NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
476642 | 2l1n | 17090 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HN MET 1 -4.767 -9.259 -6.248 2 HA MET 1 HA MET 1 -5.218 -10.724 -8.149 3 HB2 MET 1 HB2 MET 1 -5.970 -9.781 -10.278 4 HB3 MET 1 HB3 MET 1 -7.138 -9.645 -8.984 5 HG2 MET 1 HG2 MET 1 -6.133 -7.228 -8.665 6 HG3 MET 1 HG3 MET 1 -5.571 -7.452 -10.325 7 HE1 MET 1 HE1 MET 1 -7.611 -5.034 -9.543 8 HE2 MET 1 HE2 MET 1 -9.277 -5.545 -9.239 9 HE3 MET 1 HE3 MET 1 -7.972 -6.078 -8.139 10 H GLY 2 HN GLY 2 -3.990 -9.531 -10.667 11 HA2 GLY 2 HA2 GLY 2 -1.273 -8.913 -9.639 12 HA3 GLY 2 HA1 GLY 2 -1.670 -9.829 -11.088 13 H ILE 3 HN ILE 3 -2.279 -6.701 -9.578 14 HA ILE 3 HA ILE 3 -2.593 -5.284 -12.150 15 HB ILE 3 HB ILE 3 -2.358 -4.003 -9.399 16 HG12 ILE 3 HG12 ILE 3 -4.889 -5.073 -10.696 17 HG13 ILE 3 HG13 ILE 3 -4.128 -5.741 -9.238 18 HG21 ILE 3 HG21 ILE 3 -3.693 -2.196 -10.403 19 HG22 ILE 3 HG22 ILE 3 -2.349 -2.480 -11.449 20 HG23 ILE 3 HG23 ILE 3 -3.933 -3.140 -11.887 21 HD11 ILE 3 HD11 ILE 3 -4.445 -3.410 -8.178 22 HD12 ILE 3 HD12 ILE 3 -5.553 -3.082 -9.518 23 HD13 ILE 3 HD13 ILE 3 -5.883 -4.420 -8.422 24 H THR 4 HN THR 4 -1.090 -3.350 -12.396 25 HA THR 4 HA THR 4 1.746 -3.938 -11.713 26 HB THR 4 HB THR 4 0.551 -2.069 -13.801 27 HG1 THR 4 HG1 THR 4 0.636 -3.582 -15.194 28 HG21 THR 4 HG21 THR 4 2.791 -2.199 -14.850 29 HG22 THR 4 HG22 THR 4 3.356 -3.185 -13.487 30 HG23 THR 4 HG23 THR 4 2.863 -1.484 -13.233 31 H ILE 5 HN ILE 5 2.898 -2.138 -10.620 32 HA ILE 5 HA ILE 5 1.341 0.371 -10.237 33 HB ILE 5 HB ILE 5 3.738 -0.441 -8.574 34 HG12 ILE 5 HG12 ILE 5 2.099 -2.191 -8.194 35 HG13 ILE 5 HG13 ILE 5 2.380 -1.232 -6.772 36 HG21 ILE 5 HG21 ILE 5 3.267 1.891 -8.409 37 HG22 ILE 5 HG22 ILE 5 1.530 1.612 -8.194 38 HG23 ILE 5 HG23 ILE 5 2.687 1.162 -6.917 39 HD11 ILE 5 HD11 ILE 5 0.002 -1.007 -8.647 40 HD12 ILE 5 HD12 ILE 5 0.006 -1.803 -7.062 41 HD13 ILE 5 HD13 ILE 5 0.231 -0.043 -7.184 42 H THR 6 HN THR 6 2.527 2.290 -10.635 43 HA THR 6 HA THR 6 5.169 2.028 -11.964 44 HB THR 6 HB THR 6 4.252 4.219 -13.125 45 HG1 THR 6 HG1 THR 6 1.913 3.805 -13.495 46 HG21 THR 6 HG21 THR 6 3.356 2.868 -14.941 47 HG22 THR 6 HG22 THR 6 3.158 1.467 -13.851 48 HG23 THR 6 HG23 THR 6 4.784 