.076 757 HD12 ILE 105 HD12 ILE 105 -3.770 7.338 -4.787 758 HD13 ILE 105 HD13 ILE 105 -3.281 8.328 -3.411 759 H LYS 106 H LYS 106 -4.015 10.592 -3.181 760 HA LYS 106 HA LYS 106 -3.904 10.956 -0.424 761 HB2 LYS 106 HB2 LYS 106 -5.795 9.048 -1.793 762 HB3 LYS 106 HB3 LYS 106 -6.066 9.945 -0.309 763 HG2 LYS 106 HG2 LYS 106 -7.028 11.555 -1.454 764 HG3 LYS 106 HG3 LYS 106 -5.539 11.815 -2.364 765 HD2 LYS 106 HD2 LYS 106 -7.065 11.366 -4.046 766 HD3 LYS 106 HD3 LYS 106 -6.334 9.789 -3.774 767 HE2 LYS 106 HE2 LYS 106 -8.923 10.641 -2.479 768 HE3 LYS 106 HE3 LYS 106 -8.857 9.844 -4.046 769 HZ1 LYS 106 HZ1 LYS 106 -7.949 8.739 -1.446 770 HZ2 LYS 106 HZ2 LYS 106 -7.709 7.973 -2.939 771 HZ3 LYS 106 HZ3 LYS 106 -9.279 8.225 -2.360 772 H VAL 107 H VAL 107 -2.661 9.963 0.904 773 HA VAL 107 HA VAL 107 -1.834 7.253 0.358 774 HB VAL 107 HB VAL 107 -0.383 9.374 0.805 775 HG11 VAL 107 HG11 VAL 107 -1.160 9.946 3.018 776 HG12 VAL 107 HG12 VAL 107 0.554 9.527 3.022 777 HG13 VAL 107 HG13 VAL 107 -0.639 8.366 3.609 778 HG21 VAL 107 HG21 VAL 107 0.341 7.240 0.151 779 HG22 VAL 107 HG22 VAL 107 0.233 6.664 1.814 780 HG23 VAL 107 HG23 VAL 107 1.415 7.902 1.382 781 H LYS 108 H LYS 108 -4.318 8.458 1.960 782 HA LYS 108 HA LYS 108 -4.235 7.308 4.512 783 HB2 LYS 108 HB2 LYS 108 -5.957 8.954 3.605 784 HB3 LYS 108 HB3 LYS 108 -6.731 7.570 2.840 785 HG2 LYS 108 HG2 LYS 108 -6.964 6.513 5.068 786 HG3 LYS 108 HG3 LYS 108 -6.279 7.969 5.789 787 HD2 LYS 108 HD2 LYS 108 -8.667 8.046 5.983 788 HD3 LYS 108 HD3 LYS 108 -8.143 9.273 4.829 789 HE2 LYS 108 HE2 LYS 108 -10.068 8.224 3.904 790 HE3 LYS 108 HE3 LYS 108 -8.675 7.642 2.995 791 HZ1 LYS 108 HZ1 LYS 108 -8.710 5.607 4.290 792 HZ2 LYS 108 HZ2 LYS 108 -10.214 5.855 3.546 793 HZ3 LYS 108 HZ3 LYS 108 -10.024 6.176 5.196 794 H LYS 109 H LYS 109 -5.059 5.974 1.348 795 HA LYS 109 HA LYS 109 -6.094 3.499 2.205 796 HB2 LYS 109 HB2 LYS 109 -6.270 4.470 -0.118 797 HB3 LYS 109 HB3 LYS 109 -4.593 4.009 -0.365 798 HG2 LYS 109 HG2 LYS 109 -5.473 2.105 -1.196 799 HG3 LYS 109 HG3 LYS 109 -5.631 1.666 0.496 800 HD2 LYS 109 HD2 LYS 109 -7.713 1.227 -0.602 801 HD3 LYS 109 HD3 LYS 109 -7.926 2.593 0.494 802 HE2 LYS 109 HE2 LYS 109 -9.051 2.999 -1.641 803 HE3 LYS 109 HE3 LYS 109 -7.731 4.141 -1.396 804 HZ1 LYS 109 HZ1 LYS 109 -7.856 3.197 -3.673 805 HZ2 LYS 109 HZ2 LYS 109 -7.500 1.678 -3.035 806 HZ3 LYS 109 HZ3 LYS 109 -6.366 2.926 -2.915 807 H PHE 110 H PHE 110 -2.765 4.531 1.467 808 HA PHE 110 HA PHE 110 -1.477 2.030 1.544 809 HB2 PHE 110 HB2 PHE 110 -0.270 3.936 0.675 810 HB3 PHE 110 HB3 PHE 110 -0.463 4.822 2.181 811 HD1 PHE 110 HD1 PHE 110 1.411 2.145 0.482 812 HD2 PHE 110 HD2 PHE 110 1.003 4.438 4.045 813 HE1 PHE 110 HE1 PHE 110 3.606 1.340 1.263 814 HE2 PHE 110 HE2 PHE 110 3.184 3.646 4.821 815 HZ PHE 110 HZ PHE 110 4.480 2.084 3.452 816 H PHE 111 H PHE 111 -1.997 4.446 4.049 817 HA PHE 111 HA PHE 111 -0.740 2.909 6.074 818 HB2 PHE 111 HB2 PHE 111 -2.328 5.454 6.055 819 HB3 PHE 111 HB3 PHE 111 -1.853 4.697 7.575 820 HD1 PHE 111 HD1 PHE 111 0.546 4.353 8.079 821 HD2 PHE 111 HD2 PHE 111 -0.707 6.707 4.725 822 HE1 PHE 111 HE1 PHE 111 2.774 5.375 7.961 823 HE2 PHE 111 HE2 PHE 111 1.527 7.713 4.631 824 HZ PHE 111 HZ PHE 111 3.265 7.057 6.240 825 H ASP 112 H ASP 112 -4.065 3.191 4.960 826 HA ASP 112 HA ASP 112 -5.299 1.847 7.136 827 HB2 ASP 112 HB2 ASP 112 -6.122 2.231 4.268 828 HB3 ASP 112 HB3 ASP 112 -7.069 1.240 5.363 829 H LEU 113 H LEU 113 -3.951 0.696 4.068 830 HA LEU 113 HA LEU 113 -4.666 -2.052 4.460 831 HB2 LEU 113 HB2 LEU 113 -2.794 -0.642 2.580 832 HB3 LEU 113 HB3 LEU 113 -2.837 -2.382 2.655 833 HG LEU 113 HG LEU 113 -4.639 -2.499 1.324 834 HD11 LEU 113 HD11 LEU 113 -6.215 -1.799 3.019 835 HD12 LEU 113 HD12 LEU 113 -6.634 -1.118 1.444 836 HD13 LEU 113 HD13 LEU 113 -5.859 -0.105 2.667 837 HD21 LEU 113 HD21 LEU 113 -4.925 -0.610 -0.169 838 HD22 LEU 113 HD22 LEU 113 -3.232 -1.000 0.131 839 HD23 LEU 113 HD23 LEU 113 -3.973 0.389 0.932 840 H ALA 114 H ALA 114 -1.836 -0.097 5.163 841 HA ALA 114 HA ALA 114 -0.115 -2.149 6.018 842 HB1 ALA 114 HB1 ALA 114 1.116 -0.372 7.146 843 HB2 ALA 114 HB2 ALA 114 -0.254 0.718 6.934 844 HB3 ALA 114 HB3 ALA 114 0.630 0.130 5.526 845 H GLN 115 H GLN 115 -2.587 -0.258 7.713 846 HA GLN 115 HA GLN 115 -2.194 -1.362 10.299 847 HB2 GLN 115 HB2 GLN 115 -4.533 0.020 8.995 848 HB3 GLN 115 HB3 GLN 115 -4.618 -0.573 10.648 849 HG2 GLN 115 HG2 GLN 115 -2.870 0.900 11.333 850 HG3 GLN 115 HG3 GLN 115 -2.550 1.378 9.671 851 HE21 GLN 115 HE21 GLN 115 -3.919 2.804 8.647 852 HE22 GLN 115 HE22 GLN 115 -5.094 3.749 9.497 853 H LYS 116 H LYS 116 -4.248 -2.278 7.570 854 HA LYS 116 HA LYS 116 -5.670 -4.334 8.909 855 HB2 LYS 116 HB2 LYS 116 -5.227 -3.725 6.003 856 HB3 LYS 116 HB3 LYS 116 -6.174 -5.104 6.539 857 HG2 LYS 116 HG2 LYS 116 -7.718 -3.603 7.682 858 HG3 LYS 116 HG3 LYS 116 -6.763 -2.216 7.152 859 HD2 LYS 116 HD2 LYS 116 -8.634 -2.468 5.668 860 HD3 LYS 116 HD3 LYS 116 -7.165 -2.904 4.799 861 HE2 LYS 116 HE2 LYS 116 -7.644 -5.271 5.140 862 HE3 LYS 116 HE3 LYS 116 -9.085 -4.862 6.066 863 HZ1 LYS 116 HZ1 LYS 116 -9.573 -5.480 3.757 864 HZ2 LYS 116 HZ2 LYS 116 -8.653 -4.166 3.214 865 HZ3 LYS 116 HZ3 LYS 116 -10.071 -3.897 4.108 866 H ALA 117 H ALA 117 -2.569 -4.279 7.297 867 HA ALA 117 HA ALA 117 -2.306 -7.061 6.873 868 HB1 ALA 117 HB1 ALA 117 0.032 -6.625 6.533 869 HB2 ALA 117 HB2 ALA 117 -0.125 -5.043 7.300 870 HB3 ALA 117 HB3 ALA 117 -0.928 -5.362 5.761 871 H LEU 118 H LEU 118 -1.586 -4.995 9.599 872 HA LEU 118 HA LEU 118 -0.442 -7.286 11.047 873 HB2 LEU 118 HB2 LEU 118 -0.122 -4.342 11.624 874 HB3 LEU 118 HB3 LEU 118 0.780 -5.665 12.345 875 HG LEU 118 HG LEU 118 0.885 -5.318 9.393 876 HD11 LEU 118 HD11 LEU 118 2.457 -3.682 11.357 877 HD12 LEU 118 HD12 LEU 118 1.201 -3.091 10.266 878 HD13 LEU 118 HD13 LEU 118 2.704 -3.741 9.610 879 HD21 LEU 118 HD21 LEU 118 1.934 -7.249 10.425 880 HD22 LEU 118 HD22 LEU 118 2.878 -6.190 11.475 881 HD23 LEU 118 HD23 LEU 118 3.144 -6.173 9.731 882 H LYS 119 H LYS 119 -3.348 -6.095 10.743 883 HA LYS 119 HA LYS 119 -4.145 -5.155 13.294 884 HB2 LYS 119 HB2 LYS 119 -6.441 -5.473 12.539 885 HB3 LYS 119 HB3 LYS 119 -5.468 -4.729 11.281 886 HG2 LYS 119 HG2 LYS 119 -5.382 -6.796 10.038 887 HG3 LYS 119 HG3 LYS 119 -6.160 -7.662 11.367 888 HD2 LYS 119 HD2 LYS 119 -7.485 -5.351 9.976 889 HD3 LYS 119 HD3 LYS 119 -7.628 -7.013 9.396 890 HE2 LYS 119 HE2 LYS 119 -8.325 -6.169 12.210 891 HE3 LYS 119 HE3 LYS 119 -9.499 -6.225 10.895 892 HZ1 LYS 119 HZ1 LYS 119 -7.865 -8.580 11.646 893 HZ2 LYS 119 HZ2 LYS 119 -9.278 -8.539 10.712 894 HZ3 LYS 119 HZ3 LYS 119 -9.355 -8.247 12.378 895 H ASP 120 H ASP 120 -3.922 -8.328 11.936 896 HA ASP 120 HA ASP 120 -4.474 -9.473 14.576 897 HB2 ASP 120 HB2 ASP 120 -4.962 -11.618 13.147 898 HB3 ASP 120 HB3 ASP 120 -6.205 -10.388 13.333 899 H ALA 121 H ALA 121 -2.362 -9.125 11.921 900 HA ALA 121 HA ALA 121 -0.339 -9.897 11.289 901 HB1 ALA 121 HB1 ALA 121 0.311 -8.844 13.413 902 HB2 ALA 121 HB2 ALA 121 1.329 -10.229 13.011 903 HB3 ALA 121 HB3 ALA 121 0.071 -10.387 14.236 904 H GLU 122 H GLU 122 -2.440 -11.711 11.121 905 HA GLU 122 HA GLU 122 -0.949 -14.246 11.216 906 HB2 GLU 122 HB2 GLU 122 -3.873 -13.812 11.842 907 HB3 GLU 122 HB3 GLU 122 -3.169 -15.393 11.541 908 HG2 GLU 122 HG2 GLU 122 -1.657 -15.044 13.461 909 HG3 GLU 122 HG3 GLU 122 -2.469 -13.517 13.787 910 H LYS 123 H LYS 123 -1.599 -12.046 9.211 911 HA LYS 123 HA LYS 123 -3.087 -13.468 7.173 912 HB2 LYS 123 HB2 LYS 123 -1.981 -10.697 7.468 913 HB3 LYS 123 HB3 LYS 123 -2.424 -11.289 5.866 914 HG2 LYS 123 HG2 LYS 123 -4.674 -11.577 6.472 915 HG3 LYS 123 HG3 LYS 123 -4.313 -11.467 8.189 916 HD2 LYS 123 HD2 LYS 123 -4.074 -9.131 8.113 917 HD3 LYS 123 HD3 LYS 123 -3.881 -9.131 6.349 918 HE2 LYS 123 HE2 LYS 123 -6.103 -8.319 7.127 919 HE3 LYS 123 HE3 LYS 123 -6.191 -9.706 6.042 920 HZ1 LYS 123 HZ1 LYS 123 -7.699 -9.909 7.948 921 HZ2 LYS 123 HZ2 LYS 123 -6.379 -9.861 9.013 922 HZ3 LYS 123 HZ3 LYS 123 -6.547 -11.147 7.925 923 H LEU 124 H LEU 124 -2.066 -13.425 4.861 924 HA LEU 124 HA LEU 124 0.377 -14.966 5.249 925 HB2 LEU 124 HB2 LEU 124 -1.555 -14.879 2.942 926 HB3 LEU 124 HB3 LEU 124 -0.063 -15.797 2.923 927 HG LEU 124 HG LEU 124 -2.396 -16.241 4.794 928 HD11 LEU 124 HD11 LEU 124 -1.315 -17.904 2.524 929 HD12 LEU 124 HD12 LEU 124 -2.802 -16.956 2.490 930 HD13 LEU 124 HD13 LEU 124 -2.659 -18.336 3.580 931 HD21 LEU 124 HD21 LEU 124 -0.277 -16.739 5.904 932 HD22 LEU 124 HD22 LEU 124 0.207 -17.753 4.546 933 HD23 LEU 124 HD23 LEU 124 -1.166 -18.221 5.549 934 H GLU 125 H GLU 125 1.838 -15.051 3.309 935 HA GLU 125 HA GLU 125 2.888 -12.350 3.016 936 HB2 GLU 125 HB2 GLU 125 5.021 -13.543 2.510 937 HB3 GLU 125 HB3 GLU 125 4.365 -13.891 4.102 938 HG2 GLU 125 HG2 GLU 125 3.452 -16.012 3.222 939 HG3 GLU 125 HG3 GLU 125 4.212 -15.661 1.671 940 H HIS 126 H HIS 126 4.531 -12.451 0.993 941 HA HIS 126 HA HIS 126 3.235 -13.548 -1.379 942 HB2 HIS 126 HB2 HIS 126 2.376 -11.205 -1.067 943 HB3 HIS 126 HB3 HIS 126 4.033 -10.627 -1.150 944 HD1 HIS 126 HD1 HIS 126 1.441 -12.329 -3.350 945 HD2 HIS 126 HD2 HIS 126 4.933 -10.090 -3.660 946 HE1 HIS 126 HE1 HIS 126 1.737 -11.864 -5.808 947 HE2 HIS 126 HE2 HIS 126 3.954 -10.686 -5.976 948 H HIS 127 H HIS 127 5.952 -12.598 0.421 949 HA HIS 127 HA HIS 127 7.811 -13.710 -1.475 950 HB2 HIS 127 HB2 HIS 127 9.327 -11.559 -0.978 951 HB3 HIS 127 HB3 HIS 127 8.285 -11.660 -2.381 952 HD1 HIS 127 HD1 HIS 127 8.577 -9.901 0.963 953 HD2 HIS 127 HD2 HIS 127 6.217 -9.844 -2.466 954 HE1 HIS 127 HE1 HIS 127 7.164 -7.828 1.135 955 HE2 HIS 127 HE2 HIS 127 5.897 -7.712 -1.043 956 H HIS 128 H HIS 128 10.004 -13.895 -0.498 957 HA HIS 128 HA HIS 128 9.790 -14.654 2.274 958 HB2 HIS 128 HB2 HIS 128 11.070 -15.997 0.582 959 HB3 HIS 128 HB3 HIS 128 12.236 -14.687 0.479 960 HD1 HIS 128 HD1 HIS 128 14.266 -15.813 1.453 961 HD2 HIS 128 HD2 HIS 128 10.899 -16.250 3.859 962 HE1 HIS 128 HE1 HIS 128 15.093 -16.870 3.584 963 HE2 HIS 128 HE2 HIS 128 13.060 -17.021 5.069 964 H HIS 129 H HIS 129 11.431 -12.155 0.383 965 HA HIS 129 HA HIS 129 11.601 -10.512 2.740 966 HB2 HIS 129 HB2 HIS 129 13.993 -10.028 2.582 967 HB3 HIS 129 HB3 HIS 129 13.718 -11.716 2.938 968 HD1 HIS 129 HD1 HIS 129 15.904 -9.718 1.080 969 HD2 HIS 129 HD2 HIS 129 13.865 -13.243 0.231 970 HE1 HIS 129 HE1 HIS 129 17.179 -10.800 -0.795 971 HE2 HIS 129 HE2 HIS 129 15.846 -12.849 -1.393 972 H HIS 130 H HIS 130 11.502 -8.415 2.353 973 HA HIS 130 HA HIS 130 12.063 -7.390 -0.339 974 HB2 HIS 130 HB2 HIS 130 9.562 -7.499 0.159 975 HB3 HIS 130 HB3 HIS 130 9.849 -6.362 1.467 976 HD1 HIS 130 HD1 HIS 130 9.674 -6.587 -2.268 977 HD2 HIS 130 HD2 HIS 130 10.232 -3.691 0.668 978 HE1 HIS 130 HE1 HIS 130 9.453 -4.379 -3.448 979 HE2 HIS 130 HE2 HIS 130 9.934 -2.640 -1.689 980 H HIS 131 H HIS 131 13.455 -5.700 -0.301 981 HA HIS 131 HA HIS 131 13.584 -3.927 1.979 982 HB2 HIS 131 HB2 HIS 131 15.127 -5.842 2.572 983 HB3 HIS 131 HB3 HIS 131 16.110 -5.401 1.180 984 HD1 HIS 131 HD1 HIS 131 18.139 -4.280 2.035 985 HD2 HIS 131 HD2 HIS 131 14.740 -3.138 4.145 986 HE1 HIS 131 HE1 HIS 131 18.918 -2.542 3.685 987 HE2 HIS 131 HE2 HIS 131 16.838 -1.837 4.925 Start of MODEL 6 1 H1 MET 1 H1 MET 1 3.042 -7.990 15.884 2 H2 MET 1 H2 MET 1 4.718 -8.134 16.082 3 H3 MET 1 H3 MET 1 3.689 -9.314 16.715 4 HA MET 1 HA MET 1 3.013 -9.989 14.531 5 HB2 MET 1 HB2 MET 1 5.074 -8.014 13.521 6 HB3 MET 1 HB3 MET 1 4.102 -9.103 12.543 7 HG2 MET 1 HG2 MET 1 2.908 -7.214 12.254 8 HG3 MET 1 HG3 MET 1 2.127 -7.798 13.721 9 HE1 MET 1 HE1 MET 1 5.270 -4.413 13.580 10 HE2 MET 1 HE2 MET 1 4.623 -5.229 12.156 11 HE3 MET 1 HE3 MET 1 5.684 -6.098 13.264 12 H LYS 2 H LYS 2 4.333 -11.461 13.205 13 HA LYS 2 HA LYS 2 6.867 -12.160 14.541 14 HB2 LYS 2 HB2 LYS 2 6.507 -14.448 13.894 15 HB3 LYS 2 HB3 LYS 2 4.997 -13.878 14.590 16 HG2 LYS 2 HG2 LYS 2 4.197 -13.469 12.245 17 HG3 LYS 2 HG3 LYS 2 5.642 -14.313 11.689 18 HD2 LYS 2 HD2 LYS 2 3.901 -15.914 11.721 19 HD3 LYS 2 HD3 LYS 2 4.919 -16.255 13.120 20 HE2 LYS 2 HE2 LYS 2 3.331 -15.039 14.552 21 HE3 LYS 2 HE3 LYS 2 2.309 -14.736 13.147 22 HZ1 LYS 2 HZ1 LYS 2 2.980 -17.386 14.300 23 HZ2 LYS 2 HZ2 LYS 2 2.078 -17.156 12.888 24 HZ3 LYS 2 HZ3 LYS 2 1.475 -16.613 14.375 25 H ASP 3 H ASP 3 8.473 -13.200 12.970 26 HA ASP 3 HA ASP 3 9.080 -11.514 10.796 27 HB2 ASP 3 HB2 ASP 3 10.816 -12.787 11.930 28 HB3 ASP 3 HB3 ASP 3 10.052 -14.302 11.468 29 H GLY 4 H GLY 4 8.160 -11.390 8.893 30 HA2 GLY 4 HA2 GLY 4 7.293 -13.522 7.293 31 HA3 GLY 4 HA3 GLY 4 5.929 -12.962 8.250 32 H THR 5 H THR 5 4.996 -12.428 6.181 33 HA THR 5 HA THR 5 5.694 -9.703 5.437 34 HB THR 5 HB THR 5 5.231 -11.869 3.373 35 HG1 THR 5 HG1 THR 5 7.518 -10.748 4.526 36 HG21 THR 5 HG21 THR 5 5.820 -10.120 1.758 37 HG22 THR 5 HG22 THR 5 5.947 -8.946 3.068 38 HG23 THR 5 HG23 THR 5 4.388 -9.673 2.680 39 H TYR 6 H TYR 6 3.948 -8.528 5.634 40 HA TYR 6 HA TYR 6 1.383 -9.951 5.796 41 HB2 TYR 6 HB2 TYR 6 2.324 -7.418 7.158 42 HB3 TYR 6 HB3 TYR 6 0.699 -8.098 7.303 43 HD1 TYR 6 HD1 TYR 6 0.354 -10.222 8.426 44 HD2 TYR 6 HD2 TYR 6 4.173 -8.391 8.334 45 HE1 TYR 6 HE1 TYR 6 1.096 -11.691 10.222 46 HE2 TYR 6 HE2 TYR 6 4.929 -9.863 10.146 47 HH TYR 6 HH TYR 6 3.145 -12.581 11.122 48 H TYR 7 H TYR 7 0.231 -9.738 4.155 49 HA TYR 7 HA TYR 7 0.266 -7.197 2.714 50 HB2 TYR 7 HB2 TYR 7 0.823 -8.493 0.977 51 HB3 TYR 7 HB3 TYR 7 0.551 -9.949 1.903 52 HD1 TYR 7 HD2 TYR 7 -1.775 -10.931 1.933 53 HD2 TYR 7 HD1 TYR 7 -0.583 -7.887 -0.780 54 HE1 TYR 7 HE2 TYR 7 -3.613 -11.569 0.419 55 HE2 TYR 7 HE1 TYR 7 -2.405 -8.522 -2.305 56 HH TYR 7 HH TYR 7 -4.953 -10.542 -1.378 57 H ALA 8 H ALA 8 -1.585 -6.123 2.417 58 HA ALA 8 HA ALA 8 -4.101 -7.481 3.075 59 HB1 ALA 8 HB1 ALA 8 -3.498 -6.106 4.995 60 HB2 ALA 8 HB2 ALA 8 -4.931 -5.488 4.170 61 HB3 ALA 8 HB3 ALA 8 -3.371 -4.697 3.942 62 H GLU 9 H GLU 9 -5.797 -6.895 1.817 63 HA GLU 9 HA GLU 9 -5.044 -5.314 -0.546 64 HB2 GLU 9 HB2 GLU 9 -6.587 -6.832 -1.771 65 HB3 GLU 9 HB3 GLU 9 -5.233 -7.678 -1.042 66 HG2 GLU 9 HG2 GLU 9 -6.856 -8.128 0.917 67 HG3 GLU 9 HG3 GLU 9 -8.117 -7.697 -0.236 68 H ALA 10 H ALA 10 -6.445 -3.773 -1.292 69 HA ALA 10 HA ALA 10 -8.600 -2.819 0.261 70 HB1 ALA 10 HB1 ALA 10 -7.949 -2.455 -2.674 71 HB2 ALA 10 HB2 ALA 10 -7.555 -1.351 -1.352 72 HB3 ALA 10 HB3 ALA 10 -9.238 -1.592 -1.834 73 H ASP 11 H ASP 11 -10.755 -3.415 0.250 74 HA ASP 11 HA ASP 11 -11.160 -6.157 -0.365 75 HB2 ASP 11 HB2 ASP 11 -12.260 -5.047 1.541 76 HB3 ASP 11 HB3 ASP 11 -13.235 -4.097 0.420 77 H ASP 12 H ASP 12 -12.417 -3.227 -1.858 78 HA ASP 12 HA ASP 12 -13.267 -4.859 -4.145 79 HB2 ASP 12 HB2 ASP 12 -14.775 -2.951 -4.726 80 HB3 ASP 12 HB3 ASP 12 -15.183 -3.717 -3.196 81 H PHE 13 H PHE 13 -12.925 -3.836 -6.273 82 HA PHE 13 HA PHE 13 -10.255 -2.845 -6.496 83 HB2 PHE 13 HB2 PHE 13 -12.450 -3.179 -8.547 84 HB3 PHE 13 HB3 PHE 13 -10.836 -2.608 -8.950 85 HD1 PHE 13 HD1 PHE 13 -8.895 -4.118 -8.621 86 HD2 PHE 13 HD2 PHE 13 -12.904 -5.479 -8.253 87 HE1 PHE 13 HE1 PHE 13 -8.125 -6.440 -8.868 88 HE2 PHE 13 HE2 PHE 13 -12.145 -7.806 -8.500 89 HZ PHE 13 HZ PHE 13 -9.749 -8.290 -8.805 90 H ASP 14 H ASP 14 -9.526 -0.844 -6.941 91 HA ASP 14 HA ASP 14 -11.159 1.351 -6.157 92 HB2 ASP 14 HB2 ASP 14 -8.308 1.005 -6.972 93 HB3 ASP 14 HB3 ASP 14 -8.995 2.628 -6.977 94 H GLU 15 H GLU 15 -10.197 3.417 -7.785 95 HA GLU 15 HA GLU 15 -12.364 3.408 -9.605 96 HB2 GLU 15 HB2 GLU 15 -10.143 5.408 -9.192 97 HB3 GLU 15 HB3 GLU 15 -11.564 5.688 -10.194 98 HG2 GLU 15 HG2 GLU 15 -13.012 5.442 -8.278 99 HG3 GLU 15 HG3 GLU 15 -11.635 5.047 -7.256 100 H SER 16 H SER 16 -8.927 2.843 -10.067 101 HA SER 16 HA SER 16 -9.356 2.755 -12.961 102 HB2 SER 16 HB2 SER 16 -6.796 2.649 -11.362 103 HB3 SER 16 HB3 SER 16 -6.901 2.617 -13.128 104 HG SER 16 HG SER 16 -8.297 4.660 -12.583 105 H GLY 17 H GLY 17 -9.962 0.679 -10.649 106 HA2 GLY 17 HA2 GLY 17 -10.460 -1.573 -10.845 107 HA3 GLY 17 HA3 GLY 17 -9.640 -1.592 -12.400 108 H TRP 18 H TRP 18 -8.342 -0.549 -9.302 109 HA TRP 18 HA TRP 18 -6.498 -2.838 -9.358 110 HB2 TRP 18 HB2 TRP 18 -5.874 0.063 -8.780 111 HB3 TRP 18 HB3 TRP 18 -4.797 -1.248 -8.330 112 HD1 TRP 18 HD1 TRP 18 -5.749 0.950 -11.230 113 HE1 TRP 18 HE1 TRP 18 -4.267 0.389 -13.255 114 HE3 TRP 18 HE3 TRP 18 -3.615 -3.365 -9.523 115 HZ2 TRP 18 HZ2 TRP 18 -2.441 -1.603 -14.019 116 HZ3 TRP 18 HZ3 TRP 18 -2.007 -4.528 -10.964 117 HH2 TRP 18 HH2 TRP 18 -1.435 -3.666 -13.167 118 H LYS 19 H LYS 19 -6.807 -4.052 -7.616 119 HA LYS 19 HA LYS 19 -7.820 -2.971 -5.123 120 HB2 LYS 19 HB2 LYS 19 -7.156 -5.652 -6.229 121 HB3 LYS 19 HB3 LYS 19 -6.925 -5.465 -4.499 122 HG2 LYS 19 HG2 LYS 19 -9.203 -4.994 -4.139 123 HG3 LYS 19 HG3 LYS 19 -9.504 -4.753 -5.862 124 HD2 LYS 19 HD2 LYS 19 -10.391 -6.891 -5.167 125 HD3 LYS 19 HD3 LYS 19 -9.030 -7.142 -6.255 126 HE2 LYS 19 HE2 LYS 19 -8.679 -8.718 -4.582 127 HE3 LYS 19 HE3 LYS 19 -7.636 -7.381 -4.100 128 HZ1 LYS 19 HZ1 LYS 19 -9.343 -6.660 -2.547 129 HZ2 LYS 19 HZ2 LYS 19 -8.867 -8.257 -2.226 130 HZ3 LYS 19 HZ3 LYS 19 -10.342 -7.954 -3.000 131 H ASP 20 H ASP 20 -6.325 -1.548 -4.283 132 HA ASP 20 HA ASP 20 -3.527 -2.045 -4.576 133 HB2 ASP 20 HB2 ASP 20 -5.129 0.137 -3.360 134 HB3 ASP 20 HB3 ASP 20 -3.429 -0.021 -2.922 135 H THR 21 H THR 21 -2.140 -2.851 -3.302 136 HA THR 21 HA THR 21 -3.082 -3.879 -0.725 137 HB THR 21 HB THR 21 -1.771 -5.892 -1.040 138 HG1 THR 21 HG1 THR 21 -0.687 -4.443 -3.123 139 HG21 THR 21 HG21 THR 21 -2.918 -6.931 -2.940 140 HG22 THR 21 HG22 THR 21 -3.424 -5.338 -3.504 141 HG23 THR 21 HG23 THR 21 -4.023 -5.961 -1.966 142 H VAL 22 H VAL 22 -1.698 -3.822 0.951 143 HA VAL 22 HA VAL 22 0.853 -2.428 0.487 144 HB VAL 22 HB VAL 22 -0.891 -2.269 2.967 145 HG11 VAL 22 HG11 VAL 22 1.498 -2.174 3.510 146 HG12 VAL 22 HG12 VAL 22 0.713 -0.617 3.778 147 HG13 VAL 22 HG13 VAL 22 1.710 -0.868 2.344 148 HG21 VAL 22 HG21 VAL 22 -0.230 -0.169 0.900 149 HG22 VAL 22 HG22 VAL 22 -1.172 0.092 2.369 150 HG23 VAL 22 HG23 VAL 22 -1.789 -0.969 1.101 151 H THR 23 H THR 23 2.423 -3.802 0.594 152 HA THR 23 HA THR 23 2.067 -6.260 2.151 153 HB THR 23 HB THR 23 4.063 -5.811 -0.072 154 HG1 THR 23 HG1 THR 23 1.571 -5.556 -0.475 155 HG21 THR 23 HG21 THR 23 4.389 -7.787 1.327 156 HG22 THR 23 HG22 THR 23 3.902 -8.243 -0.307 157 HG23 THR 23 HG23 THR 23 2.729 -8.291 1.012 158 H ILE 24 H ILE 24 3.069 -6.175 4.039 159 HA ILE 24 HA ILE 24 5.273 -4.318 4.487 160 HB ILE 24 HB ILE 24 3.790 -6.035 6.500 161 HG12 ILE 24 HG12 ILE 24 2.256 -4.506 5.228 162 HG13 ILE 24 HG13 ILE 24 2.295 -4.229 6.965 163 HG21 ILE 24 HG21 ILE 24 4.554 -4.376 8.136 164 HG22 ILE 24 HG22 ILE 24 5.467 -3.558 6.868 165 HG23 ILE 24 HG23 ILE 24 5.892 -5.205 7.340 166 HD11 ILE 24 HD11 ILE 24 3.696 -2.573 4.874 167 HD12 ILE 24 HD12 ILE 24 3.735 -2.280 6.614 168 HD13 ILE 24 HD13 ILE 24 2.215 -2.141 5.729 169 H GLU 25 H GLU 25 7.359 -5.050 4.523 170 HA GLU 25 HA GLU 25 7.837 -7.904 4.900 171 HB2 GLU 25 HB2 GLU 25 9.117 -6.937 3.095 172 HB3 GLU 25 HB3 GLU 25 9.711 -5.648 4.135 173 HG2 GLU 25 HG2 GLU 25 10.978 -7.218 5.433 174 HG3 GLU 25 HG3 GLU 25 10.334 -8.575 4.514 175 H VAL 26 H VAL 26 8.039 -8.645 6.823 176 HA VAL 26 HA VAL 26 9.074 -6.915 8.959 177 HB VAL 26 HB VAL 26 7.058 -9.179 9.134 178 HG11 VAL 26 HG11 VAL 26 8.490 -9.220 11.096 179 HG12 VAL 26 HG12 VAL 26 6.872 -8.647 11.511 180 HG13 VAL 26 HG13 VAL 26 8.205 -7.500 11.355 181 HG21 VAL 26 HG21 VAL 26 6.135 -7.080 8.303 182 HG22 VAL 26 HG22 VAL 26 6.792 -6.231 9.702 183 HG23 VAL 26 HG23 VAL 26 5.531 -7.446 9.920 184 H LYS 27 H LYS 27 10.896 -7.472 9.819 185 HA LYS 27 HA LYS 27 11.727 -10.282 9.832 186 HB2 LYS 27 HB2 LYS 27 12.927 -9.166 8.019 187 HB3 LYS 27 HB3 LYS 27 13.451 -7.901 9.117 188 HG2 LYS 27 HG2 LYS 27 14.855 -9.449 10.314 189 HG3 LYS 27 HG3 LYS 27 14.212 -10.804 9.382 190 HD2 LYS 27 HD2 LYS 27 16.381 -10.173 8.507 191 HD3 LYS 27 HD3 LYS 27 15.124 -9.796 7.328 192 HE2 LYS 27 HE2 LYS 27 15.153 -7.442 8.349 193 HE3 LYS 27 HE3 LYS 27 16.681 -7.930 9.083 194 HZ1 LYS 27 HZ1 LYS 27 17.506 -8.442 6.844 195 HZ2 LYS 27 HZ2 LYS 27 17.093 -6.810 7.027 196 HZ3 LYS 27 HZ3 LYS 27 16.059 -7.856 6.188 197 H ASN 28 H ASN 28 12.331 -10.937 11.775 198 HA ASN 28 HA ASN 28 12.825 -11.018 13.985 199 HB2 ASN 28 HB2 ASN 28 13.992 -8.265 13.512 200 HB3 ASN 28 HB3 ASN 28 14.114 -9.131 15.036 201 HD21 ASN 28 HD21 ASN 28 16.122 -8.199 13.073 202 HD22 ASN 28 HD22 ASN 28 17.074 -9.599 12.710 203 H GLY 29 H GLY 29 10.246 -10.192 13.141 204 HA2 GLY 29 HA2 GLY 29 8.292 -9.707 14.274 205 HA3 GLY 29 HA3 GLY 29 9.253 -9.181 15.638 206 H LYS 30 H LYS 30 10.438 -7.399 13.128 207 HA LYS 30 HA LYS 30 8.387 -5.319 13.427 208 HB2 LYS 30 HB2 LYS 30 10.199 -3.630 13.734 209 HB3 LYS 30 HB3 LYS 30 9.991 -4.739 15.080 210 HG2 LYS 30 HG2 LYS 30 11.928 -6.039 14.258 211 HG3 LYS 30 HG3 LYS 30 12.162 -4.833 12.990 212 HD2 LYS 30 HD2 LYS 30 13.656 -4.347 14.823 213 HD3 LYS 30 HD3 LYS 30 12.408 -3.099 14.755 214 HE2 LYS 30 HE2 LYS 30 11.159 -4.363 16.503 215 HE3 LYS 30 HE3 LYS 30 12.540 -5.447 16.637 216 HZ1 LYS 30 HZ1 LYS 30 13.897 -3.476 17.199 217 HZ2 LYS 30 HZ2 LYS 30 12.689 -3.817 18.333 218 HZ3 LYS 30 HZ3 LYS 30 12.479 -2.546 17.236 219 H ILE 31 H ILE 31 8.669 -3.483 11.907 220 HA ILE 31 HA ILE 31 8.778 -4.554 9.253 221 HB ILE 31 HB ILE 31 8.472 -1.663 10.098 222 HG12 ILE 31 HG12 ILE 31 6.280 -3.678 9.556 223 HG13 ILE 31 HG13 ILE 31 6.805 -3.200 11.166 224 HG21 ILE 31 HG21 ILE 31 8.990 -1.909 7.739 225 HG22 ILE 31 HG22 ILE 31 7.319 -1.387 7.953 226 HG23 ILE 31 HG23 ILE 31 7.672 -3.068 7.551 227 HD11 ILE 31 HD11 ILE 31 6.112 -0.910 10.719 228 HD12 ILE 31 HD12 ILE 31 4.771 -2.035 10.498 229 HD13 ILE 31 HD13 ILE 31 5.611 -1.374 9.094 230 H VAL 32 H VAL 32 10.585 -4.714 8.020 231 HA VAL 32 HA VAL 32 12.717 -2.764 8.535 232 HB VAL 32 HB VAL 32 14.253 -4.322 7.333 233 HG11 VAL 32 HG11 VAL 32 14.467 -5.874 9.219 234 HG12 VAL 32 HG12 VAL 32 12.861 -5.403 9.777 235 HG13 VAL 32 HG13 VAL 32 14.170 -4.221 9.759 236 HG21 VAL 32 HG21 VAL 32 13.577 -6.665 7.076 237 HG22 VAL 32 HG22 VAL 32 12.621 -5.591 6.051 238 HG23 VAL 32 HG23 VAL 32 11.930 -6.234 7.542 239 H SER 33 H SER 33 10.374 -3.731 6.279 240 HA SER 33 HA SER 33 11.015 -1.657 4.427 241 HB2 SER 33 HB2 SER 33 11.619 -4.500 3.663 242 HB3 SER 33 HB3 SER 33 11.064 -3.355 2.442 243 HG SER 33 HG SER 33 13.100 -2.476 4.105 244 H VAL 34 H VAL 34 9.446 -1.687 2.566 245 HA VAL 34 HA VAL 34 7.110 -3.343 2.910 246 HB VAL 34 HB VAL 34 6.508 -1.602 4.448 247 HG11 VAL 34 HG11 VAL 34 7.058 0.357 2.251 248 HG12 VAL 34 HG12 VAL 34 7.987 0.150 3.737 249 HG13 VAL 34 HG13 VAL 34 6.327 0.745 3.809 250 HG21 VAL 34 HG21 VAL 34 5.028 -1.241 1.849 251 HG22 VAL 34 HG22 VAL 34 4.472 -0.659 3.418 252 HG23 VAL 34 HG23 VAL 34 4.658 -2.390 3.137 253 H ASP 35 H ASP 35 6.126 -3.754 1.136 254 HA ASP 35 HA ASP 35 7.147 -2.674 -1.390 255 HB2 ASP 35 HB2 ASP 35 5.767 -5.288 -0.736 256 HB3 ASP 35 HB3 ASP 35 6.140 -4.766 -2.376 257 H TRP 36 H TRP 36 5.757 -1.976 -2.961 258 HA TRP 36 HA TRP 36 2.954 -1.640 -2.156 259 HB2 TRP 36 HB2 TRP 36 3.251 0.256 -4.077 260 HB3 TRP 36 HB3 TRP 36 3.451 0.556 -2.359 261 HD1 TRP 36 HD1 TRP 36 5.914 1.082 -1.478 262 HE1 TRP 36 HE1 TRP 36 8.104 1.705 -2.672 263 HE3 TRP 36 HE3 TRP 36 4.621 -0.185 -6.266 264 HZ2 TRP 36 HZ2 TRP 36 9.143 1.664 -5.299 265 HZ3 TRP 36 HZ3 TRP 36 6.272 0.136 -8.054 266 HH2 TRP 36 HH2 TRP 36 8.484 1.041 -7.580 267 H ASN 37 H ASN 37 1.486 -2.643 -3.291 268 HA ASN 37 HA ASN 37 2.006 -3.469 -6.052 269 HB2 ASN 37 HB2 ASN 37 2.849 -5.265 -4.539 270 HB3 ASN 37 HB3 ASN 37 1.254 -5.395 -3.825 271 HD21 ASN 37 HD21 ASN 37 0.854 -7.444 -4.345 272 HD22 ASN 37 HD22 ASN 37 0.663 -8.033 -5.961 273 H ALA 38 H ALA 38 -0.021 -4.304 -7.074 274 HA ALA 38 HA ALA 38 -2.513 -3.908 -5.663 275 HB1 ALA 38 HB1 ALA 38 -3.447 -2.399 -7.348 276 HB2 ALA 38 HB2 ALA 38 -1.881 -2.328 -8.159 277 HB3 ALA 38 HB3 ALA 38 -2.066 -1.664 -6.534 278 H ILE 39 H ILE 39 -4.293 -4.901 -6.781 279 HA ILE 39 HA ILE 39 -3.410 -6.941 -8.735 280 HB ILE 39 HB ILE 39 -5.924 -7.048 -7.039 281 HG12 ILE 39 HG12 ILE 39 -3.280 -8.382 -6.401 282 HG13 ILE 39 HG13 ILE 39 -3.845 -6.909 -5.624 283 HG21 ILE 39 HG21 ILE 39 -5.802 -9.459 -7.518 284 HG22 ILE 39 HG22 ILE 39 -4.363 -9.187 -8.503 285 HG23 ILE 39 HG23 ILE 39 -5.914 -8.503 -8.995 286 HD11 ILE 39 HD11 ILE 39 -5.782 -8.114 -4.755 287 HD12 ILE 39 HD12 ILE 39 -4.263 -8.841 -4.227 288 HD13 ILE 39 HD13 ILE 39 -5.201 -9.592 -5.520 289 H ASN 40 H ASN 40 -4.360 -6.959 -10.764 290 HA ASN 40 HA ASN 40 -6.137 -4.722 -11.330 291 HB2 ASN 40 HB2 ASN 40 -4.173 -5.159 -12.780 292 HB3 ASN 40 HB3 ASN 40 -4.925 -6.670 -13.293 293 HD21 ASN 40 HD21 ASN 40 -5.479 -3.187 -13.130 294 HD22 ASN 40 HD22 ASN 40 -6.409 -3.093 -14.582 295 H LYS 41 H LYS 41 -8.119 -4.791 -12.129 296 HA LYS 41 HA LYS 41 -9.853 -6.809 -11.281 297 HB2 LYS 41 HB2 LYS 41 -10.307 -4.335 -11.605 298 HB3 LYS 41 HB3 LYS 41 -10.473 -4.678 -13.321 299 HG2 LYS 41 HG2 LYS 41 -12.328 -6.185 -12.839 300 HG3 LYS 41 HG3 LYS 41 -12.151 -5.841 -11.116 301 HD2 LYS 41 HD2 LYS 41 -12.496 -3.404 -11.704 302 HD3 LYS 41 HD3 LYS 41 -12.977 -3.954 -13.309 303 HE2 LYS 41 HE2 LYS 41 -14.749 -5.298 -12.332 304 HE3 LYS 41 HE3 LYS 41 -14.262 -4.787 -10.716 305 HZ1 LYS 41 HZ1 LYS 41 -16.149 -3.516 -11.510 306 HZ2 LYS 41 HZ2 LYS 41 -15.275 -3.009 -12.867 307 HZ3 LYS 41 HZ3 LYS 41 -14.800 -2.509 -11.322 308 H ASP 42 H ASP 42 -8.817 -5.951 -14.572 309 HA ASP 42 HA ASP 42 -10.471 -8.019 -15.734 310 HB2 ASP 42 HB2 ASP 42 -10.211 -5.808 -16.816 311 HB3 ASP 42 HB3 ASP 42 -8.493 -6.123 -17.030 312 H GLY 43 H GLY 43 -7.124 -7.494 -14.943 313 HA2 GLY 43 HA2 GLY 43 -6.082 -9.676 -16.467 314 HA3 GLY 43 HA3 GLY 43 -5.229 -8.764 -15.235 315 H GLY 44 H GLY 44 -6.692 -9.190 -13.002 316 HA2 GLY 44 HA2 GLY 44 -7.326 -10.822 -11.440 317 HA3 GLY 44 HA3 GLY 44 -7.040 -12.061 -12.654 318 H ASP 45 H ASP 45 -4.498 -9.963 -12.601 319 HA ASP 45 HA ASP 45 -2.936 -11.652 -10.773 320 HB2 ASP 45 HB2 ASP 45 -2.073 -10.346 -13.365 321 HB3 ASP 45 HB3 ASP 45 -0.991 -11.185 -12.258 322 H ASP 46 H ASP 46 -0.809 -10.482 -10.223 323 HA ASP 46 HA ASP 46 -1.479 -7.939 -8.998 324 HB2 ASP 46 HB2 ASP 46 1.164 -9.420 -9.038 325 HB3 ASP 46 HB3 ASP 46 0.730 -8.101 -7.956 326 H LYS 47 H LYS 47 0.114 -6.077 -9.218 327 HA LYS 47 HA LYS 47 0.537 -5.463 -11.974 328 HB2 LYS 47 HB2 LYS 47 1.202 -3.325 -11.299 329 HB3 LYS 47 HB3 LYS 47 0.005 -3.802 -10.115 330 HG2 LYS 47 HG2 LYS 47 2.087 -4.525 -8.717 331 HG3 LYS 47 HG3 LYS 47 2.949 -3.432 -9.800 332 HD2 LYS 47 HD2 LYS 47 0.613 -2.738 -8.016 333 HD3 LYS 47 HD3 LYS 47 2.290 -2.249 -7.791 334 HE2 LYS 47 HE2 LYS 47 2.226 -0.810 -9.652 335 HE3 LYS 47 HE3 LYS 47 0.719 -1.514 -10.242 336 HZ1 LYS 47 HZ1 LYS 47 1.039 0.084 -7.760 337 HZ2 LYS 47 HZ2 LYS 47 -0.408 -0.614 -8.298 338 HZ3 LYS 47 HZ3 LYS 47 0.322 0.615 -9.204 339 H ASP 48 H ASP 48 2.486 -6.861 -9.488 340 HA ASP 48 HA ASP 48 5.032 -6.651 -10.720 341 HB2 ASP 48 HB2 ASP 48 4.564 -7.228 -8.317 342 HB3 ASP 48 HB3 ASP 48 3.981 -8.796 -8.854 343 H THR 49 H THR 49 2.473 -9.098 -10.773 344 HA THR 49 HA THR 49 3.744 -10.898 -12.559 345 HB THR 49 HB THR 49 0.766 -10.695 -12.120 346 HG1 THR 49 HG1 THR 49 1.588 -12.307 -10.324 347 HG21 THR 49 HG21 THR 49 1.549 -12.384 -13.729 348 HG22 THR 49 HG22 THR 49 0.868 -13.137 -12.286 349 HG23 THR 49 HG23 THR 49 2.619 -13.057 -12.498 350 H LEU 50 H LEU 50 1.558 -8.173 -13.012 351 HA LEU 50 HA LEU 50 1.126 -8.604 -15.792 352 HB2 LEU 50 HB2 LEU 50 0.780 -6.167 -14.067 353 HB3 LEU 50 HB3 LEU 50 0.446 -6.162 -15.788 354 HG LEU 50 HG LEU 50 -0.961 -7.793 -13.675 355 HD11 LEU 50 HD11 LEU 50 -1.611 -5.452 -13.789 356 HD12 LEU 50 HD12 LEU 50 -2.903 -6.502 -14.372 357 HD13 LEU 50 HD13 LEU 50 -1.905 -5.612 -15.521 358 HD21 LEU 50 HD21 LEU 50 -0.744 -9.164 -15.654 359 HD22 LEU 50 HD22 LEU 50 -1.283 -7.831 -16.681 360 HD23 LEU 50 HD23 LEU 50 -2.404 -8.575 -15.531 361 H SER 51 H SER 51 3.573 -6.811 -13.979 362 HA SER 51 HA SER 51 4.833 -5.733 -16.307 363 HB2 SER 51 HB2 SER 51 5.091 -4.850 -13.959 364 HB3 SER 51 HB3 SER 51 6.101 -6.251 -13.607 365 HG SER 51 HG SER 51 6.713 -4.661 -15.841 366 H ARG 52 H ARG 52 5.007 -8.753 -14.578 367 HA ARG 52 HA ARG 52 7.376 -9.838 -15.660 368 HB2 ARG 52 HB2 ARG 52 5.855 -10.593 -13.682 369 HB3 ARG 52 HB3 ARG 52 4.958 -11.464 -14.913 370 HG2 ARG 52 HG2 ARG 52 6.472 -12.979 -13.877 371 HG3 ARG 52 HG3 ARG 52 7.063 -12.654 -15.507 372 HD2 ARG 52 HD2 ARG 52 8.870 -12.652 -13.838 373 HD3 ARG 52 HD3 ARG 52 8.698 -11.093 -14.644 374 HE ARG 52 HE ARG 52 7.473 -11.533 -12.000 375 HH11 ARG 52 HH11 ARG 52 9.706 -9.781 -14.066 376 HH12 ARG 52 HH12 ARG 52 10.039 -8.555 -12.882 377 HH21 ARG 52 HH21 ARG 52 7.918 -9.909 -10.436 378 HH22 ARG 52 HH22 ARG 52 9.021 -8.628 -10.834 379 H ASN 53 H ASN 53 4.005 -9.908 -16.739 380 HA ASN 53 HA ASN 53 4.611 -11.465 -19.099 381 HB2 ASN 53 HB2 ASN 53 2.093 -10.199 -18.053 382 HB3 ASN 53 HB3 ASN 53 2.170 -10.872 -19.678 383 HD21 ASN 53 HD21 ASN 53 1.968 -11.558 -16.325 384 HD22 ASN 53 HD22 ASN 53 1.820 -13.276 -16.469 385 H GLY 54 H GLY 54 4.238 -8.099 -18.328 386 HA2 GLY 54 HA2 GLY 54 4.625 -6.229 -19.682 387 HA3 GLY 54 HA3 GLY 54 4.763 -7.296 -21.076 388 H GLY 55 H GLY 55 2.168 -7.096 -18.713 389 HA2 GLY 55 HA2 GLY 55 0.321 -6.087 -20.755 390 HA3 GLY 55 HA3 GLY 55 -0.041 -7.595 -19.938 391 H TYR 56 H TYR 56 1.252 -4.503 -18.832 392 HA TYR 56 HA TYR 56 -0.234 -4.419 -16.413 393 HB2 TYR 56 HB2 TYR 56 2.005 -3.328 -17.020 394 HB3 TYR 56 HB3 TYR 56 1.073 -2.100 -17.852 395 HD1 TYR 56 HD1 TYR 56 -0.572 -0.680 -16.403 396 HD2 TYR 56 HD2 TYR 56 2.503 -3.135 -14.776 397 HE1 TYR 56 HE1 TYR 56 -0.589 0.679 -14.354 398 HE2 TYR 56 HE2 TYR 56 2.488 -1.793 -12.720 399 HH TYR 56 HH TYR 56 0.083 0.530 -12.007 400 H LYS 57 H LYS 57 -2.393 -4.695 -17.062 401 HA LYS 57 HA LYS 57 -3.744 -2.955 -18.872 402 HB2 LYS 57 HB2 LYS 57 -4.801 -4.928 -16.836 403 HB3 LYS 57 HB3 LYS 57 -5.794 -4.112 -18.032 404 HG2 LYS 57 HG2 LYS 57 -4.592 -5.234 -19.822 405 HG3 LYS 57 HG3 LYS 57 -3.536 -6.011 -18.637 406 HD2 LYS 57 HD2 LYS 57 -5.342 -7.249 -17.717 407 HD3 LYS 57 HD3 LYS 57 -6.532 -6.333 -18.642 408 HE2 LYS 57 HE2 LYS 57 -6.246 -8.486 -19.669 409 HE3 LYS 57 HE3 LYS 57 -5.542 -7.262 -20.722 410 HZ1 LYS 57 HZ1 LYS 57 -4.150 -9.250 -20.507 411 HZ2 LYS 57 HZ2 LYS 57 -3.994 -8.969 -18.844 412 HZ3 LYS 57 HZ3 LYS 57 -3.359 -7.859 -19.957 413 H MET 58 H MET 58 -4.847 -1.117 -18.481 414 HA MET 58 HA MET 58 -5.661 -0.577 -15.699 415 HB2 MET 58 HB2 MET 58 -4.816 1.511 -17.730 416 HB3 MET 58 HB3 MET 58 -5.443 1.837 -16.125 417 HG2 MET 58 HG2 MET 58 -3.484 0.723 -15.147 418 HG3 MET 58 HG3 MET 58 -2.850 0.459 -16.771 419 HE1 MET 58 HE1 MET 58 -4.734 3.592 -15.246 420 HE2 MET 58 HE2 MET 58 -3.359 4.589 -14.771 421 HE3 MET 58 HE3 MET 58 -3.655 3.050 -13.960 422 H VAL 59 H VAL 59 -7.855 -0.379 -15.527 423 HA VAL 59 HA VAL 59 -9.345 -0.353 -18.030 424 HB VAL 59 HB VAL 59 -11.289 -1.091 -16.838 425 HG11 VAL 59 HG11 VAL 59 -10.475 -3.176 -15.788 426 HG12 VAL 59 HG12 VAL 59 -8.830 -2.542 -15.878 427 HG13 VAL 59 HG13 VAL 59 -9.740 -2.846 -17.359 428 HG21 VAL 59 HG21 VAL 59 -11.340 -1.444 -14.419 429 HG22 VAL 59 HG22 VAL 59 -11.144 0.261 -14.825 430 HG23 VAL 59 HG23 VAL 59 -9.758 -0.680 -14.271 431 H GLU 60 H GLU 60 -8.178 1.889 -16.077 432 HA GLU 60 HA GLU 60 -9.842 4.012 -17.040 433 HB2 GLU 60 HB2 GLU 60 -10.935 2.966 -14.903 434 HB3 GLU 60 HB3 GLU 60 -9.610 3.717 -14.041 435 HG2 GLU 60 HG2 GLU 60 -11.428 5.306 -15.799 436 HG3 GLU 60 HG3 GLU 60 -11.861 4.912 -14.139 437 H TYR 61 H TYR 61 -8.544 5.919 -17.061 438 HA TYR 61 HA TYR 61 -5.744 5.301 -16.383 439 HB2 TYR 61 HB2 TYR 61 -6.809 7.056 -18.596 440 HB3 TYR 61 HB3 TYR 61 -5.106 6.764 -18.261 441 HD1 TYR 61 HD1 TYR 61 -4.261 4.354 -18.437 442 HD2 TYR 61 HD2 TYR 61 -8.017 5.611 -19.987 443 HE1 TYR 61 HE1 TYR 61 -4.332 2.362 -19.874 444 HE2 TYR 61 HE2 TYR 61 -8.098 3.620 -21.423 445 HH TYR 61 HH TYR 61 -5.970 0.987 -21.018 446 H GLY 62 H GLY 62 -8.197 7.328 -15.442 447 HA2 GLY 62 HA2 GLY 62 -6.749 9.770 -15.038 448 HA3 GLY 62 HA3 GLY 62 -8.323 9.364 -14.375 449 H GLY 63 H GLY 63 -7.512 6.968 -13.037 450 HA2 GLY 63 HA2 GLY 63 -6.126 8.168 -10.755 451 HA3 GLY 63 HA3 GLY 63 -7.038 6.667 -10.745 452 H ALA 64 H ALA 64 -4.378 7.757 -12.830 453 HA ALA 64 HA ALA 64 -2.980 5.292 -12.723 454 HB1 ALA 64 HB1 ALA 64 -2.815 6.838 -14.621 455 HB2 ALA 64 HB2 ALA 64 -1.226 6.450 -13.960 456 HB3 ALA 64 HB3 ALA 64 -1.980 8.003 -13.595 457 H GLN 65 H GLN 65 -2.739 8.282 -10.943 458 HA GLN 65 HA GLN 65 -0.371 7.418 -9.515 459 HB2 GLN 65 HB2 GLN 65 -0.313 9.599 -8.529 460 HB3 GLN 65 HB3 GLN 65 -0.578 9.766 -10.250 461 HG2 GLN 65 HG2 GLN 65 -2.766 9.983 -8.197 462 HG3 GLN 65 HG3 GLN 65 -1.831 11.352 -8.781 463 HE21 GLN 65 HE21 GLN 65 -4.421 9.217 -9.385 464 HE22 GLN 65 HE22 GLN 65 -4.934 9.900 -10.893 465 H ALA 66 H ALA 66 -3.666 6.951 -9.194 466 HA ALA 66 HA ALA 66 -3.981 7.247 -6.357 467 HB1 ALA 66 HB1 ALA 66 -5.876 7.484 -7.876 468 HB2 ALA 66 HB2 ALA 66 -6.167 6.207 -6.694 469 HB3 ALA 66 HB3 ALA 66 -5.718 5.794 -8.350 470 H GLU 67 H GLU 67 -3.168 4.649 -8.540 471 HA GLU 67 HA GLU 67 -2.974 2.774 -6.340 472 HB2 GLU 67 HB2 GLU 67 -2.236 1.177 -8.154 473 HB3 GLU 67 HB3 GLU 67 -3.872 1.800 -8.309 474 HG2 GLU 67 HG2 GLU 67 -3.349 2.282 -10.408 475 HG3 GLU 67 HG3 GLU 67 -2.336 3.577 -9.767 476 H TRP 68 H TRP 68 -0.965 1.692 -5.835 477 HA TRP 68 HA TRP 68 1.019 3.770 -5.474 478 HB2 TRP 68 HB2 TRP 68 1.043 0.956 -4.361 479 HB3 TRP 68 HB3 TRP 68 1.956 2.340 -3.773 480 HD1 TRP 68 HD1 TRP 68 -0.958 0.406 -2.929 481 HE1 TRP 68 HE1 TRP 68 -2.603 1.709 -1.454 482 HE3 TRP 68 HE3 TRP 68 0.951 5.098 -3.580 483 HZ2 TRP 68 HZ2 TRP 68 -3.026 4.406 -0.660 484 HZ3 TRP 68 HZ3 TRP 68 -0.119 6.978 -2.429 485 HH2 TRP 68 HH2 TRP 68 -2.066 6.641 -0.997 486 H HIS 69 H HIS 69 2.331 4.035 -7.260 487 HA HIS 69 HA HIS 69 4.278 1.893 -7.554 488 HB2 HIS 69 HB2 HIS 69 4.237 1.691 -9.896 489 HB3 HIS 69 HB3 HIS 69 2.546 1.684 -9.424 490 HD1 HIS 69 HD1 HIS 69 1.132 3.797 -10.130 491 HD2 HIS 69 HD2 HIS 69 5.006 3.670 -11.642 492 HE1 HIS 69 HE1 HIS 69 1.219 5.562 -11.923 493 HE2 HIS 69 HE2 HIS 69 3.576 5.510 -12.788 494 H GLU 70 H GLU 70 3.548 5.317 -7.714 495 HA GLU 70 HA GLU 70 6.350 5.812 -8.482 496 HB2 GLU 70 HB2 GLU 70 4.491 6.379 -10.162 497 HB3 GLU 70 HB3 GLU 70 4.103 7.714 -9.084 498 HG2 GLU 70 HG2 GLU 70 5.516 8.451 -10.901 499 HG3 GLU 70 HG3 GLU 70 6.355 8.601 -9.359 500 H GLN 71 H GLN 71 3.612 7.448 -6.848 501 HA GLN 71 HA GLN 71 5.375 9.199 -5.374 502 HB2 GLN 71 HB2 GLN 71 2.408 8.714 -5.342 503 HB3 GLN 71 HB3 GLN 71 3.166 9.688 -4.097 504 HG2 GLN 71 HG2 GLN 71 2.284 11.171 -5.699 505 HG3 GLN 71 HG3 GLN 71 4.029 11.176 -5.903 506 HE21 GLN 71 HE21 GLN 71 4.902 10.495 -7.792 507 HE22 GLN 71 HE22 GLN 71 3.966 10.098 -9.194 508 H ALA 72 H ALA 72 4.315 6.058 -5.013 509 HA ALA 72 HA ALA 72 3.888 5.844 -2.245 510 HB1 ALA 72 HB1 ALA 72 2.995 4.254 -3.837 511 HB2 ALA 72 HB2 ALA 72 3.990 3.445 -2.623 512 HB3 ALA 72 HB3 ALA 72 4.628 3.727 -4.244 513 H GLU 73 H GLU 73 6.834 5.867 -4.129 514 HA GLU 73 HA GLU 73 8.470 4.431 -2.328 515 HB2 GLU 73 HB2 GLU 73 10.379 5.441 -3.508 516 HB3 GLU 73 HB3 GLU 73 9.188 4.757 -4.602 517 HG2 GLU 73 HG2 GLU 73 8.396 6.892 -5.225 518 HG3 GLU 73 HG3 GLU 73 9.282 7.680 -3.921 519 H LYS 74 H LYS 74 7.594 7.862 -2.393 520 HA LYS 74 HA LYS 74 9.371 8.698 -0.341 521 HB2 LYS 74 HB2 LYS 74 6.931 9.768 -1.700 522 HB3 LYS 74 HB3 LYS 74 7.423 10.510 -0.190 523 HG2 LYS 74 HG2 LYS 74 8.202 11.683 -2.207 524 HG3 LYS 74 HG3 LYS 74 9.500 11.206 -1.126 525 HD2 LYS 74 HD2 LYS 74 10.016 9.327 -2.617 526 HD3 LYS 74 HD3 LYS 74 8.709 9.831 -3.690 527 HE2 LYS 74 HE2 LYS 74 9.820 11.886 -4.186 528 HE3 LYS 74 HE3 LYS 74 11.037 11.585 -2.947 529 HZ1 LYS 74 HZ1 LYS 74 11.858 9.732 -4.213 530 HZ2 LYS 74 HZ2 LYS 74 11.854 11.117 -5.188 531 HZ3 LYS 74 HZ3 LYS 74 10.654 9.935 -5.385 532 H VAL 75 H VAL 75 6.170 7.387 -0.477 533 HA VAL 75 HA VAL 75 5.365 7.980 2.183 534 HB VAL 75 HB VAL 75 4.217 6.070 0.132 535 HG11 VAL 75 HG11 VAL 75 3.416 5.618 2.394 536 HG12 VAL 75 HG12 VAL 75 2.144 6.240 1.344 537 HG13 VAL 75 HG13 VAL 75 2.900 7.300 2.534 538 HG21 VAL 75 HG21 VAL 75 4.324 8.360 -0.702 539 HG22 VAL 75 HG22 VAL 75 3.488 8.931 0.744 540 HG23 VAL 75 HG23 VAL 75 2.657 7.873 -0.396 541 H GLU 76 H GLU 76 6.630 5.095 0.554 542 HA GLU 76 HA GLU 76 6.296 3.309 2.722 543 HB2 GLU 76 HB2 GLU 76 7.783 1.787 1.465 544 HB3 GLU 76 HB3 GLU 76 6.472 2.426 0.495 545 HG2 GLU 76 HG2 GLU 76 8.009 2.858 -1.036 546 HG3 GLU 76 HG3 GLU 76 8.529 4.179 0.004 547 H ALA 77 H ALA 77 8.948 5.414 1.781 548 HA ALA 77 HA ALA 77 10.915 4.568 3.571 549 HB1 ALA 77 HB1 ALA 77 11.880 6.774 3.290 550 HB2 ALA 77 HB2 ALA 77 10.365 7.362 2.603 551 HB3 ALA 77 HB3 ALA 77 11.306 6.139 1.747 552 H TYR 78 H TYR 78 8.213 6.788 4.024 553 HA TYR 78 HA TYR 78 8.925 7.630 6.643 554 HB2 TYR 78 HB2 TYR 78 7.429 8.894 5.106 555 HB3 TYR 78 HB3 TYR 78 6.200 7.654 5.331 556 HD1 TYR 78 HD2 TYR 78 8.266 10.091 7.267 557 HD2 TYR 78 HD1 TYR 78 4.625 7.904 7.032 558 HE1 TYR 78 HE2 TYR 78 7.411 11.314 9.222 559 HE2 TYR 78 HE1 TYR 78 3.764 9.121 8.983 560 HH TYR 78 HH TYR 78 4.594 10.369 10.902 561 H LEU 79 H LEU 79 6.986 4.978 5.381 562 HA LEU 79 HA LEU 79 5.727 4.235 7.795 563 HB2 LEU 79 HB2 LEU 79 5.110 3.578 5.420 564 HB3 LEU 79 HB3 LEU 79 6.403 2.409 5.492 565 HG LEU 79 HG LEU 79 3.954 1.653 5.896 566 HD11 LEU 79 HD11 LEU 79 5.830 0.153 6.141 567 HD12 LEU 79 HD12 LEU 79 4.657 -0.108 7.432 568 HD13 LEU 79 HD13 LEU 79 6.149 0.776 7.760 569 HD21 LEU 79 HD21 LEU 79 4.643 2.763 8.615 570 HD22 LEU 79 HD22 LEU 79 3.288 1.678 8.272 571 HD23 LEU 79 HD23 LEU 79 3.335 3.287 7.550 572 H VAL 80 H VAL 80 8.741 3.146 6.270 573 HA VAL 80 HA VAL 80 9.327 1.145 8.200 574 HB VAL 80 HB VAL 80 11.238 2.554 6.314 575 HG11 VAL 80 HG11 VAL 80 12.656 0.564 6.573 576 HG12 VAL 80 HG12 VAL 80 11.540 -0.065 7.786 577 HG13 VAL 80 HG13 VAL 80 12.442 1.418 8.103 578 HG21 VAL 80 HG21 VAL 80 10.913 0.617 4.860 579 HG22 VAL 80 HG22 VAL 80 9.393 1.468 5.141 580 HG23 VAL 80 HG23 VAL 80 9.733 -0.041 5.992 581 H GLU 81 H GLU 81 10.275 4.581 7.966 582 HA GLU 81 HA GLU 81 12.063 4.364 10.204 583 HB2 GLU 81 HB2 GLU 81 12.358 6.762 10.032 584 HB3 GLU 81 HB3 GLU 81 12.456 6.025 8.441 585 HG2 GLU 81 HG2 GLU 81 10.167 6.758 7.968 586 HG3 GLU 81 HG3 GLU 81 10.082 7.498 9.566 587 H LYS 82 H LYS 82 8.660 4.899 9.870 588 HA LYS 82 HA LYS 82 8.363 6.007 12.523 589 HB2 LYS 82 HB2 LYS 82 6.497 5.313 10.300 590 HB3 LYS 82 HB3 LYS 82 5.846 5.519 11.919 591 HG2 LYS 82 HG2 LYS 82 7.664 7.640 10.974 592 HG3 LYS 82 HG3 LYS 82 6.125 7.507 10.130 593 HD2 LYS 82 HD2 LYS 82 5.871 9.097 11.906 594 HD3 LYS 82 HD3 LYS 82 4.969 7.647 12.327 595 HE2 LYS 82 HE2 LYS 82 7.733 7.728 13.336 596 HE3 LYS 82 HE3 LYS 82 6.657 8.957 14.000 597 HZ1 LYS 82 HZ1 LYS 82 5.094 7.189 14.593 598 HZ2 LYS 82 HZ2 LYS 82 6.598 6.977 15.354 599 HZ3 LYS 82 HZ3 LYS 82 6.185 6.022 14.019 600 H GLN 83 H GLN 83 8.086 2.873 11.004 601 HA GLN 83 HA GLN 83 7.751 0.761 11.758 602 HB2 GLN 83 HB2 GLN 83 8.304 2.013 14.447 603 HB3 GLN 83 HB3 GLN 83 7.952 0.304 14.257 604 HG2 GLN 83 HG2 GLN 83 10.240 1.748 12.943 605 HG3 GLN 83 HG3 GLN 83 10.351 0.786 14.418 606 HE21 GLN 83 HE21 GLN 83 9.917 0.733 10.988 607 HE22 GLN 83 HE22 GLN 83 10.199 -0.965 10.783 608 H ASP 84 H ASP 84 5.538 2.820 11.601 609 HA ASP 84 HA ASP 84 3.564 1.428 13.226 610 HB2 ASP 84 HB2 ASP 84 4.593 4.062 13.760 611 HB3 ASP 84 HB3 ASP 84 2.867 4.135 13.416 612 HA PRO 85 HA PRO 85 1.502 1.986 9.234 613 HB2 PRO 85 HB2 PRO 85 -0.355 0.101 9.662 614 HB3 PRO 85 HB3 PRO 85 1.320 -0.314 9.282 615 HG2 PRO 85 HG2 PRO 85 -0.023 -0.196 11.971 616 HG3 PRO 85 HG3 PRO 85 0.971 -1.498 11.280 617 HD2 PRO 85 HD2 PRO 85 2.002 0.311 12.975 618 HD3 PRO 85 HD3 PRO 85 2.945 -0.348 11.620 619 H THR 86 H THR 86 0.413 2.511 12.433 620 HA THR 86 HA THR 86 -2.209 3.496 11.550 621 HB THR 86 HB THR 86 -2.383 1.638 13.102 622 HG1 THR 86 HG1 THR 86 -3.020 3.855 14.720 623 HG21 THR 86 HG21 THR 86 -0.243 1.823 14.245 624 HG22 THR 86 HG22 THR 86 -1.574 1.756 15.402 625 HG23 THR 86 HG23 THR 86 -0.786 3.295 15.050 626 H ASP 87 H ASP 87 0.824 4.543 12.545 627 HA ASP 87 HA ASP 87 -0.227 6.930 13.862 628 HB2 ASP 87 HB2 ASP 87 1.583 5.714 15.015 629 HB3 ASP 87 HB3 ASP 87 2.625 5.961 13.620 630 H ILE 88 H ILE 88 -0.895 8.299 12.435 631 HA ILE 88 HA ILE 88 0.923 9.641 10.690 632 HB ILE 88 HB ILE 88 0.417 7.678 9.281 633 HG12 ILE 88 HG12 ILE 88 -0.445 8.870 7.254 634 HG13 ILE 88 HG13 ILE 88 -0.808 10.255 8.274 635 HG21 ILE 88 HG21 ILE 88 -2.464 8.547 9.459 636 HG22 ILE 88 HG22 ILE 88 -1.763 7.071 10.127 637 HG23 ILE 88 HG23 ILE 88 -1.836 7.301 8.379 638 HD11 ILE 88 HD11 ILE 88 1.568 10.460 8.819 639 HD12 ILE 88 HD12 ILE 88 1.271 10.572 7.083 640 HD13 ILE 88 HD13 ILE 88 1.915 9.082 7.773 641 H LYS 89 H LYS 89 0.126 11.677 10.103 642 HA LYS 89 HA LYS 89 -2.638 12.289 10.879 643 HB2 LYS 89 HB2 LYS 89 -1.055 13.147 12.578 644 HB3 LYS 89 HB3 LYS 89 -0.226 14.064 11.329 645 HG2 LYS 89 HG2 LYS 89 -2.261 15.367 10.938 646 HG3 LYS 89 HG3 LYS 89 -3.081 14.449 12.203 647 HD2 LYS 89 HD2 LYS 89 -1.507 15.258 13.852 648 HD3 LYS 89 HD3 LYS 89 -0.607 16.126 12.607 649 HE2 LYS 89 HE2 LYS 89 -2.039 17.659 13.817 650 HE3 LYS 89 HE3 LYS 89 -2.599 17.498 12.155 651 HZ1 LYS 89 HZ1 LYS 89 -3.762 16.092 14.498 652 HZ2 LYS 89 HZ2 LYS 89 -4.315 15.987 12.904 653 HZ3 LYS 89 HZ3 LYS 89 -4.428 17.453 13.740 654 H TYR 90 H TYR 90 -3.779 13.144 9.309 655 HA TYR 90 HA TYR 90 -2.370 14.311 6.994 656 HB2 TYR 90 HB2 TYR 90 -5.258 13.402 7.037 657 HB3 TYR 90 HB3 TYR 90 -4.277 13.818 5.642 658 HD1 TYR 90 HD2 TYR 90 -2.167 12.332 5.243 659 HD2 TYR 90 HD1 TYR 90 -5.500 11.170 7.606 660 HE1 TYR 90 HE2 TYR 90 -1.533 9.969 4.954 661 HE2 TYR 90 HE1 TYR 90 -4.878 8.807 7.332 662 HH TYR 90 HH TYR 90 -1.879 7.826 6.156 663 H LYS 91 H LYS 91 -3.142 16.204 6.077 664 HA LYS 91 HA LYS 91 -5.157 17.705 7.577 665 HB2 LYS 91 HB2 LYS 91 -3.592 19.733 6.633 666 HB3 LYS 91 HB3 LYS 91 -3.509 19.106 8.266 667 HG2 LYS 91 HG2 LYS 91 -1.280 19.290 7.548 668 HG3 LYS 91 HG3 LYS 91 -1.649 17.574 7.440 669 HD2 LYS 91 HD2 LYS 91 -0.408 18.151 5.499 670 HD3 LYS 91 HD3 LYS 91 -2.078 17.928 4.981 671 HE2 LYS 91 HE2 LYS 91 -1.197 19.880 3.891 672 HE3 LYS 91 HE3 LYS 91 -2.377 20.404 5.088 673 HZ1 LYS 91 HZ1 LYS 91 0.579 20.449 5.411 674 HZ2 LYS 91 HZ2 LYS 91 -0.539 20.916 6.593 675 HZ3 LYS 91 HZ3 LYS 91 -0.418 21.794 5.147 676 H ASP 92 H ASP 92 -6.776 17.163 6.026 677 HA ASP 92 HA ASP 92 -6.706 18.283 3.453 678 HB2 ASP 92 HB2 ASP 92 -4.991 16.383 3.329 679 HB3 ASP 92 HB3 ASP 92 -6.353 15.284 3.486 680 H ASN 93 H ASN 93 -8.536 17.021 2.098 681 HA ASN 93 HA ASN 93 -10.794 16.500 3.844 682 HB2 ASN 93 HB2 ASN 93 -11.006 17.940 1.799 683 HB3 ASN 93 HB3 ASN 93 -10.656 16.524 0.817 684 HD21 ASN 93 HD21 ASN 93 -12.263 15.133 0.332 685 HD22 ASN 93 HD22 ASN 93 -13.895 15.299 0.883 686 H ASP 94 H ASP 94 -8.353 14.722 2.168 687 HA ASP 94 HA ASP 94 -9.920 12.265 2.511 688 HB2 ASP 94 HB2 ASP 94 -9.507 13.055 0.053 689 HB3 ASP 94 HB3 ASP 94 -7.875 12.495 0.340 690 H GLY 95 H GLY 95 -6.562 13.516 2.121 691 HA2 GLY 95 HA2 GLY 95 -5.452 12.108 4.207 692 HA3 GLY 95 HA3 GLY 95 -5.470 10.980 2.872 693 H HIS 96 H HIS 96 -4.795 14.472 2.590 694 HA HIS 96 HA HIS 96 -2.119 13.855 1.611 695 HB2 HIS 96 HB2 HIS 96 -3.724 16.369 1.830 696 HB3 HIS 96 HB3 HIS 96 -1.974 16.496 1.770 697 HD1 HIS 96 HD1 HIS 96 -4.600 16.950 -0.373 698 HD2 HIS 96 HD2 HIS 96 -1.152 14.646 -0.646 699 HE1 HIS 96 HE1 HIS 96 -4.203 16.623 -2.831 700 HE2 HIS 96 HE2 HIS 96 -2.033 15.358 -2.974 701 H THR 97 H THR 97 -0.342 13.933 2.787 702 HA THR 97 HA THR 97 -0.625 14.842 5.570 703 HB THR 97 HB THR 97 -0.431 12.477 5.673 704 HG1 THR 97 HG1 THR 97 0.831 13.077 7.287 705 HG21 THR 97 HG21 THR 97 0.416 12.005 3.457 706 HG22 THR 97 HG22 THR 97 1.416 11.214 4.675 707 HG23 THR 97 HG23 THR 97 1.986 12.685 3.887 708 H ASP 98 H ASP 98 0.983 16.047 6.451 709 HA ASP 98 HA ASP 98 2.641 17.460 4.522 710 HB2 ASP 98 HB2 ASP 98 1.196 18.531 6.364 711 HB3 ASP 98 HB3 ASP 98 2.443 18.004 7.487 712 H ALA 99 H ALA 99 2.888 14.941 6.766 713 HA ALA 99 HA ALA 99 5.631 15.333 7.541 714 HB1 ALA 99 HB1 ALA 99 3.789 12.992 7.990 715 HB2 ALA 99 HB2 ALA 99 4.003 14.366 9.075 716 HB3 ALA 99 HB3 ALA 99 5.343 13.258 8.780 717 H ILE 100 H ILE 100 4.074 13.868 4.845 718 HA ILE 100 HA ILE 100 6.583 12.480 4.207 719 HB ILE 100 HB ILE 100 3.866 11.986 2.948 720 HG12 ILE 100 HG12 ILE 100 5.459 10.291 4.896 721 HG13 ILE 100 HG13 ILE 100 4.002 11.195 5.288 722 HG21 ILE 100 HG21 ILE 100 6.503 10.549 2.595 723 HG22 ILE 100 HG22 ILE 100 5.724 11.594 1.407 724 HG23 ILE 100 HG23 ILE 100 4.967 10.069 1.871 725 HD11 ILE 100 HD11 ILE 100 2.719 9.780 3.768 726 HD12 ILE 100 HD12 ILE 100 3.533 8.832 5.014 727 HD13 ILE 100 HD13 ILE 100 4.184 8.879 3.374 728 H SER 101 H SER 101 7.797 13.895 3.247 729 HA SER 101 HA SER 101 6.874 15.962 1.502 730 HB2 SER 101 HB2 SER 101 8.888 16.207 2.914 731 HB3 SER 101 HB3 SER 101 9.675 14.917 2.009 732 HG SER 101 HG SER 101 8.883 17.474 1.058 733 H GLY 102 H GLY 102 6.131 15.552 -0.474 734 HA2 GLY 102 HA2 GLY 102 6.814 15.011 -2.760 735 HA3 GLY 102 HA3 GLY 102 7.565 13.560 -2.119 736 H ALA 103 H ALA 103 4.819 13.725 -0.405 737 HA ALA 103 HA ALA 103 3.441 11.858 -2.125 738 HB1 ALA 103 HB1 ALA 103 2.687 12.908 0.597 739 HB2 ALA 103 HB2 ALA 103 3.619 11.443 0.279 740 HB3 ALA 103 HB3 ALA 103 1.936 11.550 -0.240 741 H THR 104 H THR 104 2.556 12.882 -3.837 742 HA THR 104 HA THR 104 0.921 15.257 -3.409 743 HB THR 104 HB THR 104 0.812 15.355 -5.899 744 HG1 THR 104 HG1 THR 104 1.220 13.439 -6.761 745 HG21 THR 104 HG21 THR 104 2.520 16.609 -4.693 746 HG22 THR 104 HG22 THR 104 3.162 16.004 -6.222 747 HG23 THR 104 HG23 THR 104 3.581 15.201 -4.708 748 H ILE 105 H ILE 105 0.530 11.886 -3.888 749 HA ILE 105 HA ILE 105 -2.326 12.206 -4.427 750 HB ILE 105 HB ILE 105 -0.944 10.538 -5.694 751 HG12 ILE 105 HG12 ILE 105 -3.538 10.338 -4.983 752 HG13 ILE 105 HG13 ILE 105 -2.742 9.219 -6.071 753 HG21 ILE 105 HG21 ILE 105 -0.762 9.092 -3.065 754 HG22 ILE 105 HG22 ILE 105 0.558 9.793 -4.002 755 HG23 ILE 105 HG23 ILE 105 -0.329 8.407 -4.634 756 HD11 ILE 105 HD11 ILE 105 -3.251 8.777 -3.131 757 HD12 ILE 105 HD12 ILE 105 -2.451 7.643 -4.222 758 HD13 ILE 105 HD13 ILE 105 -4.145 8.062 -4.474 759 H LYS 106 H LYS 106 -3.912 11.210 -2.934 760 HA LYS 106 HA LYS 106 -3.316 11.660 -0.224 761 HB2 LYS 106 HB2 LYS 106 -5.672 10.459 -1.628 762 HB3 LYS 106 HB3 LYS 106 -5.579 10.502 0.126 763 HG2 LYS 106 HG2 LYS 106 -6.721 12.421 -0.258 764 HG3 LYS 106 HG3 LYS 106 -5.074 13.038 -0.265 765 HD2 LYS 106 HD2 LYS 106 -5.047 13.098 -2.663 766 HD3 LYS 106 HD3 LYS 106 -6.615 12.285 -2.746 767 HE2 LYS 106 HE2 LYS 106 -7.651 14.188 -1.612 768 HE3 LYS 106 HE3 LYS 106 -6.084 14.992 -1.532 769 HZ1 LYS 106 HZ1 LYS 106 -6.035 14.880 -3.993 770 HZ2 LYS 106 HZ2 LYS 106 -7.254 15.876 -3.369 771 HZ3 LYS 106 HZ3 LYS 106 -7.640 14.336 -3.965 772 H VAL 107 H VAL 107 -2.604 10.503 1.280 773 HA VAL 107 HA VAL 107 -1.423 7.930 0.657 774 HB VAL 107 HB VAL 107 -0.986 9.975 2.859 775 HG11 VAL 107 HG11 VAL 107 -0.362 7.769 3.720 776 HG12 VAL 107 HG12 VAL 107 1.048 8.801 3.468 777 HG13 VAL 107 HG13 VAL 107 0.668 7.522 2.313 778 HG21 VAL 107 HG21 VAL 107 0.684 9.188 0.493 779 HG22 VAL 107 HG22 VAL 107 1.113 10.395 1.707 780 HG23 VAL 107 HG23 VAL 107 -0.273 10.664 0.647 781 H LYS 108 H LYS 108 -4.311 8.866 2.017 782 HA LYS 108 HA LYS 108 -4.418 7.660 4.515 783 HB2 LYS 108 HB2 LYS 108 -6.145 9.231 3.462 784 HB3 LYS 108 HB3 LYS 108 -6.839 7.774 2.745 785 HG2 LYS 108 HG2 LYS 108 -6.944 6.800 5.057 786 HG3 LYS 108 HG3 LYS 108 -6.501 8.393 5.669 787 HD2 LYS 108 HD2 LYS 108 -8.493 9.331 4.560 788 HD3 LYS 108 HD3 LYS 108 -8.949 7.697 4.064 789 HE2 LYS 108 HE2 LYS 108 -8.545 8.581 6.916 790 HE3 LYS 108 HE3 LYS 108 -10.112 8.480 6.117 791 HZ1 LYS 108 HZ1 LYS 108 -9.823 6.118 5.859 792 HZ2 LYS 108 HZ2 LYS 108 -9.598 6.522 7.488 793 HZ3 LYS 108 HZ3 LYS 108 -8.260 6.179 6.506 794 H LYS 109 H LYS 109 -5.257 6.225 1.358 795 HA LYS 109 HA LYS 109 -6.206 3.768 2.376 796 HB2 LYS 109 HB2 LYS 109 -6.759 4.550 0.134 797 HB3 LYS 109 HB3 LYS 109 -5.074 4.427 -0.347 798 HG2 LYS 109 HG2 LYS 109 -5.132 2.027 -0.138 799 HG3 LYS 109 HG3 LYS 109 -6.767 2.077 0.513 800 HD2 LYS 109 HD2 LYS 109 -6.890 1.445 -1.790 801 HD3 LYS 109 HD3 LYS 109 -7.510 3.093 -1.640 802 HE2 LYS 109 HE2 LYS 109 -5.292 3.953 -2.327 803 HE3 LYS 109 HE3 LYS 109 -4.748 2.293 -2.555 804 HZ1 LYS 109 HZ1 LYS 109 -6.474 2.022 -4.239 805 HZ2 LYS 109 HZ2 LYS 109 -5.384 3.250 -4.645 806 HZ3 LYS 109 HZ3 LYS 109 -6.922 3.642 -4.049 807 H PHE 110 H PHE 110 -2.922 4.848 1.655 808 HA PHE 110 HA PHE 110 -1.677 2.315 1.658 809 HB2 PHE 110 HB2 PHE 110 -0.440 4.209 0.813 810 HB3 PHE 110 HB3 PHE 110 -0.583 5.052 2.350 811 HD1 PHE 110 HD1 PHE 110 0.994 2.126 0.701 812 HD2 PHE 110 HD2 PHE 110 0.991 4.755 4.042 813 HE1 PHE 110 HE1 PHE 110 3.124 1.150 1.472 814 HE2 PHE 110 HE2 PHE 110 3.109 3.785 4.821 815 HZ PHE 110 HZ PHE 110 4.171 1.978 3.549 816 H PHE 111 H PHE 111 -2.179 4.683 4.285 817 HA PHE 111 HA PHE 111 -1.035 2.912 6.233 818 HB2 PHE 111 HB2 PHE 111 -2.359 5.591 6.394 819 HB3 PHE 111 HB3 PHE 111 -2.071 4.659 7.862 820 HD1 PHE 111 HD2 PHE 111 -0.493 6.492 5.105 821 HD2 PHE 111 HD1 PHE 111 0.169 4.297 8.682 822 HE1 PHE 111 HE2 PHE 111 1.820 7.324 5.189 823 HE2 PHE 111 HE1 PHE 111 2.476 5.136 8.777 824 HZ PHE 111 HZ PHE 111 3.306 6.652 7.028 825 H ASP 112 H ASP 112 -4.292 3.584 5.122 826 HA ASP 112 HA ASP 112 -5.768 2.301 7.143 827 HB2 ASP 112 HB2 ASP 112 -6.269 2.689 4.199 828 HB3 ASP 112 HB3 ASP 112 -7.403 1.788 5.188 829 H LEU 113 H LEU 113 -4.387 1.037 4.136 830 HA LEU 113 HA LEU 113 -5.195 -1.650 4.724 831 HB2 LEU 113 HB2 LEU 113 -3.856 -0.271 2.477 832 HB3 LEU 113 HB3 LEU 113 -3.501 -1.971 2.666 833 HG LEU 113 HG LEU 113 -5.267 -1.814 1.092 834 HD11 LEU 113 HD11 LEU 113 -7.066 -3.028 2.182 835 HD12 LEU 113 HD12 LEU 113 -6.433 -2.569 3.763 836 HD13 LEU 113 HD13 LEU 113 -5.488 -3.615 2.702 837 HD21 LEU 113 HD21 LEU 113 -6.779 -0.129 3.092 838 HD22 LEU 113 HD22 LEU 113 -7.390 -0.695 1.536 839 HD23 LEU 113 HD23 LEU 113 -6.047 0.447 1.594 840 H ALA 114 H ALA 114 -2.291 0.221 5.272 841 HA ALA 114 HA ALA 114 -0.589 -1.951 5.876 842 HB1 ALA 114 HB1 ALA 114 0.799 -0.340 7.041 843 HB2 ALA 114 HB2 ALA 114 -0.517 0.834 7.013 844 HB3 ALA 114 HB3 ALA 114 0.238 0.320 5.503 845 H GLN 115 H GLN 115 -2.943 -0.161 7.811 846 HA GLN 115 HA GLN 115 -2.429 -1.404 10.315 847 HB2 GLN 115 HB2 GLN 115 -4.870 -0.071 9.155 848 HB3 GLN 115 HB3 GLN 115 -4.860 -0.730 10.784 849 HG2 GLN 115 HG2 GLN 115 -3.182 0.795 11.473 850 HG3 GLN 115 HG3 GLN 115 -2.895 1.323 9.819 851 HE21 GLN 115 HE21 GLN 115 -4.333 2.729 8.846 852 HE22 GLN 115 HE22 GLN 115 -5.515 3.617 9.747 853 H LYS 116 H LYS 116 -4.440 -2.227 7.568 854 HA LYS 116 HA LYS 116 -5.781 -4.419 8.811 855 HB2 LYS 116 HB2 LYS 116 -5.576 -3.580 5.925 856 HB3 LYS 116 HB3 LYS 116 -6.582 -4.905 6.502 857 HG2 LYS 116 HG2 LYS 116 -7.820 -3.345 7.929 858 HG3 LYS 116 HG3 LYS 116 -6.826 -2.015 7.329 859 HD2 LYS 116 HD2 LYS 116 -8.854 -1.946 6.107 860 HD3 LYS 116 HD3 LYS 116 -7.640 -2.609 5.013 861 HE2 LYS 116 HE2 LYS 116 -9.698 -3.856 4.805 862 HE3 LYS 116 HE3 LYS 116 -8.460 -4.881 5.529 863 HZ1 LYS 116 HZ1 LYS 116 -10.612 -5.094 6.638 864 HZ2 LYS 116 HZ2 LYS 116 -10.586 -3.447 7.030 865 HZ3 LYS 116 HZ3 LYS 116 -9.432 -4.490 7.693 866 H ALA 117 H ALA 117 -2.774 -4.064 7.126 867 HA ALA 117 HA ALA 117 -2.375 -6.764 6.376 868 HB1 ALA 117 HB1 ALA 117 -0.037 -6.147 6.149 869 HB2 ALA 117 HB2 ALA 117 -0.335 -4.651 7.038 870 HB3 ALA 117 HB3 ALA 117 -1.083 -4.905 5.461 871 H LEU 118 H LEU 118 -1.744 -4.972 9.312 872 HA LEU 118 HA LEU 118 -0.405 -7.308 10.492 873 HB2 LEU 118 HB2 LEU 118 -0.271 -4.398 11.305 874 HB3 LEU 118 HB3 LEU 118 0.715 -5.704 11.939 875 HG LEU 118 HG LEU 118 0.819 -5.213 9.009 876 HD11 LEU 118 HD11 LEU 118 0.910 -2.987 9.945 877 HD12 LEU 118 HD12 LEU 118 2.477 -3.476 9.297 878 HD13 LEU 118 HD13 LEU 118 2.197 -3.490 11.039 879 HD21 LEU 118 HD21 LEU 118 2.068 -7.037 10.035 880 HD22 LEU 118 HD22 LEU 118 2.883 -5.883 11.092 881 HD23 LEU 118 HD23 LEU 118 3.145 -5.820 9.348 882 H LYS 119 H LYS 119 -3.411 -6.353 10.374 883 HA LYS 119 HA LYS 119 -4.114 -5.747 13.056 884 HB2 LYS 119 HB2 LYS 119 -6.455 -5.980 12.358 885 HB3 LYS 119 HB3 LYS 119 -5.525 -4.963 11.282 886 HG2 LYS 119 HG2 LYS 119 -6.766 -6.133 9.764 887 HG3 LYS 119 HG3 LYS 119 -5.348 -7.178 9.847 888 HD2 LYS 119 HD2 LYS 119 -7.440 -8.438 9.900 889 HD3 LYS 119 HD3 LYS 119 -6.486 -8.659 11.363 890 HE2 LYS 119 HE2 LYS 119 -7.945 -6.904 12.437 891 HE3 LYS 119 HE3 LYS 119 -8.979 -7.010 11.012 892 HZ1 LYS 119 HZ1 LYS 119 -9.532 -9.213 11.481 893 HZ2 LYS 119 HZ2 LYS 119 -9.587 -8.456 12.998 894 HZ3 LYS 119 HZ3 LYS 119 -8.256 -9.415 12.573 895 H ASP 120 H ASP 120 -4.035 -8.805 11.304 896 HA ASP 120 HA ASP 120 -4.921 -10.203 13.717 897 HB2 ASP 120 HB2 ASP 120 -4.318 -11.172 10.925 898 HB3 ASP 120 HB3 ASP 120 -4.567 -12.283 12.265 899 H ALA 121 H ALA 121 -2.132 -9.164 12.189 900 HA ALA 121 HA ALA 121 0.077 -9.539 12.229 901 HB1 ALA 121 HB1 ALA 121 -0.459 -10.560 15.006 902 HB2 ALA 121 HB2 ALA 121 -0.275 -8.868 14.537 903 HB3 ALA 121 HB3 ALA 121 1.081 -9.980 14.368 904 H GLU 122 H GLU 122 -1.663 -11.788 11.318 905 HA GLU 122 HA GLU 122 0.565 -13.581 10.897 906 HB2 GLU 122 HB2 GLU 122 -0.773 -15.601 11.364 907 HB3 GLU 122 HB3 GLU 122 -0.512 -14.614 12.793 908 HG2 GLU 122 HG2 GLU 122 -2.779 -13.736 12.620 909 HG3 GLU 122 HG3 GLU 122 -3.043 -14.698 11.162 910 H LYS 123 H LYS 123 -1.128 -11.589 9.411 911 HA LYS 123 HA LYS 123 -2.419 -13.207 7.365 912 HB2 LYS 123 HB2 LYS 123 -2.043 -10.211 7.587 913 HB3 LYS 123 HB3 LYS 123 -2.912 -11.010 6.288 914 HG2 LYS 123 HG2 LYS 123 -4.529 -11.876 7.935 915 HG3 LYS 123 HG3 LYS 123 -3.671 -11.002 9.205 916 HD2 LYS 123 HD2 LYS 123 -5.600 -9.715 8.486 917 HD3 LYS 123 HD3 LYS 123 -4.120 -8.881 8.006 918 HE2 LYS 123 HE2 LYS 123 -4.355 -9.858 5.751 919 HE3 LYS 123 HE3 LYS 123 -5.879 -10.579 6.248 920 HZ1 LYS 123 HZ1 LYS 123 -5.333 -7.668 6.240 921 HZ2 LYS 123 HZ2 LYS 123 -6.823 -8.419 6.525 922 HZ3 LYS 123 HZ3 LYS 123 -6.117 -8.493 4.988 923 H LEU 124 H LEU 124 -0.553 -14.350 6.597 924 HA LEU 124 HA LEU 124 1.635 -12.701 5.545 925 HB2 LEU 124 HB2 LEU 124 2.004 -14.540 7.282 926 HB3 LEU 124 HB3 LEU 124 1.664 -15.680 6.003 927 HG LEU 124 HG LEU 124 3.877 -13.680 5.621 928 HD11 LEU 124 HD11 LEU 124 5.435 -15.261 6.661 929 HD12 LEU 124 HD12 LEU 124 4.073 -16.253 7.186 930 HD13 LEU 124 HD13 LEU 124 4.277 -14.621 7.826 931 HD21 LEU 124 HD21 LEU 124 4.872 -15.493 4.322 932 HD22 LEU 124 HD22 LEU 124 3.247 -15.130 3.739 933 HD23 LEU 124 HD23 LEU 124 3.526 -16.554 4.744 934 H GLU 125 H GLU 125 2.034 -12.553 3.470 935 HA GLU 125 HA GLU 125 1.285 -14.720 1.666 936 HB2 GLU 125 HB2 GLU 125 -0.506 -13.035 1.485 937 HB3 GLU 125 HB3 GLU 125 0.690 -11.807 1.119 938 HG2 GLU 125 HG2 GLU 125 -0.455 -12.544 -0.891 939 HG3 GLU 125 HG3 GLU 125 1.260 -12.949 -0.957 940 H HIS 126 H HIS 126 3.113 -15.363 0.881 941 HA HIS 126 HA HIS 126 5.129 -15.536 -0.095 942 HB2 HIS 126 HB2 HIS 126 4.633 -12.696 -1.001 943 HB3 HIS 126 HB3 HIS 126 5.961 -13.701 -1.558 944 HD1 HIS 126 HD1 HIS 126 3.324 -12.467 -3.105 945 HD2 HIS 126 HD2 HIS 126 4.229 -16.425 -2.207 946 HE1 HIS 126 HE1 HIS 126 2.007 -13.847 -4.744 947 HE2 HIS 126 HE2 HIS 126 2.405 -16.230 -4.042 948 H HIS 127 H HIS 127 6.330 -15.872 1.690 949 HA HIS 127 HA HIS 127 7.075 -13.774 3.484 950 HB2 HIS 127 HB2 HIS 127 6.652 -16.042 4.277 951 HB3 HIS 127 HB3 HIS 127 7.962 -16.659 3.289 952 HD1 HIS 127 HD1 HIS 127 9.178 -17.657 5.301 953 HD2 HIS 127 HD2 HIS 127 8.598 -13.551 5.607 954 HE1 HIS 127 HE1 HIS 127 10.608 -16.912 7.230 955 HE2 HIS 127 HE2 HIS 127 10.061 -14.478 7.539 956 H HIS 128 H HIS 128 8.436 -12.315 2.933 957 HA HIS 128 HA HIS 128 11.117 -13.136 2.126 958 HB2 HIS 128 HB2 HIS 128 11.326 -11.035 0.765 959 HB3 HIS 128 HB3 HIS 128 10.255 -12.243 0.090 960 HD1 HIS 128 HD1 HIS 128 8.053 -11.406 -0.688 961 HD2 HIS 128 HD2 HIS 128 9.822 -8.789 2.009 962 HE1 HIS 128 HE1 HIS 128 6.636 -9.329 -0.734 963 HE2 HIS 128 HE2 HIS 128 7.908 -7.667 0.677 964 H HIS 129 H HIS 129 12.792 -11.893 2.945 965 HA HIS 129 HA HIS 129 12.269 -9.609 4.608 966 HB2 HIS 129 HB2 HIS 129 13.387 -10.546 6.645 967 HB3 HIS 129 HB3 HIS 129 11.816 -11.238 6.305 968 HD1 HIS 129 HD1 HIS 129 12.580 -13.160 7.951 969 HD2 HIS 129 HD2 HIS 129 14.712 -12.958 4.379 970 HE1 HIS 129 HE1 HIS 129 13.826 -15.346 7.773 971 HE2 HIS 129 HE2 HIS 129 15.227 -15.132 5.694 972 H HIS 130 H HIS 130 13.566 -9.710 2.281 973 HA HIS 130 HA HIS 130 16.340 -10.520 2.669 974 HB2 HIS 130 HB2 HIS 130 14.831 -11.326 0.782 975 HB3 HIS 130 HB3 HIS 130 15.003 -9.722 0.091 976 HD1 HIS 130 HD1 HIS 130 17.440 -12.345 1.397 977 HD2 HIS 130 HD2 HIS 130 16.917 -9.745 -1.808 978 HE1 HIS 130 HE1 HIS 130 19.444 -12.685 -0.083 979 HE2 HIS 130 HE2 HIS 130 19.147 -11.059 -1.979 980 H HIS 131 H HIS 131 14.664 -7.594 2.828 981 HA HIS 131 HA HIS 131 16.722 -6.014 1.484 982 HB2 HIS 131 HB2 HIS 131 14.253 -5.127 2.993 983 HB3 HIS 131 HB3 HIS 131 15.376 -4.040 2.192 984 HD1 HIS 131 HD1 HIS 131 14.470 -3.241 0.055 985 HD2 HIS 131 HD2 HIS 131 13.217 -7.117 0.874 986 HE1 HIS 131 HE1 HIS 131 12.904 -3.854 -1.811 987 HE2 HIS 131 HE2 HIS 131 12.003 -6.118 -1.181 Start of MODEL 7 1 H1 MET 1 H1 MET 1 4.471 -9.382 17.393 2 H2 MET 1 H2 MET 1 3.413 -10.691 17.187 3 H3 MET 1 H3 MET 1 2.828 -9.106 17.080 4 HA MET 1 HA MET 1 3.045 -10.107 14.902 5 HB2 MET 1 HB2 MET 1 3.375 -7.657 15.249 6 HB3 MET 1 HB3 MET 1 5.103 -7.938 15.411 7 HG2 MET 1 HG2 MET 1 5.330 -8.540 13.158 8 HG3 MET 1 HG3 MET 1 3.592 -8.742 12.952 9 HE1 MET 1 HE1 MET 1 5.593 -4.600 13.459 10 HE2 MET 1 HE2 MET 1 6.522 -6.099 13.384 11 HE3 MET 1 HE3 MET 1 5.470 -5.782 14.766 12 H LYS 2 H LYS 2 4.092 -11.522 13.655 13 HA LYS 2 HA LYS 2 6.655 -12.558 14.649 14 HB2 LYS 2 HB2 LYS 2 5.975 -14.703 13.609 15 HB3 LYS 2 HB3 LYS 2 4.829 -14.172 14.831 16 HG2 LYS 2 HG2 LYS 2 3.547 -13.156 12.806 17 HG3 LYS 2 HG3 LYS 2 4.515 -14.286 11.861 18 HD2 LYS 2 HD2 LYS 2 2.393 -15.298 12.395 19 HD3 LYS 2 HD3 LYS 2 3.670 -16.131 13.283 20 HE2 LYS 2 HE2 LYS 2 3.118 -14.884 15.291 21 HE3 LYS 2 HE3 LYS 2 1.905 -13.961 14.408 22 HZ1 LYS 2 HZ1 LYS 2 1.053 -15.833 15.795 23 HZ2 LYS 2 HZ2 LYS 2 1.783 -16.904 14.704 24 HZ3 LYS 2 HZ3 LYS 2 0.557 -15.856 14.177 25 H ASP 3 H ASP 3 8.137 -13.387 12.950 26 HA ASP 3 HA ASP 3 8.223 -11.473 10.813 27 HB2 ASP 3 HB2 ASP 3 10.403 -12.287 10.268 28 HB3 ASP 3 HB3 ASP 3 10.292 -12.133 12.014 29 H GLY 4 H GLY 4 7.515 -11.651 8.924 30 HA2 GLY 4 HA2 GLY 4 7.664 -13.865 7.229 31 HA3 GLY 4 HA3 GLY 4 6.039 -13.801 7.908 32 H THR 5 H THR 5 4.958 -13.186 6.082 33 HA THR 5 HA THR 5 5.389 -10.387 5.382 34 HB THR 5 HB THR 5 4.795 -12.524 3.315 35 HG1 THR 5 HG1 THR 5 7.150 -11.486 4.316 36 HG21 THR 5 HG21 THR 5 3.815 -10.359 2.773 37 HG22 THR 5 HG22 THR 5 5.176 -10.708 1.704 38 HG23 THR 5 HG23 THR 5 5.371 -9.574 3.042 39 H TYR 6 H TYR 6 3.676 -9.298 5.747 40 HA TYR 6 HA TYR 6 1.055 -10.612 6.020 41 HB2 TYR 6 HB2 TYR 6 2.105 -7.927 6.972 42 HB3 TYR 6 HB3 TYR 6 0.453 -8.486 7.205 43 HD1 TYR 6 HD2 TYR 6 3.986 -9.256 8.118 44 HD2 TYR 6 HD1 TYR 6 -0.128 -9.764 8.992 45 HE1 TYR 6 HE2 TYR 6 4.575 -10.296 10.271 46 HE2 TYR 6 HE1 TYR 6 0.444 -10.783 11.123 47 HH TYR 6 HH TYR 6 2.281 -11.949 12.168 48 H TYR 7 H TYR 7 -0.721 -9.775 4.809 49 HA TYR 7 HA TYR 7 -0.204 -7.335 3.313 50 HB2 TYR 7 HB2 TYR 7 -0.339 -8.206 1.227 51 HB3 TYR 7 HB3 TYR 7 0.074 -9.720 2.001 52 HD1 TYR 7 HD2 TYR 7 -1.844 -11.322 2.600 53 HD2 TYR 7 HD1 TYR 7 -2.320 -7.925 0.090 54 HE1 TYR 7 HE2 TYR 7 -3.936 -12.267 1.726 55 HE2 TYR 7 HE1 TYR 7 -4.408 -8.849 -0.789 56 HH TYR 7 HH TYR 7 -5.619 -10.818 -0.967 57 H ALA 8 H ALA 8 -2.149 -6.219 2.665 58 HA ALA 8 HA ALA 8 -4.675 -7.498 3.399 59 HB1 ALA 8 HB1 ALA 8 -3.964 -4.672 4.130 60 HB2 ALA 8 HB2 ALA 8 -4.133 -6.018 5.259 61 HB3 ALA 8 HB3 ALA 8 -5.534 -5.438 4.354 62 H GLU 9 H GLU 9 -6.364 -6.941 2.050 63 HA GLU 9 HA GLU 9 -5.626 -5.274 -0.271 64 HB2 GLU 9 HB2 GLU 9 -7.266 -6.661 -1.551 65 HB3 GLU 9 HB3 GLU 9 -5.844 -7.535 -1.014 66 HG2 GLU 9 HG2 GLU 9 -7.046 -8.631 0.697 67 HG3 GLU 9 HG3 GLU 9 -8.449 -7.586 0.478 68 H ALA 10 H ALA 10 -7.196 -3.942 -1.165 69 HA ALA 10 HA ALA 10 -8.918 -2.583 0.519 70 HB1 ALA 10 HB1 ALA 10 -9.069 -2.832 -2.481 71 HB2 ALA 10 HB2 ALA 10 -8.050 -1.704 -1.583 72 HB3 ALA 10 HB3 ALA 10 -9.806 -1.559 -1.507 73 H ASP 11 H ASP 11 -11.155 -2.469 0.713 74 HA ASP 11 HA ASP 11 -12.485 -4.918 1.069 75 HB2 ASP 11 HB2 ASP 11 -12.991 -2.890 2.377 76 HB3 ASP 11 HB3 ASP 11 -13.633 -2.116 0.932 77 H ASP 12 H ASP 12 -12.939 -2.402 -1.377 78 HA ASP 12 HA ASP 12 -14.004 -4.473 -3.172 79 HB2 ASP 12 HB2 ASP 12 -15.680 -2.687 -2.347 80 HB3 ASP 12 HB3 ASP 12 -14.757 -1.539 -3.303 81 H PHE 13 H PHE 13 -13.518 -3.868 -5.528 82 HA PHE 13 HA PHE 13 -10.777 -3.116 -5.832 83 HB2 PHE 13 HB2 PHE 13 -12.973 -3.554 -7.859 84 HB3 PHE 13 HB3 PHE 13 -11.334 -3.112 -8.313 85 HD1 PHE 13 HD1 PHE 13 -9.519 -4.685 -8.083 86 HD2 PHE 13 HD2 PHE 13 -13.499 -5.766 -7.056 87 HE1 PHE 13 HE1 PHE 13 -8.865 -7.054 -8.081 88 HE2 PHE 13 HE2 PHE 13 -12.856 -8.137 -7.052 89 HZ PHE 13 HZ PHE 13 -10.539 -8.787 -7.566 90 H ASP 14 H ASP 14 -9.887 -1.263 -6.599 91 HA ASP 14 HA ASP 14 -11.311 1.178 -6.179 92 HB2 ASP 14 HB2 ASP 14 -8.544 0.406 -6.858 93 HB3 ASP 14 HB3 ASP 14 -9.055 1.988 -7.451 94 H GLU 15 H GLU 15 -10.726 2.950 -8.052 95 HA GLU 15 HA GLU 15 -12.835 2.446 -9.840 96 HB2 GLU 15 HB2 GLU 15 -10.796 4.670 -9.915 97 HB3 GLU 15 HB3 GLU 15 -12.309 4.641 -10.810 98 HG2 GLU 15 HG2 GLU 15 -11.956 4.767 -7.827 99 HG3 GLU 15 HG3 GLU 15 -12.557 6.037 -8.885 100 H SER 16 H SER 16 -9.345 2.198 -10.312 101 HA SER 16 HA SER 16 -9.639 1.818 -13.170 102 HB2 SER 16 HB2 SER 16 -7.208 1.519 -11.403 103 HB3 SER 16 HB3 SER 16 -7.209 1.531 -13.166 104 HG SER 16 HG SER 16 -6.704 3.564 -11.999 105 H GLY 17 H GLY 17 -10.334 -0.163 -10.666 106 HA2 GLY 17 HA2 GLY 17 -10.952 -2.406 -10.786 107 HA3 GLY 17 HA3 GLY 17 -10.080 -2.545 -12.306 108 H TRP 18 H TRP 18 -8.910 -1.431 -9.146 109 HA TRP 18 HA TRP 18 -7.106 -3.749 -9.021 110 HB2 TRP 18 HB2 TRP 18 -6.265 -0.854 -8.732 111 HB3 TRP 18 HB3 TRP 18 -5.247 -2.224 -8.316 112 HD1 TRP 18 HD1 TRP 18 -6.561 -0.253 -11.288 113 HE1 TRP 18 HE1 TRP 18 -5.247 -0.915 -13.389 114 HE3 TRP 18 HE3 TRP 18 -3.929 -4.196 -9.401 115 HZ2 TRP 18 HZ2 TRP 18 -3.334 -2.830 -14.149 116 HZ3 TRP 18 HZ3 TRP 18 -2.375 -5.379 -10.880 117 HH2 TRP 18 HH2 TRP 18 -2.085 -4.713 -13.200 118 H LYS 19 H LYS 19 -7.575 -4.723 -7.120 119 HA LYS 19 HA LYS 19 -8.340 -3.278 -4.757 120 HB2 LYS 19 HB2 LYS 19 -7.805 -6.083 -5.494 121 HB3 LYS 19 HB3 LYS 19 -7.418 -5.668 -3.836 122 HG2 LYS 19 HG2 LYS 19 -9.711 -4.868 -3.517 123 HG3 LYS 19 HG3 LYS 19 -10.086 -5.351 -5.178 124 HD2 LYS 19 HD2 LYS 19 -9.390 -7.658 -4.606 125 HD3 LYS 19 HD3 LYS 19 -9.176 -7.140 -2.932 126 HE2 LYS 19 HE2 LYS 19 -11.531 -6.515 -2.830 127 HE3 LYS 19 HE3 LYS 19 -11.735 -7.043 -4.504 128 HZ1 LYS 19 HZ1 LYS 19 -10.847 -8.783 -2.272 129 HZ2 LYS 19 HZ2 LYS 19 -11.162 -9.274 -3.863 130 HZ3 LYS 19 HZ3 LYS 19 -12.430 -8.730 -2.878 131 H ASP 20 H ASP 20 -6.890 -1.930 -3.828 132 HA ASP 20 HA ASP 20 -4.103 -2.278 -4.278 133 HB2 ASP 20 HB2 ASP 20 -3.793 -0.208 -3.344 134 HB3 ASP 20 HB3 ASP 20 -5.462 -0.090 -3.869 135 H THR 21 H THR 21 -2.582 -3.127 -3.044 136 HA THR 21 HA THR 21 -3.441 -4.131 -0.442 137 HB THR 21 HB THR 21 -2.076 -6.110 -0.672 138 HG1 THR 21 HG1 THR 21 -1.364 -6.326 -3.107 139 HG21 THR 21 HG21 THR 21 -4.348 -6.285 -1.544 140 HG22 THR 21 HG22 THR 21 -3.236 -7.293 -2.474 141 HG23 THR 21 HG23 THR 21 -3.788 -5.750 -3.128 142 H VAL 22 H VAL 22 -2.159 -3.842 1.198 143 HA VAL 22 HA VAL 22 0.467 -2.638 0.639 144 HB VAL 22 HB VAL 22 -1.329 -2.043 3.006 145 HG11 VAL 22 HG11 VAL 22 1.487 -1.079 2.470 146 HG12 VAL 22 HG12 VAL 22 1.008 -2.207 3.740 147 HG13 VAL 22 HG13 VAL 22 0.444 -0.534 3.783 148 HG21 VAL 22 HG21 VAL 22 -0.236 -0.276 0.809 149 HG22 VAL 22 HG22 VAL 22 -1.203 0.273 2.177 150 HG23 VAL 22 HG23 VAL 22 -1.908 -0.812 0.977 151 H THR 23 H THR 23 1.873 -4.055 0.851 152 HA THR 23 HA THR 23 1.382 -6.379 2.541 153 HB THR 23 HB THR 23 3.387 -6.039 0.306 154 HG1 THR 23 HG1 THR 23 1.815 -6.346 -1.070 155 HG21 THR 23 HG21 THR 23 3.791 -7.919 1.808 156 HG22 THR 23 HG22 THR 23 3.311 -8.465 0.198 157 HG23 THR 23 HG23 THR 23 2.148 -8.491 1.527 158 H ILE 24 H ILE 24 2.400 -6.316 4.456 159 HA ILE 24 HA ILE 24 4.715 -4.579 4.833 160 HB ILE 24 HB ILE 24 3.109 -6.128 6.886 161 HG12 ILE 24 HG12 ILE 24 1.740 -4.472 5.654 162 HG13 ILE 24 HG13 ILE 24 1.913 -4.074 7.360 163 HG21 ILE 24 HG21 ILE 24 4.116 -4.600 8.520 164 HG22 ILE 24 HG22 ILE 24 5.085 -3.874 7.237 165 HG23 ILE 24 HG23 ILE 24 5.331 -5.563 7.680 166 HD11 ILE 24 HD11 ILE 24 2.050 -2.088 5.965 167 HD12 ILE 24 HD12 ILE 24 3.403 -2.789 5.076 168 HD13 ILE 24 HD13 ILE 24 3.589 -2.379 6.782 169 H GLU 25 H GLU 25 6.712 -5.448 4.687 170 HA GLU 25 HA GLU 25 7.027 -8.312 5.115 171 HB2 GLU 25 HB2 GLU 25 8.103 -7.436 3.116 172 HB3 GLU 25 HB3 GLU 25 8.987 -6.255 4.072 173 HG2 GLU 25 HG2 GLU 25 10.308 -7.938 5.087 174 HG3 GLU 25 HG3 GLU 25 9.300 -9.221 4.430 175 H VAL 26 H VAL 26 7.199 -8.878 7.100 176 HA VAL 26 HA VAL 26 8.705 -7.233 8.992 177 HB VAL 26 HB VAL 26 6.729 -9.478 9.503 178 HG11 VAL 26 HG11 VAL 26 8.437 -9.436 11.247 179 HG12 VAL 26 HG12 VAL 26 6.883 -8.876 11.867 180 HG13 VAL 26 HG13 VAL 26 8.154 -7.711 11.491 181 HG21 VAL 26 HG21 VAL 26 5.674 -7.431 8.722 182 HG22 VAL 26 HG22 VAL 26 6.516 -6.509 9.968 183 HG23 VAL 26 HG23 VAL 26 5.310 -7.713 10.424 184 H LYS 27 H LYS 27 10.642 -7.845 9.538 185 HA LYS 27 HA LYS 27 11.451 -10.644 9.199 186 HB2 LYS 27 HB2 LYS 27 12.074 -9.160 7.243 187 HB3 LYS 27 HB3 LYS 27 13.094 -8.264 8.355 188 HG2 LYS 27 HG2 LYS 27 14.521 -10.136 8.683 189 HG3 LYS 27 HG3 LYS 27 13.405 -11.201 7.817 190 HD2 LYS 27 HD2 LYS 27 14.887 -8.857 6.623 191 HD3 LYS 27 HD3 LYS 27 15.294 -10.561 6.399 192 HE2 LYS 27 HE2 LYS 27 13.216 -10.965 5.254 193 HE3 LYS 27 HE3 LYS 27 12.646 -9.342 5.628 194 HZ1 LYS 27 HZ1 LYS 27 14.825 -10.105 3.773 195 HZ2 LYS 27 HZ2 LYS 27 14.554 -8.512 4.275 196 HZ3 LYS 27 HZ3 LYS 27 13.362 -9.333 3.399 197 H ASN 28 H ASN 28 12.410 -11.369 10.922 198 HA ASN 28 HA ASN 28 13.130 -11.552 13.051 199 HB2 ASN 28 HB2 ASN 28 14.662 -9.071 12.270 200 HB3 ASN 28 HB3 ASN 28 14.924 -9.941 13.779 201 HD21 ASN 28 HD21 ASN 28 15.428 -9.877 10.389 202 HD22 ASN 28 HD22 ASN 28 16.454 -11.269 10.286 203 H GLY 29 H GLY 29 10.614 -10.471 12.877 204 HA2 GLY 29 HA2 GLY 29 9.072 -9.701 14.403 205 HA3 GLY 29 HA3 GLY 29 10.392 -9.179 15.425 206 H LYS 30 H LYS 30 11.248 -7.599 12.790 207 HA LYS 30 HA LYS 30 9.534 -5.285 13.429 208 HB2 LYS 30 HB2 LYS 30 11.505 -3.854 13.083 209 HB3 LYS 30 HB3 LYS 30 11.750 -4.995 14.396 210 HG2 LYS 30 HG2 LYS 30 13.123 -6.393 12.972 211 HG3 LYS 30 HG3 LYS 30 12.816 -5.333 11.596 212 HD2 LYS 30 HD2 LYS 30 14.991 -4.842 12.515 213 HD3 LYS 30 HD3 LYS 30 13.907 -3.485 12.824 214 HE2 LYS 30 HE2 LYS 30 13.545 -4.313 15.106 215 HE3 LYS 30 HE3 LYS 30 14.658 -5.643 14.789 216 HZ1 LYS 30 HZ1 LYS 30 15.370 -2.768 14.678 217 HZ2 LYS 30 HZ2 LYS 30 16.431 -4.073 14.470 218 HZ3 LYS 30 HZ3 LYS 30 15.706 -3.803 15.973 219 H ILE 31 H ILE 31 9.400 -3.623 11.677 220 HA ILE 31 HA ILE 31 9.032 -4.927 9.120 221 HB ILE 31 HB ILE 31 8.651 -2.001 9.813 222 HG12 ILE 31 HG12 ILE 31 6.568 -4.197 9.749 223 HG13 ILE 31 HG13 ILE 31 7.260 -3.527 11.222 224 HG21 ILE 31 HG21 ILE 31 8.843 -2.396 7.421 225 HG22 ILE 31 HG22 ILE 31 7.184 -1.970 7.840 226 HG23 ILE 31 HG23 ILE 31 7.603 -3.650 7.509 227 HD11 ILE 31 HD11 ILE 31 6.312 -1.353 10.697 228 HD12 ILE 31 HD12 ILE 31 5.056 -2.592 10.728 229 HD13 ILE 31 HD13 ILE 31 5.664 -1.989 9.184 230 H VAL 32 H VAL 32 10.717 -5.169 7.758 231 HA VAL 32 HA VAL 32 12.838 -3.139 7.863 232 HB VAL 32 HB VAL 32 14.345 -4.715 6.844 233 HG11 VAL 32 HG11 VAL 32 14.461 -6.419 8.599 234 HG12 VAL 32 HG12 VAL 32 12.833 -5.985 9.120 235 HG13 VAL 32 HG13 VAL 32 14.143 -4.813 9.255 236 HG21 VAL 32 HG21 VAL 32 12.034 -6.651 6.742 237 HG22 VAL 32 HG22 VAL 32 13.712 -7.027 6.345 238 HG23 VAL 32 HG23 VAL 32 12.807 -5.878 5.358 239 H SER 33 H SER 33 10.255 -4.226 5.976 240 HA SER 33 HA SER 33 10.937 -2.494 3.789 241 HB2 SER 33 HB2 SER 33 12.176 -4.639 3.291 242 HB3 SER 33 HB3 SER 33 10.618 -5.456 3.236 243 HG SER 33 HG SER 33 11.091 -4.927 1.169 244 H VAL 34 H VAL 34 9.158 -2.371 2.258 245 HA VAL 34 HA VAL 34 6.685 -3.641 3.017 246 HB VAL 34 HB VAL 34 6.603 -1.644 4.392 247 HG11 VAL 34 HG11 VAL 34 6.581 0.599 3.442 248 HG12 VAL 34 HG12 VAL 34 6.973 -0.085 1.863 249 HG13 VAL 34 HG13 VAL 34 8.120 -0.226 3.195 250 HG21 VAL 34 HG21 VAL 34 4.481 -2.369 3.498 251 HG22 VAL 34 HG22 VAL 34 4.738 -1.419 2.035 252 HG23 VAL 34 HG23 VAL 34 4.521 -0.607 3.586 253 H ASP 35 H ASP 35 5.302 -3.869 1.418 254 HA ASP 35 HA ASP 35 6.398 -3.521 -1.276 255 HB2 ASP 35 HB2 ASP 35 6.324 -5.831 -0.537 256 HB3 ASP 35 HB3 ASP 35 4.642 -5.664 -0.055 257 H TRP 36 H TRP 36 5.193 -2.637 -2.799 258 HA TRP 36 HA TRP 36 2.419 -2.007 -2.165 259 HB2 TRP 36 HB2 TRP 36 2.885 -0.288 -4.164 260 HB3 TRP 36 HB3 TRP 36 3.116 0.108 -2.471 261 HD1 TRP 36 HD1 TRP 36 5.575 0.549 -1.638 262 HE1 TRP 36 HE1 TRP 36 7.787 0.997 -2.872 263 HE3 TRP 36 HE3 TRP 36 4.209 -0.982 -6.321 264 HZ2 TRP 36 HZ2 TRP 36 8.812 0.729 -5.484 265 HZ3 TRP 36 HZ3 TRP 36 5.865 -0.851 -8.129 266 HH2 TRP 36 HH2 TRP 36 8.116 -0.014 -7.718 267 H ASN 37 H ASN 37 0.955 -2.961 -3.244 268 HA ASN 37 HA ASN 37 1.411 -4.011 -5.922 269 HB2 ASN 37 HB2 ASN 37 2.211 -5.813 -4.489 270 HB3 ASN 37 HB3 ASN 37 0.798 -5.691 -3.461 271 HD21 ASN 37 HD21 ASN 37 2.073 -6.876 -6.464 272 HD22 ASN 37 HD22 ASN 37 0.750 -7.936 -6.824 273 H ALA 38 H ALA 38 -0.659 -4.702 -6.878 274 HA ALA 38 HA ALA 38 -3.090 -4.248 -5.392 275 HB1 ALA 38 HB1 ALA 38 -2.552 -2.745 -7.962 276 HB2 ALA 38 HB2 ALA 38 -2.699 -2.030 -6.355 277 HB3 ALA 38 HB3 ALA 38 -4.093 -2.807 -7.105 278 H ILE 39 H ILE 39 -4.870 -5.340 -6.374 279 HA ILE 39 HA ILE 39 -3.886 -7.567 -8.009 280 HB ILE 39 HB ILE 39 -6.473 -7.486 -6.431 281 HG12 ILE 39 HG12 ILE 39 -3.804 -8.639 -5.566 282 HG13 ILE 39 HG13 ILE 39 -4.472 -7.127 -4.967 283 HG21 ILE 39 HG21 ILE 39 -4.828 -9.748 -7.580 284 HG22 ILE 39 HG22 ILE 39 -6.393 -9.183 -8.171 285 HG23 ILE 39 HG23 ILE 39 -6.274 -9.950 -6.587 286 HD11 ILE 39 HD11 ILE 39 -6.356 -8.337 -4.005 287 HD12 ILE 39 HD12 ILE 39 -4.814 -8.931 -3.385 288 HD13 ILE 39 HD13 ILE 39 -5.688 -9.854 -4.608 289 H ASN 40 H ASN 40 -4.539 -7.879 -9.991 290 HA ASN 40 HA ASN 40 -6.185 -5.936 -11.309 291 HB2 ASN 40 HB2 ASN 40 -4.154 -6.983 -12.316 292 HB3 ASN 40 HB3 ASN 40 -5.023 -8.513 -12.381 293 HD21 ASN 40 HD21 ASN 40 -4.813 -5.282 -13.678 294 HD22 ASN 40 HD22 ASN 40 -5.712 -5.599 -15.118 295 H LYS 41 H LYS 41 -8.243 -6.001 -11.687 296 HA LYS 41 HA LYS 41 -9.957 -7.993 -10.640 297 HB2 LYS 41 HB2 LYS 41 -10.570 -5.639 -10.734 298 HB3 LYS 41 HB3 LYS 41 -10.487 -5.661 -12.487 299 HG2 LYS 41 HG2 LYS 41 -12.360 -7.364 -12.418 300 HG3 LYS 41 HG3 LYS 41 -12.524 -6.959 -10.707 301 HD2 LYS 41 HD2 LYS 41 -12.918 -4.633 -11.273 302 HD3 LYS 41 HD3 LYS 41 -12.670 -4.988 -12.979 303 HE2 LYS 41 HE2 LYS 41 -14.846 -6.218 -11.295 304 HE3 LYS 41 HE3 LYS 41 -15.066 -4.795 -12.310 305 HZ1 LYS 41 HZ1 LYS 41 -14.297 -7.513 -13.242 306 HZ2 LYS 41 HZ2 LYS 41 -14.427 -6.145 -14.232 307 HZ3 LYS 41 HZ3 LYS 41 -15.802 -6.763 -13.459 308 H ASP 42 H ASP 42 -8.746 -7.360 -13.872 309 HA ASP 42 HA ASP 42 -10.817 -8.800 -15.224 310 HB2 ASP 42 HB2 ASP 42 -9.665 -6.845 -16.198 311 HB3 ASP 42 HB3 ASP 42 -8.168 -7.765 -16.259 312 H GLY 43 H GLY 43 -7.509 -9.536 -14.241 313 HA2 GLY 43 HA2 GLY 43 -7.176 -11.858 -13.529 314 HA3 GLY 43 HA3 GLY 43 -8.064 -12.343 -14.962 315 H GLY 44 H GLY 44 -5.395 -10.031 -14.533 316 HA2 GLY 44 HA2 GLY 44 -3.791 -11.717 -16.354 317 HA3 GLY 44 HA3 GLY 44 -3.598 -9.974 -16.186 318 H ASP 45 H ASP 45 -1.700 -9.588 -15.277 319 HA ASP 45 HA ASP 45 -0.880 -11.168 -12.940 320 HB2 ASP 45 HB2 ASP 45 0.649 -9.104 -14.541 321 HB3 ASP 45 HB3 ASP 45 1.288 -9.951 -13.139 322 H ASP 46 H ASP 46 0.376 -9.496 -11.315 323 HA ASP 46 HA ASP 46 -1.745 -7.625 -10.554 324 HB2 ASP 46 HB2 ASP 46 0.550 -8.813 -9.016 325 HB3 ASP 46 HB3 ASP 46 -0.394 -7.467 -8.386 326 H LYS 47 H LYS 47 -0.443 -5.725 -9.093 327 HA LYS 47 HA LYS 47 0.033 -3.789 -11.011 328 HB2 LYS 47 HB2 LYS 47 -0.638 -3.350 -8.689 329 HB3 LYS 47 HB3 LYS 47 0.965 -3.807 -8.132 330 HG2 LYS 47 HG2 LYS 47 0.776 -1.421 -8.117 331 HG3 LYS 47 HG3 LYS 47 1.906 -1.889 -9.386 332 HD2 LYS 47 HD2 LYS 47 0.561 -0.191 -10.310 333 HD3 LYS 47 HD3 LYS 47 -0.039 -1.698 -10.996 334 HE2 LYS 47 HE2 LYS 47 -1.840 -1.699 -9.297 335 HE3 LYS 47 HE3 LYS 47 -1.260 -0.133 -8.727 336 HZ1 LYS 47 HZ1 LYS 47 -3.068 0.202 -10.243 337 HZ2 LYS 47 HZ2 LYS 47 -2.324 -0.751 -11.420 338 HZ3 LYS 47 HZ3 LYS 47 -1.643 0.731 -10.988 339 H ASP 48 H ASP 48 2.567 -5.345 -9.020 340 HA ASP 48 HA ASP 48 4.682 -3.985 -10.432 341 HB2 ASP 48 HB2 ASP 48 6.192 -5.253 -8.965 342 HB3 ASP 48 HB3 ASP 48 4.890 -4.517 -8.030 343 H THR 49 H THR 49 3.142 -7.114 -10.562 344 HA THR 49 HA THR 49 5.192 -8.473 -11.979 345 HB THR 49 HB THR 49 2.309 -9.329 -11.975 346 HG1 THR 49 HG1 THR 49 4.013 -8.951 -9.787 347 HG21 THR 49 HG21 THR 49 3.310 -11.558 -11.744 348 HG22 THR 49 HG22 THR 49 4.917 -10.833 -11.689 349 HG23 THR 49 HG23 THR 49 3.948 -10.719 -13.159 350 H LEU 50 H LEU 50 2.239 -6.808 -12.906 351 HA LEU 50 HA LEU 50 2.371 -7.376 -15.685 352 HB2 LEU 50 HB2 LEU 50 0.816 -5.572 -13.949 353 HB3 LEU 50 HB3 LEU 50 0.983 -5.063 -15.616 354 HG LEU 50 HG LEU 50 -0.169 -7.693 -14.679 355 HD11 LEU 50 HD11 LEU 50 -1.466 -5.265 -15.895 356 HD12 LEU 50 HD12 LEU 50 -1.631 -5.814 -14.227 357 HD13 LEU 50 HD13 LEU 50 -2.268 -6.796 -15.547 358 HD21 LEU 50 HD21 LEU 50 0.078 -6.546 -17.460 359 HD22 LEU 50 HD22 LEU 50 -0.772 -8.030 -17.023 360 HD23 LEU 50 HD23 LEU 50 0.977 -7.924 -16.821 361 H SER 51 H SER 51 3.742 -4.822 -13.678 362 HA SER 51 HA SER 51 4.653 -3.224 -15.856 363 HB2 SER 51 HB2 SER 51 5.682 -3.350 -13.012 364 HB3 SER 51 HB3 SER 51 5.991 -2.058 -14.174 365 HG SER 51 HG SER 51 3.550 -2.780 -12.936 366 H ARG 52 H ARG 52 6.014 -5.884 -14.016 367 HA ARG 52 HA ARG 52 8.633 -5.831 -15.120 368 HB2 ARG 52 HB2 ARG 52 8.146 -6.937 -13.006 369 HB3 ARG 52 HB3 ARG 52 7.030 -8.033 -13.797 370 HG2 ARG 52 HG2 ARG 52 9.047 -9.209 -13.307 371 HG3 ARG 52 HG3 ARG 52 8.937 -8.995 -15.052 372 HD2 ARG 52 HD2 ARG 52 10.507 -7.123 -14.923 373 HD3 ARG 52 HD3 ARG 52 10.602 -7.320 -13.173 374 HE ARG 52 HE ARG 52 11.258 -9.773 -14.267 375 HH11 ARG 52 HH11 ARG 52 12.579 -6.522 -14.480 376 HH12 ARG 52 HH12 ARG 52 14.219 -7.076 -14.635 377 HH21 ARG 52 HH21 ARG 52 13.401 -10.485 -14.490 378 HH22 ARG 52 HH22 ARG 52 14.682 -9.321 -14.649 379 H ASN 53 H ASN 53 5.642 -7.542 -15.994 380 HA ASN 53 HA ASN 53 6.903 -9.018 -18.120 381 HB2 ASN 53 HB2 ASN 53 4.058 -8.783 -17.172 382 HB3 ASN 53 HB3 ASN 53 4.472 -9.666 -18.638 383 HD21 ASN 53 HD21 ASN 53 3.321 -10.677 -16.172 384 HD22 ASN 53 HD22 ASN 53 4.426 -11.870 -15.576 385 H GLY 54 H GLY 54 5.626 -5.899 -17.905 386 HA2 GLY 54 HA2 GLY 54 5.952 -4.291 -19.599 387 HA3 GLY 54 HA3 GLY 54 6.048 -5.589 -20.775 388 H GLY 55 H GLY 55 3.380 -5.899 -18.716 389 HA2 GLY 55 HA2 GLY 55 1.590 -4.940 -20.826 390 HA3 GLY 55 HA3 GLY 55 1.135 -5.945 -19.455 391 H TYR 56 H TYR 56 0.458 -5.059 -17.652 392 HA TYR 56 HA TYR 56 -0.490 -3.633 -16.221 393 HB2 TYR 56 HB2 TYR 56 1.785 -2.911 -15.741 394 HB3 TYR 56 HB3 TYR 56 1.727 -1.752 -17.063 395 HD1 TYR 56 HD2 TYR 56 -0.678 -2.532 -14.307 396 HD2 TYR 56 HD1 TYR 56 1.774 0.390 -16.188 397 HE1 TYR 56 HE2 TYR 56 -1.577 -0.813 -12.807 398 HE2 TYR 56 HE1 TYR 56 0.875 2.115 -14.682 399 HH TYR 56 HH TYR 56 -1.182 2.476 -13.301 400 H LYS 57 H LYS 57 -2.372 -3.637 -17.405 401 HA LYS 57 HA LYS 57 -3.001 -0.973 -18.454 402 HB2 LYS 57 HB2 LYS 57 -3.928 -3.644 -19.499 403 HB3 LYS 57 HB3 LYS 57 -4.881 -2.191 -19.752 404 HG2 LYS 57 HG2 LYS 57 -3.665 -2.371 -21.712 405 HG3 LYS 57 HG3 LYS 57 -2.724 -1.211 -20.777 406 HD2 LYS 57 HD2 LYS 57 -1.347 -3.221 -20.008 407 HD3 LYS 57 HD3 LYS 57 -2.149 -4.112 -21.301 408 HE2 LYS 57 HE2 LYS 57 -0.597 -1.562 -21.721 409 HE3 LYS 57 HE3 LYS 57 0.084 -3.177 -21.916 410 HZ1 LYS 57 HZ1 LYS 57 -1.519 -3.625 -23.644 411 HZ2 LYS 57 HZ2 LYS 57 -0.645 -2.226 -24.023 412 HZ3 LYS 57 HZ3 LYS 57 -2.228 -2.102 -23.440 413 H MET 58 H MET 58 -4.664 0.011 -17.609 414 HA MET 58 HA MET 58 -6.013 -1.257 -15.361 415 HB2 MET 58 HB2 MET 58 -6.100 1.625 -16.318 416 HB3 MET 58 HB3 MET 58 -6.829 1.013 -14.840 417 HG2 MET 58 HG2 MET 58 -4.877 1.994 -14.083 418 HG3 MET 58 HG3 MET 58 -4.436 0.300 -14.208 419 HE1 MET 58 HE1 MET 58 -3.137 3.545 -17.228 420 HE2 MET 58 HE2 MET 58 -4.105 3.867 -15.787 421 HE3 MET 58 HE3 MET 58 -4.796 2.952 -17.128 422 H VAL 59 H VAL 59 -8.303 -1.394 -15.223 423 HA VAL 59 HA VAL 59 -9.527 -1.868 -17.786 424 HB VAL 59 HB VAL 59 -11.374 -2.861 -16.690 425 HG11 VAL 59 HG11 VAL 59 -10.377 -4.452 -15.099 426 HG12 VAL 59 HG12 VAL 59 -8.918 -3.459 -15.054 427 HG13 VAL 59 HG13 VAL 59 -9.409 -4.237 -16.560 428 HG21 VAL 59 HG21 VAL 59 -11.837 -2.731 -14.292 429 HG22 VAL 59 HG22 VAL 59 -11.910 -1.145 -15.059 430 HG23 VAL 59 HG23 VAL 59 -10.502 -1.594 -14.095 431 H GLU 60 H GLU 60 -9.415 0.699 -15.560 432 HA GLU 60 HA GLU 60 -11.148 2.276 -17.306 433 HB2 GLU 60 HB2 GLU 60 -11.874 1.547 -14.731 434 HB3 GLU 60 HB3 GLU 60 -11.158 3.132 -14.502 435 HG2 GLU 60 HG2 GLU 60 -13.377 2.524 -16.435 436 HG3 GLU 60 HG3 GLU 60 -13.613 3.157 -14.809 437 H TYR 61 H TYR 61 -10.225 4.182 -17.863 438 HA TYR 61 HA TYR 61 -7.500 4.627 -16.897 439 HB2 TYR 61 HB2 TYR 61 -8.971 5.504 -19.371 440 HB3 TYR 61 HB3 TYR 61 -7.433 6.221 -18.910 441 HD1 TYR 61 HD2 TYR 61 -9.070 3.041 -19.893 442 HD2 TYR 61 HD1 TYR 61 -5.389 5.096 -19.320 443 HE1 TYR 61 HE2 TYR 61 -7.878 1.204 -20.999 444 HE2 TYR 61 HE1 TYR 61 -4.187 3.258 -20.427 445 HH TYR 61 HH TYR 61 -4.487 0.873 -20.878 446 H GLY 62 H GLY 62 -10.241 5.552 -15.702 447 HA2 GLY 62 HA2 GLY 62 -10.031 8.403 -15.593 448 HA3 GLY 62 HA3 GLY 62 -11.025 7.390 -14.559 449 H GLY 63 H GLY 63 -8.928 5.757 -13.524 450 HA2 GLY 63 HA2 GLY 63 -6.807 6.034 -12.387 451 HA3 GLY 63 HA3 GLY 63 -7.241 7.714 -12.098 452 H ALA 64 H ALA 64 -6.503 5.458 -10.282 453 HA ALA 64 HA ALA 64 -8.967 5.212 -8.723 454 HB1 ALA 64 HB1 ALA 64 -7.867 3.346 -7.605 455 HB2 ALA 64 HB2 ALA 64 -6.402 3.640 -8.545 456 HB3 ALA 64 HB3 ALA 64 -7.882 3.126 -9.355 457 H GLN 65 H GLN 65 -8.008 4.717 -6.250 458 HA GLN 65 HA GLN 65 -7.017 7.388 -5.498 459 HB2 GLN 65 HB2 GLN 65 -8.952 5.533 -4.101 460 HB3 GLN 65 HB3 GLN 65 -8.287 6.973 -3.351 461 HG2 GLN 65 HG2 GLN 65 -10.360 7.672 -4.098 462 HG3 GLN 65 HG3 GLN 65 -9.265 8.238 -5.353 463 HE21 GLN 65 HE21 GLN 65 -10.129 4.863 -5.136 464 HE22 GLN 65 HE22 GLN 65 -11.176 4.853 -6.516 465 H ALA 66 H ALA 66 -5.629 4.758 -5.994 466 HA ALA 66 HA ALA 66 -3.926 4.893 -3.660 467 HB1 ALA 66 HB1 ALA 66 -5.528 3.158 -3.069 468 HB2 ALA 66 HB2 ALA 66 -3.919 2.476 -3.313 469 HB3 ALA 66 HB3 ALA 66 -5.157 2.292 -4.559 470 H GLU 67 H GLU 67 -4.215 2.402 -6.135 471 HA GLU 67 HA GLU 67 -2.528 1.359 -7.324 472 HB2 GLU 67 HB2 GLU 67 -2.891 4.035 -8.641 473 HB3 GLU 67 HB3 GLU 67 -2.050 2.686 -9.398 474 HG2 GLU 67 HG2 GLU 67 -4.151 1.332 -9.072 475 HG3 GLU 67 HG3 GLU 67 -4.939 2.828 -8.570 476 H TRP 68 H TRP 68 -0.923 1.255 -5.670 477 HA TRP 68 HA TRP 68 0.951 3.368 -5.328 478 HB2 TRP 68 HB2 TRP 68 1.036 0.556 -4.230 479 HB3 TRP 68 HB3 TRP 68 1.922 1.950 -3.621 480 HD1 TRP 68 HD1 TRP 68 -1.063 0.009 -2.899 481 HE1 TRP 68 HE1 TRP 68 -2.704 1.307 -1.396 482 HE3 TRP 68 HE3 TRP 68 0.976 4.668 -3.355 483 HZ2 TRP 68 HZ2 TRP 68 -3.065 3.976 -0.542 484 HZ3 TRP 68 HZ3 TRP 68 -0.079 6.529 -2.171 485 HH2 TRP 68 HH2 TRP 68 -2.055 6.196 -0.791 486 H HIS 69 H HIS 69 2.715 3.738 -6.451 487 HA HIS 69 HA HIS 69 4.439 1.559 -7.268 488 HB2 HIS 69 HB2 HIS 69 2.916 1.858 -9.209 489 HB3 HIS 69 HB3 HIS 69 3.403 3.538 -9.321 490 HD1 HIS 69 HD1 HIS 69 4.692 0.052 -9.934 491 HD2 HIS 69 HD2 HIS 69 5.772 3.997 -10.690 492 HE1 HIS 69 HE1 HIS 69 6.638 -0.068 -11.522 493 HE2 HIS 69 HE2 HIS 69 7.332 2.322 -11.899 494 H GLU 70 H GLU 70 4.315 4.992 -8.306 495 HA GLU 70 HA GLU 70 7.133 5.194 -7.529 496 HB2 GLU 70 HB2 GLU 70 6.251 5.749 -9.862 497 HB3 GLU 70 HB3 GLU 70 5.535 7.184 -9.141 498 HG2 GLU 70 HG2 GLU 70 7.594 7.789 -10.170 499 HG3 GLU 70 HG3 GLU 70 7.805 7.880 -8.421 500 H GLN 71 H GLN 71 4.023 6.705 -6.956 501 HA GLN 71 HA GLN 71 5.028 8.851 -5.338 502 HB2 GLN 71 HB2 GLN 71 2.212 7.756 -5.494 503 HB3 GLN 71 HB3 GLN 71 2.691 9.349 -4.919 504 HG2 GLN 71 HG2 GLN 71 3.248 10.080 -7.082 505 HG3 GLN 71 HG3 GLN 71 3.238 8.442 -7.729 506 HE21 GLN 71 HE21 GLN 71 1.334 11.186 -6.851 507 HE22 GLN 71 HE22 GLN 71 -0.156 10.619 -7.522 508 H ALA 72 H ALA 72 4.103 5.575 -4.863 509 HA ALA 72 HA ALA 72 3.770 5.589 -2.030 510 HB1 ALA 72 HB1 ALA 72 2.780 3.864 -3.445 511 HB2 ALA 72 HB2 ALA 72 3.840 3.168 -2.215 512 HB3 ALA 72 HB3 ALA 72 4.392 3.302 -3.885 513 H GLU 73 H GLU 73 6.527 5.475 -4.135 514 HA GLU 73 HA GLU 73 8.363 4.068 -2.544 515 HB2 GLU 73 HB2 GLU 73 8.593 4.528 -4.973 516 HB3 GLU 73 HB3 GLU 73 8.867 6.223 -4.616 517 HG2 GLU 73 HG2 GLU 73 10.688 4.258 -3.354 518 HG3 GLU 73 HG3 GLU 73 10.832 4.507 -5.090 519 H LYS 74 H LYS 74 7.528 7.505 -2.586 520 HA LYS 74 HA LYS 74 9.534 8.374 -0.755 521 HB2 LYS 74 HB2 LYS 74 6.847 9.566 -1.488 522 HB3 LYS 74 HB3 LYS 74 8.054 10.382 -0.505 523 HG2 LYS 74 HG2 LYS 74 8.582 9.448 -3.314 524 HG3 LYS 74 HG3 LYS 74 7.967 11.056 -2.926 525 HD2 LYS 74 HD2 LYS 74 9.956 11.464 -1.541 526 HD3 LYS 74 HD3 LYS 74 10.560 9.857 -1.959 527 HE2 LYS 74 HE2 LYS 74 9.910 11.910 -4.057 528 HE3 LYS 74 HE3 LYS 74 11.489 11.837 -3.277 529 HZ1 LYS 74 HZ1 LYS 74 11.833 9.659 -4.107 530 HZ2 LYS 74 HZ2 LYS 74 11.317 10.605 -5.415 531 HZ3 LYS 74 HZ3 LYS 74 10.242 9.535 -4.666 532 H VAL 75 H VAL 75 6.303 7.142 -0.448 533 HA VAL 75 HA VAL 75 5.920 7.768 2.305 534 HB VAL 75 HB VAL 75 4.367 5.829 0.581 535 HG11 VAL 75 HG11 VAL 75 3.920 5.583 2.950 536 HG12 VAL 75 HG12 VAL 75 2.534 6.299 2.124 537 HG13 VAL 75 HG13 VAL 75 3.608 7.315 3.087 538 HG21 VAL 75 HG21 VAL 75 4.434 8.018 -0.484 539 HG22 VAL 75 HG22 VAL 75 3.917 8.781 1.021 540 HG23 VAL 75 HG23 VAL 75 2.827 7.690 0.165 541 H GLU 76 H GLU 76 7.094 4.933 0.549 542 HA GLU 76 HA GLU 76 6.683 3.048 2.610 543 HB2 GLU 76 HB2 GLU 76 7.855 1.489 1.293 544 HB3 GLU 76 HB3 GLU 76 7.003 2.524 0.164 545 HG2 GLU 76 HG2 GLU 76 9.095 3.724 -0.282 546 HG3 GLU 76 HG3 GLU 76 9.934 2.655 0.839 547 H ALA 77 H ALA 77 9.428 5.108 1.828 548 HA ALA 77 HA ALA 77 11.273 4.150 3.703 549 HB1 ALA 77 HB1 ALA 77 11.819 5.694 1.897 550 HB2 ALA 77 HB2 ALA 77 12.352 6.312 3.462 551 HB3 ALA 77 HB3 ALA 77 10.897 6.963 2.701 552 H TYR 78 H TYR 78 8.675 6.500 4.008 553 HA TYR 78 HA TYR 78 9.175 7.336 6.659 554 HB2 TYR 78 HB2 TYR 78 7.813 8.621 5.083 555 HB3 TYR 78 HB3 TYR 78 6.624 7.325 5.029 556 HD1 TYR 78 HD2 TYR 78 8.026 10.025 7.127 557 HD2 TYR 78 HD1 TYR 78 4.971 7.104 6.723 558 HE1 TYR 78 HE2 TYR 78 6.768 11.081 8.965 559 HE2 TYR 78 HE1 TYR 78 3.719 8.143 8.548 560 HH TYR 78 HH TYR 78 4.053 9.547 10.432 561 H LEU 79 H LEU 79 7.272 4.650 5.327 562 HA LEU 79 HA LEU 79 5.953 3.992 7.757 563 HB2 LEU 79 HB2 LEU 79 5.246 3.334 5.418 564 HB3 LEU 79 HB3 LEU 79 6.531 2.152 5.426 565 HG LEU 79 HG LEU 79 4.100 1.395 5.895 566 HD11 LEU 79 HD11 LEU 79 6.322 0.500 7.722 567 HD12 LEU 79 HD12 LEU 79 5.971 -0.117 6.104 568 HD13 LEU 79 HD13 LEU 79 4.821 -0.378 7.414 569 HD21 LEU 79 HD21 LEU 79 4.826 2.482 8.614 570 HD22 LEU 79 HD22 LEU 79 3.464 1.410 8.274 571 HD23 LEU 79 HD23 LEU 79 3.513 3.025 7.568 572 H VAL 80 H VAL 80 8.890 2.738 6.198 573 HA VAL 80 HA VAL 80 9.382 0.740 8.146 574 HB VAL 80 HB VAL 80 11.381 2.002 6.243 575 HG11 VAL 80 HG11 VAL 80 12.484 0.750 8.020 576 HG12 VAL 80 HG12 VAL 80 12.631 -0.093 6.477 577 HG13 VAL 80 HG13 VAL 80 11.467 -0.651 7.680 578 HG21 VAL 80 HG21 VAL 80 9.649 -0.447 5.907 579 HG22 VAL 80 HG22 VAL 80 10.907 0.083 4.790 580 HG23 VAL 80 HG23 VAL 80 9.476 1.081 5.043 581 H GLU 81 H GLU 81 10.357 4.155 7.959 582 HA GLU 81 HA GLU 81 12.204 3.925 10.143 583 HB2 GLU 81 HB2 GLU 81 12.462 6.288 10.047 584 HB3 GLU 81 HB3 GLU 81 12.343 5.712 8.391 585 HG2 GLU 81 HG2 GLU 81 10.088 6.491 8.219 586 HG3 GLU 81 HG3 GLU 81 10.048 6.893 9.933 587 H LYS 82 H LYS 82 8.768 4.505 9.902 588 HA LYS 82 HA LYS 82 8.515 5.510 12.589 589 HB2 LYS 82 HB2 LYS 82 6.525 4.699 10.479 590 HB3 LYS 82 HB3 LYS 82 6.011 5.105 12.107 591 HG2 LYS 82 HG2 LYS 82 7.438 6.888 10.148 592 HG3 LYS 82 HG3 LYS 82 5.771 7.032 10.706 593 HD2 LYS 82 HD2 LYS 82 6.460 7.637 12.885 594 HD3 LYS 82 HD3 LYS 82 8.133 7.182 12.555 595 HE2 LYS 82 HE2 LYS 82 8.250 8.989 10.878 596 HE3 LYS 82 HE3 LYS 82 6.611 9.468 11.318 597 HZ1 LYS 82 HZ1 LYS 82 7.323 10.060 13.478 598 HZ2 LYS 82 HZ2 LYS 82 8.428 10.762 12.399 599 HZ3 LYS 82 HZ3 LYS 82 8.851 9.361 13.254 600 H GLN 83 H GLN 83 8.305 2.449 10.976 601 HA GLN 83 HA GLN 83 8.030 0.297 11.606 602 HB2 GLN 83 HB2 GLN 83 8.514 1.403 14.378 603 HB3 GLN 83 HB3 GLN 83 8.261 -0.306 14.058 604 HG2 GLN 83 HG2 GLN 83 10.445 1.313 12.784 605 HG3 GLN 83 HG3 GLN 83 10.640 0.411 14.286 606 HE21 GLN 83 HE21 GLN 83 10.162 0.199 10.865 607 HE22 GLN 83 HE22 GLN 83 10.594 -1.472 10.713 608 H ASP 84 H ASP 84 5.775 2.393 11.675 609 HA ASP 84 HA ASP 84 3.830 0.824 13.175 610 HB2 ASP 84 HB2 ASP 84 4.816 2.689 14.604 611 HB3 ASP 84 HB3 ASP 84 4.032 3.818 13.503 612 HA PRO 85 HA PRO 85 1.780 1.598 9.257 613 HB2 PRO 85 HB2 PRO 85 -0.376 0.060 9.781 614 HB3 PRO 85 HB3 PRO 85 1.208 -0.607 9.373 615 HG2 PRO 85 HG2 PRO 85 -0.021 -0.205 12.083 616 HG3 PRO 85 HG3 PRO 85 0.746 -1.662 11.413 617 HD2 PRO 85 HD2 PRO 85 2.108 -0.037 13.019 618 HD3 PRO 85 HD3 PRO 85 2.883 -0.777 11.602 619 H THR 86 H THR 86 0.870 3.031 12.164 620 HA THR 86 HA THR 86 -1.430 4.272 10.821 621 HB THR 86 HB THR 86 -2.226 2.589 12.477 622 HG1 THR 86 HG1 THR 86 -3.890 3.841 12.659 623 HG21 THR 86 HG21 THR 86 -1.084 4.473 14.535 624 HG22 THR 86 HG22 THR 86 -0.516 2.838 14.202 625 HG23 THR 86 HG23 THR 86 -2.131 3.089 14.862 626 H ASP 87 H ASP 87 1.569 4.850 11.992 627 HA ASP 87 HA ASP 87 1.007 7.349 13.357 628 HB2 ASP 87 HB2 ASP 87 2.951 5.822 13.957 629 HB3 ASP 87 HB3 ASP 87 3.715 6.349 12.460 630 H ILE 88 H ILE 88 0.091 8.768 11.979 631 HA ILE 88 HA ILE 88 1.649 10.058 9.974 632 HB ILE 88 HB ILE 88 1.014 8.009 8.732 633 HG12 ILE 88 HG12 ILE 88 -0.017 9.075 6.739 634 HG13 ILE 88 HG13 ILE 88 -0.375 10.496 7.708 635 HG21 ILE 88 HG21 ILE 88 -1.319 7.582 8.113 636 HG22 ILE 88 HG22 ILE 88 -1.833 8.900 9.169 637 HG23 ILE 88 HG23 ILE 88 -1.060 7.470 9.855 638 HD11 ILE 88 HD11 ILE 88 2.372 9.447 7.079 639 HD12 ILE 88 HD12 ILE 88 2.003 10.892 8.021 640 HD13 ILE 88 HD13 ILE 88 1.582 10.824 6.310 641 H LYS 89 H LYS 89 0.637 12.001 9.246 642 HA LYS 89 HA LYS 89 -2.025 12.612 10.323 643 HB2 LYS 89 HB2 LYS 89 -0.200 13.544 11.781 644 HB3 LYS 89 HB3 LYS 89 0.318 14.519 10.413 645 HG2 LYS 89 HG2 LYS 89 -1.719 15.746 10.419 646 HG3 LYS 89 HG3 LYS 89 -2.437 14.646 11.598 647 HD2 LYS 89 HD2 LYS 89 -0.731 15.342 13.236 648 HD3 LYS 89 HD3 LYS 89 -0.107 16.501 12.061 649 HE2 LYS 89 HE2 LYS 89 -1.592 17.592 13.654 650 HE3 LYS 89 HE3 LYS 89 -2.270 17.634 12.028 651 HZ1 LYS 89 HZ1 LYS 89 -3.027 15.629 14.080 652 HZ2 LYS 89 HZ2 LYS 89 -3.774 15.886 12.581 653 HZ3 LYS 89 HZ3 LYS 89 -3.888 17.060 13.799 654 H TYR 90 H TYR 90 -3.353 13.548 8.868 655 HA TYR 90 HA TYR 90 -2.153 14.542 6.354 656 HB2 TYR 90 HB2 TYR 90 -5.014 13.571 6.591 657 HB3 TYR 90 HB3 TYR 90 -4.085 13.877 5.136 658 HD1 TYR 90 HD2 TYR 90 -1.960 12.388 4.808 659 HD2 TYR 90 HD1 TYR 90 -5.232 11.401 7.334 660 HE1 TYR 90 HE2 TYR 90 -1.311 10.020 4.713 661 HE2 TYR 90 HE1 TYR 90 -4.593 9.031 7.250 662 HH TYR 90 HH TYR 90 -3.337 7.522 5.840 663 H LYS 91 H LYS 91 -2.962 16.412 5.433 664 HA