2.091 -14.250 49 H ASP 7 HN ASP 7 6.691 3.629 -11.527 50 HA ASP 7 HA ASP 7 6.968 4.761 -9.084 51 HB2 ASP 7 HB2 ASP 7 8.048 5.689 -11.767 52 HB3 ASP 7 HB3 ASP 7 8.650 6.237 -10.212 53 H GLU 8 HN GLU 8 5.313 6.152 -11.949 54 HA GLU 8 HA GLU 8 4.992 8.721 -10.866 55 HB2 GLU 8 HB2 GLU 8 3.535 9.228 -12.546 56 HB3 GLU 8 HB3 GLU 8 4.523 7.986 -13.285 57 HG2 GLU 8 HG2 GLU 8 2.709 6.324 -12.823 58 HG3 GLU 8 HG3 GLU 8 1.748 7.635 -12.115 59 H LEU 9 HN LEU 9 2.922 5.851 -10.608 60 HA LEU 9 HA LEU 9 0.745 6.856 -9.169 61 HB2 LEU 9 HB2 LEU 9 1.695 4.287 -9.949 62 HB3 LEU 9 HB3 LEU 9 0.982 4.278 -8.337 63 HG LEU 9 HG LEU 9 -0.576 4.023 -10.067 64 HD11 LEU 9 HD11 LEU 9 -2.307 5.788 -9.454 65 HD12 LEU 9 HD12 LEU 9 -1.092 6.420 -8.356 66 HD13 LEU 9 HD13 LEU 9 -1.643 4.743 -8.191 67 HD21 LEU 9 HD21 LEU 9 -1.252 5.496 -11.740 68 HD22 LEU 9 HD22 LEU 9 0.494 5.284 -11.825 69 HD23 LEU 9 HD23 LEU 9 -0.201 6.782 -11.130 70 H LEU 10 HN LEU 10 3.851 5.573 -8.189 71 HA LEU 10 HA LEU 10 3.362 5.495 -5.339 72 HB2 LEU 10 HB2 LEU 10 5.865 5.367 -7.049 73 HB3 LEU 10 HB3 LEU 10 5.898 5.210 -5.296 74 HG LEU 10 HG LEU 10 4.015 3.441 -6.889 75 HD11 LEU 10 HD11 LEU 10 6.015 3.023 -8.086 76 HD12 LEU 10 HD12 LEU 10 5.861 1.701 -6.939 77 HD13 LEU 10 HD13 LEU 10 6.993 3.041 -6.627 78 HD21 LEU 10 HD21 LEU 10 3.760 3.354 -4.506 79 HD22 LEU 10 HD22 LEU 10 5.516 3.137 -4.262 80 HD23 LEU 10 HD23 LEU 10 4.551 1.867 -5.031 81 H TRP 11 HN TRP 11 5.222 7.767 -7.478 82 HA TRP 11 HA TRP 11 5.871 9.604 -5.432 83 HB2 TRP 11 HB2 TRP 11 5.683 9.757 -8.426 84 HB3 TRP 11 HB3 TRP 11 5.755 11.257 -7.515 85 HD1 TRP 11 HD1 TRP 11 8.011 8.940 -9.093 86 HE1 TRP 11 HE1 TRP 11 10.424 9.217 -8.239 87 HE3 TRP 11 HE3 TRP 11 7.102 11.850 -4.986 88 HZ2 TRP 11 HZ2 TRP 11 11.739 10.294 -5.928 89 HZ3 TRP 11 HZ3 TRP 11 8.968 12.525 -3.480 90 HH2 TRP 11 HH2 TRP 11 11.281 11.738 -3.923 91 H ALA 12 HN ALA 12 2.866 9.299 -7.344 92 HA ALA 12 HA ALA 12 1.738 11.793 -6.780 93 HB1 ALA 12 HB1 ALA 12 0.787 10.175 -8.341 94 HB2 ALA 12 HB2 ALA 12 0.378 9.074 -7.016 95 HB3 ALA 12 HB3 ALA 12 -0.434 10.639 -7.146 96 H ILE 13 HN ILE 13 1.826 8.891 -4.678 97 HA ILE 13 HA ILE 13 0.118 10.057 -2.676 98 HB ILE 13 HB ILE 13 2.023 7.713 -2.404 99 HG12 ILE 13 HG12 ILE 