LYS 91 HA LYS 91 -5.083 17.830 6.870 665 HB2 LYS 91 HB2 LYS 91 -3.597 19.939 5.952 666 HB3 LYS 91 HB3 LYS 91 -3.559 19.341 7.597 667 HG2 LYS 91 HG2 LYS 91 -1.309 19.647 6.957 668 HG3 LYS 91 HG3 LYS 91 -1.584 17.910 6.911 669 HD2 LYS 91 HD2 LYS 91 -0.282 18.506 4.993 670 HD3 LYS 91 HD3 LYS 91 -1.904 18.103 4.434 671 HE2 LYS 91 HE2 LYS 91 -1.091 20.079 3.282 672 HE3 LYS 91 HE3 LYS 91 -2.446 20.503 4.324 673 HZ1 LYS 91 HZ1 LYS 91 0.412 20.907 5.010 674 HZ2 LYS 91 HZ2 LYS 91 -0.920 21.371 5.947 675 HZ3 LYS 91 HZ3 LYS 91 -0.637 22.109 4.449 676 H ASP 92 H ASP 92 -6.596 17.143 5.268 677 HA ASP 92 HA ASP 92 -6.550 18.297 2.712 678 HB2 ASP 92 HB2 ASP 92 -4.674 16.698 2.445 679 HB3 ASP 92 HB3 ASP 92 -5.754 15.382 2.861 680 H ASN 93 H ASN 93 -8.306 17.340 1.351 681 HA ASN 93 HA ASN 93 -10.718 16.705 2.595 682 HB2 ASN 93 HB2 ASN 93 -10.497 17.559 0.284 683 HB3 ASN 93 HB3 ASN 93 -9.769 16.037 -0.203 684 HD21 ASN 93 HD21 ASN 93 -11.269 15.447 -1.684 685 HD22 ASN 93 HD22 ASN 93 -12.912 15.072 -1.288 686 H ASP 94 H ASP 94 -8.065 14.561 1.545 687 HA ASP 94 HA ASP 94 -9.737 12.272 2.305 688 HB2 ASP 94 HB2 ASP 94 -9.290 12.696 -0.285 689 HB3 ASP 94 HB3 ASP 94 -7.756 11.941 0.099 690 H GLY 95 H GLY 95 -6.384 13.425 1.718 691 HA2 GLY 95 HA2 GLY 95 -5.238 12.290 3.918 692 HA3 GLY 95 HA3 GLY 95 -5.303 10.976 2.762 693 H HIS 96 H HIS 96 -4.573 14.410 2.082 694 HA HIS 96 HA HIS 96 -1.956 13.567 1.101 695 HB2 HIS 96 HB2 HIS 96 -3.453 16.170 0.937 696 HB3 HIS 96 HB3 HIS 96 -1.723 16.106 0.616 697 HD1 HIS 96 HD1 HIS 96 -4.655 16.273 -1.204 698 HD2 HIS 96 HD2 HIS 96 -1.385 13.721 -1.394 699 HE1 HIS 96 HE1 HIS 96 -4.671 15.333 -3.535 700 HE2 HIS 96 HE2 HIS 96 -2.557 13.992 -3.688 701 H THR 97 H THR 97 -0.068 14.134 1.984 702 HA THR 97 HA THR 97 -0.206 15.334 4.650 703 HB THR 97 HB THR 97 0.028 12.993 5.043 704 HG1 THR 97 HG1 THR 97 1.357 13.750 6.498 705 HG21 THR 97 HG21 THR 97 0.799 12.269 2.839 706 HG22 THR 97 HG22 THR 97 1.802 11.597 4.127 707 HG23 THR 97 HG23 THR 97 2.391 12.959 3.165 708 H ASP 98 H ASP 98 1.425 16.677 5.230 709 HA ASP 98 HA ASP 98 3.091 17.640 3.015 710 HB2 ASP 98 HB2 ASP 98 1.528 19.191 4.303 711 HB3 ASP 98 HB3 ASP 98 2.612 18.996 5.675 712 H ALA 99 H ALA 99 3.214 15.798 5.827 713 HA ALA 99 HA ALA 99 5.897 16.257 6.654 714 HB1 ALA 99 HB1 ALA 99 4.251 15.204 8.124 715 HB2 ALA 99 HB2 ALA 99 5.650 14.155 7.886 716 HB3 ALA 99 HB3 ALA 99 4.144 13.827 7.027 717 H ILE 100 H ILE 100 4.367 13.673 4.713 718 HA ILE 100 HA ILE 100 6.919 12.962 3.534 719 HB ILE 100 HB ILE 100 4.187 11.994 2.646 720 HG12 ILE 100 HG12 ILE 100 6.026 10.594 4.597 721 HG13 ILE 100 HG13 ILE 100 4.683 11.606 5.116 722 HG21 ILE 100 HG21 ILE 100 6.947 10.789 2.352 723 HG22 ILE 100 HG22 ILE 100 6.029 11.589 1.075 724 HG23 ILE 100 HG23 ILE 100 5.442 10.076 1.770 725 HD11 ILE 100 HD11 ILE 100 3.117 10.131 3.999 726 HD12 ILE 100 HD12 ILE 100 4.117 9.233 5.141 727 HD13 ILE 100 HD13 ILE 100 4.450 9.137 3.411 728 H SER 101 H SER 101 7.492 14.935 2.613 729 HA SER 101 HA SER 101 5.807 16.218 0.677 730 HB2 SER 101 HB2 SER 101 7.476 17.395 2.193 731 HB3 SER 101 HB3 SER 101 8.745 16.731 1.169 732 HG SER 101 HG SER 101 7.156 17.809 -0.536 733 H GLY 102 H GLY 102 5.417 15.227 -1.122 734 HA2 GLY 102 HA2 GLY 102 6.704 14.790 -3.336 735 HA3 GLY 102 HA3 GLY 102 7.461 13.524 -2.373 736 H ALA 103 H ALA 103 4.688 13.463 -0.945 737 HA ALA 103 HA ALA 103 3.542 11.429 -2.655 738 HB1 ALA 103 HB1 ALA 103 2.067 10.986 -0.774 739 HB2 ALA 103 HB2 ALA 103 2.664 12.426 0.053 740 HB3 ALA 103 HB3 ALA 103 3.745 11.062 -0.241 741 H THR 104 H THR 104 2.599 12.400 -4.379 742 HA THR 104 HA THR 104 0.757 14.614 -3.998 743 HB THR 104 HB THR 104 0.571 14.371 -6.565 744 HG1 THR 104 HG1 THR 104 2.096 13.125 -7.530 745 HG21 THR 104 HG21 THR 104 3.189 15.111 -5.258 746 HG22 THR 104 HG22 THR 104 1.795 16.172 -5.472 747 HG23 THR 104 HG23 THR 104 2.685 15.587 -6.879 748 H ILE 105 H ILE 105 0.568 11.274 -4.033 749 HA ILE 105 HA ILE 105 -2.291 11.297 -4.664 750 HB ILE 105 HB ILE 105 -0.638 9.608 -5.646 751 HG12 ILE 105 HG12 ILE 105 -3.221 9.346 -5.465 752 HG13 ILE 105 HG13 ILE 105 -2.241 7.975 -5.951 753 HG21 ILE 105 HG21 ILE 105 -0.120 7.608 -4.300 754 HG22 ILE 105 HG22 ILE 105 -0.717 8.459 -2.875 755 HG23 ILE 105 HG23 ILE 105 0.684 9.080 -3.748 756 HD11 ILE 105 HD11 ILE 105 -2.451 7.024 -3.724 757 HD12 ILE 105 HD12 ILE 105 -4.037 7.351 -4.426 758 HD13 ILE 105 HD13 ILE 105 -3.375 8.433 -3.198 759 H LYS 106 H LYS 106 -3.815 10.509 -3.065 760 HA LYS 106 HA LYS 106 -3.245 11.251 -0.408 761 HB2 LYS 106 HB2 LYS 106 -5.505 10.172 0.105 762 HB3 LYS 106 HB3 LYS 106 -5.474 11.564 -0.962 763 HG2 LYS 106 HG2 LYS 106 -5.505 8.799 -2.110 764 HG3 LYS 106 HG3 LYS 106 -6.990 9.528 -1.498 765 HD2 LYS 106 HD2 LYS 106 -6.228 11.556 -2.990 766 HD3 LYS 106 HD3 LYS 106 -5.309 10.311 -3.837 767 HE2 LYS 106 HE2 LYS 106 -7.409 10.566 -4.938 768 HE3 LYS 106 HE3 LYS 106 -7.432 9.025 -4.079 769 HZ1 LYS 106 HZ1 LYS 106 -8.669 11.561 -3.156 770 HZ2 LYS 106 HZ2 LYS 106 -8.657 10.112 -2.277 771 HZ3 LYS 106 HZ3 LYS 106 -9.498 10.209 -3.747 772 H VAL 107 H VAL 107 -2.262 10.297 1.041 773 HA VAL 107 HA VAL 107 -1.258 7.609 0.796 774 HB VAL 107 HB VAL 107 -0.757 9.779 2.865 775 HG11 VAL 107 HG11 VAL 107 0.883 7.332 2.261 776 HG12 VAL 107 HG12 VAL 107 -0.084 7.595 3.713 777 HG13 VAL 107 HG13 VAL 107 1.313 8.622 3.385 778 HG21 VAL 107 HG21 VAL 107 -0.138 10.474 0.631 779 HG22 VAL 107 HG22 VAL 107 0.817 9.002 0.431 780 HG23 VAL 107 HG23 VAL 107 1.293 10.206 1.627 781 H LYS 108 H LYS 108 -4.043 8.908 2.105 782 HA LYS 108 HA LYS 108 -4.322 7.733 4.604 783 HB2 LYS 108 HB2 LYS 108 -6.770 7.937 4.281 784 HB3 LYS 108 HB3 LYS 108 -5.882 9.406 3.936 785 HG2 LYS 108 HG2 LYS 108 -7.374 9.418 2.215 786 HG3 LYS 108 HG3 LYS 108 -6.045 8.549 1.454 787 HD2 LYS 108 HD2 LYS 108 -8.204 7.487 0.981 788 HD3 LYS 108 HD3 LYS 108 -7.150 6.420 1.907 789 HE2 LYS 108 HE2 LYS 108 -9.289 6.200 2.873 790 HE3 LYS 108 HE3 LYS 108 -8.379 7.234 3.974 791 HZ1 LYS 108 HZ1 LYS 108 -10.459 8.238 3.740 792 HZ2 LYS 108 HZ2 LYS 108 -10.495 8.010 2.064 793 HZ3 LYS 108 HZ3 LYS 108 -9.444 9.149 2.737 794 H LYS 109 H LYS 109 -4.735 6.340 1.444 795 HA LYS 109 HA LYS 109 -6.100 4.005 2.287 796 HB2 LYS 109 HB2 LYS 109 -6.207 5.048 0.022 797 HB3 LYS 109 HB3 LYS 109 -4.551 4.518 -0.248 798 HG2 LYS 109 HG2 LYS 109 -5.975 2.964 -1.299 799 HG3 LYS 109 HG3 LYS 109 -5.315 2.188 0.142 800 HD2 LYS 109 HD2 LYS 109 -7.435 1.647 0.601 801 HD3 LYS 109 HD3 LYS 109 -7.619 3.334 1.091 802 HE2 LYS 109 HE2 LYS 109 -9.367 2.561 -0.492 803 HE3 LYS 109 HE3 LYS 109 -8.427 3.929 -1.090 804 HZ1 LYS 109 HZ1 LYS 109 -8.828 2.083 -2.725 805 HZ2 LYS 109 HZ2 LYS 109 -7.785 1.120 -1.788 806 HZ3 LYS 109 HZ3 LYS 109 -7.210 2.532 -2.517 807 H PHE 110 H PHE 110 -2.728 4.841 1.709 808 HA PHE 110 HA PHE 110 -1.627 2.256 1.777 809 HB2 PHE 110 HB2 PHE 110 -0.337 4.104 0.896 810 HB3 PHE 110 HB3 PHE 110 -0.415 4.956 2.431 811 HD1 PHE 110 HD1 PHE 110 1.001 1.959 0.766 812 HD2 PHE 110 HD2 PHE 110 1.192 4.621 4.074 813 HE1 PHE 110 HE1 PHE 110 3.111 0.908 1.489 814 HE2 PHE 110 HE2 PHE 110 3.296 3.579 4.804 815 HZ PHE 110 HZ PHE 110 4.249 1.716 3.524 816 H PHE 111 H PHE 111 -2.080 4.668 4.349 817 HA PHE 111 HA PHE 111 -0.982 2.912 6.327 818 HB2 PHE 111 HB2 PHE 111 -2.218 5.631 6.436 819 HB3 PHE 111 HB3 PHE 111 -1.935 4.724 7.922 820 HD1 PHE 111 HD1 PHE 111 0.346 4.124 8.588 821 HD2 PHE 111 HD2 PHE 111 -0.389 6.574 5.197 822 HE1 PHE 111 HE1 PHE 111 2.695 4.837 8.599 823 HE2 PHE 111 HE2 PHE 111 1.963 7.292 5.201 824 HZ PHE 111 HZ PHE 111 3.505 6.416 6.905 825 H ASP 112 H ASP 112 -4.235 3.574 5.183 826 HA ASP 112 HA ASP 112 -5.608 2.336 7.340 827 HB2 ASP 112 HB2 ASP 112 -6.308 3.130 4.573 828 HB3 ASP 112 HB3 ASP 112 -7.280 1.839 5.272 829 H LEU 113 H LEU 113 -4.331 1.122 4.285 830 HA LEU 113 HA LEU 113 -5.295 -1.547 4.678 831 HB2 LEU 113 HB2 LEU 113 -3.670 -0.126 2.645 832 HB3 LEU 113 HB3 LEU 113 -3.445 -1.858 2.762 833 HG LEU 113 HG LEU 113 -5.042 -1.242 0.998 834 HD11 LEU 113 HD11 LEU 113 -6.788 -2.789 1.644 835 HD12 LEU 113 HD12 LEU 113 -6.254 -2.696 3.322 836 HD13 LEU 113 HD13 LEU 113 -5.191 -3.386 2.094 837 HD21 LEU 113 HD21 LEU 113 -6.033 0.754 1.997 838 HD22 LEU 113 HD22 LEU 113 -6.778 -0.239 3.251 839 HD23 LEU 113 HD23 LEU 113 -7.268 -0.430 1.568 840 H ALA 114 H ALA 114 -2.272 0.129 5.343 841 HA ALA 114 HA ALA 114 -0.740 -2.127 6.063 842 HB1 ALA 114 HB1 ALA 114 0.697 -0.559 7.230 843 HB2 ALA 114 HB2 ALA 114 -0.552 0.682 7.129 844 HB3 ALA 114 HB3 ALA 114 0.220 0.084 5.658 845 H GLN 115 H GLN 115 -3.050 -0.171 7.868 846 HA GLN 115 HA GLN 115 -2.657 -1.368 10.420 847 HB2 GLN 115 HB2 GLN 115 -4.949 0.148 9.195 848 HB3 GLN 115 HB3 GLN 115 -5.033 -0.490 10.830 849 HG2 GLN 115 HG2 GLN 115 -3.167 0.856 11.503 850 HG3 GLN 115 HG3 GLN 115 -2.924 1.411 9.849 851 HE21 GLN 115 HE21 GLN 115 -4.259 2.969 9.005 852 HE22 GLN 115 HE22 GLN 115 -5.359 3.887 9.976 853 H LYS 116 H LYS 116 -4.627 -2.171 7.644 854 HA LYS 116 HA LYS 116 -6.191 -4.205 8.895 855 HB2 LYS 116 HB2 LYS 116 -5.651 -3.497 6.015 856 HB3 LYS 116 HB3 LYS 116 -6.734 -4.793 6.494 857 HG2 LYS 116 HG2 LYS 116 -8.269 -3.308 7.453 858 HG3 LYS 116 HG3 LYS 116 -7.106 -1.981 7.472 859 HD2 LYS 116 HD2 LYS 116 -8.731 -1.626 5.715 860 HD3 LYS 116 HD3 LYS 116 -7.149 -1.937 5.006 861 HE2 LYS 116 HE2 LYS 116 -8.796 -3.123 3.736 862 HE3 LYS 116 HE3 LYS 116 -7.853 -4.301 4.642 863 HZ1 LYS 116 HZ1 LYS 116 -9.615 -4.542 6.205 864 HZ2 LYS 116 HZ2 LYS 116 -10.279 -4.705 4.653 865 HZ3 LYS 116 HZ3 LYS 116 -10.489 -3.263 5.519 866 H ALA 117 H ALA 117 -3.061 -4.108 7.360 867 HA ALA 117 HA ALA 117 -2.839 -6.886 6.766 868 HB1 ALA 117 HB1 ALA 117 -0.499 -6.414 6.336 869 HB2 ALA 117 HB2 ALA 117 -0.662 -4.834 7.104 870 HB3 ALA 117 HB3 ALA 117 -1.525 -5.181 5.604 871 H LEU 118 H LEU 118 -2.028 -4.924 9.545 872 HA LEU 118 HA LEU 118 -0.669 -7.230 10.776 873 HB2 LEU 118 HB2 LEU 118 -0.400 -4.290 11.362 874 HB3 LEU 118 HB3 LEU 118 0.560 -5.581 12.067 875 HG LEU 118 HG LEU 118 0.514 -5.256 9.102 876 HD11 LEU 118 HD11 LEU 118 0.892 -3.045 9.983 877 HD12 LEU 118 HD12 LEU 118 2.354 -3.704 9.241 878 HD13 LEU 118 HD13 LEU 118 2.197 -3.660 10.999 879 HD21 LEU 118 HD21 LEU 118 2.772 -6.136 9.318 880 HD22 LEU 118 HD22 LEU 118 1.596 -7.200 10.095 881 HD23 LEU 118 HD23 LEU 118 2.609 -6.138 11.075 882 H LYS 119 H LYS 119 -3.607 -6.113 10.802 883 HA LYS 119 HA LYS 119 -4.238 -5.271 13.399 884 HB2 LYS 119 HB2 LYS 119 -6.571 -5.771 12.824 885 HB3 LYS 119 HB3 LYS 119 -5.734 -4.935 11.523 886 HG2 LYS 119 HG2 LYS 119 -5.473 -7.051 10.322 887 HG3 LYS 119 HG3 LYS 119 -6.307 -7.891 11.629 888 HD2 LYS 119 HD2 LYS 119 -7.560 -5.637 10.083 889 HD3 LYS 119 HD3 LYS 119 -7.669 -7.321 9.579 890 HE2 LYS 119 HE2 LYS 119 -8.553 -6.349 12.291 891 HE3 LYS 119 HE3 LYS 119 -9.632 -6.441 10.901 892 HZ1 LYS 119 HZ1 LYS 119 -8.179 -8.716 12.151 893 HZ2 LYS 119 HZ2 LYS 119 -9.153 -8.827 10.774 894 HZ3 LYS 119 HZ3 LYS 119 -9.840 -8.405 12.260 895 H ASP 120 H ASP 120 -4.031 -8.541 12.113 896 HA ASP 120 HA ASP 120 -4.859 -9.620 14.724 897 HB2 ASP 120 HB2 ASP 120 -4.554 -11.065 12.077 898 HB3 ASP 120 HB3 ASP 120 -5.182 -11.753 13.566 899 H ALA 121 H ALA 121 -2.160 -9.006 12.811 900 HA ALA 121 HA ALA 121 -0.134 -9.871 12.388 901 HB1 ALA 121 HB1 ALA 121 1.213 -10.602 14.266 902 HB2 ALA 121 HB2 ALA 121 -0.236 -10.790 15.260 903 HB3 ALA 121 HB3 ALA 121 0.249 -9.189 14.694 904 H GLU 122 H GLU 122 -2.224 -11.431 11.532 905 HA GLU 122 HA GLU 122 -1.175 -14.177 11.699 906 HB2 GLU 122 HB2 GLU 122 -4.043 -13.238 11.702 907 HB3 GLU 122 HB3 GLU 122 -3.593 -14.893 11.333 908 HG2 GLU 122 HG2 GLU 122 -2.918 -13.506 13.911 909 HG3 GLU 122 HG3 GLU 122 -4.352 -14.499 13.667 910 H LYS 123 H LYS 123 -1.695 -11.596 9.701 911 HA LYS 123 HA LYS 123 -2.769 -12.920 7.402 912 HB2 LYS 123 HB2 LYS 123 -1.654 -10.202 7.922 913 HB3 LYS 123 HB3 LYS 123 -1.748 -10.762 6.261 914 HG2 LYS 123 HG2 LYS 123 -3.713 -9.579 6.540 915 HG3 LYS 123 HG3 LYS 123 -4.217 -11.248 6.777 916 HD2 LYS 123 HD2 LYS 123 -4.126 -10.908 9.217 917 HD3 LYS 123 HD3 LYS 123 -3.667 -9.222 8.955 918 HE2 LYS 123 HE2 LYS 123 -5.998 -9.254 9.375 919 HE3 LYS 123 HE3 LYS 123 -5.782 -8.939 7.655 920 HZ1 LYS 123 HZ1 LYS 123 -6.221 -11.308 7.241 921 HZ2 LYS 123 HZ2 LYS 123 -7.530 -10.523 7.981 922 HZ3 LYS 123 HZ3 LYS 123 -6.523 -11.529 8.895 923 H LEU 124 H LEU 124 -1.766 -13.934 5.782 924 HA LEU 124 HA LEU 124 1.139 -13.791 5.685 925 HB2 LEU 124 HB2 LEU 124 1.376 -16.134 5.284 926 HB3 LEU 124 HB3 LEU 124 0.510 -15.885 6.765 927 HG LEU 124 HG LEU 124 -0.396 -17.820 5.813 928 HD11 LEU 124 HD11 LEU 124 -2.326 -15.650 5.087 929 HD12 LEU 124 HD12 LEU 124 -2.155 -16.434 6.656 930 HD13 LEU 124 HD13 LEU 124 -2.714 -17.362 5.263 931 HD21 LEU 124 HD21 LEU 124 -1.216 -18.040 3.522 932 HD22 LEU 124 HD22 LEU 124 0.511 -17.690 3.602 933 HD23 LEU 124 HD23 LEU 124 -0.627 -16.414 3.171 934 H GLU 125 H GLU 125 2.153 -14.032 3.741 935 HA GLU 125 HA GLU 125 0.713 -14.143 1.249 936 HB2 GLU 125 HB2 GLU 125 0.351 -11.802 1.986 937 HB3 GLU 125 HB3 GLU 125 2.079 -11.589 2.159 938 HG2 GLU 125 HG2 GLU 125 1.136 -10.540 0.140 939 HG3 GLU 125 HG3 GLU 125 2.408 -11.710 -0.193 940 H HIS 126 H HIS 126 2.125 -14.597 -0.449 941 HA HIS 126 HA HIS 126 4.817 -15.403 0.333 942 HB2 HIS 126 HB2 HIS 126 3.366 -16.946 -0.978 943 HB3 HIS 126 HB3 HIS 126 3.352 -15.786 -2.298 944 HD1 HIS 126 HD1 HIS 126 5.183 -15.991 -3.994 945 HD2 HIS 126 HD2 HIS 126 6.022 -18.091 -0.504 946 HE1 HIS 126 HE1 HIS 126 7.302 -17.264 -4.464 947 HE2 HIS 126 HE2 HIS 126 7.759 -18.578 -2.365 948 H HIS 127 H HIS 127 3.225 -12.837 -1.286 949 HA HIS 127 HA HIS 127 5.362 -12.075 -3.030 950 HB2 HIS 127 HB2 HIS 127 2.858 -11.586 -3.326 951 HB3 HIS 127 HB3 HIS 127 3.088 -10.293 -2.153 952 HD1 HIS 127 HD1 HIS 127 3.935 -8.114 -3.029 953 HD2 HIS 127 HD2 HIS 127 4.459 -11.231 -5.731 954 HE1 HIS 127 HE1 HIS 127 4.802 -7.056 -5.123 955 HE2 HIS 127 HE2 HIS 127 4.961 -8.918 -6.796 956 H HIS 128 H HIS 128 7.204 -11.417 -2.237 957 HA HIS 128 HA HIS 128 7.257 -9.673 0.129 958 HB2 HIS 128 HB2 HIS 128 9.629 -10.485 0.409 959 HB3 HIS 128 HB3 HIS 128 8.395 -11.719 0.618 960 HD1 HIS 128 HD1 HIS 128 8.303 -13.611 -1.174 961 HD2 HIS 128 HD2 HIS 128 11.390 -10.878 -1.722 962 HE1 HIS 128 HE1 HIS 128 9.847 -14.661 -2.858 963 HE2 HIS 128 HE2 HIS 128 11.774 -13.050 -3.074 964 H HIS 129 H HIS 129 9.204 -8.147 0.175 965 HA HIS 129 HA HIS 129 9.596 -6.987 -2.513 966 HB2 HIS 129 HB2 HIS 129 7.766 -5.868 -1.082 967 HB3 HIS 129 HB3 HIS 129 9.086 -5.300 -0.074 968 HD1 HIS 129 HD1 HIS 129 7.372 -4.717 -3.307 969 HD2 HIS 129 HD2 HIS 129 10.695 -3.271 -1.265 970 HE1 HIS 129 HE1 HIS 129 7.995 -2.572 -4.466 971 HE2 HIS 129 HE2 HIS 129 9.884 -1.621 -3.095 972 H HIS 130 H HIS 130 11.665 -6.647 -2.921 973 HA HIS 130 HA HIS 130 13.457 -6.119 -0.652 974 HB2 HIS 130 HB2 HIS 130 14.061 -8.073 -2.092 975 HB3 HIS 130 HB3 HIS 130 14.211 -6.979 -3.462 976 HD1 HIS 130 HD1 HIS 130 15.833 -7.734 -0.133 977 HD2 HIS 130 HD2 HIS 130 16.633 -5.686 -3.663 978 HE1 HIS 130 HE1 HIS 130 18.221 -6.978 0.046 979 HE2 HIS 130 HE2 HIS 130 18.602 -5.546 -1.981 980 H HIS 131 H HIS 131 13.831 -4.045 -0.325 981 HA HIS 131 HA HIS 131 14.234 -2.364 -2.695 982 HB2 HIS 131 HB2 HIS 131 13.485 -0.378 -1.454 983 HB3 HIS 131 HB3 HIS 131 12.218 -1.572 -1.614 984 HD1 HIS 131 HD1 HIS 131 11.169 0.015 0.301 985 HD2 HIS 131 HD2 HIS 131 14.384 -2.368 1.452 986 HE1 HIS 131 HE1 HIS 131 11.142 -0.004 2.819 987 HE2 HIS 131 HE2 HIS 131 13.200 -1.279 3.481 Start of MODEL 8 1 H1 MET 1 H1 MET 1 3.744 -10.079 17.323 2 H2 MET 1 H2 MET 1 2.819 -11.227 16.489 3 H3 MET 1 H3 MET 1 2.317 -9.609 16.536 4 HA MET 1 HA MET 1 3.283 -10.159 14.405 5 HB2 MET 1 HB2 MET 1 3.494 -7.868 15.288 6 HB3 MET 1 HB3 MET 1 4.983 -8.323 16.106 7 HG2 MET 1 HG2 MET 1 5.912 -8.877 13.839 8 HG3 MET 1 HG3 MET 1 4.493 -8.086 13.161 9 HE1 MET 1 HE1 MET 1 5.029 -4.410 13.642 10 HE2 MET 1 HE2 MET 1 3.802 -5.561 14.180 11 HE3 MET 1 HE3 MET 1 4.465 -5.673 12.548 12 H LYS 2 H LYS 2 4.692 -11.371 13.298 13 HA LYS 2 HA LYS 2 7.283 -11.990 14.513 14 HB2 LYS 2 HB2 LYS 2 7.180 -14.260 13.551 15 HB3 LYS 2 HB3 LYS 2 5.906 -13.989 14.728 16 HG2 LYS 2 HG2 LYS 2 4.261 -13.786 13.019 17 HG3 LYS 2 HG3 LYS 2 5.495 -13.796 11.757 18 HD2 LYS 2 HD2 LYS 2 6.069 -16.062 12.249 19 HD3 LYS 2 HD3 LYS 2 5.026 -16.068 13.672 20 HE2 LYS 2 HE2 LYS 2 4.025 -15.643 10.866 21 HE3 LYS 2 HE3 LYS 2 4.084 -17.219 11.657 22 HZ1 LYS 2 HZ1 LYS 2 2.676 -16.274 13.430 23 HZ2 LYS 2 HZ2 LYS 2 1.916 -16.314 11.920 24 HZ3 LYS 2 HZ3 LYS 2 2.518 -14.850 12.523 25 H ASP 3 H ASP 3 8.825 -12.799 12.641 26 HA ASP 3 HA ASP 3 8.764 -10.818 10.607 27 HB2 ASP 3 HB2 ASP 3 10.831 -11.662 9.809 28 HB3 ASP 3 HB3 ASP 3 10.883 -11.802 11.558 29 H GLY 4 H GLY 4 8.179 -10.841 8.610 30 HA2 GLY 4 HA2 GLY 4 7.829 -12.839 6.779 31 HA3 GLY 4 HA3 GLY 4 6.306 -12.789 7.668 32 H THR 5 H THR 5 6.229 -12.144 4.991 33 HA THR 5 HA THR 5 6.024 -9.214 5.073 34 HB THR 5 HB THR 5 6.111 -10.733 2.482 35 HG1 THR 5 HG1 THR 5 8.477 -9.695 3.625 36 HG21 THR 5 HG21 THR 5 7.074 -7.995 3.324 37 HG22 THR 5 HG22 THR 5 5.585 -8.338 2.442 38 HG23 THR 5 HG23 THR 5 7.149 -8.658 1.690 39 H TYR 6 H TYR 6 4.111 -8.624 5.454 40 HA TYR 6 HA TYR 6 1.815 -10.396 5.073 41 HB2 TYR 6 HB2 TYR 6 2.123 -7.804 6.640 42 HB3 TYR 6 HB3 TYR 6 0.712 -8.844 6.671 43 HD1 TYR 6 HD2 TYR 6 4.356 -8.844 7.521 44 HD2 TYR 6 HD1 TYR 6 0.503 -10.444 8.284 45 HE1 TYR 6 HE2 TYR 6 5.251 -10.070 9.449 46 HE2 TYR 6 HE1 TYR 6 1.387 -11.661 10.208 47 HH TYR 6 HH TYR 6 4.673 -11.224 11.317 48 H TYR 7 H TYR 7 0.491 -10.068 3.438 49 HA TYR 7 HA TYR 7 0.505 -7.395 2.227 50 HB2 TYR 7 HB2 TYR 7 1.021 -8.460 0.323 51 HB3 TYR 7 HB3 TYR 7 0.908 -10.012 1.127 52 HD1 TYR 7 HD1 TYR 7 -0.807 -7.607 -1.025 53 HD2 TYR 7 HD2 TYR 7 -1.046 -11.374 0.919 54 HE1 TYR 7 HE1 TYR 7 -2.739 -8.195 -2.431 55 HE2 TYR 7 HE2 TYR 7 -2.987 -11.980 -0.488 56 HH TYR 7 HH TYR 7 -4.771 -10.780 -1.748 57 H ALA 8 H ALA 8 -1.405 -6.328 1.927 58 HA ALA 8 HA ALA 8 -3.900 -7.821 2.367 59 HB1 ALA 8 HB1 ALA 8 -3.409 -6.621 4.437 60 HB2 ALA 8 HB2 ALA 8 -4.827 -5.952 3.628 61 HB3 ALA 8 HB3 ALA 8 -3.278 -5.114 3.533 62 H GLU 9 H GLU 9 -5.722 -6.905 1.240 63 HA GLU 9 HA GLU 9 -4.908 -5.112 -0.953 64 HB2 GLU 9 HB2 GLU 9 -6.406 -6.258 -2.435 65 HB3 GLU 9 HB3 GLU 9 -5.375 -7.446 -1.657 66 HG2 GLU 9 HG2 GLU 9 -7.165 -8.101 -0.184 67 HG3 GLU 9 HG3 GLU 9 -8.197 -6.823 -0.823 68 H ALA 10 H ALA 10 -6.332 -3.510 -1.613 69 HA ALA 10 HA ALA 10 -7.615 -2.132 0.423 70 HB1 ALA 10 HB1 ALA 10 -7.991 -1.733 -2.543 71 HB2 ALA 10 HB2 ALA 10 -6.680 -1.062 -1.570 72 HB3 ALA 10 HB3 ALA 10 -8.343 -0.552 -1.281 73 H ASP 11 H ASP 11 -9.869 -1.248 0.401 74 HA ASP 11 HA ASP 11 -11.700 -3.331 0.874 75 HB2 ASP 11 HB2 ASP 11 -11.784 -1.130 2.001 76 HB3 ASP 11 HB3 ASP 11 -12.277 -0.381 0.483 77 H ASP 12 H ASP 12 -11.626 -0.935 -1.748 78 HA ASP 12 HA ASP 12 -12.859 -2.949 -3.474 79 HB2 ASP 12 HB2 ASP 12 -14.484 -1.058 -2.625 80 HB3 ASP 12 HB3 ASP 12 -13.637 -0.055 -3.800 81 H PHE 13 H PHE 13 -12.572 -2.150 -5.868 82 HA PHE 13 HA PHE 13 -9.800 -1.613 -6.281 83 HB2 PHE 13 HB2 PHE 13 -12.144 -1.779 -8.181 84 HB3 PHE 13 HB3 PHE 13 -10.502 -1.452 -8.722 85 HD1 PHE 13 HD1 PHE 13 -8.789 -3.176 -8.585 86 HD2 PHE 13 HD2 PHE 13 -12.812 -3.970 -7.465 87 HE1 PHE 13 HE1 PHE 13 -8.327 -5.592 -8.661 88 HE2 PHE 13 HE2 PHE 13 -12.357 -6.385 -7.539 89 HZ PHE 13 HZ PHE 13 -10.113 -7.197 -8.137 90 H ASP 14 H ASP 14 -8.807 0.237 -6.955 91 HA ASP 14 HA ASP 14 -10.070 2.693 -6.181 92 HB2 ASP 14 HB2 ASP 14 -7.552 1.887 -6.000 93 HB3 ASP 14 HB3 ASP 14 -7.425 2.618 -7.595 94 H GLU 15 H GLU 15 -9.033 4.543 -7.991 95 HA GLU 15 HA GLU 15 -11.218 4.749 -9.720 96 HB2 GLU 15 HB2 GLU 15 -8.585 6.207 -9.981 97 HB3 GLU 15 HB3 GLU 15 -10.160 6.747 -10.544 98 HG2 GLU 15 HG2 GLU 15 -9.394 6.347 -7.660 99 HG3 GLU 15 HG3 GLU 15 -9.414 7.895 -8.498 100 H SER 16 H SER 16 -7.884 3.761 -10.375 101 HA SER 16 HA SER 16 -8.349 3.449 -13.209 102 HB2 SER 16 HB2 SER 16 -5.952 2.520 -13.043 103 HB3 SER 16 HB3 SER 16 -6.218 4.231 -12.691 104 HG SER 16 HG SER 16 -4.958 2.720 -11.135 105 H GLY 17 H GLY 17 -9.349 1.594 -10.758 106 HA2 GLY 17 HA2 GLY 17 -10.208 -0.554 -10.785 107 HA3 GLY 17 HA3 GLY 17 -9.499 -0.781 -12.380 108 H TRP 18 H TRP 18 -7.571 0.299 -9.689 109 HA TRP 18 HA TRP 18 -6.252 -2.327 -9.678 110 HB2 TRP 18 HB2 TRP 18 -5.131 0.424 -9.134 111 HB3 TRP 18 HB3 TRP 18 -4.265 -1.058 -8.755 112 HD1 TRP 18 HD1 TRP 18 -5.404 1.069 -11.706 113 HE1 TRP 18 HE1 TRP 18 -4.075 0.387 -13.788 114 HE3 TRP 18 HE3 TRP 18 -3.021 -3.026 -9.843 115 HZ2 TRP 18 HZ2 TRP 18 -2.274 -1.617 -14.553 116 HZ3 TRP 18 HZ3 TRP 18 -1.510 -4.274 -11.320 117 HH2 TRP 18 HH2 TRP 18 -1.145 -3.581 -13.627 118 H LYS 19 H LYS 19 -6.235 -3.457 -7.917 119 HA LYS 19 HA LYS 19 -7.306 -2.368 -5.446 120 HB2 LYS 19 HB2 LYS 19 -7.915 -4.680 -6.382 121 HB3 LYS 19 HB3 LYS 19 -6.281 -5.176 -5.954 122 HG2 LYS 19 HG2 LYS 19 -7.748 -5.851 -4.209 123 HG3 LYS 19 HG3 LYS 19 -6.766 -4.508 -3.612 124 HD2 LYS 19 HD2 LYS 19 -8.804 -3.785 -2.924 125 HD3 LYS 19 HD3 LYS 19 -8.797 -3.097 -4.549 126 HE2 LYS 19 HE2 LYS 19 -10.896 -4.115 -4.305 127 HE3 LYS 19 HE3 LYS 19 -9.948 -5.228 -5.295 128 HZ1 LYS 19 HZ1 LYS 19 -11.209 -6.343 -3.528 129 HZ2 LYS 19 HZ2 LYS 19 -10.331 -5.476 -2.364 130 HZ3 LYS 19 HZ3 LYS 19 -9.536 -6.585 -3.373 131 H ASP 20 H ASP 20 -5.757 -1.090 -4.578 132 HA ASP 20 HA ASP 20 -2.996 -1.720 -4.855 133 HB2 ASP 20 HB2 ASP 20 -4.528 0.473 -3.570 134 HB3 ASP 20 HB3 ASP 20 -2.806 0.272 -3.226 135 H THR 21 H THR 21 -1.673 -2.661 -3.589 136 HA THR 21 HA THR 21 -2.746 -3.690 -1.061 137 HB THR 21 HB THR 21 -1.622 -5.817 -1.438 138 HG1 THR 21 HG1 THR 21 -0.410 -4.413 -3.446 139 HG21 THR 21 HG21 THR 21 -2.893 -6.683 -3.341 140 HG22 THR 21 HG22 THR 21 -3.258 -5.032 -3.847 141 HG23 THR 21 HG23 THR 21 -3.884 -5.646 -2.315 142 H VAL 22 H VAL 22 -1.405 -3.790 0.630 143 HA VAL 22 HA VAL 22 1.240 -2.548 0.237 144 HB VAL 22 HB VAL 22 -0.640 -2.186 2.587 145 HG11 VAL 22 HG11 VAL 22 2.139 -1.072 2.196 146 HG12 VAL 22 HG12 VAL 22 1.674 -2.301 3.372 147 HG13 VAL 22 HG13 VAL 22 1.037 -0.661 3.511 148 HG21 VAL 22 HG21 VAL 22 0.417 -0.217 0.553 149 HG22 VAL 22 HG22 VAL 22 -0.604 0.183 1.934 150 HG23 VAL 22 HG23 VAL 22 -1.232 -0.840 0.640 151 H THR 23 H THR 23 2.792 -3.912 0.540 152 HA THR 23 HA THR 23 2.296 -6.285 2.179 153 HB THR 23 HB THR 23 4.683 -6.070 0.390 154 HG1 THR 23 HG1 THR 23 3.317 -5.570 -1.200 155 HG21 THR 23 HG21 THR 23 4.287 -8.031 1.799 156 HG22 THR 23 HG22 THR 23 4.211 -8.438 0.083 157 HG23 THR 23 HG23 THR 23 2.724 -8.268 1.018 158 H ILE 24 H ILE 24 3.048 -6.103 4.174 159 HA ILE 24 HA ILE 24 5.164 -4.193 4.807 160 HB ILE 24 HB ILE 24 3.267 -5.746 6.588 161 HG12 ILE 24 HG12 ILE 24 2.218 -4.049 5.115 162 HG13 ILE 24 HG13 ILE 24 2.031 -3.692 6.833 163 HG21 ILE 24 HG21 ILE 24 3.967 -4.256 8.402 164 HG22 ILE 24 HG22 ILE 24 5.176 -3.531 7.343 165 HG23 ILE 24 HG23 ILE 24 5.310 -5.229 7.802 166 HD11 ILE 24 HD11 ILE 24 2.510 -1.677 5.562 167 HD12 ILE 24 HD12 ILE 24 3.998 -2.397 4.949 168 HD13 ILE 24 HD13 ILE 24 3.839 -2.035 6.668 169 H GLU 25 H GLU 25 7.230 -4.958 4.945 170 HA GLU 25 HA GLU 25 7.569 -7.759 5.656 171 HB2 GLU 25 HB2 GLU 25 8.909 -7.139 3.768 172 HB3 GLU 25 HB3 GLU 25 9.586 -5.758 4.627 173 HG2 GLU 25 HG2 GLU 25 10.810 -7.134 6.087 174 HG3 GLU 25 HG3 GLU 25 9.950 -8.584 5.583 175 H VAL 26 H VAL 26 7.483 -8.158 7.632 176 HA VAL 26 HA VAL 26 8.871 -6.525 9.606 177 HB VAL 26 HB VAL 26 7.149 -8.994 9.980 178 HG11 VAL 26 HG11 VAL 26 8.773 -8.737 11.778 179 HG12 VAL 26 HG12 VAL 26 7.140 -8.398 12.355 180 HG13 VAL 26 HG13 VAL 26 8.253 -7.068 12.023 181 HG21 VAL 26 HG21 VAL 26 5.845 -7.112 9.161 182 HG22 VAL 26 HG22 VAL 26 6.502 -6.084 10.434 183 HG23 VAL 26 HG23 VAL 26 5.458 -7.443 10.849 184 H LYS 27 H LYS 27 10.651 -7.196 10.613 185 HA LYS 27 HA LYS 27 11.746 -9.858 10.370 186 HB2 LYS 27 HB2 LYS 27 12.323 -8.591 8.223 187 HB3 LYS 27 HB3 LYS 27 13.283 -7.525 9.230 188 HG2 LYS 27 HG2 LYS 27 14.718 -9.384 9.858 189 HG3 LYS 27 HG3 LYS 27 13.727 -10.481 8.883 190 HD2 LYS 27 HD2 LYS 27 15.278 -8.096 7.863 191 HD3 LYS 27 HD3 LYS 27 15.701 -9.794 7.625 192 HE2 LYS 27 HE2 LYS 27 13.873 -10.162 6.195 193 HE3 LYS 27 HE3 LYS 27 13.059 -8.691 6.720 194 HZ1 LYS 27 HZ1 LYS 27 13.928 -8.303 4.577 195 HZ2 LYS 27 HZ2 LYS 27 15.457 -8.903 4.994 196 HZ3 LYS 27 HZ3 LYS 27 14.913 -7.442 5.655 197 H ASN 28 H ASN 28 12.920 -10.225 12.179 198 HA ASN 28 HA ASN 28 13.954 -9.958 14.178 199 HB2 ASN 28 HB2 ASN 28 14.513 -7.166 13.172 200 HB3 ASN 28 HB3 ASN 28 15.121 -7.782 14.701 201 HD21 ASN 28 HD21 ASN 28 15.492 -7.677 11.319 202 HD22 ASN 28 HD22 ASN 28 16.923 -8.638 11.206 203 H GLY 29 H GLY 29 11.118 -9.476 13.827 204 HA2 GLY 29 HA2 GLY 29 9.341 -9.000 15.197 205 HA3 GLY 29 HA3 GLY 29 10.482 -8.436 16.397 206 H LYS 30 H LYS 30 10.908 -6.772 13.477 207 HA LYS 30 HA LYS 30 8.883 -4.764 14.074 208 HB2 LYS 30 HB2 LYS 30 10.785 -2.987 13.801 209 HB3 LYS 30 HB3 LYS 30 10.496 -3.731 15.360 210 HG2 LYS 30 HG2 LYS 30 12.803 -3.723 15.175 211 HG3 LYS 30 HG3 LYS 30 12.370 -5.365 14.715 212 HD2 LYS 30 HD2 LYS 30 14.059 -4.577 13.213 213 HD3 LYS 30 HD3 LYS 30 12.537 -4.665 12.327 214 HE2 LYS 30 HE2 LYS 30 13.740 -2.629 11.766 215 HE3 LYS 30 HE3 LYS 30 12.240 -2.250 12.609 216 HZ1 LYS 30 HZ1 LYS 30 13.493 -1.915 14.636 217 HZ2 LYS 30 HZ2 LYS 30 14.090 -0.915 13.406 218 HZ3 LYS 30 HZ3 LYS 30 14.938 -2.315 13.845 219 H ILE 31 H ILE 31 8.817 -3.021 12.320 220 HA ILE 31 HA ILE 31 8.923 -4.342 9.766 221 HB ILE 31 HB ILE 31 8.305 -1.432 10.324 222 HG12 ILE 31 HG12 ILE 31 6.372 -3.744 10.032 223 HG13 ILE 31 HG13 ILE 31 6.810 -3.001 11.565 224 HG21 ILE 31 HG21 ILE 31 7.673 -3.189 7.950 225 HG22 ILE 31 HG22 ILE 31 8.858 -1.882 7.995 226 HG23 ILE 31 HG23 ILE 31 7.140 -1.522 8.165 227 HD11 ILE 31 HD11 ILE 31 5.830 -0.895 10.837 228 HD12 ILE 31 HD12 ILE 31 4.651 -2.204 10.748 229 HD13 ILE 31 HD13 ILE 31 5.428 -1.613 9.278 230 H VAL 32 H VAL 32 10.729 -4.490 8.589 231 HA VAL 32 HA VAL 32 12.826 -2.488 8.973 232 HB VAL 32 HB VAL 32 14.269 -4.002 7.616 233 HG11 VAL 32 HG11 VAL 32 14.338 -4.094 10.037 234 HG12 VAL 32 HG12 VAL 32 14.565 -5.701 9.347 235 HG13 VAL 32 HG13 VAL 32 13.010 -5.255 10.048 236 HG21 VAL 32 HG21 VAL 32 11.948 -5.919 7.807 237 HG22 VAL 32 HG22 VAL 32 13.561 -6.306 7.209 238 HG23 VAL 32 HG23 VAL 32 12.546 -5.158 6.333 239 H SER 33 H SER 33 10.459 -3.526 6.685 240 HA SER 33 HA SER 33 11.214 -1.577 4.716 241 HB2 SER 33 HB2 SER 33 11.558 -4.532 4.121 242 HB3 SER 33 HB3 SER 33 11.524 -3.274 2.890 243 HG SER 33 HG SER 33 13.294 -2.656 4.830 244 H VAL 34 H VAL 34 9.736 -1.721 2.823 245 HA VAL 34 HA VAL 34 7.366 -3.340 3.152 246 HB VAL 34 HB VAL 34 6.704 -1.416 4.461 247 HG11 VAL 34 HG11 VAL 34 8.228 0.227 3.630 248 HG12 VAL 34 HG12 VAL 34 6.574 0.833 3.510 249 HG13 VAL 34 HG13 VAL 34 7.407 0.239 2.072 250 HG21 VAL 34 HG21 VAL 34 5.366 -1.334 1.758 251 HG22 VAL 34 HG22 VAL 34 4.723 -0.620 3.237 252 HG23 VAL 34 HG23 VAL 34 4.929 -2.369 3.118 253 H ASP 35 H ASP 35 6.428 -3.858 1.322 254 HA ASP 35 HA ASP 35 7.695 -2.990 -1.184 255 HB2 ASP 35 HB2 ASP 35 8.172 -5.338 -0.507 256 HB3 ASP 35 HB3 ASP 35 6.444 -5.666 -0.484 257 H TRP 36 H TRP 36 6.357 -2.536 -2.915 258 HA TRP 36 HA TRP 36 3.522 -2.251 -2.227 259 HB2 TRP 36 HB2 TRP 36 3.849 -0.392 -4.183 260 HB3 TRP 36 HB3 TRP 36 3.912 -0.060 -2.460 261 HD1 TRP 36 HD1 TRP 36 6.172 0.769 -1.467 262 HE1 TRP 36 HE1 TRP 36 8.433 1.450 -2.490 263 HE3 TRP 36 HE3 TRP 36 5.514 -1.065 -6.198 264 HZ2 TRP 36 HZ2 TRP 36 9.755 1.239 -4.960 265 HZ3 TRP 36 HZ3 TRP 36 7.334 -0.784 -7.828 266 HH2 TRP 36 HH2 TRP 36 9.412 0.345 -7.219 267 H ASN 37 H ASN 37 1.958 -2.532 -3.802 268 HA ASN 37 HA ASN 37 2.535 -3.943 -6.257 269 HB2 ASN 37 HB2 ASN 37 3.085 -5.605 -4.467 270 HB3 ASN 37 HB3 ASN 37 1.461 -5.432 -3.825 271 HD21 ASN 37 HD21 ASN 37 0.666 -7.374 -4.100 272 HD22 ASN 37 HD22 ASN 37 0.517 -8.193 -5.617 273 H ALA 38 H ALA 38 0.421 -4.470 -7.383 274 HA ALA 38 HA ALA 38 -2.047 -3.676 -6.077 275 HB1 ALA 38 HB1 ALA 38 -2.674 -2.027 -7.730 276 HB2 ALA 38 HB2 ALA 38 -1.131 -2.240 -8.560 277 HB3 ALA 38 HB3 ALA 38 -1.173 -1.552 -6.932 278 H ILE 39 H ILE 39 -3.859 -4.609 -6.959 279 HA ILE 39 HA ILE 39 -3.373 -6.643 -9.046 280 HB ILE 39 HB ILE 39 -5.726 -6.458 -7.157 281 HG12 ILE 39 HG12 ILE 39 -3.229 -8.120 -6.790 282 HG13 ILE 39 HG13 ILE 39 -3.573 -6.635 -5.918 283 HG21 ILE 39 HG21 ILE 39 -6.135 -7.842 -9.111 284 HG22 ILE 39 HG22 ILE 39 -6.008 -8.849 -7.669 285 HG23 ILE 39 HG23 ILE 39 -4.659 -8.758 -8.801 286 HD11 ILE 39 HD11 ILE 39 -5.561 -7.668 -4.944 287 HD12 ILE 39 HD12 ILE 39 -4.088 -8.560 -4.553 288 HD13 ILE 39 HD13 ILE 39 -5.187 -9.169 -5.792 289 H ASN 40 H ASN 40 -4.149 -6.131 -11.072 290 HA ASN 40 HA ASN 40 -6.139 -4.024 -11.287 291 HB2 ASN 40 HB2 ASN 40 -4.205 -4.100 -12.856 292 HB3 ASN 40 HB3 ASN 40 -4.869 -5.576 -13.549 293 HD21 ASN 40 HD21 ASN 40 -5.661 -2.175 -12.921 294 HD22 ASN 40 HD22 ASN 40 -6.656 -1.982 -14.320 295 H LYS 41 H LYS 41 -8.142 -4.178 -11.951 296 HA LYS 41 HA LYS 41 -9.641 -6.501 -11.453 297 HB2 LYS 41 HB2 LYS 41 -10.349 -4.131 -11.158 298 HB3 LYS 41 HB3 LYS 41 -10.422 -3.966 -12.903 299 HG2 LYS 41 HG2 LYS 41 -12.186 -5.685 -12.955 300 HG3 LYS 41 HG3 LYS 41 -12.138 -5.743 -11.189 301 HD2 LYS 41 HD2 LYS 41 -12.722 -3.381 -11.084 302 HD3 LYS 41 HD3 LYS 41 -12.723 -3.293 -12.842 303 HE2 LYS 41 HE2 LYS 41 -14.530 -5.104 -11.254 304 HE3 LYS 41 HE3 LYS 41 -14.990 -3.495 -11.810 305 HZ1 LYS 41 HZ1 LYS 41 -14.155 -5.743 -13.565 306 HZ2 LYS 41 HZ2 LYS 41 -14.639 -4.205 -14.081 307 HZ3 LYS 41 HZ3 LYS 41 -15.750 -5.232 -13.320 308 H ASP 42 H ASP 42 -8.691 -4.912 -14.468 309 HA ASP 42 HA ASP 42 -10.165 -6.695 -16.163 310 HB2 ASP 42 HB2 ASP 42 -9.780 -4.364 -16.796 311 HB3 ASP 42 HB3 ASP 42 -8.042 -4.623 -16.772 312 H GLY 43 H GLY 43 -6.816 -6.379 -15.103 313 HA2 GLY 43 HA2 GLY 43 -5.746 -8.394 -16.832 314 HA3 GLY 43 HA3 GLY 43 -4.951 -7.689 -15.435 315 H GLY 44 H GLY 44 -6.422 -8.355 -13.340 316 HA2 GLY 44 HA2 GLY 44 -7.605 -10.166 -12.296 317 HA3 GLY 44 HA3 GLY 44 -6.921 -11.252 -13.494 318 H ASP 45 H ASP 45 -4.366 -9.455 -12.804 319 HA ASP 45 HA ASP 45 -3.533 -11.235 -10.618 320 HB2 ASP 45 HB2 ASP 45 -1.937 -10.432 -13.061 321 HB3 ASP 45 HB3 ASP 45 -1.285 -11.330 -11.695 322 H ASP 46 H ASP 46 -1.206 -10.482 -9.912 323 HA ASP 46 HA ASP 46 -1.564 -7.885 -8.684 324 HB2 ASP 46 HB2 ASP 46 0.715 -9.882 -8.525 325 HB3 ASP 46 HB3 ASP 46 0.562 -8.449 -7.514 326 H LYS 47 H LYS 47 0.459 -6.406 -8.615 327 HA LYS 47 HA LYS 47 1.243 -5.649 -11.227 328 HB2 LYS 47 HB2 LYS 47 1.581 -4.626 -8.547 329 HB3 LYS 47 HB3 LYS 47 3.095 -4.511 -9.441 330 HG2 LYS 47 HG2 LYS 47 0.439 -3.453 -10.394 331 HG3 LYS 47 HG3 LYS 47 1.721 -2.488 -9.653 332 HD2 LYS 47 HD2 LYS 47 3.203 -2.910 -11.456 333 HD3 LYS 47 HD3 LYS 47 2.153 -4.161 -12.119 334 HE2 LYS 47 HE2 LYS 47 1.922 -2.212 -13.467 335 HE3 LYS 47 HE3 LYS 47 0.443 -2.414 -12.531 336 HZ1 LYS 47 HZ1 LYS 47 1.094 -0.694 -11.061 337 HZ2 LYS 47 HZ2 LYS 47 1.270 -0.105 -12.642 338 HZ3 LYS 47 HZ3 LYS 47 2.639 -0.582 -11.760 339 H ASP 48 H ASP 48 2.670 -7.722 -8.841 340 HA ASP 48 HA ASP 48 5.154 -8.228 -10.030 341 HB2 ASP 48 HB2 ASP 48 4.674 -9.056 -7.828 342 HB3 ASP 48 HB3 ASP 48 3.269 -9.940 -8.402 343 H THR 49 H THR 49 2.051 -9.935 -10.410 344 HA THR 49 HA THR 49 3.181 -11.810 -12.246 345 HB THR 49 HB THR 49 0.247 -11.552 -11.652 346 HG1 THR 49 HG1 THR 49 2.364 -12.105 -9.907 347 HG21 THR 49 HG21 THR 49 0.335 -14.002 -11.752 348 HG22 THR 49 HG22 THR 49 2.075 -13.934 -12.032 349 HG23 THR 49 HG23 THR 49 0.963 -13.289 -13.239 350 H LEU 50 H LEU 50 1.181 -8.919 -12.586 351 HA LEU 50 HA LEU 50 0.404 -9.382 -15.283 352 HB2 LEU 50 HB2 LEU 50 0.482 -6.915 -13.577 353 HB3 LEU 50 HB3 LEU 50 0.050 -6.839 -15.275 354 HG LEU 50 HG LEU 50 -1.403 -8.459 -13.181 355 HD11 LEU 50 HD11 LEU 50 -3.175 -6.805 -13.482 356 HD12 LEU 50 HD12 LEU 50 -2.122 -5.882 -14.556 357 HD13 LEU 50 HD13 LEU 50 -1.696 -6.081 -12.855 358 HD21 LEU 50 HD21 LEU 50 -3.098 -8.754 -14.931 359 HD22 LEU 50 HD22 LEU 50 -1.554 -9.474 -15.390 360 HD23 LEU 50 HD23 LEU 50 -2.046 -7.928 -16.084 361 H SER 51 H SER 51 3.222 -7.826 -13.834 362 HA SER 51 HA SER 51 4.273 -6.869 -16.313 363 HB2 SER 51 HB2 SER 51 5.716 -7.463 -13.719 364 HB3 SER 51 HB3 SER 51 6.343 -6.503 -15.058 365 HG SER 51 HG SER 51 4.560 -5.821 -13.082 366 H ARG 52 H ARG 52 4.432 -9.883 -14.570 367 HA ARG 52 HA ARG 52 6.527 -11.076 -16.102 368 HB2 ARG 52 HB2 ARG 52 4.428 -12.229 -14.262 369 HB3 ARG 52 HB3 ARG 52 5.689 -13.194 -15.018 370 HG2 ARG 52 HG2 ARG 52 7.392 -12.111 -13.822 371 HG3 ARG 52 HG3 ARG 52 6.324 -10.799 -13.327 372 HD2 ARG 52 HD2 ARG 52 6.723 -12.269 -11.460 373 HD3 ARG 52 HD3 ARG 52 5.040 -12.396 -11.963 374 HE ARG 52 HE ARG 52 6.586 -14.405 -13.223 375 HH11 ARG 52 HH11 ARG 52 5.254 -13.566 -10.071 376 HH12 ARG 52 HH12 ARG 52 5.181 -15.218 -9.532 377 HH21 ARG 52 HH21 ARG 52 6.464 -16.561 -12.518 378 HH22 ARG 52 HH22 ARG 52 5.859 -16.922 -10.926 379 H ASN 53 H ASN 53 3.024 -10.943 -16.394 380 HA ASN 53 HA ASN 53 2.947 -12.847 -18.577 381 HB2 ASN 53 HB2 ASN 53 0.918 -11.233 -17.094 382 HB3 ASN 53 HB3 ASN 53 0.505 -11.829 -18.700 383 HD21 ASN 53 HD21 ASN 53 1.250 -12.707 -15.417 384 HD22 ASN 53 HD22 ASN 53 0.699 -14.344 -15.529 385 H GLY 54 H GLY 54 3.036 -9.402 -18.155 386 HA2 GLY 54 HA2 GLY 54 3.682 -7.827 -19.782 387 HA3 GLY 54 HA3 GLY 54 3.332 -9.008 -21.035 388 H GLY 55 H GLY 55 0.991 -8.518 -18.531 389 HA2 GLY 55 HA2 GLY 55 -0.779 -7.258 -20.523 390 HA3 GLY 55 HA3 GLY 55 -1.323 -8.376 -19.289 391 H TYR 56 H TYR 56 0.725 -5.479 -19.192 392 HA TYR 56 HA TYR 56 -0.655 -4.417 -16.915 393 HB2 TYR 56 HB2 TYR 56 1.789 -4.094 -17.373 394 HB3 TYR 56 HB3 TYR 56 1.373 -3.084 -18.740 395 HD1 TYR 56 HD2 TYR 56 -1.001 -2.016 -16.512 396 HD2 TYR 56 HD1 TYR 56 3.229 -2.014 -16.954 397 HE1 TYR 56 HE2 TYR 56 -0.859 -0.033 -15.080 398 HE2 TYR 56 HE1 TYR 56 3.379 -0.032 -15.510 399 HH TYR 56 HH TYR 56 1.993 1.807 -14.750 400 H LYS 57 H LYS 57 -2.801 -4.341 -17.710 401 HA LYS 57 HA LYS 57 -3.339 -1.965 -19.348 402 HB2 LYS 57 HB2 LYS 57 -4.999 -4.423 -18.808 403 HB3 LYS 57 HB3 LYS 57 -5.687 -2.958 -19.495 404 HG2 LYS 57 HG2 LYS 57 -4.030 -3.122 -21.343 405 HG3 LYS 57 HG3 LYS 57 -3.526 -4.679 -20.685 406 HD2 LYS 57 HD2 LYS 57 -5.717 -5.596 -21.037 407 HD3 LYS 57 HD3 LYS 57 -6.345 -4.019 -21.524 408 HE2 LYS 57 HE2 LYS 57 -4.853 -4.020 -23.453 409 HE3 LYS 57 HE3 LYS 57 -4.209 -5.585 -22.963 410 HZ1 LYS 57 HZ1 LYS 57 -5.871 -5.803 -24.697 411 HZ2 LYS 57 HZ2 LYS 57 -7.028 -5.042 -23.722 412 HZ3 LYS 57 HZ3 LYS 57 -6.392 -6.546 -23.269 413 H MET 58 H MET 58 -5.036 -0.571 -18.729 414 HA MET 58 HA MET 58 -5.771 -0.611 -15.871 415 HB2 MET 58 HB2 MET 58 -5.042 1.825 -17.524 416 HB3 MET 58 HB3 MET 58 -5.634 1.862 -15.874 417 HG2 MET 58 HG2 MET 58 -3.618 0.733 -15.110 418 HG3 MET 58 HG3 MET 58 -3.033 0.637 -16.771 419 HE1 MET 58 HE1 MET 58 -2.362 4.374 -17.661 420 HE2 MET 58 HE2 MET 58 -3.813 3.429 -18.003 421 HE3 MET 58 HE3 MET 58 -2.219 2.697 -18.188 422 H VAL 59 H VAL 59 -7.891 0.311 -15.432 423 HA VAL 59 HA VAL 59 -9.590 0.381 -17.813 424 HB VAL 59 HB VAL 59 -11.507 0.015 -16.501 425 HG11 VAL 59 HG11 VAL 59 -10.239 -2.000 -16.714 426 HG12 VAL 59 HG12 VAL 59 -10.990 -1.969 -15.115 427 HG13 VAL 59 HG13 VAL 59 -9.274 -1.600 -15.293 428 HG21 VAL 59 HG21 VAL 59 -11.606 0.079 -14.060 429 HG22 VAL 59 HG22 VAL 59 -11.159 1.646 -14.737 430 HG23 VAL 59 HG23 VAL 59 -9.927 0.617 -14.005 431 H GLU 60 H GLU 60 -7.945 2.458 -15.858 432 HA GLU 60 HA GLU 60 -9.234 4.795 -16.953 433 HB2 GLU 60 HB2 GLU 60 -10.545 4.490 -14.932 434 HB3 GLU 60 HB3 GLU 60 -9.103 4.234 -13.977 435 HG2 GLU 60 HG2 GLU 60 -10.064 6.389 -13.503 436 HG3 GLU 60 HG3 GLU 60 -8.490 6.577 -14.272 437 H TYR 61 H TYR 61 -7.803 6.578 -16.933 438 HA TYR 61 HA TYR 61 -5.021 5.715 -16.865 439 HB2 TYR 61 HB2 TYR 61 -6.201 8.275 -17.963 440 HB3 TYR 61 HB3 TYR 61 -4.583 7.643 -18.266 441 HD1 TYR 61 HD1 TYR 61 -4.309 5.581 -19.620 442 HD2 TYR 61 HD2 TYR 61 -8.077 7.503 -19.209 443 HE1 TYR 61 HE1 TYR 61 -5.156 4.325 -21.547 444 HE2 TYR 61 HE2 TYR 61 -8.936 6.250 -21.139 445 HH TYR 61 HH TYR 61 -7.362 3.564 -22.407 446 H GLY 62 H GLY 62 -7.160 7.469 -14.934 447 HA2 GLY 62 HA2 GLY 62 -5.146 9.186 -13.726 448 HA3 GLY 62 HA3 GLY 62 -6.845 9.105 -13.294 449 H GLY 63 H GLY 63 -4.430 6.529 -13.492 450 HA2 GLY 63 HA2 GLY 63 -4.487 6.258 -10.576 451 HA3 GLY 63 HA3 GLY 63 -4.881 4.865 -11.572 452 H ALA 64 H ALA 64 -2.576 7.003 -12.862 453 HA ALA 64 HA ALA 64 -0.439 5.124 -12.722 454 HB1 ALA 64 HB1 ALA 64 -0.678 6.692 -14.586 455 HB2 ALA 64 HB2 ALA 64 0.881 6.890 -13.787 456 HB3 ALA 64 HB3 ALA 64 -0.418 8.045 -13.486 457 H GLN 65 H GLN 65 -1.319 8.053 -10.995 458 HA GLN 65 HA GLN 65 0.967 7.771 -9.189 459 HB2 GLN 65 HB2 GLN 65 -1.129 9.951 -9.303 460 HB3 GLN 65 HB3 GLN 65 0.327 9.967 -8.320 461 HG2 GLN 65 HG2 GLN 65 0.203 10.049 -11.330 462 HG3 GLN 65 HG3 GLN 65 0.571 11.397 -10.259 463 HE21 GLN 65 HE21 GLN 65 1.761 8.538 -11.771 464 HE22 GLN 65 HE22 GLN 65 3.421 8.728 -11.327 465 H ALA 66 H ALA 66 -2.338 6.978 -9.418 466 HA ALA 66 HA ALA 66 -2.996 7.122 -6.631 467 HB1 ALA 66 HB1 ALA 66 -4.713 7.352 -8.352 468 HB2 ALA 66 HB2 ALA 66 -5.073 6.029 -7.242 469 HB3 ALA 66 HB3 ALA 66 -4.435 5.684 -8.850 470 H GLU 67 H GLU 67 -1.681 4.718 -8.765 471 HA GLU 67 HA GLU 67 -1.904 2.500 -6.989 472 HB2 GLU 67 HB2 GLU 67 -0.211 3.095 -9.378 473 HB3 GLU 67 HB3 GLU 67 0.092 1.677 -8.400 474 HG2 GLU 67 HG2 GLU 67 -2.278 0.997 -8.841 475 HG3 GLU 67 HG3 GLU 67 -2.337 2.306 -10.033 476 H TRP 68 H TRP 68 -0.277 1.494 -5.825 477 HA TRP 68 HA TRP 68 1.853 3.214 -4.856 478 HB2 TRP 68 HB2 TRP 68 1.184 0.378 -4.028 479 HB3 TRP 68 HB3 TRP 68 2.311 1.459 -3.220 480 HD1 TRP 68 HD1 TRP 68 -0.804 0.092 -2.508 481 HE1 TRP 68 HE1 TRP 68 -2.374 1.634 -1.200 482 HE3 TRP 68 HE3 TRP 68 1.599 4.543 -3.288 483 HZ2 TRP 68 HZ2 TRP 68 -2.562 4.401 -0.558 484 HZ3 TRP 68 HZ3 TRP 68 0.667 6.579 -2.285 485 HH2 TRP 68 HH2 TRP 68 -1.370 6.510 -0.949 486 H HIS 69 H HIS 69 3.017 3.375 -6.779 487 HA HIS 69 HA HIS 69 5.117 1.425 -6.804 488 HB2 HIS 69 HB2 HIS 69 5.139 0.863 -9.136 489 HB3 HIS 69 HB3 HIS 69 3.547 0.490 -8.506 490 HD1 HIS 69 HD1 HIS 69 1.556 1.849 -9.491 491 HD2 HIS 69 HD2 HIS 69 5.247 2.778 -11.148 492 HE1 HIS 69 HE1 HIS 69 1.054 3.171 -11.569 493 HE2 HIS 69 HE2 HIS 69 3.298 3.912 -12.406 494 H GLU 70 H GLU 70 3.849 4.531 -7.628 495 HA GLU 70 HA GLU 70 6.573 5.490 -8.208 496 HB2 GLU 70 HB2 GLU 70 3.891 6.444 -9.150 497 HB3 GLU 70 HB3 GLU 70 5.285 7.513 -9.159 498 HG2 GLU 70 HG2 GLU 70 6.476 5.971 -10.615 499 HG3 GLU 70 HG3 GLU 70 5.099 4.872 -10.585 500 H GLN 71 H GLN 71 3.507 6.689 -6.832 501 HA GLN 71 HA GLN 71 4.798 8.698 -5.272 502 HB2 GLN 71 HB2 GLN 71 1.992 7.606 -5.260 503 HB3 GLN 71 HB3 GLN 71 2.513 8.934 -4.235 504 HG2 GLN 71 HG2 GLN 71 2.567 8.923 -7.246 505 HG3 GLN 71 HG3 GLN 71 1.355 9.711 -6.237 506 HE21 GLN 71 HE21 GLN 71 4.588 9.844 -7.461 507 HE22 GLN 71 HE22 GLN 71 4.958 11.440 -6.901 508 H ALA 72 H ALA 72 4.179 5.399 -4.834 509 HA ALA 72 HA ALA 72 3.952 5.199 -2.046 510 HB1 ALA 72 HB1 ALA 72 3.327 3.415 -3.572 511 HB2 ALA 72 HB2 ALA 72 4.473 2.863 -2.349 512 HB3 ALA 72 HB3 ALA 72 5.022 3.187 -3.993 513 H GLU 73 H GLU 73 6.768 5.661 -4.089 514 HA GLU 73 HA GLU 73 8.745 4.603 -2.390 515 HB2 GLU 73 HB2 GLU 73 9.078 5.201 -4.783 516 HB3 GLU 73 HB3 GLU 73 9.044 6.900 -4.328 517 HG2 GLU 73 HG2 GLU 73 10.973 6.402 -2.784 518 HG3 GLU 73 HG3 GLU 73 11.074 4.826 -3.561 519 H LYS 74 H LYS 74 7.150 7.742 -2.383 520 HA LYS 74 HA LYS 74 8.944 8.961 -0.496 521 HB2 LYS 74 HB2 LYS 74 6.059 9.728 -1.019 522 HB3 LYS 74 HB3 LYS 74 7.323 10.746 -0.356 523 HG2 LYS 74 HG2 LYS 74 7.178 9.724 -3.187 524 HG3 LYS 74 HG3 LYS 74 6.783 11.353 -2.648 525 HD2 LYS 74 HD2 LYS 74 8.902 11.896 -3.066 526 HD3 LYS 74 HD3 LYS 74 9.358 10.895 -1.684 527 HE2 LYS 74 HE2 LYS 74 9.506 8.950 -3.182 528 HE3 LYS 74 HE3 LYS 74 9.112 9.993 -4.546 529 HZ1 LYS 74 HZ1 LYS 74 11.450 10.477 -2.800 530 HZ2 LYS 74 HZ2 LYS 74 11.130 11.133 -4.332 531 HZ3 LYS 74 HZ3 LYS 74 11.532 9.493 -4.178 532 H VAL 75 H VAL 75 5.950 7.214 -0.386 533 HA VAL 75 HA VAL 75 5.324 7.760 2.337 534 HB VAL 75 HB VAL 75 4.097 5.627 0.586 535 HG11 VAL 75 HG11 VAL 75 3.472 5.572 2.923 536 HG12 VAL 75 HG12 VAL 75 2.115 6.079 1.916 537 HG13 VAL 75 HG13 VAL 75 3.015 7.274 2.851 538 HG21 VAL 75 HG21 VAL 75 4.098 7.740 -0.655 539 HG22 VAL 75 HG22 VAL 75 3.351 8.550 0.722 540 HG23 VAL 75 HG23 VAL 75 2.470 7.293 -0.146 541 H GLU 76 H GLU 76 6.863 5.065 0.643 542 HA GLU 76 HA GLU 76 6.634 3.097 2.639 543 HB2 GLU 76 HB2 GLU 76 8.444 1.908 1.430 544 HB3 GLU 76 HB3 GLU 76 7.151 2.444 0.368 545 HG2 GLU 76 HG2 GLU 76 8.465 4.023 -0.655 546 HG3 GLU 76 HG3 GLU 76 9.552 4.165 0.722 547 H ALA 77 H ALA 77 9.189 5.442 1.985 548 HA ALA 77 HA ALA 77 11.044 4.607 3.912 549 HB1 ALA 77 HB1 ALA 77 11.641 6.079 2.093 550 HB2 ALA 77 HB2 ALA 77 12.002 6.861 3.635 551 HB3 ALA 77 HB3 ALA 77 10.568 7.331 2.715 552 H TYR 78 H TYR 78 8.256 6.701 4.108 553 HA TYR 78 HA TYR 78 8.825 7.771 6.679 554 HB2 TYR 78 HB2 TYR 78 7.301 8.732 4.853 555 HB3 TYR 78 HB3 TYR 78 6.087 7.600 5.449 556 HD1 TYR 78 HD2 TYR 78 8.378 10.286 6.609 557 HD2 TYR 78 HD1 TYR 78 4.699 8.236 7.210 558 HE1 TYR 78 HE2 TYR 78 7.788 11.879 8.377 559 HE2 TYR 78 HE1 TYR 78 4.104 9.827 8.984 560 HH TYR 78 HH TYR 78 5.970 12.691 9.584 561 H LEU 79 H LEU 79 7.010 4.969 5.539 562 HA LEU 79 HA LEU 79 5.734 4.320 7.982 563 HB2 LEU 79 HB2 LEU 79 5.147 3.497 5.672 564 HB3 LEU 79 HB3 LEU 79 6.531 2.440 5.756 565 HG LEU 79 HG LEU 79 4.161 1.487 6.192 566 HD11 LEU 79 HD11 LEU 79 5.013 -0.171 7.764 567 HD12 LEU 79 HD12 LEU 79 6.418 0.851 8.079 568 HD13 LEU 79 HD13 LEU 79 6.164 0.169 6.471 569 HD21 LEU 79 HD21 LEU 79 3.408 3.106 7.822 570 HD22 LEU 79 HD22 LEU 79 4.734 2.675 8.901 571 HD23 LEU 79 HD23 LEU 79 3.466 1.498 8.549 572 H VAL 80 H VAL 80 8.868 3.439 6.609 573 HA VAL 80 HA VAL 80 9.573 1.532 8.571 574 HB VAL 80 HB VAL 80 11.385 3.157 6.765 575 HG11 VAL 80 HG11 VAL 80 11.986 0.613 8.280 576 HG12 VAL 80 HG12 VAL 80 12.633 2.211 8.652 577 HG13 VAL 80 HG13 VAL 80 13.061 1.418 7.135 578 HG21 VAL 80 HG21 VAL 80 9.761 1.809 5.548 579 HG22 VAL 80 HG22 VAL 80 10.247 0.379 6.459 580 HG23 VAL 80 HG23 VAL 80 11.386 1.155 5.358 581 H GLU 81 H GLU 81 10.194 5.072 8.405 582 HA GLU 81 HA GLU 81 11.749 4.995 10.817 583 HB2 GLU 81 HB2 GLU 81 11.643 7.470 10.771 584 HB3 GLU 81 HB3 GLU 81 12.266 6.753 9.294 585 HG2 GLU 81 HG2 GLU 81 10.255 7.213 8.122 586 HG3 GLU 81 HG3 GLU 81 9.416 7.647 9.611 587 H LYS 82 H LYS 82 8.353 5.317 10.123 588 HA LYS 82 HA LYS 82 7.610 6.356 12.685 589 HB2 LYS 82 HB2 LYS 82 6.136 5.156 10.376 590 HB3 LYS 82 HB3 LYS 82 5.320 5.280 11.928 591 HG2 LYS 82 HG2 LYS 82 6.545 7.567 10.404 592 HG3 LYS 82 HG3 LYS 82 4.823 7.178 10.486 593 HD2 LYS 82 HD2 LYS 82 4.912 7.462 12.932 594 HD3 LYS 82 HD3 LYS 82 6.606 7.935 12.794 595 HE2 LYS 82 HE2 LYS 82 5.909 9.800 11.333 596 HE3 LYS 82 HE3 LYS 82 4.228 9.351 11.621 597 HZ1 LYS 82 HZ1 LYS 82 4.881 11.122 13.082 598 HZ2 LYS 82 HZ2 LYS 82 6.185 10.219 13.671 599 HZ3 LYS 82 HZ3 LYS 82 4.598 9.717 13.989 600 H GLN 83 H GLN 83 8.029 3.155 11.339 601 HA GLN 83 HA GLN 83 7.956 1.045 12.151 602 HB2 GLN 83 HB2 GLN 83 8.270 2.476 14.789 603 HB3 GLN 83 HB3 GLN 83 8.214 0.726 14.660 604 HG2 GLN 83 HG2 GLN 83 10.223 2.442 13.226 605 HG3 GLN 83 HG3 GLN 83 10.499 1.710 14.806 606 HE21 GLN 83 HE21 GLN 83 10.098 1.130 11.413 607 HE22 GLN 83 HE22 GLN 83 10.682 -0.502 11.423 608 H ASP 84 H ASP 84 5.420 2.747 11.939 609 HA ASP 84 HA ASP 84 3.609 0.968 13.325 610 HB2 ASP 84 HB2 ASP 84 4.290 2.735 15.002 611 HB3 ASP 84 HB3 ASP 84 3.551 3.933 13.944 612 HA PRO 85 HA PRO 85 1.572 2.030 9.490 613 HB2 PRO 85 HB2 PRO 85 -0.396 0.232 9.610 614 HB3 PRO 85 HB3 PRO 85 1.289 -0.247 9.379 615 HG2 PRO 85 HG2 PRO 85 -0.345 -0.248 11.892 616 HG3 PRO 85 HG3 PRO 85 0.709 -1.522 11.246 617 HD2 PRO 85 HD2 PRO 85 1.508 0.214 13.178 618 HD3 PRO 85 HD3 PRO 85 2.621 -0.496 11.992 619 H THR 86 H THR 86 0.399 3.025 12.474 620 HA THR 86 HA THR 86 -1.938 4.178 11.125 621 HB THR 86 HB THR 86 -2.802 2.401 12.530 622 HG1 THR 86 HG1 THR 86 -3.407 5.052 13.008 623 HG21 THR 86 HG21 THR 86 -1.502 3.822 14.845 624 HG22 THR 86 HG22 THR 86 -1.092 2.223 14.218 625 HG23 THR 86 HG23 THR 86 -2.660 2.497 14.978 626 H ASP 87 H ASP 87 0.932 4.867 12.684 627 HA ASP 87 HA ASP 87 0.022 7.289 13.983 628 HB2 ASP 87 HB2 ASP 87 1.935 5.953 14.907 629 HB3 ASP 87 HB3 ASP 87 2.883 6.419 13.498 630 H ILE 88 H ILE 88 -0.890 8.468 12.413 631 HA ILE 88 HA ILE 88 0.791 10.093 10.792 632 HB ILE 88 HB ILE 88 0.674 8.051 9.377 633 HG12 ILE 88 HG12 ILE 88 -0.155 9.145 7.279 634 HG13 ILE 88 HG13 ILE 88 -0.765 10.467 8.267 635 HG21 ILE 88 HG21 ILE 88 -2.297 8.551 9.291 636 HG22 ILE 88 HG22 ILE 88 -1.483 7.180 10.047 637 HG23 ILE 88 HG23 ILE 88 -1.421 7.385 8.296 638 HD11 ILE 88 HD11 ILE 88 1.498 10.970 9.004 639 HD12 ILE 88 HD12 ILE 88 1.372 11.017 7.245 640 HD13 ILE 88 HD13 ILE 88 2.116 9.629 8.040 641 H LYS 89 H LYS 89 -0.274 11.976 10.203 642 HA LYS 89 HA LYS 89 -3.133 12.145 10.853 643 HB2 LYS 89 HB2 LYS 89 -1.635 13.165 12.620 644 HB3 LYS 89 HB3 LYS 89 -1.130 14.337 11.414 645 HG2 LYS 89 HG2 LYS 89 -3.415 15.147 11.218 646 HG3 LYS 89 HG3 LYS 89 -3.950 13.938 12.388 647 HD2 LYS 89 HD2 LYS 89 -2.361 14.952 14.031 648 HD3 LYS 89 HD3 LYS 89 -2.074 16.247 12.868 649 HE2 LYS 89 HE2 LYS 89 -3.709 17.018 14.426 650 HE3 LYS 89 HE3 LYS 89 -4.531 16.705 12.898 651 HZ1 LYS 89 HZ1 LYS 89 -4.494 14.883 15.242 652 HZ2 LYS 89 HZ2 LYS 89 -5.297 14.592 13.780 653 HZ3 LYS 89 HZ3 LYS 89 -5.792 15.866 14.778 654 H TYR 90 H TYR 90 -4.255 12.707 9.160 655 HA TYR 90 HA TYR 90 -2.937 14.074 6.924 656 HB2 TYR 90 HB2 TYR 90 -5.699 12.846 6.948 657 HB3 TYR 90 HB3 TYR 90 -4.768 13.349 5.546 658 HD1 TYR 90 HD2 TYR 90 -2.396 12.095 5.360 659 HD2 TYR 90 HD1 TYR 90 -5.831 10.631 7.390 660 HE1 TYR 90 HE2 TYR 90 -1.538 9.801 5.149 661 HE2 TYR 90 HE1 TYR 90 -4.983 8.336 7.187 662 HH TYR 90 HH TYR 90 -1.815 7.626 6.292 663 H LYS 91 H LYS 91 -3.464 16.126 6.393 664 HA LYS 91 HA LYS 91 -5.836 17.255 7.706 665 HB2 LYS 91 HB2 LYS 91 -4.491 19.473 6.835 666 HB3 LYS 91 HB3 LYS 91 -4.393 18.822 8.458 667 HG2 LYS 91 HG2 LYS 91 -2.173 19.231 7.862 668 HG3 LYS 91 HG3 LYS 91 -2.363 17.499 7.632 669 HD2 LYS 91 HD2 LYS 91 -1.074 18.450 5.808 670 HD3 LYS 91 HD3 LYS 91 -2.625 17.872 5.205 671 HE2 LYS 91 HE2 LYS 91 -3.462 20.016 4.928 672 HE3 LYS 91 HE3 LYS 91 -2.259 20.743 6.000 673 HZ1 LYS 91 HZ1 LYS 91 -1.844 21.233 3.664 674 HZ2 LYS 91 HZ2 LYS 91 -1.723 19.579 3.319 675 HZ3 LYS 91 HZ3 LYS 91 -0.577 20.320 4.324 676 H ASP 92 H ASP 92 -6.971 16.108 5.981 677 HA ASP 92 HA ASP 92 -7.625 17.941 3.848 678 HB2 ASP 92 HB2 ASP 92 -5.647 16.428 3.147 679 HB3 ASP 92 HB3 ASP 92 -6.778 15.092 3.235 680 H ASN 93 H ASN 93 -9.472 16.634 2.523 681 HA ASN 93 HA ASN 93 -11.233 15.413 4.515 682 HB2 ASN 93 HB2 ASN 93 -11.851 16.275 1.681 683 HB3 ASN 93 HB3 ASN 93 -13.024 15.734 2.875 684 HD21 ASN 93 HD21 ASN 93 -11.083 18.340 1.747 685 HD22 ASN 93 HD22 ASN 93 -11.709 19.550 2.813 686 H ASP 94 H ASP 94 -8.940 14.368 2.431 687 HA ASP 94 HA ASP 94 -10.330 11.819 1.921 688 HB2 ASP 94 HB2 ASP 94 -9.464 13.314 -0.090 689 HB3 ASP 94 HB3 ASP 94 -7.905 12.641 0.351 690 H GLY 95 H GLY 95 -7.046 13.171 2.222 691 HA2 GLY 95 HA2 GLY 95 -6.041 11.834 4.329 692 HA3 GLY 95 HA3 GLY 95 -6.020 10.612 3.067 693 H HIS 96 H HIS 96 -5.254 14.108 3.120 694 HA HIS 96 HA HIS 96 -2.724 13.444 1.794 695 HB2 HIS 96 HB2 HIS 96 -4.392 15.930 1.888 696 HB3 HIS 96 HB3 HIS 96 -2.674 16.058 1.521 697 HD1 HIS 96 HD1 HIS 96 -5.480 16.314 -0.327 698 HD2 HIS 96 HD2 HIS 96 -2.402 13.530 -0.536 699 HE1 HIS 96 HE1 HIS 96 -5.596 15.350 -2.644 700 HE2 HIS 96 HE2 HIS 96 -3.584 13.856 -2.811 701 H THR 97 H THR 97 -0.858 13.678 2.737 702 HA THR 97 HA THR 97 -0.856 14.675 5.497 703 HB THR 97 HB THR 97 -0.387 12.353 5.556 704 HG1 THR 97 HG1 THR 97 1.186 12.740 6.885 705 HG21 THR 97 HG21 THR 97 0.131 11.958 3.221 706 HG22 THR 97 HG22 THR 97 1.395 11.276 4.246 707 HG23 THR 97 HG23 THR 97 1.671 12.798 3.399 708 H ASP 98 H ASP 98 0.584 16.150 6.133 709 HA ASP 98 HA ASP 98 2.033 17.564 4.046 710 HB2 ASP 98 HB2 ASP 98 0.495 18.493 6.004 711 HB3 ASP 98 HB3 ASP 98 2.015 18.458 6.893 712 H ALA 99 H ALA 99 2.701 15.119 6.164 713 HA ALA 99 HA ALA 99 5.355 15.992 6.959 714 HB1 ALA 99 HB1 ALA 99 3.913 14.896 8.585 715 HB2 ALA 99 HB2 ALA 99 5.395 13.979 8.311 716 HB3 ALA 99 HB3 ALA 99 3.878 13.446 7.583 717 H ILE 100 H ILE 100 3.863 13.641 4.779 718 HA ILE 100 HA ILE 100 6.436 12.595 3.961 719 HB ILE 100 HB ILE 100 3.675 12.103 2.796 720 HG12 ILE 100 HG12 ILE 100 5.372 10.450 4.688 721 HG13 ILE 100 HG13 ILE 100 3.944 11.371 5.138 722 HG21 ILE 100 HG21 ILE 100 4.679 10.146 1.708 723 HG22 ILE 100 HG22 ILE 100 6.266 10.614 2.319 724 HG23 ILE 100 HG23 ILE 100 5.433 11.640 1.151 725 HD11 ILE 100 HD11 ILE 100 2.563 9.912 3.757 726 HD12 ILE 100 HD12 ILE 100 3.468 8.997 4.964 727 HD13 ILE 100 HD13 ILE 100 3.999 9.002 3.282 728 H SER 101 H SER 101 4.189 15.005 2.993 729 HA SER 101 HA SER 101 4.266 16.802 1.650 730 HB2 SER 101 HB2 SER 101 7.189 16.164 1.301 731 HB3 SER 101 HB3 SER 101 6.414 17.697 0.896 732 HG SER 101 HG SER 101 7.313 17.885 2.929 733 H GLY 102 H GLY 102 6.480 14.683 -0.144 734 HA2 GLY 102 HA2 GLY 102 5.532 15.586 -2.665 735 HA3 GLY 102 HA3 GLY 102 6.679 14.292 -2.392 736 H ALA 103 H ALA 103 4.158 13.317 -0.623 737 HA ALA 103 HA ALA 103 3.100 11.612 -2.692 738 HB1 ALA 103 HB1 ALA 103 3.487 10.706 -0.468 739 HB2 ALA 103 HB2 ALA 103 1.777 10.614 -0.895 740 HB3 ALA 103 HB3 ALA 103 2.344 11.862 0.215 741 H THR 104 H THR 104 1.936 12.731 -4.108 742 HA THR 104 HA THR 104 0.090 14.805 -3.296 743 HB THR 104 HB THR 104 -0.337 15.083 -5.721 744 HG1 THR 104 HG1 THR 104 1.604 13.002 -6.009 745 HG21 THR 104 HG21 THR 104 2.585 14.969 -4.975 746 HG22 THR 104 HG22 THR 104 1.486 16.314 -4.662 747 HG23 THR 104 HG23 THR 104 1.898 15.881 -6.321 748 H ILE 105 H ILE 105 -0.068 11.479 -3.778 749 HA ILE 105 HA ILE 105 -2.925 11.449 -4.328 750 HB ILE 105 HB ILE 105 -1.284 9.902 -5.455 751 HG12 ILE 105 HG12 ILE 105 -3.882 9.458 -4.834 752 HG13 ILE 105 HG13 ILE 105 -2.928 8.412 -5.866 753 HG21 ILE 105 HG21 ILE 105 -0.502 7.906 -4.254 754 HG22 ILE 105 HG22 ILE 105 -1.107 8.600 -2.750 755 HG23 ILE 105 HG23 ILE 105 0.188 9.408 -3.634 756 HD11 ILE 105 HD11 ILE 105 -4.260 7.140 -4.289 757 HD12 ILE 105 HD12 ILE 105 -3.499 7.975 -2.934 758 HD13 ILE 105 HD13 ILE 105 -2.540 6.910 -3.965 759 H LYS 106 H LYS 106 -4.411 10.389 -2.832 760 HA LYS 106 HA LYS 106 -4.011 10.939 -0.120 761 HB2 LYS 106 HB2 LYS 106 -6.055 9.579 0.310 762 HB3 LYS 106 HB3 LYS 106 -6.256 10.846 -0.882 763 HG2 LYS 106 HG2 LYS 106 -5.719 8.036 -1.766 764 HG3 LYS 106 HG3 LYS 106 -7.336 8.514 -1.250 765 HD2 LYS 106 HD2 LYS 106 -7.238 10.366 -2.927 766 HD3 LYS 106 HD3 LYS 106 -5.714 9.692 -3.506 767 HE2 LYS 106 HE2 LYS 106 -7.382 8.872 -4.961 768 HE3 LYS 106 HE3 LYS 106 -6.977 7.530 -3.889 769 HZ1 LYS 106 HZ1 LYS 106 -9.332 9.324 -3.645 770 HZ2 LYS 106 HZ2 LYS 106 -8.930 8.107 -2.543 771 HZ3 LYS 106 HZ3 LYS 106 -9.354 7.702 -4.132 772 H VAL 107 H VAL 107 -2.817 10.079 1.255 773 HA VAL 107 HA VAL 107 -1.539 7.510 0.913 774 HB VAL 107 HB VAL 107 -1.206 9.750 2.939 775 HG11 VAL 107 HG11 VAL 107 -0.476 7.629 3.947 776 HG12 VAL 107 HG12 VAL 107 0.871 8.728 3.640 777 HG13 VAL 107 HG13 VAL 107 0.584 7.360 2.564 778 HG21 VAL 107 HG21 VAL 107 0.500 8.858 0.640 779 HG22 VAL 107 HG22 VAL 107 0.856 10.188 1.743 780 HG23 VAL 107 HG23 VAL 107 -0.540 10.284 0.666 781 H LYS 108 H LYS 108 -4.410 8.516 2.194 782 HA LYS 108 HA LYS 108 -4.669 7.220 4.655 783 HB2 LYS 108 HB2 LYS 108 -6.301 8.855 3.590 784 HB3 LYS 108 HB3 LYS 108 -6.906 7.491 2.655 785 HG2 LYS 108 HG2 LYS 108 -7.225 6.318 4.901 786 HG3 LYS 108 HG3 LYS 108 -7.003 7.912 5.620 787 HD2 LYS 108 HD2 LYS 108 -8.884 8.764 4.344 788 HD3 LYS 108 HD3 LYS 108 -9.095 7.184 3.582 789 HE2 LYS 108 HE2 LYS 108 -9.319 7.766 6.532 790 HE3 LYS 108 HE3 LYS 108 -10.672 7.524 5.429 791 HZ1 LYS 108 HZ1 LYS 108 -8.587 5.495 6.043 792 HZ2 LYS 108 HZ2 LYS 108 -9.926 5.271 5.039 793 HZ3 LYS 108 HZ3 LYS 108 -10.147 5.519 6.699 794 H LYS 109 H LYS 109 -4.968 5.993 1.364 795 HA LYS 109 HA LYS 109 -6.005 3.441 2.021 796 HB2 LYS 109 HB2 LYS 109 -6.258 4.378 -0.193 797 HB3 LYS 109 HB3 LYS 109 -4.520 4.460 -0.403 798 HG2 LYS 109 HG2 LYS 109 -4.348 2.079 -0.536 799 HG3 LYS 109 HG3 LYS 109 -6.041 1.871 -0.089 800 HD2 LYS 109 HD2 LYS 109 -5.759 1.584 -2.494 801 HD3 LYS 109 HD3 LYS 109 -6.700 3.041 -2.169 802 HE2 LYS 109 HE2 LYS 109 -4.662 4.384 -2.441 803 HE3 LYS 109 HE3 LYS 109 -3.764 2.917 -2.805 804 HZ1 LYS 109 HZ1 LYS 109 -4.438 4.203 -4.779 805 HZ2 LYS 109 HZ2 LYS 109 -6.065 3.884 -4.404 806 HZ3 LYS 109 HZ3 LYS 109 -5.005 2.607 -4.780 807 H PHE 110 H PHE 110 -2.670 4.666 1.648 808 HA PHE 110 HA PHE 110 -1.361 2.178 1.701 809 HB2 PHE 110 HB2 PHE 110 -0.147 4.149 1.011 810 HB3 PHE 110 HB3 PHE 110 -0.393 4.910 2.580 811 HD1 PHE 110 HD1 PHE 110 1.403 2.196 0.821 812 HD2 PHE 110 HD2 PHE 110 1.041 4.478 4.388 813 HE1 PHE 110 HE1 PHE 110 3.523 1.241 1.650 814 HE2 PHE 110 HE2 PHE 110 3.146 3.533 5.223 815 HZ PHE 110 HZ PHE 110 4.382 1.907 3.869 816 H PHE 111 H PHE 111 -1.961 4.458 4.377 817 HA PHE 111 HA PHE 111 -0.845 2.696 6.319 818 HB2 PHE 111 HB2 PHE 111 -2.332 5.289 6.494 819 HB3 PHE 111 HB3 PHE 111 -2.018 4.348 7.950 820 HD1 PHE 111 HD1 PHE 111 0.250 4.069 8.785 821 HD2 PHE 111 HD2 PHE 111 -0.508 6.386 5.305 822 HE1 PHE 111 HE1 PHE 111 2.495 5.053 8.957 823 HE2 PHE 111 HE2 PHE 111 1.742 7.368 5.470 824 HZ PHE 111 HZ PHE 111 3.245 6.706 7.299 825 H ASP 112 H ASP 112 -4.065 3.143 5.064 826 HA ASP 112 HA ASP 112 -5.598 1.790 7.023 827 HB2 ASP 112 HB2 ASP 112 -6.209 3.064 4.737 828 HB3 ASP 112 HB3 ASP 112 -6.207 1.424 4.128 829 H LEU 113 H LEU 113 -3.890 0.767 4.156 830 HA LEU 113 HA LEU 113 -4.710 -1.960 4.275 831 HB2 LEU 113 HB2 LEU 113 -3.169 -0.221 2.481 832 HB3 LEU 113 HB3 LEU 113 -2.695 -1.891 2.480 833 HG LEU 113 HG LEU 113 -4.248 -1.526 0.700 834 HD11 LEU 113 HD11 LEU 113 -4.244 -3.623 1.865 835 HD12 LEU 113 HD12 LEU 113 -5.872 -3.210 1.323 836 HD13 LEU 113 HD13 LEU 113 -5.426 -3.005 3.018 837 HD21 LEU 113 HD21 LEU 113 -6.202 -0.625 2.819 838 HD22 LEU 113 HD22 LEU 113 -6.571 -0.894 1.116 839 HD23 LEU 113 HD23 LEU 113 -5.475 0.405 1.587 840 H ALA 114 H ALA 114 -1.843 -0.162 5.191 841 HA ALA 114 HA ALA 114 -0.223 -2.349 5.886 842 HB1 ALA 114 HB1 ALA 114 1.052 -0.742 7.184 843 HB2 ALA 114 HB2 ALA 114 -0.273 0.415 7.074 844 HB3 ALA 114 HB3 ALA 114 0.598 -0.066 5.619 845 H GLN 115 H GLN 115 -2.796 -0.692 7.616 846 HA GLN 115 HA GLN 115 -2.418 -2.025 10.129 847 HB2 GLN 115 HB2 GLN 115 -4.698 -0.474 8.933 848 HB3 GLN 115 HB3 GLN 115 -4.838 -1.255 10.501 849 HG2 GLN 115 HG2 GLN 115 -3.082 0.085 11.397 850 HG3 GLN 115 HG3 GLN 115 -2.715 0.753 9.810 851 HE21 GLN 115 HE21 GLN 115 -3.973 2.365 8.978 852 HE22 GLN 115 HE22 GLN 115 -5.189 3.188 9.895 853 H LYS 116 H LYS 116 -4.231 -2.671 7.204 854 HA LYS 116 HA LYS 116 -5.739 -4.879 8.212 855 HB2 LYS 116 HB2 LYS 116 -5.193 -3.740 5.493 856 HB3 LYS 116 HB3 LYS 116 -6.035 -5.272 5.672 857 HG2 LYS 116 HG2 LYS 116 -7.865 -4.286 6.722 858 HG3 LYS 116 HG3 LYS 116 -6.970 -2.819 7.116 859 HD2 LYS 116 HD2 LYS 116 -8.592 -2.471 5.302 860 HD3 LYS 116 HD3 LYS 116 -6.938 -2.173 4.781 861 HE2 LYS 116 HE2 LYS 116 -8.115 -3.372 3.056 862 HE3 LYS 116 HE3 LYS 116 -6.888 -4.419 3.756 863 HZ1 LYS 116 HZ1 LYS 116 -8.654 -5.460 5.085 864 HZ2 LYS 116 HZ2 LYS 116 -8.894 -5.636 3.419 865 HZ3 LYS 116 HZ3 LYS 116 -9.802 -4.501 4.286 866 H ALA 117 H ALA 117 -2.576 -4.482 6.801 867 HA ALA 117 HA ALA 117 -2.149 -7.199 6.081 868 HB1 ALA 117 HB1 ALA 117 -0.100 -5.085 6.688 869 HB2 ALA 117 HB2 ALA 117 -0.889 -5.316 5.127 870 HB3 ALA 117 HB3 ALA 117 0.155 -6.580 5.781 871 H LEU 118 H LEU 118 -1.607 -5.328 8.980 872 HA LEU 118 HA LEU 118 -0.369 -7.651 10.283 873 HB2 LEU 118 HB2 LEU 118 -0.418 -4.735 11.039 874 HB3 LEU 118 HB3 LEU 118 0.395 -5.997 11.950 875 HG LEU 118 HG LEU 118 1.124 -5.758 9.093 876 HD11 LEU 118 HD11 LEU 118 1.948 -3.747 11.166 877 HD12 LEU 118 HD12 LEU 118 0.947 -3.449 9.742 878 HD13 LEU 118 HD13 LEU 118 2.643 -3.908 9.550 879 HD21 LEU 118 HD21 LEU 118 2.154 -7.426 10.537 880 HD22 LEU 118 HD22 LEU 118 2.684 -6.157 11.643 881 HD23 LEU 118 HD23 LEU 118 3.343 -6.235 10.009 882 H LYS 119 H LYS 119 -3.315 -6.951 9.796 883 HA LYS 119 HA LYS 119 -4.516 -6.480 12.328 884 HB2 LYS 119 HB2 LYS 119 -6.590 -6.787 11.253 885 HB3 LYS 119 HB3 LYS 119 -5.537 -6.146 10.001 886 HG2 LYS 119 HG2 LYS 119 -5.243 -8.408 9.095 887 HG3 LYS 119 HG3 LYS 119 -6.311 -9.041 10.345 888 HD2 LYS 119 HD2 LYS 119 -7.063 -7.061 8.200 889 HD3 LYS 119 HD3 LYS 119 -7.465 -8.776 8.208 890 HE2 LYS 119 HE2 LYS 119 -8.725 -8.403 10.323 891 HE3 LYS 119 HE3 LYS 119 -8.415 -6.674 10.149 892 HZ1 LYS 119 HZ1 LYS 119 -9.965 -8.411 8.314 893 HZ2 LYS 119 HZ2 LYS 119 -9.542 -6.811 7.955 894 HZ3 LYS 119 HZ3 LYS 119 -10.558 -7.144 9.267 895 H ASP 120 H ASP 120 -3.348 -9.304 10.755 896 HA ASP 120 HA ASP 120 -4.677 -11.077 12.669 897 HB2 ASP 120 HB2 ASP 120 -5.224 -11.470 10.340 898 HB3 ASP 120 HB3 ASP 120 -3.524 -11.523 9.905 899 H ALA 121 H ALA 121 -1.629 -10.011 11.406 900 HA ALA 121 HA ALA 121 0.553 -10.438 11.725 901 HB1 ALA 121 HB1 ALA 121 -0.269 -11.226 14.508 902 HB2 ALA 121 HB2 ALA 121 -0.009 -9.578 13.933 903 HB3 ALA 121 HB3 ALA 121 1.340 -10.719 13.977 904 H GLU 122 H GLU 122 -1.314 -12.940 11.177 905 HA GLU 122 HA GLU 122 0.875 -14.891 11.499 906 HB2 GLU 122 HB2 GLU 122 -2.067 -15.501 11.101 907 HB3 GLU 122 HB3 GLU 122 -0.791 -16.656 11.442 908 HG2 GLU 122 HG2 GLU 122 -1.703 -14.506 13.342 909 HG3 GLU 122 HG3 GLU 122 -2.261 -16.175 13.367 910 H LYS 123 H LYS 123 -0.258 -12.824 9.371 911 HA LYS 123 HA LYS 123 -0.860 -14.457 7.089 912 HB2 LYS 123 HB2 LYS 123 -0.346 -11.478 7.231 913 HB3 LYS 123 HB3 LYS 123 -1.046 -12.344 5.871 914 HG2 LYS 123 HG2 LYS 123 -2.979 -12.939 7.217 915 HG3 LYS 123 HG3 LYS 123 -2.271 -12.131 8.614 916 HD2 LYS 123 HD2 LYS 123 -3.904 -10.674 7.644 917 HD3 LYS 123 HD3 LYS 123 -2.308 -10.000 7.321 918 HE2 LYS 123 HE2 LYS 123 -3.780 -9.848 5.371 919 HE3 LYS 123 HE3 LYS 123 -2.379 -10.867 5.051 920 HZ1 LYS 123 HZ1 LYS 123 -5.102 -11.846 5.733 921 HZ2 LYS 123 HZ2 LYS 123 -3.755 -12.817 5.398 922 HZ3 LYS 123 HZ3 LYS 123 -4.416 -11.841 4.184 923 H LEU 124 H LEU 124 0.976 -15.711 6.778 924 HA LEU 124 HA LEU 124 3.411 -14.306 5.955 925 HB2 LEU 124 HB2 LEU 124 2.998 -16.597 7.494 926 HB3 LEU 124 HB3 LEU 124 3.547 -17.213 5.950 927 HG LEU 124 HG LEU 124 5.042 -15.241 7.696 928 HD11 LEU 124 HD11 LEU 124 6.613 -17.108 7.986 929 HD12 LEU 124 HD12 LEU 124 5.516 -18.152 7.083 930 HD13 LEU 124 HD13 LEU 124 5.011 -17.473 8.631 931 HD21 LEU 124 HD21 LEU 124 6.894 -15.540 6.134 932 HD22 LEU 124 HD22 LEU 124 5.487 -14.860 5.312 933 HD23 LEU 124 HD23 LEU 124 5.884 -16.568 5.117 934 H GLU 125 H GLU 125 2.333 -13.600 4.025 935 HA GLU 125 HA GLU 125 1.637 -15.559 2.023 936 HB2 GLU 125 HB2 GLU 125 1.645 -12.569 2.144 937 HB3 GLU 125 HB3 GLU 125 1.651 -13.346 0.570 938 HG2 GLU 125 HG2 GLU 125 -0.592 -12.866 1.073 939 HG3 GLU 125 HG3 GLU 125 -0.394 -14.602 1.294 940 H HIS 126 H HIS 126 4.066 -12.991 2.296 941 HA HIS 126 HA HIS 126 5.831 -14.593 0.565 942 HB2 HIS 126 HB2 HIS 126 5.289 -11.636 0.575 943 HB3 HIS 126 HB3 HIS 126 6.841 -12.242 0.015 944 HD1 HIS 126 HD1 HIS 126 5.186 -10.737 -1.971 945 HD2 HIS 126 HD2 HIS 126 4.827 -14.846 -1.439 946 HE1 HIS 126 HE1 HIS 126 4.264 -11.624 -4.137 947 HE2 HIS 126 HE2 HIS 126 4.171 -14.121 -3.834 948 H HIS 127 H HIS 127 8.160 -13.997 0.848 949 HA HIS 127 HA HIS 127 8.767 -12.568 3.325 950 HB2 HIS 127 HB2 HIS 127 9.075 -15.168 3.504 951 HB3 HIS 127 HB3 HIS 127 10.511 -14.891 2.523 952 HD1 HIS 127 HD1 HIS 127 12.574 -14.373 3.802 953 HD2 HIS 127 HD2 HIS 127 9.141 -13.512 5.979 954 HE1 HIS 127 HE1 HIS 127 13.374 -13.707 6.094 955 HE2 HIS 127 HE2 HIS 127 11.268 -13.461 7.453 956 H HIS 128 H HIS 128 8.552 -11.255 1.221 957 HA HIS 128 HA HIS 128 10.884 -11.305 -0.518 958 HB2 HIS 128 HB2 HIS 128 8.604 -11.210 -1.490 959 HB3 HIS 128 HB3 HIS 128 8.314 -9.694 -0.652 960 HD1 HIS 128 HD1 HIS 128 10.148 -11.149 -3.580 961 HD2 HIS 128 HD2 HIS 128 9.409 -7.429 -1.875 962 HE1 HIS 128 HE1 HIS 128 10.857 -9.458 -5.298 963 HE2 HIS 128 HE2 HIS 128 10.540 -7.225 -4.197 964 H HIS 129 H HIS 129 12.588 -10.136 0.065 965 HA HIS 129 HA HIS 129 12.182 -7.777 1.706 966 HB2 HIS 129 HB2 HIS 129 14.601 -7.708 2.043 967 HB3 HIS 129 HB3 HIS 129 13.942 -9.275 2.466 968 HD1 HIS 129 HD1 HIS 129 16.226 -7.566 0.056 969 HD2 HIS 129 HD2 HIS 129 14.969 -11.414 0.991 970 HE1 HIS 129 HE1 HIS 129 17.822 -9.105 -1.130 971 HE2 HIS 129 HE2 HIS 129 17.142 -11.423 -0.420 972 H HIS 130 H HIS 130 12.416 -5.754 1.092 973 HA HIS 130 HA HIS 130 13.298 -5.185 -1.657 974 HB2 HIS 130 HB2 HIS 130 10.774 -5.374 -1.476 975 HB3 HIS 130 HB3 HIS 130 10.811 -4.005 -0.374 976 HD1 HIS 130 HD1 HIS 130 10.981 -1.692 -1.393 977 HD2 HIS 130 HD2 HIS 130 11.393 -4.741 -4.185 978 HE1 HIS 130 HE1 HIS 130 10.825 -0.576 -3.640 979 HE2 HIS 130 HE2 HIS 130 11.297 -2.403 -5.296 980 H HIS 131 H HIS 131 14.591 -3.389 -1.781 981 HA HIS 131 HA HIS 131 14.575 -1.477 0.427 982 HB2 HIS 131 HB2 HIS 131 16.981 -1.562 0.788 983 HB3 HIS 131 HB3 HIS 131 16.271 -3.135 1.083 984 HD1 HIS 131 HD1 HIS 131 19.226 -1.849 -0.157 985 HD2 HIS 131 HD2 HIS 131 16.579 -4.690 -1.652 986 HE1 HIS 131 HE1 HIS 131 20.561 -3.248 -1.766 987 HE2 HIS 131 HE2 HIS 131 18.973 -5.020 -2.569 Start of MODEL 9 1 H1 MET 1 H1 MET 1 3.578 -10.250 16.797 2 H2 MET 1 H2 MET 1 3.199 -8.600 16.810 3 H3 MET 1 H3 MET 1 4.723 -9.122 17.332 4 HA MET 1 HA MET 1 3.655 -9.351 14.588 5 HB2 MET 1 HB2 MET 1 5.709 -7.503 15.814 6 HB3 MET 1 HB3 MET 1 5.553 -7.744 14.078 7 HG2 MET 1 HG2 MET 1 3.371 -6.814 14.059 8 HG3 MET 1 HG3 MET 1 3.282 -6.826 15.818 9 HE1 MET 1 HE1 MET 1 5.882 -3.893 13.350 10 HE2 MET 1 HE2 MET 1 4.794 -5.085 12.640 11 HE3 MET 1 HE3 MET 1 6.273 -5.611 13.447 12 H LYS 2 H LYS 2 4.178 -11.364 14.114 13 HA LYS 2 HA LYS 2 6.710 -12.573 14.811 14 HB2 LYS 2 HB2 LYS 2 4.515 -13.510 12.948 15 HB3 LYS 2 HB3 LYS 2 5.889 -14.475 13.460 16 HG2 LYS 2 HG2 LYS 2 5.101 -14.411 15.754 17 HG3 LYS 2 HG3 LYS 2 3.732 -13.407 15.268 18 HD2 LYS 2 HD2 LYS 2 2.936 -15.207 13.813 19 HD3 LYS 2 HD3 LYS 2 4.309 -16.205 14.294 20 HE2 LYS 2 HE2 LYS 2 2.218 -15.143 16.191 21 HE3 LYS 2 HE3 LYS 2 2.196 -16.758 15.485 22 HZ1 LYS 2 HZ1 LYS 2 4.390 -15.687 17.180 23 HZ2 LYS 2 HZ2 LYS 2 4.252 -17.269 16.589 24 HZ3 LYS 2 HZ3 LYS 2 3.147 -16.693 17.737 25 H ASP 3 H ASP 3 8.381 -13.093 13.314 26 HA ASP 3 HA ASP 3 8.620 -11.281 11.130 27 HB2 ASP 3 HB2 ASP 3 10.781 -12.407 10.665 28 HB3 ASP 3 HB3 ASP 3 10.628 -11.834 12.317 29 H GLY 4 H GLY 4 7.171 -11.518 9.652 30 HA2 GLY 4 HA2 GLY 4 7.495 -13.669 7.739 31 HA3 GLY 4 HA3 GLY 4 5.897 -13.538 8.472 32 H THR 5 H THR 5 5.157 -13.015 6.228 33 HA THR 5 HA THR 5 5.488 -10.129 5.859 34 HB THR 5 HB THR 5 5.233 -11.930 3.460 35 HG1 THR 5 HG1 THR 5 7.447 -11.456 5.038 36 HG21 THR 5 HG21 THR 5 6.196 -9.094 3.861 37 HG22 THR 5 HG22 THR 5 4.629 -9.571 3.207 38 HG23 THR 5 HG23 THR 5 6.107 -9.940 2.316 39 H TYR 6 H TYR 6 3.700 -9.218 6.216 40 HA TYR 6 HA TYR 6 1.136 -10.600 5.920 41 HB2 TYR 6 HB2 TYR 6 1.485 -7.758 6.842 42 HB3 TYR 6 HB3 TYR 6 0.253 -8.908 7.315 43 HD1 TYR 6 HD1 TYR 6 1.561 -11.140 8.466 44 HD2 TYR 6 HD2 TYR 6 2.726 -7.071 8.557 45 HE1 TYR 6 HE1 TYR 6 2.766 -11.535 10.569 46 HE2 TYR 6 HE2 TYR 6 3.919 -7.456 10.645 47 HH TYR 6 HH TYR 6 4.692 -10.415 11.843 48 H TYR 7 H TYR 7 -0.457 -9.851 4.575 49 HA TYR 7 HA TYR 7 0.117 -7.518 2.951 50 HB2 TYR 7 HB2 TYR 7 0.695 -8.763 1.170 51 HB3 TYR 7 HB3 TYR 7 0.327 -10.245 2.029 52 HD1 TYR 7 HD2 TYR 7 -2.008 -11.154 1.900 53 HD2 TYR 7 HD1 TYR 7 -0.639 -8.014 -0.607 54 HE1 TYR 7 HE2 TYR 7 -3.837 -11.639 0.311 55 HE2 TYR 7 HE1 TYR 7 -2.448 -8.487 -2.204 56 HH TYR 7 HH TYR 7 -5.116 -10.404 -1.463 57 H ALA 8 H ALA 8 -1.728 -6.369 2.404 58 HA ALA 8 HA ALA 8 -4.296 -7.683 2.888 59 HB1 ALA 8 HB1 ALA 8 -5.209 -5.658 3.876 60 HB2 ALA 8 HB2 ALA 8 -3.632 -4.880 3.755 61 HB3 ALA 8 HB3 ALA 8 -3.851 -6.262 4.827 62 H GLU 9 H GLU 9 -5.911 -7.042 1.564 63 HA GLU 9 HA GLU 9 -5.085 -5.436 -0.747 64 HB2 GLU 9 HB2 GLU 9 -6.731 -6.780 -2.016 65 HB3 GLU 9 HB3 GLU 9 -5.468 -7.772 -1.307 66 HG2 GLU 9 HG2 GLU 9 -7.090 -8.202 0.593 67 HG3 GLU 9 HG3 GLU 9 -8.319 -7.495 -0.453 68 H ALA 10 H ALA 10 -6.498 -3.876 -1.492 69 HA ALA 10 HA ALA 10 -7.902 -2.424 0.421 70 HB1 ALA 10 HB1 ALA 10 -8.111 -2.205 -2.588 71 HB2 ALA 10 HB2 ALA 10 -6.928 -1.392 -1.560 72 HB3 ALA 10 HB3 ALA 10 -8.639 -0.986 -1.425 73 H ASP 11 H ASP 11 -10.129 -1.942 0.676 74 HA ASP 11 HA ASP 11 -11.679 -4.291 0.877 75 HB2 ASP 11 HB2 ASP 11 -11.772 -2.236 2.353 76 HB3 ASP 11 HB3 ASP 11 -12.724 -1.468 1.087 77 H ASP 12 H ASP 12 -11.911 -1.520 -1.310 78 HA ASP 12 HA ASP 12 -13.528 -3.195 -3.123 79 HB2 ASP 12 HB2 ASP 12 -13.408 -0.169 -2.929 80 HB3 ASP 12 HB3 ASP 12 -14.295 -1.060 -4.159 81 H PHE 13 H PHE 13 -13.146 -1.860 -5.476 82 HA PHE 13 HA PHE 13 -10.243 -1.891 -5.928 83 HB2 PHE 13 HB2 PHE 13 -12.583 -1.921 -7.848 84 HB3 PHE 13 HB3 PHE 13 -10.918 -1.721 -8.374 85 HD1 PHE 13 HD2 PHE 13 -13.386 -4.067 -7.011 86 HD2 PHE 13 HD1 PHE 13 -9.378 -3.565 -8.349 87 HE1 PHE 13 HE2 PHE 13 -13.115 -6.509 -7.116 88 HE2 PHE 13 HE1 PHE 13 -9.100 -6.004 -8.454 89 HZ PHE 13 HZ PHE 13 -10.966 -7.479 -7.835 90 H ASP 14 H ASP 14 -9.233 -0.080 -7.019 91 HA ASP 14 HA ASP 14 -10.487 2.453 -6.338 92 HB2 ASP 14 HB2 ASP 14 -7.944 1.758 -6.087 93 HB3 ASP 14 HB3 ASP 14 -7.852 2.272 -7.768 94 H GLU 15 H GLU 15 -9.542 4.125 -8.358 95 HA GLU 15 HA GLU 15 -11.762 3.986 -10.079 96 HB2 GLU 15 HB2 GLU 15 -9.284 5.699 -10.209 97 HB3 GLU 15 HB3 GLU 15 -10.716 5.945 -11.195 98 HG2 GLU 15 HG2 GLU 15 -10.640 6.060 -8.188 99 HG3 GLU 15 HG3 GLU 15 -10.617 7.453 -9.269 100 H SER 16 H SER 16 -8.336 3.281 -10.690 101 HA SER 16 HA SER 16 -8.772 2.773 -13.489 102 HB2 SER 16 HB2 SER 16 -6.318 1.925 -13.208 103 HB3 SER 16 HB3 SER 16 -6.674 3.650 -13.097 104 HG SER 16 HG SER 16 -5.369 2.444 -11.323 105 H GLY 17 H GLY 17 -9.574 0.965 -10.862 106 HA2 GLY 17 HA2 GLY 17 -10.589 -1.126 -10.962 107 HA3 GLY 17 HA3 GLY 17 -9.828 -1.400 -12.520 108 H TRP 18 H TRP 18 -8.012 -0.418 -9.714 109 HA TRP 18 HA TRP 18 -6.851 -3.120 -9.585 110 HB2 TRP 18 HB2 TRP 18 -5.509 -0.469 -9.041 111 HB3 TRP 18 HB3 TRP 18 -4.771 -2.038 -8.784 112 HD1 TRP 18 HD1 TRP 18 -5.969 0.226 -11.679 113 HE1 TRP 18 HE1 TRP 18 -4.557 -0.324 -13.758 114 HE3 TRP 18 HE3 TRP 18 -3.343 -3.751 -9.853 115 HZ2 TRP 18 HZ2 TRP 18 -2.596 -2.188 -14.521 116 HZ3 TRP 18 HZ3 TRP 18 -1.720 -4.857 -11.321 117 HH2 TRP 18 HH2 TRP 18 -1.355 -4.095 -13.606 118 H LYS 19 H LYS 19 -6.777 -4.084 -7.675 119 HA LYS 19 HA LYS 19 -7.864 -2.736 -5.331 120 HB2 LYS 19 HB2 LYS 19 -8.643 -5.011 -5.995 121 HB3 LYS 19 HB3 LYS 19 -7.021 -5.624 -5.719 122 HG2 LYS 19 HG2 LYS 19 -7.199 -5.073 -3.361 123 HG3 LYS 19 HG3 LYS 19 -8.815 -4.413 -3.630 124 HD2 LYS 19 HD2 LYS 19 -8.113 -7.239 -4.368 125 HD3 LYS 19 HD3 LYS 19 -8.638 -6.809 -2.742 126 HE2 LYS 19 HE2 LYS 19 -10.237 -6.108 -5.190 127 HE3 LYS 19 HE3 LYS 19 -10.418 -7.647 -4.345 128 HZ1 LYS 19 HZ1 LYS 19 -12.033 -5.993 -3.607 129 HZ2 LYS 19 HZ2 LYS 19 -10.770 -4.974 -3.105 130 HZ3 LYS 19 HZ3 LYS 19 -11.002 -6.469 -2.349 131 H ASP 20 H ASP 20 -6.369 -1.484 -4.397 132 HA ASP 20 HA ASP 20 -3.580 -1.888 -4.681 133 HB2 ASP 20 HB2 ASP 20 -5.186 -0.051 -2.925 134 HB3 ASP 20 HB3 ASP 20 -3.423 -0.024 -2.989 135 H THR 21 H THR 21 -2.137 -2.840 -3.457 136 HA THR 21 HA THR 21 -3.083 -4.037 -0.946 137 HB THR 21 HB THR 21 -1.707 -6.027 -1.393 138 HG1 THR 21 HG1 THR 21 -0.715 -4.485 -3.372 139 HG21 THR 21 HG21 THR 21 -3.591 -5.412 -3.665 140 HG22 THR 21 HG22 THR 21 -4.034 -6.090 -2.098 141 HG23 THR 21 HG23 THR 21 -3.020 -7.016 -3.206 142 H VAL 22 H VAL 22 -1.790 -3.872 0.758 143 HA VAL 22 HA VAL 22 0.851 -2.631 0.371 144 HB VAL 22 HB VAL 22 -1.023 -2.251 2.733 145 HG11 VAL 22 HG11 VAL 22 1.694 -1.048 2.205 146 HG12 VAL 22 HG12 VAL 22 1.337 -2.288 3.407 147 HG13 VAL 22 HG13 VAL 22 0.641 -0.674 3.570 148 HG21 VAL 22 HG21 VAL 22 -1.708 -0.987 0.747 149 HG22 VAL 22 HG22 VAL 22 -0.090 -0.293 0.630 150 HG23 VAL 22 HG23 VAL 22 -1.114 0.087 2.015 151 H THR 23 H THR 23 2.347 -4.039 0.656 152 HA THR 23 HA THR 23 1.841 -6.381 2.340 153 HB THR 23 HB THR 23 3.971 -6.020 0.221 154 HG1 THR 23 HG1 THR 23 1.431 -6.096 -0.220 155 HG21 THR 23 HG21 THR 23 4.378 -7.807 1.858 156 HG22 THR 23 HG22 THR 23 4.053 -8.456 0.248 157 HG23 THR 23 HG23 THR 23 2.796 -8.493 1.486 158 H ILE 24 H ILE 24 2.684 -6.266 4.300 159 HA ILE 24 HA ILE 24 4.931 -4.480 4.846 160 HB ILE 24 HB ILE 24 3.068 -5.902 6.766 161 HG12 ILE 24 HG12 ILE 24 1.909 -4.252 5.336 162 HG13 ILE 24 HG13 ILE 24 1.908 -3.786 7.037 163 HG21 ILE 24 HG21 ILE 24 3.930 -4.351 8.463 164 HG22 ILE 24 HG22 ILE 24 5.079 -3.713 7.287 165 HG23 ILE 24 HG23 ILE 24 5.195 -5.393 7.811 166 HD11 ILE 24 HD11 ILE 24 3.707 -2.666 4.893 167 HD12 ILE 24 HD12 ILE 24 3.702 -2.180 6.589 168 HD13 ILE 24 HD13 ILE 24 2.288 -1.874 5.578 169 H GLU 25 H GLU 25 6.903 -5.414 4.809 170 HA GLU 25 HA GLU 25 7.125 -8.244 5.493 171 HB2 GLU 25 HB2 GLU 25 8.253 -7.667 3.441 172 HB3 GLU 25 HB3 GLU 25 9.132 -6.366 4.230 173 HG2 GLU 25 HG2 GLU 25 10.491 -7.847 5.416 174 HG3 GLU 25 HG3 GLU 25 9.440 -9.221 5.092 175 H VAL 26 H VAL 26 7.271 -8.631 7.507 176 HA VAL 26 HA VAL 26 8.901 -6.942 9.248 177 HB VAL 26 HB VAL 26 6.667 -8.899 9.820 178 HG11 VAL 26 HG11 VAL 26 6.970 -8.503 12.203 179 HG12 VAL 26 HG12 VAL 26 8.442 -7.585 11.871 180 HG13 VAL 26 HG13 VAL 26 8.379 -9.311 11.514 181 HG21 VAL 26 HG21 VAL 26 7.094 -5.988 10.464 182 HG22 VAL 26 HG22 VAL 26 5.669 -6.939 10.888 183 HG23 VAL 26 HG23 VAL 26 6.056 -6.634 9.194 184 H LYS 27 H LYS 27 10.820 -7.565 9.727 185 HA LYS 27 HA LYS 27 11.532 -10.404 9.770 186 HB2 LYS 27 HB2 LYS 27 12.117 -9.183 7.571 187 HB3 LYS 27 HB3 LYS 27 13.278 -8.287 8.531 188 HG2 LYS 27 HG2 LYS 27 14.397 -10.388 9.111 189 HG3 LYS 27 HG3 LYS 27 13.257 -11.259 8.075 190 HD2 LYS 27 HD2 LYS 27 15.327 -9.222 7.257 191 HD3 LYS 27 HD3 LYS 27 15.251 -10.920 6.804 192 HE2 LYS 27 HE2 LYS 27 13.232 -8.826 5.992 193 HE3 LYS 27 HE3 LYS 27 14.575 -9.357 4.985 194 HZ1 LYS 27 HZ1 LYS 27 12.383 -11.118 5.963 195 HZ2 LYS 27 HZ2 LYS 27 13.633 -11.562 4.909 196 HZ3 LYS 27 HZ3 LYS 27 12.461 -10.440 4.410 197 H ASN 28 H ASN 28 12.882 -10.864 11.436 198 HA ASN 28 HA ASN 28 13.972 -10.689 13.411 199 HB2 ASN 28 HB2 ASN 28 14.652 -7.853 12.544 200 HB3 ASN 28 HB3 ASN 28 15.360 -8.693 13.914 201 HD21 ASN 28 HD21 ASN 28 15.377 -8.239 10.519 202 HD22 ASN 28 HD22 ASN 28 16.744 -9.234 10.162 203 H GLY 29 H GLY 29 11.136 -9.963 13.127 204 HA2 GLY 29 HA2 GLY 29 9.535 -9.504 14.747 205 HA3 GLY 29 HA3 GLY 29 10.772 -8.731 15.717 206 H LYS 30 H LYS 30 11.289 -7.142 12.989 207 HA LYS 30 HA LYS 30 9.217 -5.128 13.585 208 HB2 LYS 30 HB2 LYS 30 10.950 -3.389 13.355 209 HB3 LYS 30 HB3 LYS 30 11.283 -4.486 14.686 210 HG2 LYS 30 HG2 LYS 30 12.898 -5.685 13.262 211 HG3 LYS 30 HG3 LYS 30 12.591 -4.522 11.972 212 HD2 LYS 30 HD2 LYS 30 14.594 -3.873 13.105 213 HD3 LYS 30 HD3 LYS 30 13.329 -2.716 13.519 214 HE2 LYS 30 HE2 LYS 30 12.971 -3.852 15.646 215 HE3 LYS 30 HE3 LYS 30 14.201 -5.046 15.226 216 HZ1 LYS 30 HZ1 LYS 30 15.832 -3.254 15.152 217 HZ2 LYS 30 HZ2 LYS 30 15.108 -3.376 16.676 218 HZ3 LYS 30 HZ3 LYS 30 14.644 -2.139 15.617 219 H ILE 31 H ILE 31 9.040 -3.411 11.838 220 HA ILE 31 HA ILE 31 8.889 -4.654 9.257 221 HB ILE 31 HB ILE 31 8.566 -1.707 9.856 222 HG12 ILE 31 HG12 ILE 31 6.420 -3.847 9.819 223 HG13 ILE 31 HG13 ILE 31 7.062 -3.097 11.276 224 HG21 ILE 31 HG21 ILE 31 8.836 -2.214 7.495 225 HG22 ILE 31 HG22 ILE 31 7.175 -1.719 7.822 226 HG23 ILE 31 HG23 ILE 31 7.557 -3.425 7.584 227 HD11 ILE 31 HD11 ILE 31 6.189 -0.944 10.576 228 HD12 ILE 31 HD12 ILE 31 4.905 -2.154 10.622 229 HD13 ILE 31 HD13 ILE 31 5.597 -1.659 9.075 230 H VAL 32 H VAL 32 10.614 -4.949 7.997 231 HA VAL 32 HA VAL 32 12.794 -2.986 8.175 232 HB VAL 32 HB VAL 32 14.255 -4.647 7.110 233 HG11 VAL 32 HG11 VAL 32 14.380 -6.237 8.965 234 HG12 VAL 32 HG12 VAL 32 12.787 -5.712 9.512 235 HG13 VAL 32 HG13 VAL 32 14.141 -4.582 9.523 236 HG21 VAL 32 HG21 VAL 32 13.523 -6.961 6.789 237 HG22 VAL 32 HG22 VAL 32 12.624 -5.843 5.762 238 HG23 VAL 32 HG23 VAL 32 11.876 -6.496 7.219 239 H SER 33 H SER 33 10.273 -4.124 6.173 240 HA SER 33 HA SER 33 11.058 -2.473 3.939 241 HB2 SER 33 HB2 SER 33 10.950 -5.489 3.699 242 HB3 SER 33 HB3 SER 33 10.907 -4.397 2.316 243 HG SER 33 HG SER 33 12.981 -3.796 3.942 244 H VAL 34 H VAL 34 9.398 -2.490 2.256 245 HA VAL 34 HA VAL 34 6.884 -3.778 2.852 246 HB VAL 34 HB VAL 34 6.613 -1.777 4.169 247 HG11 VAL 34 HG11 VAL 34 7.356 -0.242 1.710 248 HG12 VAL 34 HG12 VAL 34 8.306 -0.397 3.189 249 HG13 VAL 34 HG13 VAL 34 6.767 0.466 3.214 250 HG21 VAL 34 HG21 VAL 34 4.605 -2.443 2.988 251 HG22 VAL 34 HG22 VAL 34 5.078 -1.477 1.590 252 HG23 VAL 34 HG23 VAL 34 4.679 -0.684 3.115 253 H ASP 35 H ASP 35 5.691 -4.135 1.087 254 HA ASP 35 HA ASP 35 6.847 -3.405 -1.503 255 HB2 ASP 35 HB2 ASP 35 5.243 -5.803 -0.653 256 HB3 ASP 35 HB3 ASP 35 5.395 -5.350 -2.347 257 H TRP 36 H TRP 36 5.776 -2.119 -2.767 258 HA TRP 36 HA TRP 36 2.939 -1.667 -2.252 259 HB2 TRP 36 HB2 TRP 36 3.547 0.128 -4.210 260 HB3 TRP 36 HB3 TRP 36 3.614 0.471 -2.490 261 HD1 TRP 36 HD1 TRP 36 5.940 0.964 -1.438 262 HE1 TRP 36 HE1 TRP 36 8.289 1.342 -2.397 263 HE3 TRP 36 HE3 TRP 36 5.152 -0.684 -6.220 264 HZ2 TRP 36 HZ2 TRP 36 9.634 1.000 -4.844 265 HZ3 TRP 36 HZ3 TRP 36 7.027 -0.622 -7.805 266 HH2 TRP 36 HH2 TRP 36 9.222 0.203 -7.132 267 H ASN 37 H ASN 37 1.394 -2.283 -3.621 268 HA ASN 37 HA ASN 37 1.943 -3.331 -6.260 269 HB2 ASN 37 HB2 ASN 37 2.796 -5.091 -4.671 270 HB3 ASN 37 HB3 ASN 37 1.182 -5.224 -4.004 271 HD21 ASN 37 HD21 ASN 37 0.863 -7.306 -4.502 272 HD22 ASN 37 HD22 ASN 37 0.725 -7.912 -6.116 273 H ALA 38 H ALA 38 -0.151 -4.284 -7.194 274 HA ALA 38 HA ALA 38 -2.600 -3.910 -5.698 275 HB1 ALA 38 HB1 ALA 38 -2.150 -2.387 -8.271 276 HB2 ALA 38 HB2 ALA 38 -2.266 -1.678 -6.658 277 HB3 ALA 38 HB3 ALA 38 -3.666 -2.479 -7.372 278 H ILE 39 H ILE 39 -4.498 -4.848 -6.942 279 HA ILE 39 HA ILE 39 -3.584 -6.926 -8.860 280 HB ILE 39 HB ILE 39 -6.158 -7.167 -7.315 281 HG12 ILE 39 HG12 ILE 39 -3.579 -8.368 -6.307 282 HG13 ILE 39 HG13 ILE 39 -4.187 -6.824 -5.716 283 HG21 ILE 39 HG21 ILE 39 -4.256 -9.183 -8.513 284 HG22 ILE 39 HG22 ILE 39 -5.801 -8.664 -9.192 285 HG23 ILE 39 HG23 ILE 39 -5.763 -9.571 -7.678 286 HD11 ILE 39 HD11 ILE 39 -6.264 -7.947 -5.009 287 HD12 ILE 39 HD12 ILE 39 -4.826 -8.581 -4.205 288 HD13 ILE 39 HD13 ILE 39 -5.574 -9.487 -5.522 289 H ASN 40 H ASN 40 -4.347 -6.554 -10.940 290 HA ASN 40 HA ASN 40 -6.519 -4.663 -11.273 291 HB2 ASN 40 HB2 ASN 40 -4.604 -4.687 -12.875 292 HB3 ASN 40 HB3 ASN 40 -5.161 -6.258 -13.458 293 HD21 ASN 40 HD21 ASN 40 -6.051 -2.853 -13.138 294 HD22 ASN 40 HD22 ASN 40 -7.157 -2.838 -14.466 295 H LYS 41 H LYS 41 -8.503 -5.004 -11.744 296 HA LYS 41 HA LYS 41 -9.848 -7.302 -11.014 297 HB2 LYS 41 HB2 LYS 41 -10.746 -5.012 -11.038 298 HB3 LYS 41 HB3 LYS 41 -10.784 -5.049 -12.792 299 HG2 LYS 41 HG2 LYS 41 -12.397 -6.922 -12.666 300 HG3 LYS 41 HG3 LYS 41 -12.409 -6.738 -10.910 301 HD2 LYS 41 HD2 LYS 41 -13.209 -4.458 -11.135 302 HD3 LYS 41 HD3 LYS 41 -13.149 -4.594 -12.892 303 HE2 LYS 41 HE2 LYS 41 -14.858 -6.310 -11.093 304 HE3 LYS 41 HE3 LYS 41 -15.428 -4.889 -11.970 305 HZ1 LYS 41 HZ1 LYS 41 -14.760 -5.995 -14.045 306 HZ2 LYS 41 HZ2 LYS 41 -15.957 -6.857 -13.210 307 HZ3 LYS 41 HZ3 LYS 41 -14.346 -7.385 -13.166 308 H ASP 42 H ASP 42 -9.166 -6.148 -14.319 309 HA ASP 42 HA ASP 42 -10.459 -8.471 -15.486 310 HB2 ASP 42 HB2 ASP 42 -10.627 -6.171 -16.481 311 HB3 ASP 42 HB3 ASP 42 -8.918 -6.269 -16.880 312 H GLY 43 H GLY 43 -7.245 -7.288 -14.844 313 HA2 GLY 43 HA2 GLY 43 -5.776 -8.936 -16.606 314 HA3 GLY 43 HA3 GLY 43 -5.140 -8.112 -15.191 315 H GLY 44 H GLY 44 -6.405 -9.284 -13.110 316 HA2 GLY 44 HA2 GLY 44 -7.008 -11.364 -12.129 317 HA3 GLY 44 HA3 GLY 44 -6.259 -12.190 -13.484 318 H ASP 45 H ASP 45 -4.026 -10.044 -12.917 319 HA ASP 45 HA ASP 45 -2.653 -11.705 -10.920 320 HB2 ASP 45 HB2 ASP 45 -2.016 -11.404 -13.627 321 HB3 ASP 45 HB3 ASP 45 -0.870 -10.370 -12.783 322 H ASP 46 H ASP 46 -0.527 -10.484 -10.289 323 HA ASP 46 HA ASP 46 -1.386 -8.041 -8.978 324 HB2 ASP 46 HB2 ASP 46 1.227 -9.568 -8.884 325 HB3 ASP 46 HB3 ASP 46 0.844 -8.179 -7.875 326 H LYS 47 H LYS 47 -0.005 -6.093 -9.028 327 HA LYS 47 HA LYS 47 0.585 -5.261 -11.680 328 HB2 LYS 47 HB2 LYS 47 -0.235 -3.776 -9.842 329 HB3 LYS 47 HB3 LYS 47 1.352 -3.891 -9.096 330 HG2 LYS 47 HG2 LYS 47 2.366 -2.822 -11.029 331 HG3 LYS 47 HG3 LYS 47 0.798 -2.754 -11.834 332 HD2 LYS 47 HD2 LYS 47 1.391 -1.444 -9.192 333 HD3 LYS 47 HD3 LYS 47 1.528 -0.624 -10.747 334 HE2 LYS 47 HE2 LYS 47 -0.828 -0.970 -11.178 335 HE3 LYS 47 HE3 LYS 47 -0.989 -1.908 -9.696 336 HZ1 LYS 47 HZ1 LYS 47 -0.263 0.957 -9.866 337 HZ2 LYS 47 HZ2 LYS 47 -0.377 0.054 -8.437 338 HZ3 LYS 47 HZ3 LYS 47 -1.763 0.334 -9.371 339 H ASP 48 H ASP 48 2.522 -6.352 -8.981 340 HA ASP 48 HA ASP 48 5.119 -5.993 -9.855 341 HB2 ASP 48 HB2 ASP 48 4.710 -6.849 -7.676 342 HB3 ASP 48 HB3 ASP 48 3.753 -8.187 -8.296 343 H THR 49 H THR 49 2.960 -8.723 -10.562 344 HA THR 49 HA THR 49 4.885 -9.954 -12.302 345 HB THR 49 HB THR 49 2.025 -10.766 -11.750 346 HG1 THR 49 HG1 THR 49 4.210 -10.672 -10.146 347 HG21 THR 49 HG21 THR 49 2.859 -13.031 -12.273 348 HG22 THR 49 HG22 THR 49 4.432 -12.349 -12.686 349 HG23 THR 49 HG23 THR 49 3.013 -11.945 -13.654 350 H LEU 50 H LEU 50 1.945 -8.024 -12.755 351 HA LEU 50 HA LEU 50 1.672 -8.548 -15.536 352 HB2 LEU 50 HB2 LEU 50 0.614 -6.318 -13.815 353 HB3 LEU 50 HB3 LEU 50 0.296 -6.403 -15.536 354 HG LEU 50 HG LEU 50 -0.513 -8.496 -13.508 355 HD11 LEU 50 HD11 LEU 50 -1.793 -6.453 -13.239 356 HD12 LEU 50 HD12 LEU 50 -2.793 -7.727 -13.940 357 HD13 LEU 50 HD13 LEU 50 -2.161 -6.437 -14.964 358 HD21 LEU 50 HD21 LEU 50 -0.079 -9.454 -15.714 359 HD22 LEU 50 HD22 LEU 50 -1.160 -8.269 -16.447 360 HD23 LEU 50 HD23 LEU 50 -1.802 -9.478 -15.334 361 H SER 51 H SER 51 3.489 -6.048 -13.771 362 HA SER 51 HA SER 51 4.349 -4.740 -16.177 363 HB2 SER 51 HB2 SER 51 5.941 -3.534 -14.751 364 HB3 SER 51 HB3 SER 51 4.324 -3.516 -14.053 365 HG SER 51 HG SER 51 4.963 -4.919 -12.502 366 H ARG 52 H ARG 52 5.419 -7.465 -14.337 367 HA ARG 52 HA ARG 52 8.082 -7.674 -15.313 368 HB2 ARG 52 HB2 ARG 52 6.912 -8.704 -13.224 369 HB3 ARG 52 HB3 ARG 52 6.401 -9.967 -14.324 370 HG2 ARG 52 HG2 ARG 52 9.293 -9.284 -14.082 371 HG3 ARG 52 HG3 ARG 52 8.511 -10.269 -12.852 372 HD2 ARG 52 HD2 ARG 52 7.757 -11.787 -14.724 373 HD3 ARG 52 HD3 ARG 52 8.828 -10.872 -15.785 374 HE ARG 52 HE ARG 52 10.198 -11.768 -13.472 375 HH11 ARG 52 HH11 ARG 52 9.019 -12.904 -16.587 376 HH12 ARG 52 HH12 ARG 52 10.142 -14.225 -16.648 377 HH21 ARG 52 HH21 ARG 52 11.638 -13.495 -13.578 378 HH22 ARG 52 HH22 ARG 52 11.620 -14.554 -14.953 379 H ASN 53 H ASN 53 4.989 -9.134 -16.252 380 HA ASN 53 HA ASN 53 6.166 -10.661 -18.400 381 HB2 ASN 53 HB2 ASN 53 3.267 -10.200 -17.650 382 HB3 ASN 53 HB3 ASN 53 3.812 -11.308 -18.901 383 HD21 ASN 53 HD21 ASN 53 2.275 -11.856 -16.545 384 HD22 ASN 53 HD22 ASN 53 3.176 -13.014 -15.623 385 H GLY 54 H GLY 54 4.052 -7.863 -18.143 386 HA2 GLY 54 HA2 GLY 54 4.206 -6.078 -19.817 387 HA3 GLY 54 HA3 GLY 54 4.475 -7.329 -21.024 388 H GLY 55 H GLY 55 2.105 -7.245 -18.423 389 HA2 GLY 55 HA2 GLY 55 -0.044 -7.115 -20.437 390 HA3 GLY 55 HA3 GLY 55 -0.103 -8.242 -19.087 391 H TYR 56 H TYR 56 1.048 -4.920 -19.027 392 HA TYR 56 HA TYR 56 -0.602 -4.220 -16.817 393 HB2 TYR 56 HB2 TYR 56 1.551 -3.188 -16.982 394 HB3 TYR 56 HB3 TYR 56 1.222 -2.604 -18.606 395 HD1 TYR 56 HD2 TYR 56 -0.132 -2.235 -15.118 396 HD2 TYR 56 HD1 TYR 56 0.671 -0.405 -18.875 397 HE1 TYR 56 HE2 TYR 56 -0.883 -0.069 -14.222 398 HE2 TYR 56 HE1 TYR 56 -0.077 1.757 -18.000 399 HH TYR 56 HH TYR 56 -1.644 2.543 -16.154 400 H LYS 57 H LYS 57 -2.690 -4.592 -17.460 401 HA LYS 57 HA LYS 57 -3.833 -2.629 -19.303 402 HB2 LYS 57 HB2 LYS 57 -4.343 -5.015 -19.689 403 HB3 LYS 57 HB3 LYS 57 -5.035 -5.123 -18.078 404 HG2 LYS 57 HG2 LYS 57 -6.792 -3.575 -18.700 405 HG3 LYS 57 HG3 LYS 57 -6.069 -3.373 -20.296 406 HD2 LYS 57 HD2 LYS 57 -6.453 -5.724 -20.782 407 HD3 LYS 57 HD3 LYS 57 -7.139 -5.957 -19.172 408 HE2 LYS 57 HE2 LYS 57 -8.948 -4.450 -19.681 409 HE3 LYS 57 HE3 LYS 57 -8.231 -4.066 -21.246 410 HZ1 LYS 57 HZ1 LYS 57 -9.229 -6.742 -20.415 411 HZ2 LYS 57 HZ2 LYS 57 -8.561 -6.349 -21.926 412 HZ3 LYS 57 HZ3 LYS 57 -10.031 -5.662 -21.450 413 H MET 58 H MET 58 -4.972 -0.969 -18.572 414 HA MET 58 HA MET 58 -5.967 -0.962 -15.796 415 HB2 MET 58 HB2 MET 58 -5.771 1.275 -17.838 416 HB3 MET 58 HB3 MET 58 -6.446 1.451 -16.227 417 HG2 MET 58 HG2 MET 58 -4.276 0.939 -15.252 418 HG3 MET 58 HG3 MET 58 -3.595 0.730 -16.867 419 HE1 MET 58 HE1 MET 58 -4.951 3.056 -18.530 420 HE2 MET 58 HE2 MET 58 -3.223 2.711 -18.594 421 HE3 MET 58 HE3 MET 58 -3.784 4.362 -18.322 422 H VAL 59 H VAL 59 -8.265 -0.317 -15.466 423 HA VAL 59 HA VAL 59 -9.880 -0.888 -17.837 424 HB VAL 59 HB VAL 59 -11.807 -1.250 -16.493 425 HG11 VAL 59 HG11 VAL 59 -11.123 -3.042 -14.949 426 HG12 VAL 59 HG12 VAL 59 -9.444 -2.524 -15.125 427 HG13 VAL 59 HG13 VAL 59 -10.326 -3.143 -16.520 428 HG21 VAL 59 HG21 VAL 59 -11.902 -0.936 -14.068 429 HG22 VAL 59 HG22 VAL 59 -11.610 0.582 -14.916 430 HG23 VAL 59 HG23 VAL 59 -10.281 -0.238 -14.096 431 H GLU 60 H GLU 60 -8.666 1.654 -16.059 432 HA GLU 60 HA GLU 60 -10.497 3.565 -17.310 433 HB2 GLU 60 HB2 GLU 60 -10.885 3.152 -14.799 434 HB3 GLU 60 HB3 GLU 60 -9.336 3.936 -14.554 435 HG2 GLU 60 HG2 GLU 60 -11.230 5.450 -16.194 436 HG3 GLU 60 HG3 GLU 60 -11.725 5.188 -14.522 437 H TYR 61 H TYR 61 -9.483 4.812 -18.601 438 HA TYR 61 HA TYR 61 -6.557 4.748 -18.558 439 HB2 TYR 61 HB2 TYR 61 -8.375 5.463 -20.870 440 HB3 TYR 61 HB3 TYR 61 -6.651 5.114 -20.941 441 HD1 TYR 61 HD1 TYR 61 -5.871 2.766 -20.448 442 HD2 TYR 61 HD2 TYR 61 -9.975 3.739 -20.995 443 HE1 TYR 61 HE1 TYR 61 -6.379 0.396 -20.818 444 HE2 TYR 61 HE2 TYR 61 -10.495 1.370 -21.371 445 HH TYR 61 HH TYR 61 -8.296 -1.115 -20.644 446 H GLY 62 H GLY 62 -7.115 6.432 -16.781 447 HA2 GLY 62 HA2 GLY 62 -7.449 9.124 -17.866 448 HA3 GLY 62 HA3 GLY 62 -7.317 8.692 -16.164 449 H GLY 63 H GLY 63 -5.008 7.109 -17.960 450 HA2 GLY 63 HA2 GLY 63 -2.960 7.950 -18.910 451 HA3 GLY 63 HA3 GLY 63 -3.066 9.329 -17.827 452 H ALA 64 H ALA 64 -3.048 8.693 -15.443 453 HA ALA 64 HA ALA 64 -0.794 6.855 -15.108 454 HB1 ALA 64 HB1 ALA 64 -0.282 8.123 -13.090 455 HB2 ALA 64 HB2 ALA 64 -1.697 9.139 -13.360 456 HB3 ALA 64 HB3 ALA 64 -0.352 9.182 -14.502 457 H GLN 65 H GLN 65 -0.698 5.644 -13.158 458 HA GLN 65 HA GLN 65 -3.099 4.392 -12.290 459 HB2 GLN 65 HB2 GLN 65 -0.295 4.419 -11.161 460 HB3 GLN 65 HB3 GLN 65 -1.581 3.387 -10.565 461 HG2 GLN 65 HG2 GLN 65 -1.429 1.964 -12.308 462 HG3 GLN 65 HG3 GLN 65 -0.952 3.226 -13.443 463 HE21 GLN 65 HE21 GLN 65 1.176 3.756 -13.658 464 HE22 GLN 65 HE22 GLN 65 2.465 2.848 -12.948 465 H ALA 66 H ALA 66 -0.864 6.764 -10.960 466 HA ALA 66 HA ALA 66 -0.686 7.943 -9.051 467 HB1 ALA 66 HB1 ALA 66 -3.706 7.948 -9.083 468 HB2 ALA 66 HB2 ALA 66 -2.665 9.085 -9.941 469 HB3 ALA 66 HB3 ALA 66 -2.668 9.051 -8.178 470 H GLU 67 H GLU 67 -0.692 5.078 -8.879 471 HA GLU 67 HA GLU 67 -2.002 4.555 -6.307 472 HB2 GLU 67 HB2 GLU 67 -1.145 2.700 -8.529 473 HB3 GLU 67 HB3 GLU 67 -1.756 2.154 -6.978 474 HG2 GLU 67 HG2 GLU 67 -3.907 3.030 -7.408 475 HG3 GLU 67 HG3 GLU 67 -3.335 3.921 -8.825 476 H TRP 68 H TRP 68 -0.612 2.182 -5.743 477 HA TRP 68 HA TRP 68 1.800 3.353 -4.661 478 HB2 TRP 68 HB2 TRP 68 0.794 0.550 -4.147 479 HB3 TRP 68 HB3 TRP 68 1.898 1.501 -3.162 480 HD1 TRP 68 HD1 TRP 68 -1.307 0.235 -2.811 481 HE1 TRP 68 HE1 TRP 68 -2.929 1.737 -1.521 482 HE3 TRP 68 HE3 TRP 68 1.311 4.628 -3.025 483 HZ2 TRP 68 HZ2 TRP 68 -3.084 4.449 -0.698 484 HZ3 TRP 68 HZ3 TRP 68 0.357 6.623 -1.959 485 HH2 TRP 68 HH2 TRP 68 -1.797 6.533 -0.820 486 H HIS 69 H HIS 69 3.047 3.558 -6.455 487 HA HIS 69 HA HIS 69 4.731 1.299 -6.984 488 HB2 HIS 69 HB2 HIS 69 2.834 1.079 -8.684 489 HB3 HIS 69 HB3 HIS 69 3.421 2.576 -9.397 490 HD1 HIS 69 HD1 HIS 69 4.237 -1.034 -9.013 491 HD2 HIS 69 HD2 HIS 69 5.827 2.316 -10.881 492 HE1 HIS 69 HE1 HIS 69 5.979 -1.910 -10.595 493 HE2 HIS 69 HE2 HIS 69 6.969 0.132 -11.681 494 H GLU 70 H GLU 70 3.853 4.548 -8.179 495 HA GLU 70 HA GLU 70 6.606 5.129 -8.856 496 HB2 GLU 70 HB2 GLU 70 4.064 6.753 -9.127 497 HB3 GLU 70 HB3 GLU 70 5.641 7.366 -9.583 498 HG2 GLU 70 HG2 GLU 70 4.575 6.659 -11.559 499 HG3 GLU 70 HG3 GLU 70 5.815 5.463 -11.201 500 H GLN 71 H GLN 71 4.259 7.166 -7.170 501 HA GLN 71 HA GLN 71 6.372 8.510 -5.730 502 HB2 GLN 71 HB2 GLN 71 4.482 9.936 -4.910 503 HB3 GLN 71 HB3 GLN 71 4.677 9.890 -6.658 504 HG2 GLN 71 HG2 GLN 71 2.844 8.262 -6.810 505 HG3 GLN 71 HG3 GLN 71 2.651 8.338 -5.056 506 HE21 GLN 71 HE21 GLN 71 2.203 10.003 -8.067 507 HE22 GLN 71 HE22 GLN 71 1.184 11.252 -7.441 508 H ALA 72 H ALA 72 4.540 5.809 -5.178 509 HA ALA 72 HA ALA 72 4.008 5.877 -2.420 510 HB1 ALA 72 HB1 ALA 72 3.042 4.214 -3.920 511 HB2 ALA 72 HB2 ALA 72 3.867 3.461 -2.554 512 HB3 ALA 72 HB3 ALA 72 4.638 3.495 -4.139 513 H GLU 73 H GLU 73 6.951 5.371 -4.182 514 HA GLU 73 HA GLU 73 8.608 4.051 -2.386 515 HB2 GLU 73 HB2 GLU 73 9.160 4.624 -4.723 516 HB3 GLU 73 HB3 GLU 73 9.315 6.313 -4.262 517 HG2 GLU 73 HG2 GLU 73 11.128 5.570 -2.661 518 HG3 GLU 73 HG3 GLU 73 11.068 4.006 -3.477 519 H LYS 74 H LYS 74 7.638 7.450 -2.411 520 HA LYS 74 HA LYS 74 9.509 8.287 -0.391 521 HB2 LYS 74 HB2 LYS 74 6.958 9.719 -1.156 522 HB3 LYS 74 HB3 LYS 74 8.414 10.413 -0.461 523 HG2 LYS 74 HG2 LYS 74 8.089 9.327 -3.252 524 HG3 LYS 74 HG3 LYS 74 8.243 11.019 -2.785 525 HD2 LYS 74 HD2 LYS 74 10.513 10.653 -2.046 526 HD3 LYS 74 HD3 LYS 74 10.362 8.917 -2.338 527 HE2 LYS 74 HE2 LYS 74 9.921 9.445 -4.737 528 HE3 LYS 74 HE3 LYS 74 10.311 11.129 -4.379 529 HZ1 LYS 74 HZ1 LYS 74 12.115 8.783 -4.126 530 HZ2 LYS 74 HZ2 LYS 74 12.497 10.343 -3.580 531 HZ3 LYS 74 HZ3 LYS 74 12.247 10.064 -5.232 532 H VAL 75 H VAL 75 6.203 7.245 -0.517 533 HA VAL 75 HA VAL 75 5.444 7.958 2.133 534 HB VAL 75 HB VAL 75 4.135 6.055 0.174 535 HG11 VAL 75 HG11 VAL 75 3.259 5.795 2.411 536 HG12 VAL 75 HG12 VAL 75 2.069 6.571 1.365 537 HG13 VAL 75 HG13 VAL 75 2.987 7.533 2.525 538 HG21 VAL 75 HG21 VAL 75 4.452 8.243 -0.833 539 HG22 VAL 75 HG22 VAL 75 3.699 9.014 0.564 540 HG23 VAL 75 HG23 VAL 75 2.746 7.962 -0.483 541 H GLU 76 H GLU 76 6.508 4.986 0.559 542 HA GLU 76 HA GLU 76 6.019 3.228 2.717 543 HB2 GLU 76 HB2 GLU 76 7.257 1.580 1.442 544 HB3 GLU 76 HB3 GLU 76 6.153 2.457 0.399 545 HG2 GLU 76 HG2 GLU 76 7.834 2.810 -0.979 546 HG3 GLU 76 HG3 GLU 76 8.581 3.825 0.251 547 H ALA 77 H ALA 77 8.885 5.066 1.764 548 HA ALA 77 HA ALA 77 10.720 3.970 3.589 549 HB1 ALA 77 HB1 ALA 77 11.366 5.359 1.686 550 HB2 ALA 77 HB2 ALA 77 12.022 5.990 3.197 551 HB3 ALA 77 HB3 ALA 77 10.615 6.758 2.457 552 H TYR 78 H TYR 78 8.320 6.491 3.886 553 HA TYR 78 HA TYR 78 9.078 7.383 6.477 554 HB2 TYR 78 HB2 TYR 78 7.694 8.633 4.730 555 HB3 TYR 78 HB3 TYR 78 6.334 7.645 5.259 556 HD1 TYR 78 HD2 TYR 78 8.918 9.993 6.515 557 HD2 TYR 78 HD1 TYR 78 5.048 8.328 7.092 558 HE1 TYR 78 HE2 TYR 78 8.518 11.579 8.342 559 HE2 TYR 78 HE1 TYR 78 4.636 9.912 8.924 560 HH TYR 78 HH TYR 78 6.669 12.596 9.532 561 H LEU 79 H LEU 79 6.888 4.885 5.270 562 HA LEU 79 HA LEU 79 5.645 4.185 7.703 563 HB2 LEU 79 HB2 LEU 79 4.919 3.476 5.426 564 HB3 LEU 79 HB3 LEU 79 6.302 2.418 5.335 565 HG LEU 79 HG LEU 79 3.979 1.416 5.823 566 HD11 LEU 79 HD11 LEU 79 5.989 0.088 5.935 567 HD12 LEU 79 HD12 LEU 79 4.891 -0.346 7.245 568 HD13 LEU 79 HD13 LEU 79 6.307 0.657 7.576 