13 -0.819 6.985 -2.620 100 HG13 ILE 13 HG13 ILE 13 -0.351 7.917 -4.033 101 HG21 ILE 13 HG21 ILE 13 -0.457 8.551 -0.858 102 HG22 ILE 13 HG22 ILE 13 0.481 7.059 -0.590 103 HG23 ILE 13 HG23 ILE 13 1.226 8.641 -0.283 104 HD11 ILE 13 HD11 ILE 13 0.029 5.662 -4.542 105 HD12 ILE 13 HD12 ILE 13 1.627 6.425 -4.296 106 HD13 ILE 13 HD13 ILE 13 0.953 5.383 -3.051 107 H LEU 14 HN LEU 14 3.752 9.568 -2.964 108 HA LEU 14 HA LEU 14 4.559 10.740 -0.599 109 HB2 LEU 14 HB2 LEU 14 5.698 10.453 -3.388 110 HB3 LEU 14 HB3 LEU 14 6.577 11.373 -2.178 111 HG LEU 14 HG LEU 14 6.858 9.544 -0.773 112 HD11 LEU 14 HD11 LEU 14 4.780 8.386 -0.729 113 HD12 LEU 14 HD12 LEU 14 6.064 7.254 -1.155 114 HD13 LEU 14 HD13 LEU 14 5.009 7.900 -2.429 115 HD21 LEU 14 HD21 LEU 14 8.125 7.986 -2.209 116 HD22 LEU 14 HD22 LEU 14 8.278 9.628 -2.864 117 HD23 LEU 14 HD23 LEU 14 7.170 8.472 -3.619 118 H LYS 15 HN LYS 15 3.768 12.322 -3.720 119 HA LYS 15 HA LYS 15 4.437 14.963 -2.776 120 HB2 LYS 15 HB2 LYS 15 2.689 14.078 -5.122 121 HB3 LYS 15 HB3 LYS 15 3.107 15.751 -4.758 122 HG2 LYS 15 HG2 LYS 15 4.968 13.545 -5.694 123 HG3 LYS 15 HG3 LYS 15 4.539 15.049 -6.497 124 HD2 LYS 15 HD2 LYS 15 5.688 16.249 -4.503 125 HD3 LYS 15 HD3 LYS 15 6.299 14.646 -4.058 126 HE2 LYS 15 HE2 LYS 15 8.048 15.318 -5.354 127 HE3 LYS 15 HE3 LYS 15 7.056 14.546 -6.600 128 HZ1 LYS 15 HZ1 LYS 15 7.224 17.440 -5.993 129 HZ2 LYS 15 HZ2 LYS 15 6.211 16.824 -7.127 130 HZ3 LYS 15 HZ3 LYS 15 7.827 16.662 -7.326 131 H ASP 16 HN ASP 16 1.104 13.973 -3.721 132 HA ASP 16 HA ASP 16 -0.153 14.533 -1.295 133 HB2 ASP 16 HB2 ASP 16 0.922 16.953 -2.443 134 HB3 ASP 16 HB3 ASP 16 -0.781 17.033 -2.715 135 H GLU 17 HN GLU 17 -0.424 13.580 -4.589 136 HA GLU 17 HA GLU 17 -2.790 14.900 -5.353 137 HB2 GLU 17 HB2 GLU 17 -1.003 14.371 -6.879 138 HB3 GLU 17 HB3 GLU 17 -0.889 12.708 -6.291 139 HG2 GLU 17 HG2 GLU 17 -3.144 12.281 -7.096 140 HG3 GLU 17 HG3 GLU 17 -3.179 13.899 -7.840 141 H LEU 18 HN LEU 18 -1.831 11.596 -4.306 142 HA LEU 18 HA LEU 18 -4.559 10.588 -4.339 143 HB2 LEU 18 HB2 LEU 18 -1.970 9.615 -3.138 144 HB3 LEU 18 HB3 LEU 18 -3.453 9.025 -2.451 145 HG LEU 18 HG LEU 18 -2.638 7.504 -3.982 146 HD11 LEU 18 HD11 LEU 18 -4.574 6.874 -5.149 147 HD12 LEU 18 HD12 LEU 18 -5.153 8.558 -5.193 148 HD13 LEU 18 HD13 LEU 18 -4.992 7.639 -3.661 149 HD21 LEU 18 HD21 LEU 18 -1.483 9.103 -5.576 150 HD22 LEU 18 HD22 LEU 18 -3.075 9.517 -6.245 151 HD23 LEU 18 HD23 LEU 18 -2.442 7.874 -6.415 152 H SER 19 HN SER 19 -5.548 9.973 -2.366 153 HA SER 19 HA SER 19 -5.388 12.056 -0.213 154 HB2 SER 19 HB2 SER 19 -7.951 11.264 -1.647 155 HB3 SER 19 HB3 SER 19 -7.868 12.198 -0.143 156 HG SER 19 HG SER 19 -6.725 12.919 -2.647 157 H ASP 20 HN ASP 20 -7.259 11.171 1.505 158 HA ASP 20 HA ASP 20 -6.034 8.881 2.691 159 HB2 ASP 20 HB2 ASP 20 -8.264 9.081 4.138 160 HB3 ASP 20 HB3 ASP 20 -6.926 10.206 4.303 161 H ALA 21 HN ALA 21 -9.403 9.266 1.541 162 HA ALA 21 HA ALA 21 -9.938 6.484 1.451 163 HB1 ALA 21 HB1 ALA 21 -11.251 8.776 -0.072 164 HB2 ALA 21 HB2 ALA 21 -11.952 7.161 0.164 165 HB3 ALA 21 HB3 ALA 21 -11.679 8.224 1.562 166 H GLU 22 HN GLU 22 -8.216 8.443 -0.832 167 HA GLU 22 HA GLU 22 -8.714 6.680 -3.129 168 HB2 GLU 22 HB2 GLU 22 -6.753 8.928 -2.885 169 HB3 GLU 22 HB3 GLU 22 -7.236 8.094 -4.367 170 HG2 GLU 22 HG2 GLU 22 -9.169 9.679 -2.655 171 HG3 GLU 22 HG3 GLU 22 -8.192 10.362 -3.941 172 H ALA 23 HN ALA 23 -5.936 7.484 -0.913 173 HA ALA 23 HA ALA 23 -4.072 5.756 -2.210 174 HB1 ALA 23 HB1 ALA 23 -2.686 6.116 -0.205 175 HB2 ALA 23 HB2 ALA 23 -3.391 7.647 -0.731 176 HB3 ALA 23 HB3 ALA 23 -4.079 6.794 0.666 177 H ASN 24 HN ASN 24 -6.374 5.317 0.399 178 HA ASN 24 HA ASN 24 -5.567 2.654 1.248 179 HB2 ASN 24 HB2 ASN 24 -8.041 4.365 1.532 180 HB3 ASN 24 HB3 ASN 24 -8.197 2.635 1.732 181 HD21 ASN 24 HD21 ASN 24 -8.840 4.257 3.911 182 HD22 ASN 24 HD22 ASN 24 -7.603 4.030 5.125 183 H ALA 25 HN ALA 25 -7.983 3.871 -1.146 184 HA ALA 25 HA ALA 25 -8.850 1.421 -2.061 185 HB1 ALA 25 HB1 ALA 25 -8.504 3.908 -3.769 186 HB2 ALA 25 HB2 ALA 25 -9.596 2.548 -4.068 187 HB3 ALA 25 HB3 ALA 25 -9.855 3.601 -2.657 188 H LEU 26 HN LEU 26 -5.942 3.247 -3.499 189 HA LEU 26 HA LEU 26 -5.356 1.302 -5.423 190 HB2 LEU 26 HB2 LEU 26 -3.444 2.963 -3.730 191 HB3 LEU 26 HB3 LEU 26 -3.038 2.118 -5.217 192 HG LEU 26 HG LEU 26 -4.935 4.475 -5.006 193 HD11 LEU 26 HD11 LEU 26 -3.058 5.589 -6.283 194 HD12 LEU 26 HD12 LEU 26 -2.068 4.147 -6.002 195 HD13 LEU 26 HD13 LEU 26 -2.630 5.127 -4.629 196 HD21 LEU 26 