569 HD21 LEU 79 HD21 LEU 79 3.361 1.261 8.185 570 HD22 LEU 79 HD22 LEU 79 3.283 2.918 7.585 571 HD23 LEU 79 HD23 LEU 79 4.641 2.407 8.589 572 H VAL 80 H VAL 80 8.639 3.013 6.174 573 HA VAL 80 HA VAL 80 9.213 1.026 8.094 574 HB VAL 80 HB VAL 80 11.204 2.477 6.325 575 HG11 VAL 80 HG11 VAL 80 12.603 0.484 6.583 576 HG12 VAL 80 HG12 VAL 80 11.415 -0.213 7.686 577 HG13 VAL 80 HG13 VAL 80 12.289 1.250 8.142 578 HG21 VAL 80 HG21 VAL 80 10.941 0.589 4.787 579 HG22 VAL 80 HG22 VAL 80 9.423 1.459 5.005 580 HG23 VAL 80 HG23 VAL 80 9.681 -0.084 5.822 581 H GLU 81 H GLU 81 10.171 4.473 7.973 582 HA GLU 81 HA GLU 81 11.821 4.216 10.311 583 HB2 GLU 81 HB2 GLU 81 12.057 6.637 10.226 584 HB3 GLU 81 HB3 GLU 81 12.341 5.914 8.653 585 HG2 GLU 81 HG2 GLU 81 10.079 6.573 7.963 586 HG3 GLU 81 HG3 GLU 81 9.840 7.336 9.534 587 H LYS 82 H LYS 82 8.430 4.893 9.778 588 HA LYS 82 HA LYS 82 7.935 5.895 12.418 589 HB2 LYS 82 HB2 LYS 82 6.214 4.971 10.151 590 HB3 LYS 82 HB3 LYS 82 5.501 5.144 11.747 591 HG2 LYS 82 HG2 LYS 82 6.923 7.325 10.233 592 HG3 LYS 82 HG3 LYS 82 5.173 7.122 10.332 593 HD2 LYS 82 HD2 LYS 82 5.295 7.378 12.768 594 HD3 LYS 82 HD3 LYS 82 7.040 7.617 12.646 595 HE2 LYS 82 HE2 LYS 82 6.653 9.602 11.261 596 HE3 LYS 82 HE3 LYS 82 4.913 9.360 11.415 597 HZ1 LYS 82 HZ1 LYS 82 6.811 9.953 13.613 598 HZ2 LYS 82 HZ2 LYS 82 5.160 9.623 13.819 599 HZ3 LYS 82 HZ3 LYS 82 5.649 11.005 12.967 600 H GLN 83 H GLN 83 7.999 2.773 10.898 601 HA GLN 83 HA GLN 83 7.868 0.630 11.601 602 HB2 GLN 83 HB2 GLN 83 8.221 1.877 14.330 603 HB3 GLN 83 HB3 GLN 83 8.146 0.142 14.069 604 HG2 GLN 83 HG2 GLN 83 10.152 1.855 12.651 605 HG3 GLN 83 HG3 GLN 83 10.440 1.247 14.279 606 HE21 GLN 83 HE21 GLN 83 10.014 0.404 10.939 607 HE22 GLN 83 HE22 GLN 83 10.668 -1.197 11.063 608 H ASP 84 H ASP 84 5.442 2.528 11.543 609 HA ASP 84 HA ASP 84 3.554 0.837 12.956 610 HB2 ASP 84 HB2 ASP 84 4.435 2.606 14.562 611 HB3 ASP 84 HB3 ASP 84 3.660 3.805 13.530 612 HA PRO 85 HA PRO 85 1.420 1.933 9.177 613 HB2 PRO 85 HB2 PRO 85 -0.754 0.418 9.549 614 HB3 PRO 85 HB3 PRO 85 0.832 -0.287 9.211 615 HG2 PRO 85 HG2 PRO 85 -0.547 0.068 11.855 616 HG3 PRO 85 HG3 PRO 85 0.228 -1.386 11.190 617 HD2 PRO 85 HD2 PRO 85 1.503 0.222 12.926 618 HD3 PRO 85 HD3 PRO 85 2.355 -0.604 11.608 619 H THR 86 H THR 86 0.491 3.100 12.233 620 HA THR 86 HA THR 86 -1.701 4.558 10.942 621 HB THR 86 HB THR 86 -2.710 2.778 12.318 622 HG1 THR 86 HG1 THR 86 -3.120 5.478 13.057 623 HG21 THR 86 HG21 THR 86 -1.058 2.563 14.081 624 HG22 THR 86 HG22 THR 86 -2.647 2.905 14.765 625 HG23 THR 86 HG23 THR 86 -1.440 4.186 14.660 626 H ASP 87 H ASP 87 1.245 4.935 12.173 627 HA ASP 87 HA ASP 87 0.705 7.315 13.755 628 HB2 ASP 87 HB2 ASP 87 2.616 5.592 14.186 629 HB3 ASP 87 HB3 ASP 87 3.467 6.479 12.921 630 H ILE 88 H ILE 88 -0.312 8.536 12.205 631 HA ILE 88 HA ILE 88 1.324 10.150 10.521 632 HB ILE 88 HB ILE 88 1.118 8.100 9.118 633 HG12 ILE 88 HG12 ILE 88 0.190 9.232 7.051 634 HG13 ILE 88 HG13 ILE 88 -0.253 10.583 8.088 635 HG21 ILE 88 HG21 ILE 88 -1.838 8.672 9.129 636 HG22 ILE 88 HG22 ILE 88 -1.034 7.283 9.859 637 HG23 ILE 88 HG23 ILE 88 -1.026 7.486 8.106 638 HD11 ILE 88 HD11 ILE 88 1.847 10.984 6.922 639 HD12 ILE 88 HD12 ILE 88 2.543 9.547 7.673 640 HD13 ILE 88 HD13 ILE 88 2.080 10.927 8.669 641 H LYS 89 H LYS 89 0.211 12.057 9.934 642 HA LYS 89 HA LYS 89 -2.612 12.218 10.725 643 HB2 LYS 89 HB2 LYS 89 -1.020 13.136 12.480 644 HB3 LYS 89 HB3 LYS 89 -0.595 14.383 11.318 645 HG2 LYS 89 HG2 LYS 89 -2.847 15.220 11.316 646 HG3 LYS 89 HG3 LYS 89 -3.376 13.893 12.352 647 HD2 LYS 89 HD2 LYS 89 -1.885 14.694 14.126 648 HD3 LYS 89 HD3 LYS 89 -1.380 16.030 13.090 649 HE2 LYS 89 HE2 LYS 89 -3.658 16.874 13.047 650 HE3 LYS 89 HE3 LYS 89 -4.195 15.516 14.033 651 HZ1 LYS 89 HZ1 LYS 89 -2.283 17.630 14.857 652 HZ2 LYS 89 HZ2 LYS 89 -2.728 16.295 15.801 653 HZ3 LYS 89 HZ3 LYS 89 -3.888 17.461 15.387 654 H TYR 90 H TYR 90 -3.875 13.174 9.287 655 HA TYR 90 HA TYR 90 -2.592 14.496 6.983 656 HB2 TYR 90 HB2 TYR 90 -5.361 13.274 6.954 657 HB3 TYR 90 HB3 TYR 90 -4.378 13.774 5.589 658 HD1 TYR 90 HD2 TYR 90 -2.378 12.436 4.947 659 HD2 TYR 90 HD1 TYR 90 -5.179 11.083 7.834 660 HE1 TYR 90 HE2 TYR 90 -1.537 10.143 4.682 661 HE2 TYR 90 HE1 TYR 90 -4.349 8.782 7.577 662 HH TYR 90 HH TYR 90 -3.161 7.429 6.030 663 H LYS 91 H LYS 91 -3.276 16.452 6.339 664 HA LYS 91 HA LYS 91 -5.581 17.637 7.723 665 HB2 LYS 91 HB2 LYS 91 -4.182 19.813 6.758 666 HB3 LYS 91 HB3 LYS 91 -4.163 19.250 8.417 667 HG2 LYS 91 HG2 LYS 91 -1.915 19.598 7.869 668 HG3 LYS 91 HG3 LYS 91 -2.128 17.859 7.771 669 HD2 LYS 91 HD2 LYS 91 -0.745 18.620 5.937 670 HD3 LYS 91 HD3 LYS 91 -2.286 18.051 5.301 671 HE2 LYS 91 HE2 LYS 91 -3.039 20.227 4.875 672 HE3 LYS 91 HE3 LYS 91 -1.799 20.958 5.897 673 HZ1 LYS 91 HZ1 LYS 91 -0.141 20.265 4.266 674 HZ2 LYS 91 HZ2 LYS 91 -1.321 21.261 3.563 675 HZ3 LYS 91 HZ3 LYS 91 -1.360 19.589 3.301 676 H ASP 92 H ASP 92 -7.126 16.959 6.114 677 HA ASP 92 HA ASP 92 -7.043 18.235 3.578 678 HB2 ASP 92 HB2 ASP 92 -5.271 16.389 3.457 679 HB3 ASP 92 HB3 ASP 92 -6.600 15.247 3.557 680 H ASN 93 H ASN 93 -8.784 17.029 2.093 681 HA ASN 93 HA ASN 93 -11.152 16.424 3.660 682 HB2 ASN 93 HB2 ASN 93 -10.672 16.559 0.676 683 HB3 ASN 93 HB3 ASN 93 -12.226 16.164 1.401 684 HD21 ASN 93 HD21 ASN 93 -9.960 18.644 0.654 685 HD22 ASN 93 HD22 ASN 93 -10.957 19.984 1.114 686 H ASP 94 H ASP 94 -8.560 14.672 2.183 687 HA ASP 94 HA ASP 94 -10.190 12.221 2.169 688 HB2 ASP 94 HB2 ASP 94 -9.486 13.317 -0.165 689 HB3 ASP 94 HB3 ASP 94 -7.971 12.501 0.185 690 H GLY 95 H GLY 95 -6.855 13.521 2.100 691 HA2 GLY 95 HA2 GLY 95 -5.823 12.290 4.269 692 HA3 GLY 95 HA3 GLY 95 -5.824 10.998 3.081 693 H HIS 96 H HIS 96 -4.941 14.458 3.078 694 HA HIS 96 HA HIS 96 -2.363 13.691 1.887 695 HB2 HIS 96 HB2 HIS 96 -3.901 16.270 1.861 696 HB3 HIS 96 HB3 HIS 96 -2.167 16.263 1.565 697 HD1 HIS 96 HD1 HIS 96 -4.943 16.634 -0.332 698 HD2 HIS 96 HD2 HIS 96 -1.902 13.814 -0.504 699 HE1 HIS 96 HE1 HIS 96 -4.960 15.774 -2.686 700 HE2 HIS 96 HE2 HIS 96 -2.992 14.227 -2.813 701 H THR 97 H THR 97 -0.531 14.059 2.893 702 HA THR 97 HA THR 97 -0.740 15.100 5.630 703 HB THR 97 HB THR 97 -0.397 12.705 5.702 704 HG1 THR 97 HG1 THR 97 0.684 13.551 7.359 705 HG21 THR 97 HG21 THR 97 0.632 12.335 3.521 706 HG22 THR 97 HG22 THR 97 1.611 11.626 4.806 707 HG23 THR 97 HG23 THR 97 2.101 13.150 4.064 708 H ASP 98 H ASP 98 0.920 16.353 6.423 709 HA ASP 98 HA ASP 98 2.541 17.665 4.380 710 HB2 ASP 98 HB2 ASP 98 1.020 18.685 6.410 711 HB3 ASP 98 HB3 ASP 98 2.622 18.694 7.139 712 H ALA 99 H ALA 99 2.773 15.213 6.586 713 HA ALA 99 HA ALA 99 5.461 15.597 7.535 714 HB1 ALA 99 HB1 ALA 99 3.817 14.370 8.863 715 HB2 ALA 99 HB2 ALA 99 5.200 13.349 8.467 716 HB3 ALA 99 HB3 ALA 99 3.684 13.158 7.587 717 H ILE 100 H ILE 100 3.859 13.663 5.007 718 HA ILE 100 HA ILE 100 6.508 13.204 3.809 719 HB ILE 100 HB ILE 100 3.973 11.985 2.712 720 HG12 ILE 100 HG12 ILE 100 5.737 10.621 4.754 721 HG13 ILE 100 HG13 ILE 100 4.236 11.432 5.181 722 HG21 ILE 100 HG21 ILE 100 5.529 10.276 1.865 723 HG22 ILE 100 HG22 ILE 100 6.873 11.110 2.644 724 HG23 ILE 100 HG23 ILE 100 5.993 11.892 1.328 725 HD11 ILE 100 HD11 ILE 100 3.924 9.034 4.975 726 HD12 ILE 100 HD12 ILE 100 4.501 9.090 3.308 727 HD13 ILE 100 HD13 ILE 100 2.996 9.898 3.748 728 H SER 101 H SER 101 6.652 15.420 3.206 729 HA SER 101 HA SER 101 4.736 16.541 1.373 730 HB2 SER 101 HB2 SER 101 6.088 17.846 3.099 731 HB3 SER 101 HB3 SER 101 7.479 17.630 2.039 732 HG SER 101 HG SER 101 5.237 19.243 1.746 733 H GLY 102 H GLY 102 4.644 15.564 -0.524 734 HA2 GLY 102 HA2 GLY 102 6.253 15.756 -2.655 735 HA3 GLY 102 HA3 GLY 102 7.010 14.429 -1.777 736 H ALA 103 H ALA 103 4.142 13.851 -0.774 737 HA ALA 103 HA ALA 103 3.417 12.076 -2.949 738 HB1 ALA 103 HB1 ALA 103 2.162 12.442 -0.227 739 HB2 ALA 103 HB2 ALA 103 3.403 11.257 -0.639 740 HB3 ALA 103 HB3 ALA 103 1.806 11.152 -1.376 741 H THR 104 H THR 104 1.844 12.412 -4.345 742 HA THR 104 HA THR 104 0.313 14.905 -4.181 743 HB THR 104 HB THR 104 0.480 13.069 -6.572 744 HG1 THR 104 HG1 THR 104 2.605 13.563 -6.106 745 HG21 THR 104 HG21 THR 104 0.031 16.050 -6.330 746 HG22 THR 104 HG22 THR 104 -1.209 14.843 -6.670 747 HG23 THR 104 HG23 THR 104 0.082 15.131 -7.836 748 H ILE 105 H ILE 105 -0.053 11.406 -4.316 749 HA ILE 105 HA ILE 105 -2.947 11.589 -4.487 750 HB ILE 105 HB ILE 105 -1.583 9.822 -5.677 751 HG12 ILE 105 HG12 ILE 105 -4.153 9.714 -4.698 752 HG13 ILE 105 HG13 ILE 105 -3.470 8.616 -5.882 753 HG21 ILE 105 HG21 ILE 105 -0.921 7.797 -4.435 754 HG22 ILE 105 HG22 ILE 105 -1.289 8.637 -2.928 755 HG23 ILE 105 HG23 ILE 105 -0.003 9.234 -3.976 756 HD11 ILE 105 HD11 ILE 105 -3.684 8.120 -2.912 757 HD12 ILE 105 HD12 ILE 105 -2.989 7.007 -4.090 758 HD13 ILE 105 HD13 ILE 105 -4.701 7.417 -4.171 759 H LYS 106 H LYS 106 -4.332 10.653 -2.844 760 HA LYS 106 HA LYS 106 -3.650 11.368 -0.220 761 HB2 LYS 106 HB2 LYS 106 -5.792 10.294 0.451 762 HB3 LYS 106 HB3 LYS 106 -5.946 11.492 -0.816 763 HG2 LYS 106 HG2 LYS 106 -5.800 8.582 -1.507 764 HG3 LYS 106 HG3 LYS 106 -7.305 9.293 -0.926 765 HD2 LYS 106 HD2 LYS 106 -7.012 11.028 -2.763 766 HD3 LYS 106 HD3 LYS 106 -5.761 9.969 -3.417 767 HE2 LYS 106 HE2 LYS 106 -7.762 9.447 -4.564 768 HE3 LYS 106 HE3 LYS 106 -7.482 8.132 -3.421 769 HZ1 LYS 106 HZ1 LYS 106 -9.383 10.392 -3.112 770 HZ2 LYS 106 HZ2 LYS 106 -9.042 9.275 -1.890 771 HZ3 LYS 106 HZ3 LYS 106 -9.773 8.758 -3.330 772 H VAL 107 H VAL 107 -2.536 10.450 1.175 773 HA VAL 107 HA VAL 107 -1.286 7.893 0.830 774 HB VAL 107 HB VAL 107 -1.070 10.094 2.908 775 HG11 VAL 107 HG11 VAL 107 -0.366 8.028 3.979 776 HG12 VAL 107 HG12 VAL 107 1.005 9.099 3.685 777 HG13 VAL 107 HG13 VAL 107 0.734 7.704 2.639 778 HG21 VAL 107 HG21 VAL 107 0.777 9.255 0.696 779 HG22 VAL 107 HG22 VAL 107 1.036 10.592 1.820 780 HG23 VAL 107 HG23 VAL 107 -0.301 10.652 0.668 781 H LYS 108 H LYS 108 -4.170 8.858 2.213 782 HA LYS 108 HA LYS 108 -4.341 7.520 4.644 783 HB2 LYS 108 HB2 LYS 108 -6.841 7.611 4.259 784 HB3 LYS 108 HB3 LYS 108 -5.983 9.138 4.203 785 HG2 LYS 108 HG2 LYS 108 -7.340 9.397 2.408 786 HG3 LYS 108 HG3 LYS 108 -5.959 8.647 1.614 787 HD2 LYS 108 HD2 LYS 108 -7.918 7.581 0.784 788 HD3 LYS 108 HD3 LYS 108 -7.129 6.442 1.873 789 HE2 LYS 108 HE2 LYS 108 -9.541 6.435 2.209 790 HE3 LYS 108 HE3 LYS 108 -8.713 7.040 3.644 791 HZ1 LYS 108 HZ1 LYS 108 -10.718 8.324 2.964 792 HZ2 LYS 108 HZ2 LYS 108 -9.879 8.815 1.568 793 HZ3 LYS 108 HZ3 LYS 108 -9.307 9.251 3.101 794 H LYS 109 H LYS 109 -4.782 6.227 1.399 795 HA LYS 109 HA LYS 109 -6.030 3.803 2.262 796 HB2 LYS 109 HB2 LYS 109 -6.487 4.723 0.062 797 HB3 LYS 109 HB3 LYS 109 -4.792 4.610 -0.377 798 HG2 LYS 109 HG2 LYS 109 -4.895 2.209 -0.408 799 HG3 LYS 109 HG3 LYS 109 -6.540 2.216 0.226 800 HD2 LYS 109 HD2 LYS 109 -6.610 1.833 -2.161 801 HD3 LYS 109 HD3 LYS 109 -7.256 3.441 -1.825 802 HE2 LYS 109 HE2 LYS 109 -5.087 4.421 -2.407 803 HE3 LYS 109 HE3 LYS 109 -4.460 2.809 -2.738 804 HZ1 LYS 109 HZ1 LYS 109 -5.152 4.083 -4.731 805 HZ2 LYS 109 HZ2 LYS 109 -6.758 3.986 -4.192 806 HZ3 LYS 109 HZ3 LYS 109 -5.899 2.574 -4.573 807 H PHE 110 H PHE 110 -2.724 4.810 1.628 808 HA PHE 110 HA PHE 110 -1.518 2.265 1.563 809 HB2 PHE 110 HB2 PHE 110 -0.268 4.183 0.781 810 HB3 PHE 110 HB3 PHE 110 -0.414 4.977 2.345 811 HD1 PHE 110 HD1 PHE 110 1.041 1.949 0.741 812 HD2 PHE 110 HD2 PHE 110 1.235 4.773 3.909 813 HE1 PHE 110 HE1 PHE 110 3.140 0.924 1.521 814 HE2 PHE 110 HE2 PHE 110 3.324 3.757 4.699 815 HZ PHE 110 HZ PHE 110 4.269 1.828 3.522 816 H PHE 111 H PHE 111 -1.847 4.594 4.225 817 HA PHE 111 HA PHE 111 -0.763 2.811 6.155 818 HB2 PHE 111 HB2 PHE 111 -2.108 5.478 6.311 819 HB3 PHE 111 HB3 PHE 111 -1.804 4.559 7.780 820 HD1 PHE 111 HD1 PHE 111 0.497 4.101 8.502 821 HD2 PHE 111 HD2 PHE 111 -0.300 6.516 5.098 822 HE1 PHE 111 HE1 PHE 111 2.797 4.958 8.579 823 HE2 PHE 111 HE2 PHE 111 2.005 7.373 5.170 824 HZ PHE 111 HZ PHE 111 3.556 6.597 6.912 825 H ASP 112 H ASP 112 -4.004 3.392 5.001 826 HA ASP 112 HA ASP 112 -5.551 2.218 7.063 827 HB2 ASP 112 HB2 ASP 112 -6.254 3.488 4.877 828 HB3 ASP 112 HB3 ASP 112 -6.222 1.895 4.158 829 H LEU 113 H LEU 113 -4.175 0.933 4.113 830 HA LEU 113 HA LEU 113 -5.170 -1.712 4.522 831 HB2 LEU 113 HB2 LEU 113 -3.721 -0.245 2.416 832 HB3 LEU 113 HB3 LEU 113 -3.410 -1.941 2.493 833 HG LEU 113 HG LEU 113 -5.131 -1.629 0.892 834 HD11 LEU 113 HD11 LEU 113 -5.343 -3.556 2.350 835 HD12 LEU 113 HD12 LEU 113 -6.923 -2.951 1.855 836 HD13 LEU 113 HD13 LEU 113 -6.316 -2.609 3.476 837 HD21 LEU 113 HD21 LEU 113 -7.257 -0.553 1.409 838 HD22 LEU 113 HD22 LEU 113 -5.920 0.579 1.607 839 HD23 LEU 113 HD23 LEU 113 -6.674 -0.151 3.025 840 H ALA 114 H ALA 114 -2.129 -0.069 5.087 841 HA ALA 114 HA ALA 114 -0.553 -2.286 5.740 842 HB1 ALA 114 HB1 ALA 114 0.819 -0.736 7.001 843 HB2 ALA 114 HB2 ALA 114 -0.483 0.455 6.984 844 HB3 ALA 114 HB3 ALA 114 0.309 -0.006 5.478 845 H GLN 115 H GLN 115 -2.914 -0.492 7.685 846 HA GLN 115 HA GLN 115 -2.436 -1.790 10.179 847 HB2 GLN 115 HB2 GLN 115 -4.938 -0.454 9.138 848 HB3 GLN 115 HB3 GLN 115 -4.683 -0.938 10.808 849 HG2 GLN 115 HG2 GLN 115 -2.949 0.647 11.092 850 HG3 GLN 115 HG3 GLN 115 -2.901 1.000 9.365 851 HE21 GLN 115 HE21 GLN 115 -3.309 3.155 9.546 852 HE22 GLN 115 HE22 GLN 115 -4.820 3.799 10.093 853 H LYS 116 H LYS 116 -4.445 -2.534 7.416 854 HA LYS 116 HA LYS 116 -5.945 -4.635 8.640 855 HB2 LYS 116 HB2 LYS 116 -5.542 -3.842 5.755 856 HB3 LYS 116 HB3 LYS 116 -6.646 -5.106 6.282 857 HG2 LYS 116 HG2 LYS 116 -7.992 -3.543 7.472 858 HG3 LYS 116 HG3 LYS 116 -6.810 -2.255 7.233 859 HD2 LYS 116 HD2 LYS 116 -8.615 -1.912 5.699 860 HD3 LYS 116 HD3 LYS 116 -7.206 -2.440 4.780 861 HE2 LYS 116 HE2 LYS 116 -9.082 -3.608 3.903 862 HE3 LYS 116 HE3 LYS 116 -8.160 -4.771 4.855 863 HZ1 LYS 116 HZ1 LYS 116 -9.720 -4.427 6.683 864 HZ2 LYS 116 HZ2 LYS 116 -10.509 -4.981 5.290 865 HZ3 LYS 116 HZ3 LYS 116 -10.614 -3.347 5.731 866 H ALA 117 H ALA 117 -2.879 -4.440 6.982 867 HA ALA 117 HA ALA 117 -2.572 -7.251 6.537 868 HB1 ALA 117 HB1 ALA 117 -0.486 -5.077 6.695 869 HB2 ALA 117 HB2 ALA 117 -1.328 -5.600 5.236 870 HB3 ALA 117 HB3 ALA 117 -0.237 -6.708 6.069 871 H LEU 118 H LEU 118 -1.567 -4.992 9.074 872 HA LEU 118 HA LEU 118 -0.170 -7.069 10.565 873 HB2 LEU 118 HB2 LEU 118 -0.529 -4.112 10.974 874 HB3 LEU 118 HB3 LEU 118 0.322 -5.137 12.111 875 HG LEU 118 HG LEU 118 1.343 -5.460 9.420 876 HD11 LEU 118 HD11 LEU 118 0.584 -3.151 9.221 877 HD12 LEU 118 HD12 LEU 118 2.348 -3.279 9.209 878 HD13 LEU 118 HD13 LEU 118 1.509 -2.731 10.664 879 HD21 LEU 118 HD21 LEU 118 2.489 -6.219 11.381 880 HD22 LEU 118 HD22 LEU 118 2.517 -4.582 12.045 881 HD23 LEU 118 HD23 LEU 118 3.441 -4.964 10.590 882 H LYS 119 H LYS 119 -3.236 -6.867 10.308 883 HA LYS 119 HA LYS 119 -4.286 -6.101 12.826 884 HB2 LYS 119 HB2 LYS 119 -6.377 -7.107 12.077 885 HB3 LYS 119 HB3 LYS 119 -5.644 -6.133 10.810 886 HG2 LYS 119 HG2 LYS 119 -5.090 -7.997 9.521 887 HG3 LYS 119 HG3 LYS 119 -5.224 -9.101 10.888 888 HD2 LYS 119 HD2 LYS 119 -7.098 -9.423 9.413 889 HD3 LYS 119 HD3 LYS 119 -7.664 -8.704 10.921 890 HE2 LYS 119 HE2 LYS 119 -7.582 -6.477 9.777 891 HE3 LYS 119 HE3 LYS 119 -7.241 -7.335 8.274 892 HZ1 LYS 119 HZ1 LYS 119 -9.329 -8.510 8.503 893 HZ2 LYS 119 HZ2 LYS 119 -9.593 -6.835 8.518 894 HZ3 LYS 119 HZ3 LYS 119 -9.647 -7.711 9.963 895 H ASP 120 H ASP 120 -3.246 -9.253 11.599 896 HA ASP 120 HA ASP 120 -3.905 -10.462 14.197 897 HB2 ASP 120 HB2 ASP 120 -3.414 -11.630 11.470 898 HB3 ASP 120 HB3 ASP 120 -3.311 -12.625 12.917 899 H ALA 121 H ALA 121 -1.361 -9.417 12.237 900 HA ALA 121 HA ALA 121 0.883 -9.505 12.190 901 HB1 ALA 121 HB1 ALA 121 0.610 -9.930 15.157 902 HB2 ALA 121 HB2 ALA 121 0.510 -8.378 14.326 903 HB3 ALA 121 HB3 ALA 121 2.017 -9.294 14.304 904 H GLU 122 H GLU 122 -0.513 -12.122 11.874 905 HA GLU 122 HA GLU 122 1.909 -13.736 12.122 906 HB2 GLU 122 HB2 GLU 122 0.383 -15.722 12.654 907 HB3 GLU 122 HB3 GLU 122 0.702 -14.572 13.936 908 HG2 GLU 122 HG2 GLU 122 -1.553 -15.073 14.146 909 HG3 GLU 122 HG3 GLU 122 -1.528 -13.515 13.330 910 H LYS 123 H LYS 123 0.218 -12.272 9.998 911 HA LYS 123 HA LYS 123 -0.850 -14.356 8.332 912 HB2 LYS 123 HB2 LYS 123 -0.591 -11.375 7.972 913 HB3 LYS 123 HB3 LYS 123 -1.324 -12.433 6.773 914 HG2 LYS 123 HG2 LYS 123 -2.963 -13.161 8.466 915 HG3 LYS 123 HG3 LYS 123 -2.264 -12.004 9.600 916 HD2 LYS 123 HD2 LYS 123 -2.961 -10.158 8.295 917 HD3 LYS 123 HD3 LYS 123 -3.332 -11.189 6.908 918 HE2 LYS 123 HE2 LYS 123 -4.765 -11.206 9.557 919 HE3 LYS 123 HE3 LYS 123 -5.354 -10.445 8.083 920 HZ1 LYS 123 HZ1 LYS 123 -5.403 -12.625 7.033 921 HZ2 LYS 123 HZ2 LYS 123 -6.371 -12.599 8.422 922 HZ3 LYS 123 HZ3 LYS 123 -4.856 -13.348 8.464 923 H LEU 124 H LEU 124 0.043 -15.265 6.555 924 HA LEU 124 HA LEU 124 2.417 -13.995 5.419 925 HB2 LEU 124 HB2 LEU 124 3.498 -16.117 5.055 926 HB3 LEU 124 HB3 LEU 124 3.161 -15.907 6.752 927 HG LEU 124 HG LEU 124 1.344 -17.595 5.047 928 HD11 LEU 124 HD11 LEU 124 3.894 -18.487 6.389 929 HD12 LEU 124 HD12 LEU 124 3.623 -18.379 4.649 930 HD13 LEU 124 HD13 LEU 124 2.705 -19.536 5.613 931 HD21 LEU 124 HD21 LEU 124 0.964 -18.762 7.165 932 HD22 LEU 124 HD22 LEU 124 0.605 -17.042 7.322 933 HD23 LEU 124 HD23 LEU 124 2.112 -17.693 7.971 934 H GLU 125 H GLU 125 2.239 -13.585 3.338 935 HA GLU 125 HA GLU 125 0.664 -15.330 1.625 936 HB2 GLU 125 HB2 GLU 125 -0.293 -12.757 2.527 937 HB3 GLU 125 HB3 GLU 125 -0.144 -12.798 0.777 938 HG2 GLU 125 HG2 GLU 125 -1.732 -14.690 2.500 939 HG3 GLU 125 HG3 GLU 125 -2.371 -13.447 1.425 940 H HIS 126 H HIS 126 0.614 -13.971 -0.684 941 HA HIS 126 HA HIS 126 3.278 -14.471 -1.548 942 HB2 HIS 126 HB2 HIS 126 2.436 -14.192 -3.790 943 HB3 HIS 126 HB3 HIS 126 1.250 -15.089 -2.863 944 HD1 HIS 126 HD1 HIS 126 -0.963 -13.692 -2.179 945 HD2 HIS 126 HD2 HIS 126 1.528 -11.919 -4.999 946 HE1 HIS 126 HE1 HIS 126 -2.327 -11.869 -3.244 947 HE2 HIS 126 HE2 HIS 126 -0.854 -10.911 -5.052 948 H HIS 127 H HIS 127 4.837 -13.184 -2.337 949 HA HIS 127 HA HIS 127 4.482 -10.564 -3.311 950 HB2 HIS 127 HB2 HIS 127 5.597 -9.185 -1.727 951 HB3 HIS 127 HB3 HIS 127 4.425 -10.085 -0.796 952 HD1 HIS 127 HD1 HIS 127 7.595 -8.811 -0.393 953 HD2 HIS 127 HD2 HIS 127 6.018 -12.599 0.281 954 HE1 HIS 127 HE1 HIS 127 9.164 -9.916 1.226 955 HE2 HIS 127 HE2 HIS 127 8.034 -12.073 1.828 956 H HIS 128 H HIS 128 6.488 -9.736 -4.240 957 HA HIS 128 HA HIS 128 8.828 -11.466 -3.897 958 HB2 HIS 128 HB2 HIS 128 7.635 -10.611 -6.517 959 HB3 HIS 128 HB3 HIS 128 9.372 -10.867 -6.388 960 HD1 HIS 128 HD1 HIS 128 10.173 -13.306 -5.889 961 HD2 HIS 128 HD2 HIS 128 6.090 -12.932 -6.579 962 HE1 HIS 128 HE1 HIS 128 9.331 -15.646 -6.241 963 HE2 HIS 128 HE2 HIS 128 6.890 -15.391 -6.788 964 H HIS 129 H HIS 129 10.064 -10.216 -2.708 965 HA HIS 129 HA HIS 129 10.077 -7.344 -3.207 966 HB2 HIS 129 HB2 HIS 129 9.680 -8.237 -0.880 967 HB3 HIS 129 HB3 HIS 129 11.329 -8.843 -0.880 968 HD1 HIS 129 HD1 HIS 129 9.494 -5.535 -1.160 969 HD2 HIS 129 HD2 HIS 129 13.164 -7.059 0.047 970 HE1 HIS 129 HE1 HIS 129 10.746 -3.580 -0.191 971 HE2 HIS 129 HE2 HIS 129 12.907 -4.556 0.663 972 H HIS 130 H HIS 130 12.865 -8.969 -1.832 973 HA HIS 130 HA HIS 130 14.660 -8.884 -3.976 974 HB2 HIS 130 HB2 HIS 130 13.987 -6.380 -3.764 975 HB3 HIS 130 HB3 HIS 130 14.893 -6.396 -2.259 976 HD1 HIS 130 HD1 HIS 130 15.458 -6.989 -5.971 977 HD2 HIS 130 HD2 HIS 130 17.543 -5.905 -2.545 978 HE1 HIS 130 HE1 HIS 130 17.777 -6.407 -6.744 979 HE2 HIS 130 HE2 HIS 130 18.945 -5.541 -4.692 980 H HIS 131 H HIS 131 16.797 -9.320 -3.267 981 HA HIS 131 HA HIS 131 17.241 -10.660 -0.866 982 HB2 HIS 131 HB2 HIS 131 18.614 -10.903 -2.906 983 HB3 HIS 131 HB3 HIS 131 19.226 -9.272 -2.698 984 HD1 HIS 131 HD1 HIS 131 19.643 -12.768 -1.472 985 HD2 HIS 131 HD2 HIS 131 21.232 -9.000 -0.759 986 HE1 HIS 131 HE1 HIS 131 21.759 -13.163 -0.178 987 HE2 HIS 131 HE2 HIS 131 22.799 -10.890 0.053 Start of MODEL 10 1 H1 MET 1 H1 MET 1 3.249 -7.915 16.507 2 H2 MET 1 H2 MET 1 4.941 -7.849 16.570 3 H3 MET 1 H3 MET 1 4.108 -8.997 17.489 4 HA MET 1 HA MET 1 3.380 -10.144 15.579 5 HB2 MET 1 HB2 MET 1 4.283 -9.504 13.321 6 HB3 MET 1 HB3 MET 1 3.060 -8.420 13.957 7 HG2 MET 1 HG2 MET 1 5.962 -7.804 14.297 8 HG3 MET 1 HG3 MET 1 5.148 -7.476 12.770 9 HE1 MET 1 HE1 MET 1 5.683 -4.995 12.818 10 HE2 MET 1 HE2 MET 1 6.594 -5.195 14.315 11 HE3 MET 1 HE3 MET 1 5.390 -3.914 14.181 12 H LYS 2 H LYS 2 4.603 -11.710 14.512 13 HA LYS 2 HA LYS 2 7.324 -12.040 15.489 14 HB2 LYS 2 HB2 LYS 2 7.153 -14.278 14.404 15 HB3 LYS 2 HB3 LYS 2 5.879 -14.001 15.579 16 HG2 LYS 2 HG2 LYS 2 4.290 -13.549 13.788 17 HG3 LYS 2 HG3 LYS 2 5.569 -13.727 12.590 18 HD2 LYS 2 HD2 LYS 2 4.866 -15.946 14.488 19 HD3 LYS 2 HD3 LYS 2 4.002 -15.713 12.969 20 HE2 LYS 2 HE2 LYS 2 6.988 -16.036 13.166 21 HE3 LYS 2 HE3 LYS 2 5.878 -17.373 12.879 22 HZ1 LYS 2 HZ1 LYS 2 5.106 -16.162 10.873 23 HZ2 LYS 2 HZ2 LYS 2 6.735 -16.616 10.799 24 HZ3 LYS 2 HZ3 LYS 2 6.323 -15.013 11.134 25 H ASP 3 H ASP 3 8.870 -12.981 13.650 26 HA ASP 3 HA ASP 3 8.932 -11.067 11.524 27 HB2 ASP 3 HB2 ASP 3 10.918 -12.271 10.722 28 HB3 ASP 3 HB3 ASP 3 11.037 -11.890 12.432 29 H GLY 4 H GLY 4 7.781 -11.142 9.761 30 HA2 GLY 4 HA2 GLY 4 7.378 -13.510 8.227 31 HA3 GLY 4 HA3 GLY 4 5.914 -13.053 9.090 32 H THR 5 H THR 5 4.854 -12.644 7.105 33 HA THR 5 HA THR 5 5.295 -9.902 6.253 34 HB THR 5 HB THR 5 4.706 -11.872 4.067 35 HG1 THR 5 HG1 THR 5 7.219 -11.383 5.272 36 HG21 THR 5 HG21 THR 5 6.069 -9.187 4.192 37 HG22 THR 5 HG22 THR 5 4.409 -9.491 3.681 38 HG23 THR 5 HG23 THR 5 5.754 -10.107 2.719 39 H TYR 6 H TYR 6 3.371 -8.852 5.941 40 HA TYR 6 HA TYR 6 0.927 -10.477 6.268 41 HB2 TYR 6 HB2 TYR 6 1.499 -7.922 7.799 42 HB3 TYR 6 HB3 TYR 6 0.161 -9.043 8.061 43 HD1 TYR 6 HD1 TYR 6 0.908 -11.509 8.613 44 HD2 TYR 6 HD2 TYR 6 3.367 -8.089 9.171 45 HE1 TYR 6 HE1 TYR 6 2.377 -12.805 10.084 46 HE2 TYR 6 HE2 TYR 6 4.825 -9.376 10.671 47 HH TYR 6 HH TYR 6 4.893 -11.322 11.939 48 H TYR 7 H TYR 7 -0.218 -10.043 4.474 49 HA TYR 7 HA TYR 7 -0.106 -7.288 3.485 50 HB2 TYR 7 HB2 TYR 7 -0.109 -8.041 1.338 51 HB3 TYR 7 HB3 TYR 7 0.490 -9.517 2.065 52 HD1 TYR 7 HD2 TYR 7 -1.042 -11.471 2.329 53 HD2 TYR 7 HD1 TYR 7 -2.225 -7.925 0.296 54 HE1 TYR 7 HE2 TYR 7 -2.924 -12.686 1.306 55 HE2 TYR 7 HE1 TYR 7 -4.099 -9.114 -0.728 56 HH TYR 7 HH TYR 7 -4.884 -11.282 -1.212 57 H ALA 8 H ALA 8 -1.991 -6.219 2.935 58 HA ALA 8 HA ALA 8 -4.512 -7.613 3.422 59 HB1 ALA 8 HB1 ALA 8 -5.477 -5.659 4.507 60 HB2 ALA 8 HB2 ALA 8 -3.930 -4.819 4.409 61 HB3 ALA 8 HB3 ALA 8 -4.092 -6.257 5.420 62 H GLU 9 H GLU 9 -6.050 -7.167 1.948 63 HA GLU 9 HA GLU 9 -5.319 -5.237 -0.138 64 HB2 GLU 9 HB2 GLU 9 -6.504 -6.584 -1.749 65 HB3 GLU 9 HB3 GLU 9 -5.339 -7.589 -0.907 66 HG2 GLU 9 HG2 GLU 9 -7.157 -8.477 0.493 67 HG3 GLU 9 HG3 GLU 9 -8.299 -7.508 -0.443 68 H ALA 10 H ALA 10 -6.963 -4.048 -1.093 69 HA ALA 10 HA ALA 10 -8.773 -2.932 0.754 70 HB1 ALA 10 HB1 ALA 10 -8.601 -2.555 -2.235 71 HB2 ALA 10 HB2 ALA 10 -7.685 -1.657 -1.023 72 HB3 ALA 10 HB3 ALA 10 -9.440 -1.497 -1.096 73 H ASP 11 H ASP 11 -11.033 -2.859 0.696 74 HA ASP 11 HA ASP 11 -12.235 -5.411 0.244 75 HB2 ASP 11 HB2 ASP 11 -12.810 -4.004 2.174 76 HB3 ASP 11 HB3 ASP 11 -13.440 -2.766 1.102 77 H ASP 12 H ASP 12 -12.367 -2.291 -1.363 78 HA ASP 12 HA ASP 12 -13.799 -3.562 -3.596 79 HB2 ASP 12 HB2 ASP 12 -14.443 -1.279 -4.313 80 HB3 ASP 12 HB3 ASP 12 -15.068 -1.666 -2.715 81 H PHE 13 H PHE 13 -13.166 -2.345 -5.728 82 HA PHE 13 HA PHE 13 -10.243 -2.177 -5.897 83 HB2 PHE 13 HB2 PHE 13 -12.366 -2.350 -8.049 84 HB3 PHE 13 HB3 PHE 13 -10.654 -2.136 -8.381 85 HD1 PHE 13 HD1 PHE 13 -9.087 -3.962 -8.035 86 HD2 PHE 13 HD2 PHE 13 -13.255 -4.485 -7.363 87 HE1 PHE 13 HE1 PHE 13 -8.786 -6.401 -8.099 88 HE2 PHE 13 HE2 PHE 13 -12.961 -6.927 -7.421 89 HZ PHE 13 HZ PHE 13 -10.723 -7.889 -7.790 90 H ASP 14 H ASP 14 -9.231 -0.322 -6.780 91 HA ASP 14 HA ASP 14 -10.600 2.148 -6.294 92 HB2 ASP 14 HB2 ASP 14 -8.043 1.603 -6.080 93 HB3 ASP 14 HB3 ASP 14 -7.991 1.980 -7.797 94 H GLU 15 H GLU 15 -10.274 3.913 -8.156 95 HA GLU 15 HA GLU 15 -12.333 3.163 -9.972 96 HB2 GLU 15 HB2 GLU 15 -10.752 5.721 -9.694 97 HB3 GLU 15 HB3 GLU 15 -12.138 5.524 -10.763 98 HG2 GLU 15 HG2 GLU 15 -13.536 4.971 -8.811 99 HG3 GLU 15 HG3 GLU 15 -12.146 5.232 -7.764 100 H SER 16 H SER 16 -8.860 3.326 -10.332 101 HA SER 16 HA SER 16 -9.073 3.165 -13.240 102 HB2 SER 16 HB2 SER 16 -6.605 3.064 -11.496 103 HB3 SER 16 HB3 SER 16 -6.646 3.230 -13.258 104 HG SER 16 HG SER 16 -8.184 5.076 -11.920 105 H GLY 17 H GLY 17 -9.581 1.004 -10.896 106 HA2 GLY 17 HA2 GLY 17 -10.138 -1.218 -11.303 107 HA3 GLY 17 HA3 GLY 17 -9.179 -1.172 -12.772 108 H TRP 18 H TRP 18 -8.150 -0.347 -9.475 109 HA TRP 18 HA TRP 18 -6.416 -2.715 -9.467 110 HB2 TRP 18 HB2 TRP 18 -5.505 0.134 -9.030 111 HB3 TRP 18 HB3 TRP 18 -4.539 -1.271 -8.599 112 HD1 TRP 18 HD1 TRP 18 -5.233 1.034 -11.438 113 HE1 TRP 18 HE1 TRP 18 -4.078 0.190 -13.580 114 HE3 TRP 18 HE3 TRP 18 -3.961 -3.666 -9.890 115 HZ2 TRP 18 HZ2 TRP 18 -2.792 -2.151 -14.483 116 HZ3 TRP 18 HZ3 TRP 18 -2.776 -5.138 -11.454 117 HH2 TRP 18 HH2 TRP 18 -2.206 -4.397 -13.698 118 H LYS 19 H LYS 19 -6.570 -3.788 -7.628 119 HA LYS 19 HA LYS 19 -7.839 -2.582 -5.318 120 HB2 LYS 19 HB2 LYS 19 -8.359 -4.918 -6.008 121 HB3 LYS 19 HB3 LYS 19 -6.700 -5.371 -5.637 122 HG2 LYS 19 HG2 LYS 19 -7.020 -4.870 -3.318 123 HG3 LYS 19 HG3 LYS 19 -8.646 -4.261 -3.638 124 HD2 LYS 19 HD2 LYS 19 -7.864 -7.060 -4.369 125 HD3 LYS 19 HD3 LYS 19 -8.385 -6.657 -2.732 126 HE2 LYS 19 HE2 LYS 19 -10.470 -5.717 -3.689 127 HE3 LYS 19 HE3 LYS 19 -9.949 -6.279 -5.278 128 HZ1 LYS 19 HZ1 LYS 19 -9.964 -8.532 -4.473 129 HZ2 LYS 19 HZ2 LYS 19 -11.478 -7.823 -4.195 130 HZ3 LYS 19 HZ3 LYS 19 -10.384 -8.020 -2.915 131 H ASP 20 H ASP 20 -6.751 -1.538 -3.832 132 HA ASP 20 HA ASP 20 -3.941 -1.295 -3.822 133 HB2 ASP 20 HB2 ASP 20 -5.855 -0.629 -1.578 134 HB3 ASP 20 HB3 ASP 20 -4.268 0.075 -1.849 135 H THR 21 H THR 21 -2.414 -2.497 -2.809 136 HA THR 21 HA THR 21 -3.265 -4.097 -0.499 137 HB THR 21 HB THR 21 -1.897 -6.012 -1.100 138 HG1 THR 21 HG1 THR 21 -0.899 -4.331 -2.994 139 HG21 THR 21 HG21 THR 21 -3.113 -6.901 -3.024 140 HG22 THR 21 HG22 THR 21 -3.716 -5.284 -3.388 141 HG23 THR 21 HG23 THR 21 -4.189 -6.085 -1.890 142 H VAL 22 H VAL 22 -1.927 -4.071 1.156 143 HA VAL 22 HA VAL 22 0.682 -2.763 0.807 144 HB VAL 22 HB VAL 22 -1.160 -2.340 3.185 145 HG11 VAL 22 HG11 VAL 22 1.503 -1.092 2.512 146 HG12 VAL 22 HG12 VAL 22 1.215 -2.291 3.772 147 HG13 VAL 22 HG13 VAL 22 0.492 -0.687 3.900 148 HG21 VAL 22 HG21 VAL 22 -1.963 -1.144 1.196 149 HG22 VAL 22 HG22 VAL 22 -0.373 -0.402 1.005 150 HG23 VAL 22 HG23 VAL 22 -1.357 -0.027 2.420 151 H THR 23 H THR 23 2.100 -4.271 1.065 152 HA THR 23 HA THR 23 1.544 -6.534 2.839 153 HB THR 23 HB THR 23 3.727 -6.301 0.768 154 HG1 THR 23 HG1 THR 23 2.308 -6.706 -0.760 155 HG21 THR 23 HG21 THR 23 3.937 -8.118 2.391 156 HG22 THR 23 HG22 THR 23 3.609 -8.734 0.767 157 HG23 THR 23 HG23 THR 23 2.319 -8.674 1.968 158 H ILE 24 H ILE 24 2.413 -6.285 4.827 159 HA ILE 24 HA ILE 24 4.728 -4.561 5.226 160 HB ILE 24 HB ILE 24 2.989 -5.939 7.280 161 HG12 ILE 24 HG12 ILE 24 1.703 -4.378 5.858 162 HG13 ILE 24 HG13 ILE 24 1.782 -3.858 7.540 163 HG21 ILE 24 HG21 ILE 24 3.901 -4.303 8.857 164 HG22 ILE 24 HG22 ILE 24 4.950 -3.671 7.589 165 HG23 ILE 24 HG23 ILE 24 5.162 -5.326 8.168 166 HD11 ILE 24 HD11 ILE 24 3.423 -2.752 5.265 167 HD12 ILE 24 HD12 ILE 24 3.498 -2.213 6.944 168 HD13 ILE 24 HD13 ILE 24 2.021 -1.983 6.006 169 H GLU 25 H GLU 25 6.673 -5.503 5.115 170 HA GLU 25 HA GLU 25 6.906 -8.329 5.814 171 HB2 GLU 25 HB2 GLU 25 7.763 -7.707 3.619 172 HB3 GLU 25 HB3 GLU 25 8.837 -6.525 4.350 173 HG2 GLU 25 HG2 GLU 25 10.292 -8.085 5.103 174 HG3 GLU 25 HG3 GLU 25 9.068 -9.344 5.256 175 H VAL 26 H VAL 26 7.503 -8.850 7.692 176 HA VAL 26 HA VAL 26 9.000 -6.961 9.369 177 HB VAL 26 HB VAL 26 7.006 -9.122 10.162 178 HG11 VAL 26 HG11 VAL 26 7.238 -8.289 12.452 179 HG12 VAL 26 HG12 VAL 26 8.548 -7.231 11.925 180 HG13 VAL 26 HG13 VAL 26 8.742 -8.981 11.844 181 HG21 VAL 26 HG21 VAL 26 5.977 -7.111 9.221 182 HG22 VAL 26 HG22 VAL 26 6.860 -6.112 10.378 183 HG23 VAL 26 HG23 VAL 26 5.640 -7.251 10.947 184 H LYS 27 H LYS 27 10.864 -7.599 10.294 185 HA LYS 27 HA LYS 27 11.625 -10.404 10.403 186 HB2 LYS 27 HB2 LYS 27 12.498 -9.748 8.237 187 HB3 LYS 27 HB3 LYS 27 13.182 -8.281 8.913 188 HG2 LYS 27 HG2 LYS 27 14.679 -9.757 10.298 189 HG3 LYS 27 HG3 LYS 27 14.099 -11.106 9.313 190 HD2 LYS 27 HD2 LYS 27 14.906 -10.055 7.308 191 HD3 LYS 27 HD3 LYS 27 15.357 -8.605 8.209 192 HE2 LYS 27 HE2 LYS 27 16.975 -9.942 9.492 193 HE3 LYS 27 HE3 LYS 27 16.552 -11.351 8.522 194 HZ1 LYS 27 HZ1 LYS 27 17.307 -10.180 6.552 195 HZ2 LYS 27 HZ2 LYS 27 18.552 -10.298 7.697 196 HZ3 LYS 27 HZ3 LYS 27 17.730 -8.829 7.487 197 H ASN 28 H ASN 28 12.750 -10.797 12.214 198 HA ASN 28 HA ASN 28 13.737 -10.567 14.235 199 HB2 ASN 28 HB2 ASN 28 14.683 -7.915 13.107 200 HB3 ASN 28 HB3 ASN 28 15.203 -8.565 14.656 201 HD21 ASN 28 HD21 ASN 28 16.668 -7.928 12.173 202 HD22 ASN 28 HD22 ASN 28 17.524 -9.377 11.774 203 H GLY 29 H GLY 29 10.975 -9.752 13.844 204 HA2 GLY 29 HA2 GLY 29 9.401 -9.150 15.469 205 HA3 GLY 29 HA3 GLY 29 10.646 -8.241 16.303 206 H LYS 30 H LYS 30 11.262 -6.914 13.567 207 HA LYS 30 HA LYS 30 9.136 -4.897 13.851 208 HB2 LYS 30 HB2 LYS 30 10.885 -3.170 13.551 209 HB3 LYS 30 HB3 LYS 30 11.094 -4.115 15.017 210 HG2 LYS 30 HG2 LYS 30 12.836 -5.444 13.903 211 HG3 LYS 30 HG3 LYS 30 12.638 -4.462 12.449 212 HD2 LYS 30 HD2 LYS 30 14.536 -3.654 13.698 213 HD3 LYS 30 HD3 LYS 30 13.240 -2.458 13.775 214 HE2 LYS 30 HE2 LYS 30 12.592 -3.508 15.990 215 HE3 LYS 30 HE3 LYS 30 14.116 -4.390 15.911 216 HZ1 LYS 30 HZ1 LYS 30 15.295 -2.296 15.834 217 HZ2 LYS 30 HZ2 LYS 30 14.306 -2.366 17.210 218 HZ3 LYS 30 HZ3 LYS 30 13.831 -1.440 15.877 219 H ILE 31 H ILE 31 9.019 -3.348 11.994 220 HA ILE 31 HA ILE 31 8.845 -4.787 9.538 221 HB ILE 31 HB ILE 31 8.658 -1.786 9.886 222 HG12 ILE 31 HG12 ILE 31 6.402 -3.801 10.013 223 HG13 ILE 31 HG13 ILE 31 7.116 -3.031 11.423 224 HG21 ILE 31 HG21 ILE 31 8.873 -2.485 7.573 225 HG22 ILE 31 HG22 ILE 31 7.228 -1.922 7.876 226 HG23 ILE 31 HG23 ILE 31 7.563 -3.651 7.776 227 HD11 ILE 31 HD11 ILE 31 6.371 -0.857 10.635 228 HD12 ILE 31 HD12 ILE 31 5.013 -1.976 10.758 229 HD13 ILE 31 HD13 ILE 31 5.705 -1.598 9.179 230 H VAL 32 H VAL 32 10.426 -5.134 8.108 231 HA VAL 32 HA VAL 32 12.736 -3.324 8.201 232 HB VAL 32 HB VAL 32 13.995 -5.079 6.967 233 HG11 VAL 32 HG11 VAL 32 14.205 -4.851 9.368 234 HG12 VAL 32 HG12 VAL 32 14.292 -6.551 8.911 235 HG13 VAL 32 HG13 VAL 32 12.811 -5.903 9.618 236 HG21 VAL 32 HG21 VAL 32 11.583 -6.808 7.536 237 HG22 VAL 32 HG22 VAL 32 13.131 -7.374 6.903 238 HG23 VAL 32 HG23 VAL 32 12.129 -6.279 5.946 239 H SER 33 H SER 33 10.115 -4.413 6.254 240 HA SER 33 HA SER 33 10.794 -2.570 4.147 241 HB2 SER 33 HB2 SER 33 10.751 -5.553 3.632 242 HB3 SER 33 HB3 SER 33 10.563 -4.352 2.356 243 HG SER 33 HG SER 33 12.718 -3.856 3.957 244 H VAL 34 H VAL 34 9.055 -2.419 2.553 245 HA VAL 34 HA VAL 34 6.628 -3.880 3.193 246 HB VAL 34 HB VAL 34 6.270 -1.860 4.450 247 HG11 VAL 34 HG11 VAL 34 6.870 -0.356 1.939 248 HG12 VAL 34 HG12 VAL 34 7.859 -0.417 3.397 249 HG13 VAL 34 HG13 VAL 34 6.272 0.356 3.439 250 HG21 VAL 34 HG21 VAL 34 4.254 -0.931 3.409 251 HG22 VAL 34 HG22 VAL 34 4.295 -2.692 3.310 252 HG23 VAL 34 HG23 VAL 34 4.683 -1.720 1.891 253 H ASP 35 H ASP 35 5.520 -4.443 1.517 254 HA ASP 35 HA ASP 35 6.616 -3.920 -1.135 255 HB2 ASP 35 HB2 ASP 35 6.650 -6.258 -0.549 256 HB3 ASP 35 HB3 ASP 35 4.980 -6.202 -0.003 257 H TRP 36 H TRP 36 5.495 -2.890 -2.563 258 HA TRP 36 HA TRP 36 2.739 -2.131 -1.933 259 HB2 TRP 36 HB2 TRP 36 3.467 -0.157 -3.599 260 HB3 TRP 36 HB3 TRP 36 3.698 -0.066 -1.861 261 HD1 TRP 36 HD1 TRP 36 6.219 -0.445 -0.958 262 HE1 TRP 36 HE1 TRP 36 8.499 -0.046 -2.059 263 HE3 TRP 36 HE3 TRP 36 4.721 -0.154 -5.836 264 HZ2 TRP 36 HZ2 TRP 36 9.531 0.363 -4.642 265 HZ3 TRP 36 HZ3 TRP 36 6.427 0.253 -7.557 266 HH2 TRP 36 HH2 TRP 36 8.777 0.506 -6.970 267 H ASN 37 H ASN 37 1.281 -2.892 -3.207 268 HA ASN 37 HA ASN 37 1.857 -3.439 -6.005 269 HB2 ASN 37 HB2 ASN 37 2.624 -5.391 -4.574 270 HB3 ASN 37 HB3 ASN 37 0.945 -5.639 -4.135 271 HD21 ASN 37 HD21 ASN 37 1.105 -7.716 -4.978 272 HD22 ASN 37 HD22 ASN 37 1.041 -8.002 -6.680 273 H ALA 38 H ALA 38 -0.167 -4.283 -7.104 274 HA ALA 38 HA ALA 38 -2.662 -3.742 -5.699 275 HB1 ALA 38 HB1 ALA 38 -1.957 -2.550 -8.382 276 HB2 ALA 38 HB2 ALA 38 -2.182 -1.669 -6.869 277 HB3 ALA 38 HB3 ALA 38 -3.550 -2.489 -7.624 278 H ILE 39 H ILE 39 -4.565 -4.620 -7.020 279 HA ILE 39 HA ILE 39 -3.700 -6.970 -8.613 280 HB ILE 39 HB ILE 39 -6.251 -6.927 -6.972 281 HG12 ILE 39 HG12 ILE 39 -3.662 -8.230 -6.100 282 HG13 ILE 39 HG13 ILE 39 -4.177 -6.651 -5.520 283 HG21 ILE 39 HG21 ILE 39 -4.604 -9.180 -8.143 284 HG22 ILE 39 HG22 ILE 39 -6.129 -8.566 -8.785 285 HG23 ILE 39 HG23 ILE 39 -6.095 -9.369 -7.214 286 HD11 ILE 39 HD11 ILE 39 -6.194 -7.664 -4.577 287 HD12 ILE 39 HD12 ILE 39 -4.719 -8.374 -3.918 288 HD13 ILE 39 HD13 ILE 39 -5.648 -9.245 -5.138 289 H ASN 40 H ASN 40 -4.780 -7.304 -10.558 290 HA ASN 40 HA ASN 40 -6.132 -5.038 -11.652 291 HB2 ASN 40 HB2 ASN 40 -4.577 -6.542 -12.925 292 HB3 ASN 40 HB3 ASN 40 -5.824 -7.782 -12.887 293 HD21 ASN 40 HD21 ASN 40 -4.907 -4.667 -14.155 294 HD22 ASN 40 HD22 ASN 40 -6.049 -4.638 -15.449 295 H LYS 41 H LYS 41 -8.193 -4.641 -11.991 296 HA LYS 41 HA LYS 41 -10.180 -5.992 -10.480 297 HB2 LYS 41 HB2 LYS 41 -10.188 -3.569 -10.852 298 HB3 LYS 41 HB3 LYS 41 -10.448 -3.825 -12.569 299 HG2 LYS 41 HG2 LYS 41 -12.611 -4.939 -11.977 300 HG3 LYS 41 HG3 LYS 41 -12.346 -4.408 -10.316 301 HD2 LYS 41 HD2 LYS 41 -12.307 -2.091 -11.039 302 HD3 LYS 41 HD3 LYS 41 -12.499 -2.594 -12.720 303 HE2 LYS 41 HE2 LYS 41 -14.656 -3.617 -12.144 304 HE3 LYS 41 HE3 LYS 41 -14.475 -3.042 -10.487 305 HZ1 LYS 41 HZ1 LYS 41 -15.883 -1.579 -11.791 306 HZ2 LYS 41 HZ2 LYS 41 -14.633 -1.333 -12.907 307 HZ3 LYS 41 HZ3 LYS 41 -14.467 -0.774 -11.317 308 H ASP 42 H ASP 42 -9.398 -5.926 -13.902 309 HA ASP 42 HA ASP 42 -11.857 -6.977 -14.857 310 HB2 ASP 42 HB2 ASP 42 -10.353 -5.612 -16.236 311 HB3 ASP 42 HB3 ASP 42 -9.137 -6.878 -16.177 312 H GLY 43 H GLY 43 -8.725 -8.439 -14.106 313 HA2 GLY 43 HA2 GLY 43 -9.378 -10.722 -12.993 314 HA3 GLY 43 HA3 GLY 43 -9.825 -11.100 -14.648 315 H GLY 44 H GLY 44 -7.165 -9.011 -14.558 316 HA2 GLY 44 HA2 GLY 44 -5.368 -11.102 -15.397 317 HA3 GLY 44 HA3 GLY 44 -5.008 -9.387 -15.306 318 H ASP 45 H ASP 45 -2.975 -9.842 -14.405 319 HA ASP 45 HA ASP 45 -2.894 -11.319 -11.889 320 HB2 ASP 45 HB2 ASP 45 -1.263 -11.410 -14.062 321 HB3 ASP 45 HB3 ASP 45 -0.386 -10.274 -13.045 322 H ASP 46 H ASP 46 -0.625 -10.146 -10.768 323 HA ASP 46 HA ASP 46 -1.763 -7.817 -9.501 324 HB2 ASP 46 HB2 ASP 46 0.867 -9.261 -9.187 325 HB3 ASP 46 HB3 ASP 46 0.458 -7.823 -8.261 326 H LYS 47 H LYS 47 -0.523 -5.795 -9.275 327 HA LYS 47 HA LYS 47 0.035 -4.703 -11.815 328 HB2 LYS 47 HB2 LYS 47 -1.003 -3.510 -9.888 329 HB3 LYS 47 HB3 LYS 47 0.564 -3.510 -9.090 330 HG2 LYS 47 HG2 LYS 47 1.410 -1.900 -10.440 331 HG3 LYS 47 HG3 LYS 47 0.430 -2.403 -11.819 332 HD2 LYS 47 HD2 LYS 47 -1.548 -1.426 -10.781 333 HD3 LYS 47 HD3 LYS 47 -0.568 -0.921 -9.395 334 HE2 LYS 47 HE2 LYS 47 0.597 0.635 -10.616 335 HE3 LYS 47 HE3 LYS 47 0.245 -0.156 -12.145 336 HZ1 LYS 47 HZ1 LYS 47 -0.982 1.887 -11.980 337 HZ2 LYS 47 HZ2 LYS 47 -1.655 1.418 -10.497 338 HZ3 LYS 47 HZ3 LYS 47 -2.071 0.590 -11.911 339 H ASP 48 H ASP 48 2.117 -5.891 -9.245 340 HA ASP 48 HA ASP 48 4.558 -4.886 -10.328 341 HB2 ASP 48 HB2 ASP 48 4.224 -5.619 -7.949 342 HB3 ASP 48 HB3 ASP 48 4.176 -7.282 -8.524 343 H THR 49 H THR 49 2.805 -7.946 -10.618 344 HA THR 49 HA THR 49 4.697 -9.284 -12.242 345 HB THR 49 HB THR 49 1.743 -9.832 -12.389 346 HG1 THR 49 HG1 THR 49 1.871 -10.908 -10.428 347 HG21 THR 49 HG21 THR 49 2.517 -12.172 -12.481 348 HG22 THR 49 HG22 THR 49 4.187 -11.616 -12.358 349 HG23 THR 49 HG23 THR 49 3.222 -11.196 -13.774 350 H LEU 50 H LEU 50 1.782 -7.404 -13.041 351 HA LEU 50 HA LEU 50 2.013 -7.705 -15.841 352 HB2 LEU 50 HB2 LEU 50 0.548 -5.676 -14.173 353 HB3 LEU 50 HB3 LEU 50 0.490 -5.682 -15.926 354 HG LEU 50 HG LEU 50 -0.439 -7.929 -14.127 355 HD11 LEU 50 HD11 LEU 50 -1.990 -5.988 -15.826 356 HD12 LEU 50 HD12 LEU 50 -1.919 -6.003 -14.064 357 HD13 LEU 50 HD13 LEU 50 -2.666 -7.348 -14.928 358 HD21 LEU 50 HD21 LEU 50 0.442 -8.783 -16.234 359 HD22 LEU 50 HD22 LEU 50 -0.565 -7.646 -17.131 360 HD23 LEU 50 HD23 LEU 50 -1.315 -8.934 -16.186 361 H SER 51 H SER 51 3.443 -5.328 -13.641 362 HA SER 51 HA SER 51 4.404 -3.612 -15.701 363 HB2 SER 51 HB2 SER 51 4.163 -2.887 -13.342 364 HB3 SER 51 HB3 SER 51 5.481 -3.965 -12.894 365 HG SER 51 HG SER 51 6.431 -2.025 -13.196 366 H ARG 52 H ARG 52 5.844 -6.403 -13.979 367 HA ARG 52 HA ARG 52 8.427 -6.036 -15.169 368 HB2 ARG 52 HB2 ARG 52 9.053 -8.146 -14.121 369 HB3 ARG 52 HB3 ARG 52 8.191 -7.125 -12.982 370 HG2 ARG 52 HG2 ARG 52 6.217 -8.455 -13.182 371 HG3 ARG 52 HG3 ARG 52 6.917 -9.387 -14.502 372 HD2 ARG 52 HD2 ARG 52 7.002 -10.678 -12.488 373 HD3 ARG 52 HD3 ARG 52 8.637 -10.216 -12.949 374 HE ARG 52 HE ARG 52 7.213 -8.637 -10.924 375 HH11 ARG 52 HH11 ARG 52 9.854 -10.784 -11.795 376 HH12 ARG 52 HH12 ARG 52 10.670 -10.597 -10.272 377 HH21 ARG 52 HH21 ARG 52 8.267 -8.402 -8.934 378 HH22 ARG 52 HH22 ARG 52 9.767 -9.239 -8.639 379 H ASN 53 H ASN 53 5.587 -7.891 -16.060 380 HA ASN 53 HA ASN 53 6.951 -9.326 -18.162 381 HB2 ASN 53 HB2 ASN 53 4.120 -9.195 -17.199 382 HB3 ASN 53 HB3 ASN 53 4.452 -9.837 -18.807 383 HD21 ASN 53 HD21 ASN 53 4.751 -10.350 -15.396 384 HD22 ASN 53 HD22 ASN 53 5.288 -11.996 -15.483 385 H GLY 54 H GLY 54 5.311 -6.326 -17.854 386 HA2 GLY 54 HA2 GLY 54 5.321 -4.574 -19.413 387 HA3 GLY 54 HA3 GLY 54 5.846 -5.706 -20.647 388 H GLY 55 H GLY 55 3.112 -6.523 -18.702 389 HA2 GLY 55 HA2 GLY 55 1.308 -5.901 -20.960 390 HA3 GLY 55 HA3 GLY 55 1.097 -7.278 -19.887 391 H TYR 56 H TYR 56 1.965 -3.990 -19.022 392 HA TYR 56 HA TYR 56 0.012 -3.936 -16.930 393 HB2 TYR 56 HB2 TYR 56 2.141 -2.989 -16.463 394 HB3 TYR 56 HB3 TYR 56 2.118 -2.012 -17.920 395 HD1 TYR 56 HD2 TYR 56 -0.156 -2.418 -14.973 396 HD2 TYR 56 HD1 TYR 56 2.029 0.219 -17.489 397 HE1 TYR 56 HE2 TYR 56 -1.010 -0.505 -13.707 398 HE2 TYR 56 HE1 TYR 56 1.183 2.148 -16.224 399 HH TYR 56 HH TYR 56 -0.789 2.674 -14.771 400 H LYS 57 H LYS 57 -2.036 -3.865 -17.683 401 HA LYS 57 HA LYS 57 -2.800 -1.550 -19.330 402 HB2 LYS 57 HB2 LYS 57 -4.339 -4.118 -18.886 403 HB3 LYS 57 HB3 LYS 57 -4.790 -2.809 -19.967 404 HG2 LYS 57 HG2 LYS 57 -2.742 -3.256 -21.290 405 HG3 LYS 57 HG3 LYS 57 -2.410 -4.636 -20.244 406 HD2 LYS 57 HD2 LYS 57 -3.479 -5.495 -22.182 407 HD3 LYS 57 HD3 LYS 57 -4.680 -5.528 -20.889 408 HE2 LYS 57 HE2 LYS 57 -5.575 -3.376 -21.743 409 HE3 LYS 57 HE3 LYS 57 -4.437 -3.478 -23.085 410 HZ1 LYS 57 HZ1 LYS 57 -6.609 -5.408 -22.484 411 HZ2 LYS 57 HZ2 LYS 57 -5.489 -5.559 -23.749 412 HZ3 LYS 57 HZ3 LYS 57 -6.593 -4.276 -23.746 413 H MET 58 H MET 58 -4.338 -0.159 -18.642 414 HA MET 58 HA MET 58 -5.494 -0.568 -15.947 415 HB2 MET 58 HB2 MET 58 -4.997 2.051 -17.380 416 HB3 MET 58 HB3 MET 58 -5.614 1.856 -15.751 417 HG2 MET 58 HG2 MET 58 -3.530 1.124 -14.943 418 HG3 MET 58 HG3 MET 58 -2.896 0.909 -16.578 419 HE1 MET 58 HE1 MET 58 -2.608 4.623 -17.815 420 HE2 MET 58 HE2 MET 58 -3.962 3.516 -18.043 421 HE3 MET 58 HE3 MET 58 -2.308 2.931 -18.217 422 H VAL 59 H VAL 59 -7.723 0.357 -15.668 423 HA VAL 59 HA VAL 59 -9.206 0.225 -18.170 424 HB VAL 59 HB VAL 59 -11.226 0.012 -17.000 425 HG11 VAL 59 HG11 VAL 59 -10.863 -1.797 -15.375 426 HG12 VAL 59 HG12 VAL 59 -9.139 -1.422 -15.366 427 HG13 VAL 59 HG13 VAL 59 -9.909 -1.998 -16.844 428 HG21 VAL 59 HG21 VAL 59 -11.534 0.371 -14.596 429 HG22 VAL 59 HG22 VAL 59 -11.051 1.846 -15.432 430 HG23 VAL 59 HG23 VAL 59 -9.872 0.949 -14.474 431 H GLU 60 H GLU 60 -7.998 2.536 -15.957 432 HA GLU 60 HA GLU 60 -9.318 4.691 -17.462 433 HB2 GLU 60 HB2 GLU 60 -8.278 4.643 -14.628 434 HB3 GLU 60 HB3 GLU 60 -8.685 6.128 -15.476 435 HG2 GLU 60 HG2 GLU 60 -10.589 3.867 -14.933 436 HG3 GLU 60 HG3 GLU 60 -10.480 5.350 -13.985 437 H TYR 61 H TYR 61 -8.109 5.789 -18.762 438 HA TYR 61 HA TYR 61 -5.245 5.328 -18.800 439 HB2 TYR 61 HB2 TYR 61 -7.004 6.866 -20.720 440 HB3 TYR 61 HB3 TYR 61 -5.301 6.502 -20.966 441 HD1 TYR 61 HD1 TYR 61 -4.588 4.175 -21.425 442 HD2 TYR 61 HD2 TYR 61 -8.694 5.219 -21.083 443 HE1 TYR 61 HE1 TYR 61 -5.214 2.053 -22.497 444 HE2 TYR 61 HE2 TYR 61 -9.331 3.110 -22.151 445 HH TYR 61 HH TYR 61 -8.425 1.437 -23.579 446 H GLY 62 H GLY 62 -4.605 6.425 -16.996 447 HA2 GLY 62 HA2 GLY 62 -3.504 8.835 -16.961 448 HA3 GLY 62 HA3 GLY 62 -5.195 9.271 -16.730 449 H GLY 63 H GLY 63 -5.377 6.507 -15.320 450 HA2 GLY 63 HA2 GLY 63 -4.483 7.451 -12.691 451 HA3 GLY 63 HA3 GLY 63 -5.642 6.160 -12.990 452 H ALA 64 H ALA 64 -2.289 6.906 -13.875 453 HA ALA 64 HA ALA 64 -1.536 4.132 -13.830 454 HB1 ALA 64 HB1 ALA 64 -0.583 5.669 -15.477 455 HB2 ALA 64 HB2 ALA 64 0.674 4.944 -14.473 456 HB3 ALA 64 HB3 ALA 64 0.157 6.604 -14.177 457 H GLN 65 H GLN 65 -0.883 6.998 -11.909 458 HA GLN 65 HA GLN 65 0.329 5.343 -9.809 459 HB2 GLN 65 HB2 GLN 65 0.631 8.218 -10.621 460 HB3 GLN 65 HB3 GLN 65 0.950 7.768 -8.958 461 HG2 GLN 65 HG2 GLN 65 3.017 7.854 -10.140 462 HG3 GLN 65 HG3 GLN 65 2.671 6.174 -9.760 463 HE21 GLN 65 HE21 GLN 65 2.436 4.723 -11.406 464 HE22 GLN 65 HE22 GLN 65 2.720 5.107 -13.069 465 H ALA 66 H ALA 66 -2.275 4.957 -9.871 466 HA ALA 66 HA ALA 66 -3.696 6.988 -8.313 467 HB1 ALA 66 HB1 ALA 66 -5.723 5.858 -9.013 468 HB2 ALA 66 HB2 ALA 66 -4.768 4.571 -9.748 469 HB3 ALA 66 HB3 ALA 66 -4.698 6.203 -10.409 470 H GLU 67 H GLU 67 -1.985 4.235 -7.670 471 HA GLU 67 HA GLU 67 -3.188 3.888 -5.078 472 HB2 GLU 67 HB2 GLU 67 -3.685 1.556 -5.295 473 HB3 GLU 67 HB3 GLU 67 -4.466 2.374 -6.631 474 HG2 GLU 67 HG2 GLU 67 -2.027 0.624 -6.708 475 HG3 GLU 67 HG3 GLU 67 -3.600 0.319 -7.427 476 H TRP 68 H TRP 68 -1.653 1.273 -4.818 477 HA TRP 68 HA TRP 68 0.845 2.648 -4.201 478 HB2 TRP 68 HB2 TRP 68 -0.022 -0.021 -3.064 479 HB3 TRP 68 HB3 TRP 68 1.183 1.106 -2.422 480 HD1 TRP 68 HD1 TRP 68 -2.205 0.107 -1.755 481 HE1 TRP 68 HE1 TRP 68 -3.600 1.970 -0.690 482 HE3 TRP 68 HE3 TRP 68 0.950 4.056 -2.581 483 HZ2 TRP 68 HZ2 TRP 68 -3.384 4.778 -0.254 484 HZ3 TRP 68 HZ3 TRP 68 0.281 6.288 -1.815 485 HH2 TRP 68 HH2 TRP 68 -1.839 6.640 -0.681 486 H HIS 69 H HIS 69 1.302 2.464 -6.494 487 HA HIS 69 HA HIS 69 3.528 0.665 -6.552 488 HB2 HIS 69 HB2 HIS 69 1.443 -0.509 -7.725 489 HB3 HIS 69 HB3 HIS 69 1.890 0.553 -9.055 490 HD1 HIS 69 HD1 HIS 69 3.464 -2.101 -6.850 491 HD2 HIS 69 HD2 HIS 69 3.898 -0.414 -10.622 492 HE1 HIS 69 HE1 HIS 69 5.243 -3.456 -7.992 493 HE2 HIS 69 HE2 HIS 69 5.624 -2.296 -10.194 494 H GLU 70 H GLU 70 5.179 1.630 -7.541 495 HA GLU 70 HA GLU 70 6.483 3.049 -8.691 496 HB2 GLU 70 HB2 GLU 70 4.867 2.816 -10.572 497 HB3 GLU 70 HB3 GLU 70 4.000 4.213 -9.960 498 HG2 GLU 70 HG2 GLU 70 5.339 4.976 -11.723 499 HG3 GLU 70 HG3 GLU 70 6.109 5.523 -10.238 500 H GLN 71 H GLN 71 3.563 4.942 -7.753 501 HA GLN 71 HA GLN 71 5.199 7.156 -6.852 502 HB2 GLN 71 HB2 GLN 71 2.810 7.203 -7.913 503 HB3 GLN 71 HB3 GLN 71 2.264 6.858 -6.277 504 HG2 GLN 71 HG2 GLN 71 2.167 9.231 -6.710 505 HG3 GLN 71 HG3 GLN 71 3.384 8.885 -5.482 506 HE21 GLN 71 HE21 GLN 71 4.535 10.760 -5.853 507 HE22 GLN 71 HE22 GLN 71 5.465 11.018 -7.287 508 H ALA 72 H ALA 72 3.916 4.308 -5.552 509 HA ALA 72 HA ALA 72 3.588 4.996 -2.841 510 HB1 ALA 72 HB1 ALA 72 2.591 3.014 -3.862 511 HB2 ALA 72 HB2 ALA 72 3.523 2.628 -2.413 512 HB3 ALA 72 HB3 ALA 72 4.196 2.300 -4.011 513 H GLU 73 H GLU 73 6.423 4.381 -4.688 514 HA GLU 73 HA GLU 73 8.235 3.336 -2.869 515 HB2 GLU 73 HB2 GLU 73 8.630 3.509 -5.251 516 HB3 GLU 73 HB3 GLU 73 8.630 5.258 -5.168 517 HG2 GLU 73 HG2 GLU 73 10.633 3.844 -3.528 518 HG3 GLU 73 HG3 GLU 73 10.849 3.797 -5.275 519 H LYS 74 H LYS 74 7.250 6.726 -3.271 520 HA LYS 74 HA LYS 74 9.155 7.783 -1.409 521 HB2 LYS 74 HB2 LYS 74 6.656 8.880 -2.685 522 HB3 LYS 74 HB3 LYS 74 7.573 9.799 -1.498 523 HG2 LYS 74 HG2 LYS 74 8.826 8.681 -3.990 524 HG3 LYS 74 HG3 LYS 74 8.078 10.281 -3.929 525 HD2 LYS 74 HD2 LYS 74 9.614 10.983 -2.208 526 HD3 LYS 74 HD3 LYS 74 10.273 9.350 -2.083 527 HE2 LYS 74 HE2 LYS 74 10.379 10.875 -4.667 528 HE3 LYS 74 HE3 LYS 74 11.603 11.111 -3.417 529 HZ1 LYS 74 HZ1 LYS 74 10.919 8.508 -4.685 530 HZ2 LYS 74 HZ2 LYS 74 12.109 8.760 -3.509 531 HZ3 LYS 74 HZ3 LYS 74 12.281 9.452 -5.045 532 H VAL 75 H VAL 75 5.893 6.608 -1.214 533 HA VAL 75 HA VAL 75 5.269 7.584 1.397 534 HB VAL 75 HB VAL 75 3.934 5.402 -0.231 535 HG11 VAL 75 HG11 VAL 75 2.844 7.107 1.994 536 HG12 VAL 75 HG12 VAL 75 3.223 5.385 2.082 537 HG13 VAL 75 HG13 VAL 75 1.930 5.952 1.026 538 HG21 VAL 75 HG21 VAL 75 4.062 7.457 -1.523 539 HG22 VAL 75 HG22 VAL 75 3.350 8.362 -0.184 540 HG23 VAL 75 HG23 VAL 75 2.403 7.134 -1.021 541 H GLU 76 H GLU 76 6.420 4.536 0.070 542 HA GLU 76 HA GLU 76 6.053 2.978 2.400 543 HB2 GLU 76 HB2 GLU 76 7.264 1.232 1.241 544 HB3 GLU 76 HB3 GLU 76 6.084 1.981 0.184 545 HG2 GLU 76 HG2 GLU 76 7.729 2.004 -1.303 546 HG3 GLU 76 HG3 GLU 76 8.315 3.401 -0.412 547 H ALA 77 H ALA 77 8.814 4.808 1.208 548 HA ALA 77 HA ALA 77 10.782 3.881 2.969 549 HB1 ALA 77 HB1 ALA 77 11.207 5.268 0.991 550 HB2 ALA 77 HB2 ALA 77 11.963 5.929 2.443 551 HB3 ALA 77 HB3 ALA 77 10.476 6.641 1.818 552 H TYR 78 H TYR 78 8.236 6.220 3.381 553 HA TYR 78 HA TYR 78 9.092 7.210 5.911 554 HB2 TYR 78 HB2 TYR 78 7.563 8.363 4.233 555 HB3 TYR 78 HB3 TYR 78 6.286 7.304 4.826 556 HD1 TYR 78 HD2 TYR 78 8.752 9.841 5.923 557 HD2 TYR 78 HD1 TYR 78 5.061 7.895 6.739 558 HE1 TYR 78 HE2 TYR 78 8.326 11.429 7.740 559 HE2 TYR 78 HE1 TYR 78 4.623 9.482 8.562 560 HH TYR 78 HH TYR 78 6.475 12.328 8.986 561 H LEU 79 H LEU 79 7.005 4.551 4.877 562 HA LEU 79 HA LEU 79 5.928 3.937 7.441 563 HB2 LEU 79 HB2 LEU 79 5.046 3.196 5.188 564 HB3 LEU 79 HB3 LEU 79 6.363 2.055 5.111 565 HG LEU 79 HG LEU 79 4.004 1.239 5.777 566 HD11 LEU 79 HD11 LEU 79 5.932 -0.206 5.848 567 HD12 LEU 79 HD12 LEU 79 4.889 -0.499 7.239 568 HD13 LEU 79 HD13 LEU 79 6.382 0.426 7.432 569 HD21 LEU 79 HD21 LEU 79 3.534 1.255 8.183 570 HD22 LEU 79 HD22 LEU 79 3.511 2.874 7.483 571 HD23 LEU 79 HD23 LEU 79 4.901 2.345 8.431 572 H VAL 80 H VAL 80 8.775 2.789 5.661 573 HA VAL 80 HA VAL 80 9.585 0.876 7.599 574 HB VAL 80 HB VAL 80 11.248 2.211 5.437 575 HG11 VAL 80 HG11 VAL 80 11.782 -0.360 6.934 576 HG12 VAL 80 HG12 VAL 80 12.670 1.151 7.136 577 HG13 VAL 80 HG13 VAL 80 12.740 0.286 5.600 578 HG21 VAL 80 HG21 VAL 80 10.803 0.185 4.137 579 HG22 VAL 80 HG22 VAL 80 9.312 1.042 4.532 580 HG23 VAL 80 HG23 VAL 80 9.757 -0.413 5.425 581 H GLU 81 H GLU 81 10.316 4.349 7.252 582 HA GLU 81 HA GLU 81 12.270 4.247 9.356 583 HB2 GLU 81 HB2 GLU 81 12.430 6.620 9.193 584 HB3 GLU 81 HB3 GLU 81 12.353 5.959 7.569 585 HG2 GLU 81 HG2 GLU 81 10.000 6.598 7.426 586 HG3 GLU 81 HG3 GLU 81 10.089 7.269 9.054 587 H LYS 82 H LYS 82 8.799 4.771 9.228 588 HA LYS 82 HA LYS 82 8.616 5.912 11.851 589 HB2 LYS 82 HB2 LYS 82 6.671 5.065 9.762 590 HB3 LYS 82 HB3 LYS 82 6.088 5.200 11.417 591 HG2 LYS 82 HG2 LYS 82 7.525 7.403 9.961 592 HG3 LYS 82 HG3 LYS 82 5.767 7.238 10.029 593 HD2 LYS 82 HD2 LYS 82 5.797 7.434 12.424 594 HD3 LYS 82 HD3 LYS 82 7.561 7.435 12.436 595 HE2 LYS 82 HE2 LYS 82 7.577 9.535 11.211 596 HE3 LYS 82 HE3 LYS 82 5.817 9.526 11.152 597 HZ1 LYS 82 HZ1 LYS 82 7.408 9.604 13.653 598 HZ2 LYS 82 HZ2 LYS 82 5.722 9.746 13.513 599 HZ3 LYS 82 HZ3 LYS 82 6.734 10.962 12.898 600 H GLN 83 H GLN 83 8.325 2.711 10.511 601 HA GLN 83 HA GLN 83 8.169 0.623 11.379 602 HB2 GLN 83 HB2 GLN 83 8.826 1.978 14.005 603 HB3 GLN 83 HB3 GLN 83 8.732 0.236 13.782 604 HG2 GLN 83 HG2 GLN 83 10.595 1.983 12.209 605 HG3 GLN 83 HG3 GLN 83 11.033 1.243 13.748 606 HE21 GLN 83 HE21 GLN 83 10.285 0.679 10.412 607 HE22 GLN 83 HE22 GLN 83 10.867 -0.952 10.360 608 H ASP 84 H ASP 84 5.871 2.651 11.447 609 HA ASP 84 HA ASP 84 4.030 1.100 13.082 610 HB2 ASP 84 HB2 ASP 84 5.039 3.009 14.457 611 HB3 ASP 84 HB3 ASP 84 4.190 4.105 13.372 612 HA PRO 85 HA PRO 85 1.811 1.970 9.290 613 HB2 PRO 85 HB2 PRO 85 -0.249 0.330 9.716 614 HB3 PRO 85 HB3 PRO 85 1.378 -0.286 9.406 615 HG2 PRO 85 HG2 PRO 85 -0.030 0.069 12.033 616 HG3 PRO 85 HG3 PRO 85 0.834 -1.355 11.417 617 HD2 PRO 85 HD2 PRO 85 1.987 0.413 13.100 618 HD3 PRO 85 HD3 PRO 85 2.903 -0.443 11.842 619 H THR 86 H THR 86 0.910 3.221 12.311 620 HA THR 86 HA THR 86 -1.475 4.380 11.058 621 HB THR 86 HB THR 86 -2.199 2.709 12.729 622 HG1 THR 86 HG1 THR 86 -3.308 4.807 12.247 623 HG21 THR 86 HG21 THR 86 -1.997 3.164 15.119 624 HG22 THR 86 HG22 THR 86 -0.952 4.544 14.781 625 HG23 THR 86 HG23 THR 86 -0.412 2.911 14.385 626 H ASP 87 H ASP 87 1.513 5.043 12.480 627 HA ASP 87 HA ASP 87 0.738 7.606 13.587 628 HB2 ASP 87 HB2 ASP 87 2.589 6.195 14.571 629 HB3 ASP 87 HB3 ASP 87 3.562 6.615 13.160 630 H ILE 88 H ILE 88 0.037 8.951 12.131 631 HA ILE 88 HA ILE 88 1.725 10.157 10.192 632 HB ILE 88 HB ILE 88 1.214 8.056 8.992 633 HG12 ILE 88 HG12 ILE 88 0.216 9.033 6.902 634 HG13 ILE 88 HG13 ILE 88 -0.094 10.509 7.808 635 HG21 ILE 88 HG21 ILE 88 -1.682 8.856 9.199 636 HG22 ILE 88 HG22 ILE 88 -0.911 7.478 9.986 637 HG23 ILE 88 HG23 ILE 88 -1.053 7.523 8.229 638 HD11 ILE 88 HD11 ILE 88 1.921 10.690 6.471 639 HD12 ILE 88 HD12 ILE 88 2.609 9.291 7.294 640 HD13 ILE 88 HD13 ILE 88 2.298 10.779 8.191 641 H LYS 89 H LYS 89 0.765 12.100 9.398 642 HA LYS 89 HA LYS 89 -1.951 12.680 10.359 643 HB2 LYS 89 HB2 LYS 89 -0.385 13.840 11.812 644 HB3 LYS 89 HB3 LYS 89 0.442 14.534 10.425 645 HG2 LYS 89 HG2 LYS 89 -1.588 15.786 9.853 646 HG3 LYS 89 HG3 LYS 89 -2.395 15.104 11.264 647 HD2 LYS 89 HD2 LYS 89 -0.900 16.215 12.747 648 HD3 LYS 89 HD3 LYS 89 0.136 16.727 11.413 649 HE2 LYS 89 HE2 LYS 89 -1.271 18.560 12.219 650 HE3 LYS 89 HE3 LYS 89 -1.649 18.138 10.551 651 HZ1 LYS 89 HZ1 LYS 89 -3.538 16.839 11.385 652 HZ2 LYS 89 HZ2 LYS 89 -3.663 18.477 11.783 653 HZ3 LYS 89 HZ3 LYS 89 -3.195 17.352 12.959 654 H TYR 90 H TYR 90 -3.304 13.405 8.869 655 HA TYR 90 HA TYR 90 -2.198 14.438 6.331 656 HB2 TYR 90 HB2 TYR 90 -5.017 13.382 6.645 657 HB3 TYR 90 HB3 TYR 90 -4.107 13.656 5.170 658 HD1 TYR 90 HD2 TYR 90 -2.019 12.171 4.793 659 HD2 TYR 90 HD1 TYR 90 -5.127 11.248 7.532 660 HE1 TYR 90 HE2 TYR 90 -1.329 9.811 4.758 661 HE2 TYR 90 HE1 TYR 90 -4.449 8.883 7.518 662 HH TYR 90 HH TYR 90 -3.254 7.327 6.202 663 H LYS 91 H LYS 91 -3.307 16.160 5.342 664 HA LYS 91 HA LYS 91 -5.360 17.540 6.905 665 HB2 LYS 91 HB2 LYS 91 -4.097 19.692 5.776 666 HB3 LYS 91 HB3 LYS 91 -3.921 19.191 7.445 667 HG2 LYS 91 HG2 LYS 91 -1.750 19.638 6.623 668 HG3 LYS 91 HG3 LYS 91 -1.886 17.889 6.739 669 HD2 LYS 91 HD2 LYS 91 -0.761 18.365 4.705 670 HD3 LYS 91 HD3 LYS 91 -2.393 17.865 4.276 671 HE2 LYS 91 HE2 LYS 91 -1.774 19.746 2.909 672 HE3 LYS 91 HE3 LYS 91 -3.019 20.258 4.045 673 HZ1 LYS 91 HZ1 LYS 91 -1.193 21.859 3.791 674 HZ2 LYS 91 HZ2 LYS 91 -0.108 20.716 4.427 675 HZ3 LYS 91 HZ3 LYS 91 -1.373 21.316 5.384 676 H ASP 92 H ASP 92 -7.021 16.854 5.493 677 HA ASP 92 HA ASP 92 -7.104 17.800 2.835 678 HB2 ASP 92 HB2 ASP 92 -5.338 15.937 2.799 679 HB3 ASP 92 HB3 ASP 92 -6.667 14.828 3.093 680 H ASN 93 H ASN 93 -8.972 16.459 1.664 681 HA ASN 93 HA ASN 93 -11.153 16.073 3.541 682 HB2 ASN 93 HB2 ASN 93 -11.314 17.247 1.255 683 HB3 ASN 93 HB3 ASN 93 -11.236 15.637 0.560 684 HD21 ASN 93 HD21 ASN 93 -12.883 16.437 3.558 685 HD22 ASN 93 HD22 ASN 93 -14.483 16.147 2.969 686 H ASP 94 H ASP 94 -8.709 14.157 2.100 687 HA ASP 94 HA ASP 94 -10.243 11.709 2.641 688 HB2 ASP 94 HB2 ASP 94 -9.818 12.319 0.100 689 HB3 ASP 94 HB3 ASP 94 -8.203 11.728 0.448 690 H GLY 95 H GLY 95 -6.957 13.049 2.071 691 HA2 GLY 95 HA2 GLY 95 -5.665 12.096 4.234 692 HA3 GLY 95 HA3 GLY 95 -5.787 10.661 3.234 693 H HIS 96 H HIS 96 -5.115 14.020 2.192 694 HA HIS 96 HA HIS 96 -2.540 13.144 1.153 695 HB2 HIS 96 HB2 HIS 96 -4.040 15.747 0.964 696 HB3 HIS 96 HB3 HIS 96 -2.331 15.652 0.551 697 HD1 HIS 96 HD1 HIS 96 -5.300 15.836 -1.140 698 HD2 HIS 96 HD2 HIS 96 -2.197 13.080 -1.328 699 HE1 HIS 96 HE1 HIS 96 -5.498 14.759 -3.406 700 HE2 HIS 96 HE2 HIS 96 -3.452 13.313 -3.584 701 H THR 97 H THR 97 -0.642 13.583 2.052 702 HA THR 97 HA THR 97 -0.842 14.468 4.837 703 HB THR 97 HB THR 97 -0.282 12.151 4.725 704 HG1 THR 97 HG1 THR 97 0.839 13.080 6.360 705 HG21 THR 97 HG21 THR 97 2.033 12.901 2.948 706 HG22 THR 97 HG22 THR 97 0.595 11.995 2.475 707 HG23 THR 97 HG23 THR 97 1.739 11.297 3.626 708 H ASP 98 H ASP 98 0.587 15.852 5.716 709 HA ASP 98 HA ASP 98 2.073 17.564 3.895 710 HB2 ASP 98 HB2 ASP 98 0.556 18.312 5.859 711 HB3 ASP 98 HB3 ASP 98 1.900 17.853 6.890 712 H ALA 99 H ALA 99 2.624 14.847 5.779 713 HA ALA 99 HA ALA 99 5.326 15.422 6.607 714 HB1 ALA 99 HB1 ALA 99 5.262 13.195 7.583 715 HB2 ALA 99 HB2 ALA 99 3.726 12.874 6.775 716 HB3 ALA 99 HB3 ALA 99 3.824 14.118 8.020 717 H ILE 100 H ILE 100 3.731 13.401 4.133 718 HA ILE 100 HA ILE 100 6.383 12.768 3.031 719 HB ILE 100 HB ILE 100 3.766 11.558 2.107 720 HG12 ILE 100 HG12 ILE 100 5.713 10.307 4.063 721 HG13 ILE 100 HG13 ILE 100 4.241 11.131 4.564 722 HG21 ILE 100 HG21 ILE 100 5.240 9.787 1.219 723 HG22 ILE 100 HG22 ILE 100 6.645 10.681 1.800 724 HG23 ILE 100 HG23 ILE 100 5.624 11.368 0.538 725 HD11 ILE 100 HD11 ILE 100 3.952 8.718 4.523 726 HD12 ILE 100 HD12 ILE 100 4.376 8.689 2.810 727 HD13 ILE 100 HD13 ILE 100 2.906 9.506 3.342 728 H SER 101 H SER 101 6.878 14.649 2.013 729 HA SER 101 HA SER 101 5.128 15.902 0.107 730 HB2 SER 101 HB2 SER 101 6.827 17.178 1.403 731 HB3 SER 101 HB3 SER 101 8.103 16.309 0.554 732 HG SER 101 HG SER 101 7.942 17.863 -0.842 733 H GLY 102 H GLY 102 4.689 15.048 -1.786 734 HA2 GLY 102 HA2 GLY 102 5.925 14.618 -3.988 735 HA3 GLY 102 HA3 GLY 102 6.683 13.312 -3.088 736 H ALA 103 H ALA 103 4.048 12.947 -1.628 737 HA ALA 103 HA ALA 103 2.984 10.967 -3.425 738 HB1 ALA 103 HB1 ALA 103 2.082 11.805 -0.671 739 HB2 ALA 103 HB2 ALA 103 3.206 10.498 -1.051 740 HB3 ALA 103 HB3 ALA 103 1.520 10.384 -1.555 741 H THR 104 H THR 104 1.626 11.458 -4.971 742 HA THR 104 HA THR 104 -0.012 13.852 -4.829 743 HB THR 104 HB THR 104 0.293 11.956 -7.165 744 HG1 THR 104 HG1 THR 104 2.093 13.072 -7.713 745 HG21 THR 104 HG21 THR 104 -0.473 14.884 -7.018 746 HG22 THR 104 HG22 THR 104 -1.561 13.548 -7.399 747 HG23 THR 104 HG23 THR 104 -0.248 13.963 -8.504 748 H ILE 105 H ILE 105 -0.386 10.391 -4.708 749 HA ILE 105 HA ILE 105 -3.293 10.638 -4.746 750 HB ILE 105 HB ILE 105 -2.167 8.848 -6.055 751 HG12 ILE 105 HG12 ILE 105 -4.556 8.686 -4.969 752 HG13 ILE 105 HG13 ILE 105 -3.869 7.334 -5.845 753 HG21 ILE 105 HG21 ILE 105 -1.265 6.847 -4.959 754 HG22 ILE 105 HG22 ILE 105 -1.389 7.675 -3.406 755 HG23 ILE 105 HG23 ILE 105 -0.316 8.303 -4.654 756 HD11 ILE 105 HD11 ILE 105 -5.041 6.630 -3.831 757 HD12 ILE 105 HD12 ILE 105 -3.963 7.619 -2.845 758 HD13 ILE 105 HD13 ILE 105 -3.323 6.237 -3.737 759 H LYS 106 H LYS 106 -4.574 10.028 -2.926 760 HA LYS 106 HA LYS 106 -3.558 10.912 -0.466 761 HB2 LYS 106 HB2 LYS 106 -5.751 10.155 0.493 762 HB3 LYS 106 HB3 LYS 106 -5.854 11.294 -0.837 763 HG2 LYS 106 HG2 LYS 106 -6.095 8.377 -1.405 764 HG3 LYS 106 HG3 LYS 106 -7.453 9.234 -0.679 765 HD2 LYS 106 HD2 LYS 106 -7.350 10.865 -2.549 766 HD3 LYS 106 HD3 LYS 106 -6.098 9.872 -3.296 767 HE2 LYS 106 HE2 LYS 106 -8.197 9.332 -4.305 768 HE3 LYS 106 HE3 LYS 106 -7.698 7.972 -3.301 769 HZ1 LYS 106 HZ1 LYS 106 -9.190 8.794 -1.559 770 HZ2 LYS 106 HZ2 LYS 106 -10.026 8.433 -2.984 771 HZ3 LYS 106 HZ3 LYS 106 -9.698 10.044 -2.579 772 H VAL 107 H VAL 107 -2.589 10.040 1.056 773 HA VAL 107 HA VAL 107 -1.518 7.383 0.852 774 HB VAL 107 HB VAL 107 -1.002 9.697 2.751 775 HG11 VAL 107 HG11 VAL 107 -0.263 7.614 3.796 776 HG12 VAL 107 HG12 VAL 107 1.098 8.642 3.345 777 HG13 VAL 107 HG13 VAL 107 0.686 7.238 2.358 778 HG21 VAL 107 HG21 VAL 107 0.986 10.059 1.412 779 HG22 VAL 107 HG22 VAL 107 -0.474 10.148 0.424 780 HG23 VAL 107 HG23 VAL 107 0.540 8.703 0.375 781 H LYS 108 H LYS 108 -4.252 8.630 2.296 782 HA LYS 108 HA LYS 108 -4.386 7.467 4.819 783 HB2 LYS 108 HB2 LYS 108 -5.952 9.153 3.524 784 HB3 LYS 108 HB3 LYS 108 -6.836 7.694 3.113 785 HG2 LYS 108 HG2 LYS 108 -6.192 8.369 5.965 786 HG3 LYS 108 HG3 LYS 108 -7.585 9.066 5.150 787 HD2 LYS 108 HD2 LYS 108 -7.057 6.121 5.540 788 HD3 LYS 108 HD3 LYS 108 -8.187 7.096 6.481 789 HE2 LYS 108 HE2 LYS 108 -9.480 7.543 4.437 790 HE3 LYS 108 HE3 LYS 108 -8.351 6.555 3.511 791 HZ1 LYS 108 HZ1 LYS 108 -10.151 5.182 3.992 792 HZ2 LYS 108 HZ2 LYS 108 -10.241 5.696 5.605 793 HZ3 LYS 108 HZ3 LYS 108 -8.953 4.717 5.103 794 H LYS 109 H LYS 109 -5.096 6.089 1.636 795 HA LYS 109 HA LYS 109 -6.272 3.667 2.525 796 HB2 LYS 109 HB2 LYS 109 -6.442 4.684 0.237 797 HB3 LYS 109 HB3 LYS 109 -4.776 4.207 -0.043 798 HG2 LYS 109 HG2 LYS 109 -5.747 2.430 -1.010 799 HG3 LYS 109 HG3 LYS 109 -5.796 1.832 0.649 800 HD2 LYS 109 HD2 LYS 109 -7.940 1.495 -0.415 801 HD3 LYS 109 HD3 LYS 109 -8.098 2.697 0.866 802 HE2 LYS 109 HE2 LYS 109 -9.338 3.339 -1.153 803 HE3 LYS 109 HE3 LYS 109 -8.057 4.488 -0.782 804 HZ1 LYS 109 HZ1 LYS 109 -6.701 3.509 -2.506 805 HZ2 LYS 109 HZ2 LYS 109 -8.194 3.962 -3.159 806 HZ3 LYS 109 HZ3 LYS 109 -7.871 2.334 -2.828 807 H PHE 110 H PHE 110 -2.926 4.632 1.937 808 HA PHE 110 HA PHE 110 -1.760 2.054 1.900 809 HB2 PHE 110 HB2 PHE 110 -0.539 3.918 0.959 810 HB3 PHE 110 HB3 PHE 110 -0.572 4.779 2.493 811 HD1 PHE 110 HD1 PHE 110 0.834 1.778 0.809 812 HD2 PHE 110 HD2 PHE 110 1.105 4.516 4.049 813 HE1 PHE 110 HE1 PHE 110 3.002 0.798 1.457 814 HE2 PHE 110 HE2 PHE 110 3.255 3.541 4.707 815 HZ PHE 110 HZ PHE 110 4.201 1.681 3.429 816 H PHE 111 H PHE 111 -1.906 4.515 4.462 817 HA PHE 111 HA PHE 111 -0.750 2.777 6.397 818 HB2 PHE 111 HB2 PHE 111 -2.024 5.481 6.535 819 HB3 PHE 111 HB3 PHE 111 -1.656 4.600 8.014 820 HD1 PHE 111 HD1 PHE 111 0.650 4.150 8.650 821 HD2 PHE 111 HD2 PHE 111 -0.258 6.402 5.163 822 HE1 PHE 111 HE1 PHE 111 2.969 4.953 8.575 823 HE2 PHE 111 HE2 PHE 111 2.064 7.209 5.077 824 HZ PHE 111 HZ PHE 111 3.681 6.484 6.788 825 H ASP 112 H ASP 112 -4.049 3.425 5.403 826 HA ASP 112 HA ASP 112 -5.479 2.297 7.558 827 HB2 ASP 112 HB2 ASP 112 -6.228 3.413 5.211 828 HB3 ASP 112 HB3 ASP 112 -6.486 1.720 4.842 829 H LEU 113 H LEU 113 -4.417 0.855 4.510 830 HA LEU 113 HA LEU 113 -5.296 -1.768 5.207 831 HB2 LEU 113 HB2 LEU 113 -3.931 -0.491 2.912 832 HB3 LEU 113 HB3 LEU 113 -3.672 -2.201 3.111 833 HG LEU 113 HG LEU 113 -5.451 -1.902 1.542 834 HD11 LEU 113 HD11 LEU 113 -7.287 -3.085 2.617 835 HD12 LEU 113 HD12 LEU 113 -6.590 -2.730 4.199 836 HD13 LEU 113 HD13 LEU 113 -5.720 -3.760 3.061 837 HD21 LEU 113 HD21 LEU 113 -6.858 -0.235 3.626 838 HD22 LEU 113 HD22 LEU 113 -7.535 -0.742 2.078 839 HD23 LEU 113 HD23 LEU 113 -6.154 0.355 2.117 840 H ALA 114 H ALA 114 -2.257 -0.057 5.527 841 HA ALA 114 HA ALA 114 -0.610 -2.244 6.185 842 HB1 ALA 114 HB1 ALA 114 0.861 -0.606 7.202 843 HB2 ALA 114 HB2 ALA 114 -0.434 0.594 7.175 844 HB3 ALA 114 HB3 ALA 114 0.239 -0.012 5.661 845 H GLN 115 H GLN 115 -2.756 -0.242 8.165 846 HA GLN 115 HA GLN 115 -2.201 -1.354 10.711 847 HB2 GLN 115 HB2 GLN 115 -4.660 -0.045 9.558 848 HB3 GLN 115 HB3 GLN 115 -4.585 -0.577 11.230 849 HG2 GLN 115 HG2 GLN 115 -2.878 0.981 11.730 850 HG3 GLN 115 HG3 GLN 115 -2.641 1.373 10.031 851 HE21 GLN 115 HE21 GLN 115 -4.005 2.811 9.039 852 HE22 GLN 115 HE22 GLN 115 -5.197 3.732 9.888 853 H LYS 116 H LYS 116 -4.405 -2.247 8.145 854 HA LYS 116 HA LYS 116 -5.860 -4.210 9.616 855 HB2 LYS 116 HB2 LYS 116 -5.712 -3.675 6.642 856 HB3 LYS 116 HB3 LYS 116 -6.892 -4.719 7.428 857 HG2 LYS 116 HG2 LYS 116 -7.914 -2.902 8.536 858 HG3 LYS 116 HG3 LYS 116 -6.586 -1.813 8.137 859 HD2 LYS 116 HD2 LYS 116 -8.312 -1.219 6.669 860 HD3 LYS 116 HD3 LYS 116 -7.218 -2.203 5.700 861 HE2 LYS 116 HE2 LYS 116 -9.390 -2.935 5.162 862 HE3 LYS 116 HE3 LYS 116 -8.726 -4.164 6.235 863 HZ1 LYS 116 HZ1 LYS 116 -9.942 -3.125 8.071 864 HZ2 LYS 116 HZ2 LYS 116 -10.978 -3.662 6.844 865 HZ3 LYS 116 HZ3 LYS 116 -10.624 -2.009 6.991 866 H ALA 117 H ALA 117 -2.986 -4.239 7.684 867 HA ALA 117 HA ALA 117 -2.828 -6.984 7.067 868 HB1 ALA 117 HB1 ALA 117 -1.562 -5.244 5.918 869 HB2 ALA 117 HB2 ALA 117 -0.505 -6.502 6.561 870 HB3 ALA 117 HB3 ALA 117 -0.634 -4.948 7.389 871 H LEU 118 H LEU 118 -1.745 -5.109 9.862 872 HA LEU 118 HA LEU 118 -0.341 -7.446 10.922 873 HB2 LEU 118 HB2 LEU 118 -0.375 -4.557 11.769 874 HB3 LEU 118 HB3 LEU 118 0.557 -5.810 12.568 875 HG LEU 118 HG LEU 118 1.013 -5.616 9.675 876 HD11 LEU 118 HD11 LEU 118 0.674 -3.278 10.210 877 HD12 LEU 118 HD12 LEU 118 2.370 -3.613 9.845 878 HD13 LEU 118 HD13 LEU 118 1.853 -3.396 11.519 879 HD21 LEU 118 HD21 LEU 118 3.333 -5.817 10.402 880 HD22 LEU 118 HD22 LEU 118 2.321 -7.061 11.138 881 HD23 LEU 118 HD23 LEU 118 2.827 -5.659 12.083 882 H LYS 119 H LYS 119 -3.422 -6.727 11.004 883 HA LYS 119 HA LYS 119 -4.115 -6.397 13.717 884 HB2 LYS 119 HB2 LYS 119 -6.368 -6.938 13.101 885 HB3 LYS 119 HB3 LYS 119 -5.646 -5.982 11.814 886 HG2 LYS 119 HG2 LYS 119 -5.669 -7.713 10.319 887 HG3 LYS 119 HG3 LYS 119 -5.579 -8.951 11.572 888 HD2 LYS 119 HD2 LYS 119 -7.746 -9.048 10.576 889 HD3 LYS 119 HD3 LYS 119 -7.927 -8.379 12.197 890 HE2 LYS 119 HE2 LYS 119 -9.308 -7.090 10.753 891 HE3 LYS 119 HE3 LYS 119 -7.907 -6.095 11.141 892 HZ1 LYS 119 HZ1 LYS 119 -8.299 -7.653 8.645 893 HZ2 LYS 119 HZ2 LYS 119 -6.939 -6.709 9.006 894 HZ3 LYS 119 HZ3 LYS 119 -8.453 -5.976 8.805 895 H ASP 120 H ASP 120 -3.335 -9.299 11.930 896 HA ASP 120 HA ASP 120 -4.098 -10.963 14.217 897 HB2 ASP 120 HB2 ASP 120 -3.398 -11.632 11.362 898 HB3 ASP 120 HB3 ASP 120 -3.526 -12.863 12.612 899 H ALA 121 H ALA 121 -1.416 -9.703 12.519 900 HA ALA 121 HA ALA 121 0.810 -9.889 12.545 901 HB1 ALA 121 HB1 ALA 121 1.942 -10.176 14.612 902 HB2 ALA 121 HB2 ALA 121 0.527 -10.950 15.336 903 HB3 ALA 121 HB3 ALA 121 0.468 -9.242 14.890 904 H GLU 122 H GLU 122 -0.965 -12.550 12.267 905 HA GLU 122 HA GLU 122 1.335 -13.985 11.208 906 HB2 GLU 122 HB2 GLU 122 -0.707 -15.253 13.059 907 HB3 GLU 122 HB3 GLU 122 0.286 -16.186 11.957 908 HG2 GLU 122 HG2 GLU 122 2.296 -15.299 13.118 909 HG3 GLU 122 HG3 GLU 122 1.221 -14.518 14.274 910 H LYS 123 H LYS 123 0.497 -13.165 9.226 911 HA LYS 123 HA LYS 123 -2.036 -14.407 8.381 912 HB2 LYS 123 HB2 LYS 123 -0.880 -11.752 7.485 913 HB3 LYS 123 HB3 LYS 123 -2.316 -12.502 6.802 914 HG2 LYS 123 HG2 LYS 123 -3.166 -12.477 9.269 915 HG3 LYS 123 HG3 LYS 123 -1.923 -11.248 9.483 916 HD2 LYS 123 HD2 LYS 123 -3.947 -10.103 9.022 917 HD3 LYS 123 HD3 LYS 123 -2.965 -10.005 7.560 918 HE2 LYS 123 HE2 LYS 123 -5.295 -10.487 7.017 919 HE3 LYS 123 HE3 LYS 123 -4.260 -11.844 6.571 920 HZ1 LYS 123 HZ1 LYS 123 -5.800 -11.705 9.109 921 HZ2 LYS 123 HZ2 LYS 123 -4.973 -13.046 8.480 922 HZ3 LYS 123 HZ3 LYS 123 -6.364 -12.470 7.705 923 H LEU 124 H LEU 124 -1.617 -13.655 5.573 924 HA LEU 124 HA LEU 124 -0.021 -15.894 4.796 925 HB2 LEU 124 HB2 LEU 124 -1.343 -13.735 3.160 926 HB3 LEU 124 HB3 LEU 124 -0.483 -15.093 2.462 927 HG LEU 124 HG LEU 124 -2.967 -15.278 4.173 928 HD11 LEU 124 HD11 LEU 124 -4.047 -15.978 2.103 929 HD12 LEU 124 HD12 LEU 124 -2.544 -15.699 1.223 930 HD13 LEU 124 HD13 LEU 124 -3.392 -14.345 1.970 931 HD21 LEU 124 HD21 LEU 124 -1.524 -17.224 4.471 932 HD22 LEU 124 HD22 LEU 124 -1.419 -17.426 2.722 933 HD23 LEU 124 HD23 LEU 124 -2.964 -17.644 3.543 934 H GLU 125 H GLU 125 2.063 -15.873 4.874 935 HA GLU 125 HA GLU 125 3.580 -13.396 4.706 936 HB2 GLU 125 HB2 GLU 125 4.394 -16.202 5.505 937 HB3 GLU 125 HB3 GLU 125 5.429 -14.781 5.606 938 HG2 GLU 125 HG2 GLU 125 3.946 -13.774 7.219 939 HG3 GLU 125 HG3 GLU 125 2.824 -15.122 7.078 940 H HIS 126 H HIS 126 5.652 -13.375 3.497 941 HA HIS 126 HA HIS 126 5.421 -14.267 0.818 942 HB2 HIS 126 HB2 HIS 126 7.672 -13.058 2.412 943 HB3 HIS 126 HB3 HIS 126 7.996 -13.717 0.816 944 HD1 HIS 126 HD1 HIS 126 8.200 -10.640 1.691 945 HD2 HIS 126 HD2 HIS 126 5.112 -12.416 -0.454 946 HE1 HIS 126 HE1 HIS 126 7.145 -8.781 0.354 947 HE2 HIS 126 HE2 HIS 126 5.421 -9.927 -1.080 948 H HIS 127 H HIS 127 5.599 -16.246 0.127 949 HA HIS 127 HA HIS 127 6.278 -18.318 1.947 950 HB2 HIS 127 HB2 HIS 127 5.520 -19.864 0.239 951 HB3 HIS 127 HB3 HIS 127 4.408 -18.517 0.344 952 HD1 HIS 127 HD1 HIS 127 6.223 -20.515 -2.034 953 HD2 HIS 127 HD2 HIS 127 4.861 -16.588 -1.908 954 HE1 HIS 127 HE1 HIS 127 6.271 -19.708 -4.414 955 HE2 HIS 127 HE2 HIS 127 5.491 -17.316 -4.314 956 H HIS 128 H HIS 128 8.010 -16.836 -0.690 957 HA HIS 128 HA HIS 128 10.023 -18.976 -0.601 958 HB2 HIS 128 HB2 HIS 128 8.888 -18.410 -2.783 959 HB3 HIS 128 HB3 HIS 128 9.655 -16.831 -2.705 960 HD1 HIS 128 HD1 HIS 128 11.712 -16.688 -4.045 961 HD2 HIS 128 HD2 HIS 128 11.023 -20.561 -2.701 962 HE1 HIS 128 HE1 HIS 128 13.546 -18.085 -5.045 963 HE2 HIS 128 HE2 HIS 128 13.223 -20.373 -4.060 964 H HIS 129 H HIS 129 9.492 -15.579 -0.065 965 HA HIS 129 HA HIS 129 12.326 -14.948 0.069 966 HB2 HIS 129 HB2 HIS 129 10.551 -13.416 -0.913 967 HB3 HIS 129 HB3 HIS 129 9.988 -13.143 0.730 968 HD1 HIS 129 HD1 HIS 129 10.986 -11.144 1.831 969 HD2 HIS 129 HD2 HIS 129 13.430 -12.640 -1.181 970 HE1 HIS 129 HE1 HIS 129 12.922 -9.561 1.687 971 HE2 HIS 129 HE2 HIS 129 14.271 -10.369 -0.277 972 H HIS 130 H HIS 130 9.902 -16.034 2.219 973 HA HIS 130 HA HIS 130 11.652 -15.411 4.487 974 HB2 HIS 130 HB2 HIS 130 9.562 -13.859 4.223 975 HB3 HIS 130 HB3 HIS 130 8.658 -15.268 4.770 976 HD1 HIS 130 HD1 HIS 130 11.076 -12.678 5.918 977 HD2 HIS 130 HD2 HIS 130 8.983 -15.909 7.480 978 HE1 HIS 130 HE1 HIS 130 11.326 -12.501 8.408 979 HE2 HIS 130 HE2 HIS 130 10.231 -14.576 9.315 980 H HIS 131 H HIS 131 11.885 -17.088 5.912 981 HA HIS 131 HA HIS 131 10.433 -19.574 5.271 982 HB2 HIS 131 HB2 HIS 131 12.988 -19.476 5.100 983 HB3 HIS 131 HB3 HIS 131 13.004 -19.354 6.850 984 HD1 HIS 131 HD1 HIS 131 12.935 -21.762 4.123 985 HD2 HIS 131 HD2 HIS 131 11.911 -21.754 8.152 986 HE1 HIS 131 HE1 HIS 131 12.840 -24.184 4.801 987 HE2 HIS 131 HE2 HIS 131 12.227 -24.160 7.239 Start of MODEL 11 1 H1 MET 1 H1 MET 1 3.424 -9.517 17.212 2 H2 MET 1 H2 MET 1 3.158 -7.854 17.031 3 H3 MET 1 H3 MET 1 4.606 -8.412 17.705 4 HA MET 1 HA MET 1 3.714 -8.888 14.927 5 HB2 MET 1 HB2 MET 1 5.722 -6.977 16.109 6 HB3 MET 1 HB3 MET 1 5.775 -7.458 14.421 7 HG2 MET 1 HG2 MET 1 3.644 -6.472 14.004 8 HG3 MET 1 HG3 MET 1 3.392 -6.179 15.722 9 HE1 MET 1 HE1 MET 1 5.521 -5.183 12.555 10 HE2 MET 1 HE2 MET 1 6.766 -5.625 13.724 11 HE3 MET 1 HE3 MET 1 6.582 -3.944 13.226 12 H LYS 2 H LYS 2 4.363 -10.829 14.391 13 HA LYS 2 HA LYS 2 7.003 -11.763 15.276 14 HB2 LYS 2 HB2 LYS 2 4.687 -13.254 14.020 15 HB3 LYS 2 HB3 LYS 2 6.256 -13.973 14.360 16 HG2 LYS 2 HG2 LYS 2 5.946 -13.524 16.740 17 HG3 LYS 2 HG3 LYS 2 4.366 -12.816 16.396 18 HD2 LYS 2 HD2 LYS 2 3.571 -14.937 15.539 19 HD3 LYS 2 HD3 LYS 2 5.167 -15.654 15.767 20 HE2 LYS 2 HE2 LYS 2 4.969 -15.215 18.194 21 HE3 LYS 2 HE3 LYS 2 3.332 -14.617 17.923 22 HZ1 LYS 2 HZ1 LYS 2 3.337 -16.924 18.644 23 HZ2 LYS 2 HZ2 LYS 2 4.284 -17.363 17.309 24 HZ3 LYS 2 HZ3 LYS 2 2.708 -16.782 17.077 25 H ASP 3 H ASP 3 8.463 -12.607 13.652 26 HA ASP 3 HA ASP 3 8.557 -10.874 11.407 27 HB2 ASP 3 HB2 ASP 3 10.605 -12.252 10.782 28 HB3 ASP 3 HB3 ASP 3 10.651 -11.368 12.297 29 H GLY 4 H GLY 4 7.320 -11.035 9.751 30 HA2 GLY 4 HA2 GLY 4 7.148 -13.458 8.206 31 HA3 GLY 4 HA3 GLY 4 5.642 -12.998 8.995 32 H THR 5 H THR 5 4.672 -12.673 6.962 33 HA THR 5 HA THR 5 5.368 -10.087 5.780 34 HB THR 5 HB THR 5 4.589 -12.395 4.008 35 HG1 THR 5 HG1 THR 5 7.081 -11.781 5.135 36 HG21 THR 5 HG21 THR 5 5.668 -11.013 2.283 37 HG22 THR 5 HG22 THR 5 6.031 -9.787 3.499 38 HG23 THR 5 HG23 THR 5 4.355 -10.148 3.083 39 H TYR 6 H TYR 6 3.669 -8.917 6.181 40 HA TYR 6 HA TYR 6 0.978 -10.090 6.306 41 HB2 TYR 6 HB2 TYR 6 1.855 -7.260 6.953 42 HB3 TYR 6 HB3 TYR 6 0.370 -8.050 7.465 43 HD1 TYR 6 HD1 TYR 6 0.710 -10.176 8.947 44 HD2 TYR 6 HD2 TYR 6 3.581 -7.108 8.430 45 HE1 TYR 6 HE1 TYR 6 1.741 -10.797 11.076 46 HE2 TYR 6 HE2 TYR 6 4.631 -7.729 10.560 47 HH TYR 6 HH TYR 6 4.169 -10.512 12.114 48 H TYR 7 H TYR 7 -0.599 -9.553 4.927 49 HA TYR 7 HA TYR 7 -0.101 -7.406 3.054 50 HB2 TYR 7 HB2 TYR 7 0.558 -8.832 1.447 51 HB3 TYR 7 HB3 TYR 7 0.127 -10.227 2.412 52 HD1 TYR 7 HD2 TYR 7 -2.060 -11.249 2.190 53 HD2 TYR 7 HD1 TYR 7 -0.846 -8.042 -0.322 54 HE1 TYR 7 HE2 TYR 7 -3.848 -11.836 0.576 55 HE2 TYR 7 HE1 TYR 7 -2.611 -8.615 -1.937 56 HH TYR 7 HH TYR 7 -5.188 -10.583 -1.249 57 H ALA 8 H ALA 8 -1.930 -6.352 2.439 58 HA ALA 8 HA ALA 8 -4.512 -7.619 2.910 59 HB1 ALA 8 HB1 ALA 8 -4.097 -6.309 4.932 60 HB2 ALA 8 HB2 ALA 8 -5.423 -5.630 3.984 61 HB3 ALA 8 HB3 ALA 8 -3.830 -4.872 3.946 62 H GLU 9 H GLU 9 -6.113 -6.872 1.586 63 HA GLU 9 HA GLU 9 -5.168 -5.265 -0.694 64 HB2 GLU 9 HB2 GLU 9 -6.705 -6.629 -2.064 65 HB3 GLU 9 HB3 GLU 9 -5.488 -7.612 -1.267 66 HG2 GLU 9 HG2 GLU 9 -7.295 -7.970 0.539 67 HG3 GLU 9 HG3 GLU 9 -8.411 -7.398 -0.699 68 H ALA 10 H ALA 10 -6.636 -3.811 -1.638 69 HA ALA 10 HA ALA 10 -8.135 -2.318 0.192 70 HB1 ALA 10 HB1 ALA 10 -8.229 -2.209 -2.825 71 HB2 ALA 10 HB2 ALA 10 -7.107 -1.325 -1.788 72 HB3 ALA 10 HB3 ALA 10 -8.831 -0.966 -1.726 73 H ASP 11 H ASP 11 -10.396 -1.770 0.136 74 HA ASP 11 HA ASP 11 -11.984 -4.051 0.565 75 HB2 ASP 11 HB2 ASP 11 -12.243 -1.803 1.668 76 HB3 ASP 11 HB3 ASP 11 -12.942 -1.195 0.170 77 H ASP 12 H ASP 12 -12.003 -1.695 -2.084 78 HA ASP 12 HA ASP 12 -13.361 -3.709 -3.753 79 HB2 ASP 12 HB2 ASP 12 -14.475 -1.319 -3.110 80 HB3 ASP 12 HB3 ASP 12 -13.526 -0.821 -4.509 81 H PHE 13 H PHE 13 -12.877 -2.296 -6.191 82 HA PHE 13 HA PHE 13 -9.927 -2.260 -6.358 83 HB2 PHE 13 HB2 PHE 13 -12.008 -2.587 -8.533 84 HB3 PHE 13 HB3 PHE 13 -10.285 -2.447 -8.832 85 HD1 PHE 13 HD2 PHE 13 -12.949 -4.623 -7.506 86 HD2 PHE 13 HD1 PHE 13 -8.837 -4.307 -8.540 87 HE1 PHE 13 HE2 PHE 13 -12.737 -7.072 -7.406 88 HE2 PHE 13 HE1 PHE 13 -8.621 -6.754 -8.451 89 HZ PHE 13 HZ PHE 13 -10.570 -8.139 -7.881 90 H ASP 14 H ASP 14 -9.078 -0.581 -7.895 91 HA ASP 14 HA ASP 14 -10.281 2.003 -7.518 92 HB2 ASP 14 HB2 ASP 14 -7.768 1.418 -7.700 93 HB3 ASP 14 HB3 ASP 14 -8.042 1.313 -9.432 94 H GLU 15 H GLU 15 -10.535 3.437 -9.559 95 HA GLU 15 HA GLU 15 -12.317 2.178 -11.434 96 HB2 GLU 15 HB2 GLU 15 -12.676 4.469 -10.584 97 HB3 GLU 15 HB3 GLU 15 -11.232 4.995 -11.438 98 HG2 GLU 15 HG2 GLU 15 -12.267 4.407 -13.563 99 HG3 GLU 15 HG3 GLU 15 -13.708 3.858 -12.712 100 H SER 16 H SER 16 -8.921 2.951 -11.349 101 HA SER 16 HA SER 16 -8.515 2.378 -14.160 102 HB2 SER 16 HB2 SER 16 -6.365 2.159 -12.068 103 HB3 SER 16 HB3 SER 16 -6.224 2.614 -13.767 104 HG SER 16 HG SER 16 -6.959 4.139 -11.549 105 H GLY 17 H GLY 17 -9.226 0.580 -11.419 106 HA2 GLY 17 HA2 GLY 17 -9.857 -1.653 -11.487 107 HA3 GLY 17 HA3 GLY 17 -8.933 -1.845 -12.972 108 H TRP 18 H TRP 18 -7.979 -0.700 -9.738 109 HA TRP 18 HA TRP 18 -6.211 -3.020 -9.513 110 HB2 TRP 18 HB2 TRP 18 -5.354 -0.135 -9.269 111 HB3 TRP 18 HB3 TRP 18 -4.379 -1.481 -8.688 112 HD1 TRP 18 HD1 TRP 18 -5.212 0.463 -11.803 113 HE1 TRP 18 HE1 TRP 18 -3.923 -0.501 -13.812 114 HE3 TRP 18 HE3 TRP 18 -3.455 -3.838 -9.670 115 HZ2 TRP 18 HZ2 TRP 18 -2.376 -2.769 -14.410 116 HZ3 TRP 18 HZ3 TRP 18 -2.078 -5.343 -11.033 117 HH2 TRP 18 HH2 TRP 18 -1.553 -4.819 -13.350 118 H LYS 19 H LYS 19 -6.655 -4.009 -7.717 119 HA LYS 19 HA LYS 19 -7.791 -2.671 -5.399 120 HB2 LYS 19 HB2 LYS 19 -8.578 -4.911 -6.110 121 HB3 LYS 19 HB3 LYS 19 -6.966 -5.553 -5.845 122 HG2 LYS 19 HG2 LYS 19 -7.176 -5.030 -3.450 123 HG3 LYS 19 HG3 LYS 19 -8.821 -4.456 -3.743 124 HD2 LYS 19 HD2 LYS 19 -7.946 -7.221 -4.532 125 HD3 LYS 19 HD3 LYS 19 -8.522 -6.861 -2.907 126 HE2 LYS 19 HE2 LYS 19 -10.107 -6.237 -5.390 127 HE3 LYS 19 HE3 LYS 19 -10.233 -7.766 -4.519 128 HZ1 LYS 19 HZ1 LYS 19 -11.945 -6.173 -3.860 129 HZ2 LYS 19 HZ2 LYS 19 -10.750 -5.091 -3.333 130 HZ3 LYS 19 HZ3 LYS 19 -10.940 -6.587 -2.563 131 H ASP 20 H ASP 20 -6.357 -1.485 -4.334 132 HA ASP 20 HA ASP 20 -3.564 -1.846 -4.604 133 HB2 ASP 20 HB2 ASP 20 -5.079 -0.109 -2.656 134 HB3 ASP 20 HB3 ASP 20 -3.400 0.091 -3.149 135 H THR 21 H THR 21 -2.142 -2.912 -3.396 136 HA THR 21 HA THR 21 -3.098 -4.034 -0.846 137 HB THR 21 HB THR 21 -1.769 -6.049 -1.237 138 HG1 THR 21 HG1 THR 21 -0.460 -4.635 -2.952 139 HG21 THR 21 HG21 THR 21 -3.010 -7.033 -3.123 140 HG22 THR 21 HG22 THR 21 -3.572 -5.422 -3.576 141 HG23 THR 21 HG23 THR 21 -4.059 -6.125 -2.032 142 H VAL 22 H VAL 22 -1.768 -3.913 0.865 143 HA VAL 22 HA VAL 22 0.867 -2.673 0.441 144 HB VAL 22 HB VAL 22 -0.946 -2.297 2.845 145 HG11 VAL 22 HG11 VAL 22 0.729 -0.707 3.633 146 HG12 VAL 22 HG12 VAL 22 1.744 -1.072 2.237 147 HG13 VAL 22 HG13 VAL 22 1.433 -2.315 3.450 148 HG21 VAL 22 HG21 VAL 22 -1.704 -1.042 0.881 149 HG22 VAL 22 HG22 VAL 22 -0.096 -0.336 0.710 150 HG23 VAL 22 HG23 VAL 22 -1.079 0.040 2.127 151 H THR 23 H THR 23 2.386 -4.036 0.733 152 HA THR 23 HA THR 23 1.966 -6.387 2.417 153 HB THR 23 HB THR 23 4.131 -5.886 0.364 154 HG1 THR 23 HG1 THR 23 2.746 -6.474 -1.122 155 HG21 THR 23 HG21 THR 23 4.651 -7.632 2.007 156 HG22 THR 23 HG22 THR 23 4.381 -8.325 0.407 157 HG23 THR 23 HG23 THR 23 3.124 -8.434 1.639 158 H ILE 24 H ILE 24 2.785 -6.267 4.393 159 HA ILE 24 HA ILE 24 5.017 -4.468 4.952 160 HB ILE 24 HB ILE 24 3.171 -5.883 6.887 161 HG12 ILE 24 HG12 ILE 24 2.007 -4.234 5.433 162 HG13 ILE 24 HG13 ILE 24 1.980 -3.797 7.138 163 HG21 ILE 24 HG21 ILE 24 4.043 -4.306 8.556 164 HG22 ILE 24 HG22 ILE 24 5.169 -3.671 7.357 165 HG23 ILE 24 HG23 ILE 24 5.310 -5.344 7.899 166 HD11 ILE 24 HD11 ILE 24 3.791 -2.616 5.041 167 HD12 ILE 24 HD12 ILE 24 3.752 -2.161 6.746 168 HD13 ILE 24 HD13 ILE 24 2.349 -1.859 5.719 169 H GLU 25 H GLU 25 6.963 -5.406 4.905 170 HA GLU 25 HA GLU 25 7.228 -8.225 5.600 171 HB2 GLU 25 HB2 GLU 25 8.329 -7.633 3.553 172 HB3 GLU 25 HB3 GLU 25 9.142 -6.273 4.315 173 HG2 GLU 25 HG2 GLU 25 10.465 -7.786 5.656 174 HG3 GLU 25 HG3 GLU 25 9.644 -9.184 4.964 175 H VAL 26 H VAL 26 7.731 -8.794 7.527 176 HA VAL 26 HA VAL 26 9.183 -6.930 9.263 177 HB VAL 26 HB VAL 26 6.885 -8.791 9.894 178 HG11 VAL 26 HG11 VAL 26 7.180 -8.362 12.269 179 HG12 VAL 26 HG12 VAL 26 8.674 -7.482 11.939 180 HG13 VAL 26 HG13 VAL 26 8.582 -9.215 11.620 181 HG21 VAL 26 HG21 VAL 26 6.374 -6.515 9.204 182 HG22 VAL 26 HG22 VAL 26 7.420 -5.885 10.478 183 HG23 VAL 26 HG23 VAL 26 5.954 -6.771 10.898 184 H LYS 27 H LYS 27 10.989 -7.596 10.133 185 HA LYS 27 HA LYS 27 11.656 -10.445 10.216 186 HB2 LYS 27 HB2 LYS 27 12.653 -9.568 8.153 187 HB3 LYS 27 HB3 LYS 27 13.396 -8.257 9.050 188 HG2 LYS 27 HG2 LYS 27 14.546 -10.174 10.366 189 HG3 LYS 27 HG3 LYS 27 14.123 -11.141 8.953 190 HD2 LYS 27 HD2 LYS 27 16.329 -10.301 8.612 191 HD3 LYS 27 HD3 LYS 27 15.247 -9.398 7.544 192 HE2 LYS 27 HE2 LYS 27 15.160 -7.586 9.202 193 HE3 LYS 27 HE3 LYS 27 16.275 -8.484 10.227 194 HZ1 LYS 27 HZ1 LYS 27 17.394 -6.777 8.956 195 HZ2 LYS 27 HZ2 LYS 27 16.867 -7.472 7.505 196 HZ3 LYS 27 HZ3 LYS 27 17.942 -8.314 8.505 197 H ASN 28 H ASN 28 12.505 -10.956 12.119 198 HA ASN 28 HA ASN 28 13.230 -10.870 14.248 199 HB2 ASN 28 HB2 ASN 28 14.609 -8.348 13.304 200 HB3 ASN 28 HB3 ASN 28 14.851 -9.053 14.898 201 HD21 ASN 28 HD21 ASN 28 16.767 -8.630 12.751 202 HD22 ASN 28 HD22 ASN 28 17.421 -10.187 12.376 203 H GLY 29 H GLY 29 10.661 -9.962 13.743 204 HA2 GLY 29 HA2 GLY 29 8.949 -9.246 15.112 205 HA3 GLY 29 HA3 GLY 29 10.146 -8.605 16.213 206 H LYS 30 H LYS 30 11.016 -7.136 13.453 207 HA LYS 30 HA LYS 30 9.100 -4.927 13.833 208 HB2 LYS 30 HB2 LYS 30 11.102 -3.373 13.560 209 HB3 LYS 30 HB3 LYS 30 10.947 -4.215 15.095 210 HG2 LYS 30 HG2 LYS 30 12.594 -5.884 14.295 211 HG3 LYS 30 HG3 LYS 30 12.807 -4.916 12.832 212 HD2 LYS 30 HD2 LYS 30 13.811 -3.170 13.988 213 HD3 LYS 30 HD3 LYS 30 13.135 -3.681 15.537 214 HE2 LYS 30 HE2 LYS 30 15.206 -5.231 13.988 215 HE3 LYS 30 HE3 LYS 30 15.579 -4.116 15.303 216 HZ1 LYS 30 HZ1 LYS 30 13.887 -6.550 15.530 217 HZ2 LYS 30 HZ2 LYS 30 14.253 -5.482 16.791 218 HZ3 LYS 30 HZ3 LYS 30 15.484 -6.406 16.078 219 H ILE 31 H ILE 31 9.032 -3.350 12.063 220 HA ILE 31 HA ILE 31 8.865 -4.675 9.546 221 HB ILE 31 HB ILE 31 8.668 -1.697 10.067 222 HG12 ILE 31 HG12 ILE 31 6.464 -3.778 10.011 223 HG13 ILE 31 HG13 ILE 31 7.071 -2.984 11.458 224 HG21 ILE 31 HG21 ILE 31 8.984 -2.226 7.721 225 HG22 ILE 31 HG22 ILE 31 7.337 -1.660 8.003 226 HG23 ILE 31 HG23 ILE 31 7.651 -3.381 7.781 227 HD11 ILE 31 HD11 ILE 31 4.952 -2.032 10.717 228 HD12 ILE 31 HD12 ILE 31 5.681 -1.614 9.165 229 HD13 ILE 31 HD13 ILE 31 6.254 -0.843 10.645 230 H VAL 32 H VAL 32 10.390 -4.923 8.061 231 HA VAL 32 HA VAL 32 12.749 -3.179 8.231 232 HB VAL 32 HB VAL 32 14.055 -5.031 7.223 233 HG11 VAL 32 HG11 VAL 32 14.169 -6.404 9.244 234 HG12 VAL 32 HG12 VAL 32 12.642 -5.715 9.795 235 HG13 VAL 32 HG13 VAL 32 14.063 -4.685 9.626 236 HG21 VAL 32 HG21 VAL 32 13.110 -7.314 7.259 237 HG22 VAL 32 HG22 VAL 32 12.304 -6.257 6.097 238 HG23 VAL 32 HG23 VAL 32 11.527 -6.625 7.636 239 H SER 33 H SER 33 10.155 -4.220 6.287 240 HA SER 33 HA SER 33 11.014 -2.570 4.075 241 HB2 SER 33 HB2 SER 33 10.414 -5.499 3.573 242 HB3 SER 33 HB3 SER 33 10.760 -4.283 2.351 243 HG SER 33 HG SER 33 12.449 -5.829 3.713 244 H VAL 34 H VAL 34 9.296 -2.316 2.502 245 HA VAL 34 HA VAL 34 6.730 -3.508 3.028 246 HB VAL 34 HB VAL 34 6.491 -1.634 4.499 247 HG11 VAL 34 HG11 VAL 34 8.256 -0.234 3.683 248 HG12 VAL 34 HG12 VAL 34 6.749 0.680 3.767 249 HG13 VAL 34 HG13 VAL 34 7.345 0.093 2.212 250 HG21 VAL 34 HG21 VAL 34 4.625 -0.384 3.510 251 HG22 VAL 34 HG22 VAL 34 4.499 -2.116 3.196 252 HG23 VAL 34 HG23 VAL 34 5.046 -1.026 1.922 253 H ASP 35 H ASP 35 5.593 -3.770 1.301 254 HA ASP 35 HA ASP 35 6.818 -3.094 -1.282 255 HB2 ASP 35 HB2 ASP 35 6.953 -5.458 -0.763 256 HB3 ASP 35 HB3 ASP 35 5.247 -5.513 -0.356 257 H TRP 36 H TRP 36 5.626 -2.103 -2.773 258 HA TRP 36 HA TRP 36 2.792 -1.650 -2.197 259 HB2 TRP 36 HB2 TRP 36 3.335 0.177 -4.144 260 HB3 TRP 36 HB3 TRP 36 3.414 0.512 -2.422 261 HD1 TRP 36 HD1 TRP 36 5.791 0.918 -1.359 262 HE1 TRP 36 HE1 TRP 36 8.120 1.365 -2.350 263 HE3 TRP 36 HE3 TRP 36 4.877 -0.381 -6.222 264 HZ2 TRP 36 HZ2 TRP 36 9.396 1.203 -4.849 265 HZ3 TRP 36 HZ3 TRP 36 6.713 -0.198 -7.845 266 HH2 TRP 36 HH2 TRP 36 8.922 0.577 -7.173 267 H ASN 37 H ASN 37 1.366 -2.651 -3.369 268 HA ASN 37 HA ASN 37 1.928 -3.443 -6.129 269 HB2 ASN 37 HB2 ASN 37 2.585 -5.221 -4.242 270 HB3 ASN 37 HB3 ASN 37 0.862 -5.546 -4.268 271 HD21 ASN 37 HD21 ASN 37 3.015 -7.305 -4.938 272 HD22 ASN 37 HD22 ASN 37 2.782 -7.784 -6.578 273 H ALA 38 H ALA 38 -0.202 -4.609 -6.966 274 HA ALA 38 HA ALA 38 -2.655 -4.054 -5.563 275 HB1 ALA 38 HB1 ALA 38 -3.647 -2.659 -7.317 276 HB2 ALA 38 HB2 ALA 38 -2.111 -2.648 -8.185 277 HB3 ALA 38 HB3 ALA 38 -2.239 -1.869 -6.607 278 H ILE 39 H ILE 39 -4.526 -5.086 -6.730 279 HA ILE 39 HA ILE 39 -3.576 -7.160 -8.620 280 HB ILE 39 HB ILE 39 -6.143 -7.453 -7.056 281 HG12 ILE 39 HG12 ILE 39 -3.455 -8.491 -6.112 282 HG13 ILE 39 HG13 ILE 39 -4.208 -7.042 -5.456 283 HG21 ILE 39 HG21 ILE 39 -4.185 -9.412 -8.279 284 HG22 ILE 39 HG22 ILE 39 -5.757 -8.953 -8.939 285 HG23 ILE 39 HG23 ILE 39 -5.666 -9.850 -7.423 286 HD11 ILE 39 HD11 ILE 39 -6.112 -8.385 -4.700 287 HD12 ILE 39 HD12 ILE 39 -4.588 -8.950 -4.012 288 HD13 ILE 39 HD13 ILE 39 -5.336 -9.832 -5.345 289 H ASN 40 H ASN 40 -4.714 -7.473 -10.555 290 HA ASN 40 HA ASN 40 -6.050 -5.087 -11.468 291 HB2 ASN 40 HB2 ASN 40 -4.320 -6.274 -12.789 292 HB3 ASN 40 HB3 ASN 40 -5.425 -7.631 -12.973 293 HD21 ASN 40 HD21 ASN 40 -4.905 -4.260 -13.738 294 HD22 ASN 40 HD22 ASN 40 -5.891 -4.240 -15.155 295 H LYS 41 H LYS 41 -8.067 -4.773 -12.091 296 HA LYS 41 HA LYS 41 -10.154 -6.361 -10.942 297 HB2 LYS 41 HB2 LYS 41 -10.114 -3.879 -10.976 298 HB3 LYS 41 HB3 LYS 41 -10.300 -3.919 -12.718 299 HG2 LYS 41 HG2 LYS 41 -12.501 -5.032 -12.397 300 HG3 LYS 41 HG3 LYS 41 -12.299 -4.811 -10.656 301 HD2 LYS 41 HD2 LYS 41 -12.090 -2.377 -11.027 302 HD3 LYS 41 HD3 LYS 41 -12.403 -2.634 -12.741 303 HE2 LYS 41 HE2 LYS 41 -14.286 -3.351 -10.496 304 HE3 LYS 41 HE3 LYS 41 -14.412 -1.914 -11.508 305 HZ1 LYS 41 HZ1 LYS 41 -15.898 -3.618 -12.291 306 HZ2 LYS 41 HZ2 LYS 41 -14.630 -4.733 -12.425 307 HZ3 LYS 41 HZ3 LYS 41 -14.677 -3.376 -13.439 308 H ASP 42 H ASP 42 -8.970 -5.796 -14.200 309 HA ASP 42 HA ASP 42 -11.286 -6.608 -15.609 310 HB2 ASP 42 HB2 ASP 42 -9.415 -5.207 -16.516 311 HB3 ASP 42 HB3 ASP 42 -8.429 -6.661 -16.595 312 H GLY 43 H GLY 43 -8.522 -8.323 -14.397 313 HA2 GLY 43 HA2 GLY 43 -9.226 -10.687 -13.772 314 HA3 GLY 43 HA3 GLY 43 -9.539 -10.847 -15.499 315 H GLY 44 H GLY 44 -6.939 -9.153 -13.843 316 HA2 GLY 44 HA2 GLY 44 -5.034 -10.815 -15.345 317 HA3 GLY 44 HA3 GLY 44 -4.770 -9.124 -14.941 318 H ASP 45 H ASP 45 -2.791 -9.816 -14.066 319 HA ASP 45 HA ASP 45 -2.914 -11.334 -11.568 320 HB2 ASP 45 HB2 ASP 45 -0.605 -10.510 -13.338 321 HB3 ASP 45 HB3 ASP 45 -0.403 -11.342 -11.802 322 H ASP 46 H ASP 46 -0.413 -10.168 -10.622 323 HA ASP 46 HA ASP 46 -1.452 -7.898 -9.192 324 HB2 ASP 46 HB2 ASP 46 1.352 -9.013 -9.221 325 HB3 ASP 46 HB3 ASP 46 0.690 -7.912 -8.021 326 H LYS 47 H LYS 47 -0.057 -5.924 -8.970 327 HA LYS 47 HA LYS 47 0.458 -4.574 -11.365 328 HB2 LYS 47 HB2 LYS 47 0.024 -3.487 -9.187 329 HB3 LYS 47 HB3 LYS 47 1.576 -4.052 -8.591 330 HG2 LYS 47 HG2 LYS 47 1.943 -1.820 -9.125 331 HG3 LYS 47 HG3 LYS 47 2.600 -2.693 -10.508 332 HD2 LYS 47 HD2 LYS 47 1.385 -0.937 -11.457 333 HD3 LYS 47 HD3 LYS 47 0.304 -2.325 -11.588 334 HE2 LYS 47 HE2 LYS 47 -0.922 -1.579 -9.620 335 HE3 LYS 47 HE3 LYS 47 0.193 -0.224 -9.418 336 HZ1 LYS 47 HZ1 LYS 47 -1.810 0.520 -10.508 337 HZ2 LYS 47 HZ2 LYS 47 -1.644 -0.665 -11.707 338 HZ3 LYS 47 HZ3 LYS 47 -0.515 0.590 -11.607 339 H ASP 48 H ASP 48 2.635 -6.259 -9.142 340 HA ASP 48 HA ASP 48 5.046 -5.826 -10.570 341 HB2 ASP 48 HB2 ASP 48 5.053 -6.477 -8.213 342 HB3 ASP 48 HB3 ASP 48 4.277 -8.005 -8.611 343 H THR 49 H THR 49 2.740 -8.539 -10.544 344 HA THR 49 HA THR 49 4.300 -10.218 -12.217 345 HB THR 49 HB THR 49 1.330 -10.502 -11.781 346 HG1 THR 49 HG1 THR 49 1.730 -11.148 -9.740 347 HG21 THR 49 HG21 THR 49 2.428 -12.095 -13.325 348 HG22 THR 49 HG22 THR 49 1.849 -12.895 -11.864 349 HG23 THR 49 HG23 THR 49 3.565 -12.529 -12.050 350 H LEU 50 H LEU 50 1.603 -8.001 -12.878 351 HA LEU 50 HA LEU 50 1.370 -8.722 -15.622 352 HB2 LEU 50 HB2 LEU 50 0.325 -6.394 -14.056 353 HB3 LEU 50 HB3 LEU 50 0.159 -6.457 -15.800 354 HG LEU 50 HG LEU 50 -0.969 -8.428 -13.813 355 HD11 LEU 50 HD11 LEU 50 -2.185 -6.331 -13.950 356 HD12 LEU 50 HD12 LEU 50 -3.115 -7.655 -14.652 357 HD13 LEU 50 HD13 LEU 50 -2.294 -6.501 -15.703 358 HD21 LEU 50 HD21 LEU 50 -1.985 -9.542 -15.733 359 HD22 LEU 50 HD22 LEU 50 -0.225 -9.594 -15.825 360 HD23 LEU 50 HD23 LEU 50 -1.128 -8.455 -16.826 361 H SER 51 H SER 51 3.324 -6.284 -13.962 362 HA SER 51 HA SER 51 4.256 -5.016 -16.322 363 HB2 SER 51 HB2 SER 51 5.595 -5.276 -13.618 364 HB3 SER 51 HB3 SER 51 6.119 -4.192 -14.907 365 HG SER 51 HG SER 51 3.793 -4.098 -13.327 366 H ARG 52 H ARG 52 5.204 -7.947 -14.666 367 HA ARG 52 HA ARG 52 7.635 -8.417 -16.078 368 HB2 ARG 52 HB2 ARG 52 7.078 -9.465 -13.902 369 HB3 ARG 52 HB3 ARG 52 5.797 -10.378 -14.684 370 HG2 ARG 52 HG2 ARG 52 7.530 -11.429 -16.132 371 HG3 ARG 52 HG3 ARG 52 8.758 -10.625 -15.154 372 HD2 ARG 52 HD2 ARG 52 7.801 -11.754 -13.153 373 HD3 ARG 52 HD3 ARG 52 6.732 -12.653 -14.232 374 HE ARG 52 HE ARG 52 9.549 -12.847 -14.863 375 HH11 ARG 52 HH11 ARG 52 6.853 -14.314 -13.145 376 HH12 ARG 52 HH12 ARG 52 7.628 -15.858 -13.001 377 HH21 ARG 52 HH21 ARG 52 10.556 -14.851 -14.672 378 HH22 ARG 52 HH22 ARG 52 9.750 -16.160 -13.863 379 H ASN 53 H ASN 53 4.272 -9.434 -16.538 380 HA ASN 53 HA ASN 53 4.900 -11.171 -18.756 381 HB2 ASN 53 HB2 ASN 53 2.282 -10.305 -17.518 382 HB3 ASN 53 HB3 ASN 53 2.390 -11.408 -18.885 383 HD21 ASN 53 HD21 ASN 53 1.324 -11.853 -16.204 384 HD22 ASN 53 HD22 ASN 53 2.222 -13.178 -15.552 385 H GLY 54 H GLY 54 4.176 -7.875 -18.381 386 HA2 GLY 54 HA2 GLY 54 4.246 -6.212 -20.017 387 HA3 GLY 54 HA3 GLY 54 4.186 -7.458 -21.251 388 H GLY 55 H GLY 55 1.867 -7.608 -18.720 389 HA2 GLY 55 HA2 GLY 55 -0.209 -6.636 -20.580 390 HA3 GLY 55 HA3 GLY 55 -0.451 -7.968 -19.459 391 H TYR 56 H TYR 56 1.263 -5.015 -18.668 392 HA TYR 56 HA TYR 56 -0.497 -4.397 -16.482 393 HB2 TYR 56 HB2 TYR 56 1.933 -3.985 -16.356 394 HB3 TYR 56 HB3 TYR 56 1.832 -2.861 -17.693 395 HD1 TYR 56 HD2 TYR 56 -0.952 -2.189 -15.611 396 HD2 TYR 56 HD1 TYR 56 3.264 -1.700 -15.798 397 HE1 TYR 56 HE2 TYR 56 -1.110 -0.308 -14.043 398 HE2 TYR 56 HE1 TYR 56 3.123 0.174 -14.215 399 HH TYR 56 HH TYR 56 1.559 1.779 -13.383 400 H LYS 57 H LYS 57 -2.464 -4.149 -17.437 401 HA LYS 57 HA LYS 57 -2.858 -1.731 -19.060 402 HB2 LYS 57 HB2 LYS 57 -4.542 -4.241 -18.884 403 HB3 LYS 57 HB3 LYS 57 -4.959 -2.819 -19.826 404 HG2 LYS 57 HG2 LYS 57 -3.058 -3.175 -21.276 405 HG3 LYS 57 HG3 LYS 57 -2.515 -4.522 -20.271 406 HD2 LYS 57 HD2 LYS 57 -4.452 -5.803 -20.820 407 HD3 LYS 57 HD3 LYS 57 -5.187 -4.436 -21.656 408 HE2 LYS 57 HE2 LYS 57 -4.310 -5.975 -23.282 409 HE3 LYS 57 HE3 LYS 57 -3.335 -4.508 -23.298 410 HZ1 LYS 57 HZ1 LYS 57 -1.638 -5.606 -22.056 411 HZ2 LYS 57 HZ2 LYS 57 -2.025 -6.576 -23.387 412 HZ3 LYS 57 HZ3 LYS 57 -2.594 -6.989 -21.847 413 H MET 58 H MET 58 -4.123 -0.186 -18.283 414 HA MET 58 HA MET 58 -5.599 -0.641 -15.807 415 HB2 MET 58 HB2 MET 58 -4.990 1.880 -17.372 416 HB3 MET 58 HB3 MET 58 -6.158 1.851 -16.063 417 HG2 MET 58 HG2 MET 58 -4.147 2.675 -15.154 418 HG3 MET 58 HG3 MET 58 -4.323 1.031 -14.564 419 HE1 MET 58 HE1 MET 58 -2.420 3.422 -17.017 420 HE2 MET 58 HE2 MET 58 -3.078 2.233 -18.142 421 HE3 MET 58 HE3 MET 58 -1.340 2.306 -17.856 422 H VAL 59 H VAL 59 -7.843 -0.487 -15.691 423 HA VAL 59 HA VAL 59 -9.156 -1.191 -18.142 424 HB VAL 59 HB VAL 59 -11.117 -1.726 -16.901 425 HG11 VAL 59 HG11 VAL 59 -10.285 -3.249 -15.171 426 HG12 VAL 59 HG12 VAL 59 -8.704 -2.473 -15.262 427 HG13 VAL 59 HG13 VAL 59 -9.342 -3.343 -16.659 428 HG21 VAL 59 HG21 VAL 59 -11.419 -1.240 -14.526 429 HG22 VAL 59 HG22 VAL 59 -11.302 0.236 -15.485 430 HG23 VAL 59 HG23 VAL 59 -9.923 -0.305 -14.527 431 H GLU 60 H GLU 60 -8.617 1.664 -16.437 432 HA GLU 60 HA GLU 60 -10.022 3.116 -18.522 433 HB2 GLU 60 HB2 GLU 60 -10.763 3.195 -15.709 434 HB3 GLU 60 HB3 GLU 60 -10.285 4.783 -16.296 435 HG2 GLU 60 HG2 GLU 60 -12.425 3.008 -17.457 436 HG3 GLU 60 HG3 GLU 60 -12.674 4.493 -16.539 437 H TYR 61 H TYR 61 -8.708 4.533 -19.424 438 HA TYR 61 HA TYR 61 -6.187 5.219 -18.147 439 HB2 TYR 61 HB2 TYR 61 -7.310 5.962 -20.856 440 HB3 TYR 61 HB3 TYR 61 -5.713 6.420 -20.279 441 HD1 TYR 61 HD2 TYR 61 -3.983 4.674 -19.931 442 HD2 TYR 61 HD1 TYR 61 -7.742 3.787 -21.712 443 HE1 TYR 61 HE2 TYR 61 -3.066 2.570 -20.813 444 HE2 TYR 61 HE1 TYR 61 -6.836 1.688 -22.594 445 HH TYR 61 HH TYR 61 -4.730 0.700 -23.151 446 H GLY 62 H GLY 62 -9.305 6.420 -18.148 447 HA2 GLY 62 HA2 GLY 62 -8.365 9.087 -17.321 448 HA3 GLY 62 HA3 GLY 62 -10.008 8.706 -17.821 449 H GLY 63 H GLY 63 -8.081 6.682 -15.698 450 HA2 GLY 63 HA2 GLY 63 -10.104 6.946 -13.610 451 HA3 GLY 63 HA3 GLY 63 -8.799 5.768 -13.656 452 H ALA 64 H ALA 64 -7.367 6.046 -12.086 453 HA ALA 64 HA ALA 64 -7.112 8.678 -10.855 454 HB1 ALA 64 HB1 ALA 64 -6.030 6.031 -9.900 455 HB2 ALA 64 HB2 ALA 64 -7.548 6.761 -9.382 456 HB3 ALA 64 HB3 ALA 64 -6.018 7.549 -8.999 457 H GLN 65 H GLN 65 -4.960 6.049 -11.850 458 HA GLN 65 HA GLN 65 -2.827 5.923 -12.570 459 HB2 GLN 65 HB2 GLN 65 -3.427 8.720 -13.504 460 HB3 GLN 65 HB3 GLN 65 -1.841 8.007 -13.729 461 HG2 GLN 65 HG2 GLN 65 -3.037 7.749 -15.759 462 HG3 GLN 65 HG3 GLN 65 -2.953 6.160 -15.011 463 HE21 GLN 65 HE21 GLN 65 -4.834 5.176 -14.312 464 HE22 GLN 65 HE22 GLN 65 -6.401 5.756 -14.726 465 H ALA 66 H ALA 66 -3.566 6.703 -9.945 466 HA ALA 66 HA ALA 66 -1.212 8.179 -8.989 467 HB1 ALA 66 HB1 ALA 66 -2.632 8.713 -7.030 468 HB2 ALA 66 HB2 ALA 66 -3.982 7.899 -7.824 469 HB3 ALA 66 HB3 ALA 66 -3.283 9.353 -8.538 470 H GLU 67 H GLU 67 -0.981 5.635 -9.685 471 HA GLU 67 HA GLU 67 -1.830 