HD21 LEU 26 -5.613 3.015 -6.882 197 HD22 LEU 26 HD22 LEU 26 -3.937 2.996 -7.485 198 HD23 LEU 26 HD23 LEU 26 -4.878 4.502 -7.472 199 H VAL 27 HN VAL 27 -4.683 1.046 -1.892 200 HA VAL 27 HA VAL 27 -2.894 -1.250 -2.317 201 HB VAL 27 HB VAL 27 -4.292 -0.163 0.169 202 HG11 VAL 27 HG11 VAL 27 -2.615 -1.628 1.398 203 HG12 VAL 27 HG12 VAL 27 -3.939 -2.492 0.605 204 HG13 VAL 27 HG13 VAL 27 -2.325 -2.463 -0.133 205 HG21 VAL 27 HG21 VAL 27 -1.394 -0.014 -0.787 206 HG22 VAL 27 HG22 VAL 27 -2.553 1.338 -0.709 207 HG23 VAL 27 HG23 VAL 27 -2.018 0.551 0.775 208 H TRP 28 HN TRP 28 -6.313 -0.660 -1.471 209 HA TRP 28 HA TRP 28 -7.001 -3.337 -0.948 210 HB2 TRP 28 HB2 TRP 28 -8.717 -1.006 -1.870 211 HB3 TRP 28 HB3 TRP 28 -9.305 -2.463 -1.102 212 HD1 TRP 28 HD1 TRP 28 -6.438 -1.921 0.966 213 HE1 TRP 28 HE1 TRP 28 -6.956 -0.536 3.088 214 HE3 TRP 28 HE3 TRP 28 -10.881 0.163 -0.462 215 HZ2 TRP 28 HZ2 TRP 28 -9.150 0.930 4.141 216 HZ3 TRP 28 HZ3 TRP 28 -12.235 1.449 1.172 217 HH2 TRP 28 HH2 TRP 28 -11.400 1.794 3.486 218 H GLN 29 HN GLN 29 -7.136 -1.482 -4.021 219 HA GLN 29 HA GLN 29 -8.251 -3.615 -5.581 220 HB2 GLN 29 HB2 GLN 29 -7.209 -2.461 -7.553 221 HB3 GLN 29 HB3 GLN 29 -8.284 -1.479 -6.569 222 HG2 GLN 29 HG2 GLN 29 -6.556 -0.245 -5.780 223 HG3 GLN 29 HG3 GLN 29 -5.307 -1.432 -6.166 224 HE21 GLN 29 HE21 GLN 29 -7.787 0.415 -8.113 225 HE22 GLN 29 HE22 GLN 29 -6.609 0.898 -9.294 226 H ALA 30 HN ALA 30 -4.833 -2.774 -4.869 227 HA ALA 30 HA ALA 30 -3.610 -4.623 -6.576 228 HB1 ALA 30 HB1 ALA 30 -1.598 -4.229 -5.206 229 HB2 ALA 30 HB2 ALA 30 -2.440 -2.725 -5.609 230 HB3 ALA 30 HB3 ALA 30 -2.591 -3.408 -3.984 231 H LEU 31 HN LEU 31 -4.446 -5.061 -3.072 232 HA LEU 31 HA LEU 31 -3.519 -7.798 -3.031 233 HB2 LEU 31 HB2 LEU 31 -5.546 -6.324 -1.309 234 HB3 LEU 31 HB3 LEU 31 -5.311 -8.053 -1.186 235 HG LEU 31 HG LEU 31 -4.015 -7.201 0.546 236 HD11 LEU 31 HD11 LEU 31 -1.754 -7.777 0.131 237 HD12 LEU 31 HD12 LEU 31 -1.966 -7.626 -1.613 238 HD13 LEU 31 HD13 LEU 31 -2.805 -8.915 -0.720 239 HD21 LEU 31 HD21 LEU 31 -3.072 -5.100 -1.375 240 HD22 LEU 31 HD22 LEU 31 -2.368 -5.365 0.221 241 HD23 LEU 31 HD23 LEU 31 -4.105 -4.932 0.051 242 H GLY 32 HN GLY 32 -6.774 -6.385 -3.565 243 HA2 GLY 32 HA2 GLY 32 -7.857 -7.341 -5.625 244 HA3 GLY 32 HA1 GLY 32 -7.521 -8.920 -4.951 245 H TYR 33 HN TYR 33 -8.560 -6.458 -2.652 246 HA TYR 33 HA TYR 33 -10.877 -8.078 -2.002 247 HB2 TYR 33 HB2 TYR 33 -9.951 -5.332 -1.094 248 HB3 TYR 33 HB3 TYR 33 -11.388 -6.130 -0.487 249 HD1 TYR 33 HD2 TYR 33 -7.686 -6.295 -0.567 250 HD2 TYR 33 HD1 TYR 33 -11.304 -7.864 1.173 251 HE1 TYR 33 HE2 TYR 33 -6.344 -7.324 1.230 252 HE2 TYR 33 HE1 TYR 33 -10.017 -8.867 2.998 253 HH TYR 33 HH TYR 33 -7.847 -9.189 3.911 254 H VAL 34 HN VAL 34 -10.223 -5.274 -3.856 255 HA VAL 34 HA VAL 34 -11.593 -3.926 -5.211 256 HB VAL 34 HB VAL 34 -10.323 -5.370 -6.474 257 HG11 VAL 34 HG11 VAL 34 -10.563 -7.564 -6.792 258 HG12 VAL 34 HG12 VAL 34 -11.871 -7.551 -5.590 259 HG13 VAL 34 HG13 VAL 34 -12.254 -7.390 -7.298 260 HG21 VAL 34 HG21 VAL 34 -12.119 -3.832 -7.433 261 HG22 VAL 34 HG22 VAL 34 -11.555 -5.138 -8.525 262 HG23 VAL 34 HG23 VAL 34 -13.109 -5.271 -7.680 263 H TRP 35 HN TRP 35 -13.264 -3.002 -4.282 264 HA TRP 35 HA TRP 35 -15.453 -3.999 -3.084 265 HB2 TRP 35 HB2 TRP 35 -14.833 -1.685 -3.129 266 HB3 TRP 35 HB3 TRP 35 -15.212 -1.531 -4.827 267 HD1 TRP 35 HD1 TRP 35 -17.607 -1.232 -5.630 268 HE1 TRP 35 HE1 TRP 35 -19.902 -1.102 -4.596 269 HE3 TRP 35 HE3 TRP 35 -16.295 -2.292 -0.823 270 HZ2 TRP 35 HZ2 TRP 35 -21.079 -1.483 -1.926 271 HZ3 TRP 35 HZ3 TRP 35 -18.016 -2.373 0.974 272 HH2 TRP 35 HH2 TRP 35 -20.400 -1.954 0.428 273 H ASP 36 HN ASP 36 -17.033 -5.461 -3.712 274 HA ASP 36 HA ASP 36 -17.821 -5.509 -6.526 275 HB2 ASP 36 HB2 ASP 36 -17.461 -7.564 -4.753 276 HB3 ASP 36 HB3 ASP 36 -19.196 -7.339 -4.656 277 H GLU 37 HN GLU 37 -18.890 -3.766 -6.860 278 HA GLU 37 HA GLU 37 -20.919 -2.531 -5.347 279 HB2 GLU 37 HB2 GLU 37 -19.600 -1.598 -7.176 280 HB3 GLU 37 HB3 GLU 37 -20.301 -2.725 -8.309 281 HG2 GLU 37 HG2 GLU 37 -22.534 -1.637 -7.988 282 HG3 GLU 37 HG3 GLU 37 -21.733 -0.436 -6.933 283 H ALA 38 HN ALA 38 -21.071 -5.462 -7.286 284 HA ALA 38 HA ALA 38 -23.961 -5.482 -7.514 285 HB1 ALA 38 HB1 ALA 38 -23.698 -7.798 -8.194 286 HB2 ALA 38 HB2 ALA 38 -22.316 -6.918 -8.892 287 HB3 ALA 38 HB3 ALA 38 -22.108 -7.926 -7.441 288 H GLN 39 HN GLN 39 -21.557 -6.708 -5.185 289 HA GLN 39 HA GLN 39 -23.622 -8.235 -3.724 290 HB2 GLN 39 HB2 GLN 39 -20.643 -8.171 -3.071 291 HB3 GLN 39 HB3 GLN 39 -21.840 -9.354 -2.643 292 HG2 GLN 39 HG2 GLN 39 -21.973 -10.055 -4.969 293 HG3 GLN 39 HG3 GLN 39 -20.844 -8.798 -5.420 294 HE21 GLN 39 HE21 GLN 39 -21.072 -11.819 -4.792 295 HE22 GLN 39 HE22 GLN 39 -19.437 -12.358 -4.369 296 H SER 40 HN SER 40 -22.236 -5.179 -3.699 297 HA SER 40 HA SER 40 -21.950 -3.500 -2.397 298 HB2 SER 40 HB2 SER 40 -23.936 -4.569 -0.409 299 HB3 SER 40 HB3 SER 40 -23.537 -2.889 -0.782 300 HG SER 40 HG SER 40 -25.297 -4.629 -1.945 301 H CYS 41 HN CYS 41 -20.130 -5.647 -2.119 302 HA CYS 41 HA CYS 41 -19.183 -5.279 0.631 303 HB2 CYS 41 HB2 CYS 41 -19.848 -7.987 -0.600 304 HB3 CYS 41 HB3 CYS 41 -18.799 -7.805 0.809 305 HG CYS 41 HG CYS 41 -21.207 -8.690 1.458 306 H TRP 42 HN TRP 42 -17.019 -6.087 0.868 307 HA TRP 42 HA TRP 42 -15.284 -5.743 -1.411 308 HB2 TRP 42 HB2 TRP 42 -14.844 -6.911 1.369 309 HB3 TRP 42 HB3 TRP 42 -13.575 -6.507 0.216 310 HD1 TRP 42 HD1 TRP 42 -15.729 -4.876 2.901 311 HE1 TRP 42 HE1 TRP 42 -15.569 -2.321 2.789 312 HE3 TRP 42 HE3 TRP 42 -13.004 -4.393 -1.424 313 HZ2 TRP 42 HZ2 TRP 42 -14.326 -0.333 1.121 314 HZ3 TRP 42 HZ3 TRP 42 -12.364 -2.130 -2.252 315 HH2 TRP 42 HH2 TRP 42 -13.084 -0.102 -1.004 316 H LYS 43 HN LYS 43 -14.727 -7.375 -2.940 317 HA LYS 43 HA LYS 43 -15.833 -9.972 -2.988 318 HB2 LYS 43 HB2 LYS 43 -15.173 -8.107 -4.801 319 HB3 LYS 43 HB3 LYS 43 -13.524 -8.704 -4.490 320 HG2 LYS 43 HG2 LYS 43 -14.620 -10.985 -4.708 321 HG3 LYS 43 HG3 LYS 43 -15.972 -10.146 -5.491 322 HD2 LYS 43 HD2 LYS 43 -13.048 -9.978 -6.386 323 HD3 LYS 43 HD3 LYS 43 -14.243 -11.127 -7.052 324 HE2 LYS 43 HE2 LYS 43 -15.716 -9.164 -7.559 325 HE3 LYS 43 HE3 LYS 43 -14.410 -8.079 -7.094 326 HZ1 LYS 43 HZ1 LYS 43 -14.304 -10.079 -9.267 327 HZ2 LYS 43 HZ2 LYS 43 -13.161 -8.928 -8.963 328 HZ3 LYS 43 HZ3 LYS 43 -14.665 -8.489 -9.483 329 H THR 44 HN THR 44 -14.270 -11.874 -2.780 330 HA THR 44 HA THR 44 -11.541 -10.994 -2.084 331 HB THR 44 HB THR 44 -11.161 -12.409 -0.325 332 HG1 THR 44 HG1 THR 44 -13.745 -13.520 -0.647 333 HG21 THR 44 HG21 THR 44 -13.816 -11.107 0.322 334 HG22 THR 44 HG22 THR 44 -12.190 -10.371 0.442 335 HG23 THR 44 HG23 THR 44 -12.613 -11.760 1.437 336 H ASP 45 HN ASP 45 -13.261 -12.611 -4.396 337 HA