3.651 -7.850 472 HB2 GLU 67 HB2 GLU 67 0.422 3.360 -9.838 473 HB3 GLU 67 HB3 GLU 67 -0.717 2.137 -9.299 474 HG2 GLU 67 HG2 GLU 67 -1.440 4.517 -11.005 475 HG3 GLU 67 HG3 GLU 67 -1.101 2.900 -11.623 476 H TRP 68 H TRP 68 -0.401 2.255 -6.600 477 HA TRP 68 HA TRP 68 1.594 3.721 -5.179 478 HB2 TRP 68 HB2 TRP 68 0.851 0.791 -4.991 479 HB3 TRP 68 HB3 TRP 68 1.942 1.630 -3.899 480 HD1 TRP 68 HD1 TRP 68 -1.285 0.325 -3.732 481 HE1 TRP 68 HE1 TRP 68 -2.874 1.645 -2.206 482 HE3 TRP 68 HE3 TRP 68 1.335 4.719 -3.390 483 HZ2 TRP 68 HZ2 TRP 68 -3.020 4.203 -1.023 484 HZ3 TRP 68 HZ3 TRP 68 0.393 6.545 -2.046 485 HH2 TRP 68 HH2 TRP 68 -1.738 6.294 -0.887 486 H HIS 69 H HIS 69 3.178 4.295 -6.482 487 HA HIS 69 HA HIS 69 5.232 2.431 -7.187 488 HB2 HIS 69 HB2 HIS 69 3.488 2.277 -9.077 489 HB3 HIS 69 HB3 HIS 69 3.932 3.929 -9.475 490 HD1 HIS 69 HD1 HIS 69 5.995 4.267 -10.892 491 HD2 HIS 69 HD2 HIS 69 5.570 0.359 -9.529 492 HE1 HIS 69 HE1 HIS 69 7.700 2.919 -12.160 493 HE2 HIS 69 HE2 HIS 69 7.264 0.533 -11.484 494 H GLU 70 H GLU 70 3.944 5.627 -8.160 495 HA GLU 70 HA GLU 70 6.571 6.800 -8.250 496 HB2 GLU 70 HB2 GLU 70 3.852 7.571 -9.053 497 HB3 GLU 70 HB3 GLU 70 4.835 8.910 -8.478 498 HG2 GLU 70 HG2 GLU 70 4.921 8.582 -10.924 499 HG3 GLU 70 HG3 GLU 70 6.494 8.491 -10.142 500 H GLN 71 H GLN 71 3.655 7.979 -6.539 501 HA GLN 71 HA GLN 71 5.160 9.494 -4.660 502 HB2 GLN 71 HB2 GLN 71 2.271 8.696 -4.810 503 HB3 GLN 71 HB3 GLN 71 2.900 9.493 -3.381 504 HG2 GLN 71 HG2 GLN 71 1.943 11.193 -4.677 505 HG3 GLN 71 HG3 GLN 71 3.682 11.340 -4.918 506 HE21 GLN 71 HE21 GLN 71 0.661 10.423 -6.372 507 HE22 GLN 71 HE22 GLN 71 1.218 10.404 -8.005 508 H ALA 72 H ALA 72 4.071 6.232 -4.764 509 HA ALA 72 HA ALA 72 3.926 5.663 -2.014 510 HB1 ALA 72 HB1 ALA 72 2.838 4.300 -3.697 511 HB2 ALA 72 HB2 ALA 72 3.896 3.340 -2.659 512 HB3 ALA 72 HB3 ALA 72 4.410 3.775 -4.290 513 H GLU 73 H GLU 73 6.696 5.701 -4.202 514 HA GLU 73 HA GLU 73 8.460 4.137 -2.665 515 HB2 GLU 73 HB2 GLU 73 8.908 4.932 -4.999 516 HB3 GLU 73 HB3 GLU 73 9.201 6.541 -4.351 517 HG2 GLU 73 HG2 GLU 73 10.938 5.348 -2.842 518 HG3 GLU 73 HG3 GLU 73 10.824 4.056 -4.030 519 H LYS 74 H LYS 74 7.583 7.540 -2.427 520 HA LYS 74 HA LYS 74 9.511 8.148 -0.399 521 HB2 LYS 74 HB2 LYS 74 7.013 9.717 -1.051 522 HB3 LYS 74 HB3 LYS 74 8.465 10.310 -0.263 523 HG2 LYS 74 HG2 LYS 74 8.097 9.568 -3.155 524 HG3 LYS 74 HG3 LYS 74 8.469 11.149 -2.480 525 HD2 LYS 74 HD2 LYS 74 10.299 8.745 -2.468 526 HD3 LYS 74 HD3 LYS 74 10.415 10.118 -3.565 527 HE2 LYS 74 HE2 LYS 74 10.912 11.596 -1.711 528 HE3 LYS 74 HE3 LYS 74 10.682 10.274 -0.566 529 HZ1 LYS 74 HZ1 LYS 74 12.540 9.116 -1.620 530 HZ2 LYS 74 HZ2 LYS 74 13.014 10.611 -0.984 531 HZ3 LYS 74 HZ3 LYS 74 12.785 10.436 -2.654 532 H VAL 75 H VAL 75 6.179 7.166 -0.492 533 HA VAL 75 HA VAL 75 5.570 7.678 2.245 534 HB VAL 75 HB VAL 75 4.096 5.948 0.240 535 HG11 VAL 75 HG11 VAL 75 2.138 6.347 1.630 536 HG12 VAL 75 HG12 VAL 75 3.139 7.228 2.786 537 HG13 VAL 75 HG13 VAL 75 3.403 5.504 2.525 538 HG21 VAL 75 HG21 VAL 75 2.670 7.898 -0.113 539 HG22 VAL 75 HG22 VAL 75 4.342 8.227 -0.568 540 HG23 VAL 75 HG23 VAL 75 3.704 8.849 0.955 541 H GLU 76 H GLU 76 6.606 4.798 0.439 542 HA GLU 76 HA GLU 76 6.288 2.962 2.568 543 HB2 GLU 76 HB2 GLU 76 7.639 1.413 1.254 544 HB3 GLU 76 HB3 GLU 76 6.422 2.192 0.258 545 HG2 GLU 76 HG2 GLU 76 8.003 2.701 -1.181 546 HG3 GLU 76 HG3 GLU 76 8.713 3.771 0.024 547 H ALA 77 H ALA 77 9.044 4.925 1.515 548 HA ALA 77 HA ALA 77 10.932 3.962 3.355 549 HB1 ALA 77 HB1 ALA 77 11.508 5.315 1.405 550 HB2 ALA 77 HB2 ALA 77 12.153 6.017 2.891 551 HB3 ALA 77 HB3 ALA 77 10.714 6.707 2.140 552 H TYR 78 H TYR 78 8.415 6.376 3.605 553 HA TYR 78 HA TYR 78 9.129 7.380 6.162 554 HB2 TYR 78 HB2 TYR 78 7.589 8.405 4.351 555 HB3 TYR 78 HB3 TYR 78 6.332 7.396 5.066 556 HD1 TYR 78 HD2 TYR 78 8.757 10.090 5.784 557 HD2 TYR 78 HD1 TYR 78 5.241 8.066 7.055 558 HE1 TYR 78 HE2 TYR 78 8.386 11.817 7.482 559 HE2 TYR 78 HE1 TYR 78 4.863 9.793 8.759 560 HH TYR 78 HH TYR 78 6.694 12.727 8.839 561 H LEU 79 H LEU 79 7.082 4.726 5.059 562 HA LEU 79 HA LEU 79 5.899 4.069 7.541 563 HB2 LEU 79 HB2 LEU 79 5.178 3.302 5.243 564 HB3 LEU 79 HB3 LEU 79 6.529 2.202 5.247 565 HG LEU 79 HG LEU 79 4.174 1.300 5.778 566 HD11 LEU 79 HD11 LEU 79 6.473 0.624 7.605 567 HD12 LEU 79 HD12 LEU 79 6.141 -0.075 6.018 568 HD13 LEU 79 HD13 LEU 79 5.031 -0.362 7.356 569 HD21 LEU 79 HD21 LEU 79 3.536 1.364 8.140 570 HD22 LEU 79 HD22 LEU 79 3.527 2.968 7.405 571 HD23 LEU 79 HD23 LEU 79 4.859 2.490 8.459 572 H VAL 80 H VAL 80 8.867 2.974 5.937 573 HA VAL 80 HA VAL 80 9.668 1.106 7.875 574 HB VAL 80 HB VAL 80 11.438 2.727 6.016 575 HG11 VAL 80 HG11 VAL 80 13.094 0.949 6.304 576 HG12 VAL 80 HG12 VAL 80 12.043 0.154 7.477 577 HG13 VAL 80 HG13 VAL 80 12.733 1.735 7.843 578 HG21 VAL 80 HG21 VAL 80 9.767 1.418 4.815 579 HG22 VAL 80 HG22 VAL 80 10.256 -0.032 5.693 580 HG23 VAL 80 HG23 VAL 80 11.379 0.745 4.577 581 H GLU 81 H GLU 81 10.419 4.617 7.645 582 HA GLU 81 HA GLU 81 12.150 4.516 9.922 583 HB2 GLU 81 HB2 GLU 81 12.262 6.935 9.763 584 HB3 GLU 81 HB3 GLU 81 12.473 6.198 8.183 585 HG2 GLU 81 HG2 GLU 81 10.102 6.716 7.682 586 HG3 GLU 81 HG3 GLU 81 9.996 7.546 9.233 587 H LYS 82 H LYS 82 8.702 4.920 9.570 588 HA LYS 82 HA LYS 82 8.302 5.987 12.211 589 HB2 LYS 82 HB2 LYS 82 6.472 4.846 10.117 590 HB3 LYS 82 HB3 LYS 82 5.883 5.147 11.743 591 HG2 LYS 82 HG2 LYS 82 7.099 7.225 9.936 592 HG3 LYS 82 HG3 LYS 82 5.370 6.962 10.178 593 HD2 LYS 82 HD2 LYS 82 5.709 7.387 12.600 594 HD3 LYS 82 HD3 LYS 82 7.387 7.806 12.252 595 HE2 LYS 82 HE2 LYS 82 6.631 9.604 10.788 596 HE3 LYS 82 HE3 LYS 82 4.954 9.177 11.124 597 HZ1 LYS 82 HZ1 LYS 82 5.662 11.042 12.462 598 HZ2 LYS 82 HZ2 LYS 82 6.931 10.129 13.117 599 HZ3 LYS 82 HZ3 LYS 82 5.325 9.702 13.447 600 H GLN 83 H GLN 83 8.425 2.819 10.741 601 HA GLN 83 HA GLN 83 8.376 0.679 11.478 602 HB2 GLN 83 HB2 GLN 83 8.851 1.976 14.163 603 HB3 GLN 83 HB3 GLN 83 8.721 0.235 13.963 604 HG2 GLN 83 HG2 GLN 83 10.732 1.937 12.514 605 HG3 GLN 83 HG3 GLN 83 11.044 1.130 14.050 606 HE21 GLN 83 HE21 GLN 83 10.414 0.683 10.661 607 HE22 GLN 83 HE22 GLN 83 10.979 -0.957 10.580 608 H ASP 84 H ASP 84 5.934 2.525 11.486 609 HA ASP 84 HA ASP 84 4.096 0.820 12.938 610 HB2 ASP 84 HB2 ASP 84 4.985 2.490 14.593 611 HB3 ASP 84 HB3 ASP 84 4.329 3.772 13.583 612 HA PRO 85 HA PRO 85 1.906 2.058 9.214 613 HB2 PRO 85 HB2 PRO 85 -0.152 0.356 9.468 614 HB3 PRO 85 HB3 PRO 85 1.476 -0.181 9.037 615 HG2 PRO 85 HG2 PRO 85 0.126 -0.224 11.715 616 HG3 PRO 85 HG3 PRO 85 1.031 -1.517 10.898 617 HD2 PRO 85 HD2 PRO 85 2.151 0.045 12.794 618 HD3 PRO 85 HD3 PRO 85 3.075 -0.594 11.423 619 H THR 86 H THR 86 1.037 3.078 12.289 620 HA THR 86 HA THR 86 -1.344 4.366 11.157 621 HB THR 86 HB THR 86 -2.182 2.549 12.538 622 HG1 THR 86 HG1 THR 86 -2.666 5.205 13.154 623 HG21 THR 86 HG21 THR 86 -0.357 2.304 14.123 624 HG22 THR 86 HG22 THR 86 -1.897 2.517 14.957 625 HG23 THR 86 HG23 THR 86 -0.761 3.862 14.847 626 H ASP 87 H ASP 87 1.640 4.955 12.326 627 HA ASP 87 HA ASP 87 0.908 7.359 13.805 628 HB2 ASP 87 HB2 ASP 87 2.864 5.853 14.473 629 HB3 ASP 87 HB3 ASP 87 3.714 6.510 13.077 630 H ILE 88 H ILE 88 -0.071 8.617 12.319 631 HA ILE 88 HA ILE 88 1.518 10.116 10.495 632 HB ILE 88 HB ILE 88 1.215 8.010 9.189 633 HG12 ILE 88 HG12 ILE 88 0.312 9.061 7.096 634 HG13 ILE 88 HG13 ILE 88 -0.163 10.455 8.059 635 HG21 ILE 88 HG21 ILE 88 -1.723 8.671 9.279 636 HG22 ILE 88 HG22 ILE 88 -0.930 7.279 10.016 637 HG23 ILE 88 HG23 ILE 88 -0.985 7.434 8.259 638 HD11 ILE 88 HD11 ILE 88 1.934 10.849 6.898 639 HD12 ILE 88 HD12 ILE 88 2.648 9.447 7.695 640 HD13 ILE 88 HD13 ILE 88 2.169 10.853 8.646 641 H LYS 89 H LYS 89 0.440 11.998 9.819 642 HA LYS 89 HA LYS 89 -2.346 12.310 10.699 643 HB2 LYS 89 HB2 LYS 89 -0.887 13.537 12.231 644 HB3 LYS 89 HB3 LYS 89 -0.129 14.366 10.883 645 HG2 LYS 89 HG2 LYS 89 -1.673 15.848 11.981 646 HG3 LYS 89 HG3 LYS 89 -2.279 15.464 10.374 647 HD2 LYS 89 HD2 LYS 89 -4.134 15.406 11.864 648 HD3 LYS 89 HD3 LYS 89 -3.755 13.733 11.450 649 HE2 LYS 89 HE2 LYS 89 -2.601 13.448 13.568 650 HE3 LYS 89 HE3 LYS 89 -2.870 15.145 13.966 651 HZ1 LYS 89 HZ1 LYS 89 -4.986 13.096 13.591 652 HZ2 LYS 89 HZ2 LYS 89 -5.253 14.731 13.948 653 HZ3 LYS 89 HZ3 LYS 89 -4.472 13.735 15.074 654 H TYR 90 H TYR 90 -3.699 12.910 9.189 655 HA TYR 90 HA TYR 90 -2.653 14.130 6.723 656 HB2 TYR 90 HB2 TYR 90 -5.386 12.883 7.084 657 HB3 TYR 90 HB3 TYR 90 -4.614 13.355 5.577 658 HD1 TYR 90 HD2 TYR 90 -2.275 12.130 5.159 659 HD2 TYR 90 HD1 TYR 90 -5.427 10.678 7.604 660 HE1 TYR 90 HE2 TYR 90 -1.383 9.847 4.943 661 HE2 TYR 90 HE1 TYR 90 -4.545 8.395 7.403 662 HH TYR 90 HH TYR 90 -3.157 7.104 5.907 663 H LYS 91 H LYS 91 -3.282 16.139 6.217 664 HA LYS 91 HA LYS 91 -5.445 17.316 7.823 665 HB2 LYS 91 HB2 LYS 91 -4.056 19.515 6.979 666 HB3 LYS 91 HB3 LYS 91 -3.875 18.770 8.553 667 HG2 LYS 91 HG2 LYS 91 -1.696 19.146 7.774 668 HG3 LYS 91 HG3 LYS 91 -1.971 17.423 7.547 669 HD2 LYS 91 HD2 LYS 91 -0.842 18.257 5.613 670 HD3 LYS 91 HD3 LYS 91 -2.505 17.904 5.147 671 HE2 LYS 91 HE2 LYS 91 -1.837 20.001 4.164 672 HE3 LYS 91 HE3 LYS 91 -3.043 20.312 5.410 673 HZ1 LYS 91 HZ1 LYS 91 -1.243 21.900 5.530 674 HZ2 LYS 91 HZ2 LYS 91 -0.104 20.657 5.706 675 HZ3 LYS 91 HZ3 LYS 91 -1.255 20.933 6.922 676 H ASP 92 H ASP 92 -6.844 16.438 6.192 677 HA ASP 92 HA ASP 92 -7.347 18.248 4.012 678 HB2 ASP 92 HB2 ASP 92 -5.519 16.598 3.273 679 HB3 ASP 92 HB3 ASP 92 -6.723 15.334 3.438 680 H ASN 93 H ASN 93 -9.301 17.132 2.719 681 HA ASN 93 HA ASN 93 -11.163 16.029 4.679 682 HB2 ASN 93 HB2 ASN 93 -11.507 17.116 1.891 683 HB3 ASN 93 HB3 ASN 93 -12.789 16.211 2.687 684 HD21 ASN 93 HD21 ASN 93 -14.163 17.979 2.688 685 HD22 ASN 93 HD22 ASN 93 -13.932 19.328 3.745 686 H ASP 94 H ASP 94 -8.857 14.742 2.751 687 HA ASP 94 HA ASP 94 -10.383 12.245 2.371 688 HB2 ASP 94 HB2 ASP 94 -9.655 13.463 0.190 689 HB3 ASP 94 HB3 ASP 94 -8.024 13.015 0.652 690 H GLY 95 H GLY 95 -7.016 13.411 2.334 691 HA2 GLY 95 HA2 GLY 95 -5.945 12.007 4.418 692 HA3 GLY 95 HA3 GLY 95 -6.076 10.821 3.127 693 H HIS 96 H HIS 96 -5.289 14.277 2.945 694 HA HIS 96 HA HIS 96 -2.796 13.594 1.576 695 HB2 HIS 96 HB2 HIS 96 -4.332 16.172 1.892 696 HB3 HIS 96 HB3 HIS 96 -2.664 16.164 1.333 697 HD1 HIS 96 HD1 HIS 96 -5.259 17.061 -0.325 698 HD2 HIS 96 HD2 HIS 96 -3.198 13.475 -0.690 699 HE1 HIS 96 HE1 HIS 96 -5.687 16.273 -2.673 700 HE2 HIS 96 HE2 HIS 96 -4.239 14.245 -2.936 701 H THR 97 H THR 97 -0.869 13.810 2.487 702 HA THR 97 HA THR 97 -0.875 14.657 5.291 703 HB THR 97 HB THR 97 -0.401 12.306 5.095 704 HG1 THR 97 HG1 THR 97 0.815 12.953 6.720 705 HG21 THR 97 HG21 THR 97 0.422 12.202 2.809 706 HG22 THR 97 HG22 THR 97 1.566 11.440 3.916 707 HG23 THR 97 HG23 THR 97 1.891 13.056 3.282 708 H ASP 98 H ASP 98 0.598 16.023 6.067 709 HA ASP 98 HA ASP 98 2.149 17.588 4.154 710 HB2 ASP 98 HB2 ASP 98 0.608 18.491 6.069 711 HB3 ASP 98 HB3 ASP 98 1.981 18.127 7.108 712 H ALA 99 H ALA 99 2.531 15.027 6.300 713 HA ALA 99 HA ALA 99 5.120 15.738 7.345 714 HB1 ALA 99 HB1 ALA 99 4.941 13.658 8.591 715 HB2 ALA 99 HB2 ALA 99 3.497 13.226 7.674 716 HB3 ALA 99 HB3 ALA 99 3.472 14.626 8.747 717 H ILE 100 H ILE 100 3.906 13.782 4.693 718 HA ILE 100 HA ILE 100 6.545 12.526 4.394 719 HB ILE 100 HB ILE 100 4.056 11.873 2.795 720 HG12 ILE 100 HG12 ILE 100 5.174 10.477 5.242 721 HG13 ILE 100 HG13 ILE 100 3.698 11.429 5.197 722 HG21 ILE 100 HG21 ILE 100 5.277 9.814 2.236 723 HG22 ILE 100 HG22 ILE 100 6.657 10.374 3.181 724 HG23 ILE 100 HG23 ILE 100 6.171 11.248 1.727 725 HD11 ILE 100 HD11 ILE 100 2.691 9.812 3.684 726 HD12 ILE 100 HD12 ILE 100 3.236 9.047 5.178 727 HD13 ILE 100 HD13 ILE 100 4.181 8.865 3.699 728 H SER 101 H SER 101 7.916 13.587 3.218 729 HA SER 101 HA SER 101 7.261 15.551 1.256 730 HB2 SER 101 HB2 SER 101 9.911 14.161 1.728 731 HB3 SER 101 HB3 SER 101 9.660 15.706 0.912 732 HG SER 101 HG SER 101 9.632 15.088 3.624 733 H GLY 102 H GLY 102 6.719 15.245 -0.796 734 HA2 GLY 102 HA2 GLY 102 7.176 14.320 -2.965 735 HA3 GLY 102 HA3 GLY 102 7.675 12.830 -2.185 736 H ALA 103 H ALA 103 5.107 13.358 -0.436 737 HA ALA 103 HA ALA 103 3.418 11.721 -2.167 738 HB1 ALA 103 HB1 ALA 103 3.185 12.352 0.771 739 HB2 ALA 103 HB2 ALA 103 3.908 10.899 0.080 740 HB3 ALA 103 HB3 ALA 103 2.184 11.210 -0.125 741 H THR 104 H THR 104 2.126 12.889 -3.450 742 HA THR 104 HA THR 104 0.679 15.178 -2.288 743 HB THR 104 HB THR 104 0.181 15.782 -4.679 744 HG1 THR 104 HG1 THR 104 2.229 14.466 -5.807 745 HG21 THR 104 HG21 THR 104 3.098 15.616 -3.908 746 HG22 THR 104 HG22 THR 104 1.972 16.885 -3.426 747 HG23 THR 104 HG23 THR 104 2.415 16.696 -5.123 748 H ILE 105 H ILE 105 0.282 11.975 -3.086 749 HA ILE 105 HA ILE 105 -2.489 12.121 -3.949 750 HB ILE 105 HB ILE 105 -0.803 10.477 -4.884 751 HG12 ILE 105 HG12 ILE 105 -3.553 9.993 -4.089 752 HG13 ILE 105 HG13 ILE 105 -2.748 9.617 -5.601 753 HG21 ILE 105 HG21 ILE 105 -0.285 8.453 -3.620 754 HG22 ILE 105 HG22 ILE 105 -1.120 9.116 -2.214 755 HG23 ILE 105 HG23 ILE 105 0.339 9.902 -2.826 756 HD11 ILE 105 HD11 ILE 105 -1.960 7.500 -4.612 757 HD12 ILE 105 HD12 ILE 105 -3.718 7.633 -4.646 758 HD13 ILE 105 HD13 ILE 105 -2.843 7.891 -3.133 759 H LYS 106 H LYS 106 -4.252 11.086 -2.709 760 HA LYS 106 HA LYS 106 -4.377 10.992 0.011 761 HB2 LYS 106 HB2 LYS 106 -6.075 9.111 -0.371 762 HB3 LYS 106 HB3 LYS 106 -6.381 10.652 -1.162 763 HG2 LYS 106 HG2 LYS 106 -5.471 9.750 -3.251 764 HG3 LYS 106 HG3 LYS 106 -5.157 8.222 -2.446 765 HD2 LYS 106 HD2 LYS 106 -7.891 9.433 -2.776 766 HD3 LYS 106 HD3 LYS 106 -7.188 8.235 -3.861 767 HE2 LYS 106 HE2 LYS 106 -8.152 6.713 -2.534 768 HE3 LYS 106 HE3 LYS 106 -6.849 7.077 -1.403 769 HZ1 LYS 106 HZ1 LYS 106 -8.318 8.813 -0.442 770 HZ2 LYS 106 HZ2 LYS 106 -8.905 7.234 -0.245 771 HZ3 LYS 106 HZ3 LYS 106 -9.576 8.244 -1.425 772 H VAL 107 H VAL 107 -2.772 10.288 1.168 773 HA VAL 107 HA VAL 107 -1.454 7.744 0.737 774 HB VAL 107 HB VAL 107 -1.001 10.087 2.599 775 HG11 VAL 107 HG11 VAL 107 1.021 9.046 3.448 776 HG12 VAL 107 HG12 VAL 107 0.651 7.569 2.556 777 HG13 VAL 107 HG13 VAL 107 -0.390 8.081 3.883 778 HG21 VAL 107 HG21 VAL 107 0.662 8.818 0.446 779 HG22 VAL 107 HG22 VAL 107 1.081 10.268 1.363 780 HG23 VAL 107 HG23 VAL 107 -0.308 10.282 0.273 781 H LYS 108 H LYS 108 -4.214 8.793 2.211 782 HA LYS 108 HA LYS 108 -4.366 7.519 4.681 783 HB2 LYS 108 HB2 LYS 108 -6.027 9.159 3.684 784 HB3 LYS 108 HB3 LYS 108 -6.680 7.807 2.763 785 HG2 LYS 108 HG2 LYS 108 -7.054 6.624 4.945 786 HG3 LYS 108 HG3 LYS 108 -6.628 8.136 5.749 787 HD2 LYS 108 HD2 LYS 108 -8.456 9.267 4.623 788 HD3 LYS 108 HD3 LYS 108 -8.873 7.774 3.777 789 HE2 LYS 108 HE2 LYS 108 -8.866 8.097 6.774 790 HE3 LYS 108 HE3 LYS 108 -10.300 8.253 5.760 791 HZ1 LYS 108 HZ1 LYS 108 -8.616 5.810 5.997 792 HZ2 LYS 108 HZ2 LYS 108 -10.018 5.970 5.053 793 HZ3 LYS 108 HZ3 LYS 108 -10.123 6.049 6.738 794 H LYS 109 H LYS 109 -5.029 6.248 1.427 795 HA LYS 109 HA LYS 109 -6.118 3.782 2.282 796 HB2 LYS 109 HB2 LYS 109 -6.607 4.726 0.103 797 HB3 LYS 109 HB3 LYS 109 -4.916 4.623 -0.356 798 HG2 LYS 109 HG2 LYS 109 -4.989 2.276 -0.522 799 HG3 LYS 109 HG3 LYS 109 -6.527 2.176 0.335 800 HD2 LYS 109 HD2 LYS 109 -6.893 1.816 -2.024 801 HD3 LYS 109 HD3 LYS 109 -7.605 3.361 -1.556 802 HE2 LYS 109 HE2 LYS 109 -5.639 4.527 -2.443 803 HE3 LYS 109 HE3 LYS 109 -4.932 2.977 -2.895 804 HZ1 LYS 109 HZ1 LYS 109 -7.500 4.014 -3.966 805 HZ2 LYS 109 HZ2 LYS 109 -6.681 2.609 -4.455 806 HZ3 LYS 109 HZ3 LYS 109 -6.007 4.131 -4.765 807 H PHE 110 H PHE 110 -2.791 4.788 1.560 808 HA PHE 110 HA PHE 110 -1.609 2.238 1.555 809 HB2 PHE 110 HB2 PHE 110 -0.347 4.132 0.744 810 HB3 PHE 110 HB3 PHE 110 -0.457 4.936 2.305 811 HD1 PHE 110 HD1 PHE 110 1.082 2.072 0.527 812 HD2 PHE 110 HD2 PHE 110 1.095 4.516 4.006 813 HE1 PHE 110 HE1 PHE 110 3.200 1.036 1.250 814 HE2 PHE 110 HE2 PHE 110 3.203 3.492 4.736 815 HZ PHE 110 HZ PHE 110 4.250 1.744 3.374 816 H PHE 111 H PHE 111 -1.905 4.584 4.245 817 HA PHE 111 HA PHE 111 -0.786 2.754 6.128 818 HB2 PHE 111 HB2 PHE 111 -2.083 5.441 6.393 819 HB3 PHE 111 HB3 PHE 111 -1.726 4.480 7.823 820 HD1 PHE 111 HD1 PHE 111 0.566 4.069 8.503 821 HD2 PHE 111 HD2 PHE 111 -0.284 6.439 5.074 822 HE1 PHE 111 HE1 PHE 111 2.867 4.928 8.532 823 HE2 PHE 111 HE2 PHE 111 2.023 7.296 5.096 824 HZ PHE 111 HZ PHE 111 3.601 6.541 6.829 825 H ASP 112 H ASP 112 -4.059 3.423 5.104 826 HA ASP 112 HA ASP 112 -5.454 2.170 7.221 827 HB2 ASP 112 HB2 ASP 112 -6.063 3.059 4.492 828 HB3 ASP 112 HB3 ASP 112 -7.012 1.674 5.013 829 H LEU 113 H LEU 113 -4.282 0.958 4.104 830 HA LEU 113 HA LEU 113 -5.191 -1.707 4.579 831 HB2 LEU 113 HB2 LEU 113 -3.752 -0.287 2.430 832 HB3 LEU 113 HB3 LEU 113 -3.453 -2.002 2.541 833 HG LEU 113 HG LEU 113 -5.185 -1.712 0.952 834 HD11 LEU 113 HD11 LEU 113 -7.029 -2.935 1.959 835 HD12 LEU 113 HD12 LEU 113 -6.399 -2.570 3.566 836 HD13 LEU 113 HD13 LEU 113 -5.468 -3.583 2.460 837 HD21 LEU 113 HD21 LEU 113 -5.929 0.537 1.532 838 HD22 LEU 113 HD22 LEU 113 -6.674 -0.076 3.009 839 HD23 LEU 113 HD23 LEU 113 -7.298 -0.570 1.435 840 H ALA 114 H ALA 114 -2.211 0.005 5.169 841 HA ALA 114 HA ALA 114 -0.616 -2.227 5.808 842 HB1 ALA 114 HB1 ALA 114 0.805 -0.648 6.982 843 HB2 ALA 114 HB2 ALA 114 -0.470 0.569 6.912 844 HB3 ALA 114 HB3 ALA 114 0.294 0.004 5.425 845 H GLN 115 H GLN 115 -2.928 -0.353 7.727 846 HA GLN 115 HA GLN 115 -2.368 -1.640 10.224 847 HB2 GLN 115 HB2 GLN 115 -4.718 -0.045 9.224 848 HB3 GLN 115 HB3 GLN 115 -4.678 -0.731 10.842 849 HG2 GLN 115 HG2 GLN 115 -2.807 0.590 11.443 850 HG3 GLN 115 HG3 GLN 115 -2.569 1.124 9.783 851 HE21 GLN 115 HE21 GLN 115 -3.879 2.714 8.940 852 HE22 GLN 115 HE22 GLN 115 -4.934 3.675 9.918 853 H LYS 116 H LYS 116 -4.473 -2.328 7.537 854 HA LYS 116 HA LYS 116 -5.952 -4.425 8.800 855 HB2 LYS 116 HB2 LYS 116 -5.604 -3.634 5.905 856 HB3 LYS 116 HB3 LYS 116 -6.683 -4.912 6.449 857 HG2 LYS 116 HG2 LYS 116 -8.024 -3.365 7.668 858 HG3 LYS 116 HG3 LYS 116 -6.864 -2.065 7.403 859 HD2 LYS 116 HD2 LYS 116 -8.658 -1.697 5.901 860 HD3 LYS 116 HD3 LYS 116 -7.316 -2.312 4.938 861 HE2 LYS 116 HE2 LYS 116 -9.346 -3.379 4.216 862 HE3 LYS 116 HE3 LYS 116 -8.346 -4.573 5.043 863 HZ1 LYS 116 HZ1 LYS 116 -9.703 -4.331 7.004 864 HZ2 LYS 116 HZ2 LYS 116 -10.691 -4.699 5.681 865 HZ3 LYS 116 HZ3 LYS 116 -10.624 -3.115 6.274 866 H ALA 117 H ALA 117 -2.911 -4.202 7.120 867 HA ALA 117 HA ALA 117 -2.578 -6.955 6.512 868 HB1 ALA 117 HB1 ALA 117 -0.258 -6.389 6.114 869 HB2 ALA 117 HB2 ALA 117 -0.461 -4.850 6.953 870 HB3 ALA 117 HB3 ALA 117 -1.306 -5.145 5.430 871 H LEU 118 H LEU 118 -1.527 -4.946 9.271 872 HA LEU 118 HA LEU 118 -0.284 -7.247 10.558 873 HB2 LEU 118 HB2 LEU 118 -0.388 -4.321 11.264 874 HB3 LEU 118 HB3 LEU 118 0.330 -5.523 12.318 875 HG LEU 118 HG LEU 118 1.579 -5.981 9.905 876 HD11 LEU 118 HD11 LEU 118 1.326 -3.018 10.320 877 HD12 LEU 118 HD12 LEU 118 0.626 -3.941 8.990 878 HD13 LEU 118 HD13 LEU 118 2.380 -3.826 9.158 879 HD21 LEU 118 HD21 LEU 118 2.599 -6.000 12.102 880 HD22 LEU 118 HD22 LEU 118 2.475 -4.241 12.185 881 HD23 LEU 118 HD23 LEU 118 3.514 -5.001 10.977 882 H LYS 119 H LYS 119 -3.263 -7.072 10.304 883 HA LYS 119 HA LYS 119 -4.372 -6.390 12.813 884 HB2 LYS 119 HB2 LYS 119 -6.411 -7.483 12.031 885 HB3 LYS 119 HB3 LYS 119 -5.719 -6.424 10.814 886 HG2 LYS 119 HG2 LYS 119 -5.031 -8.221 9.470 887 HG3 LYS 119 HG3 LYS 119 -5.227 -9.390 10.777 888 HD2 LYS 119 HD2 LYS 119 -7.025 -9.587 9.136 889 HD3 LYS 119 HD3 LYS 119 -7.652 -9.073 10.700 890 HE2 LYS 119 HE2 LYS 119 -7.640 -6.728 9.863 891 HE3 LYS 119 HE3 LYS 119 -7.155 -7.340 8.282 892 HZ1 LYS 119 HZ1 LYS 119 -9.197 -8.631 8.198 893 HZ2 LYS 119 HZ2 LYS 119 -9.533 -6.983 8.382 894 HZ3 LYS 119 HZ3 LYS 119 -9.663 -8.026 9.710 895 H ASP 120 H ASP 120 -3.075 -9.425 11.601 896 HA ASP 120 HA ASP 120 -3.886 -10.742 14.089 897 HB2 ASP 120 HB2 ASP 120 -2.822 -11.867 11.500 898 HB3 ASP 120 HB3 ASP 120 -3.155 -12.834 12.931 899 H ALA 121 H ALA 121 -1.187 -9.426 12.518 900 HA ALA 121 HA ALA 121 1.055 -9.454 12.722 901 HB1 ALA 121 HB1 ALA 121 0.412 -9.883 15.626 902 HB2 ALA 121 HB2 ALA 121 0.372 -8.340 14.769 903 HB3 ALA 121 HB3 ALA 121 1.898 -9.202 14.960 904 H GLU 122 H GLU 122 -0.065 -12.106 12.131 905 HA GLU 122 HA GLU 122 2.288 -13.680 12.879 906 HB2 GLU 122 HB2 GLU 122 0.751 -15.678 13.170 907 HB3 GLU 122 HB3 GLU 122 0.741 -14.477 14.449 908 HG2 GLU 122 HG2 GLU 122 -1.494 -15.026 14.198 909 HG3 GLU 122 HG3 GLU 122 -1.335 -13.529 13.294 910 H LYS 123 H LYS 123 1.003 -12.323 10.404 911 HA LYS 123 HA LYS 123 0.255 -14.587 8.754 912 HB2 LYS 123 HB2 LYS 123 0.449 -11.781 7.708 913 HB3 LYS 123 HB3 LYS 123 -0.656 -13.066 7.244 914 HG2 LYS 123 HG2 LYS 123 -1.620 -12.796 9.624 915 HG3 LYS 123 HG3 LYS 123 -0.781 -11.246 9.617 916 HD2 LYS 123 HD2 LYS 123 -2.987 -10.796 8.903 917 HD3 LYS 123 HD3 LYS 123 -1.994 -10.763 7.442 918 HE2 LYS 123 HE2 LYS 123 -4.096 -11.994 7.095 919 HE3 LYS 123 HE3 LYS 123 -2.680 -13.028 6.891 920 HZ1 LYS 123 HZ1 LYS 123 -4.430 -12.891 9.293 921 HZ2 LYS 123 HZ2 LYS 123 -3.026 -13.832 9.175 922 HZ3 LYS 123 HZ3 LYS 123 -4.351 -14.165 8.176 923 H LEU 124 H LEU 124 1.379 -15.364 7.023 924 HA LEU 124 HA LEU 124 3.822 -13.947 6.219 925 HB2 LEU 124 HB2 LEU 124 3.502 -16.918 6.613 926 HB3 LEU 124 HB3 LEU 124 4.763 -16.245 5.602 927 HG LEU 124 HG LEU 124 5.307 -14.884 7.825 928 HD11 LEU 124 HD11 LEU 124 4.076 -17.434 8.856 929 HD12 LEU 124 HD12 LEU 124 3.456 -15.801 9.116 930 HD13 LEU 124 HD13 LEU 124 5.011 -16.274 9.801 931 HD21 LEU 124 HD21 LEU 124 6.857 -16.297 6.623 932 HD22 LEU 124 HD22 LEU 124 6.104 -17.740 7.300 933 HD23 LEU 124 HD23 LEU 124 6.960 -16.613 8.355 934 H GLU 125 H GLU 125 4.113 -13.695 4.095 935 HA GLU 125 HA GLU 125 2.180 -14.923 2.268 936 HB2 GLU 125 HB2 GLU 125 2.255 -12.206 3.098 937 HB3 GLU 125 HB3 GLU 125 2.798 -12.246 1.428 938 HG2 GLU 125 HG2 GLU 125 0.232 -13.451 2.432 939 HG3 GLU 125 HG3 GLU 125 0.372 -11.868 1.667 940 H HIS 126 H HIS 126 3.109 -13.435 0.015 941 HA HIS 126 HA HIS 126 5.679 -14.828 -0.404 942 HB2 HIS 126 HB2 HIS 126 3.491 -14.240 -2.424 943 HB3 HIS 126 HB3 HIS 126 4.992 -15.093 -2.758 944 HD1 HIS 126 HD1 HIS 126 1.595 -15.530 -1.305 945 HD2 HIS 126 HD2 HIS 126 5.090 -17.738 -1.755 946 HE1 HIS 126 HE1 HIS 126 0.957 -17.908 -0.820 947 HE2 HIS 126 HE2 HIS 126 3.105 -19.212 -0.982 948 H HIS 127 H HIS 127 6.656 -13.842 -2.600 949 HA HIS 127 HA HIS 127 7.686 -12.174 -3.723 950 HB2 HIS 127 HB2 HIS 127 5.244 -10.670 -2.834 951 HB3 HIS 127 HB3 HIS 127 6.535 -9.852 -3.699 952 HD1 HIS 127 HD1 HIS 127 3.491 -11.722 -4.222 953 HD2 HIS 127 HD2 HIS 127 7.000 -11.057 -6.355 954 HE1 HIS 127 HE1 HIS 127 2.954 -12.316 -6.609 955 HE2 HIS 127 HE2 HIS 127 5.038 -11.725 -7.906 956 H HIS 128 H HIS 128 8.264 -12.630 -0.794 957 HA HIS 128 HA HIS 128 9.217 -9.933 -0.125 958 HB2 HIS 128 HB2 HIS 128 9.103 -10.445 2.188 959 HB3 HIS 128 HB3 HIS 128 7.600 -11.008 1.487 960 HD1 HIS 128 HD1 HIS 128 10.428 -12.077 3.541 961 HD2 HIS 128 HD2 HIS 128 7.476 -13.923 1.264 962 HE1 HIS 128 HE1 HIS 128 10.386 -14.472 4.299 963 HE2 HIS 128 HE2 HIS 128 8.500 -15.539 3.007 964 H HIS 129 H HIS 129 11.115 -10.150 1.532 965 HA HIS 129 HA HIS 129 13.125 -12.099 0.780 966 HB2 HIS 129 HB2 HIS 129 14.781 -10.122 0.368 967 HB3 HIS 129 HB3 HIS 129 13.704 -10.595 -0.935 968 HD1 HIS 129 HD1 HIS 129 13.561 -8.025 1.908 969 HD2 HIS 129 HD2 HIS 129 12.601 -8.454 -2.109 970 HE1 HIS 129 HE1 HIS 129 12.672 -5.790 1.184 971 HE2 HIS 129 HE2 HIS 129 12.259 -6.023 -1.278 972 H HIS 130 H HIS 130 15.266 -10.471 1.969 973 HA HIS 130 HA HIS 130 14.131 -9.624 4.527 974 HB2 HIS 130 HB2 HIS 130 16.260 -10.467 5.684 975 HB3 HIS 130 HB3 HIS 130 15.062 -11.672 5.244 976 HD1 HIS 130 HD1 HIS 130 15.749 -13.456 3.554 977 HD2 HIS 130 HD2 HIS 130 18.712 -10.619 4.257 978 HE1 HIS 130 HE1 HIS 130 17.845 -14.385 2.510 979 HE2 HIS 130 HE2 HIS 130 19.550 -12.563 2.762 980 H HIS 131 H HIS 131 14.385 -7.540 4.616 981 HA HIS 131 HA HIS 131 17.027 -6.403 4.011 982 HB2 HIS 131 HB2 HIS 131 15.606 -6.123 1.992 983 HB3 HIS 131 HB3 HIS 131 14.426 -5.250 2.956 984 HD1 HIS 131 HD1 HIS 131 14.700 -2.775 3.055 985 HD2 HIS 131 HD2 HIS 131 18.177 -4.690 1.816 986 HE1 HIS 131 HE1 HIS 131 16.283 -0.941 2.391 987 HE2 HIS 131 HE2 HIS 131 18.287 -2.133 1.441 Start of MODEL 12 1 H1 MET 1 H1 MET 1 4.483 -7.738 17.156 2 H2 MET 1 H2 MET 1 3.492 -9.106 17.232 3 H3 MET 1 H3 MET 1 2.856 -7.626 16.700 4 HA MET 1 HA MET 1 3.248 -9.089 14.823 5 HB2 MET 1 HB2 MET 1 5.195 -6.782 15.063 6 HB3 MET 1 HB3 MET 1 4.810 -7.599 13.555 7 HG2 MET 1 HG2 MET 1 2.686 -6.712 13.457 8 HG3 MET 1 HG3 MET 1 2.622 -6.410 15.191 9 HE1 MET 1 HE1 MET 1 5.710 -5.486 12.948 10 HE2 MET 1 HE2 MET 1 5.273 -3.875 12.379 11 HE3 MET 1 HE3 MET 1 4.369 -5.284 11.820 12 H LYS 2 H LYS 2 4.533 -10.616 13.832 13 HA LYS 2 HA LYS 2 7.046 -11.284 15.233 14 HB2 LYS 2 HB2 LYS 2 5.043 -13.119 13.914 15 HB3 LYS 2 HB3 LYS 2 6.602 -13.636 14.535 16 HG2 LYS 2 HG2 LYS 2 5.901 -12.885 16.787 17 HG3 LYS 2 HG3 LYS 2 4.307 -12.515 16.125 18 HD2 LYS 2 HD2 LYS 2 5.622 -15.228 16.053 19 HD3 LYS 2 HD3 LYS 2 4.414 -14.728 17.235 20 HE2 LYS 2 HE2 LYS 2 2.774 -14.428 15.468 21 HE3 LYS 2 HE3 LYS 2 3.986 -14.822 14.249 22 HZ1 LYS 2 HZ1 LYS 2 4.171 -17.030 15.196 23 HZ2 LYS 2 HZ2 LYS 2 2.574 -16.713 14.724 24 HZ3 LYS 2 HZ3 LYS 2 3.002 -16.657 16.364 25 H ASP 3 H ASP 3 8.499 -12.695 13.813 26 HA ASP 3 HA ASP 3 9.151 -11.391 11.387 27 HB2 ASP 3 HB2 ASP 3 10.797 -12.632 12.764 28 HB3 ASP 3 HB3 ASP 3 9.986 -14.139 12.361 29 H GLY 4 H GLY 4 8.026 -11.466 9.614 30 HA2 GLY 4 HA2 GLY 4 7.450 -13.697 8.095 31 HA3 GLY 4 HA3 GLY 4 6.014 -13.391 9.066 32 H THR 5 H THR 5 5.726 -13.249 6.422 33 HA THR 5 HA THR 5 5.825 -10.387 5.753 34 HB THR 5 HB THR 5 5.274 -12.579 3.758 35 HG1 THR 5 HG1 THR 5 7.874 -11.500 4.174 36 HG21 THR 5 HG21 THR 5 6.158 -10.931 2.186 37 HG22 THR 5 HG22 THR 5 6.481 -9.821 3.519 38 HG23 THR 5 HG23 THR 5 4.820 -10.254 3.115 39 H TYR 6 H TYR 6 3.999 -9.320 5.809 40 HA TYR 6 HA TYR 6 1.445 -10.796 5.987 41 HB2 TYR 6 HB2 TYR 6 2.176 -8.070 7.104 42 HB3 TYR 6 HB3 TYR 6 0.651 -8.916 7.361 43 HD1 TYR 6 HD1 TYR 6 0.757 -11.153 8.575 44 HD2 TYR 6 HD2 TYR 6 3.971 -8.389 8.592 45 HE1 TYR 6 HE1 TYR 6 1.682 -12.256 10.547 46 HE2 TYR 6 HE2 TYR 6 4.912 -9.491 10.583 47 HH TYR 6 HH TYR 6 3.860 -12.522 11.655 48 H TYR 7 H TYR 7 -0.256 -10.135 4.589 49 HA TYR 7 HA TYR 7 0.074 -7.533 3.331 50 HB2 TYR 7 HB2 TYR 7 0.370 -8.233 1.223 51 HB3 TYR 7 HB3 TYR 7 0.721 -9.806 1.898 52 HD1 TYR 7 HD2 TYR 7 -1.215 -11.498 2.038 53 HD2 TYR 7 HD1 TYR 7 -1.406 -7.911 -0.241 54 HE1 TYR 7 HE2 TYR 7 -3.062 -12.436 0.718 55 HE2 TYR 7 HE1 TYR 7 -3.249 -8.845 -1.566 56 HH TYR 7 HH TYR 7 -4.110 -11.091 -2.177 57 H ALA 8 H ALA 8 -1.857 -6.524 2.667 58 HA ALA 8 HA ALA 8 -4.332 -8.017 3.122 59 HB1 ALA 8 HB1 ALA 8 -3.983 -6.672 5.141 60 HB2 ALA 8 HB2 ALA 8 -5.376 -6.105 4.216 61 HB3 ALA 8 HB3 ALA 8 -3.851 -5.224 4.143 62 H GLU 9 H GLU 9 -6.005 -7.420 1.741 63 HA GLU 9 HA GLU 9 -5.239 -5.508 -0.347 64 HB2 GLU 9 HB2 GLU 9 -6.916 -6.851 -1.794 65 HB3 GLU 9 HB3 GLU 9 -5.302 -7.471 -1.547 66 HG2 GLU 9 HG2 GLU 9 -6.717 -9.318 -1.384 67 HG3 GLU 9 HG3 GLU 9 -6.277 -8.932 0.274 68 H ALA 10 H ALA 10 -6.835 -4.200 -1.285 69 HA ALA 10 HA ALA 10 -8.638 -3.080 0.613 70 HB1 ALA 10 HB1 ALA 10 -7.524 -1.720 -1.100 71 HB2 ALA 10 HB2 ALA 10 -9.277 -1.566 -1.215 72 HB3 ALA 10 HB3 ALA 10 -8.402 -2.583 -2.363 73 H ASP 11 H ASP 11 -10.923 -3.004 0.488 74 HA ASP 11 HA ASP 11 -12.046 -5.563 0.157 75 HB2 ASP 11 HB2 ASP 11 -13.420 -2.900 0.594 76 HB3 ASP 11 HB3 ASP 11 -14.177 -4.477 0.802 77 H ASP 12 H ASP 12 -12.414 -2.597 -1.726 78 HA ASP 12 HA ASP 12 -13.561 -4.204 -3.919 79 HB2 ASP 12 HB2 ASP 12 -15.122 -2.548 -2.839 80 HB3 ASP 12 HB3 ASP 12 -14.022 -1.264 -3.322 81 H PHE 13 H PHE 13 -12.931 -3.403 -6.100 82 HA PHE 13 HA PHE 13 -10.200 -2.471 -6.261 83 HB2 PHE 13 HB2 PHE 13 -12.258 -2.842 -8.451 84 HB3 PHE 13 HB3 PHE 13 -10.571 -2.441 -8.718 85 HD1 PHE 13 HD1 PHE 13 -8.823 -4.108 -8.300 86 HD2 PHE 13 HD2 PHE 13 -12.949 -5.066 -7.962 87 HE1 PHE 13 HE1 PHE 13 -8.273 -6.504 -8.423 88 HE2 PHE 13 HE2 PHE 13 -12.411 -7.458 -8.080 89 HZ PHE 13 HZ PHE 13 -10.072 -8.183 -8.311 90 H ASP 14 H ASP 14 -9.553 -0.501 -7.345 91 HA ASP 14 HA ASP 14 -11.316 1.694 -6.611 92 HB2 ASP 14 HB2 ASP 14 -9.459 3.042 -6.579 93 HB3 ASP 14 HB3 ASP 14 -8.697 1.487 -6.300 94 H GLU 15 H GLU 15 -10.942 3.683 -8.318 95 HA GLU 15 HA GLU 15 -12.581 3.282 -10.526 96 HB2 GLU 15 HB2 GLU 15 -10.474 5.406 -10.104 97 HB3 GLU 15 HB3 GLU 15 -11.784 5.491 -11.273 98 HG2 GLU 15 HG2 GLU 15 -12.129 5.329 -8.289 99 HG3 GLU 15 HG3 GLU 15 -12.210 6.812 -9.240 100 H SER 16 H SER 16 -8.974 3.352 -10.410 101 HA SER 16 HA SER 16 -8.775 3.030 -13.271 102 HB2 SER 16 HB2 SER 16 -6.356 2.993 -12.950 103 HB3 SER 16 HB3 SER 16 -7.086 4.342 -12.094 104 HG SER 16 HG SER 16 -7.039 2.625 -10.246 105 H GLY 17 H GLY 17 -9.410 0.871 -10.828 106 HA2 GLY 17 HA2 GLY 17 -10.051 -1.322 -11.273 107 HA3 GLY 17 HA3 GLY 17 -9.112 -1.276 -12.756 108 H TRP 18 H TRP 18 -8.064 -0.532 -9.461 109 HA TRP 18 HA TRP 18 -6.566 -3.058 -9.387 110 HB2 TRP 18 HB2 TRP 18 -5.396 -0.354 -8.690 111 HB3 TRP 18 HB3 TRP 18 -4.598 -1.896 -8.435 112 HD1 TRP 18 HD1 TRP 18 -5.416 0.658 -11.158 113 HE1 TRP 18 HE1 TRP 18 -4.060 0.087 -13.267 114 HE3 TRP 18 HE3 TRP 18 -3.493 -3.863 -9.725 115 HZ2 TRP 18 HZ2 TRP 18 -2.388 -1.976 -14.195 116 HZ3 TRP 18 HZ3 TRP 18 -2.019 -5.057 -11.279 117 HH2 TRP 18 HH2 TRP 18 -1.480 -4.135 -13.468 118 H LYS 19 H LYS 19 -6.634 -4.053 -7.470 119 HA LYS 19 HA LYS 19 -7.783 -2.827 -5.105 120 HB2 LYS 19 HB2 LYS 19 -6.944 -5.476 -6.016 121 HB3 LYS 19 HB3 LYS 19 -6.578 -5.185 -4.328 122 HG2 LYS 19 HG2 LYS 19 -8.922 -4.824 -3.860 123 HG3 LYS 19 HG3 LYS 19 -9.317 -4.981 -5.581 124 HD2 LYS 19 HD2 LYS 19 -8.226 -7.268 -5.472 125 HD3 LYS 19 HD3 LYS 19 -8.223 -7.084 -3.719 126 HE2 LYS 19 HE2 LYS 19 -10.743 -6.751 -5.294 127 HE3 LYS 19 HE3 LYS 19 -10.167 -8.358 -4.862 128 HZ1 LYS 19 HZ1 LYS 19 -10.811 -6.166 -2.967 129 HZ2 LYS 19 HZ2 LYS 19 -10.207 -7.684 -2.529 130 HZ3 LYS 19 HZ3 LYS 19 -11.743 -7.556 -3.243 131 H ASP 20 H ASP 20 -6.569 -1.764 -3.567 132 HA ASP 20 HA ASP 20 -3.732 -1.570 -3.682 133 HB2 ASP 20 HB2 ASP 20 -5.377 -1.224 -1.177 134 HB3 ASP 20 HB3 ASP 20 -3.819 -0.504 -1.530 135 H THR 21 H THR 21 -2.225 -2.982 -2.959 136 HA THR 21 HA THR 21 -3.044 -4.568 -0.639 137 HB THR 21 HB THR 21 -1.787 -6.517 -1.272 138 HG1 THR 21 HG1 THR 21 -0.654 -4.822 -3.098 139 HG21 THR 21 HG21 THR 21 -3.468 -5.624 -3.606 140 HG22 THR 21 HG22 THR 21 -4.028 -6.482 -2.170 141 HG23 THR 21 HG23 THR 21 -2.935 -7.277 -3.306 142 H VAL 22 H VAL 22 -1.720 -4.429 1.012 143 HA VAL 22 HA VAL 22 0.832 -3.038 0.568 144 HB VAL 22 HB VAL 22 -0.952 -2.758 3.008 145 HG11 VAL 22 HG11 VAL 22 1.643 -1.388 2.317 146 HG12 VAL 22 HG12 VAL 22 1.430 -2.628 3.552 147 HG13 VAL 22 HG13 VAL 22 0.644 -1.058 3.734 148 HG21 VAL 22 HG21 VAL 22 -0.293 -0.754 0.844 149 HG22 VAL 22 HG22 VAL 22 -1.239 -0.429 2.298 150 HG23 VAL 22 HG23 VAL 22 -1.852 -1.546 1.079 151 H THR 23 H THR 23 2.322 -4.478 0.691 152 HA THR 23 HA THR 23 2.040 -6.746 2.486 153 HB THR 23 HB THR 23 4.291 -6.279 0.537 154 HG1 THR 23 HG1 THR 23 3.013 -6.800 -1.079 155 HG21 THR 23 HG21 THR 23 4.560 -8.081 2.169 156 HG22 THR 23 HG22 THR 23 4.386 -8.720 0.531 157 HG23 THR 23 HG23 THR 23 3.024 -8.778 1.651 158 H ILE 24 H ILE 24 2.743 -6.454 4.450 159 HA ILE 24 HA ILE 24 4.869 -4.567 5.063 160 HB ILE 24 HB ILE 24 3.115 -6.194 6.919 161 HG12 ILE 24 HG12 ILE 24 1.845 -4.596 5.491 162 HG13 ILE 24 HG13 ILE 24 1.742 -4.234 7.213 163 HG21 ILE 24 HG21 ILE 24 3.815 -4.608 8.641 164 HG22 ILE 24 HG22 ILE 24 4.885 -3.823 7.478 165 HG23 ILE 24 HG23 ILE 24 5.186 -5.491 7.968 166 HD11 ILE 24 HD11 ILE 24 3.474 -2.812 5.194 167 HD12 ILE 24 HD12 ILE 24 3.404 -2.447 6.919 168 HD13 ILE 24 HD13 ILE 24 1.979 -2.204 5.906 169 H GLU 25 H GLU 25 6.870 -5.334 5.022 170 HA GLU 25 HA GLU 25 7.372 -8.178 5.421 171 HB2 GLU 25 HB2 GLU 25 8.380 -6.999 3.484 172 HB3 GLU 25 HB3 GLU 25 9.239 -5.941 4.594 173 HG2 GLU 25 HG2 GLU 25 10.884 -7.415 4.231 174 HG3 GLU 25 HG3 GLU 25 10.063 -8.283 5.526 175 H VAL 26 H VAL 26 7.604 -8.751 7.478 176 HA VAL 26 HA VAL 26 8.933 -6.866 9.302 177 HB VAL 26 HB VAL 26 6.898 -9.008 9.989 178 HG11 VAL 26 HG11 VAL 26 8.183 -6.921 11.736 179 HG12 VAL 26 HG12 VAL 26 8.477 -8.659 11.802 180 HG13 VAL 26 HG13 VAL 26 6.888 -8.017 12.216 181 HG21 VAL 26 HG21 VAL 26 5.412 -7.165 10.523 182 HG22 VAL 26 HG22 VAL 26 5.898 -7.123 8.827 183 HG23 VAL 26 HG23 VAL 26 6.633 -6.012 9.985 184 H LYS 27 H LYS 27 10.851 -7.427 9.951 185 HA LYS 27 HA LYS 27 11.560 -10.279 10.065 186 HB2 LYS 27 HB2 LYS 27 12.780 -9.050 8.330 187 HB3 LYS 27 HB3 LYS 27 13.318 -7.886 9.526 188 HG2 LYS 27 HG2 LYS 27 14.577 -9.651 10.651 189 HG3 LYS 27 HG3 LYS 27 14.064 -10.792 9.402 190 HD2 LYS 27 HD2 LYS 27 15.139 -9.457 7.703 191 HD3 LYS 27 HD3 LYS 27 15.578 -8.240 8.902 192 HE2 LYS 27 HE2 LYS 27 16.928 -9.931 10.072 193 HE3 LYS 27 HE3 LYS 27 16.547 -11.088 8.799 194 HZ1 LYS 27 HZ1 LYS 27 17.633 -9.651 7.204 195 HZ2 LYS 27 HZ2 LYS 27 18.702 -10.049 8.458 196 HZ3 LYS 27 HZ3 LYS 27 17.980 -8.515 8.412 197 H ASN 28 H ASN 28 12.094 -11.022 11.938 198 HA ASN 28 HA ASN 28 12.505 -11.331 14.129 199 HB2 ASN 28 HB2 ASN 28 13.305 -8.414 14.198 200 HB3 ASN 28 HB3 ASN 28 13.376 -9.492 15.586 201 HD21 ASN 28 HD21 ASN 28 14.866 -8.503 12.657 202 HD22 ASN 28 HD22 ASN 28 16.277 -9.497 12.770 203 H GLY 29 H GLY 29 11.220 -8.104 13.962 204 HA2 GLY 29 HA2 GLY 29 8.532 -8.749 14.575 205 HA3 GLY 29 HA3 GLY 29 9.366 -8.226 16.036 206 H LYS 30 H LYS 30 10.637 -6.891 13.183 207 HA LYS 30 HA LYS 30 9.197 -4.345 13.591 208 HB2 LYS 30 HB2 LYS 30 12.140 -4.688 12.975 209 HB3 LYS 30 HB3 LYS 30 11.299 -3.162 13.196 210 HG2 LYS 30 HG2 LYS 30 10.916 -3.663 15.513 211 HG3 LYS 30 HG3 LYS 30 11.623 -5.267 15.310 212 HD2 LYS 30 HD2 LYS 30 13.751 -4.152 14.627 213 HD3 LYS 30 HD3 LYS 30 13.018 -2.610 15.084 214 HE2 LYS 30 HE2 LYS 30 12.672 -3.455 17.348 215 HE3 LYS 30 HE3 LYS 30 13.410 -4.986 16.881 216 HZ1 LYS 30 HZ1 LYS 30 15.469 -3.825 16.435 217 HZ2 LYS 30 HZ2 LYS 30 14.978 -3.558 18.033 218 HZ3 LYS 30 HZ3 LYS 30 14.764 -2.346 16.869 219 H ILE 31 H ILE 31 8.813 -3.134 11.701 220 HA ILE 31 HA ILE 31 8.744 -4.594 9.238 221 HB ILE 31 HB ILE 31 8.345 -1.608 9.537 222 HG12 ILE 31 HG12 ILE 31 6.194 -3.729 9.680 223 HG13 ILE 31 HG13 ILE 31 6.900 -2.984 11.108 224 HG21 ILE 31 HG21 ILE 31 8.598 -2.363 7.247 225 HG22 ILE 31 HG22 ILE 31 6.915 -1.918 7.540 226 HG23 ILE 31 HG23 ILE 31 7.384 -3.619 7.495 227 HD11 ILE 31 HD11 ILE 31 6.073 -0.807 10.386 228 HD12 ILE 31 HD12 ILE 31 4.760 -1.977 10.529 229 HD13 ILE 31 HD13 ILE 31 5.387 -1.544 8.938 230 H VAL 32 H VAL 32 10.488 -4.932 8.004 231 HA VAL 32 HA VAL 32 12.678 -2.992 8.171 232 HB VAL 32 HB VAL 32 14.150 -4.752 7.297 233 HG11 VAL 32 HG11 VAL 32 13.882 -4.498 9.707 234 HG12 VAL 32 HG12 VAL 32 14.114 -6.194 9.282 235 HG13 VAL 32 HG13 VAL 32 12.503 -5.602 9.682 236 HG21 VAL 32 HG21 VAL 32 13.336 -7.095 7.199 237 HG22 VAL 32 HG22 VAL 32 12.627 -6.057 5.957 238 HG23 VAL 32 HG23 VAL 32 11.684 -6.491 7.384 239 H SER 33 H SER 33 10.159 -3.873 6.190 240 HA SER 33 HA SER 33 10.934 -2.123 4.073 241 HB2 SER 33 HB2 SER 33 12.214 -4.215 3.476 242 HB3 SER 33 HB3 SER 33 10.674 -5.063 3.382 243 HG SER 33 HG SER 33 11.046 -2.720 1.877 244 H VAL 34 H VAL 34 9.111 -1.692 2.668 245 HA VAL 34 HA VAL 34 6.777 -3.376 3.139 246 HB VAL 34 HB VAL 34 6.369 -1.340 4.421 247 HG11 VAL 34 HG11 VAL 34 7.700 0.251 3.220 248 HG12 VAL 34 HG12 VAL 34 6.030 0.816 3.303 249 HG13 VAL 34 HG13 VAL 34 6.653 0.103 1.812 250 HG21 VAL 34 HG21 VAL 34 4.452 -2.455 3.468 251 HG22 VAL 34 HG22 VAL 34 4.637 -1.548 1.965 252 HG23 VAL 34 HG23 VAL 34 4.202 -0.707 3.453 253 H ASP 35 H ASP 35 5.831 -4.068 1.448 254 HA ASP 35 HA ASP 35 6.922 -3.396 -1.181 255 HB2 ASP 35 HB2 ASP 35 7.270 -5.696 -0.604 256 HB3 ASP 35 HB3 ASP 35 5.615 -5.878 -0.046 257 H TRP 36 H TRP 36 5.685 -2.295 -2.524 258 HA TRP 36 HA TRP 36 2.823 -2.219 -2.004 259 HB2 TRP 36 HB2 TRP 36 2.948 -0.232 -3.702 260 HB3 TRP 36 HB3 TRP 36 3.384 -0.009 -2.019 261 HD1 TRP 36 HD1 TRP 36 5.936 0.500 -1.467 262 HE1 TRP 36 HE1 TRP 36 7.876 1.366 -2.919 263 HE3 TRP 36 HE3 TRP 36 3.954 -0.371 -6.106 264 HZ2 TRP 36 HZ2 TRP 36 8.488 1.644 -5.644 265 HZ3 TRP 36 HZ3 TRP 36 5.288 0.230 -8.079 266 HH2 TRP 36 HH2 TRP 36 7.506 1.216 -7.854 267 H ASN 37 H ASN 37 1.552 -3.316 -3.123 268 HA ASN 37 HA ASN 37 2.154 -3.987 -5.914 269 HB2 ASN 37 HB2 ASN 37 2.832 -5.868 -4.398 270 HB3 ASN 37 HB3 ASN 37 1.192 -5.937 -3.783 271 HD21 ASN 37 HD21 ASN 37 0.586 -7.892 -4.398 272 HD22 ASN 37 HD22 ASN 37 0.523 -8.452 -6.033 273 H ALA 38 H ALA 38 0.090 -4.787 -6.998 274 HA ALA 38 HA ALA 38 -2.381 -3.974 -5.674 275 HB1 ALA 38 HB1 ALA 38 -1.449 -2.993 -8.385 276 HB2 ALA 38 HB2 ALA 38 -1.722 -2.020 -6.937 277 HB3 ALA 38 HB3 ALA 38 -3.087 -2.787 -7.751 278 H ILE 39 H ILE 39 -4.327 -4.838 -6.973 279 HA ILE 39 HA ILE 39 -3.562 -7.172 -8.645 280 HB ILE 39 HB ILE 39 -6.094 -7.098 -6.969 281 HG12 ILE 39 HG12 ILE 39 -3.559 -8.610 -6.284 282 HG13 ILE 39 HG13 ILE 39 -4.046 -7.113 -5.503 283 HG21 ILE 39 HG21 ILE 39 -4.652 -9.345 -8.392 284 HG22 ILE 39 HG22 ILE 39 -6.144 -8.561 -8.921 285 HG23 ILE 39 HG23 ILE 39 -6.128 -9.514 -7.437 286 HD11 ILE 39 HD11 ILE 39 -4.614 -9.035 -4.137 287 HD12 ILE 39 HD12 ILE 39 -5.576 -9.706 -5.454 288 HD13 ILE 39 HD13 ILE 39 -6.073 -8.202 -4.677 289 H ASN 40 H ASN 40 -4.546 -7.232 -10.651 290 HA ASN 40 HA ASN 40 -5.917 -4.851 -11.476 291 HB2 ASN 40 HB2 ASN 40 -4.248 -6.143 -12.871 292 HB3 ASN 40 HB3 ASN 40 -5.506 -7.351 -13.121 293 HD21 ASN 40 HD21 ASN 40 -4.504 -4.072 -13.785 294 HD22 ASN 40 HD22 ASN 40 -5.591 -3.800 -15.098 295 H LYS 41 H LYS 41 -7.977 -4.549 -12.123 296 HA LYS 41 HA LYS 41 -10.053 -5.813 -10.753 297 HB2 LYS 41 HB2 LYS 41 -9.998 -3.468 -11.632 298 HB3 LYS 41 HB3 LYS 41 -10.309 -4.115 -13.234 299 HG2 LYS 41 HG2 LYS 41 -12.442 -5.058 -12.380 300 HG3 LYS 41 HG3 LYS 41 -12.123 -4.255 -10.840 301 HD2 LYS 41 HD2 LYS 41 -12.113 -2.086 -11.950 302 HD3 LYS 41 HD3 LYS 41 -12.384 -2.869 -13.509 303 HE2 LYS 41 HE2 LYS 41 -14.507 -3.788 -12.611 304 HE3 LYS 41 HE3 LYS 41 -14.246 -2.854 -11.140 305 HZ1 LYS 41 HZ1 LYS 41 -14.280 -0.831 -12.477 306 HZ2 LYS 41 HZ2 LYS 41 -15.725 -1.703 -12.636 307 HZ3 LYS 41 HZ3 LYS 41 -14.572 -1.747 -13.874 308 H ASP 42 H ASP 42 -8.889 -6.316 -14.022 309 HA ASP 42 HA ASP 42 -10.982 -7.872 -15.065 310 HB2 ASP 42 HB2 ASP 42 -9.184 -6.880 -16.422 311 HB3 ASP 42 HB3 ASP 42 -8.013 -7.952 -15.670 312 H GLY 43 H GLY 43 -8.367 -8.691 -12.898 313 HA2 GLY 43 HA2 GLY 43 -8.318 -10.555 -11.482 314 HA3 GLY 43 HA3 GLY 43 -9.496 -11.348 -12.519 315 H GLY 44 H GLY 44 -6.714 -9.814 -13.889 316 HA2 GLY 44 HA2 GLY 44 -5.828 -12.313 -15.009 317 HA3 GLY 44 HA3 GLY 44 -5.135 -10.728 -15.312 318 H ASP 45 H ASP 45 -3.433 -10.025 -14.111 319 HA ASP 45 HA ASP 45 -2.372 -11.927 -12.134 320 HB2 ASP 45 HB2 ASP 45 -0.933 -10.094 -14.051 321 HB3 ASP 45 HB3 ASP 45 -0.124 -10.874 -12.699 322 H ASP 46 H ASP 46 -0.640 -10.737 -10.758 323 HA ASP 46 HA ASP 46 -1.830 -8.497 -9.379 324 HB2 ASP 46 HB2 ASP 46 0.814 -9.938 -9.089 325 HB3 ASP 46 HB3 ASP 46 0.378 -8.556 -8.096 326 H LYS 47 H LYS 47 -0.287 -6.575 -8.928 327 HA LYS 47 HA LYS 47 0.312 -5.205 -11.291 328 HB2 LYS 47 HB2 LYS 47 -0.125 -4.354 -8.878 329 HB3 LYS 47 HB3 LYS 47 1.598 -4.582 -8.644 330 HG2 LYS 47 HG2 LYS 47 0.554 -2.917 -10.895 331 HG3 LYS 47 HG3 LYS 47 0.723 -2.260 -9.271 332 HD2 LYS 47 HD2 LYS 47 3.065 -2.563 -9.286 333 HD3 LYS 47 HD3 LYS 47 2.995 -3.598 -10.718 334 HE2 LYS 47 HE2 LYS 47 2.146 -1.698 -12.001 335 HE3 LYS 47 HE3 LYS 47 2.330 -0.681 -10.575 336 HZ1 LYS 47 HZ1 LYS 47 4.716 -1.196 -10.604 337 HZ2 LYS 47 HZ2 LYS 47 4.220 -0.415 -12.023 338 HZ3 LYS 47 HZ3 LYS 47 4.505 -2.087 -12.028 339 H ASP 48 H ASP 48 2.368 -6.964 -9.008 340 HA ASP 48 HA ASP 48 4.872 -6.495 -10.125 341 HB2 ASP 48 HB2 ASP 48 4.582 -7.553 -7.953 342 HB3 ASP 48 HB3 ASP 48 3.864 -8.968 -8.710 343 H THR 49 H THR 49 2.708 -9.285 -10.747 344 HA THR 49 HA THR 49 4.418 -10.522 -12.630 345 HB THR 49 HB THR 49 1.462 -10.985 -12.711 346 HG1 THR 49 HG1 THR 49 1.561 -12.122 -10.774 347 HG21 THR 49 HG21 THR 49 2.187 -13.328 -12.884 348 HG22 THR 49 HG22 THR 49 3.867 -12.818 -12.710 349 HG23 THR 49 HG23 THR 49 2.941 -12.325 -14.126 350 H LEU 50 H LEU 50 1.759 -8.223 -13.006 351 HA LEU 50 HA LEU 50 1.644 -8.353 -15.844 352 HB2 LEU 50 HB2 LEU 50 0.668 -6.316 -13.862 353 HB3 LEU 50 HB3 LEU 50 0.505 -6.077 -15.592 354 HG LEU 50 HG LEU 50 -0.678 -8.378 -14.031 355 HD11 LEU 50 HD11 LEU 50 -1.980 -5.959 -15.254 356 HD12 LEU 50 HD12 LEU 50 -1.768 -6.266 -13.529 357 HD13 LEU 50 HD13 LEU 50 -2.815 -7.312 -14.490 358 HD21 LEU 50 HD21 LEU 50 -1.865 -8.891 -16.102 359 HD22 LEU 50 HD22 LEU 50 -0.118 -8.997 -16.328 360 HD23 LEU 50 HD23 LEU 50 -1.004 -7.592 -16.925 361 H SER 51 H SER 51 3.571 -6.417 -13.601 362 HA SER 51 HA SER 51 4.683 -4.736 -15.629 363 HB2 SER 51 HB2 SER 51 5.727 -5.402 -12.865 364 HB3 SER 51 HB3 SER 51 6.353 -4.123 -13.910 365 HG SER 51 HG SER 51 3.742 -4.337 -12.816 366 H ARG 52 H ARG 52 5.459 -7.916 -14.402 367 HA ARG 52 HA ARG 52 8.083 -8.099 -15.501 368 HB2 ARG 52 HB2 ARG 52 6.194 -10.376 -14.863 369 HB3 ARG 52 HB3 ARG 52 7.928 -10.490 -15.077 370 HG2 ARG 52 HG2 ARG 52 6.608 -8.959 -12.849 371 HG3 ARG 52 HG3 ARG 52 7.131 -10.632 -12.720 372 HD2 ARG 52 HD2 ARG 52 8.814 -9.308 -11.722 373 HD3 ARG 52 HD3 ARG 52 9.452 -9.838 -13.274 374 HE ARG 52 HE ARG 52 9.266 -7.638 -14.085 375 HH11 ARG 52 HH11 ARG 52 8.238 -7.834 -10.715 376 HH12 ARG 52 HH12 ARG 52 8.459 -6.136 -10.436 377 HH21 ARG 52 HH21 ARG 52 9.527 -5.423 -13.698 378 HH22 ARG 52 HH22 ARG 52 9.181 -4.772 -12.124 379 H ASN 53 H ASN 53 4.861 -8.957 -16.690 380 HA ASN 53 HA ASN 53 5.899 -10.109 -19.134 381 HB2 ASN 53 HB2 ASN 53 3.130 -9.661 -18.065 382 HB3 ASN 53 HB3 ASN 53 3.382 -10.110 -19.748 383 HD21 ASN 53 HD21 ASN 53 3.376 -11.172 -16.479 384 HD22 ASN 53 HD22 ASN 53 3.671 -12.844 -16.807 385 H GLY 54 H GLY 54 4.475 -7.057 -18.168 386 HA2 GLY 54 HA2 GLY 54 4.776 -5.061 -19.479 387 HA3 GLY 54 HA3 GLY 54 4.829 -6.066 -20.920 388 H GLY 55 H GLY 55 2.436 -6.667 -18.497 389 HA2 GLY 55 HA2 GLY 55 0.374 -5.536 -20.277 390 HA3 GLY 55 HA3 GLY 55 0.140 -6.968 -19.282 391 H TYR 56 H TYR 56 1.848 -4.185 -18.042 392 HA TYR 56 HA TYR 56 -0.116 -3.758 -15.992 393 HB2 TYR 56 HB2 TYR 56 2.104 -3.343 -15.269 394 HB3 TYR 56 HB3 TYR 56 2.495 -2.405 -16.705 395 HD1 TYR 56 HD2 TYR 56 0.095 -2.256 -13.824 396 HD2 TYR 56 HD1 TYR 56 2.675 -0.120 -16.444 397 HE1 TYR 56 HE2 TYR 56 -0.474 -0.161 -12.670 398 HE2 TYR 56 HE1 TYR 56 2.114 1.976 -15.300 399 HH TYR 56 HH TYR 56 0.359 2.914 -13.945 400 H LYS 57 H LYS 57 -2.016 -3.123 -16.820 401 HA LYS 57 HA LYS 57 -2.066 -0.492 -18.124 402 HB2 LYS 57 HB2 LYS 57 -3.861 -2.827 -18.830 403 HB3 LYS 57 HB3 LYS 57 -3.931 -1.221 -19.536 404 HG2 LYS 57 HG2 LYS 57 -1.600 -1.599 -20.389 405 HG3 LYS 57 HG3 LYS 57 -1.748 -3.270 -19.849 406 HD2 LYS 57 HD2 LYS 57 -2.277 -3.209 -22.169 407 HD3 LYS 57 HD3 LYS 57 -3.783 -3.464 -21.286 408 HE2 LYS 57 HE2 LYS 57 -4.299 -1.083 -21.485 409 HE3 LYS 57 HE3 LYS 57 -2.793 -0.830 -22.367 410 HZ1 LYS 57 HZ1 LYS 57 -5.065 -2.523 -23.247 411 HZ2 LYS 57 HZ2 LYS 57 -3.609 -2.320 -24.090 412 HZ3 LYS 57 HZ3 LYS 57 -4.650 -1.003 -23.870 413 H MET 58 H MET 58 -3.373 0.921 -17.203 414 HA MET 58 HA MET 58 -5.268 0.098 -15.150 415 HB2 MET 58 HB2 MET 58 -4.693 2.852 -16.281 416 HB3 MET 58 HB3 MET 58 -5.701 2.505 -14.886 417 HG2 MET 58 HG2 MET 58 -3.794 1.737 -13.638 418 HG3 MET 58 HG3 MET 58 -2.755 1.917 -15.051 419 HE1 MET 58 HE1 MET 58 -2.181 4.270 -16.165 420 HE2 MET 58 HE2 MET 58 -2.797 5.810 -15.563 421 HE3 MET 58 HE3 MET 58 -3.903 4.636 -16.277 422 H VAL 59 H VAL 59 -7.587 0.750 -15.336 423 HA VAL 59 HA VAL 59 -8.478 0.633 -18.116 424 HB VAL 59 HB VAL 59 -10.740 0.260 -17.307 425 HG11 VAL 59 HG11 VAL 59 -10.419 -1.895 -16.174 426 HG12 VAL 59 HG12 VAL 59 -8.735 -1.473 -15.865 427 HG13 VAL 59 HG13 VAL 59 -9.301 -1.680 -17.522 428 HG21 VAL 59 HG21 VAL 59 -10.756 1.656 -15.316 429 HG22 VAL 59 HG22 VAL 59 -9.632 0.558 -14.515 430 HG23 VAL 59 HG23 VAL 59 -11.259 0.011 -14.925 431 H GLU 60 H GLU 60 -8.089 2.910 -15.576 432 HA GLU 60 HA GLU 60 -9.508 4.951 -17.151 433 HB2 GLU 60 HB2 GLU 60 -8.799 4.914 -14.213 434 HB3 GLU 60 HB3 GLU 60 -9.444 6.319 -15.047 435 HG2 GLU 60 HG2 GLU 60 -10.831 3.667 -14.732 436 HG3 GLU 60 HG3 GLU 60 -11.169 5.124 -13.802 437 H TYR 61 H TYR 61 -8.287 6.189 -18.305 438 HA TYR 61 HA TYR 61 -5.465 6.574 -17.584 439 HB2 TYR 61 HB2 TYR 61 -6.905 6.964 -20.211 440 HB3 TYR 61 HB3 TYR 61 -5.197 7.291 -19.952 441 HD1 TYR 61 HD1 TYR 61 -3.635 5.433 -19.555 442 HD2 TYR 61 HD2 TYR 61 -7.719 4.735 -20.512 443 HE1 TYR 61 HE1 TYR 61 -3.099 3.108 -20.123 444 HE2 TYR 61 HE2 TYR 61 -7.193 2.405 -21.081 445 HH TYR 61 HH TYR 61 -4.136 0.996 -20.334 446 H GLY 62 H GLY 62 -8.446 8.147 -17.579 447 HA2 GLY 62 HA2 GLY 62 -7.361 10.809 -18.056 448 HA3 GLY 62 HA3 GLY 62 -9.053 10.395 -17.835 449 H GLY 63 H GLY 63 -6.050 10.124 -15.934 450 HA2 GLY 63 HA2 GLY 63 -5.502 11.382 -14.037 451 HA3 GLY 63 HA3 GLY 63 -7.166 11.930 -13.945 452 H ALA 64 H ALA 64 -5.067 9.145 -13.375 453 HA ALA 64 HA ALA 64 -6.809 8.485 -11.117 454 HB1 ALA 64 HB1 ALA 64 -6.401 6.107 -11.441 455 HB2 ALA 64 HB2 ALA 64 -5.431 6.461 -12.871 456 HB3 ALA 64 HB3 ALA 64 -7.159 6.815 -12.868 457 H GLN 65 H GLN 65 -3.982 6.586 -11.785 458 HA GLN 65 HA GLN 65 -1.869 6.431 -10.959 459 HB2 GLN 65 HB2 GLN 65 -2.245 9.408 -10.694 460 HB3 GLN 65 HB3 GLN 65 -0.750 8.623 -10.233 461 HG2 GLN 65 HG2 GLN 65 -0.457 9.534 -12.403 462 HG3 GLN 65 HG3 GLN 65 -0.553 7.787 -12.585 463 HE21 GLN 65 HE21 GLN 65 -2.299 6.891 -13.654 464 HE22 GLN 65 HE22 GLN 65 -3.365 7.831 -14.639 465 H ALA 66 H ALA 66 -4.153 6.077 -9.161 466 HA ALA 66 HA ALA 66 -3.411 7.391 -6.679 467 HB1 ALA 66 HB1 ALA 66 -5.883 5.816 -7.352 468 HB2 ALA 66 HB2 ALA 66 -5.709 7.565 -7.507 469 HB3 ALA 66 HB3 ALA 66 -5.621 6.805 -5.917 470 H GLU 67 H GLU 67 -3.554 4.183 -8.037 471 HA GLU 67 HA GLU 67 -3.388 2.886 -5.486 472 HB2 GLU 67 HB2 GLU 67 -2.961 1.739 -8.246 473 HB3 GLU 67 HB3 GLU 67 -3.166 0.812 -6.761 474 HG2 GLU 67 HG2 GLU 67 -5.199 2.641 -8.005 475 HG3 GLU 67 HG3 GLU 67 -5.215 0.881 -8.045 476 H TRP 68 H TRP 68 -1.625 1.203 -5.173 477 HA TRP 68 HA TRP 68 0.758 2.825 -4.997 478 HB2 TRP 68 HB2 TRP 68 0.359 0.095 -3.762 479 HB3 TRP 68 HB3 TRP 68 1.485 1.358 -3.270 480 HD1 TRP 68 HD1 TRP 68 -1.430 -0.092 -1.958 481 HE1 TRP 68 HE1 TRP 68 -2.947 1.536 -0.691 482 HE3 TRP 68 HE3 TRP 68 0.565 4.355 -3.587 483 HZ2 TRP 68 HZ2 TRP 68 -3.269 4.343 -0.415 484 HZ3 TRP 68 HZ3 TRP 68 -0.414 6.454 -2.765 485 HH2 TRP 68 HH2 TRP 68 -2.288 6.443 -1.213 486 H HIS 69 H HIS 69 1.407 2.861 -7.027 487 HA HIS 69 HA HIS 69 2.826 0.525 -8.001 488 HB2 HIS 69 HB2 HIS 69 1.829 0.795 -10.283 489 HB3 HIS 69 HB3 HIS 69 0.715 0.212 -9.065 490 HD1 HIS 69 HD1 HIS 69 -1.545 1.099 -9.606 491 HD2 HIS 69 HD2 HIS 69 1.412 3.920 -10.364 492 HE1 HIS 69 HE1 HIS 69 -2.746 3.124 -10.482 493 HE2 HIS 69 HE2 HIS 69 -0.905 4.679 -11.214 494 H GLU 70 H GLU 70 2.806 3.779 -7.391 495 HA GLU 70 HA GLU 70 5.066 4.312 -9.129 496 HB2 GLU 70 HB2 GLU 70 2.931 4.737 -10.451 497 HB3 GLU 70 HB3 GLU 70 2.618 6.061 -9.341 498 HG2 GLU 70 HG2 GLU 70 4.836 7.014 -10.019 499 HG3 GLU 70 HG3 GLU 70 4.890 5.783 -11.281 500 H GLN 71 H GLN 71 2.624 6.166 -7.285 501 HA GLN 71 HA GLN 71 4.646 7.978 -6.307 502 HB2 GLN 71 HB2 GLN 71 2.218 8.506 -7.052 503 HB3 GLN 71 HB3 GLN 71 1.764 7.963 -5.444 504 HG2 GLN 71 HG2 GLN 71 1.966 10.377 -5.508 505 HG3 GLN 71 HG3 GLN 71 3.187 9.676 -4.449 506 HE21 GLN 71 HE21 GLN 71 2.598 11.342 -7.431 507 HE22 GLN 71 HE22 GLN 71 4.241 11.753 -7.760 508 H ALA 72 H ALA 72 3.496 5.048 -5.319 509 HA ALA 72 HA ALA 72 3.406 5.261 -2.507 510 HB1 ALA 72 HB1 ALA 72 3.941 2.838 -4.198 511 HB2 ALA 72 HB2 ALA 72 2.347 3.449 -3.755 512 HB3 ALA 72 HB3 ALA 72 3.439 2.852 -2.506 513 H GLU 73 H GLU 73 6.037 5.010 -4.742 514 HA GLU 73 HA GLU 73 8.068 3.883 -3.185 515 HB2 GLU 73 HB2 GLU 73 8.152 4.328 -5.622 516 HB3 GLU 73 HB3 GLU 73 8.298 6.046 -5.282 517 HG2 GLU 73 HG2 GLU 73 10.349 5.210 -3.839 518 HG3 GLU 73 HG3 GLU 73 10.286 3.873 -4.989 519 H LYS 74 H LYS 74 6.809 7.197 -3.196 520 HA LYS 74 HA LYS 74 8.923 8.246 -1.540 521 HB2 LYS 74 HB2 LYS 74 6.167 9.433 -1.965 522 HB3 LYS 74 HB3 LYS 74 7.606 10.271 -1.406 523 HG2 LYS 74 HG2 LYS 74 7.091 9.176 -4.163 524 HG3 LYS 74 HG3 LYS 74 7.200 10.870 -3.687 525 HD2 LYS 74 HD2 LYS 74 9.555 10.587 -3.147 526 HD3 LYS 74 HD3 LYS 74 9.454 8.868 -3.528 527 HE2 LYS 74 HE2 LYS 74 8.750 9.543 -5.848 528 HE3 LYS 74 HE3 LYS 74 9.180 11.198 -5.411 529 HZ1 LYS 74 HZ1 LYS 74 10.983 8.843 -5.487 530 HZ2 LYS 74 HZ2 LYS 74 11.430 10.358 -4.868 531 HZ3 LYS 74 HZ3 LYS 74 11.027 10.200 -6.507 532 H VAL 75 H VAL 75 5.784 6.871 -1.086 533 HA VAL 75 HA VAL 75 5.421 7.616 1.638 534 HB VAL 75 HB VAL 75 3.934 5.496 0.075 535 HG11 VAL 75 HG11 VAL 75 3.108 7.177 2.434 536 HG12 VAL 75 HG12 VAL 75 3.529 5.463 2.474 537 HG13 VAL 75 HG13 VAL 75 2.101 6.000 1.590 538 HG21 VAL 75 HG21 VAL 75 3.917 7.602 -1.171 539 HG22 VAL 75 HG22 VAL 75 3.346 8.454 0.265 540 HG23 VAL 75 HG23 VAL 75 2.322 7.244 -0.508 541 H GLU 76 H GLU 76 6.674 4.751 -0.002 542 HA GLU 76 HA GLU 76 6.531 2.901 2.098 543 HB2 GLU 76 HB2 GLU 76 8.156 1.557 0.884 544 HB3 GLU 76 HB3 GLU 76 6.968 2.217 -0.229 545 HG2 GLU 76 HG2 GLU 76 8.503 3.762 -1.110 546 HG3 GLU 76 HG3 GLU 76 9.626 3.526 0.223 547 H ALA 77 H ALA 77 9.044 5.244 1.304 548 HA ALA 77 HA ALA 77 11.002 4.382 3.134 549 HB1 ALA 77 HB1 ALA 77 11.499 5.826 1.249 550 HB2 ALA 77 HB2 ALA 77 12.003 6.586 2.761 551 HB3 ALA 77 HB3 ALA 77 10.523 7.111 1.955 552 H TYR 78 H TYR 78 8.246 6.493 3.426 553 HA TYR 78 HA TYR 78 8.913 7.598 5.967 554 HB2 TYR 78 HB2 TYR 78 7.391 8.600 4.202 555 HB3 TYR 78 HB3 TYR 78 6.177 7.430 4.709 556 HD1 TYR 78 HD2 TYR 78 8.151 10.355 5.767 557 HD2 TYR 78 HD1 TYR 78 4.913 7.759 6.709 558 HE1 TYR 78 HE2 TYR 78 7.416 11.908 7.522 559 HE2 TYR 78 HE1 TYR 78 4.174 9.306 8.462 560 HH TYR 78 HH TYR 78 5.329 12.459 8.732 561 H LEU 79 H LEU 79 7.027 4.807 4.895 562 HA LEU 79 HA LEU 79 5.882 4.236 7.445 563 HB2 LEU 79 HB2 LEU 79 5.037 3.497 5.172 564 HB3 LEU 79 HB3 LEU 79 6.335 2.332 5.134 565 HG LEU 79 HG LEU 79 3.944 1.569 5.766 566 HD11 LEU 79 HD11 LEU 79 4.781 -0.164 7.267 567 HD12 LEU 79 HD12 LEU 79 6.288 0.734 7.458 568 HD13 LEU 79 HD13 LEU 79 5.840 0.085 5.879 569 HD21 LEU 79 HD21 LEU 79 3.443 1.630 8.166 570 HD22 LEU 79 HD22 LEU 79 3.464 3.238 7.442 571 HD23 LEU 79 HD23 LEU 79 4.829 2.694 8.418 572 H VAL 80 H VAL 80 8.799 3.153 5.760 573 HA VAL 80 HA VAL 80 9.538 1.209 7.700 574 HB VAL 80 HB VAL 80 11.231 2.571 5.582 575 HG11 VAL 80 HG11 VAL 80 12.808 0.716 5.835 576 HG12 VAL 80 HG12 VAL 80 11.857 0.086 7.181 577 HG13 VAL 80 HG13 VAL 80 12.672 1.643 7.331 578 HG21 VAL 80 HG21 VAL 80 10.913 0.480 4.338 579 HG22 VAL 80 HG22 VAL 80 9.380 1.286 4.667 580 HG23 VAL 80 HG23 VAL 80 9.861 -0.118 5.622 581 H GLU 81 H GLU 81 10.257 4.694 7.412 582 HA GLU 81 HA GLU 81 12.171 4.607 9.558 583 HB2 GLU 81 HB2 GLU 81 12.165 7.049 9.483 584 HB3 GLU 81 HB3 GLU 81 12.357 6.360 7.878 585 HG2 GLU 81 HG2 GLU 81 10.110 6.890 7.303 586 HG3 GLU 81 HG3 GLU 81 9.735 7.338 8.963 587 H LYS 82 H LYS 82 8.704 5.047 9.369 588 HA LYS 82 HA LYS 82 8.484 6.145 12.025 589 HB2 LYS 82 HB2 LYS 82 6.512 5.353 9.909 590 HB3 LYS 82 HB3 LYS 82 5.959 5.672 11.547 591 HG2 LYS 82 HG2 LYS 82 7.494 7.594 9.808 592 HG3 LYS 82 HG3 LYS 82 5.753 7.633 10.096 593 HD2 LYS 82 HD2 LYS 82 6.106 8.057 12.434 594 HD3 LYS 82 HD3 LYS 82 7.846 7.847 12.245 595 HE2 LYS 82 HE2 LYS 82 6.202 10.005 10.930 596 HE3 LYS 82 HE3 LYS 82 7.177 10.222 12.385 597 HZ1 LYS 82 HZ1 LYS 82 9.151 9.679 11.111 598 HZ2 LYS 82 HZ2 LYS 82 8.330 10.969 10.381 599 HZ3 LYS 82 HZ3 LYS 82 8.224 9.417 9.721 600 H GLN 83 H GLN 83 8.142 3.007 10.542 601 HA GLN 83 HA GLN 83 7.924 0.888 11.316 602 HB2 GLN 83 HB2 GLN 83 8.504 2.147 14.002 603 HB3 GLN 83 HB3 GLN 83 8.272 0.421 13.774 604 HG2 GLN 83 HG2 GLN 83 10.403 2.050 12.417 605 HG3 GLN 83 HG3 GLN 83 10.632 1.116 13.895 606 HE21 GLN 83 HE21 GLN 83 10.138 0.988 10.485 607 HE22 GLN 83 HE22 GLN 83 10.527 -0.687 10.286 608 H ASP 84 H ASP 84 5.652 2.984 11.407 609 HA ASP 84 HA ASP 84 3.769 1.449 13.032 610 HB2 ASP 84 HB2 ASP 84 4.842 3.460 14.272 611 HB3 ASP 84 HB3 ASP 84 3.870 4.460 13.201 612 HA PRO 85 HA PRO 85 1.598 2.366 9.178 613 HB2 PRO 85 HB2 PRO 85 -0.199 0.406 9.348 614 HB3 PRO 85 HB3 PRO 85 1.504 0.073 9.007 615 HG2 PRO 85 HG2 PRO 85 0.010 -0.170 11.592 616 HG3 PRO 85 HG3 PRO 85 1.170 -1.296 10.859 617 HD2 PRO 85 HD2 PRO 85 1.812 0.508 12.820 618 HD3 PRO 85 HD3 PRO 85 2.972 -0.137 11.645 619 H THR 86 H THR 86 0.601 3.075 12.302 620 HA THR 86 HA THR 86 -1.879 4.211 11.221 621 HB THR 86 HB THR 86 -2.459 2.252 12.610 622 HG1 THR 86 HG1 THR 86 -4.152 3.489 12.784 623 HG21 THR 86 HG21 THR 86 -2.259 2.320 15.026 624 HG22 THR 86 HG22 THR 86 -1.361 3.834 14.929 625 HG23 THR 86 HG23 THR 86 -0.661 2.351 14.275 626 H ASP 87 H ASP 87 1.069 4.812 12.793 627 HA ASP 87 HA ASP 87 0.157 7.315 13.956 628 HB2 ASP 87 HB2 ASP 87 2.005 6.071 15.063 629 HB3 ASP 87 HB3 ASP 87 3.002 6.331 13.633 630 H ILE 88 H ILE 88 -0.600 8.510 12.431 631 HA ILE 88 HA ILE 88 1.185 9.841 10.643 632 HB ILE 88 HB ILE 88 0.735 7.828 9.316 633 HG12 ILE 88 HG12 ILE 88 -0.241 8.899 7.267 634 HG13 ILE 88 HG13 ILE 88 -0.633 10.302 8.252 635 HG21 ILE 88 HG21 ILE 88 -1.388 7.140 10.241 636 HG22 ILE 88 HG22 ILE 88 -1.508 7.284 8.487 637 HG23 ILE 88 HG23 ILE 88 -2.184 8.540 9.524 638 HD11 ILE 88 HD11 ILE 88 1.403 10.646 6.977 639 HD12 ILE 88 HD12 ILE 88 2.132 9.232 7.739 640 HD13 ILE 88 HD13 ILE 88 1.733 10.650 8.709 641 H LYS 89 H LYS 89 0.357 11.827 10.023 642 HA LYS 89 HA LYS 89 -2.325 12.473 11.021 643 HB2 LYS 89 HB2 LYS 89 -0.552 13.292 12.565 644 HB3 LYS 89 HB3 LYS 89 0.129 14.232 11.249 645 HG2 LYS 89 HG2 LYS 89 -1.175 15.660 12.678 646 HG3 LYS 89 HG3 LYS 89 -1.962 15.516 11.108 647 HD2 LYS 89 HD2 LYS 89 -3.493 13.838 12.046 648 HD3 LYS 89 HD3 LYS 89 -2.725 14.034 13.622 649 HE2 LYS 89 HE2 LYS 89 -4.764 15.334 13.544 650 HE3 LYS 89 HE3 LYS 89 -3.373 16.417 13.609 651 HZ1 LYS 89 HZ1 LYS 89 -4.840 15.679 11.131 652 HZ2 LYS 89 HZ2 LYS 89 -3.567 16.793 11.248 653 HZ3 LYS 89 HZ3 LYS 89 -5.055 17.124 11.988 654 H TYR 90 H TYR 90 -3.544 12.951 9.362 655 HA TYR 90 HA TYR 90 -2.365 14.231 6.994 656 HB2 TYR 90 HB2 TYR 90 -5.200 13.203 7.247 657 HB3 TYR 90 HB3 TYR 90 -4.331 13.622 5.784 658 HD1 TYR 90 HD2 TYR 90 -2.152 12.206 5.318 659 HD2 TYR 90 HD1 TYR 90 -5.359 10.972 7.823 660 HE1 TYR 90 HE2 TYR 90 -1.465 9.852 5.024 661 HE2 TYR 90 HE1 TYR 90 -4.686 8.625 7.542 662 HH TYR 90 HH TYR 90 -3.453 7.246 6.009 663 H LYS 91 H LYS 91 -3.125 16.139 6.182 664 HA LYS 91 HA LYS 91 -5.136 17.577 7.760 665 HB2 LYS 91 HB2 LYS 91 -3.610 19.624 6.737 666 HB3 LYS 91 HB3 LYS 91 -3.513 19.027 8.381 667 HG2 LYS 91 HG2 LYS 91 -1.290 19.223 7.586 668 HG3 LYS 91 HG3 LYS 91 -1.655 17.504 7.627 669 HD2 LYS 91 HD2 LYS 91 -0.441 17.938 5.623 670 HD3 LYS 91 HD3 LYS 91 -2.115 17.639 5.158 671 HE2 LYS 91 HE2 LYS 91 -1.264 19.502 3.894 672 HE3 LYS 91 HE3 LYS 91 -2.472 20.087 5.036 673 HZ1 LYS 91 HZ1 LYS 91 -0.498 21.505 4.922 674 HZ2 LYS 91 HZ2 LYS 91 0.464 20.216 5.472 675 HZ3 LYS 91 HZ3 LYS 91 -0.738 20.865 6.471 676 H ASP 92 H ASP 92 -6.753 16.937 6.251 677 HA ASP 92 HA ASP 92 -6.860 18.187 3.724 678 HB2 ASP 92 HB2 ASP 92 -5.070 16.441 3.376 679 HB3 ASP 92 HB3 ASP 92 -6.276 15.217 3.713 680 H ASN 93 H ASN 93 -8.716 17.034 2.424 681 HA ASN 93 HA ASN 93 -10.950 16.456 4.125 682 HB2 ASN 93 HB2 ASN 93 -11.173 17.694 1.997 683 HB3 ASN 93 HB3 ASN 93 -10.640 16.271 1.117 684 HD21 ASN 93 HD21 ASN 93 -13.203 17.701 2.976 685 HD22 ASN 93 HD22 ASN 93 -14.454 16.627 2.447 686 H ASP 94 H ASP 94 -8.493 14.562 2.501 687 HA ASP 94 HA ASP 94 -10.076 12.112 2.946 688 HB2 ASP 94 HB2 ASP 94 -9.724 12.813 0.481 689 HB3 ASP 94 HB3 ASP 94 -8.041 12.391 0.736 690 H GLY 95 H GLY 95 -6.765 13.417 2.522 691 HA2 GLY 95 HA2 GLY 95 -5.502 12.225 4.590 692 HA3 GLY 95 HA3 GLY 95 -5.642 10.915 3.432 693 H HIS 96 H HIS 96 -4.934 14.356 2.813 694 HA HIS 96 HA HIS 96 -2.420 13.543 1.568 695 HB2 HIS 96 HB2 HIS 96 -3.959 16.126 1.572 696 HB3 HIS 96 HB3 HIS 96 -2.250 16.112 1.150 697 HD1 HIS 96 HD1 HIS 96 -5.453 15.944 -0.377 698 HD2 HIS 96 HD2 HIS 96 -1.797 14.097 -1.050 699 HE1 HIS 96 HE1 HIS 96 -5.536 15.136 -2.753 700 HE2 HIS 96 HE2 HIS 96 -3.243 14.218 -3.194 701 H THR 97 H THR 97 -0.454 14.411 2.157 702 HA THR 97 HA THR 97 -0.249 15.651 4.773 703 HB THR 97 HB THR 97 -0.201 13.319 5.369 704 HG1 THR 97 HG1 THR 97 1.335 14.472 6.497 705 HG21 THR 97 HG21 THR 97 1.391 11.705 4.440 706 HG22 THR 97 HG22 THR 97 1.960 12.922 3.295 707 HG23 THR 97 HG23 THR 97 0.304 12.324 3.193 708 H ASP 98 H ASP 98 1.652 16.792 5.070 709 HA ASP 98 HA ASP 98 3.200 17.269 2.620 710 HB2 ASP 98 HB2 ASP 98 3.858 19.409 3.607 711 HB3 ASP 98 HB3 ASP 98 2.108 19.258 3.577 712 H ALA 99 H ALA 99 3.320 15.595 5.459 713 HA ALA 99 HA ALA 99 6.061 15.857 6.190 714 HB1 ALA 99 HB1 ALA 99 4.373 15.039 7.747 715 HB2 ALA 99 HB2 ALA 99 5.660 13.852 7.530 716 HB3 ALA 99 HB3 ALA 99 4.104 13.626 6.728 717 H ILE 100 H ILE 100 4.228 13.477 4.273 718 HA ILE 100 HA ILE 100 6.663 12.402 3.125 719 HB ILE 100 HB ILE 100 3.827 11.918 2.175 720 HG12 ILE 100 HG12 ILE 100 5.428 10.272 4.148 721 HG13 ILE 100 HG13 ILE 100 4.140 11.378 4.602 722 HG21 ILE 100 HG21 ILE 100 6.379 10.329 1.842 723 HG22 ILE 100 HG22 ILE 100 5.570 11.275 0.592 724 HG23 ILE 100 HG23 ILE 100 4.787 9.841 1.258 725 HD11 ILE 100 HD11 ILE 100 3.389 9.069 4.581 726 HD12 ILE 100 HD12 ILE 100 3.826 8.937 2.876 727 HD13 ILE 100 HD13 ILE 100 2.537 10.034 3.374 728 H SER 101 H SER 101 7.673 13.978 2.063 729 HA SER 101 HA SER 101 6.379 15.932 0.447 730 HB2 SER 101 HB2 SER 101 9.307 15.171 0.560 731 HB3 SER 101 HB3 SER 101 8.641 16.672 -0.086 732 HG SER 101 HG SER 101 7.651 16.514 2.301 733 H GLY 102 H GLY 102 5.448 15.501 -1.386 734 HA2 GLY 102 HA2 GLY 102 5.951 15.168 -3.772 735 HA3 GLY 102 HA3 GLY 102 6.848 13.734 -3.300 736 H ALA 103 H ALA 103 4.317 13.614 -1.290 737 HA ALA 103 HA ALA 103 2.931 11.677 -2.907 738 HB1 ALA 103 HB1 ALA 103 3.344 11.277 -0.526 739 HB2 ALA 103 HB2 ALA 103 1.623 11.226 -0.914 740 HB3 ALA 103 HB3 ALA 103 2.306 12.646 -0.122 741 H THR 104 H THR 104 1.903 12.659 -4.534 742 HA THR 104 HA THR 104 0.264 15.005 -4.139 743 HB THR 104 HB THR 104 0.257 13.428 -6.689 744 HG1 THR 104 HG1 THR 104 2.443 14.839 -5.551 745 HG21 THR 104 HG21 THR 104 0.241 15.673 -7.684 746 HG22 THR 104 HG22 THR 104 0.381 16.388 -6.077 747 HG23 THR 104 HG23 THR 104 -1.072 15.490 -6.520 748 H ILE 105 H ILE 105 -0.171 11.601 -4.174 749 HA ILE 105 HA ILE 105 -3.076 11.870 -4.373 750 HB ILE 105 HB ILE 105 -1.897 10.243 -5.836 751 HG12 ILE 105 HG12 ILE 105 -4.320 9.954 -4.859 752 HG13 ILE 105 HG13 ILE 105 -3.592 8.709 -5.855 753 HG21 ILE 105 HG21 ILE 105 -1.032 8.129 -4.927 754 HG22 ILE 105 HG22 ILE 105 -1.209 8.783 -3.298 755 HG23 ILE 105 HG23 ILE 105 -0.092 9.540 -4.435 756 HD11 ILE 105 HD11 ILE 105 -4.804 7.774 -3.973 757 HD12 ILE 105 HD12 ILE 105 -3.785 8.672 -2.848 758 HD13 ILE 105 HD13 ILE 105 -3.083 7.405 -3.856 759 H LYS 106 H LYS 106 -4.425 11.021 -2.691 760 HA LYS 106 HA LYS 106 -3.480 11.499 -0.091 761 HB2 LYS 106 HB2 LYS 106 -5.806 10.283 0.443 762 HB3 LYS 106 HB3 LYS 106 -5.668 11.961 -0.051 763 HG2 LYS 106 HG2 LYS 106 -7.414 11.131 -1.337 764 HG3 LYS 106 HG3 LYS 106 -6.039 11.084 -2.439 765 HD2 LYS 106 HD2 LYS 106 -5.763 8.717 -2.041 766 HD3 LYS 106 HD3 LYS 106 -7.044 8.745 -0.830 767 HE2 LYS 106 HE2 LYS 106 -7.419 9.408 -3.743 768 HE3 LYS 106 HE3 LYS 106 -7.766 7.841 -3.018 769 HZ1 LYS 106 HZ1 LYS 106 -9.088 10.419 -2.367 770 HZ2 LYS 106 HZ2 LYS 106 -9.360 8.971 -1.538 771 HZ3 LYS 106 HZ3 LYS 106 -9.778 9.098 -3.172 772 H VAL 107 H VAL 107 -2.616 10.360 1.363 773 HA VAL 107 HA VAL 107 -1.602 7.731 0.695 774 HB VAL 107 HB VAL 107 -0.943 9.724 2.893 775 HG11 VAL 107 HG11 VAL 107 -0.310 7.492 3.620 776 HG12 VAL 107 HG12 VAL 107 1.106 8.485 3.266 777 HG13 VAL 107 HG13 VAL 107 0.580 7.254 2.117 778 HG21 VAL 107 HG21 VAL 107 -0.394 10.490 0.655 779 HG22 VAL 107 HG22 VAL 107 0.521 9.007 0.371 780 HG23 VAL 107 HG23 VAL 107 1.062 10.155 1.594 781 H LYS 108 H LYS 108 -4.298 8.773 2.246 782 HA LYS 108 HA LYS 108 -4.376 7.547 4.734 783 HB2 LYS 108 HB2 LYS 108 -5.924 9.290 3.772 784 HB3 LYS 108 HB3 LYS 108 -6.745 7.995 2.920 785 HG2 LYS 108 HG2 LYS 108 -6.444 7.761 5.869 786 HG3 LYS 108 HG3 LYS 108 -7.602 8.923 5.234 787 HD2 LYS 108 HD2 LYS 108 -7.553 5.963 4.636 788 HD3 LYS 108 HD3 LYS 108 -8.666 6.778 5.734 789 HE2 LYS 108 HE2 LYS 108 -8.463 7.188 2.746 790 HE3 LYS 108 HE3 LYS 108 -9.742 6.329 3.600 791 HZ1 LYS 108 HZ1 LYS 108 -10.463 8.537 3.023 792 HZ2 LYS 108 HZ2 LYS 108 -9.134 9.233 3.806 793 HZ3 LYS 108 HZ3 LYS 108 -10.320 8.428 4.708 794 H LYS 109 H LYS 109 -5.177 6.194 1.561 795 HA LYS 109 HA LYS 109 -6.342 3.802 2.572 796 HB2 LYS 109 HB2 LYS 109 -6.902 4.798 0.380 797 HB3 LYS 109 HB3 LYS 109 -5.277 4.444 -0.184 798 HG2 LYS 109 HG2 LYS 109 -5.841 2.381 -0.756 799 HG3 LYS 109 HG3 LYS 109 -6.534 2.064 0.832 800 HD2 LYS 109 HD2 LYS 109 -8.214 1.740 -0.862 801 HD3 LYS 109 HD3 LYS 109 -8.630 3.150 0.104 802 HE2 LYS 109 HE2 LYS 109 -9.034 3.448 -2.310 803 HE3 LYS 109 HE3 LYS 109 -7.905 4.629 -1.657 804 HZ1 LYS 109 HZ1 LYS 109 -7.262 3.699 -3.848 805 HZ2 LYS 109 HZ2 LYS 109 -7.095 2.174 -3.128 806 HZ3 LYS 109 HZ3 LYS 109 -6.095 3.444 -2.653 807 H PHE 110 H PHE 110 -3.041 4.707 1.757 808 HA PHE 110 HA PHE 110 -1.921 2.117 1.625 809 HB2 PHE 110 HB2 PHE 110 -0.614 3.940 0.775 810 HB3 PHE 110 HB3 PHE 110 -0.702 4.804 2.305 811 HD1 PHE 110 HD1 PHE 110 0.695 1.730 0.734 812 HD2 PHE 110 HD2 PHE 110 0.953 4.573 3.886 813 HE1 PHE 110 HE1 PHE 110 2.811 0.710 1.481 814 HE2 PHE 110 HE2 PHE 110 3.059 3.559 4.641 815 HZ PHE 110 HZ PHE 110 3.985 1.623 3.450 816 H PHE 111 H PHE 111 -2.027 4.451 4.313 817 HA PHE 111 HA PHE 111 -0.922 2.654 6.210 818 HB2 PHE 111 HB2 PHE 111 -2.340 5.293 6.447 819 HB3 PHE 111 HB3 PHE 111 -1.915 4.367 7.882 820 HD1 PHE 111 HD1 PHE 111 0.408 4.094 8.542 821 HD2 PHE 111 HD2 PHE 111 -0.617 6.357 5.095 822 HE1 PHE 111 HE1 PHE 111 2.659 5.080 8.525 823 HE2 PHE 111 HE2 PHE 111 1.637 7.343 5.072 824 HZ PHE 111 HZ PHE 111 3.278 6.706 6.789 825 H ASP 112 H ASP 112 -4.178 3.254 5.127 826 HA ASP 112 HA ASP 112 -5.667 2.102 7.225 827 HB2 ASP 112 HB2 ASP 112 -6.325 3.382 4.972 828 HB3 ASP 112 HB3 ASP 112 -6.549 1.743 4.412 829 H LEU 113 H LEU 113 -4.358 0.759 4.244 830 HA LEU 113 HA LEU 113 -5.359 -1.881 4.721 831 HB2 LEU 113 HB2 LEU 113 -3.885 -0.479 2.598 832 HB3 LEU 113 HB3 LEU 113 -3.541 -2.173 2.749 833 HG LEU 113 HG LEU 113 -5.225 -1.924 1.083 834 HD11 LEU 113 HD11 LEU 113 -6.452 -2.902 3.647 835 HD12 LEU 113 HD12 LEU 113 -5.456 -3.842 2.535 836 HD13 LEU 113 HD13 LEU 113 -7.038 -3.252 2.021 837 HD21 LEU 113 HD21 LEU 113 -6.080 0.273 1.695 838 HD22 LEU 113 HD22 LEU 113 -6.840 -0.409 3.134 839 HD23 LEU 113 HD23 LEU 113 -7.396 -0.890 1.530 840 H ALA 114 H ALA 114 -2.321 -0.209 5.199 841 HA ALA 114 HA ALA 114 -0.696 -2.415 5.839 842 HB1 ALA 114 HB1 ALA 114 0.770 -0.803 6.899 843 HB2 ALA 114 HB2 ALA 114 -0.518 0.401 6.887 844 HB3 ALA 114 HB3 ALA 114 0.165 -0.173 5.366 845 H GLN 115 H GLN 115 -2.961 -0.536 7.777 846 HA GLN 115 HA GLN 115 -2.365 -1.641 10.313 847 HB2 GLN 115 HB2 GLN 115 -4.824 -0.344 9.164 848 HB3 GLN 115 HB3 GLN 115 -4.783 -0.940 10.818 849 HG2 GLN 115 HG2 GLN 115 -3.028 0.570 11.385 850 HG3 GLN 115 HG3 GLN 115 -2.848 1.069 9.705 851 HE21 GLN 115 HE21 GLN 115 -4.293 2.508 8.825 852 HE22 GLN 115 HE22 GLN 115 -5.445 3.383 9.776 853 H LYS 116 H LYS 116 -4.647 -2.579 7.770 854 HA LYS 116 HA LYS 116 -5.765 -4.747 9.212 855 HB2 LYS 116 HB2 LYS 116 -5.908 -3.973 6.311 856 HB3 LYS 116 HB3 LYS 116 -6.817 -5.306 7.022 857 HG2 LYS 116 HG2 LYS 116 -7.773 -3.685 8.657 858 HG3 LYS 116 HG3 LYS 116 -6.999 -2.390 7.749 859 HD2 LYS 116 HD2 LYS 116 -8.898 -4.343 6.504 860 HD3 LYS 116 HD3 LYS 116 -9.431 -2.847 7.260 861 HE2 LYS 116 HE2 LYS 116 -7.942 -1.607 5.702 862 HE3 LYS 116 HE3 LYS 116 -7.594 -3.136 4.892 863 HZ1 LYS 116 HZ1 LYS 116 -9.947 -3.367 4.390 864 HZ2 LYS 116 HZ2 LYS 116 -9.348 -1.912 3.761 865 HZ3 LYS 116 HZ3 LYS 116 -10.281 -1.901 5.173 866 H ALA 117 H ALA 117 -2.934 -4.500 7.180 867 HA ALA 117 HA ALA 117 -2.583 -7.261 6.677 868 HB1 ALA 117 HB1 ALA 117 -0.257 -6.700 6.235 869 HB2 ALA 117 HB2 ALA 117 -0.493 -5.117 6.979 870 HB3 ALA 117 HB3 ALA 117 -1.343 -5.529 5.489 871 H LEU 118 H LEU 118 -2.023 -5.290 9.471 872 HA LEU 118 HA LEU 118 -0.570 -7.474 10.796 873 HB2 LEU 118 HB2 LEU 118 -0.596 -4.525 11.391 874 HB3 LEU 118 HB3 LEU 118 0.358 -5.732 12.237 875 HG LEU 118 HG LEU 118 0.673 -5.503 9.290 876 HD11 LEU 118 HD11 LEU 118 2.315 -3.744 9.577 877 HD12 LEU 118 HD12 LEU 118 1.889 -3.622 11.288 878 HD13 LEU 118 HD13 LEU 118 0.697 -3.220 10.046 879 HD21 LEU 118 HD21 LEU 118 1.815 -7.264 10.514 880 HD22 LEU 118 HD22 LEU 118 2.556 -6.062 11.573 881 HD23 LEU 118 HD23 LEU 118 2.969 -6.102 9.858 882 H LYS 119 H LYS 119 -3.637 -6.552 10.616 883 HA LYS 119 HA LYS 119 -4.357 -6.047 13.327 884 HB2 LYS 119 HB2 LYS 119 -6.683 -6.407 12.641 885 HB3 LYS 119 HB3 LYS 119 -5.827 -5.362 11.516 886 HG2 LYS 119 HG2 LYS 119 -5.624 -7.163 9.930 887 HG3 LYS 119 HG3 LYS 119 -6.346 -8.297 11.074 888 HD2 LYS 119 HD2 LYS 119 -7.846 -5.845 10.234 889 HD3 LYS 119 HD3 LYS 119 -7.797 -7.258 9.178 890 HE2 LYS 119 HE2 LYS 119 -8.673 -7.329 12.063 891 HE3 LYS 119 HE3 LYS 119 -9.779 -7.179 10.697 892 HZ1 LYS 119 HZ1 LYS 119 -9.534 -9.477 11.509 893 HZ2 LYS 119 HZ2 LYS 119 -7.891 -9.441 11.100 894 HZ3 LYS 119 HZ3 LYS 119 -9.069 -9.316 9.890 895 H ASP 120 H ASP 120 -3.993 -8.997 11.493 896 HA ASP 120 HA ASP 120 -4.823 -10.614 13.781 897 HB2 ASP 120 HB2 ASP 120 -3.921 -11.375 10.992 898 HB3 ASP 120 HB3 ASP 120 -4.324 -12.544 12.244 899 H ALA 121 H ALA 121 -2.040 -9.364 12.254 900 HA ALA 121 HA ALA 121 0.191 -9.641 12.300 901 HB1 ALA 121 HB1 ALA 121 -0.251 -8.785 14.564 902 HB2 ALA 121 HB2 ALA 121 1.219 -9.754 14.452 903 HB3 ALA 121 HB3 ALA 121 -0.243 -10.444 15.167 904 H GLU 122 H GLU 122 -1.344 -12.016 11.529 905 HA GLU 122 HA GLU 122 0.914 -13.808 11.408 906 HB2 GLU 122 HB2 GLU 122 -0.440 -15.778 12.094 907 HB3 GLU 122 HB3 GLU 122 -0.115 -14.637 13.387 908 HG2 GLU 122 HG2 GLU 122 -2.392 -13.707 13.073 909 HG3 GLU 122 HG3 GLU 122 -2.702 -14.988 11.896 910 H LYS 123 H LYS 123 -0.750 -12.104 9.647 911 HA LYS 123 HA LYS 123 -2.143 -13.899 7.860 912 HB2 LYS 123 HB2 LYS 123 -1.429 -10.969 7.661 913 HB3 LYS 123 HB3 LYS 123 -2.352 -11.839 6.445 914 HG2 LYS 123 HG2 LYS 123 -4.123 -12.265 8.013 915 HG3 LYS 123 HG3 LYS 123 -3.186 -11.549 9.324 916 HD2 LYS 123 HD2 LYS 123 -4.872 -9.993 8.531 917 HD3 LYS 123 HD3 LYS 123 -3.259 -9.381 8.173 918 HE2 LYS 123 HE2 LYS 123 -4.728 -9.013 6.282 919 HE3 LYS 123 HE3 LYS 123 -3.483 -10.186 5.861 920 HZ1 LYS 123 HZ1 LYS 123 -5.630 -10.881 5.040 921 HZ2 LYS 123 HZ2 LYS 123 -6.294 -10.810 6.597 922 HZ3 LYS 123 HZ3 LYS 123 -5.103 -11.959 6.235 923 H LEU 124 H LEU 124 -1.007 -15.187 6.533 924 HA LEU 124 HA LEU 124 1.782 -14.601 6.132 925 HB2 LEU 124 HB2 LEU 124 2.082 -16.868 5.388 926 HB3 LEU 124 HB3 LEU 124 1.240 -16.820 6.906 927 HG LEU 124 HG LEU 124 0.376 -18.651 5.704 928 HD11 LEU 124 HD11 LEU 124 -1.984 -18.192 5.313 929 HD12 LEU 124 HD12 LEU 124 -1.650 -16.462 5.409 930 HD13 LEU 124 HD13 LEU 124 -1.386 -17.490 6.818 931 HD21 LEU 124 HD21 LEU 124 1.161 -18.176 3.491 932 HD22 LEU 124 HD22 LEU 124 -0.026 -16.886 3.306 933 HD23 LEU 124 HD23 LEU 124 -0.561 -18.561 3.443 934 H GLU 125 H GLU 125 2.895 -14.786 4.189 935 HA GLU 125 HA GLU 125 1.410 -14.517 1.689 936 HB2 GLU 125 HB2 GLU 125 2.634 -12.321 3.012 937 HB3 GLU 125 HB3 GLU 125 3.700 -12.743 1.680 938 HG2 GLU 125 HG2 GLU 125 0.774 -12.068 1.470 939 HG3 GLU 125 HG3 GLU 125 2.119 -11.014 1.045 940 H HIS 126 H HIS 126 3.359 -14.335 -0.114 941 HA HIS 126 HA HIS 126 5.399 -16.314 0.645 942 HB2 HIS 126 HB2 HIS 126 3.833 -16.214 -1.940 943 HB3 HIS 126 HB3 HIS 126 5.293 -17.170 -1.724 944 HD1 HIS 126 HD1 HIS 126 1.664 -17.166 -1.029 945 HD2 HIS 126 HD2 HIS 126 5.018 -19.352 0.087 946 HE1 HIS 126 HE1 HIS 126 0.779 -19.246 0.074 947 HE2 HIS 126 HE2 HIS 126 2.816 -20.510 0.825 948 H HIS 127 H HIS 127 6.635 -14.464 1.113 949 HA HIS 127 HA HIS 127 8.039 -13.411 -1.254 950 HB2 HIS 127 HB2 HIS 127 7.255 -12.014 1.306 951 HB3 HIS 127 HB3 HIS 127 8.688 -11.503 0.433 952 HD1 HIS 127 HD1 HIS 127 5.402 -12.403 -1.250 953 HD2 HIS 127 HD2 HIS 127 7.732 -9.072 -0.386 954 HE1 HIS 127 HE1 HIS 127 4.335 -10.499 -2.488 955 HE2 HIS 127 HE2 HIS 127 5.675 -8.468 -1.856 956 H HIS 128 H HIS 128 10.320 -12.501 -0.178 957 HA HIS 128 HA HIS 128 11.349 -14.738 1.428 958 HB2 HIS 128 HB2 HIS 128 12.757 -12.758 -0.360 959 HB3 HIS 128 HB3 HIS 128 13.640 -13.678 0.847 960 HD1 HIS 128 HD1 HIS 128 14.855 -14.453 -1.502 961 HD2 HIS 128 HD2 HIS 128 11.058 -15.966 -0.723 962 HE1 HIS 128 HE1 HIS 128 14.614 -16.474 -2.979 963 HE2 HIS 128 HE2 HIS 128 12.256 -17.264 -2.614 964 H HIS 129 H HIS 129 13.291 -11.966 1.611 965 HA HIS 129 HA HIS 129 11.828 -10.533 3.624 966 HB2 HIS 129 HB2 HIS 129 14.048 -12.326 4.434 967 HB3 HIS 129 HB3 HIS 129 14.114 -10.692 5.072 968 HD1 HIS 129 HD1 HIS 129 10.750 -10.800 5.179 969 HD2 HIS 129 HD2 HIS 129 13.552 -13.215 7.084 970 HE1 HIS 129 HE1 HIS 129 9.579 -11.736 7.194 971 HE2 HIS 129 HE2 HIS 129 11.319 -13.094 8.391 972 H HIS 130 H HIS 130 11.969 -8.813 2.352 973 HA HIS 130 HA HIS 130 14.507 -7.936 1.232 974 HB2 HIS 130 HB2 HIS 130 12.356 -7.909 -0.056 975 HB3 HIS 130 HB3 HIS 130 11.737 -6.713 1.068 976 HD1 HIS 130 HD1 HIS 130 15.059 -6.774 -0.822 977 HD2 HIS 130 HD2 HIS 130 11.640 -4.447 -0.393 978 HE1 HIS 130 HE1 HIS 130 15.492 -4.679 -2.152 979 HE2 HIS 130 HE2 HIS 130 13.453 -3.246 -1.796 980 H HIS 131 H HIS 131 15.462 -5.881 1.714 981 HA HIS 131 HA HIS 131 14.627 -4.734 4.285 982 HB2 HIS 131 HB2 HIS 131 17.001 -5.525 4.098 983 HB3 HIS 131 HB3 HIS 131 17.265 -4.334 2.830 984 HD1 HIS 131 HD1 HIS 131 18.072 -2.106 3.586 985 HD2 HIS 131 HD2 HIS 131 16.305 -4.260 6.676 986 HE1 HIS 131 HE1 HIS 131 18.458 -0.744 5.666 987 HE2 HIS 131 HE2 HIS 131 17.444 -2.090 7.538 Start of MODEL 13 1 H1 MET 1 H1 MET 1 4.618 -8.297 17.745 2 H2 MET 1 H2 MET 1 3.720 -9.637 17.239 3 H3 MET 1 H3 MET 1 3.113 -8.072 16.999 4 HA MET 1 HA MET 1 3.954 -8.980 14.946 5 HB2 MET 1 HB2 MET 1 5.624 -6.766 16.139 6 HB3 MET 1 HB3 MET 1 5.625 -7.184 14.433 7 HG2 MET 1 HG2 MET 1 3.384 -6.499 14.166 8 HG3 MET 1 HG3 MET 1 3.138 -6.399 15.910 9 HE1 MET 1 HE1 MET 1 6.341 -5.122 13.981 10 HE2 MET 1 HE2 MET 1 5.866 -3.466 13.598 11 HE3 MET 1 HE3 MET 1 5.038 -4.820 12.831 12 H LYS 2 H LYS 2 4.912 -10.896 14.677 13 HA LYS 2 HA LYS 2 7.670 -11.288 15.599 14 HB2 LYS 2 HB2 LYS 2 5.644 -13.169 14.372 15 HB3 LYS 2 HB3 LYS 2 7.297 -13.628 14.763 16 HG2 LYS 2 HG2 LYS 2 6.902 -13.222 17.105 17 HG3 LYS 2 HG3 LYS 2 5.281 -12.620 16.760 18 HD2 LYS 2 HD2 LYS 2 6.177 -15.398 16.041 19 HD3 LYS 2 HD3 LYS 2 5.447 -15.006 17.597 20 HE2 LYS 2 HE2 LYS 2 3.441 -14.219 16.486 21 HE3 LYS 2 HE3 LYS 2 4.177 -14.512 14.910 22 HZ1 LYS 2 HZ1 LYS 2 2.619 -16.272 15.711 23 HZ2 LYS 2 HZ2 LYS 2 3.759 -16.656 16.909 24 HZ3 LYS 2 HZ3 LYS 2 4.159 -16.818 15.270 25 H ASP 3 H ASP 3 9.004 -12.609 13.771 26 HA ASP 3 HA ASP 3 9.153 -10.921 11.500 27 HB2 ASP 3 HB2 ASP 3 10.827 -12.585 10.633 28 HB3 ASP 3 HB3 ASP 3 11.209 -11.884 12.196 29 H GLY 4 H GLY 4 7.783 -10.847 9.943 30 HA2 GLY 4 HA2 GLY 4 6.964 -13.103 8.431 31 HA3 GLY 4 HA3 GLY 4 5.680 -12.564 9.505 32 H THR 5 H THR 5 5.522 -12.574 6.735 33 HA THR 5 HA THR 5 5.778 -9.769 5.914 34 HB THR 5 HB THR 5 5.066 -12.068 4.106 35 HG1 THR 5 HG1 THR 5 7.708 -11.232 4.810 36 HG21 THR 5 HG21 THR 5 6.603 -9.517 3.631 37 HG22 THR 5 HG22 THR 5 4.906 -9.778 3.225 38 HG23 THR 5 HG23 THR 5 6.163 -10.714 2.413 39 H TYR 6 H TYR 6 3.958 -8.673 6.391 40 HA TYR 6 HA TYR 6 1.381 -10.107 6.467 41 HB2 TYR 6 HB2 TYR 6 1.925 -7.346 7.542 42 HB3 TYR 6 HB3 TYR 6 0.600 -8.409 7.955 43 HD1 TYR 6 HD1 TYR 6 2.369 -10.905 8.529 44 HD2 TYR 6 HD2 TYR 6 2.609 -6.828 9.644 45 HE1 TYR 6 HE1 TYR 6 3.544 -11.538 10.590 46 HE2 TYR 6 HE2 TYR 6 3.781 -7.446 11.689 47 HH TYR 6 HH TYR 6 5.171 -10.350 12.221 48 H TYR 7 H TYR 7 0.239 -9.844 4.567 49 HA TYR 7 HA TYR 7 0.291 -7.123 3.476 50 HB2 TYR 7 HB2 TYR 7 0.756 -7.870 1.416 51 HB3 TYR 7 HB3 TYR 7 1.164 -9.393 2.173 52 HD1 TYR 7 HD2 TYR 7 -0.517 -11.259 2.139 53 HD2 TYR 7 HD1 TYR 7 -1.082 -7.653 -0.040 54 HE1 TYR 7 HE2 TYR 7 -2.207 -12.367 0.744 55 HE2 TYR 7 HE1 TYR 7 -2.772 -8.758 -1.439 56 HH TYR 7 HH TYR 7 -4.181 -11.684 -0.647 57 H ALA 8 H ALA 8 -1.617 -6.220 2.731 58 HA ALA 8 HA ALA 8 -4.069 -7.788 3.064 59 HB1 ALA 8 HB1 ALA 8 -3.873 -6.340 5.024 60 HB2 ALA 8 HB2 ALA 8 -5.231 -5.879 3.997 61 HB3 ALA 8 HB3 ALA 8 -3.739 -4.936 3.965 62 H GLU 9 H GLU 9 -5.727 -7.196 1.670 63 HA GLU 9 HA GLU 9 -4.834 -5.548 -0.598 64 HB2 GLU 9 HB2 GLU 9 -6.099 -7.010 -2.054 65 HB3 GLU 9 HB3 GLU 9 -5.010 -7.979 -1.077 66 HG2 GLU 9 HG2 GLU 9 -6.946 -8.471 0.437 67 HG3 GLU 9 HG3 GLU 9 -7.978 -7.659 -0.742 68 H ALA 10 H ALA 10 -6.411 -4.263 -1.644 69 HA ALA 10 HA ALA 10 -8.221 -2.940 0.037 70 HB1 ALA 10 HB1 ALA 10 -8.121 -2.961 -2.979 71 HB2 ALA 10 HB2 ALA 10 -7.206 -1.895 -1.912 72 HB3 ALA 10 HB3 ALA 10 -8.964 -1.779 -1.973 73 H ASP 11 H ASP 11 -10.530 -2.778 -0.172 74 HA ASP 11 HA ASP 11 -11.760 -5.291 0.141 75 HB2 ASP 11 HB2 ASP 11 -13.158 -2.640 -0.283 76 HB3 ASP 11 HB3 ASP 11 -13.812 -4.063 0.527 77 H ASP 12 H ASP 12 -12.212 -2.846 -2.369 78 HA ASP 12 HA ASP 12 -12.576 -5.002 -4.294 79 HB2 ASP 12 HB2 ASP 12 -14.264 -3.596 -5.504 80 HB3 ASP 12 HB3 ASP 12 -14.830 -4.214 -3.960 81 H PHE 13 H PHE 13 -12.738 -3.330 -6.562 82 HA PHE 13 HA PHE 13 -9.946 -2.490 -6.659 83 HB2 PHE 13 HB2 PHE 13 -11.985 -2.778 -8.883 84 HB3 PHE 13 HB3 PHE 13 -10.286 -2.377 -9.108 85 HD1 PHE 13 HD1 PHE 13 -8.544 -4.041 -8.471 86 HD2 PHE 13 HD2 PHE 13 -12.678 -5.037 -8.606 87 HE1 PHE 13 HE1 PHE 13 -7.966 -6.427 -8.526 88 HE2 PHE 13 HE2 PHE 13 -12.100 -7.430 -8.661 89 HZ PHE 13 HZ PHE 13 -9.735 -8.125 -8.616 90 H ASP 14 H ASP 14 -9.254 -0.439 -7.050 91 HA ASP 14 HA ASP 14 -11.141 1.593 -6.183 92 HB2 ASP 14 HB2 ASP 14 -8.671 1.066 -5.374 93 HB3 ASP 14 HB3 ASP 14 -8.235 2.116 -6.714 94 H GLU 15 H GLU 15 -9.353 3.719 -7.498 95 HA GLU 15 HA GLU 15 -11.260 4.119 -9.601 96 HB2 GLU 15 HB2 GLU 15 -9.022 5.872 -8.595 97 HB3 GLU 15 HB3 GLU 15 -10.197 6.356 -9.815 98 HG2 GLU 15 HG2 GLU 15 -12.004 5.999 -8.197 99 HG3 GLU 15 HG3 GLU 15 -10.811 5.558 -6.980 100 H SER 16 H SER 16 -7.879 3.181 -9.510 101 HA SER 16 HA SER 16 -7.772 3.423 -12.434 102 HB2 SER 16 HB2 SER 16 -5.578 2.339 -10.669 103 HB3 SER 16 HB3 SER 16 -5.451 2.979 -12.313 104 HG SER 16 HG SER 16 -6.524 4.887 -10.872 105 H GLY 17 H GLY 17 -9.006 1.305 -10.292 106 HA2 GLY 17 HA2 GLY 17 -9.948 -0.762 -10.752 107 HA3 GLY 17 HA3 GLY 17 -9.052 -0.797 -12.267 108 H TRP 18 H TRP 18 -7.321 -0.120 -9.371 109 HA TRP 18 HA TRP 18 -6.249 -2.851 -9.438 110 HB2 TRP 18 HB2 TRP 18 -4.924 -0.265 -8.590 111 HB3 TRP 18 HB3 TRP 18 -4.233 -1.854 -8.283 112 HD1 TRP 18 HD1 TRP 18 -4.998 0.568 -11.161 113 HE1 TRP 18 HE1 TRP 18 -3.588 -0.116 -13.205 114 HE3 TRP 18 HE3 TRP 18 -2.980 -3.766 -9.377 115 HZ2 TRP 18 HZ2 TRP 18 -1.862 -2.198 -13.949 116 HZ3 TRP 18 HZ3 TRP 18 -1.453 -5.036 -10.816 117 HH2 TRP 18 HH2 TRP 18 -0.907 -4.268 -13.056 118 H LYS 19 H LYS 19 -5.892 -3.902 -7.565 119 HA LYS 19 HA LYS 19 -7.304 -2.932 -5.192 120 HB2 LYS 19 HB2 LYS 19 -7.931 -5.157 -6.161 121 HB3 LYS 19 HB3 LYS 19 -6.283 -5.702 -5.893 122 HG2 LYS 19 HG2 LYS 19 -6.574 -5.389 -3.498 123 HG3 LYS 19 HG3 LYS 19 -8.248 -4.902 -3.780 124 HD2 LYS 19 HD2 LYS 19 -7.184 -7.514 -4.788 125 HD3 LYS 19 HD3 LYS 19 -7.779 -7.339 -3.137 126 HE2 LYS 19 HE2 LYS 19 -9.935 -6.566 -4.015 127 HE3 LYS 19 HE3 LYS 19 -9.330 -6.787 -5.659 128 HZ1 LYS 19 HZ1 LYS 19 -9.201 -9.093 -5.369 129 HZ2 LYS 19 HZ2 LYS 19 -10.700 -8.659 -4.698 130 HZ3 LYS 19 HZ3 LYS 19 -9.378 -8.988 -3.686 131 H ASP 20 H ASP 20 -5.832 -1.639 -4.217 132 HA ASP 20 HA ASP 20 -3.038 -2.057 -4.356 133 HB2 ASP 20 HB2 ASP 20 -4.806 -0.149 -2.922 134 HB3 ASP 20 HB3 ASP 20 -3.162 -0.349 -2.331 135 H THR 21 H THR 21 -1.735 -3.171 -3.168 136 HA THR 21 HA THR 21 -2.747 -4.226 -0.626 137 HB THR 21 HB THR 21 -1.437 -6.225 -0.899 138 HG1 THR 21 HG1 THR 21 -0.141 -4.744 -2.822 139 HG21 THR 21 HG21 THR 21 -2.402 -7.228 -2.924 140 HG22 THR 21 HG22 THR 21 -2.867 -5.622 -3.491 141 HG23 THR 21 HG23 THR 21 -3.595 -6.285 -2.027 142 H VAL 22 H VAL 22 -1.542 -3.939 1.138 143 HA VAL 22 HA VAL 22 1.042 -2.570 0.794 144 HB VAL 22 HB VAL 22 -1.024 -2.097 2.968 145 HG11 VAL 22 HG11 VAL 22 1.758 -0.945 2.744 146 HG12 VAL 22 HG12 VAL 22 1.219 -2.108 3.956 147 HG13 VAL 22 HG13 VAL 22 0.537 -0.482 3.931 148 HG21 VAL 22 HG21 VAL 22 0.183 -0.255 0.908 149 HG22 VAL 22 HG22 VAL 22 -0.961 0.218 2.164 150 HG23 VAL 22 HG23 VAL 22 -1.458 -0.900 0.892 151 H THR 23 H THR 23 2.574 -3.890 1.220 152 HA THR 23 HA THR 23 2.102 -6.136 3.019 153 HB THR 23 HB THR 23 4.447 -5.757 1.155 154 HG1 THR 23 HG1 THR 23 3.171 -6.248 -0.465 155 HG21 THR 23 HG21 THR 23 4.663 -7.472 2.880 156 HG22 THR 23 HG22 THR 23 4.539 -8.194 1.275 157 HG23 THR 23 HG23 THR 23 3.144 -8.191 2.353 158 H ILE 24 H ILE 24 2.706 -5.772 5.028 159 HA ILE 24 HA ILE 24 4.865 -3.922 5.668 160 HB ILE 24 HB ILE 24 2.961 -5.396 7.507 161 HG12 ILE 24 HG12 ILE 24 1.818 -3.835 5.948 162 HG13 ILE 24 HG13 ILE 24 1.656 -3.373 7.639 163 HG21 ILE 24 HG21 ILE 24 5.005 -4.727 8.639 164 HG22 ILE 24 HG22 ILE 24 3.639 -3.759 9.197 165 HG23 ILE 24 HG23 ILE 24 4.800 -3.071 8.061 166 HD11 ILE 24 HD11 ILE 24 3.374 -1.653 7.323 167 HD12 ILE 24 HD12 ILE 24 2.012 -1.437 6.222 168 HD13 ILE 24 HD13 ILE 24 3.523 -2.126 5.629 169 H GLU 25 H GLU 25 6.813 -4.715 5.828 170 HA GLU 25 HA GLU 25 7.183 -7.581 6.203 171 HB2 GLU 25 HB2 GLU 25 8.202 -6.402 4.258 172 HB3 GLU 25 HB3 GLU 25 9.173 -5.471 5.390 173 HG2 GLU 25 HG2 GLU 25 10.591 -7.143 4.717 174 HG3 GLU 25 HG3 GLU 25 9.967 -7.727 6.257 175 H VAL 26 H VAL 26 7.402 -8.176 8.232 176 HA VAL 26 HA VAL 26 8.990 -6.448 9.995 177 HB VAL 26 HB VAL 26 6.881 -8.498 10.761 178 HG11 VAL 26 HG11 VAL 26 7.084 -7.586 13.032 179 HG12 VAL 26 HG12 VAL 26 8.437 -6.585 12.503 180 HG13 VAL 26 HG13 VAL 26 8.585 -8.344 12.494 181 HG21 VAL 26 HG21 VAL 26 5.937 -6.508 9.735 182 HG22 VAL 26 HG22 VAL 26 6.838 -5.487 10.856 183 HG23 VAL 26 HG23 VAL 26 5.571 -6.557 11.458 184 H LYS 27 H LYS 27 10.735 -7.193 10.948 185 HA LYS 27 HA LYS 27 11.494 -9.994 10.961 186 HB2 LYS 27 HB2 LYS 27 12.129 -9.162 8.697 187 HB3 LYS 27 HB3 LYS 27 13.076 -7.894 9.453 188 HG2 LYS 27 HG2 LYS 27 14.524 -9.616 10.456 189 HG3 LYS 27 HG3 LYS 27 13.591 -10.853 9.609 190 HD2 LYS 27 HD2 LYS 27 15.147 -8.605 8.327 191 HD3 LYS 27 HD3 LYS 27 15.633 -10.299 8.381 192 HE2 LYS 27 HE2 LYS 27 13.710 -10.917 7.029 193 HE3 LYS 27 HE3 LYS 27 13.138 -9.249 7.043 194 HZ1 LYS 27 HZ1 LYS 27 15.608 -10.281 5.765 195 HZ2 LYS 27 HZ2 LYS 27 15.238 -8.639 5.910 196 HZ3 LYS 27 HZ3 LYS 27 14.242 -9.652 4.985 197 H ASN 28 H ASN 28 12.730 -10.349 12.749 198 HA ASN 28 HA ASN 28 13.802 -10.043 14.719 199 HB2 ASN 28 HB2 ASN 28 14.625 -7.381 13.530 200 HB3 ASN 28 HB3 ASN 28 15.189 -7.968 15.092 201 HD21 ASN 28 HD21 ASN 28 16.624 -7.300 12.621 202 HD22 ASN 28 HD22 ASN 28 17.540 -8.718 12.231 203 H GLY 29 H GLY 29 11.013 -9.284 14.333 204 HA2 GLY 29 HA2 GLY 29 9.354 -8.630 15.814 205 HA3 GLY 29 HA3 GLY 29 10.578 -7.896 16.827 206 H LYS 30 H LYS 30 11.274 -6.566 13.988 207 HA LYS 30 HA LYS 30 9.479 -4.266 14.404 208 HB2 LYS 30 HB2 LYS 30 11.528 -2.845 13.957 209 HB3 LYS 30 HB3 LYS 30 11.527 -3.700 15.495 210 HG2 LYS 30 HG2 LYS 30 12.952 -5.443 14.482 211 HG3 LYS 30 HG3 LYS 30 13.014 -4.492 12.999 212 HD2 LYS 30 HD2 LYS 30 14.082 -2.665 14.192 213 HD3 LYS 30 HD3 LYS 30 13.969 -3.571 15.705 214 HE2 LYS 30 HE2 LYS 30 15.422 -5.284 14.833 215 HE3 LYS 30 HE3 LYS 30 15.456 -4.496 13.258 216 HZ1 LYS 30 HZ1 LYS 30 17.444 -4.056 14.573 217 HZ2 LYS 30 HZ2 LYS 30 16.499 -3.311 15.766 218 HZ3 LYS 30 HZ3 LYS 30 16.596 -2.635 14.217 219 H ILE 31 H ILE 31 9.570 -2.708 12.483 220 HA ILE 31 HA ILE 31 9.183 -4.314 10.103 221 HB ILE 31 HB ILE 31 8.800 -1.330 10.480 222 HG12 ILE 31 HG12 ILE 31 6.749 -3.555 10.469 223 HG13 ILE 31 HG13 ILE 31 7.360 -2.780 11.923 224 HG21 ILE 31 HG21 ILE 31 9.103 -1.865 8.143 225 HG22 ILE 31 HG22 ILE 31 7.401 -1.513 8.444 226 HG23 ILE 31 HG23 ILE 31 7.937 -3.186 8.254 227 HD11 ILE 31 HD11 ILE 31 6.401 -0.656 11.190 228 HD12 ILE 31 HD12 ILE 31 5.176 -1.919 11.306 229 HD13 ILE 31 HD13 ILE 31 5.795 -1.433 9.727 230 H VAL 32 H VAL 32 10.632 -4.617 8.537 231 HA VAL 32 HA VAL 32 12.993 -2.873 8.488 232 HB VAL 32 HB VAL 32 14.132 -4.662 7.219 233 HG11 VAL 32 HG11 VAL 32 14.386 -6.225 9.084 234 HG12 VAL 32 HG12 VAL 32 12.957 -5.533 9.848 235 HG13 VAL 32 HG13 VAL 32 14.401 -4.545 9.620 236 HG21 VAL 32 HG21 VAL 32 13.154 -6.921 7.145 237 HG22 VAL 32 HG22 VAL 32 12.243 -5.764 6.172 238 HG23 VAL 32 HG23 VAL 32 11.632 -6.265 7.749 239 H SER 33 H SER 33 10.154 -3.585 6.763 240 HA SER 33 HA SER 33 10.907 -1.957 4.519 241 HB2 SER 33 HB2 SER 33 11.953 -4.111 3.903 242 HB3 SER 33 HB3 SER 33 10.405 -4.922 4.115 243 HG SER 33 HG SER 33 9.595 -3.665 2.379 244 H VAL 34 H VAL 34 9.085 -1.419 3.211 245 HA VAL 34 HA VAL 34 6.730 -3.069 3.623 246 HB VAL 34 HB VAL 34 6.211 -1.061 4.884 247 HG11 VAL 34 HG11 VAL 34 6.029 1.118 3.802 248 HG12 VAL 34 HG12 VAL 34 6.741 0.425 2.343 249 HG13 VAL 34 HG13 VAL 34 7.684 0.507 3.832 250 HG21 VAL 34 HG21 VAL 34 4.702 -1.127 2.276 251 HG22 VAL 34 HG22 VAL 34 4.147 -0.365 3.767 252 HG23 VAL 34 HG23 VAL 34 4.370 -2.114 3.699 253 H ASP 35 H ASP 35 5.828 -3.710 1.852 254 HA ASP 35 HA ASP 35 7.143 -2.997 -0.673 255 HB2 ASP 35 HB2 ASP 35 7.563 -5.294 0.112 256 HB3 ASP 35 HB3 ASP 35 5.829 -5.583 0.202 257 H TRP 36 H TRP 36 5.940 -2.266 -2.298 258 HA TRP 36 HA TRP 36 3.050 -2.231 -1.912 259 HB2 TRP 36 HB2 TRP 36 3.127 -0.363 -3.673 260 HB3 TRP 36 HB3 TRP 36 3.703 -0.001 -2.055 261 HD1 TRP 36 HD1 TRP 36 6.319 0.476 -1.759 262 HE1 TRP 36 HE1 TRP 36 8.139 1.175 -3.430 263 HE3 TRP 36 HE3 TRP 36 3.888 -0.674 -6.117 264 HZ2 TRP 36 HZ2 TRP 36 8.495 1.230 -6.237 265 HZ3 TRP 36 HZ3 TRP 36 5.041 -0.263 -8.247 266 HH2 TRP 36 HH2 TRP 36 7.295 0.671 -8.307 267 H ASN 37 H ASN 37 1.730 -3.129 -3.234 268 HA ASN 37 HA ASN 37 2.446 -3.952 -5.924 269 HB2 ASN 37 HB2 ASN 37 3.216 -5.812 -4.394 270 HB3 ASN 37 HB3 ASN 37 1.561 -5.989 -3.840 271 HD21 ASN 37 HD21 ASN 37 1.343 -8.067 -4.507 272 HD22 ASN 37 HD22 ASN 37 1.285 -8.539 -6.170 273 H ALA 38 H ALA 38 0.383 -4.789 -7.018 274 HA ALA 38 HA ALA 38 -2.096 -4.301 -5.593 275 HB1 ALA 38 HB1 ALA 38 -2.955 -2.728 -7.268 276 HB2 ALA 38 HB2 ALA 38 -1.388 -2.734 -8.081 277 HB3 ALA 38 HB3 ALA 38 -1.535 -2.082 -6.447 278 H ILE 39 H ILE 39 -4.004 -4.975 -6.972 279 HA ILE 39 HA ILE 39 -3.223 -6.998 -8.999 280 HB ILE 39 HB ILE 39 -5.602 -7.228 -7.123 281 HG12 ILE 39 HG12 ILE 39 -2.997 -8.762 -6.950 282 HG13 ILE 39 HG13 ILE 39 -3.397 -7.393 -5.923 283 HG21 ILE 39 HG21 ILE 39 -5.888 -8.392 -9.242 284 HG22 ILE 39 HG22 ILE 39 -5.686 -9.552 -7.929 285 HG23 ILE 39 HG23 ILE 39 -4.342 -9.217 -9.022 286 HD11 ILE 39 HD11 ILE 39 -4.904 -9.992 -6.050 287 HD12 ILE 39 HD12 ILE 39 -5.296 -8.618 -5.015 288 HD13 ILE 39 HD13 ILE 39 -3.784 -9.499 -4.779 289 H ASN 40 H ASN 40 -4.201 -6.688 -10.982 290 HA ASN 40 HA ASN 40 -6.041 -4.425 -11.140 291 HB2 ASN 40 HB2 ASN 40 -4.082 -4.485 -12.633 292 HB3 ASN 40 HB3 ASN 40 -4.714 -5.941 -13.389 293 HD21 ASN 40 HD21 ASN 40 -5.686 -2.610 -12.641 294 HD22 ASN 40 HD22 ASN 40 -6.513 -2.350 -14.134 295 H LYS 41 H LYS 41 -8.003 -4.423 -11.879 296 HA LYS 41 HA LYS 41 -9.695 -6.626 -11.646 297 HB2 LYS 41 HB2 LYS 41 -10.297 -4.270 -11.284 298 HB3 LYS 41 HB3 LYS 41 -10.116 -3.963 -13.001 299 HG2 LYS 41 HG2 LYS 41 -11.983 -5.519 -13.430 300 HG3 LYS 41 HG3 LYS 41 -12.188 -5.694 -11.683 301 HD2 LYS 41 HD2 LYS 41 -12.655 -3.350 -11.445 302 HD3 LYS 41 HD3 LYS 41 -12.278 -3.059 -13.143 303 HE2 LYS 41 HE2 LYS 41 -14.563 -4.709 -12.076 304 HE3 LYS 41 HE3 LYS 41 -14.682 -3.098 -12.785 305 HZ1 LYS 41 HZ1 LYS 41 -13.969 -5.636 -14.127 306 HZ2 LYS 41 HZ2 LYS 41 -13.656 -4.130 -14.828 307 HZ3 LYS 41 HZ3 LYS 41 -15.251 -4.586 -14.485 308 H ASP 42 H ASP 42 -8.575 -4.923 -14.568 309 HA ASP 42 HA ASP 42 -10.163 -6.420 -16.385 310 HB2 ASP 42 HB2 ASP 42 -9.347 -4.127 -16.849 311 HB3 ASP 42 HB3 ASP 42 -7.699 -4.734 -16.932 312 H GLY 43 H GLY 43 -6.801 -6.650 -15.353 313 HA2 GLY 43 HA2 GLY 43 -6.180 -8.780 -17.211 314 HA3 GLY 43 HA3 GLY 43 -5.112 -8.119 -15.982 315 H GLY 44 H GLY 44 -6.863 -8.461 -13.783 316 HA2 GLY 44 HA2 GLY 44 -7.771 -10.088 -12.379 317 HA3 GLY 44 HA3 GLY 44 -7.466 -11.295 -13.619 318 H ASP 45 H ASP 45 -4.725 -9.442 -13.185 319 HA ASP 45 HA ASP 45 -3.575 -11.468 -11.403 320 HB2 ASP 45 HB2 ASP 45 -3.126 -11.267 -14.126 321 HB3 ASP 45 HB3 ASP 45 -1.734 -10.439 -13.424 322 H ASP 46 H ASP 46 -1.199 -10.736 -10.882 323 HA ASP 46 HA ASP 46 -1.536 -8.311 -9.344 324 HB2 ASP 46 HB2 ASP 46 0.652 -10.380 -9.513 325 HB3 ASP 46 HB3 ASP 46 0.822 -8.923 -8.542 326 H LYS 47 H LYS 47 0.123 -6.686 -9.238 327 HA LYS 47 HA LYS 47 0.700 -5.341 -11.566 328 HB2 LYS 47 HB2 LYS 47 0.610 -4.472 -9.237 329 HB3 LYS 47 HB3 LYS 47 2.178 -5.207 -8.939 330 HG2 LYS 47 HG2 LYS 47 3.113 -3.336 -9.616 331 HG3 LYS 47 HG3 LYS 47 2.479 -3.643 -11.234 332 HD2 LYS 47 HD2 LYS 47 0.405 -2.488 -10.626 333 HD3 LYS 47 HD3 LYS 47 1.070 -2.163 -9.022 334 HE2 LYS 47 HE2 LYS 47 2.301 -1.269 -11.608 335 HE3 LYS 47 HE3 LYS 47 1.274 -0.265 -10.589 336 HZ1 LYS 47 HZ1 LYS 47 3.848 -1.482 -9.732 337 HZ2 LYS 47 HZ2 LYS 47 2.882 -0.427 -8.823 338 HZ3 LYS 47 HZ3 LYS 47 3.654 0.126 -10.226 339 H ASP 48 H ASP 48 2.710 -7.589 -9.758 340 HA ASP 48 HA ASP 48 5.130 -7.203 -11.151 341 HB2 ASP 48 HB2 ASP 48 4.908 -8.294 -8.918 342 HB3 ASP 48 HB3 ASP 48 4.171 -9.689 -9.703 343 H THR 49 H THR 49 2.539 -9.616 -11.544 344 HA THR 49 HA THR 49 3.877 -11.022 -13.634 345 HB THR 49 HB THR 49 0.949 -11.243 -12.956 346 HG1 THR 49 HG1 THR 49 1.528 -12.549 -11.256 347 HG21 THR 49 HG21 THR 49 1.300 -13.602 -13.593 348 HG22 THR 49 HG22 THR 49 2.988 -13.244 -13.964 349 HG23 THR 49 HG23 THR 49 1.698 -12.512 -14.918 350 H LEU 50 H LEU 50 1.359 -8.521 -13.557 351 HA LEU 50 HA LEU 50 0.710 -8.709 -16.313 352 HB2 LEU 50 HB2 LEU 50 0.298 -6.518 -14.299 353 HB3 LEU 50 HB3 LEU 50 -0.200 -6.364 -15.974 354 HG LEU 50 HG LEU 50 -1.190 -8.452 -14.032 355 HD11 LEU 50 HD11 LEU 50 -3.297 -7.245 -14.194 356 HD12 LEU 50 HD12 LEU 50 -2.525 -6.035 -15.221 357 HD13 LEU 50 HD13 LEU 50 -2.013 -6.227 -13.544 358 HD21 LEU 50 HD21 LEU 50 -2.788 -9.028 -15.797 359 HD22 LEU 50 HD22 LEU 50 -1.125 -9.308 -16.318 360 HD23 LEU 50 HD23 LEU 50 -2.001 -7.885 -16.887 361 H SER 51 H SER 51 3.145 -6.796 -14.577 362 HA SER 51 HA SER 51 3.978 -5.362 -16.900 363 HB2 SER 51 HB2 SER 51 5.550 -5.983 -14.386 364 HB3 SER 51 HB3 SER 51 5.934 -4.740 -15.577 365 HG SER 51 HG SER 51 4.016 -4.756 -13.579 366 H ARG 52 H ARG 52 4.699 -8.486 -15.562 367 HA ARG 52 HA ARG 52 7.026 -9.087 -17.083 368 HB2 ARG 52 HB2 ARG 52 6.591 -10.238 -15.016 369 HB3 ARG 52 HB3 ARG 52 5.034 -10.799 -15.592 370 HG2 ARG 52 HG2 ARG 52 6.126 -12.254 -17.192 371 HG3 ARG 52 HG3 ARG 52 7.703 -11.649 -16.683 372 HD2 ARG 52 HD2 ARG 52 7.458 -12.594 -14.519 373 HD3 ARG 52 HD3 ARG 52 5.760 -12.974 -14.808 374 HE ARG 52 HE ARG 52 6.598 -14.561 -16.537 375 HH11 ARG 52 HH11 ARG 52 8.711 -13.651 -13.874 376 HH12 ARG 52 HH12 ARG 52 9.610 -15.133 -13.937 377 HH21 ARG 52 HH21 ARG 52 7.762 -16.500 -16.595 378 HH22 ARG 52 HH22 ARG 52 9.065 -16.759 -15.476 379 H ASN 53 H ASN 53 3.555 -9.698 -17.566 380 HA ASN 53 HA ASN 53 4.021 -11.194 -20.000 381 HB2 ASN 53 HB2 ASN 53 1.472 -10.262 -18.664 382 HB3 ASN 53 HB3 ASN 53 1.506 -11.190 -20.158 383 HD21 ASN 53 HD21 ASN 53 0.302 -11.895 -17.647 384 HD22 ASN 53 HD22 ASN 53 1.061 -13.359 -17.113 385 H GLY 54 H GLY 54 3.298 -7.925 -19.126 386 HA2 GLY 54 HA2 GLY 54 3.550 -6.063 -20.553 387 HA3 GLY 54 HA3 GLY 54 3.386 -7.133 -21.938 388 H GLY 55 H GLY 55 1.193 -7.148 -19.207 389 HA2 GLY 55 HA2 GLY 55 -0.903 -5.971 -20.922 390 HA3 GLY 55 HA3 GLY 55 -1.192 -7.400 -19.946 391 H TYR 56 H TYR 56 0.550 -4.428 -19.118 392 HA TYR 56 HA TYR 56 -0.858 -4.068 -16.676 393 HB2 TYR 56 HB2 TYR 56 1.447 -3.255 -16.980 394 HB3 TYR 56 HB3 TYR 56 0.909 -2.137 -18.222 395 HD1 TYR 56 HD1 TYR 56 -0.381 -0.123 -17.601 396 HD2 TYR 56 HD2 TYR 56 1.153 -2.753 -14.635 397 HE1 TYR 56 HE1 TYR 56 -0.767 1.592 -15.903 398 HE2 TYR 56 HE2 TYR 56 0.768 -1.026 -12.923 399 HH TYR 56 HH TYR 56 -1.013 1.887 -13.644 400 H LYS 57 H LYS 57 -3.020 -3.867 -16.952 401 HA LYS 57 HA LYS 57 -4.004 -1.639 -18.562 402 HB2 LYS 57 HB2 LYS 57 -5.464 -3.847 -17.109 403 HB3 LYS 57 HB3 LYS 57 -6.240 -2.580 -18.044 404 HG2 LYS 57 HG2 LYS 57 -4.276 -4.551 -19.179 405 HG3 LYS 57 HG3 LYS 57 -6.031 -4.741 -19.231 406 HD2 LYS 57 HD2 LYS 57 -6.163 -2.564 -20.434 407 HD3 LYS 57 HD3 LYS 57 -4.398 -2.549 -20.508 408 HE2 LYS 57 HE2 LYS 57 -5.297 -3.411 -22.583 409 HE3 LYS 57 HE3 LYS 57 -4.461 -4.699 -21.717 410 HZ1 LYS 57 HZ1 LYS 57 -6.528 -5.516 -22.583 411 HZ2 LYS 57 HZ2 LYS 57 -7.397 -4.271 -21.840 412 HZ3 LYS 57 HZ3 LYS 57 -6.646 -5.454 -20.893 413 H MET 58 H MET 58 -5.253 -0.005 -17.739 414 HA MET 58 HA MET 58 -5.915 -0.051 -14.884 415 HB2 MET 58 HB2 MET 58 -4.945 2.383 -16.422 416 HB3 MET 58 HB3 MET 58 -5.739 2.470 -14.855 417 HG2 MET 58 HG2 MET 58 -3.858 0.880 -14.080 418 HG3 MET 58 HG3 MET 58 -3.037 1.396 -15.549 419 HE1 MET 58 HE1 MET 58 -2.502 5.213 -14.920 420 HE2 MET 58 HE2 MET 58 -3.772 4.426 -15.860 421 HE3 MET 58 HE3 MET 58 -2.111 3.841 -15.955 422 H VAL 59 H VAL 59 -7.961 1.167 -14.454 423 HA VAL 59 HA VAL 59 -9.609 1.201 -16.859 424 HB VAL 59 HB VAL 59 -11.591 1.204 -15.525 425 HG11 VAL 59 HG11 VAL 59 -11.360 -0.890 -14.285 426 HG12 VAL 59 HG12 VAL 59 -9.606 -0.754 -14.389 427 HG13 VAL 59 HG13 VAL 59 -10.562 -0.960 -15.857 428 HG21 VAL 59 HG21 VAL 59 -11.596 1.228 -13.096 429 HG22 VAL 59 HG22 VAL 59 -10.895 2.712 -13.741 430 HG23 VAL 59 HG23 VAL 59 -9.847 1.455 -13.079 431 H GLU 60 H GLU 60 -7.925 3.300 -14.876 432 HA GLU 60 HA GLU 60 -9.045 5.522 -16.373 433 HB2 GLU 60 HB2 GLU 60 -10.074 5.573 -14.101 434 HB3 GLU 60 HB3 GLU 60 -8.468 5.671 -13.401 435 HG2 GLU 60 HG2 GLU 60 -9.610 7.839 -13.484 436 HG3 GLU 60 HG3 GLU 60 -8.108 7.823 -14.402 437 H TYR 61 H TYR 61 -7.448 6.191 -17.548 438 HA TYR 61 HA TYR 61 -4.689 5.973 -16.602 439 HB2 TYR 61 HB2 TYR 61 -5.813 6.561 -19.347 440 HB3 TYR 61 HB3 TYR 61 -4.100 6.490 -18.974 441 HD1 TYR 61 HD1 TYR 61 -3.012 4.364 -18.556 442 HD2 TYR 61 HD2 TYR 61 -7.142 4.541 -19.524 443 HE1 TYR 61 HE1 TYR 61 -2.997 1.958 -19.036 444 HE2 TYR 61 HE2 TYR 61 -7.139 2.137 -20.003 445 HH TYR 61 HH TYR 61 -5.633 0.373 -20.575 446 H GLY 62 H GLY 62 -7.095 8.276 -17.592 447 HA2 GLY 62 HA2 GLY 62 -5.138 10.426 -17.846 448 HA3 GLY 62 HA3 GLY 62 -6.814 10.488 -18.356 449 H GLY 63 H GLY 63 -7.898 9.575 -15.832 450 HA2 GLY 63 HA2 GLY 63 -7.831 12.131 -14.453 451 HA3 GLY 63 HA3 GLY 63 -8.939 10.805 -14.146 452 H ALA 64 H ALA 64 -8.631 9.611 -12.383 453 HA ALA 64 HA ALA 64 -6.282 10.212 -10.779 454 HB1 ALA 64 HB1 ALA 64 -8.492 10.426 -9.743 455 HB2 ALA 64 HB2 ALA 64 -7.462 9.258 -8.914 456 HB3 ALA 64 HB3 ALA 64 -8.755 8.697 -9.977 457 H GLN 65 H GLN 65 -4.646 9.067 -11.458 458 HA GLN 65 HA GLN 65 -4.867 6.147 -11.473 459 HB2 GLN 65 HB2 GLN 65 -2.484 6.324 -12.461 460 HB3 GLN 65 HB3 GLN 65 -3.851 6.710 -13.484 461 HG2 GLN 65 HG2 GLN 65 -2.178 8.300 -13.946 462 HG3 GLN 65 HG3 GLN 65 -3.405 9.132 -13.004 463 HE21 GLN 65 HE21 GLN 65 -2.888 9.929 -10.990 464 HE22 GLN 65 HE22 GLN 65 -1.281 9.955 -10.366 465 H ALA 66 H ALA 66 -4.979 7.626 -9.059 466 HA ALA 66 HA ALA 66 -2.319 7.630 -7.910 467 HB1 ALA 66 HB1 ALA 66 -3.796 9.549 -7.601 468 HB2 ALA 66 HB2 ALA 66 -3.320 8.827 -6.063 469 HB3 ALA 66 HB3 ALA 66 -4.932 8.530 -6.718 470 H GLU 67 H GLU 67 -2.286 5.247 -8.118 471 HA GLU 67 HA GLU 67 -3.069 4.095 -5.538 472 HB2 GLU 67 HB2 GLU 67 -3.078 2.676 -8.222 473 HB3 GLU 67 HB3 GLU 67 -3.283 1.872 -6.668 474 HG2 GLU 67 HG2 GLU 67 -5.241 3.563 -6.359 475 HG3 GLU 67 HG3 GLU 67 -5.144 3.716 -8.108 476 H TRP 68 H TRP 68 -1.463 1.674 -5.831 477 HA TRP 68 HA TRP 68 1.064 2.958 -5.312 478 HB2 TRP 68 HB2 TRP 68 0.356 0.031 -5.136 479 HB3 TRP 68 HB3 TRP 68 1.901 0.725 -4.644 480 HD1 TRP 68 HD1 TRP 68 -0.520 -0.670 -2.825 481 HE1 TRP 68 HE1 TRP 68 -1.316 0.615 -0.748 482 HE3 TRP 68 HE3 TRP 68 1.311 3.970 -3.964 483 HZ2 TRP 68 HZ2 TRP 68 -1.169 3.239 0.262 484 HZ3 TRP 68 HZ3 TRP 68 0.953 5.802 -2.379 485 HH2 TRP 68 HH2 TRP 68 -0.261 5.442 -0.309 486 H HIS 69 H HIS 69 1.788 3.788 -7.075 487 HA HIS 69 HA HIS 69 2.676 1.972 -9.206 488 HB2 HIS 69 HB2 HIS 69 1.463 4.736 -9.567 489 HB3 HIS 69 HB3 HIS 69 2.138 3.757 -10.855 490 HD1 HIS 69 HD1 HIS 69 -0.945 4.818 -10.358 491 HD2 HIS 69 HD2 HIS 69 0.513 0.935 -10.087 492 HE1 HIS 69 HE1 HIS 69 -2.936 3.317 -10.684 493 HE2 HIS 69 HE2 HIS 69 -2.057 0.987 -10.372 494 H GLU 70 H GLU 70 3.295 5.326 -9.674 495 HA GLU 70 HA GLU 70 6.122 4.926 -9.121 496 HB2 GLU 70 HB2 GLU 70 4.627 7.305 -10.261 497 HB3 GLU 70 HB3 GLU 70 6.364 7.254 -10.027 498 HG2 GLU 70 HG2 GLU 70 6.022 6.835 -12.302 499 HG3 GLU 70 HG3 GLU 70 6.384 5.267 -11.590 500 H GLN 71 H GLN 71 3.374 6.527 -7.764 501 HA GLN 71 HA GLN 71 4.833 8.431 -6.181 502 HB2 GLN 71 HB2 GLN 71 1.907 7.692 -6.294 503 HB3 GLN 71 HB3 GLN 71 2.559 9.032 -5.357 504 HG2 GLN 71 HG2 GLN 71 3.235 10.192 -7.298 505 HG3 GLN 71 HG3 GLN 71 2.980 8.778 -8.316 506 HE21 GLN 71 HE21 GLN 71 1.946 11.479 -8.522 507 HE22 GLN 71 HE22 GLN 71 0.218 11.338 -8.540 508 H ALA 72 H ALA 72 4.236 5.213 -5.806 509 HA ALA 72 HA ALA 72 3.598 4.995 -3.041 510 HB1 ALA 72 HB1 ALA 72 3.061 3.267 -4.678 511 HB2 ALA 72 HB2 ALA 72 4.055 2.634 -3.362 512 HB3 ALA 72 HB3 ALA 72 4.781 2.979 -4.931 513 H GLU 73 H GLU 73 6.531 5.387 -4.829 514 HA GLU 73 HA GLU 73 8.442 4.250 -3.126 515 HB2 GLU 73 HB2 GLU 73 8.792 4.898 -5.484 516 HB3 GLU 73 HB3 GLU 73 8.713 6.589 -5.031 517 HG2 GLU 73 HG2 GLU 73 10.994 5.977 -5.380 518 HG3 GLU 73 HG3 GLU 73 10.748 6.265 -3.656 519 H LYS 74 H LYS 74 6.953 7.453 -3.072 520 HA LYS 74 HA LYS 74 8.667 8.592 -1.111 521 HB2 LYS 74 HB2 LYS 74 5.955 9.280 -2.189 522 HB3 LYS 74 HB3 LYS 74 6.598 10.143 -0.802 523 HG2 LYS 74 HG2 LYS 74 7.987 9.945 -3.466 524 HG3 LYS 74 HG3 LYS 74 6.962 11.293 -2.962 525 HD2 LYS 74 HD2 LYS 74 8.446 11.672 -1.037 526 HD3 LYS 74 HD3 LYS 74 9.478 10.356 -1.594 527 HE2 LYS 74 HE2 LYS 74 8.878 12.866 -3.155 528 HE3 LYS 74 HE3 LYS 74 10.337 12.590 -2.205 529 HZ1 LYS 74 HZ1 LYS 74 9.459 11.049 -4.581 530 HZ2 LYS 74 HZ2 LYS 74 10.805 10.663 -3.632 531 HZ3 LYS 74 HZ3 LYS 74 10.768 12.120 -4.495 532 H VAL 75 H VAL 75 5.584 6.909 -0.971 533 HA VAL 75 HA VAL 75 5.067 7.563 1.756 534 HB VAL 75 HB VAL 75 3.650 5.432 0.147 535 HG11 VAL 75 HG11 VAL 75 1.741 6.041 1.541 536 HG12 VAL 75 HG12 VAL 75 2.734 7.232 2.382 537 HG13 VAL 75 HG13 VAL 75 3.110 5.513 2.521 538 HG21 VAL 75 HG21 VAL 75 3.032 8.384 0.213 539 HG22 VAL 75 HG22 VAL 75 2.104 7.136 -0.621 540 HG23 VAL 75 HG23 VAL 75 3.739 7.524 -1.159 541 H GLU 76 H GLU 76 6.465 4.772 0.106 542 HA GLU 76 HA GLU 76 6.242 2.953 2.262 543 HB2 GLU 76 HB2 GLU 76 7.781 1.516 1.059 544 HB3 GLU 76 HB3 GLU 76 6.581 2.175 -0.038 545 HG2 GLU 76 HG2 GLU 76 8.114 3.267 -1.261 546 HG3 GLU 76 HG3 GLU 76 9.097 3.686 0.141 547 H ALA 77 H ALA 77 8.768 5.263 1.402 548 HA ALA 77 HA ALA 77 10.775 4.384 3.160 549 HB1 ALA 77 HB1 ALA 77 10.257 7.172 2.159 550 HB2 ALA 77 HB2 ALA 77 11.166 5.924 1.306 551 HB3 ALA 77 HB3 ALA 77 11.771 6.569 2.832 552 H TYR 78 H TYR 78 7.984 6.399 3.661 553 HA TYR 78 HA TYR 78 8.710 7.497 6.173 554 HB2 TYR 78 HB2 TYR 78 7.018 8.457 4.656 555 HB3 TYR 78 HB3 TYR 78 5.971 7.083 4.976 556 HD1 TYR 78 HD2 TYR 78 7.812 9.750 6.840 557 HD2 TYR 78 HD1 TYR 78 4.327 7.325 6.571 558 HE1 TYR 78 HE2 TYR 78 6.839 10.949 8.752 559 HE2 TYR 78 HE1 TYR 78 3.349 8.512 8.483 560 HH TYR 78 HH TYR 78 4.687 11.402 9.742 561 H LEU 79 H LEU 79 7.018 4.530 5.263 562 HA LEU 79 HA LEU 79 6.049 3.950 7.881 563 HB2 LEU 79 HB2 LEU 79 5.212 3.106 5.610 564 HB3 LEU 79 HB3 LEU 79 6.521 1.957 5.674 565 HG LEU 79 HG LEU 79 4.146 1.203 6.334 566 HD11 LEU 79 HD11 LEU 79 6.077 -0.211 6.613 567 HD12 LEU 79 HD12 LEU 79 4.983 -0.371 7.988 568 HD13 LEU 79 HD13 LEU 79 6.462 0.579 8.142 569 HD21 LEU 79 HD21 LEU 79 3.592 1.459 8.711 570 HD22 LEU 79 HD22 LEU 79 3.594 3.000 7.849 571 HD23 LEU 79 HD23 LEU 79 4.951 2.572 8.892 572 H VAL 80 H VAL 80 9.003 3.167 6.137 573 HA VAL 80 HA VAL 80 9.951 1.206 7.974 574 HB VAL 80 HB VAL 80 11.612 2.873 6.051 575 HG11 VAL 80 HG11 VAL 80 13.183 1.003 6.090 576 HG12 VAL 80 HG12 VAL 80 12.165 0.163 7.259 577 HG13 VAL 80 HG13 VAL 80 12.958 1.672 7.707 578 HG21 VAL 80 HG21 VAL 80 9.794 1.759 4.865 579 HG22 VAL 80 HG22 VAL 80 10.258 0.216 5.586 580 HG23 VAL 80 HG23 VAL 80 11.349 1.029 4.463 581 H GLU 81 H GLU 81 10.357 4.756 7.815 582 HA GLU 81 HA GLU 81 12.186 4.721 10.036 583 HB2 GLU 81 HB2 GLU 81 12.035 7.155 10.045 584 HB3 GLU 81 HB3 GLU 81 12.358 6.533 8.436 585 HG2 GLU 81 HG2 GLU 81 10.130 6.987 7.730 586 HG3 GLU 81 HG3 GLU 81 9.617 7.332 9.380 587 H LYS 82 H LYS 82 8.693 5.030 9.725 588 HA LYS 82 HA LYS 82 8.337 6.097 12.374 589 HB2 LYS 82 HB2 LYS 82 6.414 5.091 10.289 590 HB3 LYS 82 HB3 LYS 82 5.880 5.625 11.878 591 HG2 LYS 82 HG2 LYS 82 7.428 7.315 9.932 592 HG3 LYS 82 HG3 LYS 82 5.676 7.349 10.132 593 HD2 LYS 82 HD2 LYS 82 7.637 7.893 12.345 594 HD3 LYS 82 HD3 LYS 82 6.907 9.152 11.346 595 HE2 LYS 82 HE2 LYS 82 4.694 8.488 12.094 596 HE3 LYS 82 HE3 LYS 82 5.387 7.166 13.030 597 HZ1 LYS 82 HZ1 LYS 82 5.965 10.032 13.498 598 HZ2 LYS 82 HZ2 LYS 82 6.470 8.730 14.454 599 HZ3 LYS 82 HZ3 LYS 82 4.824 9.131 14.363 600 H GLN 83 H GLN 83 8.082 2.925 10.923 601 HA GLN 83 HA GLN 83 7.893 0.821 11.732 602 HB2 GLN 83 HB2 GLN 83 8.416 2.060 14.445 603 HB3 GLN 83 HB3 GLN 83 8.395 0.338 14.100 604 HG2 GLN 83 HG2 GLN 83 10.283 2.254 12.776 605 HG3 GLN 83 HG3 GLN 83 10.657 1.385 14.262 606 HE21 GLN 83 HE21 GLN 83 10.112 1.130 10.862 607 HE22 GLN 83 HE22 GLN 83 10.745 -0.471 10.680 608 H ASP 84 H ASP 84 5.534 2.850 11.812 609 HA ASP 84 HA ASP 84 3.741 1.144 13.361 610 HB2 ASP 84 HB2 ASP 84 4.561 3.180 14.709 611 HB3 ASP 84 HB3 ASP 84 3.573 4.142 13.613 612 HA PRO 85 HA PRO 85 1.536 1.743 9.496 613 HB2 PRO 85 HB2 PRO 85 -0.327 -0.132 9.878 614 HB3 PRO 85 HB3 PRO 85 1.363 -0.545 9.592 615 HG2 PRO 85 HG2 PRO 85 -0.135 -0.422 12.180 616 HG3 PRO 85 HG3 PRO 85 0.970 -1.680 11.592 617 HD2 PRO 85 HD2 PRO 85 1.719 0.271 13.325 618 HD3 PRO 85 HD3 PRO 85 2.836 -0.489 12.176 619 H THR 86 H THR 86 0.486 2.909 12.439 620 HA THR 86 HA THR 86 -1.957 3.922 11.173 621 HB THR 86 HB THR 86 -2.660 2.119 12.667 622 HG1 THR 86 HG1 THR 86 -3.715 4.416 12.561 623 HG21 THR 86 HG21 THR 86 -0.841 2.170 14.302 624 HG22 THR 86 HG22 THR 86 -2.422 2.258 15.084 625 HG23 THR 86 HG23 THR 86 -1.434 3.709 14.916 626 H ASP 87 H ASP 87 0.961 4.747 12.383 627 HA ASP 87 HA ASP 87 0.091 7.115 13.822 628 HB2 ASP 87 HB2 ASP 87 2.207 5.705 14.375 629 HB3 ASP 87 HB3 ASP 87 2.956 6.607 13.055 630 H ILE 88 H ILE 88 -0.942 8.364 12.411 631 HA ILE 88 HA ILE 88 0.620 9.885 10.559 632 HB ILE 88 HB ILE 88 0.084 7.818 9.253 633 HG12 ILE 88 HG12 ILE 88 -0.791 9.010 7.234 634 HG13 ILE 88 HG13 ILE 88 -1.104 10.411 8.251 635 HG21 ILE 88 HG21 ILE 88 -2.774 8.749 9.495 636 HG22 ILE 88 HG22 ILE 88 -2.087 7.263 10.153 637 HG23 ILE 88 HG23 ILE 88 -2.203 7.483 8.406 638 HD11 ILE 88 HD11 ILE 88 1.282 10.571 8.751 639 HD12 ILE 88 HD12 ILE 88 0.961 10.670 7.019 640 HD13 ILE 88 HD13 ILE 88 1.587 9.174 7.717 641 H LYS 89 H LYS 89 -0.362 11.824 10.026 642 HA LYS 89 HA LYS 89 -3.171 12.236 10.731 643 HB2 LYS 89 HB2 LYS 89 -1.836 13.141 12.586 644 HB3 LYS 89 HB3 LYS 89 -0.882 14.089 11.458 645 HG2 LYS 89 HG2 LYS 89 -2.761 15.483 10.941 646 HG3 LYS 89 HG3 LYS 89 -3.843 14.450 11.882 647 HD2 LYS 89 HD2 LYS 89 -2.690 15.034 13.923 648 HD3 LYS 89 HD3 LYS 89 -1.488 15.954 13.020 649 HE2 LYS 89 HE2 LYS 89 -4.414 16.628 12.922 650 HE3 LYS 89 HE3 LYS 89 -3.353 17.265 14.177 651 HZ1 LYS 89 HZ1 LYS 89 -2.947 17.625 11.251 652 HZ2 LYS 89 HZ2 LYS 89 -1.987 18.283 12.484 653 HZ3 LYS 89 HZ3 LYS 89 -3.591 18.788 12.300 654 H TYR 90 H TYR 90 -4.225 13.015 9.030 655 HA TYR 90 HA TYR 90 -2.650 14.098 6.794 656 HB2 TYR 90 HB2 TYR 90 -5.576 13.303 6.723 657 HB3 TYR 90 HB3 TYR 90 -4.520 13.632 5.359 658 HD1 TYR 90 HD2 TYR 90 -2.439 12.063 5.127 659 HD2 TYR 90 HD1 TYR 90 -5.918 11.133 7.379 660 HE1 TYR 90 HE2 TYR 90 -1.862 9.675 5.006 661 HE2 TYR 90 HE1 TYR 90 -5.358 8.747 7.273 662 HH TYR 90 HH TYR 90 -4.083 7.217 6.020 663 H LYS 91 H LYS 91 -3.375 15.955 5.654 664 HA LYS 91 HA LYS 91 -5.311 17.646 7.056 665 HB2 LYS 91 HB2 LYS 91 -3.674 19.532 5.957 666 HB3 LYS 91 HB3 LYS 91 -3.590 19.017 7.629 667 HG2 LYS 91 HG2 LYS 91 -1.365 19.076 6.821 668 HG3 LYS 91 HG3 LYS 91 -1.803 17.377 6.929 669 HD2 LYS 91 HD2 LYS 91 -0.585 17.675 4.912 670 HD3 LYS 91 HD3 LYS 91 -2.272 17.431 4.463 671 HE2 LYS 91 HE2 LYS 91 -1.366 19.190 3.108 672 HE3 LYS 91 HE3 LYS 91 -2.506 19.903 4.246 673 HZ1 LYS 91 HZ1 LYS 91 -0.545 21.246 4.104 674 HZ2 LYS 91 HZ2 LYS 91 0.455 19.927 4.453 675 HZ3 LYS 91 HZ3 LYS 91 -0.596 20.527 5.637 676 H ASP 92 H ASP 92 -6.931 16.959 5.496 677 HA ASP 92 HA ASP 92 -6.894 18.124 2.974 678 HB2 ASP 92 HB2 ASP 92 -5.143 16.067 2.908 679 HB3 ASP 92 HB3 ASP 92 -6.628 15.183 2.571 680 H ASN 93 H ASN 93 -8.594 16.691 1.536 681 HA ASN 93 HA ASN 93 -10.644 15.633 3.366 682 HB2 ASN 93 HB2 ASN 93 -12.345 16.228 1.713 683 HB3 ASN 93 HB3 ASN 93 -11.430 17.648 2.186 684 HD21 ASN 93 HD21 ASN 93 -10.070 18.626 0.688 685 HD22 ASN 93 HD22 ASN 93 -10.186 18.299 -1.007 686 H ASP 94 H ASP 94 -8.238 14.570 1.609 687 HA ASP 94 HA ASP 94 -9.697 12.320 0.360 688 HB2 ASP 94 HB2 ASP 94 -8.655 13.826 -1.333 689 HB3 ASP 94 HB3 ASP 94 -7.094 13.582 -0.575 690 H GLY 95 H GLY 95 -6.612 13.367 1.719 691 HA2 GLY 95 HA2 GLY 95 -6.020 11.835 3.711 692 HA3 GLY 95 HA3 GLY 95 -6.000 10.600 2.457 693 H HIS 96 H HIS 96 -4.853 13.958 2.328 694 HA HIS 96 HA HIS 96 -2.245 12.920 1.450 695 HB2 HIS 96 HB2 HIS 96 -3.333 15.748 1.266 696 HB3 HIS 96 HB3 HIS 96 -1.786 15.214 0.637 697 HD1 HIS 96 HD1 HIS 96 -3.964 16.527 -1.149 698 HD2 HIS 96 HD2 HIS 96 -3.465 12.429 -0.733 699 HE1 HIS 96 HE1 HIS 96 -5.022 15.514 -3.189 700 HE2 HIS 96 HE2 HIS 96 -4.912 13.028 -2.785 701 H THR 97 H THR 97 -0.322 13.664 2.419 702 HA THR 97 HA THR 97 -0.752 14.739 5.118 703 HB THR 97 HB THR 97 -0.504 12.350 5.408 704 HG1 THR 97 HG1 THR 97 0.792 12.610 7.059 705 HG21 THR 97 HG21 THR 97 2.121 12.599 3.945 706 HG22 THR 97 HG22 THR 97 0.674 11.764 3.376 707 HG23 THR 97 HG23 THR 97 1.545 11.157 4.783 708 H ASP 98 H ASP 98 0.947 15.876 6.036 709 HA ASP 98 HA ASP 98 2.617 17.225 4.047 710 HB2 ASP 98 HB2 ASP 98 1.027 18.393 5.725 711 HB3 ASP 98 HB3 ASP 98 2.254 18.027 6.931 712 H ALA 99 H ALA 99 2.793 14.814 6.349 713 HA ALA 99 HA ALA 99 5.368 15.216 7.452 714 HB1 ALA 99 HB1 ALA 99 3.681 13.794 8.492 715 HB2 ALA 99 HB2 ALA 99 5.176 12.904 8.200 716 HB3 ALA 99 HB3 ALA 99 3.786 12.672 7.137 717 H ILE 100 H ILE 100 4.203 13.494 4.580 718 HA ILE 100 HA ILE 100 6.959 12.757 3.910 719 HB ILE 100 HB ILE 100 4.494 12.039 2.308 720 HG12 ILE 100 HG12 ILE 100 5.801 10.322 4.428 721 HG13 ILE 100 HG13 ILE 100 4.320 11.235 4.688 722 HG21 ILE 100 HG21 ILE 100 5.944 10.216 1.485 723 HG22 ILE 100 HG22 ILE 100 7.265 10.838 2.474 724 HG23 ILE 100 HG23 ILE 100 6.623 11.810 1.150 725 HD11 ILE 100 HD11 ILE 100 4.698 9.036 2.669 726 HD12 ILE 100 HD12 ILE 100 3.210 9.939 2.951 727 HD13 ILE 100 HD13 ILE 100 3.863 8.896 4.216 728 H SER 101 H SER 101 8.039 14.222 2.853 729 HA SER 101 HA SER 101 7.036 16.435 1.446 730 HB2 SER 101 HB2 SER 101 9.734 15.131 1.011 731 HB3 SER 101 HB3 SER 101 9.309 16.822 0.737 732 HG SER 101 HG SER 101 8.736 16.687 3.142 733 H GLY 102 H GLY 102 5.754 16.268 -0.256 734 HA2 GLY 102 HA2 GLY 102 5.581 16.194 -2.605 735 HA3 GLY 102 HA3 GLY 102 6.853 14.991 -2.649 736 H ALA 103 H ALA 103 4.521 14.210 -0.296 737 HA ALA 103 HA ALA 103 3.396 12.165 -2.005 738 HB1 ALA 103 HB1 ALA 103 4.007 11.589 0.282 739 HB2 ALA 103 HB2 ALA 103 2.284 11.337 -0.001 740 HB3 ALA 103 HB3 ALA 103 2.833 12.752 0.898 741 H THR 104 H THR 104 2.236 13.261 -3.480 742 HA THR 104 HA THR 104 0.003 14.923 -2.616 743 HB THR 104 HB THR 104 1.529 15.738 -4.403 744 HG1 THR 104 HG1 THR 104 -0.631 16.482 -4.379 745 HG21 THR 104 HG21 THR 104 1.394 14.781 -6.661 746 HG22 THR 104 HG22 THR 104 0.398 13.466 -6.038 747 HG23 THR 104 HG23 THR 104 2.071 13.636 -5.502 748 H ILE 105 H ILE 105 0.643 11.745 -3.290 749 HA ILE 105 HA ILE 105 -1.967 10.985 -4.278 750 HB ILE 105 HB ILE 105 0.215 9.910 -4.927 751 HG12 ILE 105 HG12 ILE 105 -2.145 8.764 -4.979 752 HG13 ILE 105 HG13 ILE 105 -0.698 7.869 -5.399 753 HG21 ILE 105 HG21 ILE 105 1.247 8.241 -3.455 754 HG22 ILE 105 HG22 ILE 105 0.189 8.770 -2.146 755 HG23 ILE 105 HG23 ILE 105 1.366 9.889 -2.834 756 HD11 ILE 105 HD11 ILE 105 -2.222 6.549 -4.071 757 HD12 ILE 105 HD12 ILE 105 -2.163 7.740 -2.772 758 HD13 ILE 105 HD13 ILE 105 -0.715 6.824 -3.193 759 H LYS 106 H LYS 106 -3.626 10.010 -2.973 760 HA LYS 106 HA LYS 106 -3.723 10.429 -0.256 761 HB2 LYS 106 HB2 LYS 106 -5.597 8.919 -0.087 762 HB3 LYS 106 HB3 LYS 106 -5.742 9.921 -1.512 763 HG2 LYS 106 HG2 LYS 106 -4.769 7.077 -1.620 764 HG3 LYS 106 HG3 LYS 106 -6.475 7.501 -1.699 765 HD2 LYS 106 HD2 LYS 106 -4.341 8.425 -3.626 766 HD3 LYS 106 HD3 LYS 106 -5.490 7.121 -3.921 767 HE2 LYS 106 HE2 LYS 106 -6.214 10.009 -3.421 768 HE3 LYS 106 HE3 LYS 106 -6.152 9.232 -5.003 769 HZ1 LYS 106 HZ1 LYS 106 -8.403 9.332 -4.170 770 HZ2 LYS 106 HZ2 LYS 106 -7.967 8.494 -2.770 771 HZ3 LYS 106 HZ3 LYS 106 -7.900 7.721 -4.275 772 H VAL 107 H VAL 107 -2.330 9.908 1.090 773 HA VAL 107 HA VAL 107 -1.020 7.360 1.306 774 HB VAL 107 HB VAL 107 -1.051 9.860 3.031 775 HG11 VAL 107 HG11 VAL 107 0.742 7.457 3.319 776 HG12 VAL 107 HG12 VAL 107 -0.516 7.947 4.452 777 HG13 VAL 107 HG13 VAL 107 0.895 8.977 4.203 778 HG21 VAL 107 HG21 VAL 107 1.183 10.203 2.124 779 HG22 VAL 107 HG22 VAL 107 -0.014 10.080 0.830 780 HG23 VAL 107 HG23 VAL 107 1.036 8.709 1.198 781 H LYS 108 H LYS 108 -3.976 8.737 2.232 782 HA LYS 108 HA LYS 108 -4.829 7.290 4.426 783 HB2 LYS 108 HB2 LYS 108 -6.003 9.122 3.034 784 HB3 LYS 108 HB3 LYS 108 -6.561 7.809 2.014 785 HG2 LYS 108 HG2 LYS 108 -7.068 7.639 4.939 786 HG3 LYS 108 HG3 LYS 108 -8.028 8.760 3.977 787 HD2 LYS 108 HD2 LYS 108 -8.654 6.873 2.491 788 HD3 LYS 108 HD3 LYS 108 -7.769 5.784 3.560 789 HE2 LYS 108 HE2 LYS 108 -10.098 7.511 4.393 790 HE3 LYS 108 HE3 LYS 108 -10.203 5.798 3.993 791 HZ1 LYS 108 HZ1 LYS 108 -8.569 6.937 6.202 792 HZ2 LYS 108 HZ2 LYS 108 -8.752 5.288 5.837 793 HZ3 LYS 108 HZ3 LYS 108 -10.077 6.188 6.385 794 H LYS 109 H LYS 109 -4.660 6.266 1.001 795 HA LYS 109 HA LYS 109 -5.836 3.712 1.308 796 HB2 LYS 109 HB2 LYS 109 -5.405 4.952 -0.848 797 HB3 LYS 109 HB3 LYS 109 -3.708 4.541 -0.678 798 HG2 LYS 109 HG2 LYS 109 -4.584 2.984 -2.206 799 HG3 LYS 109 HG3 LYS 109 -4.439 2.108 -0.686 800 HD2 LYS 109 HD2 LYS 109 -6.743 2.101 -0.327 801 HD3 LYS 109 HD3 LYS 109 -7.015 3.447 -1.438 802 HE2 LYS 109 HE2 LYS 109 -6.165 0.655 -2.216 803 HE3 LYS 109 HE3 LYS 109 -7.793 1.310 -2.369 804 HZ1 LYS 109 HZ1 LYS 109 -6.921 2.975 -3.919 805 HZ2 LYS 109 HZ2 LYS 109 -6.621 1.406 -4.482 806 HZ3 LYS 109 HZ3 LYS 109 -5.367 2.304 -3.787 807 H PHE 110 H PHE 110 -2.580 4.896 1.886 808 HA PHE 110 HA PHE 110 -1.278 2.383 1.963 809 HB2 PHE 110 HB2 PHE 110 -0.146 4.578 1.605 810 HB3 PHE 110 HB3 PHE 110 -0.429 4.950 3.301 811 HD1 PHE 110 HD1 PHE 110 1.178 2.420 1.101 812 HD2 PHE 110 HD2 PHE 110 1.138 4.381 4.867 813 HE1 PHE 110 HE1 PHE 110 3.294 1.313 1.697 814 HE2 PHE 110 HE2 PHE 110 3.237 3.274 5.474 815 HZ PHE 110 HZ PHE 110 4.314 1.742 3.899 816 H PHE 111 H PHE 111 -2.206 4.599 4.603 817 HA PHE 111 HA PHE 111 -1.361 2.732 6.585 818 HB2 PHE 111 HB2 PHE 111 -2.687 5.420 6.686 819 HB3 PHE 111 HB3 PHE 111 -2.513 4.452 8.147 820 HD1 PHE 111 HD2 PHE 111 -0.682 6.243 5.501 821 HD2 PHE 111 HD1 PHE 111 -0.370 4.150 9.184 822 HE1 PHE 111 HE2 PHE 111 1.636 7.029 5.745 823 HE2 PHE 111 HE1 PHE 111 1.940 4.942 9.443 824 HZ PHE 111 HZ PHE 111 2.948 6.381 7.727 825 H ASP 112 H ASP 112 -4.440 3.410 5.084 826 HA ASP 112 HA ASP 112 -6.147 2.089 6.905 827 HB2 ASP 112 HB2 ASP 112 -6.411 3.324 4.408 828 HB3 ASP 112 HB3 ASP 112 -6.867 1.650 4.128 829 H LEU 113 H LEU 113 -4.431 0.969 4.032 830 HA LEU 113 HA LEU 113 -5.275 -1.748 4.226 831 HB2 LEU 113 HB2 LEU 113 -3.430 -0.175 2.514 832 HB3 LEU 113 HB3 LEU 113 -3.157 -1.897 2.607 833 HG LEU 113 HG LEU 113 -4.462 -1.348 0.634 834 HD11 LEU 113 HD11 LEU 113 -4.782 -3.468 1.702 835 HD12 LEU 113 HD12 LEU 113 -6.304 -2.885 1.025 836 HD13 LEU 113 HD13 LEU 113 -6.011 -2.779 2.762 837 HD21 LEU 113 HD21 LEU 113 -5.607 0.670 1.416 838 HD22 LEU 113 HD22 LEU 113 -6.558 -0.301 2.541 839 HD23 LEU 113 HD23 LEU 113 -6.751 -0.524 0.802 840 H ALA 114 H ALA 114 -2.511 0.077 5.348 841 HA ALA 114 HA ALA 114 -0.814 -2.052 6.057 842 HB1 ALA 114 HB1 ALA 114 0.369 -0.431 7.404 843 HB2 ALA 114 HB2 ALA 114 -0.995 0.682 7.298 844 HB3 ALA 114 HB3 ALA 114 -0.076 0.270 5.849 845 H GLN 115 H GLN 115 -3.425 -0.458 7.848 846 HA GLN 115 HA GLN 115 -2.881 -1.787 10.321 847 HB2 GLN 115 HB2 GLN 115 -5.288 -0.319 9.265 848 HB3 GLN 115 HB3 GLN 115 -5.251 -1.029 10.873 849 HG2 GLN 115 HG2 GLN 115 -3.425 0.374 11.518 850 HG3 GLN 115 HG3 GLN 115 -3.254 0.979 9.873 851 HE21 GLN 115 HE21 GLN 115 -4.663 2.496 9.103 852 HE22 GLN 115 HE22 GLN 115 -5.764 3.363 10.120 853 H LYS 116 H LYS 116 -4.871 -2.540 7.514 854 HA LYS 116 HA LYS 116 -6.111 -4.839 8.663 855 HB2 LYS 116 HB2 LYS 116 -5.686 -4.299 5.727 856 HB3 LYS 116 HB3 LYS 116 -6.890 -5.349 6.458 857 HG2 LYS 116 HG2 LYS 116 -7.768 -3.213 7.579 858 HG3 LYS 116 HG3 LYS 116 -6.804 -2.359 6.374 859 HD2 LYS 116 HD2 LYS 116 -9.041 -4.312 5.877 860 HD3 LYS 116 HD3 LYS 116 -9.064 -2.578 5.573 861 HE2 LYS 116 HE2 LYS 116 -7.302 -2.889 3.876 862 HE3 LYS 116 HE3 LYS 116 -7.355 -4.626 4.166 863 HZ1 LYS 116 HZ1 LYS 116 -9.529 -2.933 3.065 864 HZ2 LYS 116 HZ2 LYS 116 -9.722 -4.559 3.496 865 HZ3 LYS 116 HZ3 LYS 116 -8.655 -4.140 2.255 866 H ALA 117 H ALA 117 -3.035 -4.223 7.157 867 HA ALA 117 HA ALA 117 -2.385 -6.868 6.409 868 HB1 ALA 117 HB1 ALA 117 -0.102 -6.091 6.278 869 HB2 ALA 117 HB2 ALA 117 -0.511 -4.650 7.213 870 HB3 ALA 117 HB3 ALA 117 -1.193 -4.879 5.599 871 H LEU 118 H LEU 118 -1.845 -5.050 9.424 872 HA LEU 118 HA LEU 118 -0.600 -7.393 10.628 873 HB2 LEU 118 HB2 LEU 118 -0.951 -4.584 11.663 874 HB3 LEU 118 HB3 LEU 118 -0.206 -5.877 12.582 875 HG LEU 118 HG LEU 118 1.263 -5.973 10.316 876 HD11 LEU 118 HD11 LEU 118 1.851 -3.728 9.666 877 HD12 LEU 118 HD12 LEU 118 0.624 -3.077 10.755 878 HD13 LEU 118 HD13 LEU 118 0.141 -4.045 9.361 879 HD21 LEU 118 HD21 LEU 118 2.138 -5.949 12.553 880 HD22 LEU 118 HD22 LEU 118 1.743 -4.237 12.718 881 HD23 LEU 118 HD23 LEU 118 2.968 -4.755 11.558 882 H LYS 119 H LYS 119 -3.530 -7.269 10.001 883 HA LYS 119 HA LYS 119 -4.986 -7.204 12.424 884 HB2 LYS 119 HB2 LYS 119 -6.749 -8.414 11.234 885 HB3 LYS 119 HB3 LYS 119 -6.096 -7.115 10.245 886 HG2 LYS 119 HG2 LYS 119 -4.919 -8.637 8.857 887 HG3 LYS 119 HG3 LYS 119 -5.214 -9.979 9.958 888 HD2 LYS 119 HD2 LYS 119 -6.622 -10.083 7.945 889 HD3 LYS 119 HD3 LYS 119 -7.578 -9.944 9.418 890 HE2 LYS 119 HE2 LYS 119 -7.943 -7.585 8.996 891 HE3 LYS 119 HE3 LYS 119 -6.888 -7.646 7.585 892 HZ1 LYS 119 HZ1 LYS 119 -8.429 -9.001 6.446 893 HZ2 LYS 119 HZ2 LYS 119 -9.330 -7.732 7.116 894 HZ3 LYS 119 HZ3 LYS 119 -9.356 -9.264 7.836 895 H ASP 120 H ASP 120 -3.094 -9.740 10.899 896 HA ASP 120 HA ASP 120 -3.841 -11.622 13.005 897 HB2 ASP 120 HB2 ASP 120 -2.151 -11.998 10.519 898 HB3 ASP 120 HB3 ASP 120 -2.513 -13.258 11.691 899 H ALA 121 H ALA 121 -1.235 -9.635 11.897 900 HA ALA 121 HA ALA 121 1.028 -9.581 12.141 901 HB1 ALA 121 HB1 ALA 121 0.180 -8.454 14.147 902 HB2 ALA 121 HB2 ALA 121 1.759 -9.202 14.399 903 HB3 ALA 121 HB3 ALA 121 0.304 -9.974 15.038 904 H GLU 122 H GLU 122 0.021 -12.312 11.658 905 HA GLU 122 HA GLU 122 2.433 -13.768 12.460 906 HB2 GLU 122 HB2 GLU 122 -0.395 -14.832 12.638 907 HB3 GLU 122 HB3 GLU 122 1.045 -15.826 12.775 908 HG2 GLU 122 HG2 GLU 122 1.711 -14.516 14.764 909 HG3 GLU 122 HG3 GLU 122 0.199 -13.621 14.640 910 H LYS 123 H LYS 123 1.149 -12.421 10.025 911 HA LYS 123 HA LYS 123 0.601 -14.561 8.157 912 HB2 LYS 123 HB2 LYS 123 1.023 -11.635 7.531 913 HB3 LYS 123 HB3 LYS 123 0.141 -12.821 6.580 914 HG2 LYS 123 HG2 LYS 123 -1.532 -12.969 8.392 915 HG3 LYS 123 HG3 LYS 123 -0.671 -11.698 9.253 916 HD2 LYS 123 HD2 LYS 123 -2.454 -10.623 8.166 917 HD3 LYS 123 HD3 LYS 123 -1.032 -10.264 7.183 918 HE2 LYS 123 HE2 LYS 123 -2.963 -10.843 5.796 919 HE3 LYS 123 HE3 LYS 123 -1.662 -12.017 5.609 920 HZ1 LYS 123 HZ1 LYS 123 -3.985 -12.417 7.412 921 HZ2 LYS 123 HZ2 LYS 123 -2.820 -13.561 6.970 922 HZ3 LYS 123 HZ3 LYS 123 -3.923 -12.991 5.818 923 H LEU 124 H LEU 124 1.875 -15.005 6.268 924 HA LEU 124 HA LEU 124 4.529 -13.849 6.077 925 HB2 LEU 124 HB2 LEU 124 4.820 -15.626 7.749 926 HB3 LEU 124 HB3 LEU 124 4.139 -16.795 6.639 927 HG LEU 124 HG LEU 124 6.082 -16.385 5.114 928 HD11 LEU 124 HD11 LEU 124 6.721 -14.169 5.905 929 HD12 LEU 124 HD12 LEU 124 8.071 -15.298 6.029 930 HD13 LEU 124 HD13 LEU 124 7.162 -14.847 7.472 931 HD21 LEU 124 HD21 LEU 124 7.656 -17.694 6.457 932 HD22 LEU 124 HD22 LEU 124 6.007 -18.302 6.606 933 HD23 LEU 124 HD23 LEU 124 6.711 -17.338 7.904 934 H GLU 125 H GLU 125 4.261 -13.220 4.000 935 HA GLU 125 HA GLU 125 3.332 -15.148 2.019 936 HB2 GLU 125 HB2 GLU 125 4.216 -12.280 1.625 937 HB3 GLU 125 HB3 GLU 125 3.492 -13.307 0.398 938 HG2 GLU 125 HG2 GLU 125 2.180 -12.288 2.901 939 HG3 GLU 125 HG3 GLU 125 1.858 -11.765 1.249 940 H HIS 126 H HIS 126 6.036 -12.849 1.999 941 HA HIS 126 HA HIS 126 8.064 -14.828 1.774 942 HB2 HIS 126 HB2 HIS 126 6.964 -14.775 -0.570 943 HB3 HIS 126 HB3 HIS 126 7.666 -13.169 -0.723 944 HD1 HIS 126 HD1 HIS 126 8.477 -16.761 -0.899 945 HD2 HIS 126 HD2 HIS 126 10.521 -13.138 -0.891 946 HE1 HIS 126 HE1 HIS 126 10.799 -17.296 -1.700 947 HE2 HIS 126 HE2 HIS 126 12.060 -15.121 -1.543 948 H HIS 127 H HIS 127 9.549 -13.833 3.001 949 HA HIS 127 HA HIS 127 9.554 -10.982 3.202 950 HB2 HIS 127 HB2 HIS 127 11.611 -11.314 4.690 951 HB3 HIS 127 HB3 HIS 127 10.064 -11.898 5.260 952 HD1 HIS 127 HD1 HIS 127 12.850 -13.568 3.232 953 HD2 HIS 127 HD2 HIS 127 10.526 -14.137 6.633 954 HE1 HIS 127 HE1 HIS 127 13.571 -15.778 4.184 955 HE2 HIS 127 HE2 HIS 127 12.208 -16.078 6.274 956 H HIS 128 H HIS 128 10.773 -9.514 2.405 957 HA HIS 128 HA HIS 128 12.417 -10.188 0.107 958 HB2 HIS 128 HB2 HIS 128 11.518 -7.528 1.261 959 HB3 HIS 128 HB3 HIS 128 12.483 -7.693 -0.199 960 HD1 HIS 128 HD1 HIS 128 11.264 -8.433 -2.345 961 HD2 HIS 128 HD2 HIS 128 8.784 -8.175 0.982 962 HE1 HIS 128 HE1 HIS 128 8.922 -8.509 -3.243 963 HE2 HIS 128 HE2 HIS 128 7.456 -8.099 -1.241 964 H HIS 129 H HIS 129 14.457 -8.836 -0.189 965 HA HIS 129 HA HIS 129 16.133 -9.146 2.189 966 HB2 HIS 129 HB2 HIS 129 16.737 -8.865 -0.743 967 HB3 HIS 129 HB3 HIS 129 17.994 -8.671 0.469 968 HD1 HIS 129 HD1 HIS 129 18.918 -10.772 1.546 969 HD2 HIS 129 HD2 HIS 129 15.741 -11.511 -1.028 970 HE1 HIS 129 HE1 HIS 129 18.855 -13.266 1.254 971 HE2 HIS 129 HE2 HIS 129 17.072 -13.670 -0.484 972 H HIS 130 H HIS 130 14.238 -6.853 1.602 973 HA HIS 130 HA HIS 130 15.862 -4.521 1.246 974 HB2 HIS 130 HB2 HIS 130 13.404 -4.736 0.654 975 HB3 HIS 130 HB3 HIS 130 13.056 -4.720 2.375 976 HD1 HIS 130 HD1 HIS 130 13.481 -2.528 -0.496 977 HD2 HIS 130 HD2 HIS 130 13.711 -2.153 3.639 978 HE1 HIS 130 HE1 HIS 130 13.233 -0.074 -0.023 979 HE2 HIS 130 HE2 HIS 130 13.529 0.146 2.467 980 H HIS 131 H HIS 131 16.838 -3.337 2.712 981 HA HIS 131 HA HIS 131 17.607 -4.432 5.186 982 HB2 HIS 131 HB2 HIS 131 18.880 -2.833 3.664 983 HB3 HIS 131 HB3 HIS 131 17.892 -1.543 4.331 984 HD1 HIS 131 HD1 HIS 131 20.701 -3.864 5.182 985 HD2 HIS 131 HD2 HIS 131 18.614 -0.697 6.888 986 HE1 HIS 131 HE1 HIS 131 22.067 -3.143 7.166 987 HE2 HIS 131 HE2 HIS 131 20.888 -1.108 8.069 Start of MODEL 14 1 H1 MET 1 H1 MET 1 3.889 -8.218 17.464 2 H2 MET 1 H2 MET 1 2.932 -7.257 16.448 3 H3 MET 1 H3 MET 1 4.620 -7.108 16.418 4 HA MET 1 HA MET 1 3.114 -9.525 15.682 5 HB2 MET 1 HB2 MET 1 3.860 -9.037 13.349 6 HB3 MET 1 HB3 MET 1 2.662 -7.923 13.981 7 HG2 MET 1 HG2 MET 1 5.579 -7.260 14.063 8 HG3 MET 1 HG3 MET 1 4.618 -7.004 12.607 9 HE1 MET 1 HE1 MET 1 4.884 -4.488 12.418 10 HE2 MET 1 HE2 MET 1 6.084 -4.621 13.705 11 HE3 MET 1 HE3 MET 1 4.837 -3.377 13.790 12 H LYS 2 H LYS 2 4.583 -10.800 14.125 13 HA LYS 2 HA LYS 2 7.175 -11.120 15.473 14 HB2 LYS 2 HB2 LYS 2 4.958 -12.875 15.328 15 HB3 LYS 2 HB3 LYS 2 6.188 -13.546 14.268 16 HG2 LYS 2 HG2 LYS 2 6.864 -12.711 17.063 17 HG3 LYS 2 HG3 LYS 2 6.133 -14.281 16.733 18 HD2 LYS 2 HD2 LYS 2 8.696 -13.253 15.513 19 HD3 LYS 2 HD3 LYS 2 8.593 -14.401 16.851 20 HE2 LYS 2 HE2 LYS 2 7.382 -15.963 15.404 21 HE3 LYS 2 HE3 LYS 2 7.488 -14.813 14.074 22 HZ1 LYS 2 HZ1 LYS 2 9.175 -16.526 13.904 23 HZ2 LYS 2 HZ2 LYS 2 9.787 -16.118 15.425 24 HZ3 LYS 2 HZ3 LYS 2 9.896 -15.013 14.144 25 H ASP 3 H ASP 3 8.799 -12.261 13.997 26 HA ASP 3 HA ASP 3 8.938 -10.791 11.587 27 HB2 ASP 3 HB2 ASP 3 10.984 -12.199 11.125 28 HB3 ASP 3 HB3 ASP 3 11.008 -11.233 12.591 29 H GLY 4 H GLY 4 8.282 -11.133 9.694 30 HA2 GLY 4 HA2 GLY 4 8.258 -13.514 8.264 31 HA3 GLY 4 HA3 GLY 4 6.654 -13.313 8.960 32 H THR 5 H THR 5 5.527 -12.888 7.126 33 HA THR 5 HA THR 5 6.030 -10.297 5.887 34 HB THR 5 HB THR 5 5.539 -12.826 4.271 35 HG1 THR 5 HG1 THR 5 7.838 -11.551 5.090 36 HG21 THR 5 HG21 THR 5 4.524 -10.849 3.254 37 HG22 THR 5 HG22 THR 5 5.914 -11.401 2.318 38 HG23 THR 5 HG23 THR 5 6.062 -9.994 3.370 39 H TYR 6 H TYR 6 4.205 -9.166 5.966 40 HA TYR 6 HA TYR 6 1.660 -10.621 6.369 41 HB2 TYR 6 HB2 TYR 6 2.604 -7.967 7.506 42 HB3 TYR 6 HB3 TYR 6 0.970 -8.581 7.688 43 HD1 TYR 6 HD2 TYR 6 4.513 -9.526 8.456 44 HD2 TYR 6 HD1 TYR 6 0.419 -9.767 9.555 45 HE1 TYR 6 HE2 TYR 6 5.145 -10.677 10.526 46 HE2 TYR 6 HE1 TYR 6 1.042 -10.907 11.629 47 HH TYR 6 HH TYR 6 2.915 -12.283 12.484 48 H TYR 7 H TYR 7 0.526 -10.447 4.450 49 HA TYR 7 HA TYR 7 0.585 -7.774 3.213 50 HB2 TYR 7 HB2 TYR 7 1.016 -8.640 1.173 51 HB3 TYR 7 HB3 TYR 7 1.465 -10.103 2.026 52 HD1 TYR 7 HD2 TYR 7 -0.047 -12.037 2.053 53 HD2 TYR 7 HD1 TYR 7 -1.002 -8.511 -0.132 54 HE1 TYR 7 HE2 TYR 7 -1.796 -13.266 0.838 55 HE2 TYR 7 HE1 TYR 7 -2.753 -9.716 -1.344 56 HH TYR 7 HH TYR 7 -3.383 -11.973 -1.923 57 H ALA 8 H ALA 8 -1.322 -6.848 2.527 58 HA ALA 8 HA ALA 8 -3.795 -8.394 2.862 59 HB1 ALA 8 HB1 ALA 8 -4.912 -6.495 3.904 60 HB2 ALA 8 HB2 ALA 8 -3.403 -5.582 3.885 61 HB3 ALA 8 HB3 ALA 8 -3.546 -7.029 4.883 62 H GLU 9 H GLU 9 -5.447 -7.776 1.464 63 HA GLU 9 HA GLU 9 -4.636 -5.905 -0.655 64 HB2 GLU 9 HB2 GLU 9 -6.093 -7.187 -2.187 65 HB3 GLU 9 HB3 GLU 9 -4.781 -8.153 -1.539 66 HG2 GLU 9 HG2 GLU 9 -6.406 -9.103 0.101 67 HG3 GLU 9 HG3 GLU 9 -7.679 -8.244 -0.770 68 H ALA 10 H ALA 10 -6.137 -4.451 -1.417 69 HA ALA 10 HA ALA 10 -7.522 -3.141 0.581 70 HB1 ALA 10 HB1 ALA 10 -7.925 -2.751 -2.375 71 HB2 ALA 10 HB2 ALA 10 -6.614 -2.061 -1.421 72 HB3 ALA 10 HB3 ALA 10 -8.282 -1.588 -1.095 73 H ASP 11 H ASP 11 -9.634 -2.621 0.952 74 HA ASP 11 HA ASP 11 -11.397 -4.839 0.963 75 HB2 ASP 11 HB2 ASP 11 -11.155 -2.800 2.598 76 HB3 ASP 11 HB3 ASP 11 -12.292 -2.022 1.502 77 H ASP 12 H ASP 12 -11.152 -1.920 -0.952 78 HA ASP 12 HA ASP 12 -12.983 -3.075 -2.909 79 HB2 ASP 12 HB2 ASP 12 -14.034 -0.891 -3.314 80 HB3 ASP 12 HB3 ASP 12 -14.298 -1.406 -1.653 81 H PHE 13 H PHE 13 -12.730 -1.901 -5.064 82 HA PHE 13 HA PHE 13 -9.891 -1.652 -5.639 83 HB2 PHE 13 HB2 PHE 13 -12.341 -1.718 -7.407 84 HB3 PHE 13 HB3 PHE 13 -10.727 -1.431 -8.036 85 HD1 PHE 13 HD2 PHE 13 -12.944 -3.924 -6.471 86 HD2 PHE 13 HD1 PHE 13 -9.164 -3.206 -8.288 87 HE1 PHE 13 HE2 PHE 13 -12.588 -6.347 -6.688 88 HE2 PHE 13 HE1 PHE 13 -8.804 -5.630 -8.507 89 HZ PHE 13 HZ PHE 13 -10.520 -7.201 -7.709 90 H ASP 14 H ASP 14 -8.949 0.126 -6.689 91 HA ASP 14 HA ASP 14 -9.943 2.705 -5.928 92 HB2 ASP 14 HB2 ASP 14 -7.499 1.925 -6.015 93 HB3 ASP 14 HB3 ASP 14 -7.599 2.105 -7.757 94 H GLU 15 H GLU 15 -9.356 4.382 -7.991 95 HA GLU 15 HA GLU 15 -11.699 4.533 -9.474 96 HB2 GLU 15 HB2 GLU 15 -9.007 5.809 -9.985 97 HB3 GLU 15 HB3 GLU 15 -10.516 6.311 -10.732 98 HG2 GLU 15 HG2 GLU 15 -9.942 6.360 -7.782 99 HG3 GLU 15 HG3 GLU 15 -9.836 7.749 -8.860 100 H SER 16 H SER 16 -8.462 3.481 -10.525 101 HA SER 16 HA SER 16 -9.507 2.777 -13.152 102 HB2 SER 16 HB2 SER 16 -7.360 4.002 -12.887 103 HB3 SER 16 HB3 SER 16 -6.683 2.580 -12.102 104 HG SER 16 HG SER 16 -6.740 3.108 -14.631 105 H GLY 17 H GLY 17 -9.769 1.300 -10.362 106 HA2 GLY 17 HA2 GLY 17 -10.386 -0.867 -9.892 107 HA3 GLY 17 HA3 GLY 17 -9.988 -1.305 -11.553 108 H TRP 18 H TRP 18 -8.242 -0.075 -8.721 109 HA TRP 18 HA TRP 18 -6.402 -2.338 -9.022 110 HB2 TRP 18 HB2 TRP 18 -5.730 0.528 -8.327 111 HB3 TRP 18 HB3 TRP 18 -4.615 -0.811 -8.073 112 HD1 TRP 18 HD1 TRP 18 -5.760 1.614 -10.682 113 HE1 TRP 18 HE1 TRP 18 -4.586 1.115 -12.927 114 HE3 TRP 18 HE3 TRP 18 -3.735 -2.952 -9.580 115 HZ2 TRP 18 HZ2 TRP 18 -3.031 -0.914 -14.064 116 HZ3 TRP 18 HZ3 TRP 18 -2.420 -4.098 -11.304 117 HH2 TRP 18 HH2 TRP 18 -2.077 -3.101 -13.499 118 H LYS 19 H LYS 19 -6.649 -3.674 -7.388 119 HA LYS 19 HA LYS 19 -7.598 -2.723 -4.810 120 HB2 LYS 19 HB2 LYS 19 -8.462 -4.859 -5.752 121 HB3 LYS 19 HB3 LYS 19 -6.832 -5.516 -5.706 122 HG2 LYS 19 HG2 LYS 19 -6.798 -5.300 -3.288 123 HG3 LYS 19 HG3 LYS 19 -8.429 -4.629 -3.320 124 HD2 LYS 19 HD2 LYS 19 -7.796 -7.322 -4.475 125 HD3 LYS 19 HD3 LYS 19 -8.164 -7.107 -2.764 126 HE2 LYS 19 HE2 LYS 19 -10.330 -6.169 -3.327 127 HE3 LYS 19 HE3 LYS 19 -9.953 -6.292 -5.048 128 HZ1 LYS 19 HZ1 LYS 19 -10.215 -8.556 -3.150 129 HZ2 LYS 19 HZ2 LYS 19 -9.772 -8.695 -4.777 130 HZ3 LYS 19 HZ3 LYS 19 -11.317 -8.135 -4.368 131 H ASP 20 H ASP 20 -6.067 -1.618 -3.839 132 HA ASP 20 HA ASP 20 -3.299 -1.973 -4.296 133 HB2 ASP 20 HB2 ASP 20 -4.625 -0.449 -2.053 134 HB3 ASP 20 HB3 ASP 20 -3.017 -0.182 -2.714 135 H THR 21 H THR 21 -1.861 -3.197 -3.297 136 HA THR 21 HA THR 21 -2.720 -4.522 -0.817 137 HB THR 21 HB THR 21 -1.354 -6.456 -1.406 138 HG1 THR 21 HG1 THR 21 -0.138 -4.821 -3.037 139 HG21 THR 21 HG21 THR 21 -2.594 -7.272 -3.368 140 HG22 THR 21 HG22 THR 21 -3.191 -5.636 -3.652 141 HG23 THR 21 HG23 THR 21 -3.643 -6.498 -2.181 142 H VAL 22 H VAL 22 -1.411 -4.487 0.863 143 HA VAL 22 HA VAL 22 1.149 -3.076 0.546 144 HB VAL 22 HB VAL 22 -0.845 -2.740 2.809 145 HG11 VAL 22 HG11 VAL 22 1.435 -2.819 3.709 146 HG12 VAL 22 HG12 VAL 22 0.754 -1.195 3.821 147 HG13 VAL 22 HG13 VAL 22 1.930 -1.576 2.562 148 HG21 VAL 22 HG21 VAL 22 -1.341 -1.423 0.811 149 HG22 VAL 22 HG22 VAL 22 0.296 -0.767 0.829 150 HG23 VAL 22 HG23 VAL 22 -0.821 -0.383 2.138 151 H THR 23 H THR 23 2.672 -4.443 0.790 152 HA THR 23 HA THR 23 2.321 -6.725 2.587 153 HB THR 23 HB THR 23 4.556 -6.282 0.604 154 HG1 THR 23 HG1 THR 23 2.370 -6.372 -0.356 155 HG21 THR 23 HG21 THR 23 3.459 -8.762 1.914 156 HG22 THR 23 HG22 THR 23 4.938 -7.925 2.383 157 HG23 THR 23 HG23 THR 23 4.823 -8.690 0.795 158 H ILE 24 H ILE 24 3.010 -6.391 4.552 159 HA ILE 24 HA ILE 24 5.158 -4.520 5.140 160 HB ILE 24 HB ILE 24 3.449 -6.165 7.031 161 HG12 ILE 24 HG12 ILE 24 2.118 -4.579 5.628 162 HG13 ILE 24 HG13 ILE 24 2.044 -4.233 7.353 163 HG21 ILE 24 HG21 ILE 24 4.162 -4.565 8.738 164 HG22 ILE 24 HG22 ILE 24 5.196 -3.764 7.556 165 HG23 ILE 24 HG23 ILE 24 5.531 -5.429 8.037 166 HD11 ILE 24 HD11 ILE 24 3.658 -2.415 7.044 167 HD12 ILE 24 HD12 ILE 24 2.219 -2.193 6.049 168 HD13 ILE 24 HD13 ILE 24 3.717 -2.770 5.318 169 H GLU 25 H GLU 25 7.172 -5.285 5.113 170 HA GLU 25 HA GLU 25 7.661 -8.111 5.617 171 HB2 GLU 25 HB2 GLU 25 8.757 -7.215 3.665 172 HB3 GLU 25 HB3 GLU 25 9.442 -5.891 4.595 173 HG2 GLU 25 HG2 GLU 25 10.951 -7.322 5.704 174 HG3 GLU 25 HG3 GLU 25 10.123 -8.770 5.136 175 H VAL 26 H VAL 26 8.000 -8.732 7.569 176 HA VAL 26 HA VAL 26 9.025 -6.820 9.554 177 HB VAL 26 HB VAL 26 7.172 -9.198 9.963 178 HG11 VAL 26 HG11 VAL 26 6.935 -8.408 12.263 179 HG12 VAL 26 HG12 VAL 26 8.164 -7.177 11.964 180 HG13 VAL 26 HG13 VAL 26 8.594 -8.887 11.906 181 HG21 VAL 26 HG21 VAL 26 6.061 -7.309 8.901 182 HG22 VAL 26 HG22 VAL 26 6.634 -6.242 10.184 183 HG23 VAL 26 HG23 VAL 26 5.492 -7.535 10.555 184 H LYS 27 H LYS 27 10.813 -7.339 10.657 185 HA LYS 27 HA LYS 27 11.658 -10.109 10.887 186 HB2 LYS 27 HB2 LYS 27 12.801 -9.381 8.877 187 HB3 LYS 27 HB3 LYS 27 13.372 -7.928 9.677 188 HG2 LYS 27 HG2 LYS 27 14.720 -9.338 11.184 189 HG3 LYS 27 HG3 LYS 27 14.189 -10.759 10.287 190 HD2 LYS 27 HD2 LYS 27 16.352 -10.130 9.483 191 HD3 LYS 27 HD3 LYS 27 15.167 -9.739 8.237 192 HE2 LYS 27 HE2 LYS 27 15.184 -7.402 8.944 193 HE3 LYS 27 HE3 LYS 27 16.344 -7.789 10.214 194 HZ1 LYS 27 HZ1 LYS 27 17.951 -8.390 8.551 195 HZ2 LYS 27 HZ2 LYS 27 17.393 -6.821 8.248 196 HZ3 LYS 27 HZ3 LYS 27 16.831 -8.119 7.310 197 H ASN 28 H ASN 28 12.376 -10.504 12.855 198 HA ASN 28 HA ASN 28 12.848 -10.326 15.051 199 HB2 ASN 28 HB2 ASN 28 14.089 -7.671 14.294 200 HB3 ASN 28 HB3 ASN 28 14.181 -8.382 15.902 201 HD21 ASN 28 HD21 ASN 28 15.428 -8.345 12.744 202 HD22 ASN 28 HD22 ASN 28 16.632 -9.572 12.950 203 H GLY 29 H GLY 29 10.312 -9.573 14.082 204 HA2 GLY 29 HA2 GLY 29 8.348 -8.992 15.150 205 HA3 GLY 29 HA3 GLY 29 9.291 -8.283 16.444 206 H LYS 30 H LYS 30 10.563 -6.810 13.869 207 HA LYS 30 HA LYS 30 8.623 -4.603 13.991 208 HB2 LYS 30 HB2 LYS 30 10.652 -3.093 13.800 209 HB3 LYS 30 HB3 LYS 30 10.416 -3.903 15.340 210 HG2 LYS 30 HG2 LYS 30 12.110 -5.562 14.723 211 HG3 LYS 30 HG3 LYS 30 12.353 -4.737 13.183 212 HD2 LYS 30 HD2 LYS 30 14.076 -4.133 14.811 213 HD3 LYS 30 HD3 LYS 30 13.100 -2.736 14.361 214 HE2 LYS 30 HE2 LYS 30 13.532 -2.765 16.762 215 HE3 LYS 30 HE3 LYS 30 11.814 -2.964 16.429 216 HZ1 LYS 30 HZ1 LYS 30 12.594 -4.458 18.164 217 HZ2 LYS 30 HZ2 LYS 30 13.695 -5.169 17.087 218 HZ3 LYS 30 HZ3 LYS 30 12.028 -5.323 16.823 219 H ILE 31 H ILE 31 8.752 -3.056 12.206 220 HA ILE 31 HA ILE 31 8.682 -4.493 9.715 221 HB ILE 31 HB ILE 31 8.279 -1.527 10.191 222 HG12 ILE 31 HG12 ILE 31 6.179 -3.698 10.010 223 HG13 ILE 31 HG13 ILE 31 6.740 -2.996 11.522 224 HG21 ILE 31 HG21 ILE 31 8.720 -2.082 7.858 225 HG22 ILE 31 HG22 ILE 31 7.040 -1.591 8.077 226 HG23 ILE 31 HG23 ILE 31 7.441 -3.298 7.893 227 HD11 ILE 31 HD11 ILE 31 5.380 -1.490 9.299 228 HD12 ILE 31 HD12 ILE 31 5.889 -0.827 10.853 229 HD13 ILE 31 HD13 ILE 31 4.612 -2.043 10.788 230 H VAL 32 H VAL 32 10.470 -4.844 8.545 231 HA VAL 32 HA VAL 32 12.682 -2.952 8.818 232 HB VAL 32 HB VAL 32 14.103 -4.688 7.778 233 HG11 VAL 32 HG11 VAL 32 14.135 -6.157 9.737 234 HG12 VAL 32 HG12 VAL 32 12.553 -5.542 10.218 235 HG13 VAL 32 HG13 VAL 32 13.948 -4.462 10.188 236 HG21 VAL 32 HG21 VAL 32 11.615 -6.388 7.951 237 HG22 VAL 32 HG22 VAL 32 13.239 -7.010 7.660 238 HG23 VAL 32 HG23 VAL 32 12.482 -5.930 6.485 239 H SER 33 H SER 33 10.224 -3.824 6.667 240 HA SER 33 HA SER 33 11.009 -1.901 4.727 241 HB2 SER 33 HB2 SER 33 12.478 -3.868 4.094 242 HB3 SER 33 HB3 SER 33 11.004 -4.783 3.782 243 HG SER 33 HG SER 33 11.895 -2.428 2.464 244 H VAL 34 H VAL 34 9.377 -1.823 2.956 245 HA VAL 34 HA VAL 34 7.014 -3.441 3.347 246 HB VAL 34 HB VAL 34 6.535 -1.486 4.733 247 HG11 VAL 34 HG11 VAL 34 6.912 0.127 2.236 248 HG12 VAL 34 HG12 VAL 34 7.913 0.173 3.688 249 HG13 VAL 34 HG13 VAL 34 6.241 0.735 3.750 250 HG21 VAL 34 HG21 VAL 34 4.665 -2.543 3.635 251 HG22 VAL 34 HG22 VAL 34 4.902 -1.536 2.205 252 HG23 VAL 34 HG23 VAL 34 4.406 -0.799 3.728 253 H ASP 35 H ASP 35 5.958 -3.874 1.538 254 HA ASP 35 HA ASP 35 7.151 -2.957 -0.984 255 HB2 ASP 35 HB2 ASP 35 7.698 -5.308 -0.380 256 HB3 ASP 35 HB3 ASP 35 5.979 -5.673 -0.331 257 H TRP 36 H TRP 36 5.803 -2.147 -2.454 258 HA TRP 36 HA TRP 36 2.939 -2.258 -1.842 259 HB2 TRP 36 HB2 TRP 36 2.912 -0.169 -3.416 260 HB3 TRP 36 HB3 TRP 36 3.400 -0.003 -1.736 261 HD1 TRP 36 HD1 TRP 36 5.852 0.755 -1.245 262 HE1 TRP 36 HE1 TRP 36 7.770 1.636 -2.711 263 HE3 TRP 36 HE3 TRP 36 3.978 -0.455 -5.852 264 HZ2 TRP 36 HZ2 TRP 36 8.400 1.806 -5.449 265 HZ3 TRP 36 HZ3 TRP 36 5.307 0.106 -7.841 266 HH2 TRP 36 HH2 TRP 36 7.470 1.211 -7.642 267 H ASN 37 H ASN 37 1.460 -2.571 -3.421 268 HA ASN 37 HA ASN 37 2.137 -3.318 -6.116 269 HB2 ASN 37 HB2 ASN 37 2.943 -5.274 -4.780 270 HB3 ASN 37 HB3 ASN 37 1.345 -5.453 -4.087 271 HD21 ASN 37 HD21 ASN 37 0.897 -7.421 -4.761 272 HD22 ASN 37 HD22 ASN 37 0.734 -7.890 -6.418 273 H ALA 38 H ALA 38 -0.013 -4.192 -7.169 274 HA ALA 38 HA ALA 38 -2.446 -3.621 -5.679 275 HB1 ALA 38 HB1 ALA 38 -1.807 -2.203 -8.281 276 HB2 ALA 38 HB2 ALA 38 -1.873 -1.454 -6.683 277 HB3 ALA 38 HB3 ALA 38 -3.339 -2.118 -7.404 278 H ILE 39 H ILE 39 -4.413 -4.423 -6.948 279 HA ILE 39 HA ILE 39 -3.634 -6.516 -8.897 280 HB ILE 39 HB ILE 39 -6.127 -6.702 -7.194 281 HG12 ILE 39 HG12 ILE 39 -3.499 -8.067 -6.555 282 HG13 ILE 39 HG13 ILE 39 -4.077 -6.629 -5.720 283 HG21 ILE 39 HG21 ILE 39 -4.505 -8.759 -8.706 284 HG22 ILE 39 HG22 ILE 39 -6.048 -8.069 -9.214 285 HG23 ILE 39 HG23 ILE 39 -5.968 -9.088 -7.775 286 HD11 ILE 39 HD11 ILE 39 -6.051 -7.868 -4.971 287 HD12 ILE 39 HD12 ILE 39 -4.548 -8.616 -4.427 288 HD13 ILE 39 HD13 ILE 39 -5.438 -9.311 -5.781 289 H ASN 40 H ASN 40 -4.694 -6.471 -10.856 290 HA ASN 40 HA ASN 40 -6.320 -4.140 -11.354 291 HB2 ASN 40 HB2 ASN 40 -4.558 -5.049 -12.939 292 HB3 ASN 40 HB3 ASN 40 -5.707 -6.326 -13.338 293 HD21 ASN 40 HD21 ASN 40 -5.103 -2.883 -13.458 294 HD22 ASN 40 HD22 ASN 40 -6.224 -2.541 -14.730 295 H LYS 41 H LYS 41 -8.364 -3.995 -11.853 296 HA LYS 41 HA LYS 41 -10.247 -5.757 -10.759 297 HB2 LYS 41 HB2 LYS 41 -10.395 -3.273 -11.044 298 HB3 LYS 41 HB3 LYS 41 -10.663 -3.534 -12.755 299 HG2 LYS 41 HG2 LYS 41 -12.738 -4.739 -12.214 300 HG3 LYS 41 HG3 LYS 41 -12.468 -4.374 -10.505 301 HD2 LYS 41 HD2 LYS 41 -12.415 -1.962 -11.082 302 HD3 LYS 41 HD3 LYS 41 -12.839 -2.385 -12.741 303 HE2 LYS 41 HE2 LYS 41 -14.912 -3.407 -11.926 304 HE3 LYS 41 HE3 LYS 41 -14.488 -2.929 -10.281 305 HZ1 LYS 41 HZ1 LYS 41 -15.002 -1.111 -12.570 306 HZ2 LYS 41 HZ2 LYS 41 -14.484 -0.610 -11.037 307 HZ3 LYS 41 HZ3 LYS 41 -16.000 -1.342 -11.218 308 H ASP 42 H ASP 42 -9.543 -4.977 -14.138 309 HA ASP 42 HA ASP 42 -11.434 -6.929 -15.102 310 HB2 ASP 42 HB2 ASP 42 -11.227 -4.833 -16.288 311 HB3 ASP 42 HB3 ASP 42 -9.498 -5.073 -16.508 312 H GLY 43 H GLY 43 -7.958 -6.596 -14.792 313 HA2 GLY 43 HA2 GLY 43 -7.313 -8.822 -16.502 314 HA3 GLY 43 HA3 GLY 43 -6.187 -7.899 -15.518 315 H GLY 44 H GLY 44 -6.934 -8.253 -13.004 316 HA2 GLY 44 HA2 GLY 44 -7.501 -9.874 -11.357 317 HA3 GLY 44 HA3 GLY 44 -7.321 -11.131 -12.570 318 H ASP 45 H ASP 45 -4.770 -9.217 -13.087 319 HA ASP 45 HA ASP 45 -3.033 -10.945 -11.488 320 HB2 ASP 45 HB2 ASP 45 -2.363 -9.191 -13.864 321 HB3 ASP 45 HB3 ASP 45 -1.224 -10.231 -13.022 322 H ASP 46 H ASP 46 -1.052 -10.004 -10.663 323 HA ASP 46 HA ASP 46 -1.543 -7.642 -9.107 324 HB2 ASP 46 HB2 ASP 46 0.966 -9.298 -9.461 325 HB3 ASP 46 HB3 ASP 46 0.750 -8.045 -8.243 326 H LYS 47 H LYS 47 -0.058 -5.797 -9.068 327 HA LYS 47 HA LYS 47 0.537 -4.616 -11.543 328 HB2 LYS 47 HB2 LYS 47 0.656 -3.875 -8.803 329 HB3 LYS 47 HB3 LYS 47 2.242 -3.543 -9.490 330 HG2 LYS 47 HG2 LYS 47 -0.399 -2.514 -10.496 331 HG3 LYS 47 HG3 LYS 47 0.844 -1.589 -9.647 332 HD2 LYS 47 HD2 LYS 47 2.347 -1.770 -11.455 333 HD3 LYS 47 HD3 LYS 47 1.377 -3.021 -12.237 334 HE2 LYS 47 HE2 LYS 47 0.836 -1.169 -13.467 335 HE3 LYS 47 HE3 LYS 47 -0.454 -1.199 -12.264 336 HZ1 LYS 47 HZ1 LYS 47 0.400 1.005 -12.519 337 HZ2 LYS 47 HZ2 LYS 47 1.978 0.488 -12.180 338 HZ3 LYS 47 HZ3 LYS 47 0.782 0.429 -10.973 339 H ASP 48 H ASP 48 2.519 -6.365 -9.243 340 HA ASP 48 HA ASP 48 5.007 -6.413 -10.455 341 HB2 ASP 48 HB2 ASP 48 4.854 -7.402 -8.338 342 HB3 ASP 48 HB3 ASP 48 3.433 -8.340 -8.769 343 H THR 49 H THR 49 2.252 -8.589 -11.038 344 HA THR 49 HA THR 49 3.670 -10.200 -12.912 345 HB THR 49 HB THR 49 0.683 -10.176 -12.463 346 HG1 THR 49 HG1 THR 49 2.750 -10.732 -10.732 347 HG21 THR 49 HG21 THR 49 2.631 -12.389 -13.162 348 HG22 THR 49 HG22 THR 49 1.494 -11.630 -14.276 349 HG23 THR 49 HG23 THR 49 0.892 -12.583 -12.922 350 H LEU 50 H LEU 50 1.298 -7.567 -13.212 351 HA LEU 50 HA LEU 50 0.883 -7.854 -16.010 352 HB2 LEU 50 HB2 LEU 50 0.384 -5.564 -14.127 353 HB3 LEU 50 HB3 LEU 50 0.007 -5.482 -15.837 354 HG LEU 50 HG LEU 50 -1.179 -7.434 -13.861 355 HD11 LEU 50 HD11 LEU 50 -2.376 -5.065 -15.280 356 HD12 LEU 50 HD12 LEU 50 -1.974 -5.156 -13.564 357 HD13 LEU 50 HD13 LEU 50 -3.236 -6.192 -14.231 358 HD21 LEU 50 HD21 LEU 50 -0.967 -8.407 -16.095 359 HD22 LEU 50 HD22 LEU 50 -1.785 -7.006 -16.788 360 HD23 LEU 50 HD23 LEU 50 -2.654 -8.085 -15.694 361 H SER 51 H SER 51 3.198 -5.990 -14.115 362 HA SER 51 HA SER 51 4.256 -4.545 -16.342 363 HB2 SER 51 HB2 SER 51 4.467 -3.845 -13.938 364 HB3 SER 51 HB3 SER 51 5.612 -5.164 -13.702 365 HG SER 51 HG SER 51 6.015 -3.269 -15.752 366 H ARG 52 H ARG 52 4.862 -7.673 -14.899 367 HA ARG 52 HA ARG 52 7.287 -8.217 -16.332 368 HB2 ARG 52 HB2 ARG 52 5.423 -9.849 -14.641 369 HB3 ARG 52 HB3 ARG 52 6.740 -10.612 -15.520 370 HG2 ARG 52 HG2 ARG 52 8.374 -9.464 -14.282 371 HG3 ARG 52 HG3 ARG 52 7.199 -8.310 -13.650 372 HD2 ARG 52 HD2 ARG 52 7.887 -9.976 -11.966 373 HD3 ARG 52 HD3 ARG 52 6.161 -10.035 -12.314 374 HE ARG 52 HE ARG 52 7.788 -11.899 -13.824 375 HH11 ARG 52 HH11 ARG 52 5.858 -11.433 -10.909 376 HH12 ARG 52 HH12 ARG 52 5.551 -13.134 -10.719 377 HH21 ARG 52 HH21 ARG 52 7.366 -14.111 -13.544 378 HH22 ARG 52 HH22 ARG 52 6.406 -14.637 -12.197 379 H ASN 53 H ASN 53 3.863 -8.845 -16.874 380 HA ASN 53 HA ASN 53 4.328 -10.612 -19.118 381 HB2 ASN 53 HB2 ASN 53 1.814 -9.374 -17.985 382 HB3 ASN 53 HB3 ASN 53 1.811 -10.364 -19.438 383 HD21 ASN 53 HD21 ASN 53 0.453 -10.821 -16.949 384 HD22 ASN 53 HD22 ASN 53 1.020 -12.342 -16.350 385 H GLY 54 H GLY 54 3.844 -7.236 -18.626 386 HA2 GLY 54 HA2 GLY 54 3.914 -5.473 -20.142 387 HA3 GLY 54 HA3 GLY 54 4.050 -6.640 -21.450 388 H GLY 55 H GLY 55 1.567 -6.571 -18.960 389 HA2 GLY 55 HA2 GLY 55 -0.434 -5.903 -21.025 390 HA3 GLY 55 HA3 GLY 55 -0.682 -7.220 -19.888 391 H TYR 56 H TYR 56 0.750 -4.082 -19.228 392 HA TYR 56 HA TYR 56 -0.976 -3.556 -17.016 393 HB2 TYR 56 HB2 TYR 56 1.312 -2.827 -16.946 394 HB3 TYR 56 HB3 TYR 56 1.144 -1.942 -18.446 395 HD1 TYR 56 HD2 TYR 56 -1.337 -1.621 -15.662 396 HD2 TYR 56 HD1 TYR 56 2.048 0.045 -17.628 397 HE1 TYR 56 HE2 TYR 56 -1.645 0.473 -14.427 398 HE2 TYR 56 HE1 TYR 56 1.742 2.140 -16.391 399 HH TYR 56 HH TYR 56 -0.222 3.343 -15.228 400 H LYS 57 H LYS 57 -3.033 -3.640 -17.922 401 HA LYS 57 HA LYS 57 -3.797 -1.303 -19.522 402 HB2 LYS 57 HB2 LYS 57 -5.248 -3.925 -19.131 403 HB3 LYS 57 HB3 LYS 57 -5.834 -2.576 -20.094 404 HG2 LYS 57 HG2 LYS 57 -3.748 -2.807 -21.490 405 HG3 LYS 57 HG3 LYS 57 -3.434 -4.311 -20.624 406 HD2 LYS 57 HD2 LYS 57 -4.531 -4.832 -22.691 407 HD3 LYS 57 HD3 LYS 57 -5.657 -5.137 -21.369 408 HE2 LYS 57 HE2 LYS 57 -6.781 -4.025 -23.222 409 HE3 LYS 57 HE3 LYS 57 -6.745 -2.982 -21.802 410 HZ1 LYS 57 HZ1 LYS 57 -4.909 -2.788 -24.135 411 HZ2 LYS 57 HZ2 LYS 57 -4.890 -1.780 -22.773 412 HZ3 LYS 57 HZ3 LYS 57 -6.222 -1.763 -23.820 413 H MET 58 H MET 58 -4.529 0.271 -18.400 414 HA MET 58 HA MET 58 -5.909 -0.078 -15.869 415 HB2 MET 58 HB2 MET 58 -5.268 2.399 -17.483 416 HB3 MET 58 HB3 MET 58 -5.967 2.392 -15.874 417 HG2 MET 58 HG2 MET 58 -3.977 1.390 -14.964 418 HG3 MET 58 HG3 MET 58 -3.266 1.277 -16.573 419 HE1 MET 58 HE1 MET 58 -2.588 4.995 -17.480 420 HE2 MET 58 HE2 MET 58 -3.983 4.020 -17.940 421 HE3 MET 58 HE3 MET 58 -2.370 3.308 -17.950 422 H VAL 59 H VAL 59 -8.117 0.327 -15.547 423 HA VAL 59 HA VAL 59 -9.678 0.243 -17.976 424 HB VAL 59 HB VAL 59 -11.611 -0.297 -16.755 425 HG11 VAL 59 HG11 VAL 59 -10.034 -2.123 -16.831 426 HG12 VAL 59 HG12 VAL 59 -10.956 -2.175 -15.328 427 HG13 VAL 59 HG13 VAL 59 -9.296 -1.583 -15.322 428 HG21 VAL 59 HG21 VAL 59 -10.257 0.570 -14.202 429 HG22 VAL 59 HG22 VAL 59 -11.861 -0.152 -14.333 430 HG23 VAL 59 HG23 VAL 59 -11.548 1.432 -15.043 431 H GLU 60 H GLU 60 -8.649 2.563 -15.721 432 HA GLU 60 HA GLU 60 -10.201 4.629 -17.106 433 HB2 GLU 60 HB2 GLU 60 -9.872 4.364 -14.108 434 HB3 GLU 60 HB3 GLU 60 -10.363 5.859 -14.888 435 HG2 GLU 60 HG2 GLU 60 -11.867 3.269 -15.155 436 HG3 GLU 60 HG3 GLU 60 -12.220 4.483 -13.928 437 H TYR 61 H TYR 61 -8.962 6.281 -17.776 438 HA TYR 61 HA TYR 61 -6.133 6.155 -17.098 439 HB2 TYR 61 HB2 TYR 61 -7.530 7.890 -19.143 440 HB3 TYR 61 HB3 TYR 61 -5.790 7.697 -18.963 441 HD1 TYR 61 HD1 TYR 61 -5.115 5.027 -18.925 442 HD2 TYR 61 HD2 TYR 61 -8.447 6.769 -20.913 443 HE1 TYR 61 HE1 TYR 61 -5.171 3.124 -20.483 444 HE2 TYR 61 HE2 TYR 61 -8.518 4.874 -22.469 445 HH TYR 61 HH TYR 61 -6.871 1.993 -21.942 446 H GLY 62 H GLY 62 -8.842 7.864 -16.072 447 HA2 GLY 62 HA2 GLY 62 -7.573 10.336 -15.365 448 HA3 GLY 62 HA3 GLY 62 -9.145 9.773 -14.817 449 H GLY 63 H GLY 63 -8.478 7.402 -13.568 450 HA2 GLY 63 HA2 GLY 63 -7.139 8.442 -11.181 451 HA3 GLY 63 HA3 GLY 63 -8.158 7.014 -11.260 452 H ALA 64 H ALA 64 -5.229 8.069 -12.977 453 HA ALA 64 HA ALA 64 -4.133 5.388 -12.696 454 HB1 ALA 64 HB1 ALA 64 -4.169 6.393 -14.916 455 HB2 ALA 64 HB2 ALA 64 -2.517 6.073 -14.388 456 HB3 ALA 64 HB3 ALA 64 -3.156 7.716 -14.336 457 H GLN 65 H GLN 65 -3.732 8.517 -11.445 458 HA GLN 65 HA GLN 65 -1.024 8.124 -10.473 459 HB2 GLN 65 HB2 GLN 65 -1.688 10.467 -9.376 460 HB3 GLN 65 HB3 GLN 65 -1.190 10.336 -11.054 461 HG2 GLN 65 HG2 GLN 65 -3.105 11.775 -10.919 462 HG3 GLN 65 HG3 GLN 65 -3.581 10.285 -11.719 463 HE21 GLN 65 HE21 GLN 65 -5.654 10.166 -11.278 464 HE22 GLN 65 HE22 GLN 65 -6.345 10.097 -9.697 465 H ALA 66 H ALA 66 -3.864 6.957 -9.470 466 HA ALA 66 HA ALA 66 -3.672 7.765 -6.663 467 HB1 ALA 66 HB1 ALA 66 -5.990 7.080 -6.491 468 HB2 ALA 66 HB2 ALA 66 -5.952 6.487 -8.152 469 HB3 ALA 66 HB3 ALA 66 -5.766 8.211 -7.827 470 H GLU 67 H GLU 67 -2.564 5.323 -8.468 471 HA GLU 67 HA GLU 67 -2.923 3.313 -6.351 472 HB2 GLU 67 HB2 GLU 67 -2.247 1.652 -8.123 473 HB3 GLU 67 HB3 GLU 67 -3.789 2.445 -8.402 474 HG2 GLU 67 HG2 GLU 67 -3.107 3.200 -10.367 475 HG3 GLU 67 HG3 GLU 67 -1.674 3.931 -9.645 476 H TRP 68 H TRP 68 -0.982 1.783 -6.184 477 HA TRP 68 HA TRP 68 1.344 3.436 -5.678 478 HB2 TRP 68 HB2 TRP 68 1.011 0.491 -5.060 479 HB3 TRP 68 HB3 TRP 68 2.174 1.607 -4.353 480 HD1 TRP 68 HD1 TRP 68 -0.971 0.001 -3.549 481 HE1 TRP 68 HE1 TRP 68 -2.243 1.246 -1.693 482 HE3 TRP 68 HE3 TRP 68 1.676 4.361 -3.528 483 HZ2 TRP 68 HZ2 TRP 68 -2.141 3.753 -0.406 484 HZ3 TRP 68 HZ3 TRP 68 1.032 6.119 -1.960 485 HH2 TRP 68 HH2 TRP 68 -0.835 5.828 -0.423 486 H HIS 69 H HIS 69 2.491 3.820 -7.499 487 HA HIS 69 HA HIS 69 3.863 1.526 -8.613 488 HB2 HIS 69 HB2 HIS 69 3.513 2.143 -10.953 489 HB3 HIS 69 HB3 HIS 69 2.013 1.722 -10.158 490 HD1 HIS 69 HD1 HIS 69 3.237 3.980 -12.538 491 HD2 HIS 69 HD2 HIS 69 0.657 4.364 -9.300 492 HE1 HIS 69 HE1 HIS 69 1.838 6.011 -13.017 493 HE2 HIS 69 HE2 HIS 69 0.124 6.051 -11.191 494 H GLU 70 H GLU 70 3.724 5.039 -8.279 495 HA GLU 70 HA GLU 70 6.608 5.044 -8.833 496 HB2 GLU 70 HB2 GLU 70 4.562 7.026 -9.779 497 HB3 GLU 70 HB3 GLU 70 6.278 7.400 -9.720 498 HG2 GLU 70 HG2 GLU 70 6.753 5.610 -11.272 499 HG3 GLU 70 HG3 GLU 70 5.052 5.139 -11.279 500 H GLN 71 H GLN 71 4.088 7.209 -7.472 501 HA GLN 71 HA GLN 71 6.024 8.560 -5.846 502 HB2 GLN 71 HB2 GLN 71 3.022 8.780 -5.919 503 HB3 GLN 71 HB3 GLN 71 4.065 9.811 -4.947 504 HG2 GLN 71 HG2 GLN 71 4.004 9.599 -7.947 505 HG3 GLN 71 HG3 GLN 71 3.481 10.963 -6.964 506 HE21 GLN 71 HE21 GLN 71 5.048 12.314 -6.038 507 HE22 GLN 71 HE22 GLN 71 6.700 12.283 -6.542 508 H ALA 72 H ALA 72 4.499 5.693 -5.414 509 HA ALA 72 HA ALA 72 3.980 5.534 -2.666 510 HB1 ALA 72 HB1 ALA 72 4.135 3.137 -2.985 511 HB2 ALA 72 HB2 ALA 72 4.896 3.387 -4.557 512 HB3 ALA 72 HB3 ALA 72 3.227 3.894 -4.294 513 H GLU 73 H GLU 73 7.004 5.556 -4.428 514 HA GLU 73 HA GLU 73 8.727 4.340 -2.582 515 HB2 GLU 73 HB2 GLU 73 10.531 5.562 -3.696 516 HB3 GLU 73 HB3 GLU 73 9.419 4.856 -4.857 517 HG2 GLU 73 HG2 GLU 73 8.422 6.992 -5.291 518 HG3 GLU 73 HG3 GLU 73 9.351 7.737 -3.991 519 H LYS 74 H LYS 74 7.380 7.593 -2.584 520 HA LYS 74 HA LYS 74 9.108 8.637 -0.546 521 HB2 LYS 74 HB2 LYS 74 6.378 9.565 -1.472 522 HB3 LYS 74 HB3 LYS 74 7.459 10.479 -0.438 523 HG2 LYS 74 HG2 LYS 74 8.380 9.630 -3.151 524 HG3 LYS 74 HG3 LYS 74 7.289 11.003 -2.985 525 HD2 LYS 74 HD2 LYS 74 9.460 11.916 -3.026 526 HD3 LYS 74 HD3 LYS 74 8.966 11.960 -1.338 527 HE2 LYS 74 HE2 LYS 74 11.279 11.237 -1.530 528 HE3 LYS 74 HE3 LYS 74 10.275 9.925 -0.916 529 HZ1 LYS 74 HZ1 LYS 74 11.134 10.219 -3.744 530 HZ2 LYS 74 HZ2 LYS 74 10.261 8.928 -3.091 531 HZ3 LYS 74 HZ3 LYS 74 11.859 9.189 -2.612 532 H VAL 75 H VAL 75 6.067 6.989 -0.685 533 HA VAL 75 HA VAL 75 5.172 7.557 1.957 534 HB VAL 75 HB VAL 75 4.204 5.375 0.100 535 HG11 VAL 75 HG11 VAL 75 2.067 5.694 1.231 536 HG12 VAL 75 HG12 VAL 75 2.809 6.897 2.289 537 HG13 VAL 75 HG13 VAL 75 3.338 5.214 2.356 538 HG21 VAL 75 HG21 VAL 75 4.238 7.504 -1.097 539 HG22 VAL 75 HG22 VAL 75 3.312 8.255 0.204 540 HG23 VAL 75 HG23 VAL 75 2.586 6.977 -0.773 541 H GLU 76 H GLU 76 6.837 4.834 0.428 542 HA GLU 76 HA GLU 76 6.510 2.963 2.511 543 HB2 GLU 76 HB2 GLU 76 8.346 1.692 1.417 544 HB3 GLU 76 HB3 GLU 76 7.050 2.145 0.322 545 HG2 GLU 76 HG2 GLU 76 8.364 3.742 -0.750 546 HG3 GLU 76 HG3 GLU 76 9.524 3.804 0.574 547 H ALA 77 H ALA 77 9.124 5.273 1.866 548 HA ALA 77 HA ALA 77 10.962 4.376 3.790 549 HB1 ALA 77 HB1 ALA 77 11.545 5.877 1.956 550 HB2 ALA 77 HB2 ALA 77 12.035 6.538 3.518 551 HB3 ALA 77 HB3 ALA 77 10.597 7.160 2.707 552 H TYR 78 H TYR 78 8.211 6.511 4.057 553 HA TYR 78 HA TYR 78 8.855 7.571 6.621 554 HB2 TYR 78 HB2 TYR 78 7.323 8.592 4.862 555 HB3 TYR 78 HB3 TYR 78 6.101 7.449 5.414 556 HD1 TYR 78 HD2 TYR 78 8.351 10.145 6.608 557 HD2 TYR 78 HD1 TYR 78 4.751 7.974 7.256 558 HE1 TYR 78 HE2 TYR 78 7.756 11.686 8.420 559 HE2 TYR 78 HE1 TYR 78 4.147 9.511 9.072 560 HH TYR 78 HH TYR 78 5.815 12.446 9.616 561 H LEU 79 H LEU 79 7.020 4.788 5.515 562 HA LEU 79 HA LEU 79 5.868 4.130 8.043 563 HB2 LEU 79 HB2 LEU 79 5.101 3.429 5.730 564 HB3 LEU 79 HB3 LEU 79 6.433 2.305 5.699 565 HG LEU 79 HG LEU 79 4.032 1.478 6.239 566 HD11 LEU 79 HD11 LEU 79 5.954 0.037 6.289 567 HD12 LEU 79 HD12 LEU 79 4.888 -0.311 7.650 568 HD13 LEU 79 HD13 LEU 79 6.373 0.605 7.905 569 HD21 LEU 79 HD21 LEU 79 3.503 1.390 8.633 570 HD22 LEU 79 HD22 LEU 79 3.489 3.035 7.999 571 HD23 LEU 79 HD23 LEU 79 4.858 2.474 8.959 572 H VAL 80 H VAL 80 8.909 3.332 6.437 573 HA VAL 80 HA VAL 80 9.740 1.321 8.255 574 HB VAL 80 HB VAL 80 11.453 3.070 6.465 575 HG11 VAL 80 HG11 VAL 80 13.137 1.299 6.630 576 HG12 VAL 80 HG12 VAL 80 12.120 0.438 7.786 577 HG13 VAL 80 HG13 VAL 80 12.796 2.011 8.208 578 HG21 VAL 80 HG21 VAL 80 10.290 0.324 6.004 579 HG22 VAL 80 HG22 VAL 80 11.416 1.155 4.931 580 HG23 VAL 80 HG23 VAL 80 9.804 1.817 5.198 581 H GLU 81 H GLU 81 10.224 4.871 8.262 582 HA GLU 81 HA GLU 81 11.898 4.732 10.589 583 HB2 GLU 81 HB2 GLU 81 11.654 7.207 10.690 584 HB3 GLU 81 HB3 GLU 81 12.280 6.593 9.168 585 HG2 GLU 81 HG2 GLU 81 10.223 6.999 8.060 586 HG3 GLU 81 HG3 GLU 81 9.391 7.303 9.584 587 H LYS 82 H LYS 82 8.444 5.151 10.075 588 HA LYS 82 HA LYS 82 7.963 6.046 12.765 589 HB2 LYS 82 HB2 LYS 82 6.216 5.404 10.424 590 HB3 LYS 82 HB3 LYS 82 5.502 5.572 12.023 591 HG2 LYS 82 HG2 LYS 82 7.180 7.665 10.653 592 HG3 LYS 82 HG3 LYS 82 5.413 7.652 10.711 593 HD2 LYS 82 HD2 LYS 82 5.481 7.763 13.134 594 HD3 LYS 82 HD3 LYS 82 7.242 7.722 13.100 595 HE2 LYS 82 HE2 LYS 82 5.551 9.881 11.852 596 HE3 LYS 82 HE3 LYS 82 6.286 9.990 13.450 597 HZ1 LYS 82 HZ1 LYS 82 7.725 9.728 10.864 598 HZ2 LYS 82 HZ2 LYS 82 8.469 9.735 12.383 599 HZ3 LYS 82 HZ3 LYS 82 7.645 11.113 11.837 600 H GLN 83 H GLN 83 7.790 2.994 11.075 601 HA GLN 83 HA GLN 83 7.559 0.837 11.719 602 HB2 GLN 83 HB2 GLN 83 7.983 1.955 14.496 603 HB3 GLN 83 HB3 GLN 83 7.881 0.238 14.134 604 HG2 GLN 83 HG2 GLN 83 9.906 2.078 12.902 605 HG3 GLN 83 HG3 GLN 83 10.185 1.152 14.377 606 HE21 GLN 83 HE21 GLN 83 9.735 1.016 10.962 607 HE22 GLN 83 HE22 GLN 83 10.283 -0.612 10.753 608 H ASP 84 H ASP 84 5.210 2.846 11.829 609 HA ASP 84 HA ASP 84 3.358 1.139 13.301 610 HB2 ASP 84 HB2 ASP 84 4.241 3.045 14.751 611 HB3 ASP 84 HB3 ASP 84 3.389 4.142 13.666 612 HA PRO 85 HA PRO 85 1.256 1.976 9.443 613 HB2 PRO 85 HB2 PRO 85 -0.697 0.170 9.717 614 HB3 PRO 85 HB3 PRO 85 0.983 -0.302 9.441 615 HG2 PRO 85 HG2 PRO 85 -0.563 -0.233 12.004 616 HG3 PRO 85 HG3 PRO 85 0.510 -1.500 11.377 617 HD2 PRO 85 HD2 PRO 85 1.297 0.353 13.212 618 HD3 PRO 85 HD3 PRO 85 2.403 -0.408 12.053 619 H THR 86 H THR 86 0.178 3.101 12.414 620 HA THR 86 HA THR 86 -2.176 4.252 11.090 621 HB THR 86 HB THR 86 -3.006 2.483 12.550 622 HG1 THR 86 HG1 THR 86 -4.618 3.681 13.381 623 HG21 THR 86 HG21 THR 86 -1.274 2.426 14.243 624 HG22 THR 86 HG22 THR 86 -2.856 2.662 14.987 625 HG23 THR 86 HG23 THR 86 -1.752 4.027 14.815 626 H ASP 87 H ASP 87 0.715 4.871 12.612 627 HA ASP 87 HA ASP 87 -0.058 7.433 13.723 628 HB2 ASP 87 HB2 ASP 87 1.840 6.063 14.682 629 HB3 ASP 87 HB3 ASP 87 2.747 6.414 13.214 630 H ILE 88 H ILE 88 -0.874 8.647 12.154 631 HA ILE 88 HA ILE 88 0.795 9.913 10.250 632 HB ILE 88 HB ILE 88 0.501 7.697 9.132 633 HG12 ILE 88 HG12 ILE 88 -0.297 8.583 6.915 634 HG13 ILE 88 HG13 ILE 88 -0.734 10.075 7.738 635 HG21 ILE 88 HG21 ILE 88 -2.421 8.416 9.026 636 HG22 ILE 88 HG22 ILE 88 -1.694 7.087 9.930 637 HG23 ILE 88 HG23 ILE 88 -1.666 7.073 8.165 638 HD11 ILE 88 HD11 ILE 88 1.598 10.411 8.373 639 HD12 ILE 88 HD12 ILE 88 1.413 10.276 6.624 640 HD13 ILE 88 HD13 ILE 88 2.035 8.911 7.553 641 H LYS 89 H LYS 89 -0.263 11.730 9.341 642 HA LYS 89 HA LYS 89 -3.077 12.112 10.085 643 HB2 LYS 89 HB2 LYS 89 -1.503 13.245 11.700 644 HB3 LYS 89 HB3 LYS 89 -0.979 14.266 10.367 645 HG2 LYS 89 HG2 LYS 89 -2.610 15.423 11.710 646 HG3 LYS 89 HG3 LYS 89 -3.279 15.087 10.112 647 HD2 LYS 89 HD2 LYS 89 -4.432 13.109 11.057 648 HD3 LYS 89 HD3 LYS 89 -3.819 13.549 12.651 649 HE2 LYS 89 HE2 LYS 89 -5.589 15.288 10.937 650 HE3 LYS 89 HE3 LYS 89 -6.150 14.285 12.273 651 HZ1 LYS 89 HZ1 LYS 89 -4.238 16.551 12.466 652 HZ2 LYS 89 HZ2 LYS 89 -4.712 15.562 13.757 653 HZ3 LYS 89 HZ3 LYS 89 -5.852 16.553 12.987 654 H TYR 90 H TYR 90 -4.316 12.838 8.507 655 HA TYR 90 HA TYR 90 -3.035 13.935 6.087 656 HB2 TYR 90 HB2 TYR 90 -5.783 12.661 6.187 657 HB3 TYR 90 HB3 TYR 90 -4.824 13.056 4.768 658 HD1 TYR 90 HD2 TYR 90 -2.565 11.830 4.528 659 HD2 TYR 90 HD1 TYR 90 -5.727 10.515 7.031 660 HE1 TYR 90 HE2 TYR 90 -1.593 9.573 4.556 661 HE2 TYR 90 HE1 TYR 90 -4.767 8.252 7.073 662 HH TYR 90 HH TYR 90 -3.295 6.873 5.783 663 H LYS 91 H LYS 91 -3.923 15.744 5.106 664 HA LYS 91 HA LYS 91 -6.192 17.024 6.447 665 HB2 LYS 91 HB2 LYS 91 -4.610 19.210 5.918 666 HB3 LYS 91 HB3 LYS 91 -4.827 18.478 7.493 667 HG2 LYS 91 HG2 LYS 91 -2.494 18.870 7.159 668 HG3 LYS 91 HG3 LYS 91 -2.762 17.138 7.106 669 HD2 LYS 91 HD2 LYS 91 -1.155 17.722 5.412 670 HD3 LYS 91 HD3 LYS 91 -2.654 17.257 4.614 671 HE2 LYS 91 HE2 LYS 91 -3.145 19.430 3.984 672 HE3 LYS 91 HE3 LYS 91 -2.083 20.138 5.205 673 HZ1 LYS 91 HZ1 LYS 91 -1.106 18.568 2.891 674 HZ2 LYS 91 HZ2 LYS 91 -0.192 19.518 3.960 675 HZ3 LYS 91 HZ3 LYS 91 -1.268 20.254 2.877 676 H ASP 92 H ASP 92 -7.016 16.059 4.264 677 HA ASP 92 HA ASP 92 -7.759 18.426 2.851 678 HB2 ASP 92 HB2 ASP 92 -7.101 17.771 0.613 679 HB3 ASP 92 HB3 ASP 92 -5.660 17.755 1.619 680 H ASN 93 H ASN 93 -8.914 17.035 0.619 681 HA ASN 93 HA ASN 93 -11.095 15.615 1.951 682 HB2 ASN 93 HB2 ASN 93 -10.784 16.933 -0.738 683 HB3 ASN 93 HB3 ASN 93 -12.136 15.861 -0.407 684 HD21 ASN 93 HD21 ASN 93 -13.542 17.597 -0.768 685 HD22 ASN 93 HD22 ASN 93 -13.782 18.829 0.428 686 H ASP 94 H ASP 94 -8.310 14.339 1.124 687 HA ASP 94 HA ASP 94 -9.541 12.021 -0.233 688 HB2 ASP 94 HB2 ASP 94 -7.632 13.759 -1.445 689 HB3 ASP 94 HB3 ASP 94 -6.835 12.226 -1.131 690 H GLY 95 H GLY 95 -6.455 13.119 1.122 691 HA2 GLY 95 HA2 GLY 95 -5.945 11.599 3.212 692 HA3 GLY 95 HA3 GLY 95 -5.844 10.384 1.942 693 H HIS 96 H HIS 96 -4.864 13.748 1.694 694 HA HIS 96 HA HIS 96 -2.135 12.945 1.038 695 HB2 HIS 96 HB2 HIS 96 -3.688 15.506 0.815 696 HB3 HIS 96 HB3 HIS 96 -1.930 15.538 0.743 697 HD1 HIS 96 HD1 HIS 96 -4.940 14.900 -1.229 698 HD2 HIS 96 HD2 HIS 96 -0.880 14.060 -1.574 699 HE1 HIS 96 HE1 HIS 96 -4.584 14.270 -3.636 700 HE2 HIS 96 HE2 HIS 96 -2.101 13.957 -3.861 701 H THR 97 H THR 97 -0.413 13.444 2.247 702 HA THR 97 HA THR 97 -1.017 14.405 4.952 703 HB THR 97 HB THR 97 -0.599 12.041 5.084 704 HG1 THR 97 HG1 THR 97 0.295 13.016 6.816 705 HG21 THR 97 HG21 THR 97 0.618 11.683 3.019 706 HG22 THR 97 HG22 THR 97 1.512 11.016 4.386 707 HG23 THR 97 HG23 THR 97 2.013 12.548 3.668 708 H ASP 98 H ASP 98 0.434 15.786 5.922 709 HA ASP 98 HA ASP 98 2.189 17.185 4.061 710 HB2 ASP 98 HB2 ASP 98 0.496 18.210 5.823 711 HB3 ASP 98 HB3 ASP 98 1.865 18.021 6.914 712 H ALA 99 H ALA 99 2.353 14.738 6.306 713 HA ALA 99 HA ALA 99 4.965 15.181 7.388 714 HB1 ALA 99 HB1 ALA 99 4.708 12.902 8.245 715 HB2 ALA 99 HB2 ALA 99 3.247 12.707 7.275 716 HB3 ALA 99 HB3 ALA 99 3.286 13.892 8.580 717 H ILE 100 H ILE 100 3.590 13.118 4.817 718 HA ILE 100 HA ILE 100 6.292 12.861 3.692 719 HB ILE 100 HB ILE 100 3.810 11.615 2.499 720 HG12 ILE 100 HG12 ILE 100 5.677 10.214 4.418 721 HG13 ILE 100 HG13 ILE 100 4.164 10.946 4.940 722 HG21 ILE 100 HG21 ILE 100 5.463 10.055 1.542 723 HG22 ILE 100 HG22 ILE 100 6.753 10.944 2.352 724 HG23 ILE 100 HG23 ILE 100 5.798 11.729 1.095 725 HD11 ILE 100 HD11 ILE 100 4.433 8.749 2.904 726 HD12 ILE 100 HD12 ILE 100 2.925 9.462 3.480 727 HD13 ILE 100 HD13 ILE 100 3.948 8.547 4.589 728 H SER 101 H SER 101 6.583 14.911 3.018 729 HA SER 101 HA SER 101 4.777 16.661 1.932 730 HB2 SER 101 HB2 SER 101 7.016 17.204 2.861 731 HB3 SER 101 HB3 SER 101 7.722 16.646 1.346 732 HG SER 101 HG SER 101 5.886 18.787 1.679 733 H GLY 102 H GLY 102 6.965 14.571 0.077 734 HA2 GLY 102 HA2 GLY 102 5.877 15.636 -2.406 735 HA3 GLY 102 HA3 GLY 102 7.287 14.611 -2.241 736 H ALA 103 H ALA 103 4.471 13.533 -0.553 737 HA ALA 103 HA ALA 103 4.097 11.319 -2.337 738 HB1 ALA 103 HB1 ALA 103 2.417 12.170 0.010 739 HB2 ALA 103 HB2 ALA 103 3.806 11.087 0.090 740 HB3 ALA 103 HB3 ALA 103 2.363 10.608 -0.807 741 H THR 104 H THR 104 3.492 12.077 -4.289 742 HA THR 104 HA THR 104 1.070 13.649 -4.595 743 HB THR 104 HB THR 104 2.610 12.353 -6.846 744 HG1 THR 104 HG1 THR 104 3.372 14.486 -5.180 745 HG21 THR 104 HG21 THR 104 0.506 13.482 -7.410 746 HG22 THR 104 HG22 THR 104 1.886 14.354 -8.081 747 HG23 THR 104 HG23 THR 104 1.084 14.955 -6.631 748 H ILE 105 H ILE 105 -0.268 12.156 -3.549 749 HA ILE 105 HA ILE 105 -1.729 10.239 -4.828 750 HB ILE 105 HB ILE 105 0.698 9.178 -4.850 751 HG12 ILE 105 HG12 ILE 105 -1.366 8.051 -5.686 752 HG13 ILE 105 HG13 ILE 105 -0.144 6.961 -5.064 753 HG21 ILE 105 HG21 ILE 105 -0.165 8.379 -2.092 754 HG22 ILE 105 HG22 ILE 105 1.245 9.332 -2.548 755 HG23 ILE 105 HG23 ILE 105 1.154 7.629 -2.996 756 HD11 ILE 105 HD11 ILE 105 -2.393 6.255 -4.492 757 HD12 ILE 105 HD12 ILE 105 -2.663 7.777 -3.640 758 HD13 ILE 105 HD13 ILE 105 -1.455 6.636 -3.047 759 H LYS 106 H LYS 106 -3.361 9.457 -3.371 760 HA LYS 106 HA LYS 106 -3.288 10.536 -0.709 761 HB2 LYS 106 HB2 LYS 106 -5.509 9.009 -0.609 762 HB3 LYS 106 HB3 LYS 106 -5.467 10.661 -1.197 763 HG2 LYS 106 HG2 LYS 106 -6.616 9.721 -2.889 764 HG3 LYS 106 HG3 LYS 106 -4.989 9.421 -3.495 765 HD2 LYS 106 HD2 LYS 106 -5.052 7.159 -2.774 766 HD3 LYS 106 HD3 LYS 106 -6.535 7.431 -1.850 767 HE2 LYS 106 HE2 LYS 106 -6.255 7.567 -4.855 768 HE3 LYS 106 HE3 LYS 106 -7.020 6.269 -3.941 769 HZ1 LYS 106 HZ1 LYS 106 -8.627 7.854 -4.887 770 HZ2 LYS 106 HZ2 LYS 106 -7.949 9.094 -3.953 771 HZ3 LYS 106 HZ3 LYS 106 -8.711 7.787 -3.198 772 H VAL 107 H VAL 107 -2.195 9.755 0.733 773 HA VAL 107 HA VAL 107 -0.977 7.180 0.743 774 HB VAL 107 HB VAL 107 -0.929 9.550 2.633 775 HG11 VAL 107 HG11 VAL 107 -0.333 7.567 3.926 776 HG12 VAL 107 HG12 VAL 107 1.063 8.616 3.668 777 HG13 VAL 107 HG13 VAL 107 0.877 7.143 2.714 778 HG21 VAL 107 HG21 VAL 107 1.259 9.942 1.677 779 HG22 VAL 107 HG22 VAL 107 0.015 9.906 0.424 780 HG23 VAL 107 HG23 VAL 107 1.077 8.513 0.658 781 H LYS 108 H LYS 108 -3.949 8.297 1.912 782 HA LYS 108 HA LYS 108 -4.203 7.004 4.369 783 HB2 LYS 108 HB2 LYS 108 -6.588 7.365 4.163 784 HB3 LYS 108 HB3 LYS 108 -5.703 8.781 3.639 785 HG2 LYS 108 HG2 LYS 108 -7.267 8.718 2.005 786 HG3 LYS 108 HG3 LYS 108 -6.074 7.657 1.256 787 HD2 LYS 108 HD2 LYS 108 -8.298 6.683 1.091 788 HD3 LYS 108 HD3 LYS 108 -7.273 5.703 2.140 789 HE2 LYS 108 HE2 LYS 108 -8.313 7.040 4.072 790 HE3 LYS 108 HE3 LYS 108 -9.527 7.537 2.892 791 HZ1 LYS 108 HZ1 LYS 108 -10.341 5.638 4.025 792 HZ2 LYS 108 HZ2 LYS 108 -8.906 4.776 3.780 793 HZ3 LYS 108 HZ3 LYS 108 -9.918 5.132 2.463 794 H LYS 109 H LYS 109 -4.525 5.742 1.140 795 HA LYS 109 HA LYS 109 -5.856 3.317 1.706 796 HB2 LYS 109 HB2 LYS 109 -5.511 4.405 -0.542 797 HB3 LYS 109 HB3 LYS 109 -3.839 3.872 -0.472 798 HG2 LYS 109 HG2 LYS 109 -4.722 2.172 -1.696 799 HG3 LYS 109 HG3 LYS 109 -4.971 1.526 -0.077 800 HD2 LYS 109 HD2 LYS 109 -6.977 1.242 -1.402 801 HD3 LYS 109 HD3 LYS 109 -7.273 2.390 -0.096 802 HE2 LYS 109 HE2 LYS 109 -8.260 3.102 -2.249 803 HE3 LYS 109 HE3 LYS 109 -7.084 4.251 -1.624 804 HZ1 LYS 109 HZ1 LYS 109 -6.454 2.212 -3.692 805 HZ2 LYS 109 HZ2 LYS 109 -5.487 3.514 -3.212 806 HZ3 LYS 109 HZ3 LYS 109 -6.927 3.798 -4.057 807 H PHE 110 H PHE 110 -2.462 4.244 1.644 808 HA PHE 110 HA PHE 110 -1.314 1.685 1.804 809 HB2 PHE 110 HB2 PHE 110 -0.036 3.568 1.022 810 HB3 PHE 110 HB3 PHE 110 -0.270 4.425 2.538 811 HD1 PHE 110 HD1 PHE 110 1.310 1.386 1.097 812 HD2 PHE 110 HD2 PHE 110 1.268 4.284 4.199 813 HE1 PHE 110 HE1 PHE 110 3.411 0.464 1.988 814 HE2 PHE 110 HE2 PHE 110 3.350 3.370 5.098 815 HZ PHE 110 HZ PHE 110 4.418 1.458 4.010 816 H PHE 111 H PHE 111 -1.904 4.123 4.333 817 HA PHE 111 HA PHE 111 -0.949 2.424 6.415 818 HB2 PHE 111 HB2 PHE 111 -2.323 5.087 6.378 819 HB3 PHE 111 HB3 PHE 111 -2.078 4.227 7.897 820 HD1 PHE 111 HD2 PHE 111 -0.386 5.915 5.095 821 HD2 PHE 111 HD1 PHE 111 0.109 4.021 8.864 822 HE1 PHE 111 HE2 PHE 111 1.905 6.797 5.239 823 HE2 PHE 111 HE1 PHE 111 2.397 4.904 9.014 824 HZ PHE 111 HZ PHE 111 3.300 6.294 7.199 825 H ASP 112 H ASP 112 -4.109 2.988 5.012 826 HA ASP 112 HA ASP 112 -5.729 1.720 6.928 827 HB2 ASP 112 HB2 ASP 112 -5.984 2.553 4.168 828 HB3 ASP 112 HB3 ASP 112 -6.754 0.991 4.408 829 H LEU 113 H LEU 113 -4.031 0.423 4.101 830 HA LEU 113 HA LEU 113 -4.941 -2.254 4.538 831 HB2 LEU 113 HB2 LEU 113 -3.285 -0.859 2.534 832 HB3 LEU 113 HB3 LEU 113 -2.968 -2.569 2.744 833 HG LEU 113 HG LEU 113 -4.494 -2.294 0.925 834 HD11 LEU 113 HD11 LEU 113 -4.812 -4.213 2.372 835 HD12 LEU 113 HD12 LEU 113 -6.354 -3.657 1.720 836 HD13 LEU 113 HD13 LEU 113 -5.915 -3.283 3.389 837 HD21 LEU 113 HD21 LEU 113 -5.432 -0.117 1.449 838 HD22 LEU 113 HD22 LEU 113 -6.285 -0.797 2.837 839 HD23 LEU 113 HD23 LEU 113 -6.716 -1.302 1.202 840 H ALA 114 H ALA 114 -2.057 -0.469 5.363 841 HA ALA 114 HA ALA 114 -0.435 -2.645 6.099 842 HB1 ALA 114 HB1 ALA 114 0.869 -1.024 7.339 843 HB2 ALA 114 HB2 ALA 114 -0.446 0.144 7.221 844 HB3 ALA 114 HB3 ALA 114 0.404 -0.378 5.766 845 H GLN 115 H GLN 115 -2.920 -0.865 7.872 846 HA GLN 115 HA GLN 115 -2.548 -2.130 10.402 847 HB2 GLN 115 HB2 GLN 115 -4.854 -0.670 9.142 848 HB3 GLN 115 HB3 GLN 115 -4.991 -1.396 10.738 849 HG2 GLN 115 HG2 GLN 115 -3.224 -0.009 11.572 850 HG3 GLN 115 HG3 GLN 115 -2.923 0.643 9.964 851 HE21 GLN 115 HE21 GLN 115 -4.264 2.199 9.138 852 HE22 GLN 115 HE22 GLN 115 -5.478 2.997 10.079 853 H LYS 116 H LYS 116 -4.352 -2.924 7.521 854 HA LYS 116 HA LYS 116 -5.858 -5.087 8.636 855 HB2 LYS 116 HB2 LYS 116 -5.324 -4.240 5.784 856 HB3 LYS 116 HB3 LYS 116 -6.441 -5.523 6.245 857 HG2 LYS 116 HG2 LYS 116 -7.910 -4.028 7.295 858 HG3 LYS 116 HG3 LYS 116 -6.704 -2.742 7.344 859 HD2 LYS 116 HD2 LYS 116 -8.212 -2.131 5.649 860 HD3 LYS 116 HD3 LYS 116 -6.795 -2.756 4.809 861 HE2 LYS 116 HE2 LYS 116 -8.693 -3.636 3.702 862 HE3 LYS 116 HE3 LYS 116 -8.005 -4.958 4.642 863 HZ1 LYS 116 HZ1 LYS 116 -9.688 -4.647 6.306 864 HZ2 LYS 116 HZ2 LYS 116 -10.432 -4.830 4.797 865 HZ3 LYS 116 HZ3 LYS 116 -10.310 -3.296 5.498 866 H ALA 117 H ALA 117 -2.722 -4.743 7.182 867 HA ALA 117 HA ALA 117 -2.294 -7.478 6.521 868 HB1 ALA 117 HB1 ALA 117 -0.290 -5.291 7.000 869 HB2 ALA 117 HB2 ALA 117 -1.068 -5.653 5.460 870 HB3 ALA 117 HB3 ALA 117 0.020 -6.832 6.196 871 H LEU 118 H LEU 118 -1.590 -5.500 9.344 872 HA LEU 118 HA LEU 118 -0.233 -7.766 10.649 873 HB2 LEU 118 HB2 LEU 118 -0.313 -4.846 11.397 874 HB3 LEU 118 HB3 LEU 118 0.670 -6.080 12.161 875 HG LEU 118 HG LEU 118 1.052 -5.760 9.254 876 HD11 LEU 118 HD11 LEU 118 0.746 -3.466 9.937 877 HD12 LEU 118 HD12 LEU 118 2.440 -3.782 9.542 878 HD13 LEU 118 HD13 LEU 118 1.931 -3.671 11.231 879 HD21 LEU 118 HD21 LEU 118 2.909 -5.995 11.616 880 HD22 LEU 118 HD22 LEU 118 3.391 -6.018 9.919 881 HD23 LEU 118 HD23 LEU 118 2.383 -7.313 10.567 882 H LYS 119 H LYS 119 -3.243 -7.158 10.406 883 HA LYS 119 HA LYS 119 -4.301 -6.200 12.798 884 HB2 LYS 119 HB2 LYS 119 -6.433 -7.225 12.093 885 HB3 LYS 119 HB3 LYS 119 -5.636 -6.345 10.797 886 HG2 LYS 119 HG2 LYS 119 -5.088 -8.286 9.643 887 HG3 LYS 119 HG3 LYS 119 -5.307 -9.311 11.060 888 HD2 LYS 119 HD2 LYS 119 -7.131 -9.693 9.570 889 HD3 LYS 119 HD3 LYS 119 -7.745 -8.799 10.959 890 HE2 LYS 119 HE2 LYS 119 -7.698 -6.738 9.679 891 HE3 LYS 119 HE3 LYS 119 -6.997 -7.590 8.303 892 HZ1 LYS 119 HZ1 LYS 119 -8.991 -8.917 8.143 893 HZ2 LYS 119 HZ2 LYS 119 -9.375 -7.269 8.044 894 HZ3 LYS 119 HZ3 LYS 119 -9.668 -8.123 9.476 895 H ASP 120 H ASP 120 -3.607 -9.578 11.946 896 HA ASP 120 HA ASP 120 -4.501 -10.457 14.581 897 HB2 ASP 120 HB2 ASP 120 -3.400 -12.092 12.279 898 HB3 ASP 120 HB3 ASP 120 -4.137 -12.733 13.742 899 H ALA 121 H ALA 121 -1.681 -9.509 13.001 900 HA ALA 121 HA ALA 121 0.526 -9.981 12.994 901 HB1 ALA 121 HB1 ALA 121 0.333 -8.655 14.991 902 HB2 ALA 121 HB2 ALA 121 1.622 -9.853 15.151 903 HB3 ALA 121 HB3 ALA 121 0.069 -10.108 15.960 904 H GLU 122 H GLU 122 -1.275 -12.394 12.937 905 HA GLU 122 HA GLU 122 0.849 -14.380 13.401 906 HB2 GLU 122 HB2 GLU 122 -2.150 -14.712 13.643 907 HB3 GLU 122 HB3 GLU 122 -1.024 -16.061 13.583 908 HG2 GLU 122 HG2 GLU 122 0.076 -15.152 15.612 909 HG3 GLU 122 HG3 GLU 122 -1.200 -13.935 15.692 910 H LYS 123 H LYS 123 -0.184 -12.585 11.155 911 HA LYS 123 HA LYS 123 -0.941 -14.532 9.149 912 HB2 LYS 123 HB2 LYS 123 -0.663 -11.534 9.109 913 HB3 LYS 123 HB3 LYS 123 -1.006 -12.481 7.668 914 HG2 LYS 123 HG2 LYS 123 -3.073 -13.269 8.620 915 HG3 LYS 123 HG3 LYS 123 -2.720 -12.460 10.143 916 HD2 LYS 123 HD2 LYS 123 -4.300 -11.117 8.967 917 HD3 LYS 123 HD3 LYS 123 -2.753 -10.282 8.903 918 HE2 LYS 123 HE2 LYS 123 -3.697 -12.046 6.657 919 HE3 LYS 123 HE3 LYS 123 -4.181 -10.357 6.773 920 HZ1 LYS 123 HZ1 LYS 123 -1.446 -11.445 6.435 921 HZ2 LYS 123 HZ2 LYS 123 -1.750 -9.834 6.854 922 HZ3 LYS 123 HZ3 LYS 123 -2.307 -10.440 5.375 923 H LEU 124 H LEU 124 0.936 -15.749 9.052 924 HA LEU 124 HA LEU 124 3.326 -14.387 8.078 925 HB2 LEU 124 HB2 LEU 124 2.923 -17.182 9.147 926 HB3 LEU 124 HB3 LEU 124 4.401 -16.673 8.366 927 HG LEU 124 HG LEU 124 4.944 -16.507 10.598 928 HD11 LEU 124 HD11 LEU 124 5.051 -14.148 11.223 929 HD12 LEU 124 HD12 LEU 124 3.903 -13.768 9.939 930 HD13 LEU 124 HD13 LEU 124 5.491 -14.419 9.535 931 HD21 LEU 124 HD21 LEU 124 2.785 -16.998 11.544 932 HD22 LEU 124 HD22 LEU 124 2.221 -15.368 11.170 933 HD23 LEU 124 HD23 LEU 124 3.505 -15.608 12.356 934 H GLU 125 H GLU 125 2.936 -13.973 6.023 935 HA GLU 125 HA GLU 125 2.233 -16.165 4.200 936 HB2 GLU 125 HB2 GLU 125 2.279 -13.158 3.878 937 HB3 GLU 125 HB3 GLU 125 2.146 -14.232 2.500 938 HG2 GLU 125 HG2 GLU 125 -0.031 -13.603 2.911 939 HG3 GLU 125 HG3 GLU 125 0.081 -15.176 3.695 940 H HIS 126 H HIS 126 4.918 -15.855 5.501 941 HA HIS 126 HA HIS 126 6.583 -14.820 3.380 942 HB2 HIS 126 HB2 HIS 126 8.529 -15.213 4.836 943 HB3 HIS 126 HB3 HIS 126 7.307 -14.217 5.597 944 HD1 HIS 126 HD1 HIS 126 9.223 -17.346 6.004 945 HD2 HIS 126 HD2 HIS 126 5.990 -15.459 7.802 946 HE1 HIS 126 HE1 HIS 126 8.948 -18.456 8.241 947 HE2 HIS 126 HE2 HIS 126 7.083 -17.211 9.374 948 H HIS 127 H HIS 127 6.807 -15.996 1.672 949 HA HIS 127 HA HIS 127 7.449 -18.832 1.949 950 HB2 HIS 127 HB2 HIS 127 6.992 -19.080 -0.368 951 HB3 HIS 127 HB3 HIS 127 5.755 -17.993 0.226 952 HD1 HIS 127 HD1 HIS 127 5.996 -15.435 -0.525 953 HD2 HIS 127 HD2 HIS 127 8.520 -18.129 -2.432 954 HE1 HIS 127 HE1 HIS 127 6.926 -14.202 -2.511 955 HE2 HIS 127 HE2 HIS 127 8.276 -15.917 -3.754 956 H HIS 128 H HIS 128 8.806 -15.790 1.543 957 HA HIS 128 HA HIS 128 11.493 -16.689 1.737 958 HB2 HIS 128 HB2 HIS 128 11.067 -16.921 -0.736 959 HB3 HIS 128 HB3 HIS 128 10.690 -15.207 -0.801 960 HD1 HIS 128 HD1 HIS 128 13.591 -17.567 -0.313 961 HD2 HIS 128 HD2 HIS 128 12.869 -13.543 -1.033 962 HE1 HIS 128 HE1 HIS 128 15.822 -16.573 -0.900 963 HE2 HIS 128 HE2 HIS 128 15.312 -14.194 -1.549 964 H HIS 129 H HIS 129 10.538 -13.743 0.118 965 HA HIS 129 HA HIS 129 10.052 -12.063 2.348 966 HB2 HIS 129 HB2 HIS 129 12.847 -12.181 1.283 967 HB3 HIS 129 HB3 HIS 129 12.183 -10.586 1.591 968 HD1 HIS 129 HD1 HIS 129 14.192 -12.986 3.190 969 HD2 HIS 129 HD2 HIS 129 11.016 -10.623 4.446 970 HE1 HIS 129 HE1 HIS 129 14.370 -12.892 5.693 971 HE2 HIS 129 HE2 HIS 129 12.292 -11.683 6.430 972 H HIS 130 H HIS 130 10.374 -9.615 1.321 973 HA HIS 130 HA HIS 130 9.492 -9.775 -1.490 974 HB2 HIS 130 HB2 HIS 130 8.266 -8.324 0.791 975 HB3 HIS 130 HB3 HIS 130 8.296 -7.486 -0.758 976 HD1 HIS 130 HD1 HIS 130 6.241 -7.854 -2.073 977 HD2 HIS 130 HD2 HIS 130 7.109 -11.116 0.354 978 HE1 HIS 130 HE1 HIS 130 4.372 -9.491 -2.448 979 HE2 HIS 130 HE2 HIS 130 4.798 -11.327 -0.786 980 H HIS 131 H HIS 131 11.514 -8.274 0.846 981 HA HIS 131 HA HIS 131 12.824 -6.746 -1.303 982 HB2 HIS 131 HB2 HIS 131 11.512 -5.199 0.106 983 HB3 HIS 131 HB3 HIS 131 12.337 -5.791 1.539 984 HD1 HIS 131 HD1 HIS 131 14.386 -4.558 2.216 985 HD2 HIS 131 HD2 HIS 131 13.297 -3.750 -1.712 986 HE1 HIS 131 HE1 HIS 131 15.948 -2.749 1.446 987 HE2 HIS 131 HE2 HIS 131 15.384 -2.400 -0.982 Start of MODEL 15 1 H1 MET 1 H1 MET 1 4.492 -7.564 16.258 2 H2 MET 1 H2 MET 1 3.521 -8.779 16.923 3 H3 MET 1 H3 MET 1 2.821 -7.547 15.997 4 HA MET 1 HA MET 1 2.970 -9.608 14.754 5 HB2 MET 1 HB2 MET 1 4.946 -7.563 13.715 6 HB3 MET 1 HB3 MET 1 4.073 -8.756 12.766 7 HG2 MET 1 HG2 MET 1 2.809 -6.938 12.329 8 HG3 MET 1 HG3 MET 1 1.981 -7.513 13.774 9 HE1 MET 1 HE1 MET 1 4.464 -4.893 12.264 10 HE2 MET 1 HE2 MET 1 5.472 -5.685 13.474 11 HE3 MET 1 HE3 MET 1 4.982 -4.003 13.696 12 H LYS 2 H LYS 2 4.243 -11.262 13.884 13 HA LYS 2 HA LYS 2 6.891 -11.582 15.114 14 HB2 LYS 2 HB2 LYS 2 5.027 -13.613 13.871 15 HB3 LYS 2 HB3 LYS 2 6.643 -13.979 14.466 16 HG2 LYS 2 HG2 LYS 2 5.892 -13.106 16.701 17 HG3 LYS 2 HG3 LYS 2 4.253 -13.089 16.046 18 HD2 LYS 2 HD2 LYS 2 4.329 -15.457 15.661 19 HD3 LYS 2 HD3 LYS 2 6.034 -15.514 16.116 20 HE2 LYS 2 HE2 LYS 2 3.739 -14.767 17.924 21 HE3 LYS 2 HE3 LYS 2 4.607 -16.302 17.934 22 HZ1 LYS 2 HZ1 LYS 2 5.408 -14.844 19.676 23 HZ2 LYS 2 HZ2 LYS 2 5.775 -13.638 18.547 24 HZ3 LYS 2 HZ3 LYS 2 6.630 -15.099 18.529 25 H ASP 3 H ASP 3 8.282 -13.138 13.476 26 HA ASP 3 HA ASP 3 8.724 -11.462 11.213 27 HB2 ASP 3 HB2 ASP 3 10.622 -12.751 10.691 28 HB3 ASP 3 HB3 ASP 3 10.552 -12.726 12.443 29 H GLY 4 H GLY 4 7.784 -11.467 9.424 30 HA2 GLY 4 HA2 GLY 4 7.018 -13.471 7.730 31 HA3 GLY 4 HA3 GLY 4 5.652 -13.260 8.829 32 H THR 5 H THR 5 5.728 -12.672 5.994 33 HA THR 5 HA THR 5 5.720 -9.753 5.967 34 HB THR 5 HB THR 5 5.323 -11.442 3.527 35 HG1 THR 5 HG1 THR 5 7.531 -11.690 3.327 36 HG21 THR 5 HG21 THR 5 6.485 -9.584 2.456 37 HG22 THR 5 HG22 THR 5 6.708 -8.811 4.025 38 HG23 THR 5 HG23 THR 5 5.084 -9.012 3.368 39 H TYR 6 H TYR 6 3.889 -8.818 6.326 40 HA TYR 6 HA TYR 6 1.401 -10.357 6.075 41 HB2 TYR 6 HB2 TYR 6 2.044 -7.919 7.748 42 HB3 TYR 6 HB3 TYR 6 0.520 -8.802 7.777 43 HD1 TYR 6 HD1 TYR 6 1.016 -11.488 8.107 44 HD2 TYR 6 HD2 TYR 6 3.392 -8.283 9.555 45 HE1 TYR 6 HE1 TYR 6 1.922 -12.955 9.842 46 HE2 TYR 6 HE2 TYR 6 4.316 -9.747 11.296 47 HH TYR 6 HH TYR 6 4.002 -13.089 11.240 48 H TYR 7 H TYR 7 0.308 -9.850 4.264 49 HA TYR 7 HA TYR 7 0.364 -7.048 3.412 50 HB2 TYR 7 HB2 TYR 7 0.121 -7.704 1.213 51 HB3 TYR 7 HB3 TYR 7 0.988 -9.094 1.842 52 HD1 TYR 7 HD2 TYR 7 -0.340 -11.189 2.390 53 HD2 TYR 7 HD1 TYR 7 -1.992 -7.914 0.249 54 HE1 TYR 7 HE2 TYR 7 -2.170 -12.630 1.612 55 HE2 TYR 7 HE1 TYR 7 -3.823 -9.324 -0.534 56 HH TYR 7 HH TYR 7 -4.426 -11.597 -0.812 57 H ALA 8 H ALA 8 -1.633 -6.067 2.755 58 HA ALA 8 HA ALA 8 -4.073 -7.590 3.248 59 HB1 ALA 8 HB1 ALA 8 -3.772 -6.209 5.234 60 HB2 ALA 8 HB2 ALA 8 -5.163 -5.680 4.284 61 HB3 ALA 8 HB3 ALA 8 -3.651 -4.775 4.215 62 H GLU 9 H GLU 9 -5.728 -7.060 1.868 63 HA GLU 9 HA GLU 9 -4.909 -5.377 -0.396 64 HB2 GLU 9 HB2 GLU 9 -6.446 -6.836 -1.740 65 HB3 GLU 9 HB3 GLU 9 -5.046 -7.665 -1.078 66 HG2 GLU 9 HG2 GLU 9 -6.462 -8.522 0.751 67 HG3 GLU 9 HG3 GLU 9 -7.857 -7.764 -0.020 68 H ALA 10 H ALA 10 -6.416 -4.053 -1.372 69 HA ALA 10 HA ALA 10 -8.394 -2.851 0.210 70 HB1 ALA 10 HB1 ALA 10 -8.039 -2.811 -2.787 71 HB2 ALA 10 HB2 ALA 10 -7.313 -1.694 -1.629 72 HB3 ALA 10 HB3 ALA 10 -9.061 -1.711 -1.861 73 H ASP 11 H ASP 11 -10.649 -3.005 0.155 74 HA ASP 11 HA ASP 11 -11.676 -5.605 -0.027 75 HB2 ASP 11 HB2 ASP 11 -13.166 -2.974 0.085 76 HB3 ASP 11 HB3 ASP 11 -13.918 -4.550 0.302 77 H ASP 12 H ASP 12 -12.374 -2.824 -2.118 78 HA ASP 12 HA ASP 12 -12.950 -4.736 -4.276 79 HB2 ASP 12 HB2 ASP 12 -14.552 -3.152 -5.214 80 HB3 ASP 12 HB3 ASP 12 -15.005 -3.580 -3.570 81 H PHE 13 H PHE 13 -12.789 -3.452 -6.470 82 HA PHE 13 HA PHE 13 -10.035 -2.637 -6.666 83 HB2 PHE 13 HB2 PHE 13 -12.187 -2.795 -8.789 84 HB3 PHE 13 HB3 PHE 13 -10.474 -2.531 -9.095 85 HD1 PHE 13 HD1 PHE 13 -8.848 -4.336 -8.535 86 HD2 PHE 13 HD2 PHE 13 -13.054 -4.969 -8.485 87 HE1 PHE 13 HE1 PHE 13 -8.480 -6.759 -8.665 88 HE2 PHE 13 HE2 PHE 13 -12.692 -7.398 -8.619 89 HZ PHE 13 HZ PHE 13 -10.400 -8.297 -8.708 90 H ASP 14 H ASP 14 -9.323 -0.645 -6.452 91 HA ASP 14 HA ASP 14 -11.315 1.523 -6.421 92 HB2 ASP 14 HB2 ASP 14 -9.561 0.822 -4.484 93 HB3 ASP 14 HB3 ASP 14 -8.593 1.995 -5.362 94 H GLU 15 H GLU 15 -10.656 3.541 -7.137 95 HA GLU 15 HA GLU 15 -10.418 4.897 -8.919 96 HB2 GLU 15 HB2 GLU 15 -7.560 4.203 -8.315 97 HB3 GLU 15 HB3 GLU 15 -8.092 5.625 -9.199 98 HG2 GLU 15 HG2 GLU 15 -8.822 4.989 -6.346 99 HG3 GLU 15 HG3 GLU 15 -7.547 6.091 -6.849 100 H SER 16 H SER 16 -7.643 2.996 -9.833 101 HA SER 16 HA SER 16 -8.612 3.089 -12.597 102 HB2 SER 16 HB2 SER 16 -6.132 2.486 -13.055 103 HB3 SER 16 HB3 SER 16 -6.508 4.108 -12.472 104 HG SER 16 HG SER 16 -4.775 2.617 -11.413 105 H GLY 17 H GLY 17 -9.294 1.060 -10.442 106 HA2 GLY 17 HA2 GLY 17 -10.135 -1.083 -10.708 107 HA3 GLY 17 HA3 GLY 17 -9.330 -1.184 -12.265 108 H TRP 18 H TRP 18 -8.050 -0.554 -9.029 109 HA TRP 18 HA TRP 18 -6.610 -3.108 -9.164 110 HB2 TRP 18 HB2 TRP 18 -5.426 -0.447 -8.326 111 HB3 TRP 18 HB3 TRP 18 -4.630 -2.000 -8.123 112 HD1 TRP 18 HD1 TRP 18 -5.309 0.705 -10.649 113 HE1 TRP 18 HE1 TRP 18 -4.010 0.221 -12.807 114 HE3 TRP 18 HE3 TRP 18 -3.762 -4.064 -9.633 115 HZ2 TRP 18 HZ2 TRP 18 -2.522 -1.883 -13.936 116 HZ3 TRP 18 HZ3 TRP 18 -2.402 -5.233 -11.312 117 HH2 TRP 18 HH2 TRP 18 -1.799 -4.166 -13.418 118 H LYS 19 H LYS 19 -6.958 -4.312 -7.415 119 HA LYS 19 HA LYS 19 -7.916 -3.152 -4.936 120 HB2 LYS 19 HB2 LYS 19 -7.442 -5.877 -6.023 121 HB3 LYS 19 HB3 LYS 19 -7.208 -5.700 -4.296 122 HG2 LYS 19 HG2 LYS 19 -9.446 -5.132 -3.937 123 HG3 LYS 19 HG3 LYS 19 -9.717 -4.782 -5.646 124 HD2 LYS 19 HD2 LYS 19 -10.751 -6.887 -5.125 125 HD3 LYS 19 HD3 LYS 19 -9.348 -7.182 -6.147 126 HE2 LYS 19 HE2 LYS 19 -9.227 -8.849 -4.539 127 HE3 LYS 19 HE3 LYS 19 -8.100 -7.627 -3.956 128 HZ1 LYS 19 HZ1 LYS 19 -9.832 -6.820 -2.460 129 HZ2 LYS 19 HZ2 LYS 19 -9.461 -8.449 -2.169 130 HZ3 LYS 19 HZ3 LYS 19 -10.880 -8.038 -3.002 131 H ASP 20 H ASP 20 -6.306 -1.816 -4.168 132 HA ASP 20 HA ASP 20 -3.566 -2.477 -4.604 133 HB2 ASP 20 HB2 ASP 20 -4.924 -0.162 -3.263 134 HB3 ASP 20 HB3 ASP 20 -3.173 -0.356 -3.215 135 H THR 21 H THR 21 -2.126 -3.294 -3.343 136 HA THR 21 HA THR 21 -3.052 -4.240 -0.720 137 HB THR 21 HB THR 21 -1.816 -6.288 -0.979 138 HG1 THR 21 HG1 THR 21 -0.287 -4.944 -2.593 139 HG21 THR 21 HG21 THR 21 -2.835 -7.337 -2.943 140 HG22 THR 21 HG22 THR 21 -3.264 -5.747 -3.576 141 HG23 THR 21 HG23 THR 21 -3.996 -6.329 -2.080 142 H VAL 22 H VAL 22 -1.730 -4.011 0.966 143 HA VAL 22 HA VAL 22 0.870 -2.718 0.448 144 HB VAL 22 HB VAL 22 -1.006 -2.132 2.765 145 HG11 VAL 22 HG11 VAL 22 1.737 -1.016 2.182 146 HG12 VAL 22 HG12 VAL 22 1.326 -2.112 3.501 147 HG13 VAL 22 HG13 VAL 22 0.655 -0.481 3.470 148 HG21 VAL 22 HG21 VAL 22 -1.061 0.139 1.848 149 HG22 VAL 22 HG22 VAL 22 -1.662 -1.036 0.677 150 HG23 VAL 22 HG23 VAL 22 -0.035 -0.376 0.508 151 H THR 23 H THR 23 2.371 -4.087 0.812 152 HA THR 23 HA THR 23 1.926 -6.302 2.666 153 HB THR 23 HB THR 23 4.200 -6.090 0.707 154 HG1 THR 23 HG1 THR 23 2.832 -6.296 -0.894 155 HG21 THR 23 HG21 THR 23 4.249 -7.866 2.385 156 HG22 THR 23 HG22 THR 23 4.040 -8.526 0.760 157 HG23 THR 23 HG23 THR 23 2.658 -8.410 1.852 158 H ILE 24 H ILE 24 2.745 -5.964 4.636 159 HA ILE 24 HA ILE 24 5.065 -4.213 4.974 160 HB ILE 24 HB ILE 24 3.252 -5.338 7.114 161 HG12 ILE 24 HG12 ILE 24 2.005 -3.918 5.503 162 HG13 ILE 24 HG13 ILE 24 2.056 -3.233 7.125 163 HG21 ILE 24 HG21 ILE 24 4.179 -3.558 8.512 164 HG22 ILE 24 HG22 ILE 24 5.228 -3.063 7.184 165 HG23 ILE 24 HG23 ILE 24 5.436 -4.649 7.926 166 HD11 ILE 24 HD11 ILE 24 3.749 -2.381 4.782 167 HD12 ILE 24 HD12 ILE 24 3.812 -1.684 6.401 168 HD13 ILE 24 HD13 ILE 24 2.351 -1.522 5.426 169 H GLU 25 H GLU 25 6.996 -5.167 5.193 170 HA GLU 25 HA GLU 25 7.066 -8.022 5.777 171 HB2 GLU 25 HB2 GLU 25 8.223 -7.252 3.758 172 HB3 GLU 25 HB3 GLU 25 9.228 -6.186 4.730 173 HG2 GLU 25 HG2 GLU 25 10.257 -8.056 5.807 174 HG3 GLU 25 HG3 GLU 25 9.182 -9.183 4.987 175 H VAL 26 H VAL 26 7.170 -8.496 7.802 176 HA VAL 26 HA VAL 26 8.785 -6.890 9.640 177 HB VAL 26 HB VAL 26 6.757 -9.059 10.291 178 HG11 VAL 26 HG11 VAL 26 6.817 -8.120 12.559 179 HG12 VAL 26 HG12 VAL 26 8.115 -7.032 12.062 180 HG13 VAL 26 HG13 VAL 26 8.376 -8.780 12.065 181 HG21 VAL 26 HG21 VAL 26 5.635 -7.184 9.239 182 HG22 VAL 26 HG22 VAL 26 6.432 -6.058 10.339 183 HG23 VAL 26 HG23 VAL 26 5.265 -7.224 10.964 184 H LYS 27 H LYS 27 10.671 -7.620 10.283 185 HA LYS 27 HA LYS 27 11.202 -10.482 10.458 186 HB2 LYS 27 HB2 LYS 27 12.045 -9.763 8.242 187 HB3 LYS 27 HB3 LYS 27 13.011 -8.522 9.020 188 HG2 LYS 27 HG2 LYS 27 14.297 -10.260 10.171 189 HG3 LYS 27 HG3 LYS 27 13.335 -11.496 9.356 190 HD2 LYS 27 HD2 LYS 27 14.117 -10.640 7.186 191 HD3 LYS 27 HD3 LYS 27 15.103 -9.445 8.031 192 HE2 LYS 27 HE2 LYS 27 15.371 -12.435 8.311 193 HE3 LYS 27 HE3 LYS 27 16.403 -11.413 7.311 194 HZ1 LYS 27 HZ1 LYS 27 16.101 -11.139 10.253 195 HZ2 LYS 27 HZ2 LYS 27 17.182 -10.285 9.267 196 HZ3 LYS 27 HZ3 LYS 27 17.374 -11.953 9.493 197 H ASN 28 H ASN 28 12.411 -10.963 12.222 198 HA ASN 28 HA ASN 28 13.522 -10.785 14.191 199 HB2 ASN 28 HB2 ASN 28 14.399 -8.050 13.229 200 HB3 ASN 28 HB3 ASN 28 15.054 -8.900 14.616 201 HD21 ASN 28 HD21 ASN 28 16.277 -7.893 12.129 202 HD22 ASN 28 HD22 ASN 28 17.113 -9.253 11.457 203 H GLY 29 H GLY 29 10.749 -9.860 13.849 204 HA2 GLY 29 HA2 GLY 29 9.147 -9.171 15.367 205 HA3 GLY 29 HA3 GLY 29 10.424 -8.556 16.394 206 H LYS 30 H LYS 30 11.059 -7.155 13.489 207 HA LYS 30 HA LYS 30 9.215 -4.919 13.964 208 HB2 LYS 30 HB2 LYS 30 11.076 -3.315 13.776 209 HB3 LYS 30 HB3 LYS 30 11.248 -4.374 15.167 210 HG2 LYS 30 HG2 LYS 30 12.872 -5.735 13.889 211 HG3 LYS 30 HG3 LYS 30 12.740 -4.583 12.558 212 HD2 LYS 30 HD2 LYS 30 13.628 -3.911 15.363 213 HD3 LYS 30 HD3 LYS 30 14.710 -4.170 13.994 214 HE2 LYS 30 HE2 LYS 30 13.834 -2.246 12.858 215 HE3 LYS 30 HE3 LYS 30 12.553 -2.062 14.057 216 HZ1 LYS 30 HZ1 LYS 30 15.464 -1.727 14.549 217 HZ2 LYS 30 HZ2 LYS 30 14.246 -1.588 15.721 218 HZ3 LYS 30 HZ3 LYS 30 14.315 -0.482 14.440 219 H ILE 31 H ILE 31 9.223 -3.304 12.156 220 HA ILE 31 HA ILE 31 8.995 -4.680 9.646 221 HB ILE 31 HB ILE 31 8.785 -1.708 10.169 222 HG12 ILE 31 HG12 ILE 31 6.536 -3.728 10.057 223 HG13 ILE 31 HG13 ILE 31 7.217 -3.105 11.555 224 HG21 ILE 31 HG21 ILE 31 9.089 -2.244 7.817 225 HG22 ILE 31 HG22 ILE 31 7.450 -1.660 8.113 226 HG23 ILE 31 HG23 ILE 31 7.743 -3.384 7.887 227 HD11 ILE 31 HD11 ILE 31 6.504 -0.858 10.958 228 HD12 ILE 31 HD12 ILE 31 5.139 -1.977 10.955 229 HD13 ILE 31 HD13 ILE 31 5.861 -1.458 9.429 230 H VAL 32 H VAL 32 10.607 -5.019 8.273 231 HA VAL 32 HA VAL 32 12.943 -3.237 8.386 232 HB VAL 32 HB VAL 32 14.228 -5.057 7.300 233 HG11 VAL 32 HG11 VAL 32 14.286 -4.828 9.715 234 HG12 VAL 32 HG12 VAL 32 14.361 -6.529 9.258 235 HG13 VAL 32 HG13 VAL 32 12.854 -5.846 9.867 236 HG21 VAL 32 HG21 VAL 32 13.313 -7.329 7.198 237 HG22 VAL 32 HG22 VAL 32 12.403 -6.225 6.166 238 HG23 VAL 32 HG23 VAL 32 11.741 -6.720 7.723 239 H SER 33 H SER 33 10.305 -4.193 6.410 240 HA SER 33 HA SER 33 11.287 -2.705 4.135 241 HB2 SER 33 HB2 SER 33 12.406 -4.864 3.803 242 HB3 SER 33 HB3 SER 33 10.873 -5.709 3.970 243 HG SER 33 HG SER 33 11.114 -5.560 1.832 244 H VAL 34 H VAL 34 9.629 -2.714 2.371 245 HA VAL 34 HA VAL 34 6.985 -3.611 3.057 246 HB VAL 34 HB VAL 34 7.034 -1.495 4.260 247 HG11 VAL 34 HG11 VAL 34 8.747 -0.346 3.049 248 HG12 VAL 34 HG12 VAL 34 7.283 0.639 3.094 249 HG13 VAL 34 HG13 VAL 34 7.711 -0.245 1.627 250 HG21 VAL 34 HG21 VAL 34 5.334 -1.295 1.778 251 HG22 VAL 34 HG22 VAL 34 5.111 -0.348 3.250 252 HG23 VAL 34 HG23 VAL 34 4.900 -2.100 3.286 253 H ASP 35 H ASP 35 5.721 -3.890 1.324 254 HA ASP 35 HA ASP 35 6.847 -3.367 -1.342 255 HB2 ASP 35 HB2 ASP 35 7.079 -5.719 -0.890 256 HB3 ASP 35 HB3 ASP 35 5.455 -5.818 -0.232 257 H TRP 36 H TRP 36 5.478 -2.517 -2.827 258 HA TRP 36 HA TRP 36 2.642 -2.347 -2.105 259 HB2 TRP 36 HB2 TRP 36 2.756 -0.422 -3.952 260 HB3 TRP 36 HB3 TRP 36 3.056 -0.112 -2.250 261 HD1 TRP 36 HD1 TRP 36 5.502 0.569 -1.538 262 HE1 TRP 36 HE1 TRP 36 7.571 1.328 -2.860 263 HE3 TRP 36 HE3 TRP 36 3.997 -0.782 -6.238 264 HZ2 TRP 36 HZ2 TRP 36 8.451 1.349 -5.538 265 HZ3 TRP 36 HZ3 TRP 36 5.512 -0.355 -8.122 266 HH2 TRP 36 HH2 TRP 36 7.690 0.689 -7.778 267 H ASN 37 H ASN 37 1.208 -3.184 -3.384 268 HA ASN 37 HA ASN 37 1.822 -3.991 -6.111 269 HB2 ASN 37 HB2 ASN 37 2.488 -5.787 -4.236 270 HB3 ASN 37 HB3 ASN 37 0.764 -6.116 -4.269 271 HD21 ASN 37 HD21 ASN 37 2.979 -7.815 -4.936 272 HD22 ASN 37 HD22 ASN 37 2.752 -8.322 -6.570 273 H ALA 38 H ALA 38 -0.340 -5.200 -6.906 274 HA ALA 38 HA ALA 38 -2.722 -4.663 -5.398 275 HB1 ALA 38 HB1 ALA 38 -3.828 -3.278 -7.072 276 HB2 ALA 38 HB2 ALA 38 -2.345 -3.229 -8.026 277 HB3 ALA 38 HB3 ALA 38 -2.397 -2.470 -6.434 278 H ILE 39 H ILE 39 -4.665 -5.456 -6.620 279 HA ILE 39 HA ILE 39 -3.920 -7.655 -8.439 280 HB ILE 39 HB ILE 39 -6.515 -7.496 -6.882 281 HG12 ILE 39 HG12 ILE 39 -4.037 -9.026 -6.038 282 HG13 ILE 39 HG13 ILE 39 -4.487 -7.468 -5.354 283 HG21 ILE 39 HG21 ILE 39 -5.012 -9.781 -8.174 284 HG22 ILE 39 HG22 ILE 39 -6.481 -9.015 -8.788 285 HG23 ILE 39 HG23 ILE 39 -6.528 -9.932 -7.280 286 HD11 ILE 39 HD11 ILE 39 -6.564 -8.440 -4.521 287 HD12 ILE 39 HD12 ILE 39 -5.147 -9.291 -3.904 288 HD13 ILE 39 HD13 ILE 39 -6.106 -9.999 -5.205 289 H ASN 40 H ASN 40 -5.018 -7.837 -10.394 290 HA ASN 40 HA ASN 40 -5.952 -5.283 -11.375 291 HB2 ASN 40 HB2 ASN 40 -4.219 -6.611 -12.529 292 HB3 ASN 40 HB3 ASN 40 -5.418 -7.865 -12.846 293 HD21 ASN 40 HD21 ASN 40 -4.676 -4.486 -13.366 294 HD22 ASN 40 HD22 ASN 40 -5.475 -4.353 -14.893 295 H LYS 41 H LYS 41 -7.896 -4.782 -12.251 296 HA LYS 41 HA LYS 41 -10.184 -6.081 -11.182 297 HB2 LYS 41 HB2 LYS 41 -9.901 -3.613 -11.577 298 HB3 LYS 41 HB3 LYS 41 -10.141 -3.923 -13.289 299 HG2 LYS 41 HG2 LYS 41 -12.372 -4.761 -12.851 300 HG3 LYS 41 HG3 LYS 41 -12.131 -4.541 -11.118 301 HD2 LYS 41 HD2 LYS 41 -11.787 -2.113 -11.547 302 HD3 LYS 41 HD3 LYS 41 -12.231 -2.397 -13.231 303 HE2 LYS 41 HE2 LYS 41 -13.961 -2.911 -10.815 304 HE3 LYS 41 HE3 LYS 41 -14.141 -1.587 -11.963 305 HZ1 LYS 41 HZ1 LYS 41 -15.703 -3.354 -12.426 306 HZ2 LYS 41 HZ2 LYS 41 -14.444 -4.476 -12.583 307 HZ3 LYS 41 HZ3 LYS 41 -14.594 -3.212 -13.700 308 H ASP 42 H ASP 42 -8.745 -6.060 -14.377 309 HA ASP 42 HA ASP 42 -10.852 -7.233 -15.838 310 HB2 ASP 42 HB2 ASP 42 -9.181 -6.248 -17.132 311 HB3 ASP 42 HB3 ASP 42 -7.886 -6.970 -16.198 312 H GLY 43 H GLY 43 -8.311 -8.613 -13.842 313 HA2 GLY 43 HA2 GLY 43 -8.745 -10.613 -12.601 314 HA3 GLY 43 HA3 GLY 43 -9.756 -11.167 -13.926 315 H GLY 44 H GLY 44 -6.761 -9.707 -14.760 316 HA2 GLY 44 HA2 GLY 44 -5.733 -12.249 -15.704 317 HA3 GLY 44 HA3 GLY 44 -5.029 -10.664 -15.990 318 H ASP 45 H ASP 45 -3.282 -10.133 -14.887 319 HA ASP 45 HA ASP 45 -2.371 -11.969 -12.794 320 HB2 ASP 45 HB2 ASP 45 -0.828 -9.933 -14.437 321 HB3 ASP 45 HB3 ASP 45 -0.116 -11.008 -13.240 322 H ASP 46 H ASP 46 -0.512 -10.390 -11.523 323 HA ASP 46 HA ASP 46 -2.171 -8.400 -10.144 324 HB2 ASP 46 HB2 ASP 46 0.451 -9.709 -9.398 325 HB3 ASP 46 HB3 ASP 46 -0.278 -8.419 -8.456 326 H LYS 47 H LYS 47 -0.712 -6.472 -9.292 327 HA LYS 47 HA LYS 47 0.103 -4.893 -11.464 328 HB2 LYS 47 HB2 LYS 47 -0.691 -3.964 -9.365 329 HB3 LYS 47 HB3 LYS 47 0.694 -4.621 -8.512 330 HG2 LYS 47 HG2 LYS 47 2.172 -3.083 -9.551 331 HG3 LYS 47 HG3 LYS 47 0.933 -2.578 -10.702 332 HD2 LYS 47 HD2 LYS 47 0.621 -2.222 -7.731 333 HD3 LYS 47 HD3 LYS 47 1.389 -1.007 -8.753 334 HE2 LYS 47 HE2 LYS 47 -0.670 -0.890 -10.113 335 HE3 LYS 47 HE3 LYS 47 -1.431 -2.055 -9.032 336 HZ1 LYS 47 HZ1 LYS 47 -1.274 -0.483 -7.229 337 HZ2 LYS 47 HZ2 LYS 47 -2.034 0.263 -8.545 338 HZ3 LYS 47 HZ3 LYS 47 -0.415 0.611 -8.200 339 H ASP 48 H ASP 48 1.969 -6.827 -9.198 340 HA ASP 48 HA ASP 48 4.582 -6.330 -10.026 341 HB2 ASP 48 HB2 ASP 48 4.156 -7.567 -8.020 342 HB3 ASP 48 HB3 ASP 48 3.213 -8.770 -8.883 343 H THR 49 H THR 49 2.329 -8.828 -11.175 344 HA THR 49 HA THR 49 4.285 -9.933 -12.945 345 HB THR 49 HB THR 49 1.386 -10.698 -12.994 346 HG1 THR 49 HG1 THR 49 3.218 -10.871 -10.880 347 HG21 THR 49 HG21 THR 49 2.916 -11.845 -14.535 348 HG22 THR 49 HG22 THR 49 2.345 -12.955 -13.287 349 HG23 THR 49 HG23 THR 49 3.968 -12.272 -13.186 350 H LEU 50 H LEU 50 1.517 -7.774 -13.335 351 HA LEU 50 HA LEU 50 1.479 -7.877 -16.181 352 HB2 LEU 50 HB2 LEU 50 0.375 -5.855 -14.252 353 HB3 LEU 50 HB3 LEU 50 0.211 -5.700 -15.992 354 HG LEU 50 HG LEU 50 -0.885 -7.949 -14.301 355 HD11 LEU 50 HD11 LEU 50 -2.245 -5.721 -15.790 356 HD12 LEU 50 HD12 LEU 50 -2.066 -5.843 -14.039 357 HD13 LEU 50 HD13 LEU 50 -3.045 -7.025 -14.911 358 HD21 LEU 50 HD21 LEU 50 -0.213 -8.749 -16.512 359 HD22 LEU 50 HD22 LEU 50 -1.135 -7.447 -17.270 360 HD23 LEU 50 HD23 LEU 50 -1.971 -8.708 -16.359 361 H SER 51 H SER 51 3.246 -5.921 -13.864 362 HA SER 51 HA SER 51 4.432 -4.128 -15.705 363 HB2 SER 51 HB2 SER 51 4.393 -3.869 -13.203 364 HB3 SER 51 HB3 SER 51 5.609 -5.139 -13.104 365 HG SER 51 HG SER 51 5.872 -2.504 -13.773 366 H ARG 52 H ARG 52 5.115 -7.446 -14.831 367 HA ARG 52 HA ARG 52 7.680 -7.593 -16.136 368 HB2 ARG 52 HB2 ARG 52 6.488 -9.051 -14.199 369 HB3 ARG 52 HB3 ARG 52 6.076 -10.038 -15.587 370 HG2 ARG 52 HG2 ARG 52 8.882 -9.275 -14.792 371 HG3 ARG 52 HG3 ARG 52 8.094 -10.793 -14.383 372 HD2 ARG 52 HD2 ARG 52 8.753 -9.798 -17.153 373 HD3 ARG 52 HD3 ARG 52 9.582 -11.083 -16.280 374 HE ARG 52 HE ARG 52 7.014 -11.960 -16.386 375 HH11 ARG 52 HH11 ARG 52 9.220 -10.817 -18.862 376 HH12 ARG 52 HH12 ARG 52 8.530 -11.811 -20.112 377 HH21 ARG 52 HH21 ARG 52 6.097 -13.242 -18.050 378 HH22 ARG 52 HH22 ARG 52 6.763 -13.185 -19.649 379 H ASN 53 H ASN 53 4.322 -8.506 -16.908 380 HA ASN 53 HA ASN 53 5.067 -9.957 -19.287 381 HB2 ASN 53 HB2 ASN 53 2.349 -9.213 -18.184 382 HB3 ASN 53 HB3 ASN 53 2.593 -10.208 -19.609 383 HD21 ASN 53 HD21 ASN 53 1.206 -10.892 -17.213 384 HD22 ASN 53 HD22 ASN 53 2.022 -12.244 -16.512 385 H GLY 54 H GLY 54 4.208 -6.726 -18.561 386 HA2 GLY 54 HA2 GLY 54 4.378 -4.884 -19.981 387 HA3 GLY 54 HA3 GLY 54 4.467 -5.978 -21.353 388 H GLY 55 H GLY 55 1.996 -5.809 -18.837 389 HA2 GLY 55 HA2 GLY 55 0.065 -4.709 -20.724 390 HA3 GLY 55 HA3 GLY 55 -0.233 -6.348 -20.171 391 H TYR 56 H TYR 56 0.937 -3.441 -18.565 392 HA TYR 56 HA TYR 56 -0.503 -3.739 -16.171 393 HB2 TYR 56 HB2 TYR 56 1.573 -2.347 -16.776 394 HB3 TYR 56 HB3 TYR 56 0.446 -1.145 -17.373 395 HD1 TYR 56 HD2 TYR 56 1.722 -2.838 -14.386 396 HD2 TYR 56 HD1 TYR 56 -0.760 0.270 -15.876 397 HE1 TYR 56 HE2 TYR 56 1.687 -1.807 -12.159 398 HE2 TYR 56 HE1 TYR 56 -0.801 1.318 -13.656 399 HH TYR 56 HH TYR 56 -0.383 0.894 -11.395 400 H LYS 57 H LYS 57 -2.711 -4.047 -16.483 401 HA LYS 57 HA LYS 57 -4.190 -2.353 -18.289 402 HB2 LYS 57 HB2 LYS 57 -5.180 -4.581 -16.504 403 HB3 LYS 57 HB3 LYS 57 -6.113 -3.785 -17.761 404 HG2 LYS 57 HG2 LYS 57 -4.453 -4.618 -19.419 405 HG3 LYS 57 HG3 LYS 57 -3.695 -5.536 -18.116 406 HD2 LYS 57 HD2 LYS 57 -5.871 -6.664 -17.719 407 HD3 LYS 57 HD3 LYS 57 -6.523 -5.821 -19.125 408 HE2 LYS 57 HE2 LYS 57 -4.713 -6.870 -20.493 409 HE3 LYS 57 HE3 LYS 57 -4.265 -7.818 -19.075 410 HZ1 LYS 57 HZ1 LYS 57 -6.818 -7.917 -20.581 411 HZ2 LYS 57 HZ2 LYS 57 -6.613 -8.650 -19.066 412 HZ3 LYS 57 HZ3 LYS 57 -5.679 -9.160 -20.389 413 H MET 58 H MET 58 -4.411 -0.329 -17.489 414 HA MET 58 HA MET 58 -5.835 -0.053 -14.945 415 HB2 MET 58 HB2 MET 58 -4.826 2.093 -16.829 416 HB3 MET 58 HB3 MET 58 -5.608 2.377 -15.284 417 HG2 MET 58 HG2 MET 58 -3.786 1.296 -14.125 418 HG3 MET 58 HG3 MET 58 -3.001 0.929 -15.661 419 HE1 MET 58 HE1 MET 58 -2.055 4.507 -16.957 420 HE2 MET 58 HE2 MET 58 -3.499 3.568 -17.340 421 HE3 MET 58 HE3 MET 58 -1.927 2.773 -17.258 422 H VAL 59 H VAL 59 -8.011 0.214 -14.901 423 HA VAL 59 HA VAL 59 -9.475 0.300 -17.383 424 HB VAL 59 HB VAL 59 -11.492 0.155 -16.127 425 HG11 VAL 59 HG11 VAL 59 -11.114 -1.795 -14.695 426 HG12 VAL 59 HG12 VAL 59 -9.380 -1.480 -14.736 427 HG13 VAL 59 HG13 VAL 59 -10.233 -1.907 -16.219 428 HG21 VAL 59 HG21 VAL 59 -11.634 0.343 -13.695 429 HG22 VAL 59 HG22 VAL 59 -11.097 1.854 -14.431 430 HG23 VAL 59 HG23 VAL 59 -9.931 0.799 -13.630 431 H GLU 60 H GLU 60 -8.233 2.513 -15.136 432 HA GLU 60 HA GLU 60 -9.452 4.767 -16.565 433 HB2 GLU 60 HB2 GLU 60 -8.659 4.565 -13.647 434 HB3 GLU 60 HB3 GLU 60 -9.040 6.081 -14.447 435 HG2 GLU 60 HG2 GLU 60 -10.973 3.792 -14.312 436 HG3 GLU 60 HG3 GLU 60 -10.873 5.021 -13.058 437 H TYR 61 H TYR 61 -7.884 5.141 -17.998 438 HA TYR 61 HA TYR 61 -5.100 4.846 -17.420 439 HB2 TYR 61 HB2 TYR 61 -6.491 6.098 -19.792 440 HB3 TYR 61 HB3 TYR 61 -4.765 5.775 -19.696 441 HD1 TYR 61 HD1 TYR 61 -3.993 3.375 -19.517 442 HD2 TYR 61 HD2 TYR 61 -8.007 4.415 -20.459 443 HE1 TYR 61 HE1 TYR 61 -4.355 1.121 -20.422 444 HE2 TYR 61 HE2 TYR 61 -8.383 2.160 -21.365 445 HH TYR 61 HH TYR 61 -6.230 -0.415 -20.839 446 H GLY 62 H GLY 62 -7.381 7.442 -17.445 447 HA2 GLY 62 HA2 GLY 62 -5.403 9.532 -17.139 448 HA3 GLY 62 HA3 GLY 62 -7.150 9.717 -17.057 449 H GLY 63 H GLY 63 -6.885 7.292 -15.065 450 HA2 GLY 63 HA2 GLY 63 -6.441 8.987 -12.695 451 HA3 GLY 63 HA3 GLY 63 -7.477 7.566 -12.745 452 H ALA 64 H ALA 64 -4.177 8.014 -13.919 453 HA ALA 64 HA ALA 64 -3.327 5.517 -12.781 454 HB1 ALA 64 HB1 ALA 64 -2.567 6.270 -14.985 455 HB2 ALA 64 HB2 ALA 64 -1.215 5.977 -13.891 456 HB3 ALA 64 HB3 ALA 64 -1.737 7.628 -14.227 457 H GLN 65 H GLN 65 -3.129 8.867 -11.867 458 HA GLN 65 HA GLN 65 -0.796 8.532 -10.168 459 HB2 GLN 65 HB2 GLN 65 -2.521 10.861 -10.945 460 HB3 GLN 65 HB3 GLN 65 -1.459 10.991 -9.559 461 HG2 GLN 65 HG2 GLN 65 -0.446 11.972 -11.511 462 HG3 GLN 65 HG3 GLN 65 0.473 10.569 -10.988 463 HE21 GLN 65 HE21 GLN 65 0.691 8.851 -12.339 464 HE22 GLN 65 HE22 GLN 65 0.147 8.849 -13.982 465 H ALA 66 H ALA 66 -3.644 7.348 -9.641 466 HA ALA 66 HA ALA 66 -3.875 8.332 -6.877 467 HB1 ALA 66 HB1 ALA 66 -6.008 7.116 -8.623 468 HB2 ALA 66 HB2 ALA 66 -5.818 8.831 -8.263 469 HB3 ALA 66 HB3 ALA 66 -6.225 7.699 -6.973 470 H GLU 67 H GLU 67 -2.404 5.959 -8.374 471 HA GLU 67 HA GLU 67 -2.934 4.037 -6.231 472 HB2 GLU 67 HB2 GLU 67 -2.591 2.181 -7.939 473 HB3 GLU 67 HB3 GLU 67 -4.121 3.045 -8.017 474 HG2 GLU 67 HG2 GLU 67 -3.728 3.305 -10.181 475 HG3 GLU 67 HG3 GLU 67 -2.463 4.447 -9.730 476 H TRP 68 H TRP 68 -1.111 2.226 -6.359 477 HA TRP 68 HA TRP 68 1.318 3.763 -5.898 478 HB2 TRP 68 HB2 TRP 68 0.902 0.828 -5.333 479 HB3 TRP 68 HB3 TRP 68 2.066 1.917 -4.584 480 HD1 TRP 68 HD1 TRP 68 -1.133 0.335 -3.915 481 HE1 TRP 68 HE1 TRP 68 -2.412 1.521 -2.032 482 HE3 TRP 68 HE3 TRP 68 1.650 4.599 -3.640 483 HZ2 TRP 68 HZ2 TRP 68 -2.247 3.965 -0.622 484 HZ3 TRP 68 HZ3 TRP 68 1.032 6.302 -1.998 485 HH2 TRP 68 HH2 TRP 68 -0.872 5.993 -0.517 486 H HIS 69 H HIS 69 2.510 4.056 -7.768 487 HA HIS 69 HA HIS 69 3.774 1.598 -8.649 488 HB2 HIS 69 HB2 HIS 69 3.736 2.128 -11.041 489 HB3 HIS 69 HB3 HIS 69 2.125 1.884 -10.407 490 HD1 HIS 69 HD1 HIS 69 0.577 4.003 -10.279 491 HD2 HIS 69 HD2 HIS 69 4.200 4.550 -12.235 492 HE1 HIS 69 HE1 HIS 69 0.362 6.182 -11.514 493 HE2 HIS 69 HE2 HIS 69 2.474 6.376 -12.862 494 H GLU 70 H GLU 70 3.950 5.160 -8.740 495 HA GLU 70 HA GLU 70 6.884 4.830 -8.595 496 HB2 GLU 70 HB2 GLU 70 5.344 7.138 -9.809 497 HB3 GLU 70 HB3 GLU 70 7.079 7.128 -9.562 498 HG2 GLU 70 HG2 GLU 70 5.516 5.326 -11.396 499 HG3 GLU 70 HG3 GLU 70 6.548 6.675 -11.868 500 H GLN 71 H GLN 71 4.106 6.715 -7.599 501 HA GLN 71 HA GLN 71 5.494 8.580 -5.943 502 HB2 GLN 71 HB2 GLN 71 2.573 8.059 -5.570 503 HB3 GLN 71 HB3 GLN 71 3.433 9.587 -5.595 504 HG2 GLN 71 HG2 GLN 71 2.358 9.795 -7.568 505 HG3 GLN 71 HG3 GLN 71 3.755 8.892 -8.153 506 HE21 GLN 71 HE21 GLN 71 0.375 8.756 -7.382 507 HE22 GLN 71 HE22 GLN 71 0.054 7.219 -8.117 508 H ALA 72 H ALA 72 4.491 5.411 -5.467 509 HA ALA 72 HA ALA 72 3.832 5.385 -2.721 510 HB1 ALA 72 HB1 ALA 72 4.870 3.165 -4.468 511 HB2 ALA 72 HB2 ALA 72 3.177 3.622 -4.278 512 HB3 ALA 72 HB3 ALA 72 4.077 2.975 -2.905 513 H GLU 73 H GLU 73 6.875 5.416 -4.421 514 HA GLU 73 HA GLU 73 8.580 4.247 -2.525 515 HB2 GLU 73 HB2 GLU 73 9.180 4.739 -4.880 516 HB3 GLU 73 HB3 GLU 73 9.233 6.451 -4.487 517 HG2 GLU 73 HG2 GLU 73 10.986 5.864 -2.762 518 HG3 GLU 73 HG3 GLU 73 11.051 4.270 -3.516 519 H LYS 74 H LYS 74 7.291 7.528 -2.712 520 HA LYS 74 HA LYS 74 9.023 8.623 -0.721 521 HB2 LYS 74 HB2 LYS 74 6.310 9.548 -1.682 522 HB3 LYS 74 HB3 LYS 74 7.351 10.469 -0.611 523 HG2 LYS 74 HG2 LYS 74 8.107 9.642 -3.405 524 HG3 LYS 74 HG3 LYS 74 7.386 11.196 -2.993 525 HD2 LYS 74 HD2 LYS 74 9.593 11.782 -2.986 526 HD3 LYS 74 HD3 LYS 74 9.426 11.285 -1.306 527 HE2 LYS 74 HE2 LYS 74 11.456 10.348 -2.212 528 HE3 LYS 74 HE3 LYS 74 10.303 9.049 -1.920 529 HZ1 LYS 74 HZ1 LYS 74 10.942 10.288 -4.543 530 HZ2 LYS 74 HZ2 LYS 74 9.740 9.121 -4.300 531 HZ3 LYS 74 HZ3 LYS 74 11.367 8.727 -4.033 532 H VAL 75 H VAL 75 5.862 7.147 -0.714 533 HA VAL 75 HA VAL 75 5.156 7.809 1.963 534 HB VAL 75 HB VAL 75 3.917 5.601 0.328 535 HG11 VAL 75 HG11 VAL 75 3.120 5.820 2.591 536 HG12 VAL 75 HG12 VAL 75 1.869 6.313 1.449 537 HG13 VAL 75 HG13 VAL 75 2.787 7.532 2.333 538 HG21 VAL 75 HG21 VAL 75 4.097 7.513 -1.170 539 HG22 VAL 75 HG22 VAL 75 3.342 8.550 0.043 540 HG23 VAL 75 HG23 VAL 75 2.420 7.242 -0.696 541 H GLU 76 H GLU 76 6.533 4.971 0.394 542 HA GLU 76 HA GLU 76 6.212 3.157 2.536 543 HB2 GLU 76 HB2 GLU 76 7.758 1.700 1.301 544 HB3 GLU 76 HB3 GLU 76 6.493 2.347 0.269 545 HG2 GLU 76 HG2 GLU 76 7.935 3.555 -0.975 546 HG3 GLU 76 HG3 GLU 76 9.024 3.854 0.375 547 H ALA 77 H ALA 77 8.909 5.283 1.645 548 HA ALA 77 HA ALA 77 10.846 4.286 3.408 549 HB1 ALA 77 HB1 ALA 77 10.520 7.107 2.420 550 HB2 ALA 77 HB2 ALA 77 11.345 5.808 1.558 551 HB3 ALA 77 HB3 ALA 77 11.990 6.400 3.091 552 H TYR 78 H TYR 78 8.298 6.645 3.867 553 HA TYR 78 HA TYR 78 9.044 7.520 6.452 554 HB2 TYR 78 HB2 TYR 78 7.502 8.719 4.900 555 HB3 TYR 78 HB3 TYR 78 6.289 7.486 5.214 556 HD1 TYR 78 HD2 TYR 78 8.347 10.083 6.912 557 HD2 TYR 78 HD1 TYR 78 4.801 7.737 7.001 558 HE1 TYR 78 HE2 TYR 78 7.529 11.401 8.819 559 HE2 TYR 78 HE1 TYR 78 3.974 9.047 8.906 560 HH TYR 78 HH TYR 78 5.538 11.953 9.976 561 H LEU 79 H LEU 79 7.118 4.777 5.324 562 HA LEU 79 HA LEU 79 6.012 4.114 7.862 563 HB2 LEU 79 HB2 LEU 79 5.175 3.418 5.570 564 HB3 LEU 79 HB3 LEU 79 6.480 2.259 5.521 565 HG LEU 79 HG LEU 79 4.085 1.489 6.146 566 HD11 LEU 79 HD11 LEU 79 5.997 0.013 6.211 567 HD12 LEU 79 HD12 LEU 79 4.926 -0.285 7.582 568 HD13 LEU 79 HD13 LEU 79 6.428 0.611 7.814 569 HD21 LEU 79 HD21 LEU 79 3.627 1.486 8.567 570 HD22 LEU 79 HD22 LEU 79 3.589 3.100 7.857 571 HD23 LEU 79 HD23 LEU 79 4.987 2.588 8.805 572 H VAL 80 H VAL 80 8.939 3.072 6.140 573 HA VAL 80 HA VAL 80 9.678 1.031 7.964 574 HB VAL 80 HB VAL 80 11.472 2.591 6.076 575 HG11 VAL 80 HG11 VAL 80 12.779 1.372 7.744 576 HG12 VAL 80 HG12 VAL 80 12.956 0.640 6.149 577 HG13 VAL 80 HG13 VAL 80 11.908 -0.113 7.353 578 HG21 VAL 80 HG21 VAL 80 9.619 1.530 4.903 579 HG22 VAL 80 HG22 VAL 80 10.013 -0.015 5.657 580 HG23 VAL 80 HG23 VAL 80 11.143 0.727 4.526 581 H GLU 81 H GLU 81 10.451 4.515 7.889 582 HA GLU 81 HA GLU 81 12.224 4.294 10.140 583 HB2 GLU 81 HB2 GLU 81 12.219 6.769 10.160 584 HB3 GLU 81 HB3 GLU 81 12.643 6.079 8.603 585 HG2 GLU 81 HG2 GLU 81 10.425 6.569 7.762 586 HG3 GLU 81 HG3 GLU 81 9.952 7.190 9.341 587 H LYS 82 H LYS 82 8.774 4.924 9.788 588 HA LYS 82 HA LYS 82 8.483 5.969 12.462 589 HB2 LYS 82 HB2 LYS 82 6.487 5.162 10.355 590 HB3 LYS 82 HB3 LYS 82 5.994 5.696 11.949 591 HG2 LYS 82 HG2 LYS 82 7.575 7.294 9.946 592 HG3 LYS 82 HG3 LYS 82 5.866 7.493 10.320 593 HD2 LYS 82 HD2 LYS 82 8.070 7.831 12.337 594 HD3 LYS 82 HD3 LYS 82 7.408 9.159 11.385 595 HE2 LYS 82 HE2 LYS 82 5.863 7.407 13.302 596 HE3 LYS 82 HE3 LYS 82 6.398 9.057 13.616 597 HZ1 LYS 82 HZ1 LYS 82 5.025 9.762 11.702 598 HZ2 LYS 82 HZ2 LYS 82 4.122 9.106 12.979 599 HZ3 LYS 82 HZ3 LYS 82 4.413 8.186 11.588 600 H GLN 83 H GLN 83 8.076 2.878 10.907 601 HA GLN 83 HA GLN 83 7.687 0.767 11.605 602 HB2 GLN 83 HB2 GLN 83 8.330 1.898 14.334 603 HB3 GLN 83 HB3 GLN 83 8.036 0.193 14.028 604 HG2 GLN 83 HG2 GLN 83 10.198 1.783 12.681 605 HG3 GLN 83 HG3 GLN 83 10.432 0.854 14.163 606 HE21 GLN 83 HE21 GLN 83 9.945 0.725 10.750 607 HE22 GLN 83 HE22 GLN 83 10.270 -0.966 10.565 608 H ASP 84 H ASP 84 5.491 2.958 11.728 609 HA ASP 84 HA ASP 84 3.572 1.385 13.274 610 HB2 ASP 84 HB2 ASP 84 4.601 3.434 14.536 611 HB3 ASP 84 HB3 ASP 84 3.522 4.377 13.510 612 HA PRO 85 HA PRO 85 1.480 2.125 9.384 613 HB2 PRO 85 HB2 PRO 85 -0.528 0.403 9.759 614 HB3 PRO 85 HB3 PRO 85 1.132 -0.154 9.518 615 HG2 PRO 85 HG2 PRO 85 -0.390 0.173 12.085 616 HG3 PRO 85 HG3 PRO 85 0.570 -1.214 11.528 617 HD2 PRO 85 HD2 PRO 85 1.554 0.650 13.230 618 HD3 PRO 85 HD3 PRO 85 2.568 -0.203 12.049 619 H THR 86 H THR 86 0.275 2.996 12.493 620 HA THR 86 HA THR 86 -2.101 4.194 11.248 621 HB THR 86 HB THR 86 -2.962 2.462 12.592 622 HG1 THR 86 HG1 THR 86 -3.335 5.038 13.427 623 HG21 THR 86 HG21 THR 86 -1.241 3.423 14.868 624 HG22 THR 86 HG22 THR 86 -1.054 1.923 13.959 625 HG23 THR 86 HG23 THR 86 -2.474 2.164 14.978 626 H ASP 87 H ASP 87 0.801 4.875 12.828 627 HA ASP 87 HA ASP 87 -0.171 7.391 13.907 628 HB2 ASP 87 HB2 ASP 87 1.627 6.067 15.080 629 HB3 ASP 87 HB3 ASP 87 2.706 6.480 13.749 630 H ILE 88 H ILE 88 -0.890 8.473 12.234 631 HA ILE 88 HA ILE 88 0.950 9.974 10.654 632 HB ILE 88 HB ILE 88 0.862 7.947 9.250 633 HG12 ILE 88 HG12 ILE 88 0.019 8.955 7.109 634 HG13 ILE 88 HG13 ILE 88 -0.626 10.291 8.052 635 HG21 ILE 88 HG21 ILE 88 -2.114 8.387 9.147 636 HG22 ILE 88 HG22 ILE 88 -1.270 7.034 9.900 637 HG23 ILE 88 HG23 ILE 88 -1.221 7.238 8.147 638 HD11 ILE 88 HD11 ILE 88 1.621 10.892 8.758 639 HD12 ILE 88 HD12 ILE 88 1.490 10.863 6.999 640 HD13 ILE 88 HD13 ILE 88 2.279 9.533 7.848 641 H LYS 89 H LYS 89 -0.017 11.881 9.957 642 HA LYS 89 HA LYS 89 -2.862 12.194 10.633 643 HB2 LYS 89 HB2 LYS 89 -1.211 13.338 12.191 644 HB3 LYS 89 HB3 LYS 89 -0.775 14.366 10.835 645 HG2 LYS 89 HG2 LYS 89 -2.990 15.286 10.737 646 HG3 LYS 89 HG3 LYS 89 -3.568 14.129 11.937 647 HD2 LYS 89 HD2 LYS 89 -1.483 16.257 12.430 648 HD3 LYS 89 HD3 LYS 89 -3.183 16.375 12.885 649 HE2 LYS 89 HE2 LYS 89 -1.238 14.288 13.893 650 HE3 LYS 89 HE3 LYS 89 -1.741 15.724 14.782 651 HZ1 LYS 89 HZ1 LYS 89 -2.938 13.692 15.439 652 HZ2 LYS 89 HZ2 LYS 89 -3.590 13.573 13.879 653 HZ3 LYS 89 HZ3 LYS 89 -3.977 14.899 14.863 654 H TYR 90 H TYR 90 -4.125 12.927 9.058 655 HA TYR 90 HA TYR 90 -2.824 14.004 6.645 656 HB2 TYR 90 HB2 TYR 90 -5.565 12.734 6.752 657 HB3 TYR 90 HB3 TYR 90 -4.671 13.229 5.327 658 HD1 TYR 90 HD2 TYR 90 -2.281 12.071 5.112 659 HD2 TYR 90 HD1 TYR 90 -5.601 10.511 7.250 660 HE1 TYR 90 HE2 TYR 90 -1.362 9.805 4.884 661 HE2 TYR 90 HE1 TYR 90 -4.695 8.243 7.030 662 HH TYR 90 HH TYR 90 -3.185 7.032 5.543 663 H LYS 91 H LYS 91 -3.723 15.739 5.607 664 HA LYS 91 HA LYS 91 -6.061 16.999 6.797 665 HB2 LYS 91 HB2 LYS 91 -4.525 19.207 6.124 666 HB3 LYS 91 HB3 LYS 91 -4.849 18.634 7.747 667 HG2 LYS 91 HG2 LYS 91 -2.550 18.934 7.734 668 HG3 LYS 91 HG3 LYS 91 -2.715 17.209 7.442 669 HD2 LYS 91 HD2 LYS 91 -1.032 18.006 5.971 670 HD3 LYS 91 HD3 LYS 91 -2.466 17.715 4.985 671 HE2 LYS 91 HE2 LYS 91 -2.955 20.028 4.844 672 HE3 LYS 91 HE3 LYS 91 -1.805 20.422 6.121 673 HZ1 LYS 91 HZ1 LYS 91 -1.086 19.353 3.446 674 HZ2 LYS 91 HZ2 LYS 91 -0.002 19.800 4.667 675 HZ3 LYS 91 HZ3 LYS 91 -0.963 20.975 3.920 676 H ASP 92 H ASP 92 -7.122 16.080 4.961 677 HA ASP 92 HA ASP 92 -7.241 17.875 2.721 678 HB2 ASP 92 HB2 ASP 92 -5.371 16.047 2.325 679 HB3 ASP 92 HB3 ASP 92 -6.736 14.974 2.071 680 H ASN 93 H ASN 93 -8.772 16.183 1.062 681 HA ASN 93 HA ASN 93 -11.154 15.616 2.637 682 HB2 ASN 93 HB2 ASN 93 -10.591 15.591 -0.332 683 HB3 ASN 93 HB3 ASN 93 -12.110 15.023 0.352 684 HD21 ASN 93 HD21 ASN 93 -10.157 17.768 -0.412 685 HD22 ASN 93 HD22 ASN 93 -11.358 18.969 -0.073 686 H ASP 94 H ASP 94 -8.383 13.916 1.645 687 HA ASP 94 HA ASP 94 -9.798 11.355 1.939 688 HB2 ASP 94 HB2 ASP 94 -9.057 11.944 -0.523 689 HB3 ASP 94 HB3 ASP 94 -7.448 11.558 0.069 690 H GLY 95 H GLY 95 -6.571 12.882 1.780 691 HA2 GLY 95 HA2 GLY 95 -5.428 11.803 3.991 692 HA3 GLY 95 HA3 GLY 95 -5.371 10.497 2.818 693 H HIS 96 H HIS 96 -4.819 14.019 2.621 694 HA HIS 96 HA HIS 96 -2.257 13.481 1.336 695 HB2 HIS 96 HB2 HIS 96 -4.006 15.851 1.538 696 HB3 HIS 96 HB3 HIS 96 -2.276 16.172 1.558 697 HD1 HIS 96 HD1 HIS 96 -3.534 17.316 -0.781 698 HD2 HIS 96 HD2 HIS 96 -2.413 13.319 -0.743 699 HE1 HIS 96 HE1 HIS 96 -3.280 16.671 -3.189 700 HE2 HIS 96 HE2 HIS 96 -2.491 14.288 -3.138 701 H THR 97 H THR 97 -0.383 13.702 2.260 702 HA THR 97 HA THR 97 -0.299 14.779 4.981 703 HB THR 97 HB THR 97 0.048 12.417 5.165 704 HG1 THR 97 HG1 THR 97 1.447 13.546 6.480 705 HG21 THR 97 HG21 THR 97 0.620 11.901 2.857 706 HG22 THR 97 HG22 THR 97 1.811 11.217 3.964 707 HG23 THR 97 HG23 THR 97 2.191 12.683 3.060 708 H ASP 98 H ASP 98 1.209 16.261 5.417 709 HA ASP 98 HA ASP 98 2.843 17.194 3.174 710 HB2 ASP 98 HB2 ASP 98 1.243 18.735 4.451 711 HB3 ASP 98 HB3 ASP 98 2.386 18.635 5.783 712 H ALA 99 H ALA 99 2.983 15.403 6.007 713 HA ALA 99 HA ALA 99 5.643 15.934 6.890 714 HB1 ALA 99 HB1 ALA 99 3.918 13.489 7.309 715 HB2 ALA 99 HB2 ALA 99 3.972 14.907 8.358 716 HB3 ALA 99 HB3 ALA 99 5.394 13.877 8.194 717 H ILE 100 H ILE 100 4.162 13.384 4.881 718 HA ILE 100 HA ILE 100 6.758 12.652 3.817 719 HB ILE 100 HB ILE 100 4.079 11.808 2.692 720 HG12 ILE 100 HG12 ILE 100 5.693 10.354 4.803 721 HG13 ILE 100 HG13 ILE 100 4.248 11.297 5.147 722 HG21 ILE 100 HG21 ILE 100 6.024 11.405 1.282 723 HG22 ILE 100 HG22 ILE 100 5.374 9.880 1.885 724 HG23 ILE 100 HG23 ILE 100 6.829 10.564 2.608 725 HD11 ILE 100 HD11 ILE 100 4.378 8.842 3.409 726 HD12 ILE 100 HD12 ILE 100 2.929 9.784 3.766 727 HD13 ILE 100 HD13 ILE 100 3.762 8.921 5.059 728 H SER 101 H SER 101 7.510 14.516 2.924 729 HA SER 101 HA SER 101 6.004 16.149 1.134 730 HB2 SER 101 HB2 SER 101 8.998 16.086 1.589 731 HB3 SER 101 HB3 SER 101 8.075 17.402 0.862 732 HG SER 101 HG SER 101 7.125 16.624 3.316 733 H GLY 102 H GLY 102 5.375 15.423 -0.734 734 HA2 GLY 102 HA2 GLY 102 6.331 15.163 -3.068 735 HA3 GLY 102 HA3 GLY 102 7.240 13.824 -2.379 736 H ALA 103 H ALA 103 4.656 13.480 -0.649 737 HA ALA 103 HA ALA 103 3.439 11.573 -2.470 738 HB1 ALA 103 HB1 ALA 103 2.333 10.693 -0.484 739 HB2 ALA 103 HB2 ALA 103 2.987 12.024 0.473 740 HB3 ALA 103 HB3 ALA 103 4.074 10.830 -0.237 741 H THR 104 H THR 104 2.296 12.828 -3.839 742 HA THR 104 HA THR 104 0.137 14.484 -2.764 743 HB THR 104 HB THR 104 1.615 15.590 -4.353 744 HG1 THR 104 HG1 THR 104 -0.302 16.483 -4.673 745 HG21 THR 104 HG21 THR 104 0.789 13.481 -6.338 746 HG22 THR 104 HG22 THR 104 2.388 13.655 -5.613 747 HG23 THR 104 HG23 THR 104 1.765 14.905 -6.693 748 H ILE 105 H ILE 105 0.582 11.396 -3.510 749 HA ILE 105 HA ILE 105 -1.989 10.836 -4.708 750 HB ILE 105 HB ILE 105 0.187 9.600 -5.101 751 HG12 ILE 105 HG12 ILE 105 -2.217 8.662 -5.520 752 HG13 ILE 105 HG13 ILE 105 -0.814 7.634 -5.717 753 HG21 ILE 105 HG21 ILE 105 -0.301 8.474 -2.366 754 HG22 ILE 105 HG22 ILE 105 1.057 9.464 -2.897 755 HG23 ILE 105 HG23 ILE 105 0.859 7.828 -3.530 756 HD11 ILE 105 HD11 ILE 105 -2.685 7.652 -3.360 757 HD12 ILE 105 HD12 ILE 105 -1.279 6.604 -3.549 758 HD13 ILE 105 HD13 ILE 105 -2.644 6.457 -4.659 759 H LYS 106 H LYS 106 -3.737 9.704 -3.528 760 HA LYS 106 HA LYS 106 -4.328 10.169 -0.888 761 HB2 LYS 106 HB2 LYS 106 -5.053 7.781 -2.594 762 HB3 LYS 106 HB3 LYS 106 -5.726 8.058 -1.000 763 HG2 LYS 106 HG2 LYS 106 -7.379 8.844 -2.385 764 HG3 LYS 106 HG3 LYS 106 -6.507 10.317 -1.980 765 HD2 LYS 106 HD2 LYS 106 -5.376 10.288 -4.098 766 HD3 LYS 106 HD3 LYS 106 -6.076 8.718 -4.497 767 HE2 LYS 106 HE2 LYS 106 -7.210 10.599 -5.623 768 HE3 LYS 106 HE3 LYS 106 -8.285 9.673 -4.577 769 HZ1 LYS 106 HZ1 LYS 106 -8.585 12.084 -4.372 770 HZ2 LYS 106 HZ2 LYS 106 -6.991 12.239 -3.824 771 HZ3 LYS 106 HZ3 LYS 106 -8.119 11.373 -2.910 772 H VAL 107 H VAL 107 -2.669 9.902 0.556 773 HA VAL 107 HA VAL 107 -1.131 7.475 0.757 774 HB VAL 107 HB VAL 107 -1.225 10.023 2.393 775 HG11 VAL 107 HG11 VAL 107 -0.545 8.217 3.905 776 HG12 VAL 107 HG12 VAL 107 0.789 9.319 3.556 777 HG13 VAL 107 HG13 VAL 107 0.711 7.744 2.762 778 HG21 VAL 107 HG21 VAL 107 0.875 8.849 0.601 779 HG22 VAL 107 HG22 VAL 107 0.924 10.429 1.392 780 HG23 VAL 107 HG23 VAL 107 -0.277 10.104 0.138 781 H LYS 108 H LYS 108 -4.094 8.612 1.939 782 HA LYS 108 HA LYS 108 -4.469 7.281 4.343 783 HB2 LYS 108 HB2 LYS 108 -6.047 8.928 3.357 784 HB3 LYS 108 HB3 LYS 108 -6.507 7.750 2.144 785 HG2 LYS 108 HG2 LYS 108 -6.836 6.958 4.981 786 HG3 LYS 108 HG3 LYS 108 -7.930 8.187 4.348 787 HD2 LYS 108 HD2 LYS 108 -8.617 6.686 2.562 788 HD3 LYS 108 HD3 LYS 108 -7.469 5.468 3.114 789 HE2 LYS 108 HE2 LYS 108 -9.663 4.871 3.874 790 HE3 LYS 108 HE3 LYS 108 -8.698 5.359 5.264 791 HZ1 LYS 108 HZ1 LYS 108 -9.789 7.476 5.286 792 HZ2 LYS 108 HZ2 LYS 108 -10.975 6.267 5.274 793 HZ3 LYS 108 HZ3 LYS 108 -10.624 7.126 3.856 794 H LYS 109 H LYS 109 -4.760 6.025 1.010 795 HA LYS 109 HA LYS 109 -5.835 3.501 1.667 796 HB2 LYS 109 HB2 LYS 109 -5.757 4.587 -0.621 797 HB3 LYS 109 HB3 LYS 109 -4.065 4.126 -0.703 798 HG2 LYS 109 HG2 LYS 109 -5.239 2.472 -1.904 799 HG3 LYS 109 HG3 LYS 109 -4.826 1.735 -0.360 800 HD2 LYS 109 HD2 LYS 109 -7.089 1.148 -0.875 801 HD3 LYS 109 HD3 LYS 109 -7.118 2.310 0.451 802 HE2 LYS 109 HE2 LYS 109 -7.589 4.106 -1.193 803 HE3 LYS 109 HE3 LYS 109 -7.658 2.886 -2.464 804 HZ1 LYS 109 HZ1 LYS 109 -9.514 1.857 -1.364 805 HZ2 LYS 109 HZ2 LYS 109 -9.855 3.495 -1.632 806 HZ3 LYS 109 HZ3 LYS 109 -9.422 2.960 -0.081 807 H PHE 110 H PHE 110 -2.495 4.653 1.517 808 HA PHE 110 HA PHE 110 -1.238 2.117 1.602 809 HB2 PHE 110 HB2 PHE 110 0.027 4.047 0.855 810 HB3 PHE 110 HB3 PHE 110 -0.204 4.848 2.405 811 HD1 PHE 110 HD1 PHE 110 1.421 1.901 0.819 812 HD2 PHE 110 HD2 PHE 110 1.302 4.573 4.119 813 HE1 PHE 110 HE1 PHE 110 3.500 0.910 1.698 814 HE2 PHE 110 HE2 PHE 110 3.360 3.587 5.006 815 HZ PHE 110 HZ PHE 110 4.456 1.754 3.814 816 H PHE 111 H PHE 111 -1.766 4.528 4.169 817 HA PHE 111 HA PHE 111 -0.717 2.787 6.169 818 HB2 PHE 111 HB2 PHE 111 -2.039 5.473 6.275 819 HB3 PHE 111 HB3 PHE 111 -1.703 4.572 7.749 820 HD1 PHE 111 HD1 PHE 111 0.609 4.118 8.429 821 HD2 PHE 111 HD2 PHE 111 -0.263 6.510 5.016 822 HE1 PHE 111 HE1 PHE 111 2.909 4.986 8.451 823 HE2 PHE 111 HE2 PHE 111 2.040 7.369 5.036 824 HZ PHE 111 HZ PHE 111 3.625 6.613 6.756 825 H ASP 112 H ASP 112 -3.928 3.380 4.942 826 HA ASP 112 HA ASP 112 -5.530 2.229 6.967 827 HB2 ASP 112 HB2 ASP 112 -6.179 3.373 4.684 828 HB3 ASP 112 HB3 ASP 112 -6.069 1.748 4.055 829 H LEU 113 H LEU 113 -4.047 0.856 4.107 830 HA LEU 113 HA LEU 113 -4.903 -1.806 4.708 831 HB2 LEU 113 HB2 LEU 113 -3.481 -0.448 2.480 832 HB3 LEU 113 HB3 LEU 113 -3.280 -2.166 2.646 833 HG LEU 113 HG LEU 113 -5.009 -1.779 1.038 834 HD11 LEU 113 HD11 LEU 113 -5.340 -3.662 2.517 835 HD12 LEU 113 HD12 LEU 113 -6.887 -2.944 2.071 836 HD13 LEU 113 HD13 LEU 113 -6.199 -2.634 3.665 837 HD21 LEU 113 HD21 LEU 113 -5.697 0.463 1.629 838 HD22 LEU 113 HD22 LEU 113 -6.391 -0.118 3.143 839 HD23 LEU 113 HD23 LEU 113 -7.099 -0.609 1.603 840 H ALA 114 H ALA 114 -2.039 0.071 5.285 841 HA ALA 114 HA ALA 114 -0.354 -2.084 6.039 842 HB1 ALA 114 HB1 ALA 114 0.975 -0.395 7.185 843 HB2 ALA 114 HB2 ALA 114 -0.341 0.769 7.016 844 HB3 ALA 114 HB3 ALA 114 0.496 0.170 5.583 845 H GLN 115 H GLN 115 -2.772 -0.150 7.734 846 HA GLN 115 HA GLN 115 -2.442 -1.255 10.325 847 HB2 GLN 115 HB2 GLN 115 -4.686 0.158 8.930 848 HB3 GLN 115 HB3 GLN 115 -4.936 -0.539 10.522 849 HG2 GLN 115 HG2 GLN 115 -3.280 0.866 11.473 850 HG3 GLN 115 HG3 GLN 115 -2.772 1.437 9.888 851 HE21 GLN 115 HE21 GLN 115 -3.932 2.982 8.851 852 HE22 GLN 115 HE22 GLN 115 -5.229 3.863 9.587 853 H LYS 116 H LYS 116 -4.354 -2.191 7.535 854 HA LYS 116 HA LYS 116 -5.745 -4.318 8.828 855 HB2 LYS 116 HB2 LYS 116 -5.431 -3.493 5.949 856 HB3 LYS 116 HB3 LYS 116 -6.342 -4.924 6.419 857 HG2 LYS 116 HG2 LYS 116 -7.890 -3.607 7.684 858 HG3 LYS 116 HG3 LYS 116 -6.918 -2.152 7.448 859 HD2 LYS 116 HD2 LYS 116 -8.816 -2.089 5.956 860 HD3 LYS 116 HD3 LYS 116 -7.345 -2.309 5.008 861 HE2 LYS 116 HE2 LYS 116 -7.812 -4.712 4.848 862 HE3 LYS 116 HE3 LYS 116 -9.275 -4.490 5.806 863 HZ1 LYS 116 HZ1 LYS 116 -10.207 -3.143 4.073 864 HZ2 LYS 116 HZ2 LYS 116 -9.697 -4.613 3.403 865 HZ3 LYS 116 HZ3 LYS 116 -8.775 -3.213 3.172 866 H ALA 117 H ALA 117 -2.665 -4.054 7.228 867 HA ALA 117 HA ALA 117 -2.222 -6.839 6.871 868 HB1 ALA 117 HB1 ALA 117 0.054 -6.230 6.419 869 HB2 ALA 117 HB2 ALA 117 -0.199 -4.634 7.135 870 HB3 ALA 117 HB3 ALA 117 -1.022 -5.073 5.638 871 H LEU 118 H LEU 118 -1.590 -4.556 9.459 872 HA LEU 118 HA LEU 118 -0.304 -6.708 11.014 873 HB2 LEU 118 HB2 LEU 118 -0.098 -3.736 11.453 874 HB3 LEU 118 HB3 LEU 118 0.916 -4.996 12.141 875 HG LEU 118 HG LEU 118 0.789 -4.643 9.178 876 HD11 LEU 118 HD11 LEU 118 2.620 -3.085 9.306 877 HD12 LEU 118 HD12 LEU 118 2.489 -3.071 11.068 878 HD13 LEU 118 HD13 LEU 118 1.159 -2.465 10.075 879 HD21 LEU 118 HD21 LEU 118 3.071 -5.497 9.302 880 HD22 LEU 118 HD22 LEU 118 1.922 -6.602 10.056 881 HD23 LEU 118 HD23 LEU 118 2.946 -5.575 11.060 882 H LYS 119 H LYS 119 -3.173 -6.061 10.681 883 HA LYS 119 HA LYS 119 -4.162 -5.011 13.135 884 HB2 LYS 119 HB2 LYS 119 -6.367 -5.694 12.332 885 HB3 LYS 119 HB3 LYS 119 -5.447 -4.906 11.054 886 HG2 LYS 119 HG2 LYS 119 -4.990 -7.039 10.007 887 HG3 LYS 119 HG3 LYS 119 -5.766 -7.896 11.337 888 HD2 LYS 119 HD2 LYS 119 -7.155 -5.958 9.492 889 HD3 LYS 119 HD3 LYS 119 -7.190 -7.713 9.319 890 HE2 LYS 119 HE2 LYS 119 -8.098 -7.740 11.706 891 HE3 LYS 119 HE3 LYS 119 -8.370 -6.015 11.497 892 HZ1 LYS 119 HZ1 LYS 119 -9.723 -6.563 9.530 893 HZ2 LYS 119 HZ2 LYS 119 -10.358 -7.183 10.973 894 HZ3 LYS 119 HZ3 LYS 119 -9.553 -8.210 9.892 895 H ASP 120 H ASP 120 -3.498 -8.267 11.981 896 HA ASP 120 HA ASP 120 -4.082 -9.268 14.675 897 HB2 ASP 120 HB2 ASP 120 -4.850 -11.428 13.576 898 HB3 ASP 120 HB3 ASP 120 -5.923 -10.049 13.434 899 H ALA 121 H ALA 121 -1.827 -8.978 12.213 900 HA ALA 121 HA ALA 121 0.243 -9.748 11.776 901 HB1 ALA 121 HB1 ALA 121 1.627 -10.433 13.637 902 HB2 ALA 121 HB2 ALA 121 0.197 -10.692 14.636 903 HB3 ALA 121 HB3 ALA 121 0.613 -9.064 14.098 904 H GLU 122 H GLU 122 -1.992 -11.479 11.215 905 HA GLU 122 HA GLU 122 -0.498 -13.968 10.885 906 HB2 GLU 122 HB2 GLU 122 -3.362 -13.772 11.856 907 HB3 GLU 122 HB3 GLU 122 -2.616 -15.259 11.296 908 HG2 GLU 122 HG2 GLU 122 -0.957 -15.079 13.117 909 HG3 GLU 122 HG3 GLU 122 -1.784 -13.633 13.694 910 H LYS 123 H LYS 123 -0.304 -12.544 8.806 911 HA LYS 123 HA LYS 123 -2.611 -13.109 7.060 912 HB2 LYS 123 HB2 LYS 123 -0.396 -11.245 6.250 913 HB3 LYS 123 HB3 LYS 123 -2.021 -11.345 5.614 914 HG2 LYS 123 HG2 LYS 123 -1.098 -10.083 8.177 915 HG3 LYS 123 HG3 LYS 123 -1.842 -9.306 6.791 916 HD2 LYS 123 HD2 LYS 123 -3.204 -11.201 8.704 917 HD3 LYS 123 HD3 LYS 123 -3.361 -9.444 8.706 918 HE2 LYS 123 HE2 LYS 123 -4.499 -9.483 6.609 919 HE3 LYS 123 HE3 LYS 123 -4.158 -11.204 6.391 920 HZ1 LYS 123 HZ1 LYS 123 -5.775 -10.101 8.624 921 HZ2 LYS 123 HZ2 LYS 123 -5.549 -11.731 8.238 922 HZ3 LYS 123 HZ3 LYS 123 -6.437 -10.731 7.197 923 H LEU 124 H LEU 124 -1.631 -13.237 4.605 924 HA LEU 124 HA LEU 124 0.237 -15.492 4.742 925 HB2 LEU 124 HB2 LEU 124 -1.818 -14.733 2.671 926 HB3 LEU 124 HB3 LEU 124 -0.569 -15.911 2.348 927 HG LEU 124 HG LEU 124 -2.439 -17.192 2.861 928 HD11 LEU 124 HD11 LEU 124 -0.512 -17.993 4.058 929 HD12 LEU 124 HD12 LEU 124 -1.978 -18.288 4.994 930 HD13 LEU 124 HD13 LEU 124 -0.902 -16.961 5.434 931 HD21 LEU 124 HD21 LEU 124 -3.009 -15.392 5.210 932 HD22 LEU 124 HD22 LEU 124 -3.915 -16.845 4.782 933 HD23 LEU 124 HD23 LEU 124 -3.908 -15.458 3.692 934 H GLU 125 H GLU 125 1.634 -15.743 2.748 935 HA GLU 125 HA GLU 125 2.593 -13.202 1.682 936 HB2 GLU 125 HB2 GLU 125 4.072 -13.389 3.499 937 HB3 GLU 125 HB3 GLU 125 4.159 -15.137 3.369 938 HG2 GLU 125 HG2 GLU 125 6.257 -14.309 2.702 939 HG3 GLU 125 HG3 GLU 125 5.441 -14.828 1.234 940 H HIS 126 H HIS 126 3.063 -13.299 -0.403 941 HA HIS 126 HA HIS 126 4.182 -15.726 -1.555 942 HB2 HIS 126 HB2 HIS 126 1.740 -14.332 -2.665 943 HB3 HIS 126 HB3 HIS 126 2.787 -15.310 -3.680 944 HD1 HIS 126 HD1 HIS 126 -0.049 -15.524 -1.418 945 HD2 HIS 126 HD2 HIS 126 2.890 -18.097 -2.829 946 HE1 HIS 126 HE1 HIS 126 -0.884 -17.839 -0.904 947 HE2 HIS 126 HE2 HIS 126 0.846 -19.382 -1.890 948 H HIS 127 H HIS 127 6.059 -14.280 -1.201 949 HA HIS 127 HA HIS 127 6.550 -12.730 -3.637 950 HB2 HIS 127 HB2 HIS 127 6.967 -11.686 -0.830 951 HB3 HIS 127 HB3 HIS 127 7.893 -11.073 -2.189 952 HD1 HIS 127 HD1 HIS 127 4.651 -10.810 -0.478 953 HD2 HIS 127 HD2 HIS 127 6.355 -9.578 -4.066 954 HE1 HIS 127 HE1 HIS 127 3.122 -9.025 -1.381 955 HE2 HIS 127 HE2 HIS 127 4.376 -8.069 -3.332 956 H HIS 128 H HIS 128 8.764 -12.559 -4.186 957 HA HIS 128 HA HIS 128 10.606 -14.392 -2.894 958 HB2 HIS 128 HB2 HIS 128 10.709 -14.134 -5.351 959 HB3 HIS 128 HB3 HIS 128 10.989 -12.412 -5.172 960 HD1 HIS 128 HD1 HIS 128 12.716 -15.738 -4.726 961 HD2 HIS 128 HD2 HIS 128 13.641 -11.680 -4.788 962 HE1 HIS 128 HE1 HIS 128 15.228 -15.616 -4.780 963 HE2 HIS 128 HE2 HIS 128 15.767 -13.162 -4.905 964 H HIS 129 H HIS 129 11.745 -13.799 -1.159 965 HA HIS 129 HA HIS 129 11.588 -11.199 -0.038 966 HB2 HIS 129 HB2 HIS 129 11.863 -13.301 1.286 967 HB3 HIS 129 HB3 HIS 129 13.508 -13.434 0.687 968 HD1 HIS 129 HD1 HIS 129 15.275 -11.823 1.708 969 HD2 HIS 129 HD2 HIS 129 11.454 -11.365 3.263 970 HE1 HIS 129 HE1 HIS 129 15.532 -10.303 3.696 971 HE2 HIS 129 HE2 HIS 129 13.172 -9.804 4.397 972 H HIS 130 H HIS 130 12.648 -9.479 -0.611 973 HA HIS 130 HA HIS 130 15.131 -9.681 -2.135 974 HB2 HIS 130 HB2 HIS 130 13.032 -8.151 -2.652 975 HB3 HIS 130 HB3 HIS 130 13.773 -7.088 -1.464 976 HD1 HIS 130 HD1 HIS 130 14.040 -8.218 -4.964 977 HD2 HIS 130 HD2 HIS 130 16.283 -5.975 -2.281 978 HE1 HIS 130 HE1 HIS 130 15.731 -6.987 -6.363 979 HE2 HIS 130 HE2 HIS 130 16.933 -5.479 -4.740 980 H HIS 131 H HIS 131 17.080 -9.087 -1.318 981 HA HIS 131 HA HIS 131 17.238 -8.575 1.529 982 HB2 HIS 131 HB2 HIS 131 19.316 -9.071 -0.588 983 HB3 HIS 131 HB3 HIS 131 19.765 -8.517 1.019 984 HD1 HIS 131 HD1 HIS 131 20.115 -11.417 -0.594 985 HD2 HIS 131 HD2 HIS 131 17.922 -10.517 2.818 986 HE1 HIS 131 HE1 HIS 131 19.922 -13.582 0.670 987 HE2 HIS 131 HE2 HIS 131 18.766 -12.968 2.820 Start of MODEL 16 1 H1 MET 1 H1 MET 1 4.148 -8.195 17.528 2 H2 MET 1 H2 MET 1 3.151 -9.558 17.457 3 H3 MET 1 H3 MET 1 2.537 -8.036 17.038 4 HA MET 1 HA MET 1 2.977 -9.352 15.076 5 HB2 MET 1 HB2 MET 1 3.186 -6.909 14.993 6 HB3 MET 1 HB3 MET 1 4.864 -7.022 15.502 7 HG2 MET 1 HG2 MET 1 5.491 -8.047 13.441 8 HG3 MET 1 HG3 MET 1 3.807 -8.189 12.941 9 HE1 MET 1 HE1 MET 1 5.058 -5.046 14.846 10 HE2 MET 1 HE2 MET 1 5.686 -4.021 13.552 11 HE3 MET 1 HE3 MET 1 6.541 -5.498 14.003 12 H LYS 2 H LYS 2 4.114 -10.938 14.206 13 HA LYS 2 HA LYS 2 6.734 -11.584 15.344 14 HB2 LYS 2 HB2 LYS 2 6.396 -13.831 14.425 15 HB3 LYS 2 HB3 LYS 2 5.051 -13.376 15.458 16 HG2 LYS 2 HG2 LYS 2 3.773 -12.780 13.388 17 HG3 LYS 2 HG3 LYS 2 5.096 -13.472 12.448 18 HD2 LYS 2 HD2 LYS 2 3.412 -15.149 12.663 19 HD3 LYS 2 HD3 LYS 2 4.754 -15.612 13.711 20 HE2 LYS 2 HE2 LYS 2 3.535 -14.615 15.628 21 HE3 LYS 2 HE3 LYS 2 2.176 -14.290 14.552 22 HZ1 LYS 2 HZ1 LYS 2 1.947 -16.650 14.165 23 HZ2 LYS 2 HZ2 LYS 2 1.879 -16.326 15.826 24 HZ3 LYS 2 HZ3 LYS 2 3.288 -16.973 15.149 25 H ASP 3 H ASP 3 8.325 -12.487 13.747 26 HA ASP 3 HA ASP 3 8.611 -10.626 11.588 27 HB2 ASP 3 HB2 ASP 3 10.787 -11.750 11.187 28 HB3 ASP 3 HB3 ASP 3 10.589 -11.194 12.840 29 H GLY 4 H GLY 4 7.587 -10.839 9.765 30 HA2 GLY 4 HA2 GLY 4 7.706 -13.087 8.089 31 HA3 GLY 4 HA3 GLY 4 6.179 -13.120 8.967 32 H THR 5 H THR 5 5.642 -12.951 6.510 33 HA THR 5 HA THR 5 5.633 -10.138 5.697 34 HB THR 5 HB THR 5 5.189 -12.637 4.054 35 HG1 THR 5 HG1 THR 5 7.288 -12.542 3.928 36 HG21 THR 5 HG21 THR 5 5.326 -9.754 3.166 37 HG22 THR 5 HG22 THR 5 3.883 -10.770 3.154 38 HG23 THR 5 HG23 THR 5 5.248 -11.160 2.106 39 H TYR 6 H TYR 6 3.925 -9.056 6.035 40 HA TYR 6 HA TYR 6 1.323 -10.384 6.327 41 HB2 TYR 6 HB2 TYR 6 2.317 -7.663 7.208 42 HB3 TYR 6 HB3 TYR 6 0.679 -8.257 7.453 43 HD1 TYR 6 HD2 TYR 6 4.216 -8.744 8.453 44 HD2 TYR 6 HD1 TYR 6 0.150 -9.681 9.190 45 HE1 TYR 6 HE2 TYR 6 4.837 -9.699 10.635 46 HE2 TYR 6 HE1 TYR 6 0.750 -10.615 11.349 47 HH TYR 6 HH TYR 6 2.613 -11.527 12.506 48 H TYR 7 H TYR 7 -0.276 -9.863 4.831 49 HA TYR 7 HA TYR 7 0.028 -7.284 3.545 50 HB2 TYR 7 HB2 TYR 7 0.145 -7.973 1.380 51 HB3 TYR 7 HB3 TYR 7 0.858 -9.399 2.102 52 HD1 TYR 7 HD2 TYR 7 -0.541 -11.462 2.361 53 HD2 TYR 7 HD1 TYR 7 -1.875 -8.049 0.212 54 HE1 TYR 7 HE2 TYR 7 -2.277 -12.831 1.280 55 HE2 TYR 7 HE1 TYR 7 -3.616 -9.384 -0.875 56 HH TYR 7 HH TYR 7 -4.082 -11.737 -1.404 57 H ALA 8 H ALA 8 -1.906 -6.386 2.778 58 HA ALA 8 HA ALA 8 -4.367 -7.880 3.264 59 HB1 ALA 8 HB1 ALA 8 -4.060 -6.501 5.258 60 HB2 ALA 8 HB2 ALA 8 -5.435 -5.951 4.299 61 HB3 ALA 8 HB3 ALA 8 -3.910 -5.066 4.244 62 H GLU 9 H GLU 9 -6.024 -7.292 1.893 63 HA GLU 9 HA GLU 9 -5.253 -5.411 -0.229 64 HB2 GLU 9 HB2 GLU 9 -6.561 -6.698 -1.785 65 HB3 GLU 9 HB3 GLU 9 -5.468 -7.785 -0.949 66 HG2 GLU 9 HG2 GLU 9 -7.390 -8.405 0.536 67 HG3 GLU 9 HG3 GLU 9 -8.420 -7.476 -0.559 68 H ALA 10 H ALA 10 -6.921 -4.068 -1.077 69 HA ALA 10 HA ALA 10 -8.487 -2.900 0.963 70 HB1 ALA 10 HB1 ALA 10 -8.579 -2.398 -2.006 71 HB2 ALA 10 HB2 ALA 10 -7.481 -1.628 -0.859 72 HB3 ALA 10 HB3 ALA 10 -9.218 -1.343 -0.743 73 H ASP 11 H ASP 11 -10.790 -2.358 0.726 74 HA ASP 11 HA ASP 11 -12.365 -4.747 0.234 75 HB2 ASP 11 HB2 ASP 11 -12.677 -3.304 2.258 76 HB3 ASP 11 HB3 ASP 11 -13.216 -2.004 1.204 77 H ASP 12 H ASP 12 -11.360 -2.081 -1.500 78 HA ASP 12 HA ASP 12 -13.527 -2.291 -3.468 79 HB2 ASP 12 HB2 ASP 12 -13.365 0.142 -3.813 80 HB3 ASP 12 HB3 ASP 12 -13.800 -0.224 -2.147 81 H PHE 13 H PHE 13 -12.874 -1.631 -5.638 82 HA PHE 13 HA PHE 13 -9.973 -1.641 -6.130 83 HB2 PHE 13 HB2 PHE 13 -12.305 -1.915 -8.051 84 HB3 PHE 13 HB3 PHE 13 -10.631 -1.777 -8.558 85 HD1 PHE 13 HD2 PHE 13 -13.133 -3.955 -7.000 86 HD2 PHE 13 HD1 PHE 13 -9.124 -3.623 -8.376 87 HE1 PHE 13 HE2 PHE 13 -12.900 -6.399 -6.901 88 HE2 PHE 13 HE1 PHE 13 -8.887 -6.068 -8.286 89 HZ PHE 13 HZ PHE 13 -10.777 -7.459 -7.545 90 H ASP 14 H ASP 14 -9.076 0.102 -7.342 91 HA ASP 14 HA ASP 14 -10.484 2.610 -7.106 92 HB2 ASP 14 HB2 ASP 14 -7.901 2.152 -6.895 93 HB3 ASP 14 HB3 ASP 14 -7.921 2.267 -8.651 94 H GLU 15 H GLU 15 -10.323 4.047 -9.222 95 HA GLU 15 HA GLU 15 -12.298 2.960 -10.938 96 HB2 GLU 15 HB2 GLU 15 -10.663 5.480 -11.216 97 HB3 GLU 15 HB3 GLU 15 -12.083 5.087 -12.177 98 HG2 GLU 15 HG2 GLU 15 -13.455 5.090 -10.156 99 HG3 GLU 15 HG3 GLU 15 -12.030 5.479 -9.191 100 H SER 16 H SER 16 -8.804 3.356 -11.317 101 HA SER 16 HA SER 16 -8.892 2.591 -14.105 102 HB2 SER 16 HB2 SER 16 -6.527 3.092 -12.296 103 HB3 SER 16 HB3 SER 16 -6.447 2.828 -14.043 104 HG SER 16 HG SER 16 -8.251 4.759 -13.353 105 H GLY 17 H GLY 17 -9.283 0.792 -11.413 106 HA2 GLY 17 HA2 GLY 17 -9.832 -1.474 -11.649 107 HA3 GLY 17 HA3 GLY 17 -8.790 -1.562 -13.061 108 H TRP 18 H TRP 18 -7.970 -0.347 -9.834 109 HA TRP 18 HA TRP 18 -6.211 -2.669 -9.466 110 HB2 TRP 18 HB2 TRP 18 -5.405 0.229 -9.248 111 HB3 TRP 18 HB3 TRP 18 -4.460 -1.085 -8.563 112 HD1 TRP 18 HD1 TRP 18 -4.740 0.938 -11.630 113 HE1 TRP 18 HE1 TRP 18 -3.343 -0.120 -13.522 114 HE3 TRP 18 HE3 TRP 18 -3.958 -3.682 -9.610 115 HZ2 TRP 18 HZ2 TRP 18 -2.110 -2.588 -14.080 116 HZ3 TRP 18 HZ3 TRP 18 -2.689 -5.330 -10.898 117 HH2 TRP 18 HH2 TRP 18 -1.793 -4.798 -13.091 118 H LYS 19 H LYS 19 -6.629 -3.604 -7.603 119 HA LYS 19 HA LYS 19 -7.812 -2.122 -5.395 120 HB2 LYS 19 HB2 LYS 19 -8.589 -4.425 -5.866 121 HB3 LYS 19 HB3 LYS 19 -6.964 -5.033 -5.569 122 HG2 LYS 19 HG2 LYS 19 -7.097 -4.217 -3.263 123 HG3 LYS 19 HG3 LYS 19 -8.752 -3.692 -3.565 124 HD2 LYS 19 HD2 LYS 19 -7.856 -6.526 -3.958 125 HD3 LYS 19 HD3 LYS 19 -8.443 -5.923 -2.408 126 HE2 LYS 19 HE2 LYS 19 -10.528 -5.192 -3.622 127 HE3 LYS 19 HE3 LYS 19 -9.933 -6.099 -5.015 128 HZ1 LYS 19 HZ1 LYS 19 -10.624 -7.152 -2.338 129 HZ2 LYS 19 HZ2 LYS 19 -9.786 -8.054 -3.496 130 HZ3 LYS 19 HZ3 LYS 19 -11.364 -7.521 -3.816 131 H ASP 20 H ASP 20 -6.577 -1.073 -3.984 132 HA ASP 20 HA ASP 20 -3.740 -1.235 -4.051 133 HB2 ASP 20 HB2 ASP 20 -5.585 0.133 -2.081 134 HB3 ASP 20 HB3 ASP 20 -3.840 0.359 -2.149 135 H THR 21 H THR 21 -2.376 -2.447 -2.921 136 HA THR 21 HA THR 21 -3.356 -3.808 -0.501 137 HB THR 21 HB THR 21 -2.132 -5.834 -1.023 138 HG1 THR 21 HG1 THR 21 -1.053 -4.260 -3.018 139 HG21 THR 21 HG21 THR 21 -3.350 -6.656 -2.987 140 HG22 THR 21 HG22 THR 21 -3.831 -5.001 -3.366 141 HG23 THR 21 HG23 THR 21 -4.394 -5.763 -1.879 142 H VAL 22 H VAL 22 -1.813 -4.172 1.100 143 HA VAL 22 HA VAL 22 0.722 -2.728 0.716 144 HB VAL 22 HB VAL 22 -1.027 -2.481 3.185 145 HG11 VAL 22 HG11 VAL 22 1.643 -1.210 2.575 146 HG12 VAL 22 HG12 VAL 22 1.360 -2.501 3.744 147 HG13 VAL 22 HG13 VAL 22 0.651 -0.905 4.002 148 HG21 VAL 22 HG21 VAL 22 -0.258 -0.414 1.121 149 HG22 VAL 22 HG22 VAL 22 -1.182 -0.108 2.592 150 HG23 VAL 22 HG23 VAL 22 -1.856 -1.131 1.323 151 H THR 23 H THR 23 2.307 -4.051 0.962 152 HA THR 23 HA THR 23 1.978 -6.439 2.624 153 HB THR 23 HB THR 23 4.075 -5.904 0.514 154 HG1 THR 23 HG1 THR 23 2.532 -6.242 -0.878 155 HG21 THR 23 HG21 THR 23 4.618 -7.658 2.137 156 HG22 THR 23 HG22 THR 23 4.346 -8.322 0.524 157 HG23 THR 23 HG23 THR 23 3.097 -8.467 1.760 158 H ILE 24 H ILE 24 2.893 -6.288 4.578 159 HA ILE 24 HA ILE 24 5.126 -4.464 5.074 160 HB ILE 24 HB ILE 24 3.415 -6.004 7.049 161 HG12 ILE 24 HG12 ILE 24 2.082 -4.386 5.743 162 HG13 ILE 24 HG13 ILE 24 2.174 -3.960 7.450 163 HG21 ILE 24 HG21 ILE 24 5.565 -5.397 7.986 164 HG22 ILE 24 HG22 ILE 24 4.281 -4.441 8.726 165 HG23 ILE 24 HG23 ILE 24 5.326 -3.716 7.504 166 HD11 ILE 24 HD11 ILE 24 3.752 -2.694 5.214 167 HD12 ILE 24 HD12 ILE 24 3.859 -2.257 6.920 168 HD13 ILE 24 HD13 ILE 24 2.357 -1.992 6.033 169 H GLU 25 H GLU 25 7.128 -5.359 4.968 170 HA GLU 25 HA GLU 25 7.456 -8.207 5.556 171 HB2 GLU 25 HB2 GLU 25 8.522 -7.519 3.500 172 HB3 GLU 25 HB3 GLU 25 9.335 -6.190 4.308 173 HG2 GLU 25 HG2 GLU 25 10.737 -7.688 5.520 174 HG3 GLU 25 HG3 GLU 25 9.852 -9.094 4.933 175 H VAL 26 H VAL 26 7.836 -8.748 7.520 176 HA VAL 26 HA VAL 26 9.151 -6.850 9.339 177 HB VAL 26 HB VAL 26 7.266 -9.130 10.030 178 HG11 VAL 26 HG11 VAL 26 7.187 -8.137 12.268 179 HG12 VAL 26 HG12 VAL 26 8.399 -6.951 11.780 180 HG13 VAL 26 HG13 VAL 26 8.817 -8.663 11.847 181 HG21 VAL 26 HG21 VAL 26 6.773 -6.157 9.988 182 HG22 VAL 26 HG22 VAL 26 5.638 -7.383 10.556 183 HG23 VAL 26 HG23 VAL 26 6.113 -7.338 8.857 184 H LYS 27 H LYS 27 10.941 -7.394 10.347 185 HA LYS 27 HA LYS 27 11.821 -10.152 10.613 186 HB2 LYS 27 HB2 LYS 27 12.740 -9.468 8.443 187 HB3 LYS 27 HB3 LYS 27 13.413 -8.018 9.161 188 HG2 LYS 27 HG2 LYS 27 14.891 -9.452 10.541 189 HG3 LYS 27 HG3 LYS 27 14.252 -10.858 9.683 190 HD2 LYS 27 HD2 LYS 27 15.027 -9.930 7.565 191 HD3 LYS 27 HD3 LYS 27 15.657 -8.513 8.407 192 HE2 LYS 27 HE2 LYS 27 17.475 -10.010 7.953 193 HE3 LYS 27 HE3 LYS 27 17.164 -10.010 9.688 194 HZ1 LYS 27 HZ1 LYS 27 16.258 -12.086 7.763 195 HZ2 LYS 27 HZ2 LYS 27 15.962 -12.097 9.432 196 HZ3 LYS 27 HZ3 LYS 27 17.543 -12.243 8.854 197 H ASN 28 H ASN 28 12.846 -10.388 12.542 198 HA ASN 28 HA ASN 28 13.678 -9.979 14.614 199 HB2 ASN 28 HB2 ASN 28 14.492 -7.309 13.445 200 HB3 ASN 28 HB3 ASN 28 14.932 -7.849 15.063 201 HD21 ASN 28 HD21 ASN 28 16.506 -7.200 12.630 202 HD22 ASN 28 HD22 ASN 28 17.513 -8.585 12.379 203 H GLY 29 H GLY 29 10.901 -9.229 13.825 204 HA2 GLY 29 HA2 GLY 29 9.074 -8.546 15.075 205 HA3 GLY 29 HA3 GLY 29 10.170 -7.831 16.238 206 H LYS 30 H LYS 30 11.236 -6.552 13.443 207 HA LYS 30 HA LYS 30 9.429 -4.241 13.713 208 HB2 LYS 30 HB2 LYS 30 11.289 -2.770 13.377 209 HB3 LYS 30 HB3 LYS 30 11.740 -3.907 14.638 210 HG2 LYS 30 HG2 LYS 30 13.018 -5.203 12.984 211 HG3 LYS 30 HG3 LYS 30 12.591 -4.017 11.752 212 HD2 LYS 30 HD2 LYS 30 14.730 -3.395 12.438 213 HD3 LYS 30 HD3 LYS 30 13.657 -2.294 13.303 214 HE2 LYS 30 HE2 LYS 30 13.852 -3.610 15.311 215 HE3 LYS 30 HE3 LYS 30 14.790 -4.836 14.456 216 HZ1 LYS 30 HZ1 LYS 30 16.505 -3.150 14.061 217 HZ2 LYS 30 HZ2 LYS 30 16.244 -3.419 15.712 218 HZ3 LYS 30 HZ3 LYS 30 15.613 -2.032 14.973 219 H ILE 31 H ILE 31 9.255 -2.867 11.785 220 HA ILE 31 HA ILE 31 8.999 -4.431 9.374 221 HB ILE 31 HB ILE 31 8.691 -1.434 9.673 222 HG12 ILE 31 HG12 ILE 31 6.504 -3.519 9.856 223 HG13 ILE 31 HG13 ILE 31 7.240 -2.754 11.260 224 HG21 ILE 31 HG21 ILE 31 8.909 -2.211 7.373 225 HG22 ILE 31 HG22 ILE 31 7.267 -1.645 7.687 226 HG23 ILE 31 HG23 ILE 31 7.605 -3.375 7.628 227 HD11 ILE 31 HD11 ILE 31 6.441 -0.590 10.527 228 HD12 ILE 31 HD12 ILE 31 5.102 -1.733 10.656 229 HD13 ILE 31 HD13 ILE 31 5.761 -1.316 9.072 230 H VAL 32 H VAL 32 10.740 -4.879 8.163 231 HA VAL 32 HA VAL 32 12.983 -3.004 8.203 232 HB VAL 32 HB VAL 32 14.287 -4.805 7.084 233 HG11 VAL 32 HG11 VAL 32 12.969 -5.561 9.689 234 HG12 VAL 32 HG12 VAL 32 14.378 -4.518 9.493 235 HG13 VAL 32 HG13 VAL 32 14.480 -6.227 9.070 236 HG21 VAL 32 HG21 VAL 32 11.822 -6.481 7.573 237 HG22 VAL 32 HG22 VAL 32 13.394 -7.093 7.055 238 HG23 VAL 32 HG23 VAL 32 12.473 -6.020 5.999 239 H SER 33 H SER 33 10.405 -4.019 6.201 240 HA SER 33 HA SER 33 11.124 -2.202 4.116 241 HB2 SER 33 HB2 SER 33 12.531 -4.277 3.621 242 HB3 SER 33 HB3 SER 33 11.015 -5.127 3.340 243 HG SER 33 HG SER 33 12.000 -4.278 1.422 244 H VAL 34 H VAL 34 9.429 -2.275 2.377 245 HA VAL 34 HA VAL 34 6.963 -3.595 3.052 246 HB VAL 34 HB VAL 34 6.707 -1.723 4.525 247 HG11 VAL 34 HG11 VAL 34 8.349 -0.250 3.604 248 HG12 VAL 34 HG12 VAL 34 6.805 0.593 3.757 249 HG13 VAL 34 HG13 VAL 34 7.348 0.016 2.178 250 HG21 VAL 34 HG21 VAL 34 5.080 -1.221 2.035 251 HG22 VAL 34 HG22 VAL 34 4.734 -0.555 3.630 252 HG23 VAL 34 HG23 VAL 34 4.657 -2.297 3.367 253 H ASP 35 H ASP 35 5.679 -3.874 1.389 254 HA ASP 35 HA ASP 35 6.712 -3.164 -1.266 255 HB2 ASP 35 HB2 ASP 35 6.903 -5.528 -0.814 256 HB3 ASP 35 HB3 ASP 35 5.247 -5.610 -0.243 257 H TRP 36 H TRP 36 5.488 -1.825 -2.377 258 HA TRP 36 HA TRP 36 2.632 -1.677 -1.836 259 HB2 TRP 36 HB2 TRP 36 2.821 0.259 -3.585 260 HB3 TRP 36 HB3 TRP 36 3.364 0.510 -1.933 261 HD1 TRP 36 HD1 TRP 36 5.967 0.831 -1.534 262 HE1 TRP 36 HE1 TRP 36 7.910 1.435 -3.099 263 HE3 TRP 36 HE3 TRP 36 3.694 -0.064 -6.034 264 HZ2 TRP 36 HZ2 TRP 36 8.410 1.534 -5.868 265 HZ3 TRP 36 HZ3 TRP 36 4.983 0.316 -8.092 266 HH2 TRP 36 HH2 TRP 36 7.290 1.098 -8.010 267 H ASN 37 H ASN 37 1.139 -2.458 -3.162 268 HA ASN 37 HA ASN 37 1.843 -3.379 -5.827 269 HB2 ASN 37 HB2 ASN 37 2.392 -5.074 -3.800 270 HB3 ASN 37 HB3 ASN 37 0.698 -5.465 -4.028 271 HD21 ASN 37 HD21 ASN 37 3.291 -6.878 -4.474 272 HD22 ASN 37 HD22 ASN 37 3.177 -7.504 -6.086 273 H ALA 38 H ALA 38 -0.131 -4.293 -6.921 274 HA ALA 38 HA ALA 38 -2.675 -3.719 -5.633 275 HB1 ALA 38 HB1 ALA 38 -3.470 -2.356 -7.494 276 HB2 ALA 38 HB2 ALA 38 -1.883 -2.457 -8.259 277 HB3 ALA 38 HB3 ALA 38 -2.069 -1.612 -6.722 278 H ILE 39 H ILE 39 -4.453 -4.746 -6.643 279 HA ILE 39 HA ILE 39 -3.695 -7.020 -8.372 280 HB ILE 39 HB ILE 39 -6.292 -6.839 -6.846 281 HG12 ILE 39 HG12 ILE 39 -3.773 -8.132 -5.779 282 HG13 ILE 39 HG13 ILE 39 -4.323 -6.537 -5.279 283 HG21 ILE 39 HG21 ILE 39 -6.109 -8.540 -8.581 284 HG22 ILE 39 HG22 ILE 39 -6.162 -9.295 -6.987 285 HG23 ILE 39 HG23 ILE 39 -4.627 -9.155 -7.845 286 HD11 ILE 39 HD11 ILE 39 -6.385 -7.511 -4.426 287 HD12 ILE 39 HD12 ILE 39 -4.964 -8.236 -3.673 288 HD13 ILE 39 HD13 ILE 39 -5.839 -9.110 -4.931 289 H ASN 40 H ASN 40 -4.746 -7.331 -10.317 290 HA ASN 40 HA ASN 40 -6.030 -4.977 -11.386 291 HB2 ASN 40 HB2 ASN 40 -4.263 -6.255 -12.596 292 HB3 ASN 40 HB3 ASN 40 -5.389 -7.599 -12.752 293 HD21 ASN 40 HD21 ASN 40 -4.748 -4.278 -13.685 294 HD22 ASN 40 HD22 ASN 40 -5.721 -4.304 -15.113 295 H LYS 41 H LYS 41 -8.055 -4.688 -11.933 296 HA LYS 41 HA LYS 41 -10.122 -6.165 -10.702 297 HB2 LYS 41 HB2 LYS 41 -10.232 -3.760 -11.055 298 HB3 LYS 41 HB3 LYS 41 -10.217 -3.988 -12.795 299 HG2 LYS 41 HG2 LYS 41 -12.396 -5.227 -12.537 300 HG3 LYS 41 HG3 LYS 41 -12.410 -4.671 -10.859 301 HD2 LYS 41 HD2 LYS 41 -12.452 -2.386 -11.538 302 HD3 LYS 41 HD3 LYS 41 -12.154 -2.821 -13.221 303 HE2 LYS 41 HE2 LYS 41 -14.321 -3.964 -13.295 304 HE3 LYS 41 HE3 LYS 41 -14.620 -3.494 -11.621 305 HZ1 LYS 41 HZ1 LYS 41 -14.486 -1.169 -12.312 306 HZ2 LYS 41 HZ2 LYS 41 -15.719 -1.989 -13.127 307 HZ3 LYS 41 HZ3 LYS 41 -14.264 -1.650 -13.920 308 H ASP 42 H ASP 42 -8.975 -6.055 -14.025 309 HA ASP 42 HA ASP 42 -11.065 -7.538 -15.233 310 HB2 ASP 42 HB2 ASP 42 -9.660 -6.204 -16.630 311 HB3 ASP 42 HB3 ASP 42 -8.201 -6.961 -16.009 312 H GLY 43 H GLY 43 -8.049 -8.454 -13.656 313 HA2 GLY 43 HA2 GLY 43 -7.897 -10.468 -12.407 314 HA3 GLY 43 HA3 GLY 43 -9.126 -11.165 -13.451 315 H GLY 44 H GLY 44 -6.417 -9.420 -14.780 316 HA2 GLY 44 HA2 GLY 44 -5.410 -11.745 -16.123 317 HA3 GLY 44 HA3 GLY 44 -4.682 -10.142 -16.121 318 H ASP 45 H ASP 45 -3.139 -9.637 -14.622 319 HA ASP 45 HA ASP 45 -2.479 -11.678 -12.596 320 HB2 ASP 45 HB2 ASP 45 -0.545 -9.973 -14.199 321 HB3 ASP 45 HB3 ASP 45 -0.079 -10.978 -12.833 322 H ASP 46 H ASP 46 -0.541 -10.246 -11.221 323 HA ASP 46 HA ASP 46 -1.995 -7.966 -10.100 324 HB2 ASP 46 HB2 ASP 46 0.662 -9.221 -9.325 325 HB3 ASP 46 HB3 ASP 46 -0.089 -7.874 -8.478 326 H LYS 47 H LYS 47 -0.321 -5.999 -9.616 327 HA LYS 47 HA LYS 47 0.320 -5.042 -12.221 328 HB2 LYS 47 HB2 LYS 47 1.162 -2.997 -11.090 329 HB3 LYS 47 HB3 LYS 47 -0.481 -3.427 -10.681 330 HG2 LYS 47 HG2 LYS 47 0.340 -2.766 -8.662 331 HG3 LYS 47 HG3 LYS 47 0.628 -4.502 -8.586 332 HD2 LYS 47 HD2 LYS 47 2.545 -3.175 -7.776 333 HD3 LYS 47 HD3 LYS 47 2.951 -4.180 -9.170 334 HE2 LYS 47 HE2 LYS 47 2.704 -2.245 -10.643 335 HE3 LYS 47 HE3 LYS 47 2.304 -1.233 -9.255 336 HZ1 LYS 47 HZ1 LYS 47 4.876 -2.668 -9.671 337 HZ2 LYS 47 HZ2 LYS 47 4.499 -1.706 -8.330 338 HZ3 LYS 47 HZ3 LYS 47 4.626 -1.003 -9.867 339 H ASP 48 H ASP 48 2.203 -6.641 -9.810 340 HA ASP 48 HA ASP 48 4.763 -6.001 -10.867 341 HB2 ASP 48 HB2 ASP 48 4.349 -6.921 -8.579 342 HB3 ASP 48 HB3 ASP 48 3.934 -8.461 -9.316 343 H THR 49 H THR 49 2.660 -8.865 -11.189 344 HA THR 49 HA THR 49 4.421 -10.249 -12.927 345 HB THR 49 HB THR 49 1.492 -10.880 -12.661 346 HG1 THR 49 HG1 THR 49 3.570 -11.085 -10.742 347 HG21 THR 49 HG21 THR 49 2.328 -13.199 -12.744 348 HG22 THR 49 HG22 THR 49 3.978 -12.593 -12.882 349 HG23 THR 49 HG23 THR 49 2.815 -12.284 -14.171 350 H LEU 50 H LEU 50 1.649 -8.142 -13.528 351 HA LEU 50 HA LEU 50 1.421 -8.659 -16.307 352 HB2 LEU 50 HB2 LEU 50 0.639 -6.294 -14.628 353 HB3 LEU 50 HB3 LEU 50 0.441 -6.286 -16.370 354 HG LEU 50 HG LEU 50 -0.829 -8.287 -14.508 355 HD11 LEU 50 HD11 LEU 50 -2.008 -5.902 -15.913 356 HD12 LEU 50 HD12 LEU 50 -1.736 -6.055 -14.177 357 HD13 LEU 50 HD13 LEU 50 -2.908 -7.099 -14.983 358 HD21 LEU 50 HD21 LEU 50 -0.460 -9.205 -16.720 359 HD22 LEU 50 HD22 LEU 50 -1.190 -7.779 -17.461 360 HD23 LEU 50 HD23 LEU 50 -2.176 -8.870 -16.483 361 H SER 51 H SER 51 3.479 -6.460 -14.464 362 HA SER 51 HA SER 51 4.636 -5.212 -16.749 363 HB2 SER 51 HB2 SER 51 5.677 -5.450 -13.918 364 HB3 SER 51 HB3 SER 51 6.354 -4.400 -15.163 365 HG SER 51 HG SER 51 4.098 -4.084 -13.626 366 H ARG 52 H ARG 52 5.309 -8.200 -15.020 367 HA ARG 52 HA ARG 52 7.923 -8.649 -16.109 368 HB2 ARG 52 HB2 ARG 52 5.984 -10.754 -15.119 369 HB3 ARG 52 HB3 ARG 52 7.723 -10.920 -15.292 370 HG2 ARG 52 HG2 ARG 52 6.287 -9.151 -13.325 371 HG3 ARG 52 HG3 ARG 52 7.098 -10.677 -12.972 372 HD2 ARG 52 HD2 ARG 52 9.236 -9.732 -13.504 373 HD3 ARG 52 HD3 ARG 52 8.484 -8.247 -14.094 374 HE ARG 52 HE ARG 52 7.686 -8.640 -11.437 375 HH11 ARG 52 HH11 ARG 52 10.664 -7.930 -13.182 376 HH12 ARG 52 HH12 ARG 52 11.337 -7.008 -11.877 377 HH21 ARG 52 HH21 ARG 52 8.569 -7.415 -9.764 378 HH22 ARG 52 HH22 ARG 52 10.146 -6.700 -9.950 379 H ASN 53 H ASN 53 4.661 -9.596 -17.049 380 HA ASN 53 HA ASN 53 5.480 -11.147 -19.319 381 HB2 ASN 53 HB2 ASN 53 2.797 -10.016 -18.505 382 HB3 ASN 53 HB3 ASN 53 3.036 -11.054 -19.904 383 HD21 ASN 53 HD21 ASN 53 1.440 -11.464 -17.494 384 HD22 ASN 53 HD22 ASN 53 2.010 -12.942 -16.802 385 H GLY 54 H GLY 54 4.795 -7.815 -18.753 386 HA2 GLY 54 HA2 GLY 54 5.082 -5.992 -20.184 387 HA3 GLY 54 HA3 GLY 54 5.299 -7.106 -21.526 388 H GLY 55 H GLY 55 2.616 -7.526 -19.405 389 HA2 GLY 55 HA2 GLY 55 0.796 -6.470 -21.473 390 HA3 GLY 55 HA3 GLY 55 0.456 -7.905 -20.520 391 H TYR 56 H TYR 56 1.869 -4.911 -19.348 392 HA TYR 56 HA TYR 56 -0.103 -4.726 -17.266 393 HB2 TYR 56 HB2 TYR 56 2.149 -4.180 -16.655 394 HB3 TYR 56 HB3 TYR 56 2.316 -3.052 -17.988 395 HD1 TYR 56 HD2 TYR 56 0.275 -3.517 -14.864 396 HD2 TYR 56 HD1 TYR 56 2.127 -0.813 -17.573 397 HE1 TYR 56 HE2 TYR 56 -0.347 -1.633 -13.417 398 HE2 TYR 56 HE1 TYR 56 1.507 1.066 -16.131 399 HH TYR 56 HH TYR 56 -0.162 1.603 -14.428 400 H LYS 57 H LYS 57 -2.008 -4.390 -18.251 401 HA LYS 57 HA LYS 57 -2.395 -1.721 -19.410 402 HB2 LYS 57 HB2 LYS 57 -3.748 -4.336 -20.062 403 HB3 LYS 57 HB3 LYS 57 -4.488 -2.792 -20.456 404 HG2 LYS 57 HG2 LYS 57 -1.741 -3.586 -21.395 405 HG3 LYS 57 HG3 LYS 57 -3.214 -3.898 -22.316 406 HD2 LYS 57 HD2 LYS 57 -3.691 -1.543 -22.437 407 HD3 LYS 57 HD3 LYS 57 -2.332 -1.177 -21.376 408 HE2 LYS 57 HE2 LYS 57 -2.082 -2.459 -24.095 409 HE3 LYS 57 HE3 LYS 57 -1.884 -0.737 -23.779 410 HZ1 LYS 57 HZ1 LYS 57 -0.064 -1.328 -22.236 411 HZ2 LYS 57 HZ2 LYS 57 0.251 -1.757 -23.842 412 HZ3 LYS 57 HZ3 LYS 57 -0.206 -2.946 -22.726 413 H MET 58 H MET 58 -3.777 -0.446 -18.468 414 HA MET 58 HA MET 58 -5.187 -1.390 -16.084 415 HB2 MET 58 HB2 MET 58 -4.873 1.447 -17.093 416 HB3 MET 58 HB3 MET 58 -5.410 0.942 -15.495 417 HG2 MET 58 HG2 MET 58 -3.197 -0.023 -15.072 418 HG3 MET 58 HG3 MET 58 -2.662 0.537 -16.655 419 HE1 MET 58 HE1 MET 58 -4.120 3.371 -16.837 420 HE2 MET 58 HE2 MET 58 -2.441 3.107 -17.312 421 HE3 MET 58 HE3 MET 58 -2.849 4.428 -16.218 422 H VAL 59 H VAL 59 -7.502 -0.351 -15.831 423 HA VAL 59 HA VAL 59 -8.846 -0.990 -18.327 424 HB VAL 59 HB VAL 59 -10.890 -1.258 -17.178 425 HG11 VAL 59 HG11 VAL 59 -9.343 -3.084 -16.847 426 HG12 VAL 59 HG12 VAL 59 -10.359 -2.880 -15.420 427 HG13 VAL 59 HG13 VAL 59 -8.692 -2.305 -15.404 428 HG21 VAL 59 HG21 VAL 59 -11.273 -0.698 -14.832 429 HG22 VAL 59 HG22 VAL 59 -10.885 0.735 -15.783 430 HG23 VAL 59 HG23 VAL 59 -9.662 0.016 -14.735 431 H GLU 60 H GLU 60 -7.909 1.795 -16.629 432 HA GLU 60 HA GLU 60 -9.459 3.411 -18.528 433 HB2 GLU 60 HB2 GLU 60 -8.800 4.105 -15.670 434 HB3 GLU 60 HB3 GLU 60 -9.392 5.267 -16.846 435 HG2 GLU 60 HG2 GLU 60 -11.398 3.771 -17.127 436 HG3 GLU 60 HG3 GLU 60 -10.820 2.889 -15.713 437 H TYR 61 H TYR 61 -8.392 4.962 -19.590 438 HA TYR 61 HA TYR 61 -5.616 5.520 -18.811 439 HB2 TYR 61 HB2 TYR 61 -6.677 4.811 -21.526 440 HB3 TYR 61 HB3 TYR 61 -5.278 5.876 -21.390 441 HD1 TYR 61 HD1 TYR 61 -3.178 5.063 -20.486 442 HD2 TYR 61 HD2 TYR 61 -6.515 2.462 -20.904 443 HE1 TYR 61 HE1 TYR 61 -1.710 3.131 -20.130 444 HE2 TYR 61 HE2 TYR 61 -5.052 0.520 -20.550 445 HH TYR 61 HH TYR 61 -1.785 0.881 -19.458 446 H GLY 62 H GLY 62 -8.552 6.763 -18.891 447 HA2 GLY 62 HA2 GLY 62 -7.670 9.477 -19.614 448 HA3 GLY 62 HA3 GLY 62 -9.337 8.976 -19.366 449 H GLY 63 H GLY 63 -7.414 7.573 -17.036 450 HA2 GLY 63 HA2 GLY 63 -8.204 9.589 -15.045 451 HA3 GLY 63 HA3 GLY 63 -7.867 7.896 -14.708 452 H ALA 64 H ALA 64 -6.268 8.109 -13.213 453 HA ALA 64 HA ALA 64 -3.726 9.248 -14.105 454 HB1 ALA 64 HB1 ALA 64 -3.438 10.515 -12.043 455 HB2 ALA 64 HB2 ALA 64 -5.054 10.041 -11.517 456 HB3 ALA 64 HB3 ALA 64 -4.856 11.077 -12.931 457 H GLN 65 H GLN 65 -2.132 8.932 -12.038 458 HA GLN 65 HA GLN 65 -2.455 6.122 -11.255 459 HB2 GLN 65 HB2 GLN 65 0.062 7.811 -11.341 460 HB3 GLN 65 HB3 GLN 65 -0.009 6.133 -10.819 461 HG2 GLN 65 HG2 GLN 65 -0.771 7.103 -13.569 462 HG3 GLN 65 HG3 GLN 65 0.799 6.420 -13.144 463 HE21 GLN 65 HE21 GLN 65 -2.609 5.768 -13.482 464 HE22 GLN 65 HE22 GLN 65 -2.483 4.052 -13.587 465 H ALA 66 H ALA 66 -3.897 6.564 -9.637 466 HA ALA 66 HA ALA 66 -2.885 8.028 -7.298 467 HB1 ALA 66 HB1 ALA 66 -5.197 8.007 -6.526 468 HB2 ALA 66 HB2 ALA 66 -5.667 7.036 -7.921 469 HB3 ALA 66 HB3 ALA 66 -5.085 8.685 -8.150 470 H GLU 67 H GLU 67 -3.755 4.926 -8.514 471 HA GLU 67 HA GLU 67 -3.790 3.406 -6.138 472 HB2 GLU 67 HB2 GLU 67 -2.708 2.338 -8.735 473 HB3 GLU 67 HB3 GLU 67 -3.673 1.511 -7.525 474 HG2 GLU 67 HG2 GLU 67 -5.199 1.741 -9.211 475 HG3 GLU 67 HG3 GLU 67 -5.533 3.197 -8.279 476 H TRP 68 H TRP 68 -2.012 1.782 -5.560 477 HA TRP 68 HA TRP 68 0.256 3.368 -4.959 478 HB2 TRP 68 HB2 TRP 68 -0.297 0.475 -4.313 479 HB3 TRP 68 HB3 TRP 68 1.119 1.359 -3.748 480 HD1 TRP 68 HD1 TRP 68 -1.576 0.196 -2.072 481 HE1 TRP 68 HE1 TRP 68 -2.685 1.826 -0.419 482 HE3 TRP 68 HE3 TRP 68 0.365 4.619 -3.808 483 HZ2 TRP 68 HZ2 TRP 68 -2.726 4.608 0.076 484 HZ3 TRP 68 HZ3 TRP 68 -0.257 6.697 -2.669 485 HH2 TRP 68 HH2 TRP 68 -1.767 6.693 -0.774 486 H HIS 69 H HIS 69 1.524 3.948 -6.365 487 HA HIS 69 HA HIS 69 2.962 2.024 -8.051 488 HB2 HIS 69 HB2 HIS 69 1.649 4.622 -8.883 489 HB3 HIS 69 HB3 HIS 69 2.920 3.874 -9.837 490 HD1 HIS 69 HD1 HIS 69 -0.682 3.817 -9.256 491 HD2 HIS 69 HD2 HIS 69 2.161 1.284 -10.905 492 HE1 HIS 69 HE1 HIS 69 -1.975 2.154 -10.618 493 HE2 HIS 69 HE2 HIS 69 -0.213 0.855 -11.839 494 H GLU 70 H GLU 70 4.035 4.937 -9.043 495 HA GLU 70 HA GLU 70 6.391 4.589 -7.435 496 HB2 GLU 70 HB2 GLU 70 5.770 6.262 -9.848 497 HB3 GLU 70 HB3 GLU 70 7.247 6.518 -8.930 498 HG2 GLU 70 HG2 GLU 70 8.003 5.065 -10.510 499 HG3 GLU 70 HG3 GLU 70 7.532 3.931 -9.249 500 H GLN 71 H GLN 71 3.667 6.686 -7.201 501 HA GLN 71 HA GLN 71 4.984 8.675 -5.594 502 HB2 GLN 71 HB2 GLN 71 2.068 7.923 -5.804 503 HB3 GLN 71 HB3 GLN 71 2.665 9.250 -4.820 504 HG2 GLN 71 HG2 GLN 71 3.657 10.190 -6.953 505 HG3 GLN 71 HG3 GLN 71 2.686 8.990 -7.807 506 HE21 GLN 71 HE21 GLN 71 1.417 10.513 -8.824 507 HE22 GLN 71 HE22 GLN 71 0.238 11.458 -7.979 508 H ALA 72 H ALA 72 3.660 5.537 -5.109 509 HA ALA 72 HA ALA 72 3.426 5.600 -2.276 510 HB1 ALA 72 HB1 ALA 72 2.163 4.005 -3.626 511 HB2 ALA 72 HB2 ALA 72 3.154 3.199 -2.407 512 HB3 ALA 72 HB3 ALA 72 3.668 3.215 -4.094 513 H GLU 73 H GLU 73 6.089 5.117 -4.444 514 HA GLU 73 HA GLU 73 7.909 3.764 -2.802 515 HB2 GLU 73 HB2 GLU 73 8.256 4.209 -5.198 516 HB3 GLU 73 HB3 GLU 73 8.463 5.920 -4.854 517 HG2 GLU 73 HG2 GLU 73 10.413 5.286 -3.401 518 HG3 GLU 73 HG3 GLU 73 10.252 3.652 -4.033 519 H LYS 74 H LYS 74 7.024 7.198 -2.852 520 HA LYS 74 HA LYS 74 9.021 7.978 -0.952 521 HB2 LYS 74 HB2 LYS 74 6.498 9.321 -1.918 522 HB3 LYS 74 HB3 LYS 74 7.593 10.052 -0.755 523 HG2 LYS 74 HG2 LYS 74 8.424 9.184 -3.515 524 HG3 LYS 74 HG3 LYS 74 7.897 10.819 -3.110 525 HD2 LYS 74 HD2 LYS 74 9.728 10.848 -1.369 526 HD3 LYS 74 HD3 LYS 74 10.312 9.342 -2.079 527 HE2 LYS 74 HE2 LYS 74 9.925 11.865 -3.679 528 HE3 LYS 74 HE3 LYS 74 11.441 11.468 -2.872 529 HZ1 LYS 74 HZ1 LYS 74 10.102 9.810 -4.947 530 HZ2 LYS 74 HZ2 LYS 74 11.569 9.444 -4.179 531 HZ3 LYS 74 HZ3 LYS 74 11.459 10.796 -5.192 532 H VAL 75 H VAL 75 5.731 6.836 -0.781 533 HA VAL 75 HA VAL 75 5.247 7.499 1.956 534 HB VAL 75 HB VAL 75 3.762 5.424 0.335 535 HG11 VAL 75 HG11 VAL 75 1.861 6.093 1.710 536 HG12 VAL 75 HG12 VAL 75 2.893 7.228 2.581 537 HG13 VAL 75 HG13 VAL 75 3.200 5.493 2.688 538 HG21 VAL 75 HG21 VAL 75 3.879 7.456 -1.003 539 HG22 VAL 75 HG22 VAL 75 3.286 8.402 0.363 540 HG23 VAL 75 HG23 VAL 75 2.245 7.196 -0.393 541 H GLU 76 H GLU 76 6.354 4.591 0.262 542 HA GLU 76 HA GLU 76 6.194 2.848 2.489 543 HB2 GLU 76 HB2 GLU 76 7.558 1.286 1.163 544 HB3 GLU 76 HB3 GLU 76 6.204 1.931 0.252 545 HG2 GLU 76 HG2 GLU 76 7.621 2.420 -1.364 546 HG3 GLU 76 HG3 GLU 76 8.337 3.630 -0.305 547 H ALA 77 H ALA 77 8.841 4.842 1.227 548 HA ALA 77 HA ALA 77 10.838 3.999 3.013 549 HB1 ALA 77 HB1 ALA 77 11.961 6.081 2.451 550 HB2 ALA 77 HB2 ALA 77 10.469 6.703 1.743 551 HB3 ALA 77 HB3 ALA 77 11.287 5.321 1.010 552 H TYR 78 H TYR 78 8.282 6.366 3.277 553 HA TYR 78 HA TYR 78 9.005 7.467 5.778 554 HB2 TYR 78 HB2 TYR 78 7.474 8.524 4.144 555 HB3 TYR 78 HB3 TYR 78 6.290 7.263 4.463 556 HD1 TYR 78 HD2 TYR 78 8.070 10.135 5.980 557 HD2 TYR 78 HD1 TYR 78 4.813 7.423 6.284 558 HE1 TYR 78 HE2 TYR 78 7.088 11.517 7.761 559 HE2 TYR 78 HE1 TYR 78 3.821 8.800 8.055 560 HH TYR 78 HH TYR 78 4.450 10.466 9.678 561 H LEU 79 H LEU 79 7.007 4.678 4.864 562 HA LEU 79 HA LEU 79 5.965 4.126 7.437 563 HB2 LEU 79 HB2 LEU 79 5.088 3.271 5.263 564 HB3 LEU 79 HB3 LEU 79 6.467 2.212 5.150 565 HG LEU 79 HG LEU 79 4.183 1.255 5.889 566 HD11 LEU 79 HD11 LEU 79 6.212 -0.048 5.907 567 HD12 LEU 79 HD12 LEU 79 5.223 -0.410 7.323 568 HD13 LEU 79 HD13 LEU 79 6.652 0.617 7.482 569 HD21 LEU 79 HD21 LEU 79 5.087 2.421 8.517 570 HD22 LEU 79 HD22 LEU 79 3.778 1.253 8.305 571 HD23 LEU 79 HD23 LEU 79 3.643 2.869 7.610 572 H VAL 80 H VAL 80 8.888 3.006 5.770 573 HA VAL 80 HA VAL 80 9.727 1.176 7.754 574 HB VAL 80 HB VAL 80 11.415 2.647 5.704 575 HG11 VAL 80 HG11 VAL 80 13.055 0.856 5.988 576 HG12 VAL 80 HG12 VAL 80 12.075 0.157 7.277 577 HG13 VAL 80 HG13 VAL 80 12.815 1.743 7.495 578 HG21 VAL 80 HG21 VAL 80 10.184 -0.104 5.625 579 HG22 VAL 80 HG22 VAL 80 11.239 0.593 4.395 580 HG23 VAL 80 HG23 VAL 80 9.651 1.299 4.698 581 H GLU 81 H GLU 81 10.411 4.660 7.331 582 HA GLU 81 HA GLU 81 12.243 4.691 9.550 583 HB2 GLU 81 HB2 GLU 81 12.359 7.100 9.229 584 HB3 GLU 81 HB3 GLU 81 12.556 6.252 7.703 585 HG2 GLU 81 HG2 GLU 81 10.158 6.718 7.223 586 HG3 GLU 81 HG3 GLU 81 10.115 7.701 8.682 587 H LYS 82 H LYS 82 8.789 5.155 9.215 588 HA LYS 82 HA LYS 82 8.433 6.378 11.786 589 HB2 LYS 82 HB2 LYS 82 6.525 5.090 9.846 590 HB3 LYS 82 HB3 LYS 82 5.998 5.609 11.437 591 HG2 LYS 82 HG2 LYS 82 7.390 7.518 9.610 592 HG3 LYS 82 HG3 LYS 82 5.682 7.162 9.393 593 HD2 LYS 82 HD2 LYS 82 5.744 9.101 10.713 594 HD3 LYS 82 HD3 LYS 82 5.389 7.792 11.835 595 HE2 LYS 82 HE2 LYS 82 7.715 7.757 12.554 596 HE3 LYS 82 HE3 LYS 82 8.107 9.026 11.392 597 HZ1 LYS 82 HZ1 LYS 82 7.775 9.863 13.661 598 HZ2 LYS 82 HZ2 LYS 82 6.166 9.319 13.616 599 HZ3 LYS 82 HZ3 LYS 82 6.683 10.535 12.552 600 H GLN 83 H GLN 83 8.463 3.109 10.571 601 HA GLN 83 HA GLN 83 8.575 1.068 11.542 602 HB2 GLN 83 HB2 GLN 83 9.213 2.730 13.973 603 HB3 GLN 83 HB3 GLN 83 9.141 0.977 14.034 604 HG2 GLN 83 HG2 GLN 83 10.908 2.443 12.104 605 HG3 GLN 83 HG3 GLN 83 11.420 2.036 13.741 606 HE21 GLN 83 HE21 GLN 83 10.530 0.781 10.623 607 HE22 GLN 83 HE22 GLN 83 11.170 -0.811 10.866 608 H ASP 84 H ASP 84 6.027 2.726 11.513 609 HA ASP 84 HA ASP 84 4.371 0.997 13.106 610 HB2 ASP 84 HB2 ASP 84 5.211 2.733 14.730 611 HB3 ASP 84 HB3 ASP 84 4.423 3.962 13.747 612 HA PRO 85 HA PRO 85 1.981 2.078 9.473 613 HB2 PRO 85 HB2 PRO 85 0.030 0.291 9.761 614 HB3 PRO 85 HB3 PRO 85 1.695 -0.215 9.438 615 HG2 PRO 85 HG2 PRO 85 0.241 -0.100 12.065 616 HG3 PRO 85 HG3 PRO 85 1.187 -1.436 11.377 617 HD2 PRO 85 HD2 PRO 85 2.215 0.303 13.184 618 HD3 PRO 85 HD3 PRO 85 3.198 -0.461 11.919 619 H THR 86 H THR 86 1.053 2.930 12.619 620 HA THR 86 HA THR 86 -1.414 4.134 11.567 621 HB THR 86 HB THR 86 -2.039 2.320 13.072 622 HG1 THR 86 HG1 THR 86 -2.556 4.973 13.828 623 HG21 THR 86 HG21 THR 86 -0.090 2.225 14.514 624 HG22 THR 86 HG22 THR 86 -1.564 2.404 15.467 625 HG23 THR 86 HG23 THR 86 -0.508 3.793 15.206 626 H ASP 87 H ASP 87 1.624 4.835 12.587 627 HA ASP 87 HA ASP 87 0.956 7.294 13.982 628 HB2 ASP 87 HB2 ASP 87 2.950 5.909 14.639 629 HB3 ASP 87 HB3 ASP 87 3.683 6.314 13.091 630 H ILE 88 H ILE 88 -0.183 8.400 12.468 631 HA ILE 88 HA ILE 88 1.228 10.009 10.621 632 HB ILE 88 HB ILE 88 1.181 7.959 9.244 633 HG12 ILE 88 HG12 ILE 88 0.029 8.879 7.221 634 HG13 ILE 88 HG13 ILE 88 -0.641 10.147 8.237 635 HG21 ILE 88 HG21 ILE 88 -1.819 8.124 9.444 636 HG22 ILE 88 HG22 ILE 88 -0.789 6.876 10.144 637 HG23 ILE 88 HG23 ILE 88 -0.919 7.031 8.391 638 HD11 ILE 88 HD11 ILE 88 1.597 10.954 8.724 639 HD12 ILE 88 HD12 ILE 88 1.290 10.919 6.987 640 HD13 ILE 88 HD13 ILE 88 2.282 9.666 7.732 641 H LYS 89 H LYS 89 0.176 11.812 10.263 642 HA LYS 89 HA LYS 89 -2.665 11.926 10.934 643 HB2 LYS 89 HB2 LYS 89 -0.480 13.794 11.845 644 HB3 LYS 89 HB3 LYS 89 -2.179 14.203 11.918 645 HG2 LYS 89 HG2 LYS 89 -2.564 12.232 13.356 646 HG3 LYS 89 HG3 LYS 89 -0.828 11.923 13.336 647 HD2 LYS 89 HD2 LYS 89 -0.488 14.192 14.314 648 HD3 LYS 89 HD3 LYS 89 -2.242 14.329 14.475 649 HE2 LYS 89 HE2 LYS 89 -2.245 12.294 15.862 650 HE3 LYS 89 HE3 LYS 89 -0.487 12.234 15.747 651 HZ1 LYS 89 HZ1 LYS 89 -0.451 14.465 16.784 652 HZ2 LYS 89 HZ2 LYS 89 -1.073 13.259 17.794 653 HZ3 LYS 89 HZ3 LYS 89 -2.123 14.347 17.030 654 H TYR 90 H TYR 90 -3.893 12.960 9.557 655 HA TYR 90 HA TYR 90 -2.587 14.208 7.228 656 HB2 TYR 90 HB2 TYR 90 -5.417 13.120 7.366 657 HB3 TYR 90 HB3 TYR 90 -4.554 13.638 5.924 658 HD1 TYR 90 HD2 TYR 90 -2.330 12.361 5.412 659 HD2 TYR 90 HD1 TYR 90 -5.447 10.869 7.879 660 HE1 TYR 90 HE2 TYR 90 -1.475 10.075 5.094 661 HE2 TYR 90 HE1 TYR 90 -4.602 8.581 7.577 662 HH TYR 90 HH TYR 90 -3.241 7.295 6.165 663 H LYS 91 H LYS 91 -3.158 16.200 6.536 664 HA LYS 91 HA LYS 91 -5.149 17.653 8.136 665 HB2 LYS 91 HB2 LYS 91 -3.651 19.667 7.046 666 HB3 LYS 91 HB3 LYS 91 -3.442 19.043 8.668 667 HG2 LYS 91 HG2 LYS 91 -1.285 19.226 7.716 668 HG3 LYS 91 HG3 LYS 91 -1.669 17.513 7.758 669 HD2 LYS 91 HD2 LYS 91 -0.577 17.998 5.681 670 HD3 LYS 91 HD3 LYS 91 -2.268 17.648 5.336 671 HE2 LYS 91 HE2 LYS 91 -1.495 19.529 4.010 672 HE3 LYS 91 HE3 LYS 91 -2.720 20.056 5.160 673 HZ1 LYS 91 HZ1 LYS 91 -0.922 21.622 5.071 674 HZ2 LYS 91 HZ2 LYS 91 0.215 20.417 5.436 675 HZ3 LYS 91 HZ3 LYS 91 -0.939 20.875 6.591 676 H ASP 92 H ASP 92 -6.855 17.015 6.687 677 HA ASP 92 HA ASP 92 -7.036 18.352 4.209 678 HB2 ASP 92 HB2 ASP 92 -5.324 16.504 3.769 679 HB3 ASP 92 HB3 ASP 92 -6.624 15.356 4.045 680 H ASN 93 H ASN 93 -9.050 17.481 3.016 681 HA ASN 93 HA ASN 93 -10.999 16.462 4.953 682 HB2 ASN 93 HB2 ASN 93 -11.362 17.667 2.202 683 HB3 ASN 93 HB3 ASN 93 -12.679 16.973 3.141 684 HD21 ASN 93 HD21 ASN 93 -12.422 19.667 2.224 685 HD22 ASN 93 HD22 ASN 93 -12.398 20.680 3.626 686 H ASP 94 H ASP 94 -8.795 15.047 3.125 687 HA ASP 94 HA ASP 94 -10.511 12.700 2.729 688 HB2 ASP 94 HB2 ASP 94 -9.723 13.876 0.501 689 HB3 ASP 94 HB3 ASP 94 -8.169 13.169 0.893 690 H GLY 95 H GLY 95 -7.057 13.637 2.592 691 HA2 GLY 95 HA2 GLY 95 -6.087 12.242 4.727 692 HA3 GLY 95 HA3 GLY 95 -6.280 11.018 3.483 693 H HIS 96 H HIS 96 -5.180 14.413 3.296 694 HA HIS 96 HA HIS 96 -2.736 13.456 1.980 695 HB2 HIS 96 HB2 HIS 96 -3.943 16.223 2.164 696 HB3 HIS 96 HB3 HIS 96 -2.339 15.918 1.515 697 HD1 HIS 96 HD1 HIS 96 -4.724 17.163 -0.117 698 HD2 HIS 96 HD2 HIS 96 -3.542 13.181 -0.228 699 HE1 HIS 96 HE1 HIS 96 -5.558 16.275 -2.315 700 HE2 HIS 96 HE2 HIS 96 -4.717 13.905 -2.416 701 H THR 97 H THR 97 -0.779 13.730 2.825 702 HA THR 97 HA THR 97 -0.685 14.653 5.612 703 HB THR 97 HB THR 97 -0.155 12.343 5.581 704 HG1 THR 97 HG1 THR 97 1.573 12.571 6.764 705 HG21 THR 97 HG21 THR 97 0.271 12.042 3.215 706 HG22 THR 97 HG22 THR 97 1.592 11.357 4.163 707 HG23 THR 97 HG23 THR 97 1.798 12.914 3.358 708 H ASP 98 H ASP 98 0.946 15.977 6.293 709 HA ASP 98 HA ASP 98 2.127 17.670 4.254 710 HB2 ASP 98 HB2 ASP 98 0.950 18.389 6.466 711 HB3 ASP 98 HB3 ASP 98 2.480 17.981 7.230 712 H ALA 99 H ALA 99 3.034 14.898 5.868 713 HA ALA 99 HA ALA 99 5.807 15.709 6.333 714 HB1 ALA 99 HB1 ALA 99 4.605 14.806 8.236 715 HB2 ALA 99 HB2 ALA 99 5.937 13.744 7.779 716 HB3 ALA 99 HB3 ALA 99 4.279 13.317 7.346 717 H ILE 100 H ILE 100 4.113 14.150 3.871 718 HA ILE 100 HA ILE 100 6.533 12.608 3.195 719 HB ILE 100 HB ILE 100 3.754 11.936 2.183 720 HG12 ILE 100 HG12 ILE 100 5.430 10.495 4.262 721 HG13 ILE 100 HG13 ILE 100 3.995 11.453 4.607 722 HG21 ILE 100 HG21 ILE 100 5.560 11.342 0.636 723 HG22 ILE 100 HG22 ILE 100 4.836 9.893 1.333 724 HG23 ILE 100 HG23 ILE 100 6.394 10.470 1.925 725 HD11 ILE 100 HD11 ILE 100 2.637 9.887 3.328 726 HD12 ILE 100 HD12 ILE 100 3.511 9.071 4.626 727 HD13 ILE 100 HD13 ILE 100 4.075 8.937 2.960 728 H SER 101 H SER 101 7.607 13.977 1.977 729 HA SER 101 HA SER 101 6.413 15.520 -0.137 730 HB2 SER 101 HB2 SER 101 9.332 14.894 0.385 731 HB3 SER 101 HB3 SER 101 8.703 16.189 -0.632 732 HG SER 101 HG SER 101 7.986 17.260 1.145 733 H GLY 102 H GLY 102 6.011 14.853 -2.163 734 HA2 GLY 102 HA2 GLY 102 6.874 13.660 -4.141 735 HA3 GLY 102 HA3 GLY 102 7.276 12.334 -3.062 736 H ALA 103 H ALA 103 4.716 12.707 -1.578 737 HA ALA 103 HA ALA 103 3.011 11.280 -3.492 738 HB1 ALA 103 HB1 ALA 103 2.881 11.356 -0.482 739 HB2 ALA 103 HB2 ALA 103 3.582 10.062 -1.456 740 HB3 ALA 103 HB3 ALA 103 1.851 10.392 -1.541 741 H THR 104 H THR 104 1.490 12.421 -4.413 742 HA THR 104 HA THR 104 0.339 14.735 -3.010 743 HB THR 104 HB THR 104 -0.553 15.370 -5.274 744 HG1 THR 104 HG1 THR 104 1.032 13.136 -6.056 745 HG21 THR 104 HG21 THR 104 1.607 16.137 -6.166 746 HG22 THR 104 HG22 THR 104 2.442 15.046 -5.059 747 HG23 THR 104 HG23 THR 104 1.490 16.387 -4.423 748 H ILE 105 H ILE 105 -0.281 11.564 -3.607 749 HA ILE 105 HA ILE 105 -3.165 11.793 -3.904 750 HB ILE 105 HB ILE 105 -1.897 10.214 -5.305 751 HG12 ILE 105 HG12 ILE 105 -4.314 9.751 -4.342 752 HG13 ILE 105 HG13 ILE 105 -3.499 8.601 -5.384 753 HG21 ILE 105 HG21 ILE 105 -1.158 8.822 -2.749 754 HG22 ILE 105 HG22 ILE 105 -0.079 9.624 -3.891 755 HG23 ILE 105 HG23 ILE 105 -0.926 8.152 -4.365 756 HD11 ILE 105 HD11 ILE 105 -3.678 8.430 -2.379 757 HD12 ILE 105 HD12 ILE 105 -2.908 7.250 -3.444 758 HD13 ILE 105 HD13 ILE 105 -4.650 7.517 -3.533 759 H LYS 106 H LYS 106 -4.635 10.948 -2.366 760 HA LYS 106 HA LYS 106 -4.172 11.233 0.326 761 HB2 LYS 106 HB2 LYS 106 -6.278 9.951 0.680 762 HB3 LYS 106 HB3 LYS 106 -6.412 11.248 -0.491 763 HG2 LYS 106 HG2 LYS 106 -5.909 8.472 -1.469 764 HG3 LYS 106 HG3 LYS 106 -7.519 8.901 -0.900 765 HD2 LYS 106 HD2 LYS 106 -7.700 10.641 -2.540 766 HD3 LYS 106 HD3 LYS 106 -6.014 10.438 -3.015 767 HE2 LYS 106 HE2 LYS 106 -7.415 9.391 -4.667 768 HE3 LYS 106 HE3 LYS 106 -6.562 8.132 -3.776 769 HZ1 LYS 106 HZ1 LYS 106 -9.386 8.966 -3.416 770 HZ2 LYS 106 HZ2 LYS 106 -8.590 7.852 -2.425 771 HZ3 LYS 106 HZ3 LYS 106 -8.838 7.500 -4.063 772 H VAL 107 H VAL 107 -2.775 10.296 1.515 773 HA VAL 107 HA VAL 107 -1.616 7.720 0.994 774 HB VAL 107 HB VAL 107 -1.083 9.981 2.921 775 HG11 VAL 107 HG11 VAL 107 -0.551 7.960 4.197 776 HG12 VAL 107 HG12 VAL 107 0.899 8.867 3.767 777 HG13 VAL 107 HG13 VAL 107 0.473 7.406 2.875 778 HG21 VAL 107 HG21 VAL 107 1.012 10.113 1.708 779 HG22 VAL 107 HG22 VAL 107 -0.358 10.171 0.597 780 HG23 VAL 107 HG23 VAL 107 0.573 8.681 0.776 781 H LYS 108 H LYS 108 -4.313 8.692 2.641 782 HA LYS 108 HA LYS 108 -4.499 7.199 4.969 783 HB2 LYS 108 HB2 LYS 108 -7.015 7.233 4.449 784 HB3 LYS 108 HB3 LYS 108 -6.187 8.777 4.612 785 HG2 LYS 108 HG2 LYS 108 -6.063 9.007 2.214 786 HG3 LYS 108 HG3 LYS 108 -6.797 7.418 1.992 787 HD2 LYS 108 HD2 LYS 108 -8.139 9.711 3.394 788 HD3 LYS 108 HD3 LYS 108 -8.312 9.391 1.670 789 HE2 LYS 108 HE2 LYS 108 -9.225 7.172 2.203 790 HE3 LYS 108 HE3 LYS 108 -9.091 7.550 3.921 791 HZ1 LYS 108 HZ1 LYS 108 -10.617 9.283 2.081 792 HZ2 LYS 108 HZ2 LYS 108 -10.727 9.171 3.771 793 HZ3 LYS 108 HZ3 LYS 108 -11.325 7.920 2.798 794 H LYS 109 H LYS 109 -4.984 6.092 1.624 795 HA LYS 109 HA LYS 109 -6.204 3.611 2.273 796 HB2 LYS 109 HB2 LYS 109 -6.205 4.848 0.032 797 HB3 LYS 109 HB3 LYS 109 -4.590 4.202 -0.211 798 HG2 LYS 109 HG2 LYS 109 -6.039 2.755 -1.381 799 HG3 LYS 109 HG3 LYS 109 -5.609 1.904 0.099 800 HD2 LYS 109 HD2 LYS 109 -7.698 2.277 1.072 801 HD3 LYS 109 HD3 LYS 109 -8.091 3.579 -0.052 802 HE2 LYS 109 HE2 LYS 109 -7.778 0.691 -0.856 803 HE3 LYS 109 HE3 LYS 109 -9.322 1.432 -0.443 804 HZ1 LYS 109 HZ1 LYS 109 -7.559 2.049 -2.751 805 HZ2 LYS 109 HZ2 LYS 109 -8.803 3.087 -2.261 806 HZ3 LYS 109 HZ3 LYS 109 -9.176 1.519 -2.768 807 H PHE 110 H PHE 110 -2.862 4.656 2.008 808 HA PHE 110 HA PHE 110 -1.690 2.070 1.893 809 HB2 PHE 110 HB2 PHE 110 -0.443 3.999 1.104 810 HB3 PHE 110 HB3 PHE 110 -0.528 4.753 2.690 811 HD1 PHE 110 HD1 PHE 110 0.902 1.852 0.864 812 HD2 PHE 110 HD2 PHE 110 1.097 4.373 4.278 813 HE1 PHE 110 HE1 PHE 110 3.038 0.806 1.516 814 HE2 PHE 110 HE2 PHE 110 3.218 3.338 4.937 815 HZ PHE 110 HZ PHE 110 4.186 1.549 3.574 816 H PHE 111 H PHE 111 -1.993 4.424 4.568 817 HA PHE 111 HA PHE 111 -0.786 2.611 6.407 818 HB2 PHE 111 HB2 PHE 111 -2.059 5.303 6.697 819 HB3 PHE 111 HB3 PHE 111 -1.636 4.360 8.121 820 HD1 PHE 111 HD1 PHE 111 0.717 3.817 8.589 821 HD2 PHE 111 HD2 PHE 111 -0.371 6.367 5.370 822 HE1 PHE 111 HE1 PHE 111 3.023 4.654 8.481 823 HE2 PHE 111 HE2 PHE 111 1.942 7.200 5.253 824 HZ PHE 111 HZ PHE 111 3.638 6.346 6.812 825 H ASP 112 H ASP 112 -4.135 3.285 5.571 826 HA ASP 112 HA ASP 112 -5.296 1.951 7.805 827 HB2 ASP 112 HB2 ASP 112 -6.261 2.953 5.203 828 HB3 ASP 112 HB3 ASP 112 -7.174 1.606 5.870 829 H LEU 113 H LEU 113 -4.286 0.863 4.594 830 HA LEU 113 HA LEU 113 -5.238 -1.817 5.028 831 HB2 LEU 113 HB2 LEU 113 -3.837 -0.402 2.830 832 HB3 LEU 113 HB3 LEU 113 -3.626 -2.137 2.917 833 HG LEU 113 HG LEU 113 -5.405 -1.638 1.369 834 HD11 LEU 113 HD11 LEU 113 -6.498 -2.708 3.964 835 HD12 LEU 113 HD12 LEU 113 -5.640 -3.635 2.733 836 HD13 LEU 113 HD13 LEU 113 -7.215 -2.931 2.368 837 HD21 LEU 113 HD21 LEU 113 -6.752 -0.172 3.634 838 HD22 LEU 113 HD22 LEU 113 -7.487 -0.551 2.077 839 HD23 LEU 113 HD23 LEU 113 -6.105 0.542 2.155 840 H ALA 114 H ALA 114 -2.241 -0.116 5.534 841 HA ALA 114 HA ALA 114 -0.606 -2.345 6.089 842 HB1 ALA 114 HB1 ALA 114 0.829 -0.778 7.266 843 HB2 ALA 114 HB2 ALA 114 -0.461 0.425 7.269 844 HB3 ALA 114 HB3 ALA 114 0.268 -0.082 5.745 845 H GLN 115 H GLN 115 -2.839 -0.478 8.104 846 HA GLN 115 HA GLN 115 -2.317 -1.820 10.559 847 HB2 GLN 115 HB2 GLN 115 -4.718 -0.278 9.571 848 HB3 GLN 115 HB3 GLN 115 -4.582 -0.902 11.210 849 HG2 GLN 115 HG2 GLN 115 -2.811 0.539 11.732 850 HG3 GLN 115 HG3 GLN 115 -2.497 0.904 10.037 851 HE21 GLN 115 HE21 GLN 115 -2.658 3.079 10.248 852 HE22 GLN 115 HE22 GLN 115 -4.140 3.906 10.595 853 H LYS 116 H LYS 116 -4.534 -2.432 7.878 854 HA LYS 116 HA LYS 116 -5.924 -4.600 9.090 855 HB2 LYS 116 HB2 LYS 116 -5.673 -3.616 6.266 856 HB3 LYS 116 HB3 LYS 116 -6.556 -5.088 6.652 857 HG2 LYS 116 HG2 LYS 116 -8.060 -3.848 8.081 858 HG3 LYS 116 HG3 LYS 116 -7.144 -2.367 7.795 859 HD2 LYS 116 HD2 LYS 116 -9.096 -2.350 6.398 860 HD3 LYS 116 HD3 LYS 116 -7.678 -2.566 5.376 861 HE2 LYS 116 HE2 LYS 116 -8.123 -4.980 5.286 862 HE3 LYS 116 HE3 LYS 116 -9.551 -4.748 6.296 863 HZ1 LYS 116 HZ1 LYS 116 -10.614 -3.538 4.603 864 HZ2 LYS 116 HZ2 LYS 116 -9.955 -4.904 3.843 865 HZ3 LYS 116 HZ3 LYS 116 -9.197 -3.397 3.688 866 H ALA 117 H ALA 117 -2.919 -4.347 7.327 867 HA ALA 117 HA ALA 117 -2.607 -7.069 6.658 868 HB1 ALA 117 HB1 ALA 117 -1.239 -5.301 5.674 869 HB2 ALA 117 HB2 ALA 117 -0.244 -6.564 6.401 870 HB3 ALA 117 HB3 ALA 117 -0.473 -5.028 7.238 871 H LEU 118 H LEU 118 -2.114 -5.304 9.617 872 HA LEU 118 HA LEU 118 -0.799 -7.637 10.844 873 HB2 LEU 118 HB2 LEU 118 -0.834 -4.778 11.791 874 HB3 LEU 118 HB3 LEU 118 0.201 -6.074 12.367 875 HG LEU 118 HG LEU 118 0.353 -5.374 9.487 876 HD11 LEU 118 HD11 LEU 118 1.566 -3.734 11.675 877 HD12 LEU 118 HD12 LEU 118 0.284 -3.235 10.566 878 HD13 LEU 118 HD13 LEU 118 1.904 -3.586 9.949 879 HD21 LEU 118 HD21 LEU 118 1.668 -7.195 10.390 880 HD22 LEU 118 HD22 LEU 118 2.390 -6.099 11.570 881 HD23 LEU 118 HD23 LEU 118 2.697 -5.870 9.848 882 H LYS 119 H LYS 119 -3.748 -7.053 10.477 883 HA LYS 119 HA LYS 119 -4.925 -6.194 12.871 884 HB2 LYS 119 HB2 LYS 119 -7.035 -7.053 11.982 885 HB3 LYS 119 HB3 LYS 119 -6.123 -6.173 10.765 886 HG2 LYS 119 HG2 LYS 119 -5.431 -8.300 9.749 887 HG3 LYS 119 HG3 LYS 119 -6.343 -9.180 10.977 888 HD2 LYS 119 HD2 LYS 119 -7.557 -7.204 9.042 889 HD3 LYS 119 HD3 LYS 119 -7.517 -8.948 8.790 890 HE2 LYS 119 HE2 LYS 119 -8.806 -7.609 11.167 891 HE3 LYS 119 HE3 LYS 119 -9.675 -8.086 9.709 892 HZ1 LYS 119 HZ1 LYS 119 -9.140 -10.366 10.125 893 HZ2 LYS 119 HZ2 LYS 119 -9.822 -9.721 11.531 894 HZ3 LYS 119 HZ3 LYS 119 -8.148 -9.960 11.434 895 H ASP 120 H ASP 120 -4.290 -9.540 11.807 896 HA ASP 120 HA ASP 120 -4.962 -10.478 14.514 897 HB2 ASP 120 HB2 ASP 120 -4.341 -12.028 11.989 898 HB3 ASP 120 HB3 ASP 120 -4.732 -12.756 13.541 899 H ALA 121 H ALA 121 -2.385 -9.362 12.833 900 HA ALA 121 HA ALA 121 -0.188 -9.673 12.570 901 HB1 ALA 121 HB1 ALA 121 -0.229 -10.542 15.447 902 HB2 ALA 121 HB2 ALA 121 -0.298 -8.870 14.889 903 HB3 ALA 121 HB3 ALA 121 1.129 -9.850 14.551 904 H GLU 122 H GLU 122 -1.777 -11.873 11.761 905 HA GLU 122 HA GLU 122 0.368 -13.668 11.238 906 HB2 GLU 122 HB2 GLU 122 -0.890 -15.717 11.932 907 HB3 GLU 122 HB3 GLU 122 -0.343 -14.711 13.258 908 HG2 GLU 122 HG2 GLU 122 -2.602 -13.798 13.494 909 HG3 GLU 122 HG3 GLU 122 -3.151 -14.845 12.188 910 H LYS 123 H LYS 123 0.152 -13.056 9.119 911 HA LYS 123 HA LYS 123 -2.356 -13.902 7.805 912 HB2 LYS 123 HB2 LYS 123 -0.368 -11.855 6.786 913 HB3 LYS 123 HB3 LYS 123 -1.840 -12.351 5.970 914 HG2 LYS 123 HG2 LYS 123 -1.685 -10.903 8.608 915 HG3 LYS 123 HG3 LYS 123 -2.087 -10.188 7.052 916 HD2 LYS 123 HD2 LYS 123 -3.701 -12.424 8.255 917 HD3 LYS 123 HD3 LYS 123 -4.016 -10.731 8.633 918 HE2 LYS 123 HE2 LYS 123 -3.991 -11.834 5.824 919 HE3 LYS 123 HE3 LYS 123 -5.447 -11.727 6.811 920 HZ1 LYS 123 HZ1 LYS 123 -3.751 -9.462 5.900 921 HZ2 LYS 123 HZ2 LYS 123 -5.053 -9.309 6.970 922 HZ3 LYS 123 HZ3 LYS 123 -5.323 -9.828 5.383 923 H LEU 124 H LEU 124 -2.229 -15.076 5.864 924 HA LEU 124 HA LEU 124 0.094 -16.744 5.593 925 HB2 LEU 124 HB2 LEU 124 -2.530 -16.585 4.149 926 HB3 LEU 124 HB3 LEU 124 -1.213 -17.507 3.458 927 HG LEU 124 HG LEU 124 -1.161 -18.762 5.713 928 HD11 LEU 124 HD11 LEU 124 -3.913 -17.550 5.886 929 HD12 LEU 124 HD12 LEU 124 -2.569 -17.243 6.985 930 HD13 LEU 124 HD13 LEU 124 -3.292 -18.850 6.903 931 HD21 LEU 124 HD21 LEU 124 -2.955 -20.276 4.968 932 HD22 LEU 124 HD22 LEU 124 -1.885 -19.793 3.653 933 HD23 LEU 124 HD23 LEU 124 -3.479 -19.055 3.807 934 H GLU 125 H GLU 125 1.603 -16.775 4.014 935 HA GLU 125 HA GLU 125 1.563 -14.697 1.984 936 HB2 GLU 125 HB2 GLU 125 3.951 -14.083 2.654 937 HB3 GLU 125 HB3 GLU 125 2.638 -13.449 3.626 938 HG2 GLU 125 HG2 GLU 125 4.319 -14.089 5.140 939 HG3 GLU 125 HG3 GLU 125 3.079 -15.329 5.250 940 H HIS 126 H HIS 126 3.606 -14.805 0.624 941 HA HIS 126 HA HIS 126 4.799 -17.460 0.464 942 HB2 HIS 126 HB2 HIS 126 4.530 -17.408 -2.073 943 HB3 HIS 126 HB3 HIS 126 3.087 -17.772 -1.146 944 HD1 HIS 126 HD1 HIS 126 1.128 -16.109 -1.295 945 HD2 HIS 126 HD2 HIS 126 4.462 -14.982 -3.508 946 HE1 HIS 126 HE1 HIS 126 0.358 -14.220 -2.771 947 HE2 HIS 126 HE2 HIS 126 2.315 -13.768 -4.292 948 H HIS 127 H HIS 127 5.888 -15.240 1.550 949 HA HIS 127 HA HIS 127 7.986 -14.465 -0.343 950 HB2 HIS 127 HB2 HIS 127 6.241 -12.719 -0.440 951 HB3 HIS 127 HB3 HIS 127 6.321 -12.528 1.302 952 HD1 HIS 127 HD1 HIS 127 8.139 -11.634 -1.854 953 HD2 HIS 127 HD2 HIS 127 8.422 -10.954 2.235 954 HE1 HIS 127 HE1 HIS 127 9.780 -9.748 -1.591 955 HE2 HIS 127 HE2 HIS 127 10.079 -9.497 0.904 956 H HIS 128 H HIS 128 9.651 -15.442 0.704 957 HA HIS 128 HA HIS 128 10.152 -14.515 3.460 958 HB2 HIS 128 HB2 HIS 128 9.741 -17.020 3.189 959 HB3 HIS 128 HB3 HIS 128 11.250 -17.086 2.285 960 HD1 HIS 128 HD1 HIS 128 13.248 -17.622 3.657 961 HD2 HIS 128 HD2 HIS 128 10.221 -15.919 5.945 962 HE1 HIS 128 HE1 HIS 128 14.101 -17.631 6.023 963 HE2 HIS 128 HE2 HIS 128 12.250 -16.623 7.400 964 H HIS 129 H HIS 129 11.070 -14.384 0.262 965 HA HIS 129 HA HIS 129 13.881 -13.977 0.581 966 HB2 HIS 129 HB2 HIS 129 12.851 -14.709 -1.561 967 HB3 HIS 129 HB3 HIS 129 12.054 -13.149 -1.689 968 HD1 HIS 129 HD1 HIS 129 13.219 -11.578 -3.171 969 HD2 HIS 129 HD2 HIS 129 15.854 -14.280 -1.426 970 HE1 HIS 129 HE1 HIS 129 15.479 -11.029 -4.123 971 HE2 HIS 129 HE2 HIS 129 17.077 -12.524 -2.885 972 H HIS 130 H HIS 130 14.603 -12.386 1.731 973 HA HIS 130 HA HIS 130 13.201 -9.956 2.208 974 HB2 HIS 130 HB2 HIS 130 14.593 -10.866 3.934 975 HB3 HIS 130 HB3 HIS 130 15.978 -10.952 2.863 976 HD1 HIS 130 HD1 HIS 130 13.730 -8.063 3.982 977 HD2 HIS 130 HD2 HIS 130 17.743 -9.087 3.612 978 HE1 HIS 130 HE1 HIS 130 15.016 -6.056 4.773 979 HE2 HIS 130 HE2 HIS 130 17.432 -6.717 4.612 980 H HIS 131 H HIS 131 13.242 -8.127 1.110 981 HA HIS 131 HA HIS 131 15.511 -7.565 -0.665 982 HB2 HIS 131 HB2 HIS 131 13.449 -8.476 -1.924 983 HB3 HIS 131 HB3 HIS 131 12.680 -6.945 -1.518 984 HD1 HIS 131 HD1 HIS 131 13.178 -4.985 -3.019 985 HD2 HIS 131 HD2 HIS 131 15.806 -8.158 -3.595 986 HE1 HIS 131 HE1 HIS 131 14.568 -4.364 -5.021 987 HE2 HIS 131 HE2 HIS 131 16.084 -6.335 -5.414 Start of MODEL 17 1 H1 MET 1 H1 MET 1 3.260 -8.318 17.111 2 H2 MET 1 H2 MET 1 2.363 -9.617 16.495 3 H3 MET 1 H3 MET 1 1.875 -8.027 16.175 4 HA MET 1 HA MET 1 2.946 -9.040 14.253 5 HB2 MET 1 HB2 MET 1 4.459 -6.793 15.591 6 HB3 MET 1 HB3 MET 1 4.703 -7.274 13.918 7 HG2 MET 1 HG2 MET 1 2.497 -6.631 13.325 8 HG3 MET 1 HG3 MET 1 2.047 -6.397 15.012 9 HE1 MET 1 HE1 MET 1 4.325 -5.047 12.069 10 HE2 MET 1 HE2 MET 1 5.466 -5.298 13.391 11 HE3 MET 1 HE3 MET 1 5.088 -3.661 12.851 12 H LYS 2 H LYS 2 4.122 -10.758 13.810 13 HA LYS 2 HA LYS 2 6.534 -11.315 15.416 14 HB2 LYS 2 HB2 LYS 2 4.845 -13.220 13.769 15 HB3 LYS 2 HB3 LYS 2 6.255 -13.663 14.721 16 HG2 LYS 2 HG2 LYS 2 5.084 -13.003 16.761 17 HG3 LYS 2 HG3 LYS 2 3.670 -12.563 15.804 18 HD2 LYS 2 HD2 LYS 2 4.876 -15.326 15.944 19 HD3 LYS 2 HD3 LYS 2 3.477 -14.791 16.872 20 HE2 LYS 2 HE2 LYS 2 2.300 -14.325 14.730 21 HE3 LYS 2 HE3 LYS 2 3.687 -14.987 13.865 22 HZ1 LYS 2 HZ1 LYS 2 1.875 -16.424 15.720 23 HZ2 LYS 2 HZ2 LYS 2 3.318 -17.079 15.126 24 HZ3 LYS 2 HZ3 LYS 2 2.065 -16.687 14.057 25 H ASP 3 H ASP 3 8.322 -12.390 14.187 26 HA ASP 3 HA ASP 3 9.033 -11.219 11.758 27 HB2 ASP 3 HB2 ASP 3 10.594 -12.383 13.323 28 HB3 ASP 3 HB3 ASP 3 9.920 -13.919 12.801 29 H GLY 4 H GLY 4 7.937 -11.333 9.982 30 HA2 GLY 4 HA2 GLY 4 7.534 -13.637 8.439 31 HA3 GLY 4 HA3 GLY 4 6.024 -13.269 9.271 32 H THR 5 H THR 5 5.609 -13.082 6.747 33 HA THR 5 HA THR 5 5.788 -10.215 6.176 34 HB THR 5 HB THR 5 6.041 -12.332 4.032 35 HG1 THR 5 HG1 THR 5 7.900 -11.104 5.685 36 HG21 THR 5 HG21 THR 5 5.103 -10.192 3.261 37 HG22 THR 5 HG22 THR 5 6.723 -10.444 2.615 38 HG23 THR 5 HG23 THR 5 6.478 -9.337 3.965 39 H TYR 6 H TYR 6 3.946 -9.341 6.011 40 HA TYR 6 HA TYR 6 1.526 -11.001 5.768 41 HB2 TYR 6 HB2 TYR 6 1.870 -8.323 7.156 42 HB3 TYR 6 HB3 TYR 6 0.465 -9.378 7.256 43 HD1 TYR 6 HD1 TYR 6 0.699 -11.569 8.450 44 HD2 TYR 6 HD2 TYR 6 3.716 -8.595 8.623 45 HE1 TYR 6 HE1 TYR 6 1.657 -12.667 10.416 46 HE2 TYR 6 HE2 TYR 6 4.689 -9.688 10.601 47 HH TYR 6 HH TYR 6 3.901 -12.801 11.529 48 H TYR 7 H TYR 7 -0.206 -10.158 4.472 49 HA TYR 7 HA TYR 7 0.220 -7.512 3.338 50 HB2 TYR 7 HB2 TYR 7 0.299 -8.085 1.136 51 HB3 TYR 7 HB3 TYR 7 0.923 -9.599 1.767 52 HD1 TYR 7 HD2 TYR 7 -0.770 -11.532 2.065 53 HD2 TYR 7 HD1 TYR 7 -1.589 -8.030 -0.203 54 HE1 TYR 7 HE2 TYR 7 -2.590 -12.716 0.905 55 HE2 TYR 7 HE1 TYR 7 -3.408 -9.195 -1.371 56 HH TYR 7 HH TYR 7 -4.748 -12.045 -0.291 57 H ALA 8 H ALA 8 -1.743 -6.534 2.531 58 HA ALA 8 HA ALA 8 -4.221 -7.968 3.116 59 HB1 ALA 8 HB1 ALA 8 -3.811 -6.494 5.024 60 HB2 ALA 8 HB2 ALA 8 -5.224 -5.982 4.096 61 HB3 ALA 8 HB3 ALA 8 -3.695 -5.121 3.924 62 H GLU 9 H GLU 9 -5.980 -7.288 1.849 63 HA GLU 9 HA GLU 9 -5.164 -5.773 -0.537 64 HB2 GLU 9 HB2 GLU 9 -6.811 -7.091 -1.773 65 HB3 GLU 9 HB3 GLU 9 -5.612 -8.126 -1.015 66 HG2 GLU 9 HG2 GLU 9 -7.166 -8.753 0.709 67 HG3 GLU 9 HG3 GLU 9 -8.356 -7.600 0.114 68 H ALA 10 H ALA 10 -6.603 -4.312 -1.415 69 HA ALA 10 HA ALA 10 -8.075 -2.774 0.402 70 HB1 ALA 10 HB1 ALA 10 -8.221 -2.753 -2.603 71 HB2 ALA 10 HB2 ALA 10 -7.047 -1.880 -1.617 72 HB3 ALA 10 HB3 ALA 10 -8.759 -1.468 -1.521 73 H ASP 11 H ASP 11 -10.259 -2.368 0.612 74 HA ASP 11 HA ASP 11 -11.961 -4.676 0.275 75 HB2 ASP 11 HB2 ASP 11 -11.930 -3.262 2.340 76 HB3 ASP 11 HB3 ASP 11 -12.606 -1.941 1.403 77 H ASP 12 H ASP 12 -11.225 -1.903 -1.499 78 HA ASP 12 HA ASP 12 -13.445 -2.419 -3.339 79 HB2 ASP 12 HB2 ASP 12 -13.770 -0.040 -3.724 80 HB3 ASP 12 HB3 ASP 12 -13.951 -0.371 -2.004 81 H PHE 13 H PHE 13 -12.881 -2.270 -5.542 82 HA PHE 13 HA PHE 13 -10.122 -1.859 -6.275 83 HB2 PHE 13 HB2 PHE 13 -12.620 -2.032 -7.983 84 HB3 PHE 13 HB3 PHE 13 -11.009 -1.797 -8.642 85 HD1 PHE 13 HD1 PHE 13 -9.292 -3.579 -8.313 86 HD2 PHE 13 HD2 PHE 13 -13.406 -4.171 -7.422 87 HE1 PHE 13 HE1 PHE 13 -8.953 -6.014 -8.403 88 HE2 PHE 13 HE2 PHE 13 -13.077 -6.605 -7.509 89 HZ PHE 13 HZ PHE 13 -10.849 -7.530 -8.003 90 H ASP 14 H ASP 14 -9.201 -0.004 -7.029 91 HA ASP 14 HA ASP 14 -10.541 2.413 -6.211 92 HB2 ASP 14 HB2 ASP 14 -7.991 1.672 -6.060 93 HB3 ASP 14 HB3 ASP 14 -7.909 2.498 -7.614 94 H GLU 15 H GLU 15 -9.459 4.296 -8.071 95 HA GLU 15 HA GLU 15 -11.690 4.374 -9.826 96 HB2 GLU 15 HB2 GLU 15 -9.231 6.108 -10.007 97 HB3 GLU 15 HB3 GLU 15 -10.854 6.493 -10.553 98 HG2 GLU 15 HG2 GLU 15 -10.032 6.129 -7.679 99 HG3 GLU 15 HG3 GLU 15 -10.213 7.678 -8.497 100 H SER 16 H SER 16 -8.261 3.632 -10.347 101 HA SER 16 HA SER 16 -8.673 3.246 -13.187 102 HB2 SER 16 HB2 SER 16 -6.246 2.757 -11.458 103 HB3 SER 16 HB3 SER 16 -6.290 2.583 -13.215 104 HG SER 16 HG SER 16 -5.691 4.608 -13.093 105 H GLY 17 H GLY 17 -9.538 1.388 -10.615 106 HA2 GLY 17 HA2 GLY 17 -10.428 -0.751 -10.660 107 HA3 GLY 17 HA3 GLY 17 -9.782 -0.956 -12.280 108 H TRP 18 H TRP 18 -8.125 -0.202 -9.239 109 HA TRP 18 HA TRP 18 -6.807 -2.826 -9.360 110 HB2 TRP 18 HB2 TRP 18 -5.464 -0.159 -8.828 111 HB3 TRP 18 HB3 TRP 18 -4.706 -1.712 -8.531 112 HD1 TRP 18 HD1 TRP 18 -6.066 0.339 -11.552 113 HE1 TRP 18 HE1 TRP 18 -4.568 -0.158 -13.582 114 HE3 TRP 18 HE3 TRP 18 -3.067 -3.266 -9.509 115 HZ2 TRP 18 HZ2 TRP 18 -2.416 -1.825 -14.232 116 HZ3 TRP 18 HZ3 TRP 18 -1.303 -4.245 -10.909 117 HH2 TRP 18 HH2 TRP 18 -0.989 -3.541 -13.222 118 H LYS 19 H LYS 19 -7.127 -3.892 -7.460 119 HA LYS 19 HA LYS 19 -7.819 -2.565 -4.999 120 HB2 LYS 19 HB2 LYS 19 -7.494 -5.314 -5.977 121 HB3 LYS 19 HB3 LYS 19 -7.007 -5.090 -4.307 122 HG2 LYS 19 HG2 LYS 19 -9.236 -4.161 -3.830 123 HG3 LYS 19 HG3 LYS 19 -9.702 -4.510 -5.501 124 HD2 LYS 19 HD2 LYS 19 -9.154 -6.889 -5.115 125 HD3 LYS 19 HD3 LYS 19 -8.801 -6.506 -3.427 126 HE2 LYS 19 HE2 LYS 19 -11.105 -5.629 -3.210 127 HE3 LYS 19 HE3 LYS 19 -11.426 -6.193 -4.850 128 HZ1 LYS 19 HZ1 LYS 19 -10.541 -7.952 -2.629 129 HZ2 LYS 19 HZ2 LYS 19 -11.068 -8.434 -4.166 130 HZ3 LYS 19 HZ3 LYS 19 -12.163 -7.735 -3.075 131 H ASP 20 H ASP 20 -6.216 -1.335 -4.123 132 HA ASP 20 HA ASP 20 -3.465 -1.930 -4.439 133 HB2 ASP 20 HB2 ASP 20 -4.899 -0.042 -2.586 134 HB3 ASP 20 HB3 ASP 20 -3.146 -0.123 -2.757 135 H THR 21 H THR 21 -2.162 -3.139 -3.302 136 HA THR 21 HA THR 21 -3.131 -4.172 -0.729 137 HB THR 21 HB THR 21 -2.103 -6.339 -1.162 138 HG1 THR 21 HG1 THR 21 -0.839 -5.008 -3.105 139 HG21 THR 21 HG21 THR 21 -3.518 -7.163 -2.995 140 HG22 THR 21 HG22 THR 21 -3.864 -5.498 -3.462 141 HG23 THR 21 HG23 THR 21 -4.403 -6.107 -1.896 142 H VAL 22 H VAL 22 -1.666 -4.284 0.890 143 HA VAL 22 HA VAL 22 0.943 -3.065 0.255 144 HB VAL 22 HB VAL 22 -0.699 -2.586 2.761 145 HG11 VAL 22 HG11 VAL 22 1.992 -1.457 1.984 146 HG12 VAL 22 HG12 VAL 22 1.707 -2.656 3.247 147 HG13 VAL 22 HG13 VAL 22 1.056 -1.025 3.415 148 HG21 VAL 22 HG21 VAL 22 0.094 -0.707 0.530 149 HG22 VAL 22 HG22 VAL 22 -0.793 -0.263 1.988 150 HG23 VAL 22 HG23 VAL 22 -1.524 -1.353 0.809 151 H THR 23 H THR 23 2.458 -4.462 0.410 152 HA THR 23 HA THR 23 2.196 -6.747 2.195 153 HB THR 23 HB THR 23 4.377 -6.287 0.160 154 HG1 THR 23 HG1 THR 23 3.023 -6.869 -1.379 155 HG21 THR 23 HG21 THR 23 4.537 -8.728 0.226 156 HG22 THR 23 HG22 THR 23 3.226 -8.784 1.405 157 HG23 THR 23 HG23 THR 23 4.764 -8.034 1.835 158 H ILE 24 H ILE 24 3.098 -6.692 4.078 159 HA ILE 24 HA ILE 24 5.214 -4.744 4.674 160 HB ILE 24 HB ILE 24 3.079 -6.005 6.413 161 HG12 ILE 24 HG12 ILE 24 2.311 -4.203 4.925 162 HG13 ILE 24 HG13 ILE 24 2.168 -3.770 6.628 163 HG21 ILE 24 HG21 ILE 24 5.074 -5.782 7.760 164 HG22 ILE 24 HG22 ILE 24 3.857 -4.609 8.261 165 HG23 ILE 24 HG23 ILE 24 5.231 -4.091 7.285 166 HD11 ILE 24 HD11 ILE 24 4.320 -2.841 4.731 167 HD12 ILE 24 HD12 ILE 24 4.202 -2.409 6.437 168 HD13 ILE 24 HD13 ILE 24 2.952 -1.888 5.307 169 H GLU 25 H GLU 25 7.210 -5.649 4.947 170 HA GLU 25 HA GLU 25 7.339 -8.356 6.029 171 HB2 GLU 25 HB2 GLU 25 8.981 -8.294 4.362 172 HB3 GLU 25 HB3 GLU 25 9.437 -6.632 4.728 173 HG2 GLU 25 HG2 GLU 25 10.638 -7.261 6.640 174 HG3 GLU 25 HG3 GLU 25 9.929 -8.866 6.680 175 H VAL 26 H VAL 26 7.282 -8.603 8.046 176 HA VAL 26 HA VAL 26 8.457 -6.603 9.830 177 HB VAL 26 HB VAL 26 6.637 -8.933 10.501 178 HG11 VAL 26 HG11 VAL 26 8.082 -8.338 12.357 179 HG12 VAL 26 HG12 VAL 26 6.412 -7.878 12.688 180 HG13 VAL 26 HG13 VAL 26 7.589 -6.651 12.215 181 HG21 VAL 26 HG21 VAL 26 5.467 -7.241 9.220 182 HG22 VAL 26 HG22 VAL 26 6.029 -5.991 10.332 183 HG23 VAL 26 HG23 VAL 26 4.923 -7.244 10.897 184 H LYS 27 H LYS 27 10.445 -6.983 10.361 185 HA LYS 27 HA LYS 27 11.393 -9.751 10.495 186 HB2 LYS 27 HB2 LYS 27 12.487 -8.384 8.785 187 HB3 LYS 27 HB3 LYS 27 12.934 -7.207 10.004 188 HG2 LYS 27 HG2 LYS 27 14.462 -8.715 11.024 189 HG3 LYS 27 HG3 LYS 27 13.872 -10.060 10.037 190 HD2 LYS 27 HD2 LYS 27 15.119 -7.578 8.875 191 HD3 LYS 27 HD3 LYS 27 16.034 -9.040 9.260 192 HE2 LYS 27 HE2 LYS 27 15.018 -10.275 7.602 193 HE3 LYS 27 HE3 LYS 27 13.578 -9.263 7.588 194 HZ1 LYS 27 HZ1 LYS 27 14.890 -8.960 5.593 195 HZ2 LYS 27 HZ2 LYS 27 16.236 -8.496 6.509 196 HZ3 LYS 27 HZ3 LYS 27 14.845 -7.536 6.498 197 H ASN 28 H ASN 28 11.830 -10.484 12.348 198 HA ASN 28 HA ASN 28 12.192 -10.797 14.541 199 HB2 ASN 28 HB2 ASN 28 13.106 -7.929 14.458 200 HB3 ASN 28 HB3 ASN 28 13.024 -8.835 15.969 201 HD21 ASN 28 HD21 ASN 28 14.719 -8.302 13.036 202 HD22 ASN 28 HD22 ASN 28 16.048 -9.366 13.342 203 H GLY 29 H GLY 29 10.897 -7.577 14.322 204 HA2 GLY 29 HA2 GLY 29 8.239 -8.262 15.063 205 HA3 GLY 29 HA3 GLY 29 9.112 -7.605 16.443 206 H LYS 30 H LYS 30 10.361 -6.283 13.630 207 HA LYS 30 HA LYS 30 8.604 -3.928 13.806 208 HB2 LYS 30 HB2 LYS 30 10.605 -2.510 13.516 209 HB3 LYS 30 HB3 LYS 30 10.668 -3.447 15.001 210 HG2 LYS 30 HG2 LYS 30 12.155 -5.073 13.872 211 HG3 LYS 30 HG3 LYS 30 12.154 -4.038 12.445 212 HD2 LYS 30 HD2 LYS 30 14.149 -3.596 13.690 213 HD3 LYS 30 HD3 LYS 30 13.076 -2.206 13.867 214 HE2 LYS 30 HE2 LYS 30 12.324 -3.127 16.041 215 HE3 LYS 30 HE3 LYS 30 13.504 -4.423 15.865 216 HZ1 LYS 30 HZ1 LYS 30 15.266 -2.789 15.864 217 HZ2 LYS 30 HZ2 LYS 30 14.324 -2.628 17.263 218 HZ3 LYS 30 HZ3 LYS 30 14.142 -1.529 15.987 219 H ILE 31 H ILE 31 8.542 -2.620 11.818 220 HA ILE 31 HA ILE 31 8.584 -4.333 9.479 221 HB ILE 31 HB ILE 31 7.922 -1.393 9.525 222 HG12 ILE 31 HG12 ILE 31 5.930 -3.652 9.770 223 HG13 ILE 31 HG13 ILE 31 6.531 -2.749 11.159 224 HG21 ILE 31 HG21 ILE 31 7.140 -3.611 7.632 225 HG22 ILE 31 HG22 ILE 31 8.338 -2.354 7.323 226 HG23 ILE 31 HG23 ILE 31 6.637 -1.923 7.510 227 HD11 ILE 31 HD11 ILE 31 5.069 -1.568 8.812 228 HD12 ILE 31 HD12 ILE 31 5.620 -0.702 10.249 229 HD13 ILE 31 HD13 ILE 31 4.361 -1.932 10.388 230 H VAL 32 H VAL 32 10.472 -4.602 8.413 231 HA VAL 32 HA VAL 32 12.309 -2.320 8.360 232 HB VAL 32 HB VAL 32 14.091 -3.841 7.706 233 HG11 VAL 32 HG11 VAL 32 13.700 -3.494 10.082 234 HG12 VAL 32 HG12 VAL 32 14.278 -5.132 9.782 235 HG13 VAL 32 HG13 VAL 32 12.569 -4.849 10.115 236 HG21 VAL 32 HG21 VAL 32 13.786 -6.265 7.650 237 HG22 VAL 32 HG22 VAL 32 12.796 -5.471 6.424 238 HG23 VAL 32 HG23 VAL 32 12.053 -6.060 7.911 239 H SER 33 H SER 33 10.122 -4.060 6.381 240 HA SER 33 HA SER 33 11.123 -2.728 3.989 241 HB2 SER 33 HB2 SER 33 10.773 -5.736 4.133 242 HB3 SER 33 HB3 SER 33 11.092 -4.817 2.665 243 HG SER 33 HG SER 33 12.855 -5.862 4.237 244 H VAL 34 H VAL 34 9.616 -2.806 2.225 245 HA VAL 34 HA VAL 34 6.956 -3.802 2.727 246 HB VAL 34 HB VAL 34 6.850 -1.626 3.838 247 HG11 VAL 34 HG11 VAL 34 8.634 -0.481 2.713 248 HG12 VAL 34 HG12 VAL 34 7.150 0.468 2.612 249 HG13 VAL 34 HG13 VAL 34 7.705 -0.458 1.215 250 HG21 VAL 34 HG21 VAL 34 5.358 -1.593 1.219 251 HG22 VAL 34 HG22 VAL 34 4.996 -0.566 2.605 252 HG23 VAL 34 HG23 VAL 34 4.815 -2.316 2.733 253 H ASP 35 H ASP 35 5.815 -4.133 0.854 254 HA ASP 35 HA ASP 35 7.223 -3.598 -1.672 255 HB2 ASP 35 HB2 ASP 35 7.330 -6.006 -0.690 256 HB3 ASP 35 HB3 ASP 35 5.636 -6.117 -1.150 257 H TRP 36 H TRP 36 5.946 -3.009 -3.397 258 HA TRP 36 HA TRP 36 3.191 -2.291 -2.671 259 HB2 TRP 36 HB2 TRP 36 4.497 -1.309 -5.176 260 HB3 TRP 36 HB3 TRP 36 3.263 -0.545 -4.199 261 HD1 TRP 36 HD1 TRP 36 4.577 -0.006 -1.490 262 HE1 TRP 36 HE1 TRP 36 6.674 1.474 -1.269 263 HE3 TRP 36 HE3 TRP 36 6.314 -0.311 -6.294 264 HZ2 TRP 36 HZ2 TRP 36 8.773 2.402 -2.917 265 HZ3 TRP 36 HZ3 TRP 36 8.362 0.913 -6.889 266 HH2 TRP 36 HH2 TRP 36 9.565 2.242 -5.235 267 H ASN 37 H ASN 37 1.812 -3.827 -3.258 268 HA ASN 37 HA ASN 37 1.937 -4.772 -6.051 269 HB2 ASN 37 HB2 ASN 37 0.903 -6.307 -3.645 270 HB3 ASN 37 HB3 ASN 37 0.760 -6.842 -5.313 271 HD21 ASN 37 HD21 ASN 37 3.447 -5.963 -6.060 272 HD22 ASN 37 HD22 ASN 37 4.544 -7.055 -5.294 273 H ALA 38 H ALA 38 -0.273 -5.280 -6.953 274 HA ALA 38 HA ALA 38 -2.598 -4.344 -5.561 275 HB1 ALA 38 HB1 ALA 38 -3.245 -2.633 -7.182 276 HB2 ALA 38 HB2 ALA 38 -1.719 -2.849 -8.037 277 HB3 ALA 38 HB3 ALA 38 -1.726 -2.203 -6.396 278 H ILE 39 H ILE 39 -4.467 -5.208 -6.425 279 HA ILE 39 HA ILE 39 -3.992 -7.282 -8.451 280 HB ILE 39 HB ILE 39 -6.521 -7.064 -6.836 281 HG12 ILE 39 HG12 ILE 39 -4.034 -8.530 -5.918 282 HG13 ILE 39 HG13 ILE 39 -4.589 -7.006 -5.240 283 HG21 ILE 39 HG21 ILE 39 -5.010 -9.380 -8.055 284 HG22 ILE 39 HG22 ILE 39 -6.465 -8.617 -8.708 285 HG23 ILE 39 HG23 ILE 39 -6.542 -9.500 -7.183 286 HD11 ILE 39 HD11 ILE 39 -6.659 -8.095 -4.506 287 HD12 ILE 39 HD12 ILE 39 -5.224 -8.856 -3.818 288 HD13 ILE 39 HD13 ILE 39 -6.073 -9.625 -5.159 289 H ASN 40 H ASN 40 -4.656 -6.879 -10.449 290 HA ASN 40 HA ASN 40 -6.234 -4.566 -11.048 291 HB2 ASN 40 HB2 ASN 40 -4.296 -5.693 -12.399 292 HB3 ASN 40 HB3 ASN 40 -5.580 -6.706 -13.046 293 HD21 ASN 40 HD21 ASN 40 -3.879 -4.835 -14.380 294 HD22 ASN 40 HD22 ASN 40 -4.902 -3.662 -15.134 295 H LYS 41 H LYS 41 -8.291 -4.394 -11.692 296 HA LYS 41 HA LYS 41 -10.218 -6.397 -11.068 297 HB2 LYS 41 HB2 LYS 41 -10.562 -3.900 -10.977 298 HB3 LYS 41 HB3 LYS 41 -10.613 -3.902 -12.732 299 HG2 LYS 41 HG2 LYS 41 -12.538 -5.533 -12.541 300 HG3 LYS 41 HG3 LYS 41 -12.546 -5.158 -10.818 301 HD2 LYS 41 HD2 LYS 41 -13.053 -2.874 -11.230 302 HD3 LYS 41 HD3 LYS 41 -12.769 -3.060 -12.964 303 HE2 LYS 41 HE2 LYS 41 -14.672 -4.657 -13.047 304 HE3 LYS 41 HE3 LYS 41 -14.992 -4.309 -11.348 305 HZ1 LYS 41 HZ1 LYS 41 -15.446 -2.036 -11.892 306 HZ2 LYS 41 HZ2 LYS 41 -16.388 -3.027 -12.898 307 HZ3 LYS 41 HZ3 LYS 41 -14.998 -2.277 -13.510 308 H ASP 42 H ASP 42 -8.453 -5.581 -13.924 309 HA ASP 42 HA ASP 42 -9.791 -6.758 -16.023 310 HB2 ASP 42 HB2 ASP 42 -7.732 -5.594 -16.384 311 HB3 ASP 42 HB3 ASP 42 -6.850 -6.673 -15.318 312 H GLY 43 H GLY 43 -7.902 -8.374 -13.500 313 HA2 GLY 43 HA2 GLY 43 -8.488 -10.486 -12.630 314 HA3 GLY 43 HA3 GLY 43 -9.309 -10.856 -14.139 315 H GLY 44 H GLY 44 -6.091 -9.523 -14.021 316 HA2 GLY 44 HA2 GLY 44 -5.077 -12.051 -15.122 317 HA3 GLY 44 HA3 GLY 44 -4.365 -10.465 -15.402 318 H ASP 45 H ASP 45 -2.862 -9.698 -14.039 319 HA ASP 45 HA ASP 45 -2.090 -11.501 -11.838 320 HB2 ASP 45 HB2 ASP 45 -0.271 -9.736 -13.498 321 HB3 ASP 45 HB3 ASP 45 0.239 -10.860 -12.246 322 H ASP 46 H ASP 46 -0.280 -10.154 -10.535 323 HA ASP 46 HA ASP 46 -1.658 -7.820 -9.418 324 HB2 ASP 46 HB2 ASP 46 0.577 -9.571 -8.399 325 HB3 ASP 46 HB3 ASP 46 0.117 -8.075 -7.602 326 H LYS 47 H LYS 47 0.255 -6.279 -8.412 327 HA LYS 47 HA LYS 47 1.192 -4.727 -10.517 328 HB2 LYS 47 HB2 LYS 47 0.855 -3.896 -8.248 329 HB3 LYS 47 HB3 LYS 47 2.221 -4.839 -7.680 330 HG2 LYS 47 HG2 LYS 47 2.852 -2.529 -7.889 331 HG3 LYS 47 HG3 LYS 47 3.719 -3.480 -9.095 332 HD2 LYS 47 HD2 LYS 47 2.961 -1.434 -10.103 333 HD3 LYS 47 HD3 LYS 47 2.035 -2.772 -10.779 334 HE2 LYS 47 HE2 LYS 47 0.172 -2.235 -9.266 335 HE3 LYS 47 HE3 LYS 47 1.101 -0.884 -8.608 336 HZ1 LYS 47 HZ1 LYS 47 -0.466 -0.151 -10.296 337 HZ2 LYS 47 HZ2 LYS 47 0.239 -1.186 -11.430 338 HZ3 LYS 47 HZ3 LYS 47 1.127 0.110 -10.809 339 H ASP 48 H ASP 48 3.015 -7.104 -8.601 340 HA ASP 48 HA ASP 48 5.538 -6.638 -9.771 341 HB2 ASP 48 HB2 ASP 48 5.365 -7.809 -7.655 342 HB3 ASP 48 HB3 ASP 48 4.418 -9.093 -8.398 343 H THR 49 H THR 49 3.063 -9.084 -10.498 344 HA THR 49 HA THR 49 4.716 -10.309 -12.488 345 HB THR 49 HB THR 49 1.844 -11.036 -12.296 346 HG1 THR 49 HG1 THR 49 2.041 -11.858 -10.269 347 HG21 THR 49 HG21 THR 49 2.812 -13.300 -12.363 348 HG22 THR 49 HG22 THR 49 4.430 -12.605 -12.296 349 HG23 THR 49 HG23 THR 49 3.405 -12.307 -13.700 350 H LEU 50 H LEU 50 2.038 -7.995 -12.560 351 HA LEU 50 HA LEU 50 1.569 -8.196 -15.357 352 HB2 LEU 50 HB2 LEU 50 0.904 -6.078 -13.345 353 HB3 LEU 50 HB3 LEU 50 0.646 -5.809 -15.058 354 HG LEU 50 HG LEU 50 -0.646 -7.958 -13.374 355 HD11 LEU 50 HD11 LEU 50 -1.677 -5.454 -14.673 356 HD12 LEU 50 HD12 LEU 50 -1.583 -5.806 -12.946 357 HD13 LEU 50 HD13 LEU 50 -2.700 -6.711 -13.972 358 HD21 LEU 50 HD21 LEU 50 -1.012 -7.329 -16.303 359 HD22 LEU 50 HD22 LEU 50 -1.933 -8.508 -15.368 360 HD23 LEU 50 HD23 LEU 50 -0.210 -8.758 -15.650 361 H SER 51 H SER 51 3.839 -6.306 -13.437 362 HA SER 51 HA SER 51 4.822 -4.766 -15.620 363 HB2 SER 51 HB2 SER 51 6.173 -5.547 -13.025 364 HB3 SER 51 HB3 SER 51 6.738 -4.299 -14.136 365 HG SER 51 HG SER 51 4.653 -4.249 -12.319 366 H ARG 52 H ARG 52 5.454 -7.986 -14.443 367 HA ARG 52 HA ARG 52 7.858 -8.392 -15.976 368 HB2 ARG 52 HB2 ARG 52 6.089 -10.207 -14.346 369 HB3 ARG 52 HB3 ARG 52 7.500 -10.798 -15.215 370 HG2 ARG 52 HG2 ARG 52 8.978 -9.564 -13.871 371 HG3 ARG 52 HG3 ARG 52 7.682 -8.551 -13.233 372 HD2 ARG 52 HD2 ARG 52 8.458 -10.205 -11.593 373 HD3 ARG 52 HD3 ARG 52 6.765 -10.432 -12.020 374 HE ARG 52 HE ARG 52 8.628 -12.059 -13.525 375 HH11 ARG 52 HH11 ARG 52 6.607 -11.869 -10.644 376 HH12 ARG 52 HH12 ARG 52 6.480 -13.596 -10.487 377 HH21 ARG 52 HH21 ARG 52 8.457 -14.305 -13.304 378 HH22 ARG 52 HH22 ARG 52 7.536 -14.980 -11.992 379 H ASN 53 H ASN 53 4.436 -8.941 -16.462 380 HA ASN 53 HA ASN 53 4.916 -10.590 -18.826 381 HB2 ASN 53 HB2 ASN 53 2.352 -9.834 -17.405 382 HB3 ASN 53 HB3 ASN 53 2.402 -10.791 -18.879 383 HD21 ASN 53 HD21 ASN 53 1.376 -11.499 -16.271 384 HD22 ASN 53 HD22 ASN 53 2.256 -12.901 -15.767 385 H GLY 54 H GLY 54 3.990 -7.369 -17.964 386 HA2 GLY 54 HA2 GLY 54 3.929 -5.487 -19.341 387 HA3 GLY 54 HA3 GLY 54 4.022 -6.537 -20.746 388 H GLY 55 H GLY 55 1.675 -6.626 -18.084 389 HA2 GLY 55 HA2 GLY 55 -0.447 -6.146 -20.089 390 HA3 GLY 55 HA3 GLY 55 -0.603 -7.330 -18.800 391 H TYR 56 H TYR 56 0.667 -4.038 -18.640 392 HA TYR 56 HA TYR 56 -0.910 -3.397 -16.343 393 HB2 TYR 56 HB2 TYR 56 1.424 -2.527 -17.015 394 HB3 TYR 56 HB3 TYR 56 0.561 -1.413 -18.062 395 HD1 TYR 56 HD1 TYR 56 -1.154 0.180 -16.921 396 HD2 TYR 56 HD2 TYR 56 1.808 -2.015 -14.813 397 HE1 TYR 56 HE1 TYR 56 -1.293 1.795 -15.072 398 HE2 TYR 56 HE2 TYR 56 1.695 -0.403 -12.971 399 HH TYR 56 HH TYR 56 -0.757 1.871 -12.625 400 H LYS 57 H LYS 57 -3.056 -3.696 -17.079 401 HA LYS 57 HA LYS 57 -4.041 -1.644 -18.930 402 HB2 LYS 57 HB2 LYS 57 -5.380 -4.209 -18.040 403 HB3 LYS 57 HB3 LYS 57 -5.945 -3.118 -19.298 404 HG2 LYS 57 HG2 LYS 57 -4.144 -3.695 -20.730 405 HG3 LYS 57 HG3 LYS 57 -3.306 -4.552 -19.434 406 HD2 LYS 57 HD2 LYS 57 -5.219 -6.145 -19.348 407 HD3 LYS 57 HD3 LYS 57 -5.892 -5.340 -20.768 408 HE2 LYS 57 HE2 LYS 57 -3.804 -5.867 -21.994 409 HE3 LYS 57 HE3 LYS 57 -3.239 -6.760 -20.581 410 HZ1 LYS 57 HZ1 LYS 57 -4.203 -8.252 -22.183 411 HZ2 LYS 57 HZ2 LYS 57 -5.653 -7.375 -22.192 412 HZ3 LYS 57 HZ3 LYS 57 -5.179 -8.211 -20.798 413 H MET 58 H MET 58 -4.361 0.087 -17.537 414 HA MET 58 HA MET 58 -6.034 -0.134 -15.222 415 HB2 MET 58 HB2 MET 58 -5.307 2.255 -16.939 416 HB3 MET 58 HB3 MET 58 -6.299 2.362 -15.494 417 HG2 MET 58 HG2 MET 58 -4.418 1.480 -14.175 418 HG3 MET 58 HG3 MET 58 -3.431 1.468 -15.635 419 HE1 MET 58 HE1 MET 58 -3.069 5.257 -16.464 420 HE2 MET 58 HE2 MET 58 -4.217 4.101 -17.139 421 HE3 MET 58 HE3 MET 58 -2.545 3.618 -16.854 422 H VAL 59 H VAL 59 -8.244 -0.037 -15.104 423 HA VAL 59 HA VAL 59 -9.678 -0.432 -17.558 424 HB VAL 59 HB VAL 59 -11.618 -0.933 -16.292 425 HG11 VAL 59 HG11 VAL 59 -10.841 -2.611 -14.680 426 HG12 VAL 59 HG12 VAL 59 -9.221 -1.918 -14.757 427 HG13 VAL 59 HG13 VAL 59 -9.932 -2.659 -16.191 428 HG21 VAL 59 HG21 VAL 59 -11.847 -0.562 -13.879 429 HG22 VAL 59 HG22 VAL 59 -11.667 0.954 -14.764 430 HG23 VAL 59 HG23 VAL 59 -10.301 0.287 -13.868 431 H GLU 60 H GLU 60 -8.828 2.202 -15.673 432 HA GLU 60 HA GLU 60 -10.289 3.958 -17.472 433 HB2 GLU 60 HB2 GLU 60 -11.494 3.855 -15.277 434 HB3 GLU 60 HB3 GLU 60 -10.032 4.435 -14.495 435 HG2 GLU 60 HG2 GLU 60 -10.171 6.529 -15.660 436 HG3 GLU 60 HG3 GLU 60 -11.544 5.950 -16.607 437 H TYR 61 H TYR 61 -8.624 4.647 -18.634 438 HA TYR 61 HA TYR 61 -5.971 4.933 -17.576 439 HB2 TYR 61 HB2 TYR 61 -7.217 5.431 -20.262 440 HB3 TYR 61 HB3 TYR 61 -5.561 5.919 -19.933 441 HD1 TYR 61 HD1 TYR 61 -3.865 4.169 -19.372 442 HD2 TYR 61 HD2 TYR 61 -7.762 3.156 -20.742 443 HE1 TYR 61 HE1 TYR 61 -3.070 1.917 -19.941 444 HE2 TYR 61 HE2 TYR 61 -6.976 0.896 -21.310 445 HH TYR 61 HH TYR 61 -3.947 -0.311 -20.270 446 H GLY 62 H GLY 62 -8.649 7.042 -18.056 447 HA2 GLY 62 HA2 GLY 62 -6.950 9.365 -17.382 448 HA3 GLY 62 HA3 GLY 62 -8.485 9.471 -18.235 449 H GLY 63 H GLY 63 -7.596 7.654 -15.314 450 HA2 GLY 63 HA2 GLY 63 -9.694 9.155 -13.873 451 HA3 GLY 63 HA3 GLY 63 -9.343 7.456 -13.589 452 H ALA 64 H ALA 64 -8.614 7.378 -11.543 453 HA ALA 64 HA ALA 64 -6.323 9.088 -10.886 454 HB1 ALA 64 HB1 ALA 64 -7.091 9.263 -8.580 455 HB2 ALA 64 HB2 ALA 64 -8.533 8.323 -8.973 456 HB3 ALA 64 HB3 ALA 64 -8.297 9.918 -9.688 457 H GLN 65 H GLN 65 -4.609 7.962 -10.461 458 HA GLN 65 HA GLN 65 -4.890 5.125 -9.891 459 HB2 GLN 65 HB2 GLN 65 -2.350 5.129 -10.420 460 HB3 GLN 65 HB3 GLN 65 -3.499 5.263 -11.739 461 HG2 GLN 65 HG2 GLN 65 -2.560 7.824 -10.637 462 HG3 GLN 65 HG3 GLN 65 -1.321 6.835 -11.403 463 HE21 GLN 65 HE21 GLN 65 -4.631 6.697 -12.505 464 HE22 GLN 65 HE22 GLN 65 -4.379 7.551 -13.990 465 H ALA 66 H ALA 66 -5.343 5.138 -7.796 466 HA ALA 66 HA ALA 66 -3.499 6.253 -5.863 467 HB1 ALA 66 HB1 ALA 66 -5.888 6.060 -5.338 468 HB2 ALA 66 HB2 ALA 66 -4.879 5.205 -4.171 469 HB3 ALA 66 HB3 ALA 66 -5.750 4.303 -5.411 470 H GLU 67 H GLU 67 -3.045 3.956 -7.934 471 HA GLU 67 HA GLU 67 -2.132 1.667 -6.633 472 HB2 GLU 67 HB2 GLU 67 -0.976 2.866 -9.143 473 HB3 GLU 67 HB3 GLU 67 -1.018 1.170 -8.687 474 HG2 GLU 67 HG2 GLU 67 -3.367 1.057 -9.055 475 HG3 GLU 67 HG3 GLU 67 -3.472 2.806 -9.266 476 H TRP 68 H TRP 68 -0.196 1.085 -5.861 477 HA TRP 68 HA TRP 68 1.545 3.268 -5.141 478 HB2 TRP 68 HB2 TRP 68 1.527 0.396 -4.171 479 HB3 TRP 68 HB3 TRP 68 2.500 1.711 -3.501 480 HD1 TRP 68 HD1 TRP 68 -0.504 -0.038 -2.644 481 HE1 TRP 68 HE1 TRP 68 -2.198 1.427 -1.378 482 HE3 TRP 68 HE3 TRP 68 1.507 4.575 -3.600 483 HZ2 TRP 68 HZ2 TRP 68 -2.623 4.174 -0.859 484 HZ3 TRP 68 HZ3 TRP 68 0.394 6.557 -2.685 485 HH2 TRP 68 HH2 TRP 68 -1.629 6.362 -1.340 486 H HIS 69 H HIS 69 2.926 3.847 -6.594 487 HA HIS 69 HA HIS 69 4.905 1.921 -7.450 488 HB2 HIS 69 HB2 HIS 69 4.851 2.852 -9.848 489 HB3 HIS 69 HB3 HIS 69 3.640 1.683 -9.389 490 HD1 HIS 69 HD1 HIS 69 4.039 4.988 -10.912 491 HD2 HIS 69 HD2 HIS 69 0.999 2.857 -9.045 492 HE1 HIS 69 HE1 HIS 69 1.905 6.169 -11.521 493 HE2 HIS 69 HE2 HIS 69 0.110 4.962 -10.248 494 H GLU 70 H GLU 70 4.497 5.154 -8.829 495 HA GLU 70 HA GLU 70 7.257 5.729 -8.199 496 HB2 GLU 70 HB2 GLU 70 5.158 7.355 -9.651 497 HB3 GLU 70 HB3 GLU 70 6.871 7.745 -9.575 498 HG2 GLU 70 HG2 GLU 70 7.451 5.839 -10.870 499 HG3 GLU 70 HG3 GLU 70 5.821 5.182 -10.740 500 H GLN 71 H GLN 71 4.082 6.873 -7.334 501 HA GLN 71 HA GLN 71 4.862 9.019 -5.630 502 HB2 GLN 71 HB2 GLN 71 2.316 7.399 -5.802 503 HB3 GLN 71 HB3 GLN 71 2.503 8.809 -4.780 504 HG2 GLN 71 HG2 GLN 71 1.348 9.555 -6.648 505 HG3 GLN 71 HG3 GLN 71 3.001 10.103 -6.895 506 HE21 GLN 71 HE21 GLN 71 2.721 10.320 -9.068 507 HE22 GLN 71 HE22 GLN 71 2.570 8.978 -10.150 508 H ALA 72 H ALA 72 4.419 5.613 -5.272 509 HA ALA 72 HA ALA 72 4.114 5.529 -2.454 510 HB1 ALA 72 HB1 ALA 72 3.263 3.766 -3.907 511 HB2 ALA 72 HB2 ALA 72 4.358 3.133 -2.674 512 HB3 ALA 72 HB3 ALA 72 4.919 3.332 -4.333 513 H GLU 73 H GLU 73 6.896 5.615 -4.542 514 HA GLU 73 HA GLU 73 8.878 4.512 -2.939 515 HB2 GLU 73 HB2 GLU 73 9.148 5.204 -5.294 516 HB3 GLU 73 HB3 GLU 73 9.108 6.888 -4.796 517 HG2 GLU 73 HG2 GLU 73 11.145 6.511 -3.463 518 HG3 GLU 73 HG3 GLU 73 11.193 4.850 -4.054 519 H LYS 74 H LYS 74 7.503 7.767 -2.848 520 HA LYS 74 HA LYS 74 9.280 8.776 -0.841 521 HB2 LYS 74 HB2 LYS 74 6.524 9.812 -1.572 522 HB3 LYS 74 HB3 LYS 74 7.761 10.681 -0.686 523 HG2 LYS 74 HG2 LYS 74 8.090 11.635 -2.700 524 HG3 LYS 74 HG3 LYS 74 9.114 10.220 -2.948 525 HD2 LYS 74 HD2 LYS 74 7.227 9.070 -4.030 526 HD3 LYS 74 HD3 LYS 74 6.236 10.507 -3.801 527 HE2 LYS 74 HE2 LYS 74 8.797 10.480 -5.387 528 HE3 LYS 74 HE3 LYS 74 7.204 10.227 -6.097 529 HZ1 LYS 74 HZ1 LYS 74 8.110 12.662 -4.654 530 HZ2 LYS 74 HZ2 LYS 74 6.546 12.417 -5.270 531 HZ3 LYS 74 HZ3 LYS 74 7.870 12.516 -6.325 532 H VAL 75 H VAL 75 6.144 7.263 -0.876 533 HA VAL 75 HA VAL 75 5.395 7.858 1.807 534 HB VAL 75 HB VAL 75 4.222 5.838 -0.122 535 HG11 VAL 75 HG11 VAL 75 3.459 5.519 2.167 536 HG12 VAL 75 HG12 VAL 75 2.163 6.122 1.133 537 HG13 VAL 75 HG13 VAL 75 2.982 7.216 2.249 538 HG21 VAL 75 HG21 VAL 75 4.291 8.064 -1.116 539 HG22 VAL 75 HG22 VAL 75 3.474 8.729 0.300 540 HG23 VAL 75 HG23 VAL 75 2.636 7.580 -0.744 541 H GLU 76 H GLU 76 6.792 5.023 0.214 542 HA GLU 76 HA GLU 76 6.448 3.214 2.366 543 HB2 GLU 76 HB2 GLU 76 7.863 1.686 1.097 544 HB3 GLU 76 HB3 GLU 76 6.704 2.474 0.046 545 HG2 GLU 76 HG2 GLU 76 8.414 2.839 -1.311 546 HG3 GLU 76 HG3 GLU 76 8.904 4.098 -0.177 547 H ALA 77 H ALA 77 9.110 5.349 1.489 548 HA ALA 77 HA ALA 77 10.992 4.432 3.372 549 HB1 ALA 77 HB1 ALA 77 11.561 5.860 1.469 550 HB2 ALA 77 HB2 ALA 77 12.120 6.553 2.994 551 HB3 ALA 77 HB3 ALA 77 10.674 7.191 2.212 552 H TYR 78 H TYR 78 8.344 6.698 3.580 553 HA TYR 78 HA TYR 78 8.922 7.728 6.163 554 HB2 TYR 78 HB2 TYR 78 7.490 8.846 4.474 555 HB3 TYR 78 HB3 TYR 78 6.285 7.580 4.694 556 HD1 TYR 78 HD2 TYR 78 8.024 10.368 6.427 557 HD2 TYR 78 HD1 TYR 78 4.703 7.715 6.412 558 HE1 TYR 78 HE2 TYR 78 6.963 11.691 8.204 559 HE2 TYR 78 HE1 TYR 78 3.638 9.026 8.185 560 HH TYR 78 HH TYR 78 4.860 12.105 9.184 561 H LEU 79 H LEU 79 7.067 4.966 4.991 562 HA LEU 79 HA LEU 79 5.850 4.247 7.443 563 HB2 LEU 79 HB2 LEU 79 5.156 3.479 5.171 564 HB3 LEU 79 HB3 LEU 79 6.599 2.503 5.081 565 HG LEU 79 HG LEU 79 4.346 1.369 5.589 566 HD11 LEU 79 HD11 LEU 79 6.442 0.183 5.708 567 HD12 LEU 79 HD12 LEU 79 5.370 -0.316 7.017 568 HD13 LEU 79 HD13 LEU 79 6.717 0.782 7.347 569 HD21 LEU 79 HD21 LEU 79 3.555 2.841 7.329 570 HD22 LEU 79 HD22 LEU 79 4.949 2.447 8.336 571 HD23 LEU 79 HD23 LEU 79 3.752 1.205 7.961 572 H VAL 80 H VAL 80 8.895 3.271 5.900 573 HA VAL 80 HA VAL 80 9.644 1.403 7.895 574 HB VAL 80 HB VAL 80 11.373 2.828 5.853 575 HG11 VAL 80 HG11 VAL 80 13.001 1.033 6.172 576 HG12 VAL 80 HG12 VAL 80 12.004 0.343 7.454 577 HG13 VAL 80 HG13 VAL 80 12.752 1.924 7.674 578 HG21 VAL 80 HG21 VAL 80 10.093 0.096 5.819 579 HG22 VAL 80 HG22 VAL 80 11.176 0.738 4.585 580 HG23 VAL 80 HG23 VAL 80 9.603 1.489 4.855 581 H GLU 81 H GLU 81 10.276 4.904 7.581 582 HA GLU 81 HA GLU 81 12.037 4.897 9.850 583 HB2 GLU 81 HB2 GLU 81 12.138 7.274 9.667 584 HB3 GLU 81 HB3 GLU 81 12.228 6.590 8.055 585 HG2 GLU 81 HG2 GLU 81 9.946 7.206 7.618 586 HG3 GLU 81 HG3 GLU 81 9.748 7.772 9.277 587 H LYS 82 H LYS 82 8.592 5.074 9.477 588 HA LYS 82 HA LYS 82 8.163 6.125 12.128 589 HB2 LYS 82 HB2 LYS 82 6.342 5.157 9.958 590 HB3 LYS 82 HB3 LYS 82 5.723 5.345 11.591 591 HG2 LYS 82 HG2 LYS 82 6.852 7.463 9.779 592 HG3 LYS 82 HG3 LYS 82 5.219 7.344 10.439 593 HD2 LYS 82 HD2 LYS 82 6.217 7.592 12.717 594 HD3 LYS 82 HD3 LYS 82 7.762 7.933 11.940 595 HE2 LYS 82 HE2 LYS 82 6.795 10.024 12.464 596 HE3 LYS 82 HE3 LYS 82 6.596 9.804 10.724 597 HZ1 LYS 82 HZ1 LYS 82 4.579 10.644 11.793 598 HZ2 LYS 82 HZ2 LYS 82 4.500 9.247 12.757 599 HZ3 LYS 82 HZ3 LYS 82 4.327 9.129 11.078 600 H GLN 83 H GLN 83 8.324 3.004 10.637 601 HA GLN 83 HA GLN 83 8.473 0.883 11.415 602 HB2 GLN 83 HB2 GLN 83 8.661 2.215 14.120 603 HB3 GLN 83 HB3 GLN 83 8.840 0.483 13.871 604 HG2 GLN 83 HG2 GLN 83 10.559 2.480 12.444 605 HG3 GLN 83 HG3 GLN 83 10.953 1.875 14.056 606 HE21 GLN 83 HE21 GLN 83 10.506 1.020 10.710 607 HE22 GLN 83 HE22 GLN 83 11.321 -0.506 10.790 608 H ASP 84 H ASP 84 5.835 2.508 11.391 609 HA ASP 84 HA ASP 84 4.143 0.557 12.681 610 HB2 ASP 84 HB2 ASP 84 4.844 2.106 14.517 611 HB3 ASP 84 HB3 ASP 84 4.125 3.441 13.619 612 HA PRO 85 HA PRO 85 1.929 1.839 9.038 613 HB2 PRO 85 HB2 PRO 85 -0.081 0.104 9.170 614 HB3 PRO 85 HB3 PRO 85 1.582 -0.439 8.915 615 HG2 PRO 85 HG2 PRO 85 0.010 -0.344 11.473 616 HG3 PRO 85 HG3 PRO 85 0.923 -1.703 10.783 617 HD2 PRO 85 HD2 PRO 85 1.970 -0.097 12.676 618 HD3 PRO 85 HD3 PRO 85 2.959 -0.811 11.386 619 H THR 86 H THR 86 0.829 2.629 12.146 620 HA THR 86 HA THR 86 -1.534 3.932 10.977 621 HB THR 86 HB THR 86 -2.230 2.020 12.380 622 HG1 THR 86 HG1 THR 86 -3.898 3.262 12.613 623 HG21 THR 86 HG21 THR 86 -2.047 2.110 14.810 624 HG22 THR 86 HG22 THR 86 -1.048 3.558 14.689 625 HG23 THR 86 HG23 THR 86 -0.457 2.023 14.051 626 H ASP 87 H ASP 87 1.438 4.531 12.142 627 HA ASP 87 HA ASP 87 0.738 6.902 13.672 628 HB2 ASP 87 HB2 ASP 87 2.713 5.453 14.302 629 HB3 ASP 87 HB3 ASP 87 3.522 6.049 12.850 630 H ILE 88 H ILE 88 -0.401 7.956 12.109 631 HA ILE 88 HA ILE 88 1.091 9.722 10.407 632 HB ILE 88 HB ILE 88 0.907 7.706 8.956 633 HG12 ILE 88 HG12 ILE 88 -0.208 8.739 6.984 634 HG13 ILE 88 HG13 ILE 88 -0.842 9.996 8.037 635 HG21 ILE 88 HG21 ILE 88 -2.071 8.038 9.272 636 HG22 ILE 88 HG22 ILE 88 -1.091 6.686 9.841 637 HG23 ILE 88 HG23 ILE 88 -1.288 6.967 8.109 638 HD11 ILE 88 HD11 ILE 88 1.412 10.744 8.520 639 HD12 ILE 88 HD12 ILE 88 1.095 10.748 6.784 640 HD13 ILE 88 HD13 ILE 88 2.066 9.462 7.501 641 H LYS 89 H LYS 89 -0.199 11.552 9.864 642 HA LYS 89 HA LYS 89 -3.057 11.407 10.438 643 HB2 LYS 89 HB2 LYS 89 -1.781 12.481 12.375 644 HB3 LYS 89 HB3 LYS 89 -1.417 13.801 11.276 645 HG2 LYS 89 HG2 LYS 89 -3.771 14.285 11.021 646 HG3 LYS 89 HG3 LYS 89 -4.187 12.900 12.032 647 HD2 LYS 89 HD2 LYS 89 -2.990 13.936 13.910 648 HD3 LYS 89 HD3 LYS 89 -2.635 15.337 12.897 649 HE2 LYS 89 HE2 LYS 89 -5.011 15.780 12.649 650 HE3 LYS 89 HE3 LYS 89 -5.395 14.351 13.604 651 HZ1 LYS 89 HZ1 LYS 89 -4.281 15.368 15.496 652 HZ2 LYS 89 HZ2 LYS 89 -5.540 16.350 14.932 653 HZ3 LYS 89 HZ3 LYS 89 -3.934 16.745 14.574 654 H TYR 90 H TYR 90 -4.307 12.637 9.098 655 HA TYR 90 HA TYR 90 -2.909 13.827 6.789 656 HB2 TYR 90 HB2 TYR 90 -5.668 12.577 6.828 657 HB3 TYR 90 HB3 TYR 90 -4.801 13.162 5.412 658 HD1 TYR 90 HD2 TYR 90 -2.457 12.023 5.007 659 HD2 TYR 90 HD1 TYR 90 -5.602 10.337 7.312 660 HE1 TYR 90 HE2 TYR 90 -1.463 9.791 4.714 661 HE2 TYR 90 HE1 TYR 90 -4.617 8.101 7.036 662 HH TYR 90 HH TYR 90 -3.131 6.936 5.504 663 H LYS 91 H LYS 91 -3.543 15.854 6.080 664 HA LYS 91 HA LYS 91 -5.675 17.121 7.670 665 HB2 LYS 91 HB2 LYS 91 -4.158 19.269 7.038 666 HB3 LYS 91 HB3 LYS 91 -3.969 18.359 8.523 667 HG2 LYS 91 HG2 LYS 91 -1.796 18.785 7.635 668 HG3 LYS 91 HG3 LYS 91 -2.120 17.071 7.420 669 HD2 LYS 91 HD2 LYS 91 -1.037 17.872 5.445 670 HD3 LYS 91 HD3 LYS 91 -2.722 17.568 5.036 671 HE2 LYS 91 HE2 LYS 91 -2.048 19.630 4.020 672 HE3 LYS 91 HE3 LYS 91 -3.186 19.983 5.314 673 HZ1 LYS 91 HZ1 LYS 91 -1.351 21.527 5.326 674 HZ2 LYS 91 HZ2 LYS 91 -0.236 20.265 5.491 675 HZ3 LYS 91 HZ3 LYS 91 -1.339 20.593 6.737 676 H ASP 92 H ASP 92 -6.845 16.181 5.670 677 HA ASP 92 HA ASP 92 -7.754 18.512 4.280 678 HB2 ASP 92 HB2 ASP 92 -7.423 17.724 2.004 679 HB3 ASP 92 HB3 ASP 92 -5.859 17.775 2.803 680 H ASN 93 H ASN 93 -9.206 17.019 2.275 681 HA ASN 93 HA ASN 93 -11.191 15.721 3.971 682 HB2 ASN 93 HB2 ASN 93 -12.668 15.945 1.959 683 HB3 ASN 93 HB3 ASN 93 -12.099 17.461 2.636 684 HD21 ASN 93 HD21 ASN 93 -10.739 18.758 1.457 685 HD22 ASN 93 HD22 ASN 93 -10.411 18.490 -0.221 686 H ASP 94 H ASP 94 -8.601 14.561 2.181 687 HA ASP 94 HA ASP 94 -10.126 12.156 1.362 688 HB2 ASP 94 HB2 ASP 94 -9.016 13.664 -0.507 689 HB3 ASP 94 HB3 ASP 94 -7.541 12.880 0.014 690 H GLY 95 H GLY 95 -6.800 13.239 2.017 691 HA2 GLY 95 HA2 GLY 95 -5.973 11.772 4.067 692 HA3 GLY 95 HA3 GLY 95 -6.098 10.525 2.831 693 H HIS 96 H HIS 96 -4.994 13.880 2.701 694 HA HIS 96 HA HIS 96 -2.450 12.986 1.540 695 HB2 HIS 96 HB2 HIS 96 -3.881 15.642 1.532 696 HB3 HIS 96 HB3 HIS 96 -2.207 15.475 1.022 697 HD1 HIS 96 HD1 HIS 96 -5.679 15.077 -0.129 698 HD2 HIS 96 HD2 HIS 96 -1.899 13.891 -1.359 699 HE1 HIS 96 HE1 HIS 96 -5.955 14.343 -2.515 700 HE2 HIS 96 HE2 HIS 96 -3.620 13.813 -3.290 701 H THR 97 H THR 97 -0.501 13.827 2.365 702 HA THR 97 HA THR 97 -0.731 14.670 5.161 703 HB THR 97 HB THR 97 -0.172 12.371 5.262 704 HG1 THR 97 HG1 THR 97 1.058 13.543 6.708 705 HG21 THR 97 HG21 THR 97 2.048 12.893 3.288 706 HG22 THR 97 HG22 THR 97 0.558 12.001 2.977 707 HG23 THR 97 HG23 THR 97 1.748 11.362 4.115 708 H ASP 98 H ASP 98 0.647 16.128 5.923 709 HA ASP 98 HA ASP 98 2.059 17.801 4.020 710 HB2 ASP 98 HB2 ASP 98 0.549 18.598 5.928 711 HB3 ASP 98 HB3 ASP 98 1.847 18.135 7.016 712 H ALA 99 H ALA 99 2.773 15.196 6.016 713 HA ALA 99 HA ALA 99 5.434 15.947 6.790 714 HB1 ALA 99 HB1 ALA 99 5.555 13.706 7.731 715 HB2 ALA 99 HB2 ALA 99 4.030 13.287 6.948 716 HB3 ALA 99 HB3 ALA 99 4.066 14.521 8.208 717 H ILE 100 H ILE 100 4.020 13.678 4.393 718 HA ILE 100 HA ILE 100 6.666 13.024 3.401 719 HB ILE 100 HB ILE 100 4.020 12.212 2.167 720 HG12 ILE 100 HG12 ILE 100 5.743 10.662 4.119 721 HG13 ILE 100 HG13 ILE 100 4.239 11.469 4.544 722 HG21 ILE 100 HG21 ILE 100 5.353 10.413 1.152 723 HG22 ILE 100 HG22 ILE 100 6.806 11.064 1.910 724 HG23 ILE 100 HG23 ILE 100 5.956 12.004 0.683 725 HD11 ILE 100 HD11 ILE 100 3.009 9.993 3.057 726 HD12 ILE 100 HD12 ILE 100 3.940 9.067 4.236 727 HD13 ILE 100 HD13 ILE 100 4.514 9.209 2.575 728 H SER 101 H SER 101 7.619 14.654 2.445 729 HA SER 101 HA SER 101 6.354 16.496 0.664 730 HB2 SER 101 HB2 SER 101 9.307 15.958 1.097 731 HB3 SER 101 HB3 SER 101 8.604 17.389 0.343 732 HG SER 101 HG SER 101 7.389 17.342 2.569 733 H GLY 102 H GLY 102 5.578 15.782 -1.186 734 HA2 GLY 102 HA2 GLY 102 6.451 15.408 -3.511 735 HA3 GLY 102 HA3 GLY 102 7.282 14.017 -2.831 736 H ALA 103 H ALA 103 4.633 13.823 -1.106 737 HA ALA 103 HA ALA 103 3.361 12.015 -3.001 738 HB1 ALA 103 HB1 ALA 103 2.798 12.424 -0.067 739 HB2 ALA 103 HB2 ALA 103 3.857 11.192 -0.753 740 HB3 ALA 103 HB3 ALA 103 2.127 11.154 -1.093 741 H THR 104 H THR 104 2.241 13.238 -4.397 742 HA THR 104 HA THR 104 0.289 15.175 -3.448 743 HB THR 104 HB THR 104 -0.165 15.410 -5.959 744 HG1 THR 104 HG1 THR 104 1.239 14.434 -7.341 745 HG21 THR 104 HG21 THR 104 1.878 16.740 -6.320 746 HG22 THR 104 HG22 THR 104 2.603 15.988 -4.898 747 HG23 THR 104 HG23 THR 104 1.184 17.021 -4.722 748 H ILE 105 H ILE 105 0.403 11.892 -4.000 749 HA ILE 105 HA ILE 105 -2.411 11.576 -4.657 750 HB ILE 105 HB ILE 105 -0.472 10.207 -5.611 751 HG12 ILE 105 HG12 ILE 105 -3.017 9.586 -5.554 752 HG13 ILE 105 HG13 ILE 105 -1.830 8.430 -6.124 753 HG21 ILE 105 HG21 ILE 105 0.789 9.763 -3.636 754 HG22 ILE 105 HG22 ILE 105 0.259 8.231 -4.332 755 HG23 ILE 105 HG23 ILE 105 -0.560 8.888 -2.914 756 HD11 ILE 105 HD11 ILE 105 -3.547 7.407 -4.721 757 HD12 ILE 105 HD12 ILE 105 -3.069 8.448 -3.379 758 HD13 ILE 105 HD13 ILE 105 -1.942 7.247 -4.010 759 H LYS 106 H LYS 106 -3.933 10.642 -3.198 760 HA LYS 106 HA LYS 106 -3.599 11.091 -0.465 761 HB2 LYS 106 HB2 LYS 106 -5.669 9.427 -0.369 762 HB3 LYS 106 HB3 LYS 106 -5.806 11.092 -0.906 763 HG2 LYS 106 HG2 LYS 106 -6.995 10.022 -2.531 764 HG3 LYS 106 HG3 LYS 106 -5.400 10.050 -3.276 765 HD2 LYS 106 HD2 LYS 106 -6.219 7.874 -3.631 766 HD3 LYS 106 HD3 LYS 106 -5.078 7.723 -2.295 767 HE2 LYS 106 HE2 LYS 106 -7.067 6.432 -1.821 768 HE3 LYS 106 HE3 LYS 106 -6.964 7.799 -0.709 769 HZ1 LYS 106 HZ1 LYS 106 -8.594 8.978 -1.985 770 HZ2 LYS 106 HZ2 LYS 106 -9.211 7.442 -1.624 771 HZ3 LYS 106 HZ3 LYS 106 -8.621 7.770 -3.175 772 H VAL 107 H VAL 107 -2.269 10.232 0.765 773 HA VAL 107 HA VAL 107 -1.071 7.649 0.526 774 HB VAL 107 HB VAL 107 -0.873 9.940 2.496 775 HG11 VAL 107 HG11 VAL 107 -0.296 7.925 3.746 776 HG12 VAL 107 HG12 VAL 107 1.120 8.938 3.455 777 HG13 VAL 107 HG13 VAL 107 0.861 7.484 2.490 778 HG21 VAL 107 HG21 VAL 107 0.002 10.272 0.245 779 HG22 VAL 107 HG22 VAL 107 1.048 8.865 0.460 780 HG23 VAL 107 HG23 VAL 107 1.276 10.297 1.465 781 H LYS 108 H LYS 108 -3.963 8.688 1.825 782 HA LYS 108 HA LYS 108 -4.301 7.386 4.252 783 HB2 LYS 108 HB2 LYS 108 -5.803 9.074 2.945 784 HB3 LYS 108 HB3 LYS 108 -6.537 7.638 2.255 785 HG2 LYS 108 HG2 LYS 108 -6.329 7.880 5.221 786 HG3 LYS 108 HG3 LYS 108 -7.558 8.800 4.364 787 HD2 LYS 108 HD2 LYS 108 -7.221 5.812 4.139 788 HD3 LYS 108 HD3 LYS 108 -8.332 6.602 5.259 789 HE2 LYS 108 HE2 LYS 108 -8.385 6.873 2.254 790 HE3 LYS 108 HE3 LYS 108 -9.453 5.842 3.206 791 HZ1 LYS 108 HZ1 LYS 108 -9.289 8.807 3.403 792 HZ2 LYS 108 HZ2 LYS 108 -10.330 7.814 4.297 793 HZ3 LYS 108 HZ3 LYS 108 -10.513 7.938 2.617 794 H LYS 109 H LYS 109 -4.712 6.104 0.962 795 HA LYS 109 HA LYS 109 -5.930 3.646 1.635 796 HB2 LYS 109 HB2 LYS 109 -5.884 4.736 -0.615 797 HB3 LYS 109 HB3 LYS 109 -4.189 4.306 -0.747 798 HG2 LYS 109 HG2 LYS 109 -5.047 2.563 -1.900 799 HG3 LYS 109 HG3 LYS 109 -5.200 1.874 -0.285 800 HD2 LYS 109 HD2 LYS 109 -7.496 2.399 -0.165 801 HD3 LYS 109 HD3 LYS 109 -7.408 3.467 -1.569 802 HE2 LYS 109 HE2 LYS 109 -6.658 1.311 -2.814 803 HE3 LYS 109 HE3 LYS 109 -7.386 0.479 -1.441 804 HZ1 LYS 109 HZ1 LYS 109 -9.464 1.694 -1.915 805 HZ2 LYS 109 HZ2 LYS 109 -8.989 0.693 -3.190 806 HZ3 LYS 109 HZ3 LYS 109 -8.742 2.363 -3.296 807 H PHE 110 H PHE 110 -2.537 4.618 1.356 808 HA PHE 110 HA PHE 110 -1.368 2.053 1.363 809 HB2 PHE 110 HB2 PHE 110 -0.093 3.970 0.593 810 HB3 PHE 110 HB3 PHE 110 -0.230 4.744 2.166 811 HD1 PHE 110 HD1 PHE 110 1.211 1.739 0.497 812 HD2 PHE 110 HD2 PHE 110 1.393 4.460 3.758 813 HE1 PHE 110 HE1 PHE 110 3.313 0.695 1.251 814 HE2 PHE 110 HE2 PHE 110 3.484 3.428 4.519 815 HZ PHE 110 HZ PHE 110 4.439 1.538 3.280 816 H PHE 111 H PHE 111 -1.663 4.419 4.005 817 HA PHE 111 HA PHE 111 -0.607 2.636 5.952 818 HB2 PHE 111 HB2 PHE 111 -1.919 5.319 6.093 819 HB3 PHE 111 HB3 PHE 111 -1.630 4.405 7.567 820 HD1 PHE 111 HD1 PHE 111 0.634 3.994 8.353 821 HD2 PHE 111 HD2 PHE 111 -0.075 6.262 4.826 822 HE1 PHE 111 HE1 PHE 111 2.941 4.833 8.436 823 HE2 PHE 111 HE2 PHE 111 2.236 7.103 4.904 824 HZ PHE 111 HZ PHE 111 3.743 6.388 6.711 825 H ASP 112 H ASP 112 -3.832 3.262 4.803 826 HA ASP 112 HA ASP 112 -5.390 2.132 6.871 827 HB2 ASP 112 HB2 ASP 112 -6.085 3.368 4.670 828 HB3 ASP 112 HB3 ASP 112 -6.037 1.773 3.965 829 H LEU 113 H LEU 113 -3.973 0.775 3.973 830 HA LEU 113 HA LEU 113 -4.997 -1.852 4.430 831 HB2 LEU 113 HB2 LEU 113 -3.505 -0.433 2.323 832 HB3 LEU 113 HB3 LEU 113 -3.215 -2.139 2.435 833 HG LEU 113 HG LEU 113 -4.910 -1.816 0.795 834 HD11 LEU 113 HD11 LEU 113 -6.745 -3.100 1.750 835 HD12 LEU 113 HD12 LEU 113 -6.136 -2.763 3.372 836 HD13 LEU 113 HD13 LEU 113 -5.176 -3.730 2.253 837 HD21 LEU 113 HD21 LEU 113 -7.058 -0.736 1.293 838 HD22 LEU 113 HD22 LEU 113 -5.708 0.393 1.422 839 HD23 LEU 113 HD23 LEU 113 -6.448 -0.267 2.882 840 H ALA 114 H ALA 114 -1.950 -0.218 4.973 841 HA ALA 114 HA ALA 114 -0.411 -2.482 5.622 842 HB1 ALA 114 HB1 ALA 114 1.099 -0.925 6.703 843 HB2 ALA 114 HB2 ALA 114 -0.146 0.324 6.672 844 HB3 ALA 114 HB3 ALA 114 0.538 -0.277 5.161 845 H GLN 115 H GLN 115 -2.695 -0.585 7.513 846 HA GLN 115 HA GLN 115 -2.190 -1.766 10.067 847 HB2 GLN 115 HB2 GLN 115 -4.581 -0.354 8.898 848 HB3 GLN 115 HB3 GLN 115 -4.586 -0.992 10.536 849 HG2 GLN 115 HG2 GLN 115 -2.848 0.483 11.190 850 HG3 GLN 115 HG3 GLN 115 -2.580 0.997 9.524 851 HE21 GLN 115 HE21 GLN 115 -3.946 2.470 8.597 852 HE22 GLN 115 HE22 GLN 115 -5.138 3.351 9.492 853 H LYS 116 H LYS 116 -4.214 -2.575 7.352 854 HA LYS 116 HA LYS 116 -5.764 -4.578 8.647 855 HB2 LYS 116 HB2 LYS 116 -5.422 -3.733 5.780 856 HB3 LYS 116 HB3 LYS 116 -6.435 -5.099 6.233 857 HG2 LYS 116 HG2 LYS 116 -7.923 -3.736 7.442 858 HG3 LYS 116 HG3 LYS 116 -6.805 -2.373 7.441 859 HD2 LYS 116 HD2 LYS 116 -8.581 -1.943 5.869 860 HD3 LYS 116 HD3 LYS 116 -7.082 -2.209 4.982 861 HE2 LYS 116 HE2 LYS 116 -8.861 -3.354 3.841 862 HE3 LYS 116 HE3 LYS 116 -7.804 -4.555 4.577 863 HZ1 LYS 116 HZ1 LYS 116 -10.401 -3.631 5.679 864 HZ2 LYS 116 HZ2 LYS 116 -9.391 -4.796 6.378 865 HZ3 LYS 116 HZ3 LYS 116 -10.127 -5.103 4.885 866 H ALA 117 H ALA 117 -2.675 -4.586 7.047 867 HA ALA 117 HA ALA 117 -2.486 -7.348 6.467 868 HB1 ALA 117 HB1 ALA 117 -0.089 -6.944 6.305 869 HB2 ALA 117 HB2 ALA 117 -0.298 -5.369 7.073 870 HB3 ALA 117 HB3 ALA 117 -1.003 -5.676 5.485 871 H LEU 118 H LEU 118 -2.086 -5.517 9.402 872 HA LEU 118 HA LEU 118 -0.799 -7.809 10.725 873 HB2 LEU 118 HB2 LEU 118 -0.783 -4.895 11.475 874 HB3 LEU 118 HB3 LEU 118 0.126 -6.171 12.268 875 HG LEU 118 HG LEU 118 0.550 -5.807 9.355 876 HD11 LEU 118 HD11 LEU 118 1.682 -3.962 11.431 877 HD12 LEU 118 HD12 LEU 118 0.486 -3.545 10.199 878 HD13 LEU 118 HD13 LEU 118 2.121 -4.016 9.721 879 HD21 LEU 118 HD21 LEU 118 2.374 -6.371 11.682 880 HD22 LEU 118 HD22 LEU 118 2.834 -6.371 9.980 881 HD23 LEU 118 HD23 LEU 118 1.691 -7.570 10.584 882 H LYS 119 H LYS 119 -3.763 -7.016 10.330 883 HA LYS 119 HA LYS 119 -4.860 -6.445 12.869 884 HB2 LYS 119 HB2 LYS 119 -7.017 -7.151 11.898 885 HB3 LYS 119 HB3 LYS 119 -6.119 -6.048 10.858 886 HG2 LYS 119 HG2 LYS 119 -6.196 -7.485 9.183 887 HG3 LYS 119 HG3 LYS 119 -5.462 -8.747 10.168 888 HD2 LYS 119 HD2 LYS 119 -7.546 -9.565 9.361 889 HD3 LYS 119 HD3 LYS 119 -7.724 -9.242 11.083 890 HE2 LYS 119 HE2 LYS 119 -8.894 -7.181 10.617 891 HE3 LYS 119 HE3 LYS 119 -8.617 -7.379 8.885 892 HZ1 LYS 119 HZ1 LYS 119 -10.847 -8.076 9.494 893 HZ2 LYS 119 HZ2 LYS 119 -10.224 -9.195 10.602 894 HZ3 LYS 119 HZ3 LYS 119 -9.945 -9.402 8.945 895 H ASP 120 H ASP 120 -4.202 -9.566 11.296 896 HA ASP 120 HA ASP 120 -4.955 -10.985 13.737 897 HB2 ASP 120 HB2 ASP 120 -3.820 -12.044 11.128 898 HB3 ASP 120 HB3 ASP 120 -4.308 -13.036 12.495 899 H ALA 121 H ALA 121 -2.266 -9.698 12.088 900 HA ALA 121 HA ALA 121 -0.022 -9.886 12.086 901 HB1 ALA 121 HB1 ALA 121 -0.406 -10.353 15.036 902 HB2 ALA 121 HB2 ALA 121 -0.392 -8.780 14.234 903 HB3 ALA 121 HB3 ALA 121 1.063 -9.778 14.243 904 H GLU 122 H GLU 122 -1.551 -12.420 11.721 905 HA GLU 122 HA GLU 122 0.729 -14.242 11.974 906 HB2 GLU 122 HB2 GLU 122 -2.153 -14.960 12.607 907 HB3 GLU 122 HB3 GLU 122 -0.845 -16.123 12.455 908 HG2 GLU 122 HG2 GLU 122 0.294 -14.911 14.348 909 HG3 GLU 122 HG3 GLU 122 -1.210 -14.018 14.563 910 H LYS 123 H LYS 123 -0.526 -12.559 9.829 911 HA LYS 123 HA LYS 123 -1.846 -14.448 8.051 912 HB2 LYS 123 HB2 LYS 123 -1.151 -11.575 7.439 913 HB3 LYS 123 HB3 LYS 123 -2.364 -12.580 6.660 914 HG2 LYS 123 HG2 LYS 123 -3.558 -12.634 8.886 915 HG3 LYS 123 HG3 LYS 123 -2.443 -11.373 9.407 916 HD2 LYS 123 HD2 LYS 123 -4.436 -10.300 8.674 917 HD3 LYS 123 HD3 LYS 123 -3.207 -10.014 7.442 918 HE2 LYS 123 HE2 LYS 123 -5.367 -10.576 6.436 919 HE3 LYS 123 HE3 LYS 123 -4.153 -11.799 6.070 920 HZ1 LYS 123 HZ1 LYS 123 -6.283 -12.784 6.683 921 HZ2 LYS 123 HZ2 LYS 123 -6.222 -12.020 8.196 922 HZ3 LYS 123 HZ3 LYS 123 -5.079 -13.200 7.798 923 H LEU 124 H LEU 124 0.004 -15.823 7.736 924 HA LEU 124 HA LEU 124 2.187 -14.625 6.184 925 HB2 LEU 124 HB2 LEU 124 2.798 -15.712 8.322 926 HB3 LEU 124 HB3 LEU 124 2.133 -17.220 7.732 927 HG LEU 124 HG LEU 124 3.856 -17.224 5.929 928 HD11 LEU 124 HD11 LEU 124 5.780 -15.739 6.129 929 HD12 LEU 124 HD12 LEU 124 4.986 -14.882 7.450 930 HD13 LEU 124 HD13 LEU 124 4.297 -14.833 5.827 931 HD21 LEU 124 HD21 LEU 124 4.901 -17.084 8.752 932 HD22 LEU 124 HD22 LEU 124 5.718 -17.846 7.387 933 HD23 LEU 124 HD23 LEU 124 4.186 -18.496 7.974 934 H GLU 125 H GLU 125 2.100 -14.942 4.111 935 HA GLU 125 HA GLU 125 1.831 -17.615 3.050 936 HB2 GLU 125 HB2 GLU 125 -0.509 -16.528 2.992 937 HB3 GLU 125 HB3 GLU 125 0.156 -15.462 1.761 938 HG2 GLU 125 HG2 GLU 125 0.794 -17.523 0.469 939 HG3 GLU 125 HG3 GLU 125 -0.140 -18.453 1.638 940 H HIS 126 H HIS 126 2.281 -14.167 2.496 941 HA HIS 126 HA HIS 126 4.106 -14.506 0.314 942 HB2 HIS 126 HB2 HIS 126 2.743 -12.373 1.034 943 HB3 HIS 126 HB3 HIS 126 4.083 -12.107 2.142 944 HD1 HIS 126 HD1 HIS 126 3.022 -11.571 -1.305 945 HD2 HIS 126 HD2 HIS 126 6.637 -11.704 0.751 946 HE1 HIS 126 HE1 HIS 126 4.695 -10.449 -2.809 947 HE2 HIS 126 HE2 HIS 126 6.875 -10.534 -1.553 948 H HIS 127 H HIS 127 6.244 -14.906 0.442 949 HA HIS 127 HA HIS 127 7.166 -15.962 2.948 950 HB2 HIS 127 HB2 HIS 127 8.359 -15.908 0.185 951 HB3 HIS 127 HB3 HIS 127 9.253 -16.520 1.573 952 HD1 HIS 127 HD1 HIS 127 8.214 -18.647 2.772 953 HD2 HIS 127 HD2 HIS 127 6.537 -17.647 -0.894 954 HE1 HIS 127 HE1 HIS 127 6.882 -20.659 2.071 955 HE2 HIS 127 HE2 HIS 127 5.689 -19.928 -0.025 956 H HIS 128 H HIS 128 9.343 -15.581 3.749 957 HA HIS 128 HA HIS 128 9.581 -12.752 4.303 958 HB2 HIS 128 HB2 HIS 128 9.636 -14.711 5.996 959 HB3 HIS 128 HB3 HIS 128 11.294 -14.950 5.462 960 HD1 HIS 128 HD1 HIS 128 13.040 -13.513 6.526 961 HD2 HIS 128 HD2 HIS 128 9.184 -12.165 7.275 962 HE1 HIS 128 HE1 HIS 128 13.279 -11.704 8.249 963 HE2 HIS 128 HE2 HIS 128 10.917 -11.122 8.885 964 H HIS 129 H HIS 129 11.441 -11.526 4.042 965 HA HIS 129 HA HIS 129 12.974 -12.223 1.666 966 HB2 HIS 129 HB2 HIS 129 11.749 -10.009 2.099 967 HB3 HIS 129 HB3 HIS 129 13.014 -9.639 3.251 968 HD1 HIS 129 HD1 HIS 129 15.055 -8.539 2.365 969 HD2 HIS 129 HD2 HIS 129 12.654 -10.115 -0.635 970 HE1 HIS 129 HE1 HIS 129 16.052 -7.721 0.213 971 HE2 HIS 129 HE2 HIS 129 14.525 -8.600 -1.589 972 H HIS 130 H HIS 130 15.349 -11.445 1.730 973 HA HIS 130 HA HIS 130 16.854 -13.205 3.240 974 HB2 HIS 130 HB2 HIS 130 17.472 -12.124 1.076 975 HB3 HIS 130 HB3 HIS 130 17.785 -10.633 1.944 976 HD1 HIS 130 HD1 HIS 130 19.149 -14.141 1.553 977 HD2 HIS 130 HD2 HIS 130 20.304 -10.423 3.013 978 HE1 HIS 130 HE1 HIS 130 21.606 -14.338 2.034 979 HE2 HIS 130 HE2 HIS 130 22.317 -12.033 2.756 980 H HIS 131 H HIS 131 17.889 -13.185 5.131 981 HA HIS 131 HA HIS 131 17.618 -10.840 6.878 982 HB2 HIS 131 HB2 HIS 131 16.812 -13.083 7.663 983 HB3 HIS 131 HB3 HIS 131 18.462 -13.678 7.565 984 HD1 HIS 131 HD1 HIS 131 19.971 -13.248 9.542 985 HD2 HIS 131 HD2 HIS 131 16.377 -11.170 9.768 986 HE1 HIS 131 HE1 HIS 131 19.902 -12.271 11.857 987 HE2 HIS 131 HE2 HIS 131 17.791 -10.908 11.924 Start of MODEL 18 1 H1 MET 1 H1 MET 1 4.509 -7.975 16.735 2 H2 MET 1 H2 MET 1 3.440 -9.124 17.377 3 H3 MET 1 H3 MET 1 2.839 -7.824 16.471 4 HA MET 1 HA MET 1 2.837 -9.864 15.186 5 HB2 MET 1 HB2 MET 1 4.950 -7.937 14.196 6 HB3 MET 1 HB3 MET 1 4.016 -9.055 13.214 7 HG2 MET 1 HG2 MET 1 2.807 -7.216 12.803 8 HG3 MET 1 HG3 MET 1 2.015 -7.670 14.310 9 HE1 MET 1 HE1 MET 1 5.601 -6.060 13.710 10 HE2 MET 1 HE2 MET 1 5.205 -4.350 13.892 11 HE3 MET 1 HE3 MET 1 4.540 -5.271 12.543 12 H LYS 2 H LYS 2 4.093 -11.409 13.994 13 HA LYS 2 HA LYS 2 6.642 -12.145 15.264 14 HB2 LYS 2 HB2 LYS 2 6.276 -14.372 14.288 15 HB3 LYS 2 HB3 LYS 2 4.872 -13.899 15.237 16 HG2 LYS 2 HG2 LYS 2 3.799 -13.158 13.085 17 HG3 LYS 2 HG3 LYS 2 5.149 -13.910 12.242 18 HD2 LYS 2 HD2 LYS 2 4.559 -16.071 13.123 19 HD3 LYS 2 HD3 LYS 2 3.294 -15.355 14.128 20 HE2 LYS 2 HE2 LYS 2 2.145 -14.587 12.089 21 HE3 LYS 2 HE3 LYS 2 3.389 -15.369 11.114 22 HZ1 LYS 2 HZ1 LYS 2 1.489 -16.719 12.960 23 HZ2 LYS 2 HZ2 LYS 2 2.742 -17.493 12.119 24 HZ3 LYS 2 HZ3 LYS 2 1.469 -16.776 11.265 25 H ASP 3 H ASP 3 8.271 -13.073 13.571 26 HA ASP 3 HA ASP 3 8.427 -11.198 11.397 27 HB2 ASP 3 HB2 ASP 3 10.557 -12.332 10.812 28 HB3 ASP 3 HB3 ASP 3 10.500 -11.757 12.470 29 H GLY 4 H GLY 4 7.701 -11.405 9.452 30 HA2 GLY 4 HA2 GLY 4 7.667 -13.686 7.845 31 HA3 GLY 4 HA3 GLY 4 6.092 -13.564 8.620 32 H THR 5 H THR 5 5.149 -13.236 6.554 33 HA THR 5 HA THR 5 5.534 -10.512 5.511 34 HB THR 5 HB THR 5 4.697 -13.002 3.998 35 HG1 THR 5 HG1 THR 5 7.092 -11.687 4.386 36 HG21 THR 5 HG21 THR 5 3.502 -11.055 3.120 37 HG22 THR 5 HG22 THR 5 4.728 -11.609 1.976 38 HG23 THR 5 HG23 THR 5 5.025 -10.179 2.966 39 H TYR 6 H TYR 6 3.893 -9.214 5.690 40 HA TYR 6 HA TYR 6 1.238 -10.314 6.345 41 HB2 TYR 6 HB2 TYR 6 2.601 -7.787 7.280 42 HB3 TYR 6 HB3 TYR 6 0.903 -8.144 7.564 43 HD1 TYR 6 HD2 TYR 6 4.354 -9.170 8.393 44 HD2 TYR 6 HD1 TYR 6 0.220 -9.582 9.237 45 HE1 TYR 6 HE2 TYR 6 4.905 -10.335 10.491 46 HE2 TYR 6 HE1 TYR 6 0.748 -10.725 11.318 47 HH TYR 6 HH TYR 6 2.464 -11.922 12.364 48 H TYR 7 H TYR 7 0.010 -10.083 4.561 49 HA TYR 7 HA TYR 7 0.168 -7.451 3.304 50 HB2 TYR 7 HB2 TYR 7 0.650 -8.329 1.308 51 HB3 TYR 7 HB3 TYR 7 0.886 -9.869 2.109 52 HD1 TYR 7 HD2 TYR 7 -0.921 -11.553 2.082 53 HD2 TYR 7 HD1 TYR 7 -1.186 -7.931 -0.126 54 HE1 TYR 7 HE2 TYR 7 -2.735 -12.520 0.720 55 HE2 TYR 7 HE1 TYR 7 -2.994 -8.882 -1.493 56 HH TYR 7 HH TYR 7 -4.708 -11.565 -0.624 57 H ALA 8 H ALA 8 -1.709 -6.468 2.763 58 HA ALA 8 HA ALA 8 -4.207 -7.912 3.316 59 HB1 ALA 8 HB1 ALA 8 -3.818 -6.318 5.122 60 HB2 ALA 8 HB2 ALA 8 -5.188 -5.824 4.122 61 HB3 ALA 8 HB3 ALA 8 -3.628 -5.025 3.937 62 H GLU 9 H GLU 9 -5.828 -7.558 1.866 63 HA GLU 9 HA GLU 9 -5.129 -5.839 -0.406 64 HB2 GLU 9 HB2 GLU 9 -6.453 -7.271 -1.821 65 HB3 GLU 9 HB3 GLU 9 -5.273 -8.238 -0.966 66 HG2 GLU 9 HG2 GLU 9 -8.121 -8.030 -0.020 67 HG3 GLU 9 HG3 GLU 9 -7.635 -9.180 -1.260 68 H ALA 10 H ALA 10 -6.833 -4.624 -1.353 69 HA ALA 10 HA ALA 10 -8.632 -3.510 0.538 70 HB1 ALA 10 HB1 ALA 10 -8.546 -3.146 -2.455 71 HB2 ALA 10 HB2 ALA 10 -7.671 -2.183 -1.263 72 HB3 ALA 10 HB3 ALA 10 -9.433 -2.134 -1.313 73 H ASP 11 H ASP 11 -10.876 -3.557 0.583 74 HA ASP 11 HA ASP 11 -12.068 -6.095 0.117 75 HB2 ASP 11 HB2 ASP 11 -12.696 -4.648 2.005 76 HB3 ASP 11 HB3 ASP 11 -13.320 -3.446 0.885 77 H ASP 12 H ASP 12 -12.138 -3.027 -1.559 78 HA ASP 12 HA ASP 12 -13.514 -4.302 -3.805 79 HB2 ASP 12 HB2 ASP 12 -14.840 -2.327 -4.195 80 HB3 ASP 12 HB3 ASP 12 -15.083 -2.830 -2.527 81 H PHE 13 H PHE 13 -13.218 -2.848 -5.838 82 HA PHE 13 HA PHE 13 -10.360 -2.340 -6.076 83 HB2 PHE 13 HB2 PHE 13 -12.558 -2.398 -8.155 84 HB3 PHE 13 HB3 PHE 13 -10.869 -2.064 -8.519 85 HD1 PHE 13 HD1 PHE 13 -9.169 -3.839 -8.162 86 HD2 PHE 13 HD2 PHE 13 -13.342 -4.607 -7.879 87 HE1 PHE 13 HE1 PHE 13 -8.738 -6.245 -8.411 88 HE2 PHE 13 HE2 PHE 13 -12.919 -7.015 -8.131 89 HZ PHE 13 HZ PHE 13 -10.614 -7.840 -8.397 90 H ASP 14 H ASP 14 -9.463 -0.399 -6.799 91 HA ASP 14 HA ASP 14 -10.901 1.985 -6.031 92 HB2 ASP 14 HB2 ASP 14 -8.381 1.469 -5.703 93 HB3 ASP 14 HB3 ASP 14 -8.203 1.942 -7.387 94 H GLU 15 H GLU 15 -10.078 3.933 -7.857 95 HA GLU 15 HA GLU 15 -12.114 3.767 -9.817 96 HB2 GLU 15 HB2 GLU 15 -9.778 5.688 -9.634 97 HB3 GLU 15 HB3 GLU 15 -11.218 5.917 -10.612 98 HG2 GLU 15 HG2 GLU 15 -11.193 5.733 -7.608 99 HG3 GLU 15 HG3 GLU 15 -11.217 7.234 -8.530 100 H SER 16 H SER 16 -8.643 3.260 -9.930 101 HA SER 16 HA SER 16 -8.644 2.866 -12.794 102 HB2 SER 16 HB2 SER 16 -6.174 2.295 -12.252 103 HB3 SER 16 HB3 SER 16 -6.727 3.963 -12.106 104 HG SER 16 HG SER 16 -5.482 2.802 -10.273 105 H GLY 17 H GLY 17 -9.576 0.976 -10.287 106 HA2 GLY 17 HA2 GLY 17 -10.336 -1.204 -10.416 107 HA3 GLY 17 HA3 GLY 17 -9.516 -1.372 -11.961 108 H TRP 18 H TRP 18 -8.248 -0.472 -8.793 109 HA TRP 18 HA TRP 18 -6.673 -2.942 -8.799 110 HB2 TRP 18 HB2 TRP 18 -5.672 -0.176 -8.082 111 HB3 TRP 18 HB3 TRP 18 -4.776 -1.663 -7.807 112 HD1 TRP 18 HD1 TRP 18 -5.391 0.973 -10.340 113 HE1 TRP 18 HE1 TRP 18 -4.173 0.431 -12.528 114 HE3 TRP 18 HE3 TRP 18 -4.083 -3.878 -9.383 115 HZ2 TRP 18 HZ2 TRP 18 -2.844 -1.746 -13.713 116 HZ3 TRP 18 HZ3 TRP 18 -2.831 -5.113 -11.099 117 HH2 TRP 18 HH2 TRP 18 -2.225 -4.070 -13.219 118 H LYS 19 H LYS 19 -7.150 -4.113 -7.105 119 HA LYS 19 HA LYS 19 -8.057 -2.993 -4.607 120 HB2 LYS 19 HB2 LYS 19 -7.532 -5.685 -5.724 121 HB3 LYS 19 HB3 LYS 19 -7.376 -5.528 -3.985 122 HG2 LYS 19 HG2 LYS 19 -9.676 -4.675 -3.892 123 HG3 LYS 19 HG3 LYS 19 -9.809 -4.911 -5.639 124 HD2 LYS 19 HD2 LYS 19 -9.337 -7.303 -5.329 125 HD3 LYS 19 HD3 LYS 19 -9.269 -7.047 -3.582 126 HE2 LYS 19 HE2 LYS 19 -11.596 -6.186 -3.684 127 HE3 LYS 19 HE3 LYS 19 -11.638 -6.637 -5.389 128 HZ1 LYS 19 HZ1 LYS 19 -11.177 -8.932 -4.720 129 HZ2 LYS 19 HZ2 LYS 19 -12.627 -8.364 -4.061 130 HZ3 LYS 19 HZ3 LYS 19 -11.240 -8.475 -3.091 131 H ASP 20 H ASP 20 -6.567 -1.757 -3.636 132 HA ASP 20 HA ASP 20 -3.790 -2.029 -4.068 133 HB2 ASP 20 HB2 ASP 20 -5.191 -0.498 -1.868 134 HB3 ASP 20 HB3 ASP 20 -3.547 -0.234 -2.440 135 H THR 21 H THR 21 -2.311 -3.169 -3.055 136 HA THR 21 HA THR 21 -3.063 -4.397 -0.498 137 HB THR 21 HB THR 21 -1.783 -6.379 -1.001 138 HG1 THR 21 HG1 THR 21 -0.722 -4.815 -2.982 139 HG21 THR 21 HG21 THR 21 -2.986 -7.315 -2.930 140 HG22 THR 21 HG22 THR 21 -3.540 -5.695 -3.360 141 HG23 THR 21 HG23 THR 21 -4.056 -6.432 -1.842 142 H VAL 22 H VAL 22 -1.705 -4.147 1.127 143 HA VAL 22 HA VAL 22 0.915 -2.937 0.528 144 HB VAL 22 HB VAL 22 -0.811 -2.337 2.950 145 HG11 VAL 22 HG11 VAL 22 0.954 -0.765 3.596 146 HG12 VAL 22 HG12 VAL 22 1.932 -1.294 2.227 147 HG13 VAL 22 HG13 VAL 22 1.573 -2.417 3.539 148 HG21 VAL 22 HG21 VAL 22 0.110 -0.565 0.681 149 HG22 VAL 22 HG22 VAL 22 -0.838 -0.049 2.076 150 HG23 VAL 22 HG23 VAL 22 -1.529 -1.176 0.908 151 H THR 23 H THR 23 2.506 -4.137 0.966 152 HA THR 23 HA THR 23 2.130 -6.453 2.705 153 HB THR 23 HB THR 23 4.338 -5.976 0.698 154 HG1 THR 23 HG1 THR 23 1.979 -6.119 -0.055 155 HG21 THR 23 HG21 THR 23 4.740 -7.666 2.453 156 HG22 THR 23 HG22 THR 23 4.646 -8.372 0.837 157 HG23 THR 23 HG23 THR 23 3.275 -8.507 1.941 158 H ILE 24 H ILE 24 2.820 -6.150 4.676 159 HA ILE 24 HA ILE 24 5.124 -4.441 5.239 160 HB ILE 24 HB ILE 24 3.220 -5.765 7.186 161 HG12 ILE 24 HG12 ILE 24 2.075 -4.133 5.692 162 HG13 ILE 24 HG13 ILE 24 2.040 -3.674 7.393 163 HG21 ILE 24 HG21 ILE 24 4.123 -4.168 8.813 164 HG22 ILE 24 HG22 ILE 24 5.248 -3.572 7.591 165 HG23 ILE 24 HG23 ILE 24 5.370 -5.236 8.166 166 HD11 ILE 24 HD11 ILE 24 3.844 -2.065 6.975 167 HD12 ILE 24 HD12 ILE 24 2.429 -1.752 5.970 168 HD13 ILE 24 HD13 ILE 24 3.850 -2.531 5.273 169 H GLU 25 H GLU 25 6.988 -5.496 5.227 170 HA GLU 25 HA GLU 25 6.993 -8.332 5.898 171 HB2 GLU 25 HB2 GLU 25 7.999 -7.900 3.794 172 HB3 GLU 25 HB3 GLU 25 8.972 -6.594 4.446 173 HG2 GLU 25 HG2 GLU 25 10.390 -8.051 5.563 174 HG3 GLU 25 HG3 GLU 25 9.286 -9.416 5.390 175 H VAL 26 H VAL 26 7.512 -8.940 7.778 176 HA VAL 26 HA VAL 26 8.989 -7.138 9.563 177 HB VAL 26 HB VAL 26 6.997 -9.332 10.242 178 HG11 VAL 26 HG11 VAL 26 7.135 -8.550 12.548 179 HG12 VAL 26 HG12 VAL 26 8.394 -7.402 12.090 180 HG13 VAL 26 HG13 VAL 26 8.700 -9.136 11.981 181 HG21 VAL 26 HG21 VAL 26 5.563 -7.500 11.018 182 HG22 VAL 26 HG22 VAL 26 5.927 -7.358 9.297 183 HG23 VAL 26 HG23 VAL 26 6.761 -6.331 10.463 184 H LYS 27 H LYS 27 10.850 -7.772 10.377 185 HA LYS 27 HA LYS 27 11.552 -10.588 10.578 186 HB2 LYS 27 HB2 LYS 27 12.424 -9.842 8.370 187 HB3 LYS 27 HB3 LYS 27 13.301 -8.550 9.169 188 HG2 LYS 27 HG2 LYS 27 14.620 -10.239 10.382 189 HG3 LYS 27 HG3 LYS 27 13.773 -11.501 9.481 190 HD2 LYS 27 HD2 LYS 27 14.626 -10.643 7.395 191 HD3 LYS 27 HD3 LYS 27 15.387 -9.285 8.231 192 HE2 LYS 27 HE2 LYS 27 16.747 -10.918 9.509 193 HE3 LYS 27 HE3 LYS 27 16.058 -12.204 8.524 194 HZ1 LYS 27 HZ1 LYS 27 18.183 -11.582 7.660 195 HZ2 LYS 27 HZ2 LYS 27 17.734 -9.952 7.567 196 HZ3 LYS 27 HZ3 LYS 27 16.989 -11.095 6.558 197 H ASN 28 H ASN 28 12.719 -10.950 12.401 198 HA ASN 28 HA ASN 28 13.660 -10.653 14.434 199 HB2 ASN 28 HB2 ASN 28 14.563 -8.021 13.257 200 HB3 ASN 28 HB3 ASN 28 15.042 -8.588 14.848 201 HD21 ASN 28 HD21 ASN 28 16.608 -8.013 12.428 202 HD22 ASN 28 HD22 ASN 28 17.497 -9.457 12.089 203 H GLY 29 H GLY 29 10.911 -9.925 13.953 204 HA2 GLY 29 HA2 GLY 29 9.153 -9.267 15.281 205 HA3 GLY 29 HA3 GLY 29 10.317 -8.678 16.452 206 H LYS 30 H LYS 30 10.939 -7.262 13.451 207 HA LYS 30 HA LYS 30 9.147 -4.993 13.961 208 HB2 LYS 30 HB2 LYS 30 11.035 -3.417 13.774 209 HB3 LYS 30 HB3 LYS 30 11.206 -4.486 15.158 210 HG2 LYS 30 HG2 LYS 30 12.722 -5.904 13.761 211 HG3 LYS 30 HG3 LYS 30 12.669 -4.631 12.540 212 HD2 LYS 30 HD2 LYS 30 13.559 -3.038 14.146 213 HD3 LYS 30 HD3 LYS 30 13.584 -4.293 15.389 214 HE2 LYS 30 HE2 LYS 30 15.115 -5.604 13.928 215 HE3 LYS 30 HE3 LYS 30 15.182 -4.217 12.840 216 HZ1 LYS 30 HZ1 LYS 30 16.084 -2.887 14.639 217 HZ2 LYS 30 HZ2 LYS 30 17.054 -4.248 14.364 218 HZ3 LYS 30 HZ3 LYS 30 16.006 -4.212 15.692 219 H ILE 31 H ILE 31 9.270 -3.347 12.121 220 HA ILE 31 HA ILE 31 8.955 -4.776 9.644 221 HB ILE 31 HB ILE 31 8.807 -1.787 10.123 222 HG12 ILE 31 HG12 ILE 31 6.561 -3.818 10.021 223 HG13 ILE 31 HG13 ILE 31 7.187 -3.094 11.496 224 HG21 ILE 31 HG21 ILE 31 7.506 -1.730 8.041 225 HG22 ILE 31 HG22 ILE 31 7.779 -3.460 7.826 226 HG23 ILE 31 HG23 ILE 31 9.140 -2.339 7.773 227 HD11 ILE 31 HD11 ILE 31 6.439 -0.897 10.743 228 HD12 ILE 31 HD12 ILE 31 5.102 -2.047 10.791 229 HD13 ILE 31 HD13 ILE 31 5.835 -1.609 9.246 230 H VAL 32 H VAL 32 10.529 -5.179 8.225 231 HA VAL 32 HA VAL 32 12.918 -3.467 8.315 232 HB VAL 32 HB VAL 32 14.194 -5.319 7.326 233 HG11 VAL 32 HG11 VAL 32 14.253 -6.749 9.312 234 HG12 VAL 32 HG12 VAL 32 12.719 -6.061 9.848 235 HG13 VAL 32 HG13 VAL 32 14.153 -5.040 9.737 236 HG21 VAL 32 HG21 VAL 32 13.246 -7.590 7.246 237 HG22 VAL 32 HG22 VAL 32 12.433 -6.489 6.128 238 HG23 VAL 32 HG23 VAL 32 11.658 -6.927 7.650 239 H SER 33 H SER 33 10.253 -4.332 6.422 240 HA SER 33 HA SER 33 11.175 -2.810 4.169 241 HB2 SER 33 HB2 SER 33 12.173 -5.083 3.751 242 HB3 SER 33 HB3 SER 33 10.542 -5.749 3.749 243 HG SER 33 HG SER 33 10.216 -4.979 1.803 244 H VAL 34 H VAL 34 9.490 -2.383 2.697 245 HA VAL 34 HA VAL 34 6.873 -3.493 3.217 246 HB VAL 34 HB VAL 34 6.852 -1.493 4.622 247 HG11 VAL 34 HG11 VAL 34 6.976 0.744 3.669 248 HG12 VAL 34 HG12 VAL 34 7.414 0.038 2.111 249 HG13 VAL 34 HG13 VAL 34 8.492 -0.144 3.496 250 HG21 VAL 34 HG21 VAL 34 5.132 -1.199 2.165 251 HG22 VAL 34 HG22 VAL 34 4.869 -0.369 3.698 252 HG23 VAL 34 HG23 VAL 34 4.751 -2.127 3.617 253 H ASP 35 H ASP 35 5.763 -3.788 1.448 254 HA ASP 35 HA ASP 35 6.947 -2.918 -1.087 255 HB2 ASP 35 HB2 ASP 35 6.116 -5.708 -0.278 256 HB3 ASP 35 HB3 ASP 35 6.355 -5.241 -1.962 257 H TRP 36 H TRP 36 5.540 -2.623 -2.802 258 HA TRP 36 HA TRP 36 2.720 -2.486 -2.003 259 HB2 TRP 36 HB2 TRP 36 2.890 -0.520 -3.886 260 HB3 TRP 36 HB3 TRP 36 2.964 -0.259 -2.151 261 HD1 TRP 36 HD1 TRP 36 5.190 0.657 -1.153 262 HE1 TRP 36 HE1 TRP 36 7.405 1.466 -2.168 263 HE3 TRP 36 HE3 TRP 36 4.556 -0.999 -5.951 264 HZ2 TRP 36 HZ2 TRP 36 8.717 1.413 -4.651 265 HZ3 TRP 36 HZ3 TRP 36 6.345 -0.578 -7.579 266 HH2 TRP 36 HH2 TRP 36 8.380 0.603 -6.942 267 H ASN 37 H ASN 37 1.187 -3.032 -3.375 268 HA ASN 37 HA ASN 37 1.666 -3.873 -6.092 269 HB2 ASN 37 HB2 ASN 37 2.551 -5.771 -4.688 270 HB3 ASN 37 HB3 ASN 37 0.969 -5.926 -3.950 271 HD21 ASN 37 HD21 ASN 37 0.511 -7.946 -4.602 272 HD22 ASN 37 HD22 ASN 37 0.316 -8.419 -6.252 273 H ALA 38 H ALA 38 -0.538 -4.847 -6.914 274 HA ALA 38 HA ALA 38 -2.875 -4.405 -5.303 275 HB1 ALA 38 HB1 ALA 38 -3.935 -2.799 -6.878 276 HB2 ALA 38 HB2 ALA 38 -2.381 -2.628 -7.703 277 HB3 ALA 38 HB3 ALA 38 -2.552 -2.116 -6.021 278 H ILE 39 H ILE 39 -4.805 -5.292 -6.358 279 HA ILE 39 HA ILE 39 -4.071 -7.251 -8.435 280 HB ILE 39 HB ILE 39 -6.653 -7.343 -6.869 281 HG12 ILE 39 HG12 ILE 39 -4.082 -8.709 -6.027 282 HG13 ILE 39 HG13 ILE 39 -4.658 -7.214 -5.301 283 HG21 ILE 39 HG21 ILE 39 -6.478 -8.787 -8.822 284 HG22 ILE 39 HG22 ILE 39 -6.455 -9.764 -7.352 285 HG23 ILE 39 HG23 ILE 39 -4.953 -9.448 -8.226 286 HD11 ILE 39 HD11 ILE 39 -6.099 -9.856 -5.273 287 HD12 ILE 39 HD12 ILE 39 -6.672 -8.358 -4.539 288 HD13 ILE 39 HD13 ILE 39 -5.211 -9.137 -3.930 289 H ASN 40 H ASN 40 -5.206 -7.359 -10.392 290 HA ASN 40 HA ASN 40 -6.453 -4.838 -11.129 291 HB2 ASN 40 HB2 ASN 40 -4.620 -6.126 -12.429 292 HB3 ASN 40 HB3 ASN 40 -5.945 -7.125 -13.009 293 HD21 ASN 40 HD21 ASN 40 -6.290 -3.679 -12.380 294 HD22 ASN 40 HD22 ASN 40 -6.436 -3.216 -14.039 295 H LYS 41 H LYS 41 -8.482 -4.526 -11.871 296 HA LYS 41 HA LYS 41 -10.524 -6.370 -11.083 297 HB2 LYS 41 HB2 LYS 41 -10.754 -3.911 -10.893 298 HB3 LYS 41 HB3 LYS 41 -10.758 -3.788 -12.648 299 HG2 LYS 41 HG2 LYS 41 -12.807 -5.180 -12.693 300 HG3 LYS 41 HG3 LYS 41 -12.811 -5.164 -10.931 301 HD2 LYS 41 HD2 LYS 41 -13.163 -2.823 -10.871 302 HD3 LYS 41 HD3 LYS 41 -12.869 -2.668 -12.605 303 HE2 LYS 41 HE2 LYS 41 -15.245 -2.552 -12.164 304 HE3 LYS 41 HE3 LYS 41 -14.870 -4.030 -13.044 305 HZ1 LYS 41 HZ1 LYS 41 -15.300 -3.854 -10.114 306 HZ2 LYS 41 HZ2 LYS 41 -15.021 -5.274 -10.997 307 HZ3 LYS 41 HZ3 LYS 41 -16.447 -4.394 -11.235 308 H ASP 42 H ASP 42 -8.898 -5.674 -14.044 309 HA ASP 42 HA ASP 42 -10.650 -6.677 -15.973 310 HB2 ASP 42 HB2 ASP 42 -8.699 -5.467 -16.622 311 HB3 ASP 42 HB3 ASP 42 -7.640 -6.585 -15.780 312 H GLY 43 H GLY 43 -8.462 -8.365 -13.784 313 HA2 GLY 43 HA2 GLY 43 -9.105 -10.524 -12.957 314 HA3 GLY 43 HA3 GLY 43 -9.793 -10.877 -14.535 315 H GLY 44 H GLY 44 -6.917 -9.308 -15.015 316 HA2 GLY 44 HA2 GLY 44 -5.561 -11.723 -15.787 317 HA3 GLY 44 HA3 GLY 44 -4.959 -10.082 -15.959 318 H ASP 45 H ASP 45 -3.413 -9.418 -14.624 319 HA ASP 45 HA ASP 45 -2.692 -11.227 -12.415 320 HB2 ASP 45 HB2 ASP 45 -0.924 -9.652 -14.292 321 HB3 ASP 45 HB3 ASP 45 -0.327 -10.440 -12.836 322 H ASP 46 H ASP 46 -0.694 -9.757 -11.288 323 HA ASP 46 HA ASP 46 -2.187 -7.681 -9.878 324 HB2 ASP 46 HB2 ASP 46 0.482 -8.988 -9.310 325 HB3 ASP 46 HB3 ASP 46 -0.262 -7.772 -8.283 326 H LYS 47 H LYS 47 -0.597 -5.834 -9.090 327 HA LYS 47 HA LYS 47 0.338 -4.259 -11.213 328 HB2 LYS 47 HB2 LYS 47 0.773 -4.247 -8.251 329 HB3 LYS 47 HB3 LYS 47 1.774 -3.209 -9.255 330 HG2 LYS 47 HG2 LYS 47 -1.234 -3.173 -9.199 331 HG3 LYS 47 HG3 LYS 47 -0.193 -2.061 -8.310 332 HD2 LYS 47 HD2 LYS 47 -0.304 -2.377 -11.312 333 HD3 LYS 47 HD3 LYS 47 -1.010 -1.054 -10.382 334 HE2 LYS 47 HE2 LYS 47 1.131 -0.292 -9.696 335 HE3 LYS 47 HE3 LYS 47 1.917 -1.733 -10.334 336 HZ1 LYS 47 HZ1 LYS 47 1.047 -0.983 -12.559 337 HZ2 LYS 47 HZ2 LYS 47 2.304 -0.075 -11.898 338 HZ3 LYS 47 HZ3 LYS 47 0.714 0.511 -11.828 339 H ASP 48 H ASP 48 2.113 -6.351 -8.984 340 HA ASP 48 HA ASP 48 4.698 -5.916 -10.019 341 HB2 ASP 48 HB2 ASP 48 4.307 -6.854 -7.800 342 HB3 ASP 48 HB3 ASP 48 3.537 -8.270 -8.507 343 H THR 49 H THR 49 2.343 -8.514 -10.636 344 HA THR 49 HA THR 49 4.064 -10.002 -12.318 345 HB THR 49 HB THR 49 1.078 -10.274 -12.435 346 HG1 THR 49 HG1 THR 49 1.165 -11.423 -10.463 347 HG21 THR 49 HG21 THR 49 1.628 -12.658 -12.557 348 HG22 THR 49 HG22 THR 49 3.339 -12.285 -12.349 349 HG23 THR 49 HG23 THR 49 2.494 -11.759 -13.805 350 H LEU 50 H LEU 50 1.416 -7.706 -13.047 351 HA LEU 50 HA LEU 50 1.514 -8.047 -15.871 352 HB2 LEU 50 HB2 LEU 50 0.384 -5.896 -14.121 353 HB3 LEU 50 HB3 LEU 50 0.407 -5.707 -15.860 354 HG LEU 50 HG LEU 50 -0.989 -7.914 -14.340 355 HD11 LEU 50 HD11 LEU 50 -2.114 -5.570 -15.861 356 HD12 LEU 50 HD12 LEU 50 -2.067 -5.729 -14.105 357 HD13 LEU 50 HD13 LEU 50 -3.041 -6.842 -15.066 358 HD21 LEU 50 HD21 LEU 50 -0.957 -7.312 -17.301 359 HD22 LEU 50 HD22 LEU 50 -1.949 -8.536 -16.504 360 HD23 LEU 50 HD23 LEU 50 -0.192 -8.696 -16.513 361 H SER 51 H SER 51 3.273 -5.944 -13.670 362 HA SER 51 HA SER 51 4.464 -4.288 -15.641 363 HB2 SER 51 HB2 SER 51 4.300 -3.808 -13.166 364 HB3 SER 51 HB3 SER 51 5.596 -4.978 -12.923 365 HG SER 51 HG SER 51 5.766 -2.683 -14.582 366 H ARG 52 H ARG 52 5.392 -7.369 -14.176 367 HA ARG 52 HA ARG 52 7.993 -7.481 -15.379 368 HB2 ARG 52 HB2 ARG 52 6.297 -9.572 -14.018 369 HB3 ARG 52 HB3 ARG 52 7.917 -9.883 -14.618 370 HG2 ARG 52 HG2 ARG 52 8.833 -8.249 -13.082 371 HG3 ARG 52 HG3 ARG 52 7.211 -7.841 -12.518 372 HD2 ARG 52 HD2 ARG 52 8.230 -9.341 -10.935 373 HD3 ARG 52 HD3 ARG 52 6.929 -10.185 -11.771 374 HE ARG 52 HE ARG 52 9.696 -10.523 -12.699 375 HH11 ARG 52 HH11 ARG 52 6.797 -11.920 -11.280 376 HH12 ARG 52 HH12 ARG 52 7.362 -13.552 -11.437 377 HH21 ARG 52 HH21 ARG 52 10.439 -12.676 -12.871 378 HH22 ARG 52 HH22 ARG 52 9.433 -13.977 -12.312 379 H ASN 53 H ASN 53 4.798 -8.642 -16.246 380 HA ASN 53 HA ASN 53 5.738 -10.295 -18.416 381 HB2 ASN 53 HB2 ASN 53 2.974 -9.468 -17.535 382 HB3 ASN 53 HB3 ASN 53 3.263 -10.461 -18.957 383 HD21 ASN 53 HD21 ASN 53 1.798 -11.103 -16.534 384 HD22 ASN 53 HD22 ASN 53 2.566 -12.496 -15.861 385 H GLY 54 H GLY 54 4.996 -7.000 -18.056 386 HA2 GLY 54 HA2 GLY 54 5.160 -5.268 -19.594 387 HA3 GLY 54 HA3 GLY 54 5.463 -6.461 -20.849 388 H GLY 55 H GLY 55 2.720 -5.997 -18.644 389 HA2 GLY 55 HA2 GLY 55 1.003 -5.249 -20.878 390 HA3 GLY 55 HA3 GLY 55 0.621 -6.756 -20.064 391 H TYR 56 H TYR 56 1.800 -3.716 -18.694 392 HA TYR 56 HA TYR 56 -0.234 -3.708 -16.693 393 HB2 TYR 56 HB2 TYR 56 1.788 -2.778 -15.976 394 HB3 TYR 56 HB3 TYR 56 2.002 -1.842 -17.447 395 HD1 TYR 56 HD2 TYR 56 -0.442 -2.037 -14.580 396 HD2 TYR 56 HD1 TYR 56 1.758 0.417 -17.272 397 HE1 TYR 56 HE2 TYR 56 -1.351 -0.028 -13.496 398 HE2 TYR 56 HE1 TYR 56 0.845 2.425 -16.200 399 HH TYR 56 HH TYR 56 -0.924 2.285 -13.242 400 H LYS 57 H LYS 57 -2.251 -3.491 -17.384 401 HA LYS 57 HA LYS 57 -2.930 -0.877 -18.539 402 HB2 LYS 57 HB2 LYS 57 -4.191 -3.565 -19.059 403 HB3 LYS 57 HB3 LYS 57 -5.080 -2.073 -19.321 404 HG2 LYS 57 HG2 LYS 57 -3.404 -1.366 -20.957 405 HG3 LYS 57 HG3 LYS 57 -2.512 -2.866 -20.684 406 HD2 LYS 57 HD2 LYS 57 -4.250 -4.179 -21.596 407 HD3 LYS 57 HD3 LYS 57 -5.391 -2.834 -21.556 408 HE2 LYS 57 HE2 LYS 57 -4.587 -3.306 -23.831 409 HE3 LYS 57 HE3 LYS 57 -4.149 -1.687 -23.291 410 HZ1 LYS 57 HZ1 LYS 57 -2.317 -4.022 -23.203 411 HZ2 LYS 57 HZ2 LYS 57 -1.923 -2.403 -22.886 412 HZ3 LYS 57 HZ3 LYS 57 -2.343 -2.881 -24.456 413 H MET 58 H MET 58 -4.284 0.330 -17.380 414 HA MET 58 HA MET 58 -5.542 -0.764 -14.981 415 HB2 MET 58 HB2 MET 58 -5.558 2.060 -16.103 416 HB3 MET 58 HB3 MET 58 -6.252 1.578 -14.561 417 HG2 MET 58 HG2 MET 58 -3.984 0.900 -13.820 418 HG3 MET 58 HG3 MET 58 -3.343 1.548 -15.327 419 HE1 MET 58 HE1 MET 58 -3.194 4.135 -15.893 420 HE2 MET 58 HE2 MET 58 -4.022 5.379 -14.955 421 HE3 MET 58 HE3 MET 58 -4.955 4.165 -15.832 422 H VAL 59 H VAL 59 -7.955 -0.174 -14.657 423 HA VAL 59 HA VAL 59 -9.332 -0.512 -17.198 424 HB VAL 59 HB VAL 59 -11.385 -0.921 -16.048 425 HG11 VAL 59 HG11 VAL 59 -10.842 -2.867 -14.679 426 HG12 VAL 59 HG12 VAL 59 -9.158 -2.345 -14.604 427 HG13 VAL 59 HG13 VAL 59 -9.871 -2.810 -16.150 428 HG21 VAL 59 HG21 VAL 59 -11.624 -0.830 -13.612 429 HG22 VAL 59 HG22 VAL 59 -11.276 0.754 -14.306 430 HG23 VAL 59 HG23 VAL 59 -10.002 -0.149 -13.485 431 H GLU 60 H GLU 60 -8.298 1.969 -15.226 432 HA GLU 60 HA GLU 60 -10.274 3.870 -16.183 433 HB2 GLU 60 HB2 GLU 60 -9.373 3.972 -13.821 434 HB3 GLU 60 HB3 GLU 60 -7.811 4.388 -14.506 435 HG2 GLU 60 HG2 GLU 60 -8.820 6.399 -13.804 436 HG3 GLU 60 HG3 GLU 60 -8.903 6.372 -15.565 437 H TYR 61 H TYR 61 -9.924 4.101 -18.320 438 HA TYR 61 HA TYR 61 -7.206 4.761 -19.160 439 HB2 TYR 61 HB2 TYR 61 -9.372 3.306 -20.446 440 HB3 TYR 61 HB3 TYR 61 -8.695 4.561 -21.484 441 HD1 TYR 61 HD2 TYR 61 -7.233 2.145 -19.006 442 HD2 TYR 61 HD1 TYR 61 -7.165 3.714 -22.959 443 HE1 TYR 61 HE2 TYR 61 -5.300 0.715 -19.533 444 HE2 TYR 61 HE1 TYR 61 -5.235 2.296 -23.497 445 HH TYR 61 HH TYR 61 -3.442 1.134 -22.397 446 H GLY 62 H GLY 62 -7.122 6.740 -18.420 447 HA2 GLY 62 HA2 GLY 62 -7.323 8.971 -19.722 448 HA3 GLY 62 HA3 GLY 62 -9.040 8.743 -19.407 449 H GLY 63 H GLY 63 -6.658 7.685 -17.107 450 HA2 GLY 63 HA2 GLY 63 -7.267 9.993 -15.393 451 HA3 GLY 63 HA3 GLY 63 -7.511 8.359 -14.789 452 H ALA 64 H ALA 64 -5.915 9.847 -13.338 453 HA ALA 64 HA ALA 64 -3.149 9.561 -14.126 454 HB1 ALA 64 HB1 ALA 64 -3.889 11.563 -12.926 455 HB2 ALA 64 HB2 ALA 64 -2.675 10.680 -12.000 456 HB3 ALA 64 HB3 ALA 64 -4.378 10.566 -11.557 457 H GLN 65 H GLN 65 -1.702 8.753 -12.161 458 HA GLN 65 HA GLN 65 -2.399 6.018 -11.713 459 HB2 GLN 65 HB2 GLN 65 -0.107 6.257 -10.307 460 HB3 GLN 65 HB3 GLN 65 -0.183 5.922 -12.022 461 HG2 GLN 65 HG2 GLN 65 1.453 7.561 -11.813 462 HG3 GLN 65 HG3 GLN 65 0.023 8.447 -12.352 463 HE21 GLN 65 HE21 GLN 65 -0.853 9.988 -11.039 464 HE22 GLN 65 HE22 GLN 65 -0.138 10.495 -9.553 465 H ALA 66 H ALA 66 -4.142 6.055 -10.466 466 HA ALA 66 HA ALA 66 -3.971 6.961 -7.700 467 HB1 ALA 66 HB1 ALA 66 -6.058 7.305 -8.950 468 HB2 ALA 66 HB2 ALA 66 -6.308 6.265 -7.549 469 HB3 ALA 66 HB3 ALA 66 -6.217 5.561 -9.162 470 H GLU 67 H GLU 67 -2.041 5.317 -7.945 471 HA GLU 67 HA GLU 67 -2.735 2.806 -6.690 472 HB2 GLU 67 HB2 GLU 67 -1.348 1.554 -8.423 473 HB3 GLU 67 HB3 GLU 67 -2.938 2.086 -8.950 474 HG2 GLU 67 HG2 GLU 67 -2.057 3.809 -10.259 475 HG3 GLU 67 HG3 GLU 67 -0.486 3.723 -9.464 476 H TRP 68 H TRP 68 -0.638 1.544 -6.315 477 HA TRP 68 HA TRP 68 1.386 3.419 -5.391 478 HB2 TRP 68 HB2 TRP 68 0.998 0.518 -4.601 479 HB3 TRP 68 HB3 TRP 68 2.071 1.687 -3.832 480 HD1 TRP 68 HD1 TRP 68 -1.140 0.167 -3.247 481 HE1 TRP 68 HE1 TRP 68 -2.674 1.640 -1.806 482 HE3 TRP 68 HE3 TRP 68 1.455 4.553 -3.554 483 HZ2 TRP 68 HZ2 TRP 68 -2.757 4.338 -0.917 484 HZ3 TRP 68 HZ3 TRP 68 0.586 6.521 -2.396 485 HH2 TRP 68 HH2 TRP 68 -1.474 6.424 -1.097 486 H HIS 69 H HIS 69 2.706 3.779 -7.071 487 HA HIS 69 HA HIS 69 4.362 1.511 -7.864 488 HB2 HIS 69 HB2 HIS 69 2.715 1.877 -9.687 489 HB3 HIS 69 HB3 HIS 69 3.258 3.541 -9.832 490 HD1 HIS 69 HD1 HIS 69 4.704 3.830 -11.828 491 HD2 HIS 69 HD2 HIS 69 5.169 0.061 -10.113 492 HE1 HIS 69 HE1 HIS 69 6.449 2.661 -13.217 493 HE2 HIS 69 HE2 HIS 69 6.631 0.348 -12.237 494 H GLU 70 H GLU 70 4.444 4.849 -9.101 495 HA GLU 70 HA GLU 70 7.266 4.859 -8.354 496 HB2 GLU 70 HB2 GLU 70 7.589 6.591 -10.032 497 HB3 GLU 70 HB3 GLU 70 6.771 5.204 -10.720 498 HG2 GLU 70 HG2 GLU 70 5.284 7.671 -9.844 499 HG3 GLU 70 HG3 GLU 70 5.978 7.500 -11.461 500 H GLN 71 H GLN 71 4.321 6.588 -7.694 501 HA GLN 71 HA GLN 71 5.732 8.651 -6.208 502 HB2 GLN 71 HB2 GLN 71 3.597 9.006 -7.568 503 HB3 GLN 71 HB3 GLN 71 2.762 8.169 -6.268 504 HG2 GLN 71 HG2 GLN 71 3.214 9.866 -4.725 505 HG3 GLN 71 HG3 GLN 71 4.463 10.577 -5.741 506 HE21 GLN 71 HE21 GLN 71 1.388 9.545 -7.039 507 HE22 GLN 71 HE22 GLN 71 0.771 11.134 -7.340 508 H ALA 72 H ALA 72 4.830 5.514 -5.703 509 HA ALA 72 HA ALA 72 3.983 5.586 -2.984 510 HB1 ALA 72 HB1 ALA 72 3.379 3.749 -4.472 511 HB2 ALA 72 HB2 ALA 72 4.244 3.165 -3.048 512 HB3 ALA 72 HB3 ALA 72 5.078 3.294 -4.598 513 H GLU 73 H GLU 73 7.115 5.627 -4.522 514 HA GLU 73 HA GLU 73 8.697 4.327 -2.614 515 HB2 GLU 73 HB2 GLU 73 10.612 5.517 -3.581 516 HB3 GLU 73 HB3 GLU 73 9.562 4.842 -4.817 517 HG2 GLU 73 HG2 GLU 73 8.673 6.989 -5.336 518 HG3 GLU 73 HG3 GLU 73 9.469 7.722 -3.945 519 H LYS 74 H LYS 74 7.526 7.640 -2.609 520 HA LYS 74 HA LYS 74 9.295 8.567 -0.557 521 HB2 LYS 74 HB2 LYS 74 6.637 9.768 -1.356 522 HB3 LYS 74 HB3 LYS 74 7.973 10.587 -0.568 523 HG2 LYS 74 HG2 LYS 74 7.921 9.564 -3.405 524 HG3 LYS 74 HG3 LYS 74 7.816 11.246 -2.893 525 HD2 LYS 74 HD2 LYS 74 10.188 9.442 -2.403 526 HD3 LYS 74 HD3 LYS 74 10.058 10.596 -3.731 527 HE2 LYS 74 HE2 LYS 74 9.976 12.439 -2.198 528 HE3 LYS 74 HE3 LYS 74 9.882 11.345 -0.818 529 HZ1 LYS 74 HZ1 LYS 74 12.108 12.229 -1.114 530 HZ2 LYS 74 HZ2 LYS 74 12.187 11.579 -2.674 531 HZ3 LYS 74 HZ3 LYS 74 12.094 10.549 -1.332 532 H VAL 75 H VAL 75 6.119 7.230 -0.755 533 HA VAL 75 HA VAL 75 5.245 7.840 1.889 534 HB VAL 75 HB VAL 75 4.064 5.829 -0.038 535 HG11 VAL 75 HG11 VAL 75 1.957 6.421 1.029 536 HG12 VAL 75 HG12 VAL 75 2.817 7.512 2.117 537 HG13 VAL 75 HG13 VAL 75 3.118 5.774 2.188 538 HG21 VAL 75 HG21 VAL 75 4.400 7.948 -1.218 539 HG22 VAL 75 HG22 VAL 75 3.537 8.801 0.063 540 HG23 VAL 75 HG23 VAL 75 2.687 7.628 -0.944 541 H GLU 76 H GLU 76 6.500 4.945 0.267 542 HA GLU 76 HA GLU 76 6.146 3.187 2.468 543 HB2 GLU 76 HB2 GLU 76 7.547 1.597 1.195 544 HB3 GLU 76 HB3 GLU 76 6.216 2.256 0.266 545 HG2 GLU 76 HG2 GLU 76 7.748 2.492 -1.323 546 HG3 GLU 76 HG3 GLU 76 8.194 3.946 -0.440 547 H ALA 77 H ALA 77 8.902 5.138 1.426 548 HA ALA 77 HA ALA 77 10.808 4.157 3.237 549 HB1 ALA 77 HB1 ALA 77 11.343 5.619 1.338 550 HB2 ALA 77 HB2 ALA 77 12.006 6.229 2.855 551 HB3 ALA 77 HB3 ALA 77 10.556 6.960 2.171 552 H TYR 78 H TYR 78 8.283 6.540 3.597 553 HA TYR 78 HA TYR 78 9.011 7.497 6.160 554 HB2 TYR 78 HB2 TYR 78 7.468 8.554 4.398 555 HB3 TYR 78 HB3 TYR 78 6.217 7.503 5.052 556 HD1 TYR 78 HD2 TYR 78 8.791 9.916 6.260 557 HD2 TYR 78 HD1 TYR 78 4.847 8.391 6.688 558 HE1 TYR 78 HE2 TYR 78 8.334 11.605 7.975 559 HE2 TYR 78 HE1 TYR 78 4.380 10.082 8.409 560 HH TYR 78 HH TYR 78 6.461 12.739 8.981 561 H LEU 79 H LEU 79 7.026 4.806 5.065 562 HA LEU 79 HA LEU 79 5.802 4.125 7.515 563 HB2 LEU 79 HB2 LEU 79 5.165 3.316 5.224 564 HB3 LEU 79 HB3 LEU 79 6.571 2.282 5.242 565 HG LEU 79 HG LEU 79 4.244 1.270 5.720 566 HD11 LEU 79 HD11 LEU 79 6.258 -0.025 5.958 567 HD12 LEU 79 HD12 LEU 79 5.142 -0.384 7.277 568 HD13 LEU 79 HD13 LEU 79 6.542 0.654 7.561 569 HD21 LEU 79 HD21 LEU 79 4.827 2.444 8.433 570 HD22 LEU 79 HD22 LEU 79 3.576 1.245 8.076 571 HD23 LEU 79 HD23 LEU 79 3.482 2.859 7.367 572 H VAL 80 H VAL 80 8.874 3.107 6.052 573 HA VAL 80 HA VAL 80 9.470 1.167 8.053 574 HB VAL 80 HB VAL 80 11.423 2.480 6.144 575 HG11 VAL 80 HG11 VAL 80 12.707 0.397 6.386 576 HG12 VAL 80 HG12 VAL 80 11.546 -0.171 7.586 577 HG13 VAL 80 HG13 VAL 80 12.540 1.245 7.924 578 HG21 VAL 80 HG21 VAL 80 9.751 -0.002 5.781 579 HG22 VAL 80 HG22 VAL 80 11.002 0.567 4.676 580 HG23 VAL 80 HG23 VAL 80 9.544 1.529 4.928 581 H GLU 81 H GLU 81 10.299 4.623 7.716 582 HA GLU 81 HA GLU 81 12.059 4.527 9.986 583 HB2 GLU 81 HB2 GLU 81 12.129 6.979 9.840 584 HB3 GLU 81 HB3 GLU 81 12.505 6.190 8.318 585 HG2 GLU 81 HG2 GLU 81 10.231 6.685 7.530 586 HG3 GLU 81 HG3 GLU 81 9.910 7.519 9.050 587 H LYS 82 H LYS 82 8.625 4.959 9.584 588 HA LYS 82 HA LYS 82 8.185 5.985 12.237 589 HB2 LYS 82 HB2 LYS 82 6.384 4.850 10.112 590 HB3 LYS 82 HB3 LYS 82 5.777 5.187 11.725 591 HG2 LYS 82 HG2 LYS 82 7.049 7.204 9.890 592 HG3 LYS 82 HG3 LYS 82 5.315 6.987 10.126 593 HD2 LYS 82 HD2 LYS 82 5.624 7.495 12.524 594 HD3 LYS 82 HD3 LYS 82 7.330 7.822 12.202 595 HE2 LYS 82 HE2 LYS 82 6.701 9.592 10.653 596 HE3 LYS 82 HE3 LYS 82 4.998 9.249 10.947 597 HZ1 LYS 82 HZ1 LYS 82 6.937 10.203 12.977 598 HZ2 LYS 82 HZ2 LYS 82 5.292 9.883 13.244 599 HZ3 LYS 82 HZ3 LYS 82 5.754 11.143 12.213 600 H GLN 83 H GLN 83 8.364 2.842 10.745 601 HA GLN 83 HA GLN 83 8.202 0.697 11.433 602 HB2 GLN 83 HB2 GLN 83 8.784 1.955 14.113 603 HB3 GLN 83 HB3 GLN 83 8.539 0.224 13.932 604 HG2 GLN 83 HG2 GLN 83 10.640 1.805 12.472 605 HG3 GLN 83 HG3 GLN 83 10.911 0.915 13.971 606 HE21 GLN 83 HE21 GLN 83 10.399 0.694 10.564 607 HE22 GLN 83 HE22 GLN 83 10.759 -0.997 10.419 608 H ASP 84 H ASP 84 5.796 2.549 11.437 609 HA ASP 84 HA ASP 84 3.940 0.860 12.887 610 HB2 ASP 84 HB2 ASP 84 4.773 2.556 14.534 611 HB3 ASP 84 HB3 ASP 84 4.139 3.824 13.489 612 HA PRO 85 HA PRO 85 1.807 1.951 9.112 613 HB2 PRO 85 HB2 PRO 85 -0.287 0.326 9.413 614 HB3 PRO 85 HB3 PRO 85 1.342 -0.305 9.137 615 HG2 PRO 85 HG2 PRO 85 -0.151 -0.014 11.725 616 HG3 PRO 85 HG3 PRO 85 0.711 -1.432 11.092 617 HD2 PRO 85 HD2 PRO 85 1.835 0.259 12.872 618 HD3 PRO 85 HD3 PRO 85 2.780 -0.569 11.616 619 H THR 86 H THR 86 0.810 3.026 12.165 620 HA THR 86 HA THR 86 -1.533 4.312 10.948 621 HB THR 86 HB THR 86 -2.263 2.514 12.500 622 HG1 THR 86 HG1 THR 86 -2.929 5.059 13.577 623 HG21 THR 86 HG21 THR 86 -1.022 4.204 14.664 624 HG22 THR 86 HG22 THR 86 -0.466 2.611 14.147 625 HG23 THR 86 HG23 THR 86 -2.046 2.788 14.912 626 H ASP 87 H ASP 87 1.464 4.966 11.892 627 HA ASP 87 HA ASP 87 0.832 7.375 13.413 628 HB2 ASP 87 HB2 ASP 87 2.820 5.772 13.913 629 HB3 ASP 87 HB3 ASP 87 3.619 6.622 12.590 630 H ILE 88 H ILE 88 -0.184 8.606 11.936 631 HA ILE 88 HA ILE 88 1.381 10.229 10.216 632 HB ILE 88 HB ILE 88 1.132 8.191 8.771 633 HG12 ILE 88 HG12 ILE 88 0.207 9.356 6.746 634 HG13 ILE 88 HG13 ILE 88 -0.278 10.680 7.797 635 HG21 ILE 88 HG21 ILE 88 -1.061 7.656 7.780 636 HG22 ILE 88 HG22 ILE 88 -1.816 8.790 8.901 637 HG23 ILE 88 HG23 ILE 88 -0.996 7.355 9.518 638 HD11 ILE 88 HD11 ILE 88 2.050 11.073 8.387 639 HD12 ILE 88 HD12 ILE 88 1.801 11.167 6.643 640 HD13 ILE 88 HD13 ILE 88 2.541 9.732 7.351 641 H LYS 89 H LYS 89 0.211 12.137 9.695 642 HA LYS 89 HA LYS 89 -2.626 12.170 10.465 643 HB2 LYS 89 HB2 LYS 89 -1.276 13.337 12.172 644 HB3 LYS 89 HB3 LYS 89 -0.628 14.399 10.935 645 HG2 LYS 89 HG2 LYS 89 -2.381 15.485 12.250 646 HG3 LYS 89 HG3 LYS 89 -2.834 15.343 10.552 647 HD2 LYS 89 HD2 LYS 89 -4.171 13.340 11.112 648 HD3 LYS 89 HD3 LYS 89 -3.758 13.568 12.811 649 HE2 LYS 89 HE2 LYS 89 -5.142 15.674 11.166 650 HE3 LYS 89 HE3 LYS 89 -6.016 14.446 12.078 651 HZ1 LYS 89 HZ1 LYS 89 -5.806 16.514 13.317 652 HZ2 LYS 89 HZ2 LYS 89 -4.117 16.420 13.232 653 HZ3 LYS 89 HZ3 LYS 89 -4.989 15.253 14.101 654 H TYR 90 H TYR 90 -3.946 12.764 8.921 655 HA TYR 90 HA TYR 90 -2.869 14.118 6.545 656 HB2 TYR 90 HB2 TYR 90 -5.603 12.843 6.803 657 HB3 TYR 90 HB3 TYR 90 -4.772 13.328 5.334 658 HD1 TYR 90 HD2 TYR 90 -2.247 12.127 5.275 659 HD2 TYR 90 HD1 TYR 90 -5.812 10.598 7.010 660 HE1 TYR 90 HE2 TYR 90 -1.386 9.840 5.013 661 HE2 TYR 90 HE1 TYR 90 -4.964 8.307 6.755 662 HH TYR 90 HH TYR 90 -1.740 7.614 6.039 663 H LYS 91 H LYS 91 -3.882 15.957 5.694 664 HA LYS 91 HA LYS 91 -6.044 17.124 7.301 665 HB2 LYS 91 HB2 LYS 91 -4.626 19.370 6.587 666 HB3 LYS 91 HB3 LYS 91 -4.610 18.625 8.171 667 HG2 LYS 91 HG2 LYS 91 -2.350 19.073 7.587 668 HG3 LYS 91 HG3 LYS 91 -2.563 17.336 7.442 669 HD2 LYS 91 HD2 LYS 91 -1.207 18.136 5.615 670 HD3 LYS 91 HD3 LYS 91 -2.764 17.609 4.983 671 HE2 LYS 91 HE2 LYS 91 -3.457 19.759 4.524 672 HE3 LYS 91 HE3 LYS 91 -2.337 20.490 5.682 673 HZ1 LYS 91 HZ1 LYS 91 -1.490 19.144 3.174 674 HZ2 LYS 91 HZ2 LYS 91 -0.538 20.092 4.210 675 HZ3 LYS 91 HZ3 LYS 91 -1.769 20.811 3.295 676 H ASP 92 H ASP 92 -7.121 16.119 5.270 677 HA ASP 92 HA ASP 92 -8.076 18.405 3.817 678 HB2 ASP 92 HB2 ASP 92 -7.645 17.590 1.573 679 HB3 ASP 92 HB3 ASP 92 -6.107 17.656 2.421 680 H ASN 93 H ASN 93 -9.418 16.929 1.804 681 HA ASN 93 HA ASN 93 -11.667 15.843 3.148 682 HB2 ASN 93 HB2 ASN 93 -10.861 15.750 0.243 683 HB3 ASN 93 HB3 ASN 93 -12.419 15.223 0.849 684 HD21 ASN 93 HD21 ASN 93 -13.562 16.655 -0.365 685 HD22 ASN 93 HD22 ASN 93 -13.553 18.360 -0.085 686 H ASP 94 H ASP 94 -8.703 14.307 1.989 687 HA ASP 94 HA ASP 94 -10.093 11.703 1.964 688 HB2 ASP 94 HB2 ASP 94 -9.158 12.828 -0.320 689 HB3 ASP 94 HB3 ASP 94 -7.721 11.979 0.221 690 H GLY 95 H GLY 95 -6.714 12.978 1.939 691 HA2 GLY 95 HA2 GLY 95 -5.744 11.598 4.100 692 HA3 GLY 95 HA3 GLY 95 -5.740 10.424 2.792 693 H HIS 96 H HIS 96 -5.049 13.886 2.686 694 HA HIS 96 HA HIS 96 -2.429 13.300 1.523 695 HB2 HIS 96 HB2 HIS 96 -4.236 15.690 1.488 696 HB3 HIS 96 HB3 HIS 96 -2.522 15.881 1.127 697 HD1 HIS 96 HD1 HIS 96 -5.709 15.031 -0.382 698 HD2 HIS 96 HD2 HIS 96 -1.716 14.182 -1.159 699 HE1 HIS 96 HE1 HIS 96 -5.647 14.218 -2.758 700 HE2 HIS 96 HE2 HIS 96 -3.204 13.908 -3.261 701 H THR 97 H THR 97 -0.576 14.013 2.380 702 HA THR 97 HA THR 97 -0.669 15.442 4.917 703 HB THR 97 HB THR 97 -0.579 13.095 5.569 704 HG1 THR 97 HG1 THR 97 0.628 13.965 7.055 705 HG21 THR 97 HG21 THR 97 1.330 11.655 4.995 706 HG22 THR 97 HG22 THR 97 1.928 12.896 3.891 707 HG23 THR 97 HG23 THR 97 0.388 12.096 3.572 708 H ASP 98 H ASP 98 1.183 16.691 5.323 709 HA ASP 98 HA ASP 98 2.863 17.065 2.955 710 HB2 ASP 98 HB2 ASP 98 1.464 18.993 3.900 711 HB3 ASP 98 HB3 ASP 98 2.622 19.029 5.220 712 H ALA 99 H ALA 99 2.876 15.530 5.833 713 HA ALA 99 HA ALA 99 5.523 15.984 6.785 714 HB1 ALA 99 HB1 ALA 99 3.714 13.597 7.160 715 HB2 ALA 99 HB2 ALA 99 3.782 15.019 8.201 716 HB3 ALA 99 HB3 ALA 99 5.174 13.942 8.088 717 H ILE 100 H ILE 100 4.051 13.792 4.456 718 HA ILE 100 HA ILE 100 6.727 13.053 3.512 719 HB ILE 100 HB ILE 100 4.149 12.086 2.275 720 HG12 ILE 100 HG12 ILE 100 5.641 10.656 4.487 721 HG13 ILE 100 HG13 ILE 100 4.156 11.564 4.739 722 HG21 ILE 100 HG21 ILE 100 6.948 10.960 2.392 723 HG22 ILE 100 HG22 ILE 100 6.200 11.763 1.011 724 HG23 ILE 100 HG23 ILE 100 5.581 10.209 1.570 725 HD11 ILE 100 HD11 ILE 100 2.967 10.057 3.251 726 HD12 ILE 100 HD12 ILE 100 3.733 9.179 4.576 727 HD13 ILE 100 HD13 ILE 100 4.455 9.154 2.967 728 H SER 101 H SER 101 7.298 15.058 2.662 729 HA SER 101 HA SER 101 5.650 16.489 0.816 730 HB2 SER 101 HB2 SER 101 8.634 16.739 1.273 731 HB3 SER 101 HB3 SER 101 7.588 17.929 0.493 732 HG SER 101 HG SER 101 6.439 17.538 2.761 733 H GLY 102 H GLY 102 5.108 15.597 -1.026 734 HA2 GLY 102 HA2 GLY 102 6.285 15.372 -3.323 735 HA3 GLY 102 HA3 GLY 102 7.086 14.021 -2.528 736 H ALA 103 H ALA 103 4.358 13.754 -1.023 737 HA ALA 103 HA ALA 103 3.218 11.944 -2.995 738 HB1 ALA 103 HB1 ALA 103 1.953 11.015 -1.150 739 HB2 ALA 103 HB2 ALA 103 2.523 12.301 -0.086 740 HB3 ALA 103 HB3 ALA 103 3.662 11.119 -0.734 741 H THR 104 H THR 104 2.167 13.228 -4.412 742 HA THR 104 HA THR 104 0.082 15.034 -3.480 743 HB THR 104 HB THR 104 0.742 14.437 -6.371 744 HG1 THR 104 HG1 THR 104 2.127 16.038 -4.470 745 HG21 THR 104 HG21 THR 104 0.030 16.771 -6.698 746 HG22 THR 104 HG22 THR 104 -0.293 16.913 -4.970 747 HG23 THR 104 HG23 THR 104 -1.251 15.810 -5.959 748 H ILE 105 H ILE 105 0.436 11.773 -4.429 749 HA ILE 105 HA ILE 105 -2.407 11.372 -4.837 750 HB ILE 105 HB ILE 105 -0.455 9.977 -5.832 751 HG12 ILE 105 HG12 ILE 105 -2.976 9.426 -5.879 752 HG13 ILE 105 HG13 ILE 105 -1.832 8.158 -6.272 753 HG21 ILE 105 HG21 ILE 105 0.223 7.977 -4.561 754 HG22 ILE 105 HG22 ILE 105 -0.566 8.657 -3.137 755 HG23 ILE 105 HG23 ILE 105 0.805 9.492 -3.867 756 HD11 ILE 105 HD11 ILE 105 -2.151 7.171 -4.077 757 HD12 ILE 105 HD12 ILE 105 -3.692 7.353 -4.919 758 HD13 ILE 105 HD13 ILE 105 -3.249 8.480 -3.635 759 H LYS 106 H LYS 106 -3.814 10.513 -3.186 760 HA LYS 106 HA LYS 106 -3.112 11.264 -0.565 761 HB2 LYS 106 HB2 LYS 106 -5.239 10.417 0.186 762 HB3 LYS 106 HB3 LYS 106 -5.437 11.337 -1.290 763 HG2 LYS 106 HG2 LYS 106 -5.269 8.350 -1.371 764 HG3 LYS 106 HG3 LYS 106 -6.774 9.164 -0.946 765 HD2 LYS 106 HD2 LYS 106 -6.588 10.437 -3.088 766 HD3 LYS 106 HD3 LYS 106 -5.222 9.402 -3.516 767 HE2 LYS 106 HE2 LYS 106 -7.169 8.491 -4.544 768 HE3 LYS 106 HE3 LYS 106 -6.732 7.431 -3.205 769 HZ1 LYS 106 HZ1 LYS 106 -8.420 8.682 -1.856 770 HZ2 LYS 106 HZ2 LYS 106 -9.058 7.740 -3.112 771 HZ3 LYS 106 HZ3 LYS 106 -8.932 9.420 -3.297 772 H VAL 107 H VAL 107 -2.106 10.364 0.894 773 HA VAL 107 HA VAL 107 -0.787 7.847 0.696 774 HB VAL 107 HB VAL 107 -0.929 10.049 2.763 775 HG11 VAL 107 HG11 VAL 107 -0.327 8.013 3.949 776 HG12 VAL 107 HG12 VAL 107 1.024 9.143 3.856 777 HG13 VAL 107 HG13 VAL 107 0.976 7.735 2.795 778 HG21 VAL 107 HG21 VAL 107 1.294 10.596 1.978 779 HG22 VAL 107 HG22 VAL 107 0.132 10.601 0.647 780 HG23 VAL 107 HG23 VAL 107 1.233 9.235 0.857 781 H LYS 108 H LYS 108 -3.809 8.782 1.808 782 HA LYS 108 HA LYS 108 -4.394 7.510 4.157 783 HB2 LYS 108 HB2 LYS 108 -5.911 9.004 2.866 784 HB3 LYS 108 HB3 LYS 108 -6.178 7.707 1.713 785 HG2 LYS 108 HG2 LYS 108 -7.001 6.364 3.761 786 HG3 LYS 108 HG3 LYS 108 -7.138 7.950 4.528 787 HD2 LYS 108 HD2 LYS 108 -8.502 8.684 2.562 788 HD3 LYS 108 HD3 LYS 108 -8.497 7.008 2.010 789 HE2 LYS 108 HE2 LYS 108 -10.538 7.402 3.196 790 HE3 LYS 108 HE3 LYS 108 -9.519 6.356 4.183 791 HZ1 LYS 108 HZ1 LYS 108 -8.915 8.218 5.545 792 HZ2 LYS 108 HZ2 LYS 108 -10.609 8.163 5.441 793 HZ3 LYS 108 HZ3 LYS 108 -9.743 9.296 4.530 794 H LYS 109 H LYS 109 -4.644 6.060 0.897 795 HA LYS 109 HA LYS 109 -5.773 3.621 1.786 796 HB2 LYS 109 HB2 LYS 109 -5.978 4.579 -0.512 797 HB3 LYS 109 HB3 LYS 109 -4.289 4.184 -0.789 798 HG2 LYS 109 HG2 LYS 109 -5.371 2.419 -1.789 799 HG3 LYS 109 HG3 LYS 109 -5.006 1.771 -0.194 800 HD2 LYS 109 HD2 LYS 109 -7.246 1.158 -0.690 801 HD3 LYS 109 HD3 LYS 109 -7.323 2.454 0.505 802 HE2 LYS 109 HE2 LYS 109 -8.990 2.694 -1.315 803 HE3 LYS 109 HE3 LYS 109 -7.887 4.061 -1.193 804 HZ1 LYS 109 HZ1 LYS 109 -8.327 3.291 -3.500 805 HZ2 LYS 109 HZ2 LYS 109 -7.534 1.834 -3.133 806 HZ3 LYS 109 HZ3 LYS 109 -6.687 3.292 -3.085 807 H PHE 110 H PHE 110 -2.447 4.679 1.340 808 HA PHE 110 HA PHE 110 -1.213 2.140 1.383 809 HB2 PHE 110 HB2 PHE 110 0.022 4.087 0.583 810 HB3 PHE 110 HB3 PHE 110 -0.139 4.870 2.149 811 HD1 PHE 110 HD1 PHE 110 1.368 1.869 0.529 812 HD2 PHE 110 HD2 PHE 110 1.465 4.635 3.761 813 HE1 PHE 110 HE1 PHE 110 3.459 0.849 1.343 814 HE2 PHE 110 HE2 PHE 110 3.541 3.620 4.576 815 HZ PHE 110 HZ PHE 110 4.532 1.725 3.387 816 H PHE 111 H PHE 111 -1.580 4.562 3.985 817 HA PHE 111 HA PHE 111 -0.562 2.812 5.985 818 HB2 PHE 111 HB2 PHE 111 -1.865 5.497 6.040 819 HB3 PHE 111 HB3 PHE 111 -1.678 4.602 7.541 820 HD1 PHE 111 HD1 PHE 111 0.592 4.058 8.375 821 HD2 PHE 111 HD2 PHE 111 -0.014 6.528 4.971 822 HE1 PHE 111 HE1 PHE 111 2.895 4.879 8.582 823 HE2 PHE 111 HE2 PHE 111 2.304 7.353 5.166 824 HZ PHE 111 HZ PHE 111 3.759 6.530 6.975 825 H ASP 112 H ASP 112 -3.722 3.393 4.713 826 HA ASP 112 HA ASP 112 -5.397 2.322 6.694 827 HB2 ASP 112 HB2 ASP 112 -5.726 3.356 4.181 828 HB3 ASP 112 HB3 ASP 112 -6.061 1.657 3.903 829 H LEU 113 H LEU 113 -3.987 0.791 3.843 830 HA LEU 113 HA LEU 113 -4.887 -1.832 4.582 831 HB2 LEU 113 HB2 LEU 113 -3.438 -0.641 2.269 832 HB3 LEU 113 HB3 LEU 113 -3.289 -2.356 2.531 833 HG LEU 113 HG LEU 113 -4.986 -1.967 0.889 834 HD11 LEU 113 HD11 LEU 113 -6.914 -3.065 1.924 835 HD12 LEU 113 HD12 LEU 113 -6.234 -2.740 3.521 836 HD13 LEU 113 HD13 LEU 113 -5.390 -3.812 2.404 837 HD21 LEU 113 HD21 LEU 113 -5.619 0.301 1.399 838 HD22 LEU 113 HD22 LEU 113 -6.349 -0.212 2.919 839 HD23 LEU 113 HD23 LEU 113 -7.049 -0.733 1.386 840 H ALA 114 H ALA 114 -1.997 0.010 5.071 841 HA ALA 114 HA ALA 114 -0.280 -2.128 5.769 842 HB1 ALA 114 HB1 ALA 114 1.071 -0.442 6.884 843 HB2 ALA 114 HB2 ALA 114 -0.260 0.711 6.777 844 HB3 ALA 114 HB3 ALA 114 0.529 0.136 5.308 845 H GLN 115 H GLN 115 -2.624 -0.223 7.609 846 HA GLN 115 HA GLN 115 -2.173 -1.399 10.159 847 HB2 GLN 115 HB2 GLN 115 -4.544 -0.007 8.927 848 HB3 GLN 115 HB3 GLN 115 -4.603 -0.651 10.561 849 HG2 GLN 115 HG2 GLN 115 -2.891 0.825 11.282 850 HG3 GLN 115 HG3 GLN 115 -2.558 1.342 9.632 851 HE21 GLN 115 HE21 GLN 115 -3.891 2.813 8.648 852 HE22 GLN 115 HE22 GLN 115 -5.099 3.712 9.504 853 H LYS 116 H LYS 116 -4.206 -2.203 7.433 854 HA LYS 116 HA LYS 116 -5.610 -4.324 8.705 855 HB2 LYS 116 HB2 LYS 116 -5.353 -3.620 5.778 856 HB3 LYS 116 HB3 LYS 116 -6.485 -4.791 6.447 857 HG2 LYS 116 HG2 LYS 116 -7.466 -2.964 7.820 858 HG3 LYS 116 HG3 LYS 116 -6.416 -1.828 6.975 859 HD2 LYS 116 HD2 LYS 116 -8.559 -1.741 5.939 860 HD3 LYS 116 HD3 LYS 116 -7.474 -2.585 4.832 861 HE2 LYS 116 HE2 LYS 116 -8.383 -4.707 5.444 862 HE3 LYS 116 HE3 LYS 116 -9.301 -3.992 6.772 863 HZ1 LYS 116 HZ1 LYS 116 -10.608 -2.764 5.136 864 HZ2 LYS 116 HZ2 LYS 116 -10.718 -4.438 4.882 865 HZ3 LYS 116 HZ3 LYS 116 -9.739 -3.492 3.876 866 H ALA 117 H ALA 117 -2.584 -4.087 7.025 867 HA ALA 117 HA ALA 117 -2.265 -6.811 6.341 868 HB1 ALA 117 HB1 ALA 117 -0.141 -4.769 6.949 869 HB2 ALA 117 HB2 ALA 117 -0.905 -5.022 5.379 870 HB3 ALA 117 HB3 ALA 117 0.090 -6.294 6.091 871 H LEU 118 H LEU 118 -1.659 -5.019 9.295 872 HA LEU 118 HA LEU 118 -0.515 -7.434 10.553 873 HB2 LEU 118 HB2 LEU 118 -0.348 -4.557 11.448 874 HB3 LEU 118 HB3 LEU 118 0.546 -5.915 12.110 875 HG LEU 118 HG LEU 118 0.909 -5.408 9.222 876 HD11 LEU 118 HD11 LEU 118 2.469 -3.603 9.610 877 HD12 LEU 118 HD12 LEU 118 2.044 -3.591 11.324 878 HD13 LEU 118 HD13 LEU 118 0.834 -3.162 10.110 879 HD21 LEU 118 HD21 LEU 118 3.215 -5.941 9.786 880 HD22 LEU 118 HD22 LEU 118 2.109 -7.177 10.388 881 HD23 LEU 118 HD23 LEU 118 2.795 -5.988 11.499 882 H LYS 119 H LYS 119 -3.415 -6.637 10.154 883 HA LYS 119 HA LYS 119 -4.540 -5.656 12.537 884 HB2 LYS 119 HB2 LYS 119 -6.709 -6.340 11.630 885 HB3 LYS 119 HB3 LYS 119 -5.717 -5.562 10.405 886 HG2 LYS 119 HG2 LYS 119 -5.174 -7.762 9.454 887 HG3 LYS 119 HG3 LYS 119 -6.172 -8.533 10.688 888 HD2 LYS 119 HD2 LYS 119 -7.240 -6.493 8.747 889 HD3 LYS 119 HD3 LYS 119 -7.238 -8.224 8.422 890 HE2 LYS 119 HE2 LYS 119 -8.528 -7.015 10.865 891 HE3 LYS 119 HE3 LYS 119 -9.395 -7.260 9.348 892 HZ1 LYS 119 HZ1 LYS 119 -8.099 -9.387 10.977 893 HZ2 LYS 119 HZ2 LYS 119 -8.912 -9.632 9.512 894 HZ3 LYS 119 HZ3 LYS 119 -9.765 -9.090 10.872 895 H ASP 120 H ASP 120 -4.122 -9.020 11.484 896 HA ASP 120 HA ASP 120 -5.124 -9.942 14.081 897 HB2 ASP 120 HB2 ASP 120 -4.388 -11.583 11.640 898 HB3 ASP 120 HB3 ASP 120 -5.176 -12.176 13.094 899 H ALA 121 H ALA 121 -2.288 -9.179 12.569 900 HA ALA 121 HA ALA 121 -0.128 -9.732 12.550 901 HB1 ALA 121 HB1 ALA 121 -0.594 -10.537 15.406 902 HB2 ALA 121 HB2 ALA 121 -0.346 -8.889 14.823 903 HB3 ALA 121 HB3 ALA 121 0.942 -10.083 14.665 904 H GLU 122 H GLU 122 -2.095 -11.974 11.933 905 HA GLU 122 HA GLU 122 0.024 -13.943 11.618 906 HB2 GLU 122 HB2 GLU 122 -2.713 -14.594 12.715 907 HB3 GLU 122 HB3 GLU 122 -1.697 -15.799 11.942 908 HG2 GLU 122 HG2 GLU 122 0.052 -14.883 13.720 909 HG3 GLU 122 HG3 GLU 122 -1.438 -14.506 14.584 910 H LYS 123 H LYS 123 0.025 -12.866 9.560 911 HA LYS 123 HA LYS 123 -2.175 -13.623 7.793 912 HB2 LYS 123 HB2 LYS 123 -0.198 -11.461 7.856 913 HB3 LYS 123 HB3 LYS 123 -0.392 -12.183 6.275 914 HG2 LYS 123 HG2 LYS 123 -1.817 -10.265 6.471 915 HG3 LYS 123 HG3 LYS 123 -2.800 -11.717 6.366 916 HD2 LYS 123 HD2 LYS 123 -2.170 -10.827 9.103 917 HD3 LYS 123 HD3 LYS 123 -3.174 -9.715 8.171 918 HE2 LYS 123 HE2 LYS 123 -3.767 -12.649 8.566 919 HE3 LYS 123 HE3 LYS 123 -4.476 -11.345 9.515 920 HZ1 LYS 123 HZ1 LYS 123 -4.836 -11.861 6.612 921 HZ2 LYS 123 HZ2 LYS 123 -5.346 -10.439 7.374 922 HZ3 LYS 123 HZ3 LYS 123 -6.014 -11.927 7.831 923 H LEU 124 H LEU 124 -1.617 -14.561 5.678 924 HA LEU 124 HA LEU 124 0.229 -16.739 6.089 925 HB2 LEU 124 HB2 LEU 124 -0.737 -17.809 4.212 926 HB3 LEU 124 HB3 LEU 124 -2.047 -17.095 5.121 927 HG LEU 124 HG LEU 124 -0.916 -15.797 2.632 928 HD11 LEU 124 HD11 LEU 124 -1.678 -18.040 2.072 929 HD12 LEU 124 HD12 LEU 124 -2.778 -16.825 1.420 930 HD13 LEU 124 HD13 LEU 124 -3.219 -17.729 2.869 931 HD21 LEU 124 HD21 LEU 124 -2.274 -14.347 4.081 932 HD22 LEU 124 HD22 LEU 124 -3.590 -15.518 4.012 933 HD23 LEU 124 HD23 LEU 124 -3.082 -14.676 2.549 934 H GLU 125 H GLU 125 1.618 -17.464 4.304 935 HA GLU 125 HA GLU 125 3.550 -17.298 3.188 936 HB2 GLU 125 HB2 GLU 125 2.384 -15.983 1.475 937 HB3 GLU 125 HB3 GLU 125 2.658 -14.516 2.396 938 HG2 GLU 125 HG2 GLU 125 4.183 -14.715 0.499 939 HG3 GLU 125 HG3 GLU 125 5.039 -14.684 2.037 940 H HIS 126 H HIS 126 5.454 -17.209 4.095 941 HA HIS 126 HA HIS 126 6.102 -14.898 5.772 942 HB2 HIS 126 HB2 HIS 126 7.392 -16.535 7.291 943 HB3 HIS 126 HB3 HIS 126 5.651 -16.420 7.468 944 HD1 HIS 126 HD1 HIS 126 4.309 -18.525 7.152 945 HD2 HIS 126 HD2 HIS 126 8.306 -18.998 6.112 946 HE1 HIS 126 HE1 HIS 126 4.636 -21.001 6.832 947 HE2 HIS 126 HE2 HIS 126 7.089 -21.277 6.346 948 H HIS 127 H HIS 127 6.947 -14.383 3.636 949 HA HIS 127 HA HIS 127 9.455 -15.606 2.854 950 HB2 HIS 127 HB2 HIS 127 7.822 -14.804 1.166 951 HB3 HIS 127 HB3 HIS 127 7.981 -13.170 1.792 952 HD1 HIS 127 HD1 HIS 127 9.881 -15.766 -0.174 953 HD2 HIS 127 HD2 HIS 127 10.126 -11.734 0.808 954 HE1 HIS 127 HE1 HIS 127 11.753 -14.837 -1.572 955 HE2 HIS 127 HE2 HIS 127 11.961 -12.429 -0.878 956 H HIS 128 H HIS 128 11.490 -14.570 2.978 957 HA HIS 128 HA HIS 128 11.554 -12.085 4.522 958 HB2 HIS 128 HB2 HIS 128 13.112 -14.585 5.075 959 HB3 HIS 128 HB3 HIS 128 13.781 -13.013 5.510 960 HD1 HIS 128 HD1 HIS 128 11.589 -15.597 6.781 961 HD2 HIS 128 HD2 HIS 128 11.909 -11.476 7.198 962 HE1 HIS 128 HE1 HIS 128 10.191 -15.009 8.783 963 HE2 HIS 128 HE2 HIS 128 10.232 -12.494 8.874 964 H HIS 129 H HIS 129 11.900 -10.766 3.040 965 HA HIS 129 HA HIS 129 14.255 -10.932 1.278 966 HB2 HIS 129 HB2 HIS 129 12.263 -10.518 0.078 967 HB3 HIS 129 HB3 HIS 129 11.612 -9.483 1.318 968 HD1 HIS 129 HD1 HIS 129 13.543 -9.454 -1.824 969 HD2 HIS 129 HD2 HIS 129 12.361 -6.765 1.118 970 HE1 HIS 129 HE1 HIS 129 13.822 -7.166 -2.842 971 HE2 HIS 129 HE2 HIS 129 13.242 -5.557 -0.994 972 H HIS 130 H HIS 130 15.391 -8.661 1.101 973 HA HIS 130 HA HIS 130 16.372 -6.780 1.896 974 HB2 HIS 130 HB2 HIS 130 14.203 -6.061 2.833 975 HB3 HIS 130 HB3 HIS 130 14.530 -6.970 4.297 976 HD1 HIS 130 HD1 HIS 130 16.138 -5.924 6.014 977 HD2 HIS 130 HD2 HIS 130 15.552 -3.593 2.620 978 HE1 HIS 130 HE1 HIS 130 17.037 -3.648 6.597 979 HE2 HIS 130 HE2 HIS 130 16.469 -2.213 4.617 980 H HIS 131 H HIS 131 18.386 -7.051 2.306 981 HA HIS 131 HA HIS 131 19.273 -8.862 4.422 982 HB2 HIS 131 HB2 HIS 131 20.177 -9.044 2.077 983 HB3 HIS 131 HB3 HIS 131 20.913 -7.463 2.289 984 HD1 HIS 131 HD1 HIS 131 21.223 -11.042 3.396 985 HD2 HIS 131 HD2 HIS 131 23.302 -7.455 3.753 986 HE1 HIS 131 HE1 HIS 131 23.479 -11.658 4.325 987 HE2 HIS 131 HE2 HIS 131 24.776 -9.500 4.378 Start of MODEL 19 1 H1 MET 1 H1 MET 1 4.121 -9.779 16.836 2 H2 MET 1 H2 MET 1 3.119 -10.867 16.012 3 H3 MET 1 H3 MET 1 2.674 -9.236 16.141 4 HA MET 1 HA MET 1 3.522 -9.769 13.942 5 HB2 MET 1 HB2 MET 1 5.163 -7.922 15.674 6 HB3 MET 1 HB3 MET 1 5.412 -8.043 13.938 7 HG2 MET 1 HG2 MET 1 3.174 -7.286 13.509 8 HG3 MET 1 HG3 MET 1 2.791 -7.325 15.227 9 HE1 MET 1 HE1 MET 1 6.117 -5.996 13.523 10 HE2 MET 1 HE2 MET 1 5.727 -4.286 13.335 11 HE3 MET 1 HE3 MET 1 4.853 -5.497 12.399 12 H LYS 2 H LYS 2 4.387 -11.524 13.184 13 HA LYS 2 HA LYS 2 6.903 -12.547 14.295 14 HB2 LYS 2 HB2 LYS 2 6.344 -14.665 13.133 15 HB3 LYS 2 HB3 LYS 2 5.086 -14.181 14.261 16 HG2 LYS 2 HG2 LYS 2 3.689 -13.419 12.479 17 HG3 LYS 2 HG3 LYS 2 4.980 -13.661 11.304 18 HD2 LYS 2 HD2 LYS 2 3.794 -15.890 12.943 19 HD3 LYS 2 HD3 LYS 2 3.198 -15.437 11.346 20 HE2 LYS 2 HE2 LYS 2 5.435 -15.867 10.409 21 HE3 LYS 2 HE3 LYS 2 6.000 -16.355 12.006 22 HZ1 LYS 2 HZ1 LYS 2 5.427 -18.261 10.639 23 HZ2 LYS 2 HZ2 LYS 2 3.842 -17.687 10.458 24 HZ3 LYS 2 HZ3 LYS 2 4.403 -18.161 11.987 25 H ASP 3 H ASP 3 8.408 -13.508 12.711 26 HA ASP 3 HA ASP 3 9.125 -11.657 10.690 27 HB2 ASP 3 HB2 ASP 3 10.768 -12.907 12.011 28 HB3 ASP 3 HB3 ASP 3 10.197 -14.423 11.321 29 H GLY 4 H GLY 4 8.169 -11.458 8.871 30 HA2 GLY 4 HA2 GLY 4 8.088 -13.291 6.805 31 HA3 GLY 4 HA3 GLY 4 6.513 -13.385 7.590 32 H THR 5 H THR 5 6.772 -12.488 4.956 33 HA THR 5 HA THR 5 6.405 -9.592 5.161 34 HB THR 5 HB THR 5 6.385 -11.154 2.580 35 HG1 THR 5 HG1 THR 5 8.731 -9.835 3.314 36 HG21 THR 5 HG21 THR 5 7.092 -9.019 1.617 37 HG22 THR 5 HG22 THR 5 7.068 -8.285 3.221 38 HG23 THR 5 HG23 THR 5 5.565 -8.853 2.488 39 H TYR 6 H TYR 6 4.495 -8.877 5.432 40 HA TYR 6 HA TYR 6 2.117 -10.530 5.011 41 HB2 TYR 6 HB2 TYR 6 2.447 -7.826 6.351 42 HB3 TYR 6 HB3 TYR 6 0.988 -8.800 6.355 43 HD1 TYR 6 HD2 TYR 6 4.568 -9.004 7.438 44 HD2 TYR 6 HD1 TYR 6 0.537 -10.101 8.162 45 HE1 TYR 6 HE2 TYR 6 5.235 -10.011 9.566 46 HE2 TYR 6 HE1 TYR 6 1.183 -11.081 10.299 47 HH TYR 6 HH TYR 6 3.106 -11.951 11.424 48 H TYR 7 H TYR 7 0.330 -9.744 3.861 49 HA TYR 7 HA TYR 7 0.700 -7.267 2.374 50 HB2 TYR 7 HB2 TYR 7 1.010 -8.312 0.410 51 HB3 TYR 7 HB3 TYR 7 0.993 -9.855 1.235 52 HD1 TYR 7 HD2 TYR 7 -1.106 -11.186 1.322 53 HD2 TYR 7 HD1 TYR 7 -0.797 -7.596 -0.932 54 HE1 TYR 7 HE2 TYR 7 -3.133 -11.810 0.062 55 HE2 TYR 7 HE1 TYR 7 -2.812 -8.204 -2.199 56 HH TYR 7 HH TYR 7 -4.986 -10.422 -1.220 57 H ALA 8 H ALA 8 -1.290 -6.189 1.891 58 HA ALA 8 HA ALA 8 -3.757 -7.616 2.584 59 HB1 ALA 8 HB1 ALA 8 -3.162 -6.311 4.558 60 HB2 ALA 8 HB2 ALA 8 -4.632 -5.705 3.791 61 HB3 ALA 8 HB3 ALA 8 -3.105 -4.852 3.571 62 H GLU 9 H GLU 9 -5.523 -7.006 1.408 63 HA GLU 9 HA GLU 9 -4.987 -5.140 -0.807 64 HB2 GLU 9 HB2 GLU 9 -6.416 -6.489 -2.199 65 HB3 GLU 9 HB3 GLU 9 -5.235 -7.542 -1.447 66 HG2 GLU 9 HG2 GLU 9 -8.040 -7.240 -0.403 67 HG3 GLU 9 HG3 GLU 9 -7.608 -8.410 -1.643 68 H ALA 10 H ALA 10 -6.575 -3.746 -1.432 69 HA ALA 10 HA ALA 10 -8.040 -2.568 0.668 70 HB1 ALA 10 HB1 ALA 10 -8.193 -1.997 -2.288 71 HB2 ALA 10 HB2 ALA 10 -7.021 -1.305 -1.166 72 HB3 ALA 10 HB3 ALA 10 -8.737 -0.934 -0.987 73 H ASP 11 H ASP 11 -10.328 -1.787 0.304 74 HA ASP 11 HA ASP 11 -12.059 -3.988 0.539 75 HB2 ASP 11 HB2 ASP 11 -12.450 -1.869 1.683 76 HB3 ASP 11 HB3 ASP 11 -12.682 -1.053 0.142 77 H ASP 12 H ASP 12 -11.665 -1.617 -2.084 78 HA ASP 12 HA ASP 12 -12.871 -3.549 -3.923 79 HB2 ASP 12 HB2 ASP 12 -14.393 -1.517 -2.991 80 HB3 ASP 12 HB3 ASP 12 -13.606 -0.688 -4.328 81 H PHE 13 H PHE 13 -12.692 -2.367 -6.243 82 HA PHE 13 HA PHE 13 -9.896 -1.599 -6.626 83 HB2 PHE 13 HB2 PHE 13 -12.108 -2.110 -8.635 84 HB3 PHE 13 HB3 PHE 13 -10.423 -1.819 -9.031 85 HD1 PHE 13 HD1 PHE 13 -8.755 -3.562 -8.706 86 HD2 PHE 13 HD2 PHE 13 -12.853 -4.267 -7.791 87 HE1 PHE 13 HE1 PHE 13 -8.327 -5.983 -8.665 88 HE2 PHE 13 HE2 PHE 13 -12.425 -6.690 -7.744 89 HZ PHE 13 HZ PHE 13 -10.161 -7.549 -8.182 90 H ASP 14 H ASP 14 -9.515 0.321 -8.145 91 HA ASP 14 HA ASP 14 -11.337 2.485 -7.475 92 HB2 ASP 14 HB2 ASP 14 -9.640 3.986 -8.030 93 HB3 ASP 14 HB3 ASP 14 -8.717 2.601 -7.478 94 H GLU 15 H GLU 15 -11.249 4.121 -9.699 95 HA GLU 15 HA GLU 15 -13.230 3.213 -11.427 96 HB2 GLU 15 HB2 GLU 15 -12.652 5.558 -11.062 97 HB3 GLU 15 HB3 GLU 15 -11.121 5.323 -11.891 98 HG2 GLU 15 HG2 GLU 15 -12.390 4.762 -13.953 99 HG3 GLU 15 HG3 GLU 15 -13.875 5.159 -13.087 100 H SER 16 H SER 16 -9.728 2.913 -11.704 101 HA SER 16 HA SER 16 -9.962 1.802 -14.399 102 HB2 SER 16 HB2 SER 16 -8.293 3.542 -13.970 103 HB3 SER 16 HB3 SER 16 -7.519 2.510 -12.769 104 HG SER 16 HG SER 16 -7.115 1.017 -14.439 105 H GLY 17 H GLY 17 -10.222 0.572 -11.377 106 HA2 GLY 17 HA2 GLY 17 -10.529 -1.659 -10.852 107 HA3 GLY 17 HA3 GLY 17 -9.853 -2.094 -12.415 108 H TRP 18 H TRP 18 -8.429 -0.132 -9.819 109 HA TRP 18 HA TRP 18 -6.419 -2.251 -9.471 110 HB2 TRP 18 HB2 TRP 18 -6.079 0.744 -9.366 111 HB3 TRP 18 HB3 TRP 18 -4.882 -0.373 -8.717 112 HD1 TRP 18 HD1 TRP 18 -6.078 1.136 -11.966 113 HE1 TRP 18 HE1 TRP 18 -4.621 0.245 -13.893 114 HE3 TRP 18 HE3 TRP 18 -3.561 -2.544 -9.493 115 HZ2 TRP 18 HZ2 TRP 18 -2.701 -1.729 -14.314 116 HZ3 TRP 18 HZ3 TRP 18 -1.926 -3.883 -10.732 117 HH2 TRP 18 HH2 TRP 18 -1.507 -3.481 -13.092 118 H LYS 19 H LYS 19 -6.522 -3.236 -7.675 119 HA LYS 19 HA LYS 19 -7.757 -2.021 -5.318 120 HB2 LYS 19 HB2 LYS 19 -8.576 -4.231 -6.001 121 HB3 LYS 19 HB3 LYS 19 -6.942 -4.870 -5.926 122 HG2 LYS 19 HG2 LYS 19 -6.886 -4.595 -3.539 123 HG3 LYS 19 HG3 LYS 19 -8.451 -3.779 -3.563 124 HD2 LYS 19 HD2 LYS 19 -8.074 -6.590 -4.562 125 HD3 LYS 19 HD3 LYS 19 -8.447 -6.227 -2.876 126 HE2 LYS 19 HE2 LYS 19 -10.488 -5.053 -3.613 127 HE3 LYS 19 HE3 LYS 19 -10.114 -5.489 -5.281 128 HZ1 LYS 19 HZ1 LYS 19 -11.724 -7.002 -4.289 129 HZ2 LYS 19 HZ2 LYS 19 -10.617 -7.415 -3.074 130 HZ3 LYS 19 HZ3 LYS 19 -10.290 -7.816 -4.688 131 H ASP 20 H ASP 20 -6.490 -1.111 -3.871 132 HA ASP 20 HA ASP 20 -3.682 -1.061 -4.132 133 HB2 ASP 20 HB2 ASP 20 -4.685 0.855 -3.207 134 HB3 ASP 20 HB3 ASP 20 -5.603 -0.071 -2.036 135 H THR 21 H THR 21 -2.135 -2.322 -3.319 136 HA THR 21 HA THR 21 -2.851 -3.863 -0.934 137 HB THR 21 HB THR 21 -1.397 -5.702 -1.601 138 HG1 THR 21 HG1 THR 21 -0.649 -3.955 -3.559 139 HG21 THR 21 HG21 THR 21 -2.745 -6.582 -3.487 140 HG22 THR 21 HG22 THR 21 -3.477 -4.983 -3.666 141 HG23 THR 21 HG23 THR 21 -3.721 -5.907 -2.182 142 H VAL 22 H VAL 22 -1.568 -3.657 0.717 143 HA VAL 22 HA VAL 22 0.946 -2.194 0.334 144 HB VAL 22 HB VAL 22 -0.969 -2.012 2.678 145 HG11 VAL 22 HG11 VAL 22 0.571 -0.371 3.638 146 HG12 VAL 22 HG12 VAL 22 1.709 -0.659 2.322 147 HG13 VAL 22 HG13 VAL 22 1.352 -1.944 3.476 148 HG21 VAL 22 HG21 VAL 22 -0.060 0.063 0.682 149 HG22 VAL 22 HG22 VAL 22 -1.133 0.352 2.051 150 HG23 VAL 22 HG23 VAL 22 -1.649 -0.699 0.732 151 H THR 23 H THR 23 2.610 -3.322 0.706 152 HA THR 23 HA THR 23 2.306 -5.903 2.047 153 HB THR 23 HB THR 23 4.581 -5.005 0.266 154 HG1 THR 23 HG1 THR 23 2.510 -4.798 -0.810 155 HG21 THR 23 HG21 THR 23 4.909 -7.052 1.572 156 HG22 THR 23 HG22 THR 23 4.830 -7.385 -0.161 157 HG23 THR 23 HG23 THR 23 3.439 -7.727 0.872 158 H ILE 24 H ILE 24 2.995 -5.904 4.119 159 HA ILE 24 HA ILE 24 5.106 -4.011 4.929 160 HB ILE 24 HB ILE 24 3.038 -5.431 6.637 161 HG12 ILE 24 HG12 ILE 24 2.120 -3.707 5.093 162 HG13 ILE 24 HG13 ILE 24 1.870 -3.336 6.800 163 HG21 ILE 24 HG21 ILE 24 5.024 -3.292 7.413 164 HG22 ILE 24 HG22 ILE 24 5.069 -4.987 7.898 165 HG23 ILE 24 HG23 ILE 24 3.754 -3.949 8.448 166 HD11 ILE 24 HD11 ILE 24 3.946 -2.112 4.991 167 HD12 ILE 24 HD12 ILE 24 3.732 -1.737 6.702 168 HD13 ILE 24 HD13 ILE 24 2.456 -1.348 5.546 169 H GLU 25 H GLU 25 7.050 -4.949 5.117 170 HA GLU 25 HA GLU 25 7.174 -7.816 5.652 171 HB2 GLU 25 HB2 GLU 25 8.433 -7.101 3.738 172 HB3 GLU 25 HB3 GLU 25 9.254 -5.866 4.680 173 HG2 GLU 25 HG2 GLU 25 10.588 -7.404 5.773 174 HG3 GLU 25 HG3 GLU 25 9.538 -8.770 5.377 175 H VAL 26 H VAL 26 7.337 -8.433 7.596 176 HA VAL 26 HA VAL 26 8.747 -6.810 9.581 177 HB VAL 26 HB VAL 26 6.803 -9.103 9.975 178 HG11 VAL 26 HG11 VAL 26 6.803 -8.439 12.349 179 HG12 VAL 26 HG12 VAL 26 8.116 -7.308 12.016 180 HG13 VAL 26 HG13 VAL 26 8.372 -9.044 11.817 181 HG21 VAL 26 HG21 VAL 26 5.714 -7.133 9.128 182 HG22 VAL 26 HG22 VAL 26 6.470 -6.144 10.379 183 HG23 VAL 26 HG23 VAL 26 5.291 -7.379 10.821 184 H LYS 27 H LYS 27 10.714 -7.401 10.021 185 HA LYS 27 HA LYS 27 11.411 -10.243 9.970 186 HB2 LYS 27 HB2 LYS 27 12.177 -9.049 7.893 187 HB3 LYS 27 HB3 LYS 27 13.148 -8.008 8.918 188 HG2 LYS 27 HG2 LYS 27 14.581 -9.775 9.534 189 HG3 LYS 27 HG3 LYS 27 13.470 -10.988 8.888 190 HD2 LYS 27 HD2 LYS 27 14.931 -8.917 7.255 191 HD3 LYS 27 HD3 LYS 27 15.387 -10.616 7.401 192 HE2 LYS 27 HE2 LYS 27 13.264 -11.285 6.416 193 HE3 LYS 27 HE3 LYS 27 12.765 -9.599 6.321 194 HZ1 LYS 27 HZ1 LYS 27 13.594 -10.463 4.206 195 HZ2 LYS 27 HZ2 LYS 27 15.103 -10.751 4.917 196 HZ3 LYS 27 HZ3 LYS 27 14.523 -9.170 4.775 197 H ASN 28 H ASN 28 12.378 -10.844 11.769 198 HA ASN 28 HA ASN 28 13.218 -10.825 13.879 199 HB2 ASN 28 HB2 ASN 28 14.372 -8.189 13.000 200 HB3 ASN 28 HB3 ASN 28 14.740 -8.924 14.554 201 HD21 ASN 28 HD21 ASN 28 15.354 -8.854 11.197 202 HD22 ASN 28 HD22 ASN 28 16.593 -10.058 11.149 203 H GLY 29 H GLY 29 10.558 -9.889 13.428 204 HA2 GLY 29 HA2 GLY 29 8.826 -9.108 14.708 205 HA3 GLY 29 HA3 GLY 29 9.990 -8.701 15.946 206 H LYS 30 H LYS 30 10.882 -7.145 13.111 207 HA LYS 30 HA LYS 30 9.302 -4.755 13.781 208 HB2 LYS 30 HB2 LYS 30 11.332 -3.379 13.556 209 HB3 LYS 30 HB3 LYS 30 11.464 -4.527 14.880 210 HG2 LYS 30 HG2 LYS 30 12.794 -6.004 13.390 211 HG3 LYS 30 HG3 LYS 30 12.748 -4.738 12.163 212 HD2 LYS 30 HD2 LYS 30 14.828 -4.590 13.344 213 HD3 LYS 30 HD3 LYS 30 13.827 -3.206 13.790 214 HE2 LYS 30 HE2 LYS 30 13.170 -4.360 15.854 215 HE3 LYS 30 HE3 LYS 30 14.188 -5.730 15.405 216 HZ1 LYS 30 HZ1 LYS 30 16.120 -4.320 15.516 217 HZ2 LYS 30 HZ2 LYS 30 15.272 -4.231 16.982 218 HZ3 LYS 30 HZ3 LYS 30 15.164 -2.963 15.861 219 H ILE 31 H ILE 31 9.200 -3.153 12.008 220 HA ILE 31 HA ILE 31 8.971 -4.492 9.469 221 HB ILE 31 HB ILE 31 8.560 -1.551 10.074 222 HG12 ILE 31 HG12 ILE 31 6.493 -3.763 9.983 223 HG13 ILE 31 HG13 ILE 31 7.123 -3.051 11.462 224 HG21 ILE 31 HG21 ILE 31 7.611 -3.266 7.778 225 HG22 ILE 31 HG22 ILE 31 8.849 -2.010 7.705 226 HG23 ILE 31 HG23 ILE 31 7.174 -1.578 8.049 227 HD11 ILE 31 HD11 ILE 31 5.598 -1.569 9.332 228 HD12 ILE 31 HD12 ILE 31 6.172 -0.903 10.862 229 HD13 ILE 31 HD13 ILE 31 4.928 -2.154 10.855 230 H VAL 32 H VAL 32 10.687 -4.798 8.209 231 HA VAL 32 HA VAL 32 12.854 -2.821 8.320 232 HB VAL 32 HB VAL 32 14.329 -4.497 7.336 233 HG11 VAL 32 HG11 VAL 32 14.154 -4.388 9.756 234 HG12 VAL 32 HG12 VAL 32 14.441 -6.045 9.225 235 HG13 VAL 32 HG13 VAL 32 12.825 -5.547 9.728 236 HG21 VAL 32 HG21 VAL 32 11.949 -6.347 7.427 237 HG22 VAL 32 HG22 VAL 32 13.607 -6.833 7.073 238 HG23 VAL 32 HG23 VAL 32 12.754 -5.742 5.980 239 H SER 33 H SER 33 10.311 -3.909 6.373 240 HA SER 33 HA SER 33 11.266 -2.392 4.085 241 HB2 SER 33 HB2 SER 33 10.379 -5.266 3.730 242 HB3 SER 33 HB3 SER 33 10.930 -4.166 2.474 243 HG SER 33 HG SER 33 12.365 -5.868 3.879 244 H VAL 34 H VAL 34 9.588 -1.896 2.634 245 HA VAL 34 HA VAL 34 6.975 -3.004 3.046 246 HB VAL 34 HB VAL 34 6.825 -1.149 4.607 247 HG11 VAL 34 HG11 VAL 34 7.065 1.174 3.898 248 HG12 VAL 34 HG12 VAL 34 7.622 0.611 2.321 249 HG13 VAL 34 HG13 VAL 34 8.571 0.265 3.766 250 HG21 VAL 34 HG21 VAL 34 5.318 -0.522 2.073 251 HG22 VAL 34 HG22 VAL 34 4.936 0.111 3.675 252 HG23 VAL 34 HG23 VAL 34 4.806 -1.620 3.355 253 H ASP 35 H ASP 35 5.840 -3.067 1.232 254 HA ASP 35 HA ASP 35 7.119 -2.048 -1.215 255 HB2 ASP 35 HB2 ASP 35 7.402 -4.545 -0.700 256 HB3 ASP 35 HB3 ASP 35 5.674 -4.694 -1.005 257 H TRP 36 H TRP 36 5.818 -1.236 -2.725 258 HA TRP 36 HA TRP 36 2.981 -0.968 -2.041 259 HB2 TRP 36 HB2 TRP 36 3.362 1.084 -3.751 260 HB3 TRP 36 HB3 TRP 36 3.560 1.225 -2.011 261 HD1 TRP 36 HD1 TRP 36 6.019 1.560 -1.077 262 HE1 TRP 36 HE1 TRP 36 8.244 2.210 -2.187 263 HE3 TRP 36 HE3 TRP 36 4.720 0.854 -5.975 264 HZ2 TRP 36 HZ2 TRP 36 9.300 2.418 -4.791 265 HZ3 TRP 36 HZ3 TRP 36 6.399 1.310 -7.711 266 HH2 TRP 36 HH2 TRP 36 8.639 2.077 -7.129 267 H ASN 37 H ASN 37 1.459 -1.529 -3.479 268 HA ASN 37 HA ASN 37 2.120 -2.414 -6.152 269 HB2 ASN 37 HB2 ASN 37 3.105 -4.122 -4.598 270 HB3 ASN 37 HB3 ASN 37 1.498 -4.436 -3.976 271 HD21 ASN 37 HD21 ASN 37 1.619 -6.554 -4.504 272 HD22 ASN 37 HD22 ASN 37 1.513 -7.123 -6.129 273 H ALA 38 H ALA 38 0.118 -3.533 -7.144 274 HA ALA 38 HA ALA 38 -2.391 -3.177 -5.729 275 HB1 ALA 38 HB1 ALA 38 -1.998 -0.962 -6.703 276 HB2 ALA 38 HB2 ALA 38 -3.391 -1.762 -7.435 277 HB3 ALA 38 HB3 ALA 38 -1.855 -1.700 -8.300 278 H ILE 39 H ILE 39 -4.174 -4.232 -6.784 279 HA ILE 39 HA ILE 39 -3.336 -6.362 -8.655 280 HB ILE 39 HB ILE 39 -5.859 -6.255 -6.968 281 HG12 ILE 39 HG12 ILE 39 -3.304 -7.754 -6.377 282 HG13 ILE 39 HG13 ILE 39 -3.794 -6.268 -5.579 283 HG21 ILE 39 HG21 ILE 39 -6.031 -7.746 -8.893 284 HG22 ILE 39 HG22 ILE 39 -5.967 -8.678 -7.396 285 HG23 ILE 39 HG23 ILE 39 -4.534 -8.556 -8.419 286 HD11 ILE 39 HD11 ILE 39 -5.775 -7.399 -4.698 287 HD12 ILE 39 HD12 ILE 39 -4.280 -8.185 -4.190 288 HD13 ILE 39 HD13 ILE 39 -5.258 -8.895 -5.475 289 H ASN 40 H ASN 40 -4.251 -6.456 -10.697 290 HA ASN 40 HA ASN 40 -6.166 -4.344 -11.346 291 HB2 ASN 40 HB2 ASN 40 -4.153 -4.595 -12.765 292 HB3 ASN 40 HB3 ASN 40 -4.711 -6.195 -13.242 293 HD21 ASN 40 HD21 ASN 40 -5.590 -2.769 -13.281 294 HD22 ASN 40 HD22 ASN 40 -6.490 -2.846 -14.757 295 H LYS 41 H LYS 41 -8.111 -4.625 -12.084 296 HA LYS 41 HA LYS 41 -9.684 -6.788 -11.299 297 HB2 LYS 41 HB2 LYS 41 -10.440 -4.472 -11.516 298 HB3 LYS 41 HB3 LYS 41 -10.221 -4.548 -13.254 299 HG2 LYS 41 HG2 LYS 41 -11.983 -6.353 -13.267 300 HG3 LYS 41 HG3 LYS 41 -12.294 -5.925 -11.581 301 HD2 LYS 41 HD2 LYS 41 -12.757 -3.626 -12.235 302 HD3 LYS 41 HD3 LYS 41 -12.404 -4.025 -13.915 303 HE2 LYS 41 HE2 LYS 41 -14.633 -5.204 -12.259 304 HE3 LYS 41 HE3 LYS 41 -14.817 -3.951 -13.486 305 HZ1 LYS 41 HZ1 LYS 41 -13.925 -5.558 -15.122 306 HZ2 LYS 41 HZ2 LYS 41 -15.389 -6.058 -14.429 307 HZ3 LYS 41 HZ3 LYS 41 -13.930 -6.753 -13.920 308 H ASP 42 H ASP 42 -8.528 -5.884 -14.525 309 HA ASP 42 HA ASP 42 -9.948 -8.042 -15.799 310 HB2 ASP 42 HB2 ASP 42 -9.672 -5.873 -16.924 311 HB3 ASP 42 HB3 ASP 42 -7.926 -6.094 -16.930 312 H GLY 43 H GLY 43 -6.663 -7.325 -14.816 313 HA2 GLY 43 HA2 GLY 43 -5.428 -9.489 -16.222 314 HA3 GLY 43 HA3 GLY 43 -4.690 -8.506 -14.969 315 H GLY 44 H GLY 44 -6.169 -8.952 -12.788 316 HA2 GLY 44 HA2 GLY 44 -7.108 -10.647 -11.398 317 HA3 GLY 44 HA3 GLY 44 -6.426 -11.861 -12.468 318 H ASP 45 H ASP 45 -3.975 -9.867 -12.239 319 HA ASP 45 HA ASP 45 -2.844 -11.292 -9.931 320 HB2 ASP 45 HB2 ASP 45 -1.504 -10.386 -12.488 321 HB3 ASP 45 HB3 ASP 45 -0.622 -10.955 -11.078 322 H ASP 46 H ASP 46 -0.749 -10.115 -9.254 323 HA ASP 46 HA ASP 46 -1.431 -7.393 -8.470 324 HB2 ASP 46 HB2 ASP 46 0.960 -9.157 -7.883 325 HB3 ASP 46 HB3 ASP 46 0.708 -7.565 -7.183 326 H LYS 47 H LYS 47 0.299 -5.642 -8.791 327 HA LYS 47 HA LYS 47 0.602 -5.336 -11.570 328 HB2 LYS 47 HB2 LYS 47 0.344 -3.432 -10.056 329 HB3 LYS 47 HB3 LYS 47 1.941 -3.730 -9.386 330 HG2 LYS 47 HG2 LYS 47 2.958 -3.260 -11.559 331 HG3 LYS 47 HG3 LYS 47 1.361 -3.005 -12.257 332 HD2 LYS 47 HD2 LYS 47 2.429 -1.378 -9.967 333 HD3 LYS 47 HD3 LYS 47 2.663 -0.930 -11.656 334 HE2 LYS 47 HE2 LYS 47 0.081 -1.185 -11.810 335 HE3 LYS 47 HE3 LYS 47 0.139 -1.031 -10.053 336 HZ1 LYS 47 HZ1 LYS 47 -0.187 1.108 -11.121 337 HZ2 LYS 47 HZ2 LYS 47 1.259 0.912 -11.993 338 HZ3 LYS 47 HZ3 LYS 47 1.306 1.061 -10.305 339 H ASP 48 H ASP 48 2.977 -6.281 -9.139 340 HA ASP 48 HA ASP 48 5.291 -6.296 -10.725 341 HB2 ASP 48 HB2 ASP 48 5.331 -6.518 -8.282 342 HB3 ASP 48 HB3 ASP 48 4.541 -8.084 -8.397 343 H THR 49 H THR 49 2.860 -8.823 -10.210 344 HA THR 49 HA THR 49 4.119 -10.766 -11.880 345 HB THR 49 HB THR 49 1.198 -10.799 -11.137 346 HG1 THR 49 HG1 THR 49 3.465 -11.378 -9.490 347 HG21 THR 49 HG21 THR 49 1.588 -13.218 -10.989 348 HG22 THR 49 HG22 THR 49 3.291 -12.972 -11.378 349 HG23 THR 49 HG23 THR 49 2.052 -12.603 -12.577 350 H LEU 50 H LEU 50 1.659 -8.296 -12.369 351 HA LEU 50 HA LEU 50 0.695 -9.111 -14.902 352 HB2 LEU 50 HB2 LEU 50 0.784 -6.387 -13.610 353 HB3 LEU 50 HB3 LEU 50 -0.052 -6.729 -15.112 354 HG LEU 50 HG LEU 50 -0.703 -8.105 -12.510 355 HD11 LEU 50 HD11 LEU 50 -1.981 -5.711 -13.796 356 HD12 LEU 50 HD12 LEU 50 -1.038 -5.715 -12.304 357 HD13 LEU 50 HD13 LEU 50 -2.581 -6.569 -12.378 358 HD21 LEU 50 HD21 LEU 50 -1.415 -9.294 -14.529 359 HD22 LEU 50 HD22 LEU 50 -2.222 -7.835 -15.104 360 HD23 LEU 50 HD23 LEU 50 -2.798 -8.646 -13.648 361 H SER 51 H SER 51 3.437 -7.138 -13.948 362 HA SER 51 HA SER 51 4.147 -6.232 -16.538 363 HB2 SER 51 HB2 SER 51 5.915 -6.650 -14.117 364 HB3 SER 51 HB3 SER 51 6.276 -5.635 -15.514 365 HG SER 51 HG SER 51 4.305 -5.270 -13.521 366 H ARG 52 H ARG 52 4.692 -9.199 -14.819 367 HA ARG 52 HA ARG 52 6.836 -10.170 -16.460 368 HB2 ARG 52 HB2 ARG 52 6.514 -10.785 -14.069 369 HB3 ARG 52 HB3 ARG 52 5.045 -11.635 -14.508 370 HG2 ARG 52 HG2 ARG 52 6.841 -13.203 -14.176 371 HG3 ARG 52 HG3 ARG 52 6.374 -13.187 -15.877 372 HD2 ARG 52 HD2 ARG 52 8.288 -11.942 -16.487 373 HD3 ARG 52 HD3 ARG 52 8.663 -11.559 -14.807 374 HE ARG 52 HE ARG 52 8.799 -14.242 -14.834 375 HH11 ARG 52 HH11 ARG 52 10.257 -11.846 -16.944 376 HH12 ARG 52 HH12 ARG 52 11.679 -12.793 -17.234 377 HH21 ARG 52 HH21 ARG 52 10.657 -15.460 -15.188 378 HH22 ARG 52 HH22 ARG 52 11.902 -14.859 -16.240 379 H ASN 53 H ASN 53 3.312 -10.578 -16.387 380 HA ASN 53 HA ASN 53 3.445 -12.602 -18.483 381 HB2 ASN 53 HB2 ASN 53 1.125 -11.500 -16.898 382 HB3 ASN 53 HB3 ASN 53 0.937 -12.670 -18.200 383 HD21 ASN 53 HD21 ASN 53 1.828 -12.154 -14.927 384 HD22 ASN 53 HD22 ASN 53 2.129 -13.816 -14.523 385 H GLY 54 H GLY 54 2.611 -9.264 -18.095 386 HA2 GLY 54 HA2 GLY 54 2.648 -7.728 -19.931 387 HA3 GLY 54 HA3 GLY 54 2.173 -9.042 -20.997 388 H GLY 55 H GLY 55 0.598 -8.635 -17.935 389 HA2 GLY 55 HA2 GLY 55 -1.863 -7.879 -19.368 390 HA3 GLY 55 HA3 GLY 55 -1.817 -8.805 -17.876 391 H TYR 56 H TYR 56 0.252 -6.032 -18.259 392 HA TYR 56 HA TYR 56 -1.142 -4.654 -16.120 393 HB2 TYR 56 HB2 TYR 56 1.304 -4.736 -16.061 394 HB3 TYR 56 HB3 TYR 56 1.402 -3.973 -17.635 395 HD1 TYR 56 HD2 TYR 56 -0.859 -2.806 -14.926 396 HD2 TYR 56 HD1 TYR 56 2.795 -2.171 -17.004 397 HE1 TYR 56 HE2 TYR 56 -0.658 -0.598 -13.867 398 HE2 TYR 56 HE1 TYR 56 3.026 0.030 -15.939 399 HH TYR 56 HH TYR 56 1.387 1.770 -14.890 400 H LYS 57 H LYS 57 -3.075 -4.508 -17.491 401 HA LYS 57 HA LYS 57 -3.018 -2.070 -19.138 402 HB2 LYS 57 HB2 LYS 57 -5.161 -4.201 -19.187 403 HB3 LYS 57 HB3 LYS 57 -4.960 -2.871 -20.310 404 HG2 LYS 57 HG2 LYS 57 -2.862 -3.937 -21.113 405 HG3 LYS 57 HG3 LYS 57 -3.205 -5.306 -20.053 406 HD2 LYS 57 HD2 LYS 57 -4.871 -4.341 -22.382 407 HD3 LYS 57 HD3 LYS 57 -3.951 -5.838 -22.281 408 HE2 LYS 57 HE2 LYS 57 -6.340 -5.131 -20.571 409 HE3 LYS 57 HE3 LYS 57 -6.371 -6.199 -21.971 410 HZ1 LYS 57 HZ1 LYS 57 -4.801 -6.674 -19.495 411 HZ2 LYS 57 HZ2 LYS 57 -4.900 -7.715 -20.824 412 HZ3 LYS 57 HZ3 LYS 57 -6.280 -7.415 -19.872 413 H MET 58 H MET 58 -3.703 -0.437 -17.994 414 HA MET 58 HA MET 58 -5.538 -0.599 -15.819 415 HB2 MET 58 HB2 MET 58 -4.695 1.796 -17.491 416 HB3 MET 58 HB3 MET 58 -5.610 1.880 -16.001 417 HG2 MET 58 HG2 MET 58 -3.426 2.423 -15.383 418 HG3 MET 58 HG3 MET 58 -3.643 0.757 -14.870 419 HE1 MET 58 HE1 MET 58 -1.071 2.140 -18.439 420 HE2 MET 58 HE2 MET 58 -1.802 3.221 -17.251 421 HE3 MET 58 HE3 MET 58 -2.822 2.350 -18.396 422 H VAL 59 H VAL 59 -7.796 -0.679 -15.951 423 HA VAL 59 HA VAL 59 -8.833 -1.031 -18.609 424 HB VAL 59 HB VAL 59 -10.828 -1.890 -17.744 425 HG11 VAL 59 HG11 VAL 59 -10.167 -3.524 -16.044 426 HG12 VAL 59 HG12 VAL 59 -8.675 -2.621 -15.773 427 HG13 VAL 59 HG13 VAL 59 -8.978 -3.374 -17.339 428 HG21 VAL 59 HG21 VAL 59 -10.237 -0.636 -15.065 429 HG22 VAL 59 HG22 VAL 59 -11.605 -1.687 -15.432 430 HG23 VAL 59 HG23 VAL 59 -11.469 -0.113 -16.214 431 H GLU 60 H GLU 60 -8.467 1.625 -16.647 432 HA GLU 60 HA GLU 60 -10.100 3.157 -18.518 433 HB2 GLU 60 HB2 GLU 60 -11.311 3.112 -16.352 434 HB3 GLU 60 HB3 GLU 60 -9.885 3.754 -15.553 435 HG2 GLU 60 HG2 GLU 60 -11.523 5.499 -15.908 436 HG3 GLU 60 HG3 GLU 60 -10.075 5.807 -16.865 437 H TYR 61 H TYR 61 -8.535 3.939 -19.747 438 HA TYR 61 HA TYR 61 -6.066 4.921 -18.620 439 HB2 TYR 61 HB2 TYR 61 -7.133 5.038 -21.451 440 HB3 TYR 61 HB3 TYR 61 -5.526 5.561 -20.962 441 HD1 TYR 61 HD1 TYR 61 -3.931 3.826 -20.009 442 HD2 TYR 61 HD2 TYR 61 -7.568 2.765 -21.942 443 HE1 TYR 61 HE1 TYR 61 -3.096 1.534 -20.316 444 HE2 TYR 61 HE2 TYR 61 -6.738 0.470 -22.251 445 HH TYR 61 HH TYR 61 -4.625 -0.732 -22.348 446 H GLY 62 H GLY 62 -6.596 6.502 -17.278 447 HA2 GLY 62 HA2 GLY 62 -6.877 9.112 -17.735 448 HA3 GLY 62 HA3 GLY 62 -8.524 8.544 -17.998 449 H GLY 63 H GLY 63 -8.291 6.386 -16.083 450 HA2 GLY 63 HA2 GLY 63 -8.485 7.854 -13.570 451 HA3 GLY 63 HA3 GLY 63 -8.975 6.187 -13.848 452 H ALA 64 H ALA 64 -7.854 5.154 -12.287 453 HA ALA 64 HA ALA 64 -6.164 4.090 -11.229 454 HB1 ALA 64 HB1 ALA 64 -4.059 3.687 -12.362 455 HB2 ALA 64 HB2 ALA 64 -4.456 4.917 -13.562 456 HB3 ALA 64 HB3 ALA 64 -5.421 3.444 -13.459 457 H GLN 65 H GLN 65 -6.792 6.539 -10.355 458 HA GLN 65 HA GLN 65 -4.296 7.992 -9.879 459 HB2 GLN 65 HB2 GLN 65 -7.154 8.839 -9.371 460 HB3 GLN 65 HB3 GLN 65 -5.734 9.846 -9.140 461 HG2 GLN 65 HG2 GLN 65 -6.686 8.722 -11.770 462 HG3 GLN 65 HG3 GLN 65 -6.888 10.384 -11.217 463 HE21 GLN 65 HE21 GLN 65 -4.660 8.018 -12.446 464 HE22 GLN 65 HE22 GLN 65 -3.369 9.108 -12.781 465 H ALA 66 H ALA 66 -5.411 5.490 -8.503 466 HA ALA 66 HA ALA 66 -4.899 6.413 -5.755 467 HB1 ALA 66 HB1 ALA 66 -6.133 4.444 -4.977 468 HB2 ALA 66 HB2 ALA 66 -6.440 3.966 -6.646 469 HB3 ALA 66 HB3 ALA 66 -7.147 5.452 -6.011 470 H GLU 67 H GLU 67 -3.250 5.361 -8.224 471 HA GLU 67 HA GLU 67 -2.048 2.951 -7.181 472 HB2 GLU 67 HB2 GLU 67 -1.358 4.619 -9.586 473 HB3 GLU 67 HB3 GLU 67 -0.541 3.130 -9.143 474 HG2 GLU 67 HG2 GLU 67 -2.699 1.940 -9.384 475 HG3 GLU 67 HG3 GLU 67 -3.412 3.446 -9.973 476 H TRP 68 H TRP 68 -0.122 2.735 -6.296 477 HA TRP 68 HA TRP 68 1.444 4.994 -5.481 478 HB2 TRP 68 HB2 TRP 68 1.911 2.017 -5.186 479 HB3 TRP 68 HB3 TRP 68 2.801 3.285 -4.347 480 HD1 TRP 68 HD1 TRP 68 0.074 0.980 -3.751 481 HE1 TRP 68 HE1 TRP 68 -1.444 1.775 -1.840 482 HE3 TRP 68 HE3 TRP 68 1.676 5.823 -3.387 483 HZ2 TRP 68 HZ2 TRP 68 -1.922 4.145 -0.394 484 HZ3 TRP 68 HZ3 TRP 68 0.630 7.277 -1.730 485 HH2 TRP 68 HH2 TRP 68 -1.128 6.462 -0.255 486 H HIS 69 H HIS 69 1.787 5.632 -7.807 487 HA HIS 69 HA HIS 69 3.332 3.826 -9.450 488 HB2 HIS 69 HB2 HIS 69 1.431 5.174 -10.324 489 HB3 HIS 69 HB3 HIS 69 2.367 6.634 -10.045 490 HD1 HIS 69 HD1 HIS 69 3.697 7.433 -11.962 491 HD2 HIS 69 HD2 HIS 69 2.744 3.399 -12.311 492 HE1 HIS 69 HE1 HIS 69 4.537 6.735 -14.226 493 HE2 HIS 69 HE2 HIS 69 4.116 4.257 -14.343 494 H GLU 70 H GLU 70 3.951 6.711 -7.554 495 HA GLU 70 HA GLU 70 6.806 6.522 -8.051 496 HB2 GLU 70 HB2 GLU 70 5.962 7.835 -9.961 497 HB3 GLU 70 HB3 GLU 70 5.224 8.973 -8.847 498 HG2 GLU 70 HG2 GLU 70 7.497 9.513 -7.987 499 HG3 GLU 70 HG3 GLU 70 8.164 8.484 -9.257 500 H GLN 71 H GLN 71 4.119 8.278 -6.631 501 HA GLN 71 HA GLN 71 5.583 9.945 -4.865 502 HB2 GLN 71 HB2 GLN 71 2.692 9.099 -4.609 503 HB3 GLN 71 HB3 GLN 71 3.435 10.550 -3.959 504 HG2 GLN 71 HG2 GLN 71 2.471 11.495 -5.751 505 HG3 GLN 71 HG3 GLN 71 3.941 10.947 -6.546 506 HE21 GLN 71 HE21 GLN 71 1.315 11.496 -7.662 507 HE22 GLN 71 HE22 GLN 71 0.793 10.042 -8.435 508 H ALA 72 H ALA 72 4.629 6.688 -4.687 509 HA ALA 72 HA ALA 72 4.267 6.328 -1.915 510 HB1 ALA 72 HB1 ALA 72 3.383 4.821 -3.600 511 HB2 ALA 72 HB2 ALA 72 4.378 3.975 -2.412 512 HB3 ALA 72 HB3 ALA 72 5.023 4.328 -4.015 513 H GLU 73 H GLU 73 7.142 6.413 -3.908 514 HA GLU 73 HA GLU 73 8.943 5.010 -2.279 515 HB2 GLU 73 HB2 GLU 73 9.496 7.430 -4.005 516 HB3 GLU 73 HB3 GLU 73 10.705 6.305 -3.401 517 HG2 GLU 73 HG2 GLU 73 9.733 4.518 -4.712 518 HG3 GLU 73 HG3 GLU 73 8.458 5.597 -5.267 519 H LYS 74 H LYS 74 7.714 8.272 -2.036 520 HA LYS 74 HA LYS 74 9.506 9.061 0.064 521 HB2 LYS 74 HB2 LYS 74 6.900 10.311 -0.819 522 HB3 LYS 74 HB3 LYS 74 8.118 11.065 0.198 523 HG2 LYS 74 HG2 LYS 74 8.414 10.297 -2.705 524 HG3 LYS 74 HG3 LYS 74 8.280 11.927 -2.052 525 HD2 LYS 74 HD2 LYS 74 10.552 10.005 -1.509 526 HD3 LYS 74 HD3 LYS 74 10.595 11.336 -2.665 527 HE2 LYS 74 HE2 LYS 74 10.298 12.943 -0.884 528 HE3 LYS 74 HE3 LYS 74 10.124 11.645 0.295 529 HZ1 LYS 74 HZ1 LYS 74 12.556 12.399 -1.216 530 HZ2 LYS 74 HZ2 LYS 74 12.425 10.963 -0.331 531 HZ3 LYS 74 HZ3 LYS 74 12.315 12.453 0.458 532 H VAL 75 H VAL 75 6.347 7.633 -0.172 533 HA VAL 75 HA VAL 75 5.483 8.110 2.507 534 HB VAL 75 HB VAL 75 4.413 6.113 0.490 535 HG11 VAL 75 HG11 VAL 75 3.060 7.392 2.859 536 HG12 VAL 75 HG12 VAL 75 3.609 5.717 2.762 537 HG13 VAL 75 HG13 VAL 75 2.316 6.284 1.704 538 HG21 VAL 75 HG21 VAL 75 3.589 8.973 0.964 539 HG22 VAL 75 HG22 VAL 75 2.783 7.829 -0.111 540 HG23 VAL 75 HG23 VAL 75 4.431 8.352 -0.456 541 H GLU 76 H GLU 76 6.995 5.381 0.843 542 HA GLU 76 HA GLU 76 6.694 3.435 2.854 543 HB2 GLU 76 HB2 GLU 76 8.630 2.295 1.666 544 HB3 GLU 76 HB3 GLU 76 7.187 2.614 0.715 545 HG2 GLU 76 HG2 GLU 76 8.216 4.070 -0.624 546 HG3 GLU 76 HG3 GLU 76 9.237 4.706 0.661 547 H ALA 77 H ALA 77 9.295 5.744 2.254 548 HA ALA 77 HA ALA 77 11.115 4.880 4.189 549 HB1 ALA 77 HB1 ALA 77 12.082 7.101 4.034 550 HB2 ALA 77 HB2 ALA 77 10.626 7.683 3.225 551 HB3 ALA 77 HB3 ALA 77 11.654 6.488 2.436 552 H TYR 78 H TYR 78 8.297 6.950 4.467 553 HA TYR 78 HA TYR 78 8.763 7.804 7.137 554 HB2 TYR 78 HB2 TYR 78 7.310 8.989 5.493 555 HB3 TYR 78 HB3 TYR 78 6.142 7.682 5.644 556 HD1 TYR 78 HD2 TYR 78 7.829 10.388 7.520 557 HD2 TYR 78 HD1 TYR 78 4.566 7.665 7.413 558 HE1 TYR 78 HE2 TYR 78 6.793 11.561 9.413 559 HE2 TYR 78 HE1 TYR 78 3.527 8.827 9.306 560 HH TYR 78 HH TYR 78 4.612 11.869 10.412 561 H LEU 79 H LEU 79 7.089 5.021 5.747 562 HA LEU 79 HA LEU 79 5.790 4.230 8.160 563 HB2 LEU 79 HB2 LEU 79 5.114 3.596 5.820 564 HB3 LEU 79 HB3 LEU 79 6.494 2.531 5.756 565 HG LEU 79 HG LEU 79 4.135 1.556 6.194 566 HD11 LEU 79 HD11 LEU 79 6.124 0.204 6.261 567 HD12 LEU 79 HD12 LEU 79 5.030 -0.248 7.567 568 HD13 LEU 79 HD13 LEU 79 6.460 0.729 7.911 569 HD21 LEU 79 HD21 LEU 79 3.565 1.326 8.593 570 HD22 LEU 79 HD22 LEU 79 3.418 2.977 7.990 571 HD23 LEU 79 HD23 LEU 79 4.812 2.520 8.972 572 H VAL 80 H VAL 80 8.870 3.317 6.631 573 HA VAL 80 HA VAL 80 9.479 1.305 8.554 574 HB VAL 80 HB VAL 80 11.415 2.729 6.707 575 HG11 VAL 80 HG11 VAL 80 11.672 0.072 8.123 576 HG12 VAL 80 HG12 VAL 80 12.574 1.540 8.499 577 HG13 VAL 80 HG13 VAL 80 12.815 0.730 6.951 578 HG21 VAL 80 HG21 VAL 80 11.114 0.814 5.218 579 HG22 VAL 80 HG22 VAL 80 9.597 1.678 5.467 580 HG23 VAL 80 HG23 VAL 80 9.893 0.154 6.306 581 H GLU 81 H GLU 81 10.201 4.796 8.432 582 HA GLU 81 HA GLU 81 11.961 4.658 10.691 583 HB2 GLU 81 HB2 GLU 81 11.857 7.091 10.766 584 HB3 GLU 81 HB3 GLU 81 12.149 6.525 9.128 585 HG2 GLU 81 HG2 GLU 81 9.890 6.985 8.499 586 HG3 GLU 81 HG3 GLU 81 9.453 7.330 10.171 587 H LYS 82 H LYS 82 8.501 4.933 10.320 588 HA LYS 82 HA LYS 82 8.080 5.818 13.040 589 HB2 LYS 82 HB2 LYS 82 6.280 5.173 10.725 590 HB3 LYS 82 HB3 LYS 82 5.605 5.337 12.341 591 HG2 LYS 82 HG2 LYS 82 7.234 7.438 10.917 592 HG3 LYS 82 HG3 LYS 82 5.471 7.421 11.034 593 HD2 LYS 82 HD2 LYS 82 5.561 7.666 13.399 594 HD3 LYS 82 HD3 LYS 82 7.306 7.412 13.409 595 HE2 LYS 82 HE2 LYS 82 5.967 9.721 12.019 596 HE3 LYS 82 HE3 LYS 82 6.567 9.800 13.676 597 HZ1 LYS 82 HZ1 LYS 82 8.781 9.350 12.895 598 HZ2 LYS 82 HZ2 LYS 82 8.160 10.670 12.037 599 HZ3 LYS 82 HZ3 LYS 82 8.238 9.148 11.305 600 H GLN 83 H GLN 83 7.957 2.805 11.268 601 HA GLN 83 HA GLN 83 7.787 0.623 11.852 602 HB2 GLN 83 HB2 GLN 83 8.253 1.687 14.638 603 HB3 GLN 83 HB3 GLN 83 8.100 -0.023 14.272 604 HG2 GLN 83 HG2 GLN 83 10.168 1.772 13.046 605 HG3 GLN 83 HG3 GLN 83 10.428 0.798 14.495 606 HE21 GLN 83 HE21 GLN 83 10.080 0.802 11.083 607 HE22 GLN 83 HE22 GLN 83 10.536 -0.851 10.831 608 H ASP 84 H ASP 84 5.407 2.550 11.987 609 HA ASP 84 HA ASP 84 3.589 0.764 13.403 610 HB2 ASP 84 HB2 ASP 84 4.391 2.702 14.878 611 HB3 ASP 84 HB3 ASP 84 3.461 3.749 13.813 612 HA PRO 85 HA PRO 85 1.545 1.528 9.488 613 HB2 PRO 85 HB2 PRO 85 -0.431 -0.252 9.800 614 HB3 PRO 85 HB3 PRO 85 1.243 -0.748 9.524 615 HG2 PRO 85 HG2 PRO 85 -0.259 -0.556 12.117 616 HG3 PRO 85 HG3 PRO 85 0.721 -1.902 11.494 617 HD2 PRO 85 HD2 PRO 85 1.721 -0.131 13.253 618 HD3 PRO 85 HD3 PRO 85 2.717 -0.838 11.962 619 H THR 86 H THR 86 0.346 2.538 12.502 620 HA THR 86 HA THR 86 -1.958 3.765 11.155 621 HB THR 86 HB THR 86 -2.812 1.882 12.472 622 HG1 THR 86 HG1 THR 86 -3.834 3.810 14.089 623 HG21 THR 86 HG21 THR 86 -1.150 1.754 14.226 624 HG22 THR 86 HG22 THR 86 -2.771 1.895 14.911 625 HG23 THR 86 HG23 THR 86 -1.700 3.296 14.881 626 H ASP 87 H ASP 87 0.897 4.366 12.582 627 HA ASP 87 HA ASP 87 0.107 6.712 14.092 628 HB2 ASP 87 HB2 ASP 87 2.043 5.268 14.793 629 HB3 ASP 87 HB3 ASP 87 2.910 5.836 13.368 630 H ILE 88 H ILE 88 -0.822 8.079 12.706 631 HA ILE 88 HA ILE 88 0.762 9.684 10.989 632 HB ILE 88 HB ILE 88 0.532 7.689 9.532 633 HG12 ILE 88 HG12 ILE 88 -0.414 8.805 7.511 634 HG13 ILE 88 HG13 ILE 88 -0.996 10.106 8.540 635 HG21 ILE 88 HG21 ILE 88 -2.433 8.208 9.687 636 HG22 ILE 88 HG22 ILE 88 -1.571 6.804 10.319 637 HG23 ILE 88 HG23 ILE 88 -1.652 7.079 8.578 638 HD11 ILE 88 HD11 ILE 88 1.878 9.346 8.091 639 HD12 ILE 88 HD12 ILE 88 1.312 10.642 9.146 640 HD13 ILE 88 HD13 ILE 88 1.040 10.740 7.407 641 H LYS 89 H LYS 89 -0.376 11.546 10.324 642 HA LYS 89 HA LYS 89 -3.222 11.737 10.922 643 HB2 LYS 89 HB2 LYS 89 -2.032 12.526 12.928 644 HB3 LYS 89 HB3 LYS 89 -1.123 13.667 11.952 645 HG2 LYS 89 HG2 LYS 89 -3.020 15.009 11.571 646 HG3 LYS 89 HG3 LYS 89 -4.121 13.757 12.148 647 HD2 LYS 89 HD2 LYS 89 -3.831 15.583 13.776 648 HD3 LYS 89 HD3 LYS 89 -3.300 14.029 14.411 649 HE2 LYS 89 HE2 LYS 89 -1.738 15.778 15.037 650 HE3 LYS 89 HE3 LYS 89 -0.968 14.641 13.935 651 HZ1 LYS 89 HZ1 LYS 89 -1.276 16.196 12.134 652 HZ2 LYS 89 HZ2 LYS 89 -0.447 16.951 13.404 653 HZ3 LYS 89 HZ3 LYS 89 -2.092 17.278 13.155 654 H TYR 90 H TYR 90 -4.310 13.112 9.558 655 HA TYR 90 HA TYR 90 -2.705 14.244 7.343 656 HB2 TYR 90 HB2 TYR 90 -5.526 13.153 7.045 657 HB3 TYR 90 HB3 TYR 90 -4.434 13.676 5.775 658 HD1 TYR 90 HD2 TYR 90 -2.489 12.307 5.156 659 HD2 TYR 90 HD1 TYR 90 -5.354 10.951 7.984 660 HE1 TYR 90 HE2 TYR 90 -1.635 10.008 4.913 661 HE2 TYR 90 HE1 TYR 90 -4.511 8.657 7.755 662 HH TYR 90 HH TYR 90 -3.305 7.309 6.155 663 H LYS 91 H LYS 91 -3.605 16.052 6.239 664 HA LYS 91 HA LYS 91 -5.783 17.443 7.600 665 HB2 LYS 91 HB2 LYS 91 -4.330 19.579 6.787 666 HB3 LYS 91 HB3 LYS 91 -4.261 18.920 8.407 667 HG2 LYS 91 HG2 LYS 91 -2.029 19.314 7.788 668 HG3 LYS 91 HG3 LYS 91 -2.244 17.577 7.632 669 HD2 LYS 91 HD2 LYS 91 -0.939 18.396 5.777 670 HD3 LYS 91 HD3 LYS 91 -2.508 17.868 5.180 671 HE2 LYS 91 HE2 LYS 91 -1.902 19.933 4.097 672 HE3 LYS 91 HE3 LYS 91 -3.259 20.234 5.174 673 HZ1 LYS 91 HZ1 LYS 91 -0.412 20.885 5.718 674 HZ2 LYS 91 HZ2 LYS 91 -1.690 21.137 6.800 675 HZ3 LYS 91 HZ3 LYS 91 -1.637 21.987 5.335 676 H ASP 92 H ASP 92 -7.230 16.722 5.900 677 HA ASP 92 HA ASP 92 -7.073 18.058 3.413 678 HB2 ASP 92 HB2 ASP 92 -5.238 16.263 3.282 679 HB3 ASP 92 HB3 ASP 92 -6.540 15.087 3.268 680 H ASN 93 H ASN 93 -8.699 16.801 1.824 681 HA ASN 93 HA ASN 93 -11.028 15.916 3.378 682 HB2 ASN 93 HB2 ASN 93 -10.750 16.837 0.509 683 HB3 ASN 93 HB3 ASN 93 -12.244 16.201 1.185 684 HD21 ASN 93 HD21 ASN 93 -10.037 18.868 1.105 685 HD22 ASN 93 HD22 ASN 93 -11.057 19.998 1.929 686 H ASP 94 H ASP 94 -8.398 14.515 2.050 687 HA ASP 94 HA ASP 94 -9.862 12.087 1.287 688 HB2 ASP 94 HB2 ASP 94 -8.869 13.517 -0.698 689 HB3 ASP 94 HB3 ASP 94 -7.342 12.831 -0.173 690 H GLY 95 H GLY 95 -6.633 13.452 1.969 691 HA2 GLY 95 HA2 GLY 95 -5.822 12.153 4.128 692 HA3 GLY 95 HA3 GLY 95 -5.746 10.858 2.947 693 H HIS 96 H HIS 96 -4.876 14.303 2.676 694 HA HIS 96 HA HIS 96 -2.163 13.464 1.921 695 HB2 HIS 96 HB2 HIS 96 -3.589 16.121 1.627 696 HB3 HIS 96 HB3 HIS 96 -1.876 15.907 1.296 697 HD1 HIS 96 HD1 HIS 96 -4.522 16.527 -0.646 698 HD2 HIS 96 HD2 HIS 96 -2.070 13.172 -0.539 699 HE1 HIS 96 HE1 HIS 96 -4.794 15.427 -2.885 700 HE2 HIS 96 HE2 HIS 96 -3.214 13.470 -2.844 701 H THR 97 H THR 97 -0.369 14.332 2.937 702 HA THR 97 HA THR 97 -0.813 15.600 5.533 703 HB THR 97 HB THR 97 -0.846 13.249 6.097 704 HG1 THR 97 HG1 THR 97 0.321 13.708 7.768 705 HG21 THR 97 HG21 THR 97 1.024 11.733 5.667 706 HG22 THR 97 HG22 THR 97 1.847 12.993 4.745 707 HG23 THR 97 HG23 THR 97 0.327 12.321 4.155 708 H ASP 98 H ASP 98 1.023 16.672 6.373 709 HA ASP 98 HA ASP 98 2.910 17.482 4.284 710 HB2 ASP 98 HB2 ASP 98 1.595 19.220 5.545 711 HB3 ASP 98 HB3 ASP 98 2.448 18.738 7.007 712 H ALA 99 H ALA 99 2.678 15.382 6.863 713 HA ALA 99 HA ALA 99 5.359 15.475 7.853 714 HB1 ALA 99 HB1 ALA 99 4.773 13.399 9.003 715 HB2 ALA 99 HB2 ALA 99 3.270 13.312 8.084 716 HB3 ALA 99 HB3 ALA 99 3.530 14.632 9.225 717 H ILE 100 H ILE 100 3.859 14.131 5.061 718 HA ILE 100 HA ILE 100 6.380 12.768 4.419 719 HB ILE 100 HB ILE 100 3.687 12.063 3.217 720 HG12 ILE 100 HG12 ILE 100 5.283 10.548 5.306 721 HG13 ILE 100 HG13 ILE 100 3.804 11.444 5.625 722 HG21 ILE 100 HG21 ILE 100 4.901 10.120 2.317 723 HG22 ILE 100 HG22 ILE 100 6.391 10.723 3.042 724 HG23 ILE 100 HG23 ILE 100 5.599 11.642 1.761 725 HD11 ILE 100 HD11 ILE 100 4.052 9.037 3.846 726 HD12 ILE 100 HD12 ILE 100 2.566 9.925 4.192 727 HD13 ILE 100 HD13 ILE 100 3.399 9.058 5.485 728 H SER 101 H SER 101 7.359 14.432 3.444 729 HA SER 101 HA SER 101 6.158 16.061 1.427 730 HB2 SER 101 HB2 SER 101 9.078 15.584 2.068 731 HB3 SER 101 HB3 SER 101 8.443 16.892 1.065 732 HG SER 101 HG SER 101 7.112 17.320 3.082 733 H GLY 102 H GLY 102 5.920 15.641 -0.682 734 HA2 GLY 102 HA2 GLY 102 6.879 14.852 -2.759 735 HA3 GLY 102 HA3 GLY 102 7.552 13.491 -1.880 736 H ALA 103 H ALA 103 4.733 13.520 -0.491 737 HA ALA 103 HA ALA 103 3.607 11.545 -2.267 738 HB1 ALA 103 HB1 ALA 103 2.628 12.540 0.401 739 HB2 ALA 103 HB2 ALA 103 3.676 11.147 0.136 740 HB3 ALA 103 HB3 ALA 103 2.020 11.131 -0.469 741 H THR 104 H THR 104 2.725 12.433 -4.017 742 HA THR 104 HA THR 104 0.958 14.710 -3.917 743 HB THR 104 HB THR 104 1.297 12.859 -6.275 744 HG1 THR 104 HG1 THR 104 3.074 14.930 -5.412 745 HG21 THR 104 HG21 THR 104 -0.360 14.659 -6.474 746 HG22 THR 104 HG22 THR 104 1.003 14.923 -7.563 747 HG23 THR 104 HG23 THR 104 0.879 15.847 -6.065 748 H ILE 105 H ILE 105 0.681 11.206 -4.220 749 HA ILE 105 HA ILE 105 -2.215 11.347 -4.436 750 HB ILE 105 HB ILE 105 -0.932 9.802 -5.869 751 HG12 ILE 105 HG12 ILE 105 -3.346 9.310 -4.939 752 HG13 ILE 105 HG13 ILE 105 -2.511 8.159 -5.962 753 HG21 ILE 105 HG21 ILE 105 0.052 7.748 -4.985 754 HG22 ILE 105 HG22 ILE 105 -0.192 8.363 -3.350 755 HG23 ILE 105 HG23 ILE 105 0.881 9.215 -4.462 756 HD11 ILE 105 HD11 ILE 105 -1.932 6.836 -3.984 757 HD12 ILE 105 HD12 ILE 105 -3.675 7.059 -4.148 758 HD13 ILE 105 HD13 ILE 105 -2.772 8.005 -2.963 759 H LYS 106 H LYS 106 -3.617 10.536 -2.885 760 HA LYS 106 HA LYS 106 -3.041 11.188 -0.255 761 HB2 LYS 106 HB2 LYS 106 -5.219 10.194 0.332 762 HB3 LYS 106 HB3 LYS 106 -5.293 11.289 -1.035 763 HG2 LYS 106 HG2 LYS 106 -5.069 8.350 -1.523 764 HG3 LYS 106 HG3 LYS 106 -6.618 9.041 -1.042 765 HD2 LYS 106 HD2 LYS 106 -6.362 10.661 -2.953 766 HD3 LYS 106 HD3 LYS 106 -4.985 9.695 -3.489 767 HE2 LYS 106 HE2 LYS 106 -6.972 9.032 -4.699 768 HE3 LYS 106 HE3 LYS 106 -6.472 7.724 -3.625 769 HZ1 LYS 106 HZ1 LYS 106 -8.598 9.708 -3.000 770 HZ2 LYS 106 HZ2 LYS 106 -8.160 8.372 -2.057 771 HZ3 LYS 106 HZ3 LYS 106 -8.885 8.136 -3.567 772 H VAL 107 H VAL 107 -2.284 10.282 1.400 773 HA VAL 107 HA VAL 107 -1.036 7.678 1.249 774 HB VAL 107 HB VAL 107 -0.970 9.812 3.413 775 HG11 VAL 107 HG11 VAL 107 -0.282 7.660 4.297 776 HG12 VAL 107 HG12 VAL 107 1.096 8.756 4.169 777 HG13 VAL 107 HG13 VAL 107 0.871 7.475 2.977 778 HG21 VAL 107 HG21 VAL 107 -0.097 10.631 1.296 779 HG22 VAL 107 HG22 VAL 107 0.987 9.240 1.205 780 HG23 VAL 107 HG23 VAL 107 1.193 10.437 2.485 781 H LYS 108 H LYS 108 -4.010 8.859 2.304 782 HA LYS 108 HA LYS 108 -4.497 7.528 4.707 783 HB2 LYS 108 HB2 LYS 108 -5.950 9.157 2.961 784 HB3 LYS 108 HB3 LYS 108 -6.881 7.669 3.069 785 HG2 LYS 108 HG2 LYS 108 -5.935 9.234 5.464 786 HG3 LYS 108 HG3 LYS 108 -7.512 9.445 4.709 787 HD2 LYS 108 HD2 LYS 108 -6.537 6.799 5.775 788 HD3 LYS 108 HD3 LYS 108 -7.451 7.953 6.749 789 HE2 LYS 108 HE2 LYS 108 -9.289 7.846 5.123 790 HE3 LYS 108 HE3 LYS 108 -8.371 6.682 4.171 791 HZ1 LYS 108 HZ1 LYS 108 -10.069 5.682 5.623 792 HZ2 LYS 108 HZ2 LYS 108 -9.213 6.235 6.977 793 HZ3 LYS 108 HZ3 LYS 108 -8.505 5.105 5.930 794 H LYS 109 H LYS 109 -4.679 6.326 1.397 795 HA LYS 109 HA LYS 109 -5.983 3.882 2.064 796 HB2 LYS 109 HB2 LYS 109 -5.863 5.082 -0.205 797 HB3 LYS 109 HB3 LYS 109 -4.268 4.364 -0.359 798 HG2 LYS 109 HG2 LYS 109 -5.509 2.814 -1.472 799 HG3 LYS 109 HG3 LYS 109 -5.556 2.143 0.150 800 HD2 LYS 109 HD2 LYS 109 -7.721 3.924 -0.941 801 HD3 LYS 109 HD3 LYS 109 -7.739 2.172 -1.120 802 HE2 LYS 109 HE2 LYS 109 -7.676 1.954 1.336 803 HE3 LYS 109 HE3 LYS 109 -7.734 3.711 1.475 804 HZ1 LYS 109 HZ1 LYS 109 -9.871 3.655 0.285 805 HZ2 LYS 109 HZ2 LYS 109 -9.920 2.810 1.754 806 HZ3 LYS 109 HZ3 LYS 109 -9.819 1.958 0.292 807 H PHE 110 H PHE 110 -2.608 4.882 1.731 808 HA PHE 110 HA PHE 110 -1.348 2.386 1.772 809 HB2 PHE 110 HB2 PHE 110 -0.130 4.401 1.178 810 HB3 PHE 110 HB3 PHE 110 -0.381 5.074 2.784 811 HD1 PHE 110 HD1 PHE 110 1.337 2.346 0.948 812 HD2 PHE 110 HD2 PHE 110 1.119 4.670 4.503 813 HE1 PHE 110 HE1 PHE 110 3.457 1.359 1.725 814 HE2 PHE 110 HE2 PHE 110 3.224 3.684 5.286 815 HZ PHE 110 HZ PHE 110 4.389 2.025 3.911 816 H PHE 111 H PHE 111 -1.874 4.610 4.520 817 HA PHE 111 HA PHE 111 -0.867 2.751 6.422 818 HB2 PHE 111 HB2 PHE 111 -2.221 5.404 6.613 819 HB3 PHE 111 HB3 PHE 111 -2.043 4.421 8.063 820 HD1 PHE 111 HD1 PHE 111 0.205 3.876 8.918 821 HD2 PHE 111 HD2 PHE 111 -0.335 6.505 5.622 822 HE1 PHE 111 HE1 PHE 111 2.492 4.722 9.223 823 HE2 PHE 111 HE2 PHE 111 1.953 7.356 5.921 824 HZ PHE 111 HZ PHE 111 3.371 6.461 7.725 825 H ASP 112 H ASP 112 -4.032 3.339 5.131 826 HA ASP 112 HA ASP 112 -5.681 2.103 7.047 827 HB2 ASP 112 HB2 ASP 112 -6.162 3.356 4.735 828 HB3 ASP 112 HB3 ASP 112 -6.211 1.712 4.143 829 H LEU 113 H LEU 113 -4.097 0.862 4.172 830 HA LEU 113 HA LEU 113 -4.963 -1.828 4.609 831 HB2 LEU 113 HB2 LEU 113 -3.547 -0.329 2.489 832 HB3 LEU 113 HB3 LEU 113 -3.265 -2.048 2.568 833 HG LEU 113 HG LEU 113 -5.010 -1.704 0.981 834 HD11 LEU 113 HD11 LEU 113 -6.866 -2.927 2.008 835 HD12 LEU 113 HD12 LEU 113 -6.187 -2.609 3.605 836 HD13 LEU 113 HD13 LEU 113 -5.303 -3.611 2.454 837 HD21 LEU 113 HD21 LEU 113 -5.725 0.529 1.622 838 HD22 LEU 113 HD22 LEU 113 -6.457 -0.112 3.095 839 HD23 LEU 113 HD23 LEU 113 -7.105 -0.565 1.518 840 H ALA 114 H ALA 114 -2.087 0.009 5.286 841 HA ALA 114 HA ALA 114 -0.330 -2.099 5.855 842 HB1 ALA 114 HB1 ALA 114 0.886 -0.488 7.208 843 HB2 ALA 114 HB2 ALA 114 -0.508 0.594 7.183 844 HB3 ALA 114 HB3 ALA 114 0.359 0.236 5.688 845 H GLN 115 H GLN 115 -2.960 -0.718 7.703 846 HA GLN 115 HA GLN 115 -2.435 -2.060 10.172 847 HB2 GLN 115 HB2 GLN 115 -4.870 -0.738 9.010 848 HB3 GLN 115 HB3 GLN 115 -4.911 -1.530 10.579 849 HG2 GLN 115 HG2 GLN 115 -3.355 -0.004 11.485 850 HG3 GLN 115 HG3 GLN 115 -2.958 0.643 9.895 851 HE21 GLN 115 HE21 GLN 115 -4.280 2.112 8.948 852 HE22 GLN 115 HE22 GLN 115 -5.579 2.901 9.782 853 H LYS 116 H LYS 116 -4.336 -2.820 7.290 854 HA LYS 116 HA LYS 116 -5.514 -5.192 8.322 855 HB2 LYS 116 HB2 LYS 116 -5.210 -4.076 5.559 856 HB3 LYS 116 HB3 LYS 116 -5.946 -5.643 5.857 857 HG2 LYS 116 HG2 LYS 116 -7.583 -4.519 7.346 858 HG3 LYS 116 HG3 LYS 116 -6.902 -2.969 6.833 859 HD2 LYS 116 HD2 LYS 116 -8.829 -3.445 5.495 860 HD3 LYS 116 HD3 LYS 116 -7.396 -3.588 4.485 861 HE2 LYS 116 HE2 LYS 116 -7.464 -6.061 4.862 862 HE3 LYS 116 HE3 LYS 116 -9.004 -5.844 5.691 863 HZ1 LYS 116 HZ1 LYS 116 -9.936 -4.935 3.659 864 HZ2 LYS 116 HZ2 LYS 116 -9.308 -6.483 3.376 865 HZ3 LYS 116 HZ3 LYS 116 -8.450 -5.117 2.862 866 H ALA 117 H ALA 117 -2.450 -4.496 6.856 867 HA ALA 117 HA ALA 117 -1.796 -7.127 6.062 868 HB1 ALA 117 HB1 ALA 117 0.511 -6.355 6.025 869 HB2 ALA 117 HB2 ALA 117 0.042 -4.898 6.902 870 HB3 ALA 117 HB3 ALA 117 -0.565 -5.178 5.269 871 H LEU 118 H LEU 118 -1.534 -5.415 9.138 872 HA LEU 118 HA LEU 118 -0.278 -7.806 10.324 873 HB2 LEU 118 HB2 LEU 118 -0.325 -4.951 11.292 874 HB3 LEU 118 HB3 LEU 118 0.529 -6.280 12.059 875 HG LEU 118 HG LEU 118 1.170 -5.809 9.225 876 HD11 LEU 118 HD11 LEU 118 2.611 -3.936 9.726 877 HD12 LEU 118 HD12 LEU 118 2.032 -3.923 11.394 878 HD13 LEU 118 HD13 LEU 118 0.921 -3.553 10.071 879 HD21 LEU 118 HD21 LEU 118 2.273 -7.525 10.550 880 HD22 LEU 118 HD22 LEU 118 2.805 -6.301 11.705 881 HD23 LEU 118 HD23 LEU 118 3.414 -6.277 10.049 882 H LYS 119 H LYS 119 -3.218 -7.218 9.870 883 HA LYS 119 HA LYS 119 -4.456 -6.440 12.267 884 HB2 LYS 119 HB2 LYS 119 -6.568 -7.240 11.243 885 HB3 LYS 119 HB3 LYS 119 -5.612 -6.201 10.201 886 HG2 LYS 119 HG2 LYS 119 -6.179 -7.740 8.660 887 HG3 LYS 119 HG3 LYS 119 -4.758 -8.570 9.288 888 HD2 LYS 119 HD2 LYS 119 -6.619 -10.107 9.038 889 HD3 LYS 119 HD3 LYS 119 -6.203 -9.912 10.740 890 HE2 LYS 119 HE2 LYS 119 -8.068 -8.363 11.023 891 HE3 LYS 119 HE3 LYS 119 -8.475 -8.529 9.314 892 HZ1 LYS 119 HZ1 LYS 119 -8.996 -10.822 9.647 893 HZ2 LYS 119 HZ2 LYS 119 -9.842 -9.924 10.810 894 HZ3 LYS 119 HZ3 LYS 119 -8.445 -10.780 11.249 895 H ASP 120 H ASP 120 -3.789 -9.722 11.093 896 HA ASP 120 HA ASP 120 -4.467 -10.697 13.783 897 HB2 ASP 120 HB2 ASP 120 -4.511 -11.960 11.114 898 HB3 ASP 120 HB3 ASP 120 -3.912 -12.970 12.425 899 H ALA 121 H ALA 121 -1.929 -9.791 11.855 900 HA ALA 121 HA ALA 121 0.267 -10.155 11.597 901 HB1 ALA 121 HB1 ALA 121 1.597 -10.256 13.591 902 HB2 ALA 121 HB2 ALA 121 0.195 -10.771 14.534 903 HB3 ALA 121 HB3 ALA 121 0.233 -9.161 13.813 904 H GLU 122 H GLU 122 -1.552 -12.594 11.449 905 HA GLU 122 HA GLU 122 0.678 -14.438 11.018 906 HB2 GLU 122 HB2 GLU 122 -2.036 -15.201 12.129 907 HB3 GLU 122 HB3 GLU 122 -0.826 -16.345 11.572 908 HG2 GLU 122 HG2 GLU 122 0.696 -15.563 13.333 909 HG3 GLU 122 HG3 GLU 122 -0.562 -14.459 13.895 910 H LYS 123 H LYS 123 0.696 -13.866 8.864 911 HA LYS 123 HA LYS 123 -1.639 -14.739 7.309 912 HB2 LYS 123 HB2 LYS 123 0.076 -12.308 6.678 913 HB3 LYS 123 HB3 LYS 123 -1.260 -12.901 5.697 914 HG2 LYS 123 HG2 LYS 123 -2.720 -12.549 7.752 915 HG3 LYS 123 HG3 LYS 123 -1.366 -11.660 8.434 916 HD2 LYS 123 HD2 LYS 123 -2.746 -10.014 7.530 917 HD3 LYS 123 HD3 LYS 123 -1.484 -10.230 6.312 918 HE2 LYS 123 HE2 LYS 123 -2.948 -11.573 4.960 919 HE3 LYS 123 HE3 LYS 123 -4.176 -11.578 6.227 920 HZ1 LYS 123 HZ1 LYS 123 -4.362 -9.157 5.960 921 HZ2 LYS 123 HZ2 LYS 123 -4.749 -9.995 4.537 922 HZ3 LYS 123 HZ3 LYS 123 -3.249 -9.221 4.682 923 H LEU 124 H LEU 124 -0.296 -14.330 4.754 924 HA LEU 124 HA LEU 124 1.017 -16.811 4.537 925 HB2 LEU 124 HB2 LEU 124 0.540 -14.530 2.711 926 HB3 LEU 124 HB3 LEU 124 1.861 -15.596 2.287 927 HG LEU 124 HG LEU 124 0.189 -17.508 2.445 928 HD11 LEU 124 HD11 LEU 124 -1.783 -15.234 2.326 929 HD12 LEU 124 HD12 LEU 124 -1.555 -16.335 3.684 930 HD13 LEU 124 HD13 LEU 124 -2.159 -16.948 2.144 931 HD21 LEU 124 HD21 LEU 124 -0.146 -15.391 0.325 932 HD22 LEU 124 HD22 LEU 124 -0.685 -17.064 0.186 933 HD23 LEU 124 HD23 LEU 124 1.035 -16.702 0.331 934 H GLU 125 H GLU 125 3.106 -17.426 4.256 935 HA GLU 125 HA GLU 125 5.072 -15.607 5.363 936 HB2 GLU 125 HB2 GLU 125 6.520 -17.549 5.687 937 HB3 GLU 125 HB3 GLU 125 4.953 -17.801 6.413 938 HG2 GLU 125 HG2 GLU 125 5.790 -18.997 3.773 939 HG3 GLU 125 HG3 GLU 125 5.993 -19.800 5.326 940 H HIS 126 H HIS 126 5.300 -14.236 3.670 941 HA HIS 126 HA HIS 126 6.372 -15.187 1.142 942 HB2 HIS 126 HB2 HIS 126 4.727 -13.320 1.253 943 HB3 HIS 126 HB3 HIS 126 5.884 -12.364 2.160 944 HD1 HIS 126 HD1 HIS 126 7.916 -11.388 0.813 945 HD2 HIS 126 HD2 HIS 126 5.061 -13.336 -1.496 946 HE1 HIS 126 HE1 HIS 126 8.361 -10.662 -1.557 947 HE2 HIS 126 HE2 HIS 126 6.632 -11.871 -2.943 948 H HIS 127 H HIS 127 8.512 -15.087 0.544 949 HA HIS 127 HA HIS 127 10.350 -14.010 2.560 950 HB2 HIS 127 HB2 HIS 127 12.084 -15.488 1.796 951 HB3 HIS 127 HB3 HIS 127 10.645 -16.440 2.111 952 HD1 HIS 127 HD1 HIS 127 13.020 -15.454 -0.569 953 HD2 HIS 127 HD2 HIS 127 9.487 -17.608 -0.203 954 HE1 HIS 127 HE1 HIS 127 12.809 -16.771 -2.699 955 HE2 HIS 127 HE2 HIS 127 10.695 -18.110 -2.440 956 H HIS 128 H HIS 128 11.962 -12.658 2.025 957 HA HIS 128 HA HIS 128 12.399 -11.665 -0.642 958 HB2 HIS 128 HB2 HIS 128 10.268 -10.563 -0.091 959 HB3 HIS 128 HB3 HIS 128 10.920 -9.998 1.434 960 HD1 HIS 128 HD1 HIS 128 11.951 -7.750 1.451 961 HD2 HIS 128 HD2 HIS 128 11.347 -9.180 -2.401 962 HE1 HIS 128 HE1 HIS 128 12.379 -5.795 -0.072 963 HE2 HIS 128 HE2 HIS 128 11.794 -6.629 -2.377 964 H HIS 129 H HIS 129 14.357 -10.415 -0.647 965 HA HIS 129 HA HIS 129 16.041 -11.188 1.539 966 HB2 HIS 129 HB2 HIS 129 16.603 -9.796 -1.061 967 HB3 HIS 129 HB3 HIS 129 17.848 -9.997 0.164 968 HD1 HIS 129 HD1 HIS 129 18.860 -12.325 0.452 969 HD2 HIS 129 HD2 HIS 129 15.793 -12.174 -2.356 970 HE1 HIS 129 HE1 HIS 129 18.939 -14.530 -0.754 971 HE2 HIS 129 HE2 HIS 129 16.953 -14.491 -2.297 972 H HIS 130 H HIS 130 15.565 -7.940 0.057 973 HA HIS 130 HA HIS 130 15.508 -6.691 2.635 974 HB2 HIS 130 HB2 HIS 130 17.583 -5.430 2.518 975 HB3 HIS 130 HB3 HIS 130 17.938 -7.145 2.462 976 HD1 HIS 130 HD1 HIS 130 19.422 -4.376 1.265 977 HD2 HIS 130 HD2 HIS 130 17.893 -7.667 -0.759 978 HE1 HIS 130 HE1 HIS 130 20.624 -4.430 -0.941 979 HE2 HIS 130 HE2 HIS 130 19.522 -6.284 -2.223 980 H HIS 131 H HIS 131 15.312 -4.377 2.540 981 HA HIS 131 HA HIS 131 13.924 -3.494 0.132 982 HB2 HIS 131 HB2 HIS 131 13.035 -3.180 2.462 983 HB3 HIS 131 HB3 HIS 131 14.349 -2.053 2.755 984 HD1 HIS 131 HD1 HIS 131 13.208 0.101 2.973 985 HD2 HIS 131 HD2 HIS 131 11.834 -2.016 -0.335 986 HE1 HIS 131 HE1 HIS 131 11.581 1.624 1.823 987 HE2 HIS 131 HE2 HIS 131 10.861 0.394 -0.244 Start of MODEL 20 1 H1 MET 1 H1 MET 1 4.754 -8.344 17.568 2 H2 MET 1 H2 MET 1 3.786 -9.624 17.036 3 H3 MET 1 H3 MET 1 3.219 -8.032 16.922 4 HA MET 1 HA MET 1 3.905 -8.816 14.774 5 HB2 MET 1 HB2 MET 1 5.669 -6.735 16.058 6 HB3 MET 1 HB3 MET 1 5.747 -7.097 14.342 7 HG2 MET 1 HG2 MET 1 3.497 -6.370 14.016 8 HG3 MET 1 HG3 MET 1 3.240 -6.221 15.754 9 HE1 MET 1 HE1 MET 1 5.263 -4.805 12.671 10 HE2 MET 1 HE2 MET 1 6.520 -5.138 13.862 11 HE3 MET 1 HE3 MET 1 6.140 -3.473 13.425 12 H LYS 2 H LYS 2 4.740 -10.683 14.217 13 HA LYS 2 HA LYS 2 7.431 -11.405 15.106 14 HB2 LYS 2 HB2 LYS 2 5.026 -12.901 14.324 15 HB3 LYS 2 HB3 LYS 2 6.520 -13.549 13.670 16 HG2 LYS 2 HG2 LYS 2 6.229 -12.944 16.591 17 HG3 LYS 2 HG3 LYS 2 5.657 -14.464 15.904 18 HD2 LYS 2 HD2 LYS 2 7.791 -15.029 16.594 19 HD3 LYS 2 HD3 LYS 2 8.062 -14.611 14.905 20 HE2 LYS 2 HE2 LYS 2 8.731 -12.324 15.660 21 HE3 LYS 2 HE3 LYS 2 8.612 -12.894 17.324 22 HZ1 LYS 2 HZ1 LYS 2 10.881 -13.000 16.561 23 HZ2 LYS 2 HZ2 LYS 2 10.436 -13.946 15.230 24 HZ3 LYS 2 HZ3 LYS 2 10.296 -14.572 16.798 25 H ASP 3 H ASP 3 8.828 -12.500 13.452 26 HA ASP 3 HA ASP 3 9.103 -10.825 11.182 27 HB2 ASP 3 HB2 ASP 3 10.982 -12.332 10.549 28 HB3 ASP 3 HB3 ASP 3 11.110 -11.670 12.170 29 H GLY 4 H GLY 4 7.906 -10.877 9.504 30 HA2 GLY 4 HA2 GLY 4 7.502 -13.127 7.865 31 HA3 GLY 4 HA3 GLY 4 6.068 -12.867 8.850 32 H THR 5 H THR 5 5.452 -12.681 6.414 33 HA THR 5 HA THR 5 5.778 -9.879 5.600 34 HB THR 5 HB THR 5 5.153 -12.154 3.710 35 HG1 THR 5 HG1 THR 5 7.537 -11.506 4.916 36 HG21 THR 5 HG21 THR 5 6.037 -10.595 2.035 37 HG22 THR 5 HG22 THR 5 6.289 -9.390 3.298 38 HG23 THR 5 HG23 THR 5 4.654 -9.916 2.892 39 H TYR 6 H TYR 6 4.008 -8.721 5.729 40 HA TYR 6 HA TYR 6 1.384 -10.073 5.882 41 HB2 TYR 6 HB2 TYR 6 2.084 -7.215 6.642 42 HB3 TYR 6 HB3 TYR 6 0.618 -8.097 7.059 43 HD1 TYR 6 HD1 TYR 6 0.856 -10.131 8.573 44 HD2 TYR 6 HD2 TYR 6 3.897 -7.217 8.091 45 HE1 TYR 6 HE1 TYR 6 1.882 -10.860 10.671 46 HE2 TYR 6 HE2 TYR 6 4.930 -7.944 10.192 47 HH TYR 6 HH TYR 6 4.259 -10.763 11.701 48 H TYR 7 H TYR 7 -0.244 -9.481 4.603 49 HA TYR 7 HA TYR 7 0.208 -7.357 2.684 50 HB2 TYR 7 HB2 TYR 7 0.773 -8.872 1.097 51 HB3 TYR 7 HB3 TYR 7 0.276 -10.222 2.094 52 HD1 TYR 7 HD2 TYR 7 -1.938 -11.133 1.927 53 HD2 TYR 7 HD1 TYR 7 -0.679 -7.963 -0.607 54 HE1 TYR 7 HE2 TYR 7 -3.839 -11.593 0.402 55 HE2 TYR 7 HE1 TYR 7 -2.555 -8.409 -2.132 56 HH TYR 7 HH TYR 7 -5.192 -10.236 -1.329 57 H ALA 8 H ALA 8 -1.669 -6.273 2.161 58 HA ALA 8 HA ALA 8 -4.222 -7.519 2.868 59 HB1 ALA 8 HB1 ALA 8 -3.621 -6.077 4.745 60 HB2 ALA 8 HB2 ALA 8 -5.017 -5.446 3.869 61 HB3 ALA 8 HB3 ALA 8 -3.428 -4.718 3.639 62 H GLU 9 H GLU 9 -5.849 -7.017 1.476 63 HA GLU 9 HA GLU 9 -5.101 -5.271 -0.772 64 HB2 GLU 9 HB2 GLU 9 -6.401 -6.651 -2.227 65 HB3 GLU 9 HB3 GLU 9 -5.374 -7.720 -1.286 66 HG2 GLU 9 HG2 GLU 9 -7.350 -8.110 0.216 67 HG3 GLU 9 HG3 GLU 9 -8.315 -7.230 -0.968 68 H ALA 10 H ALA 10 -6.620 -3.851 -1.565 69 HA ALA 10 HA ALA 10 -8.177 -2.575 0.397 70 HB1 ALA 10 HB1 ALA 10 -8.182 -2.130 -2.580 71 HB2 ALA 10 HB2 ALA 10 -7.060 -1.400 -1.431 72 HB3 ALA 10 HB3 ALA 10 -8.779 -1.010 -1.355 73 H ASP 11 H ASP 11 -10.445 -1.958 0.195 74 HA ASP 11 HA ASP 11 -12.095 -4.304 -0.267 75 HB2 ASP 11 HB2 ASP 11 -12.336 -2.911 1.787 76 HB3 ASP 11 HB3 ASP 11 -12.859 -1.565 0.786 77 H ASP 12 H ASP 12 -11.305 -1.348 -1.821 78 HA ASP 12 HA ASP 12 -13.414 -1.763 -3.835 79 HB2 ASP 12 HB2 ASP 12 -13.703 0.251 -2.289 80 HB3 ASP 12 HB3 ASP 12 -12.240 0.906 -3.010 81 H PHE 13 H PHE 13 -12.769 -1.142 -6.022 82 HA PHE 13 HA PHE 13 -9.876 -1.283 -6.517 83 HB2 PHE 13 HB2 PHE 13 -12.275 -1.527 -8.345 84 HB3 PHE 13 HB3 PHE 13 -10.624 -1.465 -8.942 85 HD1 PHE 13 HD1 PHE 13 -9.113 -3.342 -8.603 86 HD2 PHE 13 HD2 PHE 13 -13.152 -3.496 -7.273 87 HE1 PHE 13 HE1 PHE 13 -8.942 -5.790 -8.382 88 HE2 PHE 13 HE2 PHE 13 -12.986 -5.939 -7.047 89 HZ PHE 13 HZ PHE 13 -10.883 -7.087 -7.605 90 H ASP 14 H ASP 14 -8.939 0.273 -8.111 91 HA ASP 14 HA ASP 14 -10.128 2.909 -7.909 92 HB2 ASP 14 HB2 ASP 14 -8.057 3.720 -8.381 93 HB3 ASP 14 HB3 ASP 14 -7.509 2.088 -8.066 94 H GLU 15 H GLU 15 -10.095 4.165 -10.144 95 HA GLU 15 HA GLU 15 -12.241 3.197 -11.653 96 HB2 GLU 15 HB2 GLU 15 -10.220 5.324 -12.350 97 HB3 GLU 15 HB3 GLU 15 -11.723 5.047 -13.224 98 HG2 GLU 15 HG2 GLU 15 -12.994 5.527 -11.200 99 HG3 GLU 15 HG3 GLU 15 -11.494 5.819 -10.324 100 H SER 16 H SER 16 -8.759 3.005 -12.306 101 HA SER 16 HA SER 16 -9.189 1.909 -14.956 102 HB2 SER 16 HB2 SER 16 -6.638 2.190 -13.367 103 HB3 SER 16 HB3 SER 16 -6.770 1.849 -15.095 104 HG SER 16 HG SER 16 -7.037 4.228 -13.734 105 H GLY 17 H GLY 17 -9.329 0.567 -11.900 106 HA2 GLY 17 HA2 GLY 17 -10.053 -1.648 -11.586 107 HA3 GLY 17 HA3 GLY 17 -9.328 -2.079 -13.127 108 H TRP 18 H TRP 18 -7.828 -0.426 -10.376 109 HA TRP 18 HA TRP 18 -6.202 -2.831 -9.916 110 HB2 TRP 18 HB2 TRP 18 -5.293 0.044 -9.990 111 HB3 TRP 18 HB3 TRP 18 -4.332 -1.242 -9.264 112 HD1 TRP 18 HD1 TRP 18 -5.213 0.300 -12.596 113 HE1 TRP 18 HE1 TRP 18 -3.948 -0.928 -14.473 114 HE3 TRP 18 HE3 TRP 18 -3.420 -3.669 -9.925 115 HZ2 TRP 18 HZ2 TRP 18 -2.384 -3.261 -14.774 116 HZ3 TRP 18 HZ3 TRP 18 -2.052 -5.344 -11.079 117 HH2 TRP 18 HH2 TRP 18 -1.546 -5.148 -13.450 118 H LYS 19 H LYS 19 -6.299 -3.605 -8.003 119 HA LYS 19 HA LYS 19 -7.460 -2.068 -5.814 120 HB2 LYS 19 HB2 LYS 19 -8.314 -4.345 -6.280 121 HB3 LYS 19 HB3 LYS 19 -6.705 -4.999 -6.000 122 HG2 LYS 19 HG2 LYS 19 -6.806 -4.182 -3.688 123 HG3 LYS 19 HG3 LYS 19 -8.455 -3.631 -3.984 124 HD2 LYS 19 HD2 LYS 19 -7.605 -6.480 -4.402 125 HD3 LYS 19 HD3 LYS 19 -8.182 -5.882 -2.846 126 HE2 LYS 19 HE2 LYS 19 -10.258 -5.121 -4.008 127 HE3 LYS 19 HE3 LYS 19 -9.676 -5.940 -5.457 128 HZ1 LYS 19 HZ1 LYS 19 -9.609 -8.014 -4.153 129 HZ2 LYS 19 HZ2 LYS 19 -11.171 -7.370 -4.286 130 HZ3 LYS 19 HZ3 LYS 19 -10.303 -7.194 -2.844 131 H ASP 20 H ASP 20 -6.161 -1.034 -4.487 132 HA ASP 20 HA ASP 20 -3.333 -1.251 -4.555 133 HB2 ASP 20 HB2 ASP 20 -5.145 0.040 -2.505 134 HB3 ASP 20 HB3 ASP 20 -3.411 0.287 -2.614 135 H THR 21 H THR 21 -2.023 -2.623 -3.473 136 HA THR 21 HA THR 21 -3.079 -3.774 -0.982 137 HB THR 21 HB THR 21 -2.110 -5.910 -1.331 138 HG1 THR 21 HG1 THR 21 -0.659 -4.630 -3.366 139 HG21 THR 21 HG21 THR 21 -3.056 -6.736 -3.437 140 HG22 THR 21 HG22 THR 21 -3.276 -5.072 -3.981 141 HG23 THR 21 HG23 THR 21 -4.174 -5.668 -2.586 142 H VAL 22 H VAL 22 -1.671 -3.917 0.708 143 HA VAL 22 HA VAL 22 0.896 -2.533 0.342 144 HB VAL 22 HB VAL 22 -0.960 -2.407 2.742 145 HG11 VAL 22 HG11 VAL 22 1.722 -1.091 2.332 146 HG12 VAL 22 HG12 VAL 22 1.382 -2.416 3.443 147 HG13 VAL 22 HG13 VAL 22 0.644 -0.835 3.705 148 HG21 VAL 22 HG21 VAL 22 -0.109 -0.273 0.781 149 HG22 VAL 22 HG22 VAL 22 -1.104 -0.009 2.214 150 HG23 VAL 22 HG23 VAL 22 -1.708 -1.007 0.890 151 H THR 23 H THR 23 2.518 -3.845 0.571 152 HA THR 23 HA THR 23 2.228 -6.261 2.197 153 HB THR 23 HB THR 23 4.412 -5.630 0.199 154 HG1 THR 23 HG1 THR 23 3.107 -6.278 -1.354 155 HG21 THR 23 HG21 THR 23 4.734 -8.046 0.171 156 HG22 THR 23 HG22 THR 23 3.424 -8.245 1.333 157 HG23 THR 23 HG23 THR 23 4.906 -7.418 1.811 158 H ILE 24 H ILE 24 3.185 -6.307 4.125 159 HA ILE 24 HA ILE 24 5.218 -4.281 4.745 160 HB ILE 24 HB ILE 24 3.296 -5.682 6.618 161 HG12 ILE 24 HG12 ILE 24 2.236 -4.018 5.108 162 HG13 ILE 24 HG13 ILE 24 2.131 -3.573 6.808 163 HG21 ILE 24 HG21 ILE 24 5.384 -5.169 7.751 164 HG22 ILE 24 HG22 ILE 24 4.087 -4.129 8.340 165 HG23 ILE 24 HG23 ILE 24 5.285 -3.492 7.213 166 HD11 ILE 24 HD11 ILE 24 4.065 -2.436 4.797 167 HD12 ILE 24 HD12 ILE 24 3.955 -1.973 6.496 168 HD13 ILE 24 HD13 ILE 24 2.609 -1.647 5.404 169 H GLU 25 H GLU 25 7.219 -5.093 4.924 170 HA GLU 25 HA GLU 25 7.531 -7.887 5.713 171 HB2 GLU 25 HB2 GLU 25 8.730 -7.327 3.705 172 HB3 GLU 25 HB3 GLU 25 9.494 -5.951 4.484 173 HG2 GLU 25 HG2 GLU 25 10.790 -7.374 5.884 174 HG3 GLU 25 HG3 GLU 25 9.928 -8.809 5.333 175 H VAL 26 H VAL 26 7.699 -8.254 7.748 176 HA VAL 26 HA VAL 26 9.236 -6.419 9.456 177 HB VAL 26 HB VAL 26 7.065 -8.421 10.143 178 HG11 VAL 26 HG11 VAL 26 8.701 -6.797 12.070 179 HG12 VAL 26 HG12 VAL 26 8.772 -8.548 11.873 180 HG13 VAL 26 HG13 VAL 26 7.297 -7.787 12.474 181 HG21 VAL 26 HG21 VAL 26 6.288 -6.280 9.299 182 HG22 VAL 26 HG22 VAL 26 7.260 -5.441 10.511 183 HG23 VAL 26 HG23 VAL 26 5.907 -6.457 11.012 184 H LYS 27 H LYS 27 11.055 -7.136 10.397 185 HA LYS 27 HA LYS 27 11.693 -9.989 10.175 186 HB2 LYS 27 HB2 LYS 27 12.774 -8.738 8.330 187 HB3 LYS 27 HB3 LYS 27 13.582 -7.727 9.513 188 HG2 LYS 27 HG2 LYS 27 14.888 -9.557 10.294 189 HG3 LYS 27 HG3 LYS 27 13.923 -10.703 9.352 190 HD2 LYS 27 HD2 LYS 27 14.645 -9.441 7.294 191 HD3 LYS 27 HD3 LYS 27 15.809 -8.599 8.319 192 HE2 LYS 27 HE2 LYS 27 16.820 -10.501 7.153 193 HE3 LYS 27 HE3 LYS 27 16.851 -10.709 8.904 194 HZ1 LYS 27 HZ1 LYS 27 15.088 -12.256 8.797 195 HZ2 LYS 27 HZ2 LYS 27 16.174 -12.707 7.576 196 HZ3 LYS 27 HZ3 LYS 27 14.749 -11.883 7.185 197 H ASN 28 H ASN 28 12.567 -10.819 11.905 198 HA ASN 28 HA ASN 28 13.244 -11.207 13.994 199 HB2 ASN 28 HB2 ASN 28 13.998 -8.284 14.105 200 HB3 ASN 28 HB3 ASN 28 14.280 -9.433 15.405 201 HD21 ASN 28 HD21 ASN 28 15.322 -8.264 12.356 202 HD22 ASN 28 HD22 ASN 28 16.737 -9.250 12.209 203 H GLY 29 H GLY 29 11.709 -8.066 14.011 204 HA2 GLY 29 HA2 GLY 29 9.240 -8.985 15.019 205 HA3 GLY 29 HA3 GLY 29 10.216 -8.352 16.339 206 H LYS 30 H LYS 30 11.225 -6.649 13.708 207 HA LYS 30 HA LYS 30 9.149 -4.599 14.074 208 HB2 LYS 30 HB2 LYS 30 10.770 -2.861 14.220 209 HB3 LYS 30 HB3 LYS 30 11.211 -4.089 15.393 210 HG2 LYS 30 HG2 LYS 30 12.995 -4.860 13.981 211 HG3 LYS 30 HG3 LYS 30 12.483 -3.777 12.683 212 HD2 LYS 30 HD2 LYS 30 12.881 -1.860 14.231 213 HD3 LYS 30 HD3 LYS 30 13.571 -3.001 15.386 214 HE2 LYS 30 HE2 LYS 30 15.348 -1.946 14.142 215 HE3 LYS 30 HE3 LYS 30 15.249 -3.644 13.691 216 HZ1 LYS 30 HZ1 LYS 30 14.040 -1.433 12.126 217 HZ2 LYS 30 HZ2 LYS 30 14.155 -3.059 11.668 218 HZ3 LYS 30 HZ3 LYS 30 15.552 -2.115 11.796 219 H ILE 31 H ILE 31 8.987 -3.021 12.295 220 HA ILE 31 HA ILE 31 8.986 -4.357 9.775 221 HB ILE 31 HB ILE 31 8.555 -1.397 10.248 222 HG12 ILE 31 HG12 ILE 31 6.478 -3.601 10.219 223 HG13 ILE 31 HG13 ILE 31 7.059 -2.792 11.668 224 HG21 ILE 31 HG21 ILE 31 8.907 -1.976 7.914 225 HG22 ILE 31 HG22 ILE 31 7.226 -1.513 8.184 226 HG23 ILE 31 HG23 ILE 31 7.654 -3.216 8.011 227 HD11 ILE 31 HD11 ILE 31 6.132 -0.689 10.885 228 HD12 ILE 31 HD12 ILE 31 4.890 -1.941 10.943 229 HD13 ILE 31 HD13 ILE 31 5.597 -1.468 9.396 230 H VAL 32 H VAL 32 10.640 -4.560 8.423 231 HA VAL 32 HA VAL 32 12.805 -2.589 8.596 232 HB VAL 32 HB VAL 32 14.253 -4.261 7.477 233 HG11 VAL 32 HG11 VAL 32 14.267 -4.063 9.903 234 HG12 VAL 32 HG12 VAL 32 14.523 -5.737 9.409 235 HG13 VAL 32 HG13 VAL 32 12.948 -5.230 10.017 236 HG21 VAL 32 HG21 VAL 32 11.918 -6.137 7.844 237 HG22 VAL 32 HG22 VAL 32 13.540 -6.598 7.326 238 HG23 VAL 32 HG23 VAL 32 12.548 -5.555 6.304 239 H SER 33 H SER 33 10.306 -3.786 6.547 240 HA SER 33 HA SER 33 11.225 -2.141 4.332 241 HB2 SER 33 HB2 SER 33 10.680 -5.083 3.889 242 HB3 SER 33 HB3 SER 33 11.222 -3.910 2.692 243 HG SER 33 HG SER 33 12.682 -5.453 4.296 244 H VAL 34 H VAL 34 9.623 -2.052 2.595 245 HA VAL 34 HA VAL 34 7.031 -3.249 3.062 246 HB VAL 34 HB VAL 34 6.718 -1.175 4.258 247 HG11 VAL 34 HG11 VAL 34 8.510 0.114 3.364 248 HG12 VAL 34 HG12 VAL 34 7.000 1.009 3.185 249 HG13 VAL 34 HG13 VAL 34 7.713 0.189 1.794 250 HG21 VAL 34 HG21 VAL 34 4.791 -1.854 2.940 251 HG22 VAL 34 HG22 VAL 34 5.402 -0.954 1.552 252 HG23 VAL 34 HG23 VAL 34 4.901 -0.095 3.009 253 H ASP 35 H ASP 35 5.969 -3.649 1.233 254 HA ASP 35 HA ASP 35 7.466 -3.278 -1.273 255 HB2 ASP 35 HB2 ASP 35 7.849 -5.487 -0.203 256 HB3 ASP 35 HB3 ASP 35 6.121 -5.806 -0.269 257 H TRP 36 H TRP 36 6.256 -3.218 -3.195 258 HA TRP 36 HA TRP 36 3.438 -2.497 -2.762 259 HB2 TRP 36 HB2 TRP 36 5.250 -1.763 -5.071 260 HB3 TRP 36 HB3 TRP 36 3.599 -1.205 -4.833 261 HD1 TRP 36 HD1 TRP 36 6.847 0.175 -4.606 262 HE1 TRP 36 HE1 TRP 36 7.044 2.038 -2.834 263 HE3 TRP 36 HE3 TRP 36 2.592 -0.792 -1.920 264 HZ2 TRP 36 HZ2 TRP 36 5.586 2.965 -0.622 265 HZ3 TRP 36 HZ3 TRP 36 2.079 0.640 0.008 266 HH2 TRP 36 HH2 TRP 36 3.549 2.473 0.637 267 H ASN 37 H ASN 37 1.836 -3.312 -3.975 268 HA ASN 37 HA ASN 37 2.218 -4.870 -6.347 269 HB2 ASN 37 HB2 ASN 37 2.720 -6.608 -4.627 270 HB3 ASN 37 HB3 ASN 37 1.175 -6.296 -3.860 271 HD21 ASN 37 HD21 ASN 37 2.746 -7.595 -6.709 272 HD22 ASN 37 HD22 ASN 37 1.425 -8.595 -7.214 273 H ALA 38 H ALA 38 -0.005 -5.481 -7.248 274 HA ALA 38 HA ALA 38 -2.288 -4.256 -5.976 275 HB1 ALA 38 HB1 ALA 38 -2.870 -2.838 -7.880 276 HB2 ALA 38 HB2 ALA 38 -1.360 -3.275 -8.679 277 HB3 ALA 38 HB3 ALA 38 -1.328 -2.348 -7.177 278 H ILE 39 H ILE 39 -4.290 -4.955 -6.936 279 HA ILE 39 HA ILE 39 -3.950 -7.415 -8.540 280 HB ILE 39 HB ILE 39 -6.310 -6.665 -6.791 281 HG12 ILE 39 HG12 ILE 39 -4.022 -8.554 -6.198 282 HG13 ILE 39 HG13 ILE 39 -4.278 -6.983 -5.450 283 HG21 ILE 39 HG21 ILE 39 -5.584 -9.302 -8.086 284 HG22 ILE 39 HG22 ILE 39 -6.877 -8.218 -8.601 285 HG23 ILE 39 HG23 ILE 39 -6.965 -9.010 -7.028 286 HD11 ILE 39 HD11 ILE 39 -6.079 -9.378 -5.199 287 HD12 ILE 39 HD12 ILE 39 -6.371 -7.793 -4.480 288 HD13 ILE 39 HD13 ILE 39 -4.978 -8.752 -3.969 289 H ASN 40 H ASN 40 -4.878 -7.528 -10.515 290 HA ASN 40 HA ASN 40 -6.223 -5.183 -11.526 291 HB2 ASN 40 HB2 ASN 40 -4.523 -6.549 -12.838 292 HB3 ASN 40 HB3 ASN 40 -5.780 -7.772 -13.016 293 HD21 ASN 40 HD21 ASN 40 -4.907 -4.460 -13.726 294 HD22 ASN 40 HD22 ASN 40 -5.963 -4.263 -15.077 295 H LYS 41 H LYS 41 -8.295 -5.012 -12.175 296 HA LYS 41 HA LYS 41 -10.293 -6.318 -10.713 297 HB2 LYS 41 HB2 LYS 41 -10.354 -4.011 -11.662 298 HB3 LYS 41 HB3 LYS 41 -10.616 -4.714 -13.250 299 HG2 LYS 41 HG2 LYS 41 -12.714 -5.716 -12.414 300 HG3 LYS 41 HG3 LYS 41 -12.450 -4.892 -10.873 301 HD2 LYS 41 HD2 LYS 41 -12.498 -2.738 -11.995 302 HD3 LYS 41 HD3 LYS 41 -12.700 -3.539 -13.555 303 HE2 LYS 41 HE2 LYS 41 -14.831 -4.470 -12.785 304 HE3 LYS 41 HE3 LYS 41 -14.626 -3.650 -11.238 305 HZ1 LYS 41 HZ1 LYS 41 -14.589 -1.526 -12.486 306 HZ2 LYS 41 HZ2 LYS 41 -16.061 -2.355 -12.610 307 HZ3 LYS 41 HZ3 LYS 41 -14.966 -2.382 -13.900 308 H ASP 42 H ASP 42 -8.960 -7.084 -13.842 309 HA ASP 42 HA ASP 42 -10.984 -8.736 -14.882 310 HB2 ASP 42 HB2 ASP 42 -9.242 -8.014 -16.334 311 HB3 ASP 42 HB3 ASP 42 -7.992 -8.656 -15.285 312 H GLY 43 H GLY 43 -8.282 -9.461 -12.689 313 HA2 GLY 43 HA2 GLY 43 -8.330 -11.107 -11.020 314 HA3 GLY 43 HA3 GLY 43 -9.690 -11.866 -11.829 315 H GLY 44 H GLY 44 -6.954 -11.002 -13.719 316 HA2 GLY 44 HA2 GLY 44 -6.287 -13.833 -14.060 317 HA3 GLY 44 HA3 GLY 44 -5.810 -12.524 -15.133 318 H ASP 45 H ASP 45 -4.111 -11.121 -14.484 319 HA ASP 45 HA ASP 45 -2.279 -12.367 -12.536 320 HB2 ASP 45 HB2 ASP 45 -1.551 -10.595 -14.876 321 HB3 ASP 45 HB3 ASP 45 -0.435 -11.456 -13.823 322 H ASP 46 H ASP 46 -0.827 -10.946 -11.427 323 HA ASP 46 HA ASP 46 -2.249 -8.627 -10.407 324 HB2 ASP 46 HB2 ASP 46 -0.221 -8.524 -8.862 325 HB3 ASP 46 HB3 ASP 46 -1.329 -9.857 -8.631 326 H LYS 47 H LYS 47 -0.509 -6.862 -9.647 327 HA LYS 47 HA LYS 47 0.267 -5.208 -11.661 328 HB2 LYS 47 HB2 LYS 47 0.123 -4.723 -9.229 329 HB3 LYS 47 HB3 LYS 47 1.624 -5.600 -8.982 330 HG2 LYS 47 HG2 LYS 47 2.252 -3.375 -8.983 331 HG3 LYS 47 HG3 LYS 47 2.647 -3.931 -10.609 332 HD2 LYS 47 HD2 LYS 47 0.580 -2.957 -11.459 333 HD3 LYS 47 HD3 LYS 47 0.157 -2.418 -9.829 334 HE2 LYS 47 HE2 LYS 47 2.601 -1.596 -11.372 335 HE3 LYS 47 HE3 LYS 47 1.144 -0.627 -11.169 336 HZ1 LYS 47 HZ1 LYS 47 2.974 -0.049 -9.622 337 HZ2 LYS 47 HZ2 LYS 47 2.825 -1.571 -8.910 338 HZ3 LYS 47 HZ3 LYS 47 1.531 -0.469 -8.841 339 H ASP 48 H ASP 48 2.373 -7.502 -9.958 340 HA ASP 48 HA ASP 48 4.688 -6.765 -11.470 341 HB2 ASP 48 HB2 ASP 48 4.171 -9.009 -9.510 342 HB3 ASP 48 HB3 ASP 48 5.745 -8.685 -10.230 343 H THR 49 H THR 49 2.337 -9.386 -11.598 344 HA THR 49 HA THR 49 3.873 -10.876 -13.467 345 HB THR 49 HB THR 49 0.966 -11.295 -12.789 346 HG1 THR 49 HG1 THR 49 1.955 -11.545 -10.864 347 HG21 THR 49 HG21 THR 49 1.408 -13.616 -13.403 348 HG22 THR 49 HG22 THR 49 3.084 -13.219 -13.782 349 HG23 THR 49 HG23 THR 49 1.776 -12.553 -14.762 350 H LEU 50 H LEU 50 1.176 -8.583 -13.761 351 HA LEU 50 HA LEU 50 0.842 -8.932 -16.566 352 HB2 LEU 50 HB2 LEU 50 0.048 -6.774 -14.645 353 HB3 LEU 50 HB3 LEU 50 -0.133 -6.522 -16.366 354 HG LEU 50 HG LEU 50 -1.485 -8.635 -14.685 355 HD11 LEU 50 HD11 LEU 50 -3.527 -7.503 -15.369 356 HD12 LEU 50 HD12 LEU 50 -2.579 -6.325 -16.279 357 HD13 LEU 50 HD13 LEU 50 -2.442 -6.400 -14.522 358 HD21 LEU 50 HD21 LEU 50 -2.638 -9.317 -16.745 359 HD22 LEU 50 HD22 LEU 50 -0.902 -9.614 -16.829 360 HD23 LEU 50 HD23 LEU 50 -1.601 -8.232 -17.675 361 H SER 51 H SER 51 2.969 -6.885 -14.634 362 HA SER 51 HA SER 51 3.940 -5.368 -16.848 363 HB2 SER 51 HB2 SER 51 5.173 -5.839 -14.124 364 HB3 SER 51 HB3 SER 51 5.718 -4.637 -15.295 365 HG SER 51 HG SER 51 3.337 -4.714 -13.790 366 H ARG 52 H ARG 52 4.920 -8.419 -15.349 367 HA ARG 52 HA ARG 52 7.460 -8.573 -16.658 368 HB2 ARG 52 HB2 ARG 52 7.793 -10.530 -15.500 369 HB3 ARG 52 HB3 ARG 52 6.567 -9.791 -14.491 370 HG2 ARG 52 HG2 ARG 52 4.897 -11.185 -15.854 371 HG3 ARG 52 HG3 ARG 52 6.310 -12.091 -16.385 372 HD2 ARG 52 HD2 ARG 52 5.396 -11.698 -13.545 373 HD3 ARG 52 HD3 ARG 52 5.229 -13.164 -14.500 374 HE ARG 52 HE ARG 52 7.823 -12.058 -13.618 375 HH11 ARG 52 HH11 ARG 52 5.856 -14.811 -14.582 376 HH12 ARG 52 HH12 ARG 52 6.942 -15.984 -13.898 377 HH21 ARG 52 HH21 ARG 52 9.234 -13.586 -12.716 378 HH22 ARG 52 HH22 ARG 52 8.863 -15.279 -12.819 379 H ASN 53 H ASN 53 4.222 -9.510 -17.498 380 HA ASN 53 HA ASN 53 5.125 -11.061 -19.797 381 HB2 ASN 53 HB2 ASN 53 2.403 -10.607 -18.573 382 HB3 ASN 53 HB3 ASN 53 2.641 -11.481 -20.083 383 HD21 ASN 53 HD21 ASN 53 1.644 -12.288 -17.401 384 HD22 ASN 53 HD22 ASN 53 2.590 -13.668 -16.969 385 H GLY 54 H GLY 54 4.250 -7.890 -19.091 386 HA2 GLY 54 HA2 GLY 54 4.105 -6.033 -20.442 387 HA3 GLY 54 HA3 GLY 54 4.430 -7.066 -21.819 388 H GLY 55 H GLY 55 1.766 -7.269 -19.508 389 HA2 GLY 55 HA2 GLY 55 -0.113 -6.466 -21.628 390 HA3 GLY 55 HA3 GLY 55 -0.364 -7.978 -20.768 391 H TYR 56 H TYR 56 0.696 -4.820 -19.617 392 HA TYR 56 HA TYR 56 -0.765 -4.831 -17.226 393 HB2 TYR 56 HB2 TYR 56 1.289 -3.475 -17.881 394 HB3 TYR 56 HB3 TYR 56 0.202 -2.389 -18.728 395 HD1 TYR 56 HD1 TYR 56 -1.331 -0.926 -17.442 396 HD2 TYR 56 HD2 TYR 56 1.497 -3.441 -15.499 397 HE1 TYR 56 HE1 TYR 56 -1.550 0.421 -15.399 398 HE2 TYR 56 HE2 TYR 56 1.282 -2.104 -13.449 399 HH TYR 56 HH TYR 56 -1.175 0.144 -12.937 400 H LYS 57 H LYS 57 -2.931 -5.176 -17.429 401 HA LYS 57 HA LYS 57 -4.495 -3.777 -19.361 402 HB2 LYS 57 HB2 LYS 57 -5.058 -5.869 -17.323 403 HB3 LYS 57 HB3 LYS 57 -6.406 -4.960 -17.994 404 HG2 LYS 57 HG2 LYS 57 -4.395 -6.568 -19.559 405 HG3 LYS 57 HG3 LYS 57 -6.058 -7.038 -19.202 406 HD2 LYS 57 HD2 LYS 57 -6.862 -5.075 -20.451 407 HD3 LYS 57 HD3 LYS 57 -5.194 -4.648 -20.827 408 HE2 LYS 57 HE2 LYS 57 -6.598 -7.185 -21.664 409 HE3 LYS 57 HE3 LYS 57 -6.273 -5.794 -22.698 410 HZ1 LYS 57 HZ1 LYS 57 -4.622 -7.453 -23.083 411 HZ2 LYS 57 HZ2 LYS 57 -4.270 -7.579 -21.434 412 HZ3 LYS 57 HZ3 LYS 57 -3.882 -6.159 -22.274 413 H MET 58 H MET 58 -5.878 -2.233 -19.182 414 HA MET 58 HA MET 58 -6.554 -1.110 -16.546 415 HB2 MET 58 HB2 MET 58 -6.213 0.514 -19.083 416 HB3 MET 58 HB3 MET 58 -6.538 1.122 -17.475 417 HG2 MET 58 HG2 MET 58 -4.357 0.669 -16.734 418 HG3 MET 58 HG3 MET 58 -4.007 -0.337 -18.139 419 HE1 MET 58 HE1 MET 58 -5.881 3.138 -18.233 420 HE2 MET 58 HE2 MET 58 -4.529 4.254 -18.429 421 HE3 MET 58 HE3 MET 58 -4.727 3.362 -16.919 422 H VAL 59 H VAL 59 -8.778 -1.039 -16.300 423 HA VAL 59 HA VAL 59 -10.398 -1.720 -18.614 424 HB VAL 59 HB VAL 59 -12.310 -1.907 -17.128 425 HG11 VAL 59 HG11 VAL 59 -11.535 -3.728 -15.684 426 HG12 VAL 59 HG12 VAL 59 -9.864 -3.244 -15.976 427 HG13 VAL 59 HG13 VAL 59 -10.858 -3.837 -17.309 428 HG21 VAL 59 HG21 VAL 59 -12.121 -1.597 -14.708 429 HG22 VAL 59 HG22 VAL 59 -11.871 -0.087 -15.585 430 HG23 VAL 59 HG23 VAL 59 -10.489 -0.958 -14.917 431 H GLU 60 H GLU 60 -9.391 1.052 -16.989 432 HA GLU 60 HA GLU 60 -11.067 2.770 -18.656 433 HB2 GLU 60 HB2 GLU 60 -10.731 3.057 -15.661 434 HB3 GLU 60 HB3 GLU 60 -11.263 4.375 -16.692 435 HG2 GLU 60 HG2 GLU 60 -12.719 1.756 -16.554 436 HG3 GLU 60 HG3 GLU 60 -13.046 3.069 -15.428 437 H TYR 61 H TYR 61 -10.112 4.963 -18.798 438 HA TYR 61 HA TYR 61 -7.202 4.854 -18.382 439 HB2 TYR 61 HB2 TYR 61 -8.877 6.019 -20.555 440 HB3 TYR 61 HB3 TYR 61 -7.376 6.842 -20.146 441 HD1 TYR 61 HD2 TYR 61 -8.693 3.459 -21.057 442 HD2 TYR 61 HD1 TYR 61 -5.386 6.137 -21.088 443 HE1 TYR 61 HE2 TYR 61 -7.424 1.868 -22.435 444 HE2 TYR 61 HE1 TYR 61 -4.111 4.551 -22.467 445 HH TYR 61 HH TYR 61 -4.081 2.140 -22.944 446 H GLY 62 H GLY 62 -8.594 5.440 -16.200 447 HA2 GLY 62 HA2 GLY 62 -8.658 8.354 -15.896 448 HA3 GLY 62 HA3 GLY 62 -9.234 7.175 -14.724 449 H GLY 63 H GLY 63 -6.393 5.956 -15.665 450 HA2 GLY 63 HA2 GLY 63 -4.125 6.784 -15.111 451 HA3 GLY 63 HA3 GLY 63 -4.839 7.484 -13.666 452 H ALA 64 H ALA 64 -3.425 4.719 -15.069 453 HA ALA 64 HA ALA 64 -4.377 2.910 -12.984 454 HB1 ALA 64 HB1 ALA 64 -4.278 2.121 -15.298 455 HB2 ALA 64 HB2 ALA 64 -3.247 1.167 -14.231 456 HB3 ALA 64 HB3 ALA 64 -2.534 2.373 -15.303 457 H GLN 65 H GLN 65 -1.954 5.130 -13.284 458 HA GLN 65 HA GLN 65 -0.077 3.670 -11.568 459 HB2 GLN 65 HB2 GLN 65 0.176 6.282 -13.069 460 HB3 GLN 65 HB3 GLN 65 1.359 5.750 -11.893 461 HG2 GLN 65 HG2 GLN 65 2.296 5.184 -13.928 462 HG3 GLN 65 HG3 GLN 65 1.598 3.670 -13.372 463 HE21 GLN 65 HE21 GLN 65 -0.010 2.715 -14.558 464 HE22 GLN 65 HE22 GLN 65 -0.545 3.313 -16.089 465 H ALA 66 H ALA 66 -2.817 5.042 -11.016 466 HA ALA 66 HA ALA 66 -2.209 7.123 -9.111 467 HB1 ALA 66 HB1 ALA 66 -4.617 7.241 -8.775 468 HB2 ALA 66 HB2 ALA 66 -4.835 5.763 -9.713 469 HB3 ALA 66 HB3 ALA 66 -4.232 7.224 -10.496 470 H GLU 67 H GLU 67 -2.360 3.745 -9.044 471 HA GLU 67 HA GLU 67 -2.856 3.541 -6.218 472 HB2 GLU 67 HB2 GLU 67 -2.054 1.100 -6.674 473 HB3 GLU 67 HB3 GLU 67 -3.618 1.626 -7.263 474 HG2 GLU 67 HG2 GLU 67 -2.692 0.361 -8.989 475 HG3 GLU 67 HG3 GLU 67 -2.487 2.037 -9.490 476 H TRP 68 H TRP 68 -0.898 1.756 -5.368 477 HA TRP 68 HA TRP 68 1.227 3.626 -4.843 478 HB2 TRP 68 HB2 TRP 68 1.032 0.750 -3.917 479 HB3 TRP 68 HB3 TRP 68 2.023 2.028 -3.220 480 HD1 TRP 68 HD1 TRP 68 -0.991 0.255 -2.456 481 HE1 TRP 68 HE1 TRP 68 -2.621 1.621 -1.006 482 HE3 TRP 68 HE3 TRP 68 1.088 4.898 -3.016 483 HZ2 TRP 68 HZ2 TRP 68 -2.976 4.306 -0.205 484 HZ3 TRP 68 HZ3 TRP 68 0.042 6.805 -1.872 485 HH2 TRP 68 HH2 TRP 68 -1.946 6.514 -0.497 486 H HIS 69 H HIS 69 2.430 3.976 -6.565 487 HA HIS 69 HA HIS 69 3.593 1.675 -7.998 488 HB2 HIS 69 HB2 HIS 69 1.707 3.107 -9.106 489 HB3 HIS 69 HB3 HIS 69 2.956 4.328 -9.282 490 HD1 HIS 69 HD1 HIS 69 1.335 1.960 -11.210 491 HD2 HIS 69 HD2 HIS 69 5.353 2.872 -10.671 492 HE1 HIS 69 HE1 HIS 69 2.504 1.107 -13.273 493 HE2 HIS 69 HE2 HIS 69 4.949 1.498 -12.826 494 H GLU 70 H GLU 70 4.051 5.211 -8.087 495 HA GLU 70 HA GLU 70 6.950 4.714 -8.133 496 HB2 GLU 70 HB2 GLU 70 5.950 5.584 -10.223 497 HB3 GLU 70 HB3 GLU 70 5.388 7.000 -9.345 498 HG2 GLU 70 HG2 GLU 70 7.820 7.460 -8.799 499 HG3 GLU 70 HG3 GLU 70 8.221 6.217 -9.983 500 H GLN 71 H GLN 71 4.700 7.358 -7.359 501 HA GLN 71 HA GLN 71 6.703 8.758 -5.853 502 HB2 GLN 71 HB2 GLN 71 3.796 9.410 -6.370 503 HB3 GLN 71 HB3 GLN 71 4.976 10.516 -5.668 504 HG2 GLN 71 HG2 GLN 71 6.315 10.421 -7.686 505 HG3 GLN 71 HG3 GLN 71 5.211 9.252 -8.391 506 HE21 GLN 71 HE21 GLN 71 4.859 10.513 -10.153 507 HE22 GLN 71 HE22 GLN 71 3.896 11.949 -10.110 508 H ALA 72 H ALA 72 4.572 6.370 -5.067 509 HA ALA 72 HA ALA 72 3.957 6.787 -2.366 510 HB1 ALA 72 HB1 ALA 72 3.005 4.996 -3.728 511 HB2 ALA 72 HB2 ALA 72 3.736 4.367 -2.249 512 HB3 ALA 72 HB3 ALA 72 4.580 4.209 -3.790 513 H GLU 73 H GLU 73 6.973 6.163 -3.914 514 HA GLU 73 HA GLU 73 8.541 4.854 -2.067 515 HB2 GLU 73 HB2 GLU 73 10.461 5.935 -3.126 516 HB3 GLU 73 HB3 GLU 73 9.292 5.382 -4.315 517 HG2 GLU 73 HG2 GLU 73 8.453 7.678 -4.545 518 HG3 GLU 73 HG3 GLU 73 9.635 8.222 -3.357 519 H LYS 74 H LYS 74 7.568 8.257 -1.869 520 HA LYS 74 HA LYS 74 9.500 8.986 0.114 521 HB2 LYS 74 HB2 LYS 74 6.825 10.269 -0.505 522 HB3 LYS 74 HB3 LYS 74 8.139 11.005 0.403 523 HG2 LYS 74 HG2 LYS 74 8.222 10.236 -2.512 524 HG3 LYS 74 HG3 LYS 74 8.029 11.870 -1.871 525 HD2 LYS 74 HD2 LYS 74 10.216 11.869 -0.960 526 HD3 LYS 74 HD3 LYS 74 10.400 10.134 -1.219 527 HE2 LYS 74 HE2 LYS 74 10.265 10.558 -3.667 528 HE3 LYS 74 HE3 LYS 74 10.263 12.288 -3.321 529 HZ1 LYS 74 HZ1 LYS 74 12.405 11.974 -2.178 530 HZ2 LYS 74 HZ2 LYS 74 12.480 11.591 -3.825 531 HZ3 LYS 74 HZ3 LYS 74 12.418 10.353 -2.672 532 H VAL 75 H VAL 75 6.260 7.775 0.091 533 HA VAL 75 HA VAL 75 5.681 8.052 2.860 534 HB VAL 75 HB VAL 75 4.321 6.282 0.822 535 HG11 VAL 75 HG11 VAL 75 3.310 7.502 3.377 536 HG12 VAL 75 HG12 VAL 75 3.698 5.801 3.113 537 HG13 VAL 75 HG13 VAL 75 2.359 6.547 2.238 538 HG21 VAL 75 HG21 VAL 75 4.416 8.566 -0.023 539 HG22 VAL 75 HG22 VAL 75 3.744 9.167 1.493 540 HG23 VAL 75 HG23 VAL 75 2.769 8.138 0.443 541 H GLU 76 H GLU 76 6.965 5.433 0.834 542 HA GLU 76 HA GLU 76 6.563 3.352 2.688 543 HB2 GLU 76 HB2 GLU 76 7.915 1.968 1.302 544 HB3 GLU 76 HB3 GLU 76 6.932 2.982 0.265 545 HG2 GLU 76 HG2 GLU 76 8.838 4.368 -0.237 546 HG3 GLU 76 HG3 GLU 76 9.830 3.465 0.906 547 H ALA 77 H ALA 77 9.396 5.412 2.118 548 HA ALA 77 HA ALA 77 11.053 4.243 4.080 549 HB1 ALA 77 HB1 ALA 77 11.887 5.660 2.279 550 HB2 ALA 77 HB2 ALA 77 12.402 6.249 3.862 551 HB3 ALA 77 HB3 ALA 77 11.083 7.050 3.006 552 H TYR 78 H TYR 78 8.474 6.572 4.272 553 HA TYR 78 HA TYR 78 9.130 7.542 6.878 554 HB2 TYR 78 HB2 TYR 78 7.740 8.764 5.137 555 HB3 TYR 78 HB3 TYR 78 6.414 7.693 5.578 556 HD1 TYR 78 HD2 TYR 78 8.904 9.958 7.183 557 HD2 TYR 78 HD1 TYR 78 4.934 8.426 7.222 558 HE1 TYR 78 HE2 TYR 78 8.356 11.443 9.053 559 HE2 TYR 78 HE1 TYR 78 4.379 9.915 9.100 560 HH TYR 78 HH TYR 78 6.520 12.421 10.147 561 H LEU 79 H LEU 79 7.097 4.921 5.649 562 HA LEU 79 HA LEU 79 5.841 4.322 8.134 563 HB2 LEU 79 HB2 LEU 79 5.073 3.629 5.832 564 HB3 LEU 79 HB3 LEU 79 6.360 2.453 5.812 565 HG LEU 79 HG LEU 79 3.923 1.721 6.353 566 HD11 LEU 79 HD11 LEU 79 5.795 0.203 6.416 567 HD12 LEU 79 HD12 LEU 79 4.701 -0.103 7.765 568 HD13 LEU 79 HD13 LEU 79 6.220 0.756 8.036 569 HD21 LEU 79 HD21 LEU 79 4.788 2.697 9.073 570 HD22 LEU 79 HD22 LEU 79 3.389 1.669 8.750 571 HD23 LEU 79 HD23 LEU 79 3.445 3.312 8.109 572 H VAL 80 H VAL 80 8.806 3.202 6.580 573 HA VAL 80 HA VAL 80 9.457 1.225 8.491 574 HB VAL 80 HB VAL 80 11.300 2.752 6.627 575 HG11 VAL 80 HG11 VAL 80 11.783 0.152 8.079 576 HG12 VAL 80 HG12 VAL 80 12.560 1.694 8.433 577 HG13 VAL 80 HG13 VAL 80 12.860 0.890 6.891 578 HG21 VAL 80 HG21 VAL 80 9.548 1.537 5.441 579 HG22 VAL 80 HG22 VAL 80 9.967 0.061 6.313 580 HG23 VAL 80 HG23 VAL 80 11.120 0.778 5.188 581 H GLU 81 H GLU 81 10.212 4.733 8.397 582 HA GLU 81 HA GLU 81 11.847 4.505 10.755 583 HB2 GLU 81 HB2 GLU 81 11.979 6.925 10.764 584 HB3 GLU 81 HB3 GLU 81 12.322 6.279 9.168 585 HG2 GLU 81 HG2 GLU 81 10.150 6.945 8.383 586 HG3 GLU 81 HG3 GLU 81 9.683 7.453 10.005 587 H LYS 82 H LYS 82 8.437 5.061 10.196 588 HA LYS 82 HA LYS 82 7.978 6.126 12.840 589 HB2 LYS 82 HB2 LYS 82 6.128 5.373 10.588 590 HB3 LYS 82 HB3 LYS 82 5.527 5.872 12.162 591 HG2 LYS 82 HG2 LYS 82 7.291 7.502 10.347 592 HG3 LYS 82 HG3 LYS 82 5.557 7.717 10.563 593 HD2 LYS 82 HD2 LYS 82 7.364 7.850 12.934 594 HD3 LYS 82 HD3 LYS 82 7.282 9.229 11.843 595 HE2 LYS 82 HE2 LYS 82 5.731 9.625 13.611 596 HE3 LYS 82 HE3 LYS 82 4.796 9.229 12.174 597 HZ1 LYS 82 HZ1 LYS 82 3.958 8.137 14.175 598 HZ2 LYS 82 HZ2 LYS 82 5.437 7.327 14.364 599 HZ3 LYS 82 HZ3 LYS 82 4.464 7.014 13.012 600 H GLN 83 H GLN 83 7.648 3.029 11.256 601 HA GLN 83 HA GLN 83 7.503 0.914 12.018 602 HB2 GLN 83 HB2 GLN 83 7.998 2.241 14.671 603 HB3 GLN 83 HB3 GLN 83 7.739 0.509 14.530 604 HG2 GLN 83 HG2 GLN 83 9.913 2.040 13.126 605 HG3 GLN 83 HG3 GLN 83 10.107 1.140 14.633 606 HE21 GLN 83 HE21 GLN 83 9.680 0.928 11.219 607 HE22 GLN 83 HE22 GLN 83 10.014 -0.763 11.083 608 H ASP 84 H ASP 84 5.054 2.891 12.112 609 HA ASP 84 HA ASP 84 3.288 1.013 13.466 610 HB2 ASP 84 HB2 ASP 84 4.030 2.914 15.038 611 HB3 ASP 84 HB3 ASP 84 3.023 3.959 14.039 612 HA PRO 85 HA PRO 85 1.164 1.933 9.655 613 HB2 PRO 85 HB2 PRO 85 -0.766 0.073 9.912 614 HB3 PRO 85 HB3 PRO 85 0.897 -0.319 9.472 615 HG2 PRO 85 HG2 PRO 85 -0.459 -0.528 12.124 616 HG3 PRO 85 HG3 PRO 85 0.638 -1.674 11.329 617 HD2 PRO 85 HD2 PRO 85 1.444 0.036 13.273 618 HD3 PRO 85 HD3 PRO 85 2.510 -0.525 11.971 619 H THR 86 H THR 86 -0.077 2.698 12.747 620 HA THR 86 HA THR 86 -2.386 3.918 11.392 621 HB THR 86 HB THR 86 -3.177 2.062 12.806 622 HG1 THR 86 HG1 THR 86 -4.783 3.459 12.708 623 HG21 THR 86 HG21 THR 86 -3.190 2.288 15.246 624 HG22 THR 86 HG22 THR 86 -2.124 3.687 15.115 625 HG23 THR 86 HG23 THR 86 -1.559 2.094 14.606 626 H ASP 87 H ASP 87 0.395 4.471 13.276 627 HA ASP 87 HA ASP 87 -0.537 6.995 14.353 628 HB2 ASP 87 HB2 ASP 87 1.181 5.507 15.513 629 HB3 ASP 87 HB3 ASP 87 2.326 6.031 14.284 630 H ILE 88 H ILE 88 -1.029 8.329 12.826 631 HA ILE 88 HA ILE 88 0.977 9.596 11.235 632 HB ILE 88 HB ILE 88 0.534 7.630 9.813 633 HG12 ILE 88 HG12 ILE 88 -0.129 8.818 7.705 634 HG13 ILE 88 HG13 ILE 88 -0.536 10.222 8.681 635 HG21 ILE 88 HG21 ILE 88 -2.329 8.566 9.735 636 HG22 ILE 88 HG22 ILE 88 -1.724 7.100 10.508 637 HG23 ILE 88 HG23 ILE 88 -1.643 7.268 8.753 638 HD11 ILE 88 HD11 ILE 88 1.785 10.401 9.407 639 HD12 ILE 88 HD12 ILE 88 1.653 10.458 7.649 640 HD13 ILE 88 HD13 ILE 88 2.198 8.981 8.444 641 H LYS 89 H LYS 89 0.232 11.626 10.457 642 HA LYS 89 HA LYS 89 -2.444 12.394 11.397 643 HB2 LYS 89 HB2 LYS 89 -0.651 13.223 12.896 644 HB3 LYS 89 HB3 LYS 89 0.085 14.050 11.535 645 HG2 LYS 89 HG2 LYS 89 -1.147 15.606 12.913 646 HG3 LYS 89 HG3 LYS 89 -1.894 15.469 11.322 647 HD2 LYS 89 HD2 LYS 89 -3.625 14.030 12.215 648 HD3 LYS 89 HD3 LYS 89 -2.840 14.020 13.797 649 HE2 LYS 89 HE2 LYS 89 -3.258 16.364 14.086 650 HE3 LYS 89 HE3 LYS 89 -3.850 16.506 12.430 651 HZ1 LYS 89 HZ1 LYS 89 -5.138 14.899 14.568 652 HZ2 LYS 89 HZ2 LYS 89 -5.715 15.115 12.992 653 HZ3 LYS 89 HZ3 LYS 89 -5.648 16.430 14.054 654 H TYR 90 H TYR 90 -3.682 12.960 9.756 655 HA TYR 90 HA TYR 90 -2.441 14.263 7.418 656 HB2 TYR 90 HB2 TYR 90 -5.284 13.234 7.473 657 HB3 TYR 90 HB3 TYR 90 -4.294 13.645 6.087 658 HD1 TYR 90 HD2 TYR 90 -2.008 12.185 5.980 659 HD2 TYR 90 HD1 TYR 90 -5.661 11.009 7.806 660 HE1 TYR 90 HE2 TYR 90 -1.379 9.826 5.705 661 HE2 TYR 90 HE1 TYR 90 -5.041 8.647 7.541 662 HH TYR 90 HH TYR 90 -3.572 7.292 6.101 663 H LYS 91 H LYS 91 -3.330 16.117 6.572 664 HA LYS 91 HA LYS 91 -5.479 17.412 8.077 665 HB2 LYS 91 HB2 LYS 91 -4.024 19.596 7.276 666 HB3 LYS 91 HB3 LYS 91 -4.022 18.934 8.896 667 HG2 LYS 91 HG2 LYS 91 -1.765 19.332 8.317 668 HG3 LYS 91 HG3 LYS 91 -1.991 17.589 8.239 669 HD2 LYS 91 HD2 LYS 91 -0.659 18.236 6.370 670 HD3 LYS 91 HD3 LYS 91 -2.257 17.822 5.755 671 HE2 LYS 91 HE2 LYS 91 -1.537 19.796 4.630 672 HE3 LYS 91 HE3 LYS 91 -2.805 20.264 5.757 673 HZ1 LYS 91 HZ1 LYS 91 0.119 20.614 6.155 674 HZ2 LYS 91 HZ2 LYS 91 -1.074 21.002 7.297 675 HZ3 LYS 91 HZ3 LYS 91 -1.011 21.834 5.824 676 H ASP 92 H ASP 92 -7.002 16.869 6.448 677 HA ASP 92 HA ASP 92 -6.804 18.075 3.903 678 HB2 ASP 92 HB2 ASP 92 -5.026 16.254 3.824 679 HB3 ASP 92 HB3 ASP 92 -6.333 15.090 3.940 680 H ASN 93 H ASN 93 -8.492 17.052 2.402 681 HA ASN 93 HA ASN 93 -10.962 16.411 3.692 682 HB2 ASN 93 HB2 ASN 93 -10.081 16.248 0.802 683 HB3 ASN 93 HB3 ASN 93 -11.730 15.980 1.350 684 HD21 ASN 93 HD21 ASN 93 -12.967 17.705 1.990 685 HD22 ASN 93 HD22 ASN 93 -12.512 19.347 1.684 686 H ASP 94 H ASP 94 -8.257 14.568 2.481 687 HA ASP 94 HA ASP 94 -9.763 12.078 2.887 688 HB2 ASP 94 HB2 ASP 94 -9.211 12.574 0.424 689 HB3 ASP 94 HB3 ASP 94 -7.529 12.391 0.877 690 H GLY 95 H GLY 95 -6.367 13.245 2.478 691 HA2 GLY 95 HA2 GLY 95 -5.391 11.976 4.759 692 HA3 GLY 95 HA3 GLY 95 -5.375 10.796 3.461 693 H HIS 96 H HIS 96 -4.753 14.244 3.015 694 HA HIS 96 HA HIS 96 -2.070 13.582 2.106 695 HB2 HIS 96 HB2 HIS 96 -3.683 16.127 2.070 696 HB3 HIS 96 HB3 HIS 96 -1.945 16.162 1.797 697 HD1 HIS 96 HD1 HIS 96 -5.015 16.002 0.008 698 HD2 HIS 96 HD2 HIS 96 -1.276 14.253 -0.472 699 HE1 HIS 96 HE1 HIS 96 -4.904 15.313 -2.407 700 HE2 HIS 96 HE2 HIS 96 -2.584 14.401 -2.708 701 H THR 97 H THR 97 -0.339 13.787 3.260 702 HA THR 97 HA THR 97 -0.626 14.866 5.973 703 HB THR 97 HB THR 97 -0.319 12.527 6.199 704 HG1 THR 97 HG1 THR 97 0.994 13.120 7.736 705 HG21 THR 97 HG21 THR 97 2.042 12.732 4.339 706 HG22 THR 97 HG22 THR 97 0.485 11.989 3.973 707 HG23 THR 97 HG23 THR 97 1.533 11.280 5.202 708 H ASP 98 H ASP 98 0.929 16.146 6.807 709 HA ASP 98 HA ASP 98 2.476 17.617 4.831 710 HB2 ASP 98 HB2 ASP 98 0.916 18.539 6.722 711 HB3 ASP 98 HB3 ASP 98 2.317 18.279 7.755 712 H ALA 99 H ALA 99 2.961 15.092 6.961 713 HA ALA 99 HA ALA 99 5.525 15.905 8.019 714 HB1 ALA 99 HB1 ALA 99 3.956 13.367 8.406 715 HB2 ALA 99 HB2 ALA 99 3.886 14.802 9.431 716 HB3 ALA 99 HB3 ALA 99 5.376 13.864 9.325 717 H ILE 100 H ILE 100 4.713 14.575 5.095 718 HA ILE 100 HA ILE 100 7.238 13.053 4.974 719 HB ILE 100 HB ILE 100 4.863 12.658 3.112 720 HG12 ILE 100 HG12 ILE 100 5.659 11.055 5.565 721 HG13 ILE 100 HG13 ILE 100 4.212 12.039 5.396 722 HG21 ILE 100 HG21 ILE 100 7.012 11.941 2.189 723 HG22 ILE 100 HG22 ILE 100 5.990 10.546 2.540 724 HG23 ILE 100 HG23 ILE 100 7.318 10.962 3.625 725 HD11 ILE 100 HD11 ILE 100 3.383 10.520 3.670 726 HD12 ILE 100 HD12 ILE 100 3.712 9.676 5.185 727 HD13 ILE 100 HD13 ILE 100 4.842 9.542 3.838 728 H SER 101 H SER 101 5.977 15.943 4.329 729 HA SER 101 HA SER 101 6.220 17.690 2.932 730 HB2 SER 101 HB2 SER 101 8.719 16.314 1.953 731 HB3 SER 101 HB3 SER 101 8.339 18.026 1.787 732 HG SER 101 HG SER 101 9.329 16.630 3.928 733 H GLY 102 H GLY 102 7.563 15.299 0.715 734 HA2 GLY 102 HA2 GLY 102 5.820 16.374 -1.376 735 HA3 GLY 102 HA3 GLY 102 7.281 15.446 -1.631 736 H ALA 103 H ALA 103 4.705 14.450 0.567 737 HA ALA 103 HA ALA 103 4.085 12.149 -1.045 738 HB1 ALA 103 HB1 ALA 103 2.718 13.228 1.427 739 HB2 ALA 103 HB2 ALA 103 3.974 11.987 1.384 740 HB3 ALA 103 HB3 ALA 103 2.393 11.670 0.667 741 H THR 104 H THR 104 3.190 12.620 -2.921 742 HA THR 104 HA THR 104 1.687 15.010 -3.351 743 HB THR 104 HB THR 104 1.613 14.092 -5.730 744 HG1 THR 104 HG1 THR 104 3.146 12.340 -6.037 745 HG21 THR 104 HG21 THR 104 3.296 15.713 -4.977 746 HG22 THR 104 HG22 THR 104 3.994 14.552 -6.106 747 HG23 THR 104 HG23 THR 104 4.302 14.394 -4.376 748 H ILE 105 H ILE 105 0.928 11.561 -3.413 749 HA ILE 105 HA ILE 105 -1.881 12.124 -4.004 750 HB ILE 105 HB ILE 105 -0.579 10.396 -5.270 751 HG12 ILE 105 HG12 ILE 105 -3.211 10.344 -4.580 752 HG13 ILE 105 HG13 ILE 105 -2.471 9.284 -5.763 753 HG21 ILE 105 HG21 ILE 105 0.822 9.508 -3.558 754 HG22 ILE 105 HG22 ILE 105 -0.140 8.199 -4.249 755 HG23 ILE 105 HG23 ILE 105 -0.570 8.876 -2.678 756 HD11 ILE 105 HD11 ILE 105 -2.288 7.533 -4.059 757 HD12 ILE 105 HD12 ILE 105 -3.953 8.072 -4.275 758 HD13 ILE 105 HD13 ILE 105 -3.024 8.613 -2.875 759 H LYS 106 H LYS 106 -3.583 11.178 -2.568 760 HA LYS 106 HA LYS 106 -3.004 11.622 0.145 761 HB2 LYS 106 HB2 LYS 106 -5.364 10.516 0.437 762 HB3 LYS 106 HB3 LYS 106 -5.170 12.128 -0.223 763 HG2 LYS 106 HG2 LYS 106 -6.740 11.190 -1.619 764 HG3 LYS 106 HG3 LYS 106 -5.247 10.950 -2.523 765 HD2 LYS 106 HD2 LYS 106 -5.167 8.656 -1.964 766 HD3 LYS 106 HD3 LYS 106 -6.395 8.842 -0.711 767 HE2 LYS 106 HE2 LYS 106 -6.872 9.231 -3.667 768 HE3 LYS 106 HE3 LYS 106 -7.259 7.764 -2.766 769 HZ1 LYS 106 HZ1 LYS 106 -8.427 10.461 -2.324 770 HZ2 LYS 106 HZ2 LYS 106 -8.736 9.113 -1.353 771 HZ3 LYS 106 HZ3 LYS 106 -9.219 9.112 -2.975 772 H VAL 107 H VAL 107 -2.575 10.467 1.752 773 HA VAL 107 HA VAL 107 -1.296 7.905 1.199 774 HB VAL 107 HB VAL 107 -0.965 9.949 3.427 775 HG11 VAL 107 HG11 VAL 107 0.789 7.579 2.829 776 HG12 VAL 107 HG12 VAL 107 -0.268 7.752 4.229 777 HG13 VAL 107 HG13 VAL 107 1.107 8.837 4.027 778 HG21 VAL 107 HG21 VAL 107 -0.247 10.794 1.290 779 HG22 VAL 107 HG22 VAL 107 0.735 9.353 1.023 780 HG23 VAL 107 HG23 VAL 107 1.156 10.477 2.314 781 H LYS 108 H LYS 108 -4.213 8.874 2.398 782 HA LYS 108 HA LYS 108 -4.469 7.704 4.912 783 HB2 LYS 108 HB2 LYS 108 -6.076 9.318 3.854 784 HB3 LYS 108 HB3 LYS 108 -6.707 7.972 2.909 785 HG2 LYS 108 HG2 LYS 108 -7.229 6.792 5.034 786 HG3 LYS 108 HG3 LYS 108 -6.741 8.245 5.910 787 HD2 LYS 108 HD2 LYS 108 -8.464 9.509 4.634 788 HD3 LYS 108 HD3 LYS 108 -9.003 7.975 3.941 789 HE2 LYS 108 HE2 LYS 108 -8.883 8.550 6.894 790 HE3 LYS 108 HE3 LYS 108 -10.332 8.747 5.912 791 HZ1 LYS 108 HZ1 LYS 108 -10.318 6.420 5.415 792 HZ2 LYS 108 HZ2 LYS 108 -10.248 6.616 7.093 793 HZ3 LYS 108 HZ3 LYS 108 -8.851 6.188 6.232 794 H LYS 109 H LYS 109 -5.093 6.311 1.707 795 HA LYS 109 HA LYS 109 -6.192 3.875 2.608 796 HB2 LYS 109 HB2 LYS 109 -6.568 4.705 0.365 797 HB3 LYS 109 HB3 LYS 109 -4.851 4.604 0.007 798 HG2 LYS 109 HG2 LYS 109 -4.954 2.164 0.258 799 HG3 LYS 109 HG3 LYS 109 -6.683 2.265 0.560 800 HD2 LYS 109 HD2 LYS 109 -5.245 3.132 -1.937 801 HD3 LYS 109 HD3 LYS 109 -6.188 1.658 -1.741 802 HE2 LYS 109 HE2 LYS 109 -8.212 2.888 -1.531 803 HE3 LYS 109 HE3 LYS 109 -7.340 4.414 -1.408 804 HZ1 LYS 109 HZ1 LYS 109 -6.594 4.149 -3.681 805 HZ2 LYS 109 HZ2 LYS 109 -8.286 4.091 -3.614 806 HZ3 LYS 109 HZ3 LYS 109 -7.397 2.662 -3.806 807 H PHE 110 H PHE 110 -2.843 4.864 2.025 808 HA PHE 110 HA PHE 110 -1.671 2.311 2.015 809 HB2 PHE 110 HB2 PHE 110 -0.335 4.140 1.266 810 HB3 PHE 110 HB3 PHE 110 -0.562 5.017 2.775 811 HD1 PHE 110 HD1 PHE 110 0.829 1.768 1.563 812 HD2 PHE 110 HD2 PHE 110 1.132 4.999 4.295 813 HE1 PHE 110 HE1 PHE 110 2.885 0.792 2.487 814 HE2 PHE 110 HE2 PHE 110 3.193 4.031 5.216 815 HZ PHE 110 HZ PHE 110 4.066 1.921 4.312 816 H PHE 111 H PHE 111 -2.099 4.605 4.702 817 HA PHE 111 HA PHE 111 -1.125 2.749 6.638 818 HB2 PHE 111 HB2 PHE 111 -2.466 5.427 6.817 819 HB3 PHE 111 HB3 PHE 111 -2.197 4.459 8.265 820 HD1 PHE 111 HD1 PHE 111 0.047 4.059 9.092 821 HD2 PHE 111 HD2 PHE 111 -0.594 6.418 5.617 822 HE1 PHE 111 HE1 PHE 111 2.349 4.902 9.246 823 HE2 PHE 111 HE2 PHE 111 1.714 7.259 5.761 824 HZ PHE 111 HZ PHE 111 3.187 6.503 7.579 825 H ASP 112 H ASP 112 -4.291 3.441 5.329 826 HA ASP 112 HA ASP 112 -5.863 2.130 7.292 827 HB2 ASP 112 HB2 ASP 112 -6.242 3.154 4.573 828 HB3 ASP 112 HB3 ASP 112 -7.234 1.745 4.922 829 H LEU 113 H LEU 113 -4.361 1.009 4.288 830 HA LEU 113 HA LEU 113 -5.320 -1.675 4.619 831 HB2 LEU 113 HB2 LEU 113 -3.751 -0.218 2.588 832 HB3 LEU 113 HB3 LEU 113 -3.423 -1.919 2.716 833 HG LEU 113 HG LEU 113 -5.035 -1.634 0.995 834 HD11 LEU 113 HD11 LEU 113 -6.884 -2.974 1.826 835 HD12 LEU 113 HD12 LEU 113 -6.391 -2.632 3.485 836 HD13 LEU 113 HD13 LEU 113 -5.334 -3.566 2.425 837 HD21 LEU 113 HD21 LEU 113 -6.735 -0.144 2.994 838 HD22 LEU 113 HD22 LEU 113 -7.224 -0.607 1.364 839 HD23 LEU 113 HD23 LEU 113 -5.917 0.554 1.596 840 H ALA 114 H ALA 114 -2.369 0.035 5.438 841 HA ALA 114 HA ALA 114 -0.854 -2.257 6.109 842 HB1 ALA 114 HB1 ALA 114 0.578 -0.743 7.349 843 HB2 ALA 114 HB2 ALA 114 -0.648 0.522 7.241 844 HB3 ALA 114 HB3 ALA 114 0.150 -0.061 5.779 845 H GLN 115 H GLN 115 -3.255 -0.400 7.901 846 HA GLN 115 HA GLN 115 -2.938 -1.659 10.430 847 HB2 GLN 115 HB2 GLN 115 -5.265 -0.291 9.100 848 HB3 GLN 115 HB3 GLN 115 -5.409 -0.996 10.703 849 HG2 GLN 115 HG2 GLN 115 -3.776 0.487 11.581 850 HG3 GLN 115 HG3 GLN 115 -3.358 1.071 9.977 851 HE21 GLN 115 HE21 GLN 115 -4.652 2.561 8.974 852 HE22 GLN 115 HE22 GLN 115 -5.929 3.404 9.785 853 H LYS 116 H LYS 116 -4.721 -2.480 7.536 854 HA LYS 116 HA LYS 116 -6.097 -4.729 8.631 855 HB2 LYS 116 HB2 LYS 116 -5.681 -3.756 5.805 856 HB3 LYS 116 HB3 LYS 116 -6.670 -5.152 6.218 857 HG2 LYS 116 HG2 LYS 116 -8.198 -3.812 7.450 858 HG3 LYS 116 HG3 LYS 116 -7.143 -2.404 7.351 859 HD2 LYS 116 HD2 LYS 116 -8.962 -2.136 5.802 860 HD3 LYS 116 HD3 LYS 116 -7.473 -2.387 4.894 861 HE2 LYS 116 HE2 LYS 116 -9.327 -3.638 3.915 862 HE3 LYS 116 HE3 LYS 116 -8.086 -4.727 4.530 863 HZ1 LYS 116 HZ1 LYS 116 -10.291 -5.499 5.097 864 HZ2 LYS 116 HZ2 LYS 116 -10.631 -4.045 5.898 865 HZ3 LYS 116 HZ3 LYS 116 -9.441 -5.087 6.499 866 H ALA 117 H ALA 117 -2.985 -4.208 7.177 867 HA ALA 117 HA ALA 117 -2.484 -6.955 6.508 868 HB1 ALA 117 HB1 ALA 117 -0.216 -6.222 6.032 869 HB2 ALA 117 HB2 ALA 117 -0.541 -4.665 6.797 870 HB3 ALA 117 HB3 ALA 117 -1.390 -5.116 5.318 871 H LEU 118 H LEU 118 -1.619 -4.836 9.243 872 HA LEU 118 HA LEU 118 -0.176 -7.078 10.471 873 HB2 LEU 118 HB2 LEU 118 -0.201 -4.133 11.108 874 HB3 LEU 118 HB3 LEU 118 0.613 -5.326 12.101 875 HG LEU 118 HG LEU 118 1.556 -5.742 9.492 876 HD11 LEU 118 HD11 LEU 118 2.417 -3.564 8.865 877 HD12 LEU 118 HD12 LEU 118 1.572 -2.823 10.224 878 HD13 LEU 118 HD13 LEU 118 0.652 -3.549 8.905 879 HD21 LEU 118 HD21 LEU 118 2.815 -4.314 11.824 880 HD22 LEU 118 HD22 LEU 118 3.668 -5.016 10.447 881 HD23 LEU 118 HD23 LEU 118 2.788 -6.058 11.566 882 H LYS 119 H LYS 119 -3.216 -6.643 10.416 883 HA LYS 119 HA LYS 119 -4.060 -5.966 13.026 884 HB2 LYS 119 HB2 LYS 119 -6.224 -7.017 12.378 885 HB3 LYS 119 HB3 LYS 119 -5.621 -5.826 11.236 886 HG2 LYS 119 HG2 LYS 119 -5.090 -7.433 9.637 887 HG3 LYS 119 HG3 LYS 119 -5.103 -8.747 10.810 888 HD2 LYS 119 HD2 LYS 119 -7.043 -8.817 9.314 889 HD3 LYS 119 HD3 LYS 119 -7.519 -8.588 10.995 890 HE2 LYS 119 HE2 LYS 119 -7.835 -6.206 10.588 891 HE3 LYS 119 HE3 LYS 119 -7.308 -6.412 8.917 892 HZ1 LYS 119 HZ1 LYS 119 -9.745 -6.346 9.190 893 HZ2 LYS 119 HZ2 LYS 119 -9.660 -7.771 10.101 894 HZ3 LYS 119 HZ3 LYS 119 -9.192 -7.778 8.475 895 H ASP 120 H ASP 120 -3.249 -9.073 11.572 896 HA ASP 120 HA ASP 120 -3.834 -10.494 14.038 897 HB2 ASP 120 HB2 ASP 120 -2.715 -11.452 11.392 898 HB3 ASP 120 HB3 ASP 120 -3.065 -12.495 12.765 899 H ALA 121 H ALA 121 -1.223 -9.114 12.320 900 HA ALA 121 HA ALA 121 1.030 -9.190 12.320 901 HB1 ALA 121 HB1 ALA 121 0.653 -9.490 15.290 902 HB2 ALA 121 HB2 ALA 121 0.580 -7.977 14.384 903 HB3 ALA 121 HB3 ALA 121 2.089 -8.886 14.463 904 H GLU 122 H GLU 122 -0.318 -11.837 12.088 905 HA GLU 122 HA GLU 122 2.067 -13.483 12.544 906 HB2 GLU 122 HB2 GLU 122 -0.775 -14.248 13.232 907 HB3 GLU 122 HB3 GLU 122 0.539 -15.406 13.103 908 HG2 GLU 122 HG2 GLU 122 1.727 -14.200 14.902 909 HG3 GLU 122 HG3 GLU 122 0.327 -13.140 15.065 910 H LYS 123 H LYS 123 0.448 -12.118 10.273 911 HA LYS 123 HA LYS 123 -0.342 -14.314 8.571 912 HB2 LYS 123 HB2 LYS 123 -0.012 -11.366 7.948 913 HB3 LYS 123 HB3 LYS 123 -0.809 -12.551 6.922 914 HG2 LYS 123 HG2 LYS 123 -2.574 -12.846 8.510 915 HG3 LYS 123 HG3 LYS 123 -1.733 -11.865 9.707 916 HD2 LYS 123 HD2 LYS 123 -3.466 -10.526 8.769 917 HD3 LYS 123 HD3 LYS 123 -1.936 -9.927 8.132 918 HE2 LYS 123 HE2 LYS 123 -3.569 -9.988 6.360 919 HE3 LYS 123 HE3 LYS 123 -2.338 -11.214 6.058 920 HZ1 LYS 123 HZ1 LYS 123 -4.657 -11.959 5.670 921 HZ2 LYS 123 HZ2 LYS 123 -4.957 -11.792 7.327 922 HZ3 LYS 123 HZ3 LYS 123 -3.809 -12.911 6.782 923 H LEU 124 H LEU 124 0.937 -15.338 7.098 924 HA LEU 124 HA LEU 124 3.677 -14.293 6.831 925 HB2 LEU 124 HB2 LEU 124 2.872 -17.188 7.126 926 HB3 LEU 124 HB3 LEU 124 4.502 -16.608 6.863 927 HG LEU 124 HG LEU 124 2.828 -16.063 9.324 928 HD11 LEU 124 HD11 LEU 124 3.530 -18.384 9.173 929 HD12 LEU 124 HD12 LEU 124 4.416 -17.546 10.447 930 HD13 LEU 124 HD13 LEU 124 5.197 -17.878 8.900 931 HD21 LEU 124 HD21 LEU 124 4.384 -14.239 8.843 932 HD22 LEU 124 HD22 LEU 124 5.713 -15.395 8.739 933 HD23 LEU 124 HD23 LEU 124 4.880 -15.144 10.273 934 H GLU 125 H GLU 125 3.396 -13.413 4.841 935 HA GLU 125 HA GLU 125 2.861 -15.178 2.581 936 HB2 GLU 125 HB2 GLU 125 3.586 -12.232 2.686 937 HB3 GLU 125 HB3 GLU 125 3.263 -13.126 1.209 938 HG2 GLU 125 HG2 GLU 125 1.279 -12.715 3.434 939 HG3 GLU 125 HG3 GLU 125 1.368 -11.738 1.970 940 H HIS 126 H HIS 126 4.641 -14.355 0.691 941 HA HIS 126 HA HIS 126 7.224 -15.154 1.857 942 HB2 HIS 126 HB2 HIS 126 6.014 -16.091 -0.756 943 HB3 HIS 126 HB3 HIS 126 7.657 -16.438 -0.242 944 HD1 HIS 126 HD1 HIS 126 7.992 -18.373 1.353 945 HD2 HIS 126 HD2 HIS 126 3.989 -17.470 0.718 946 HE1 HIS 126 HE1 HIS 126 6.700 -20.264 2.379 947 HE2 HIS 126 HE2 HIS 126 4.304 -19.804 1.771 948 H HIS 127 H HIS 127 8.109 -13.116 1.875 949 HA HIS 127 HA HIS 127 9.153 -12.293 -0.705 950 HB2 HIS 127 HB2 HIS 127 7.157 -10.846 -0.432 951 HB3 HIS 127 HB3 HIS 127 7.765 -10.308 1.124 952 HD1 HIS 127 HD1 HIS 127 8.869 -10.228 -2.515 953 HD2 HIS 127 HD2 HIS 127 9.230 -8.023 0.991 954 HE1 HIS 127 HE1 HIS 127 10.190 -8.183 -3.134 955 HE2 HIS 127 HE2 HIS 127 10.188 -6.764 -1.058 956 H HIS 128 H HIS 128 11.256 -11.642 -0.555 957 HA HIS 128 HA HIS 128 12.265 -10.773 2.067 958 HB2 HIS 128 HB2 HIS 128 13.309 -12.962 0.345 959 HB3 HIS 128 HB3 HIS 128 14.501 -11.892 1.074 960 HD1 HIS 128 HD1 HIS 128 11.774 -14.324 2.033 961 HD2 HIS 128 HD2 HIS 128 14.978 -12.306 3.743 962 HE1 HIS 128 HE1 HIS 128 12.064 -15.333 4.316 963 HE2 HIS 128 HE2 HIS 128 14.108 -14.212 5.267 964 H HIS 129 H HIS 129 12.538 -8.703 1.755 965 HA HIS 129 HA HIS 129 13.759 -7.578 -0.619 966 HB2 HIS 129 HB2 HIS 129 12.048 -6.311 0.593 967 HB3 HIS 129 HB3 HIS 129 12.973 -6.409 2.077 968 HD1 HIS 129 HD1 HIS 129 14.349 -4.432 2.610 969 HD2 HIS 129 HD2 HIS 129 13.384 -4.606 -1.423 970 HE1 HIS 129 HE1 HIS 129 15.217 -2.299 1.621 971 HE2 HIS 129 HE2 HIS 129 14.470 -2.343 -0.777 972 H HIS 130 H HIS 130 15.830 -6.455 -0.552 973 HA HIS 130 HA HIS 130 17.893 -7.945 0.658 974 HB2 HIS 130 HB2 HIS 130 17.871 -6.338 -1.459 975 HB3 HIS 130 HB3 HIS 130 18.408 -5.155 -0.272 976 HD1 HIS 130 HD1 HIS 130 19.622 -7.765 -2.459 977 HD2 HIS 130 HD2 HIS 130 20.896 -6.014 1.088 978 HE1 HIS 130 HE1 HIS 130 22.052 -8.367 -2.246 979 HE2 HIS 130 HE2 HIS 130 22.738 -7.470 0.001 980 H HIS 131 H HIS 131 18.723 -7.870 2.555 981 HA HIS 131 HA HIS 131 17.866 -6.079 4.606 982 HB2 HIS 131 HB2 HIS 131 18.401 -8.460 5.005 983 HB3 HIS 131 HB3 HIS 131 20.071 -8.174 4.548 984 HD1 HIS 131 HD1 HIS 131 21.638 -7.646 6.370 985 HD2 HIS 131 HD2 HIS 131 17.678 -7.076 7.508 986 HE1 HIS 131 HE1 HIS 131 21.705 -7.204 8.843 987 HE2 HIS 131 HE2 HIS 131 19.304 -6.969 9.534
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