ASP 45 HA ASP 45 -12.012 -15.109 -4.638 338 HB2 ASP 45 HB2 ASP 45 -12.867 -13.148 -6.804 339 HB3 ASP 45 HB3 ASP 45 -12.625 -14.876 -7.024 340 H LEU 46 HN LEU 46 -11.024 -11.853 -5.371 341 HA LEU 46 HA LEU 46 -8.917 -12.741 -7.162 342 HB2 LEU 46 HB2 LEU 46 -10.233 -10.038 -6.697 343 HB3 LEU 46 HB3 LEU 46 -8.833 -10.232 -7.735 344 HG LEU 46 HG LEU 46 -11.576 -11.444 -8.186 345 HD11 LEU 46 HD11 LEU 46 -11.566 -10.026 -10.177 346 HD12 LEU 46 HD12 LEU 46 -9.913 -9.496 -9.840 347 HD13 LEU 46 HD13 LEU 46 -11.217 -9.014 -8.748 348 HD21 LEU 46 HD21 LEU 46 -10.033 -13.121 -8.969 349 HD22 LEU 46 HD22 LEU 46 -8.960 -11.902 -9.698 350 HD23 LEU 46 HD23 LEU 46 -10.564 -12.226 -10.386 351 H VAL 47 HN VAL 47 -8.930 -12.527 -4.001 352 HA VAL 47 HA VAL 47 -6.270 -11.292 -3.825 353 HB VAL 47 HB VAL 47 -7.616 -9.802 -2.808 354 HG11 VAL 47 HG11 VAL 47 -9.157 -11.693 -1.232 355 HG12 VAL 47 HG12 VAL 47 -9.175 -9.919 -1.069 356 HG13 VAL 47 HG13 VAL 47 -9.640 -10.645 -2.592 357 HG21 VAL 47 HG21 VAL 47 -6.893 -9.685 -0.463 358 HG22 VAL 47 HG22 VAL 47 -6.672 -11.425 -0.412 359 HG23 VAL 47 HG23 VAL 47 -5.572 -10.433 -1.388 360 H ALA 48 HN ALA 48 -4.764 -12.244 -2.323 361 HA ALA 48 HA ALA 48 -4.742 -15.091 -2.571 362 HB1 ALA 48 HB1 ALA 48 -3.006 -13.214 -0.887 363 HB2 ALA 48 HB2 ALA 48 -2.631 -14.902 -1.281 364 HB3 ALA 48 HB3 ALA 48 -2.691 -13.693 -2.574 365 HA PRO 49 HA PRO 49 -7.182 -16.057 0.874 366 HB2 PRO 49 HB2 PRO 49 -6.305 -18.501 1.746 367 HB3 PRO 49 HB3 PRO 49 -7.220 -18.230 0.231 368 HG2 PRO 49 HG2 PRO 49 -4.256 -18.549 0.601 369 HG3 PRO 49 HG3 PRO 49 -5.298 -19.248 -0.678 370 HD2 PRO 49 HD2 PRO 49 -3.735 -17.006 -1.033 371 HD3 PRO 49 HD3 PRO 49 -5.272 -17.243 -1.899 372 H GLU 50 HN GLU 50 -3.664 -16.355 1.543 373 HA GLU 50 HA GLU 50 -3.736 -16.162 4.310 374 HB2 GLU 50 HB2 GLU 50 -1.447 -15.504 4.162 375 HB3 GLU 50 HB3 GLU 50 -1.762 -16.679 2.896 376 HG2 GLU 50 HG2 GLU 50 -1.833 -14.835 1.225 377 HG3 GLU 50 HG3 GLU 50 -1.620 -13.650 2.515 378 H TRP 51 HN TRP 51 -4.612 -13.678 2.043 379 HA TRP 51 HA TRP 51 -4.349 -11.555 4.088 380 HB2 TRP 51 HB2 TRP 51 -4.732 -11.487 1.103 381 HB3 TRP 51 HB3 TRP 51 -5.330 -10.162 2.090 382 HD1 TRP 51 HD1 TRP 51 -2.097 -11.808 1.027 383 HE1 TRP 51 HE1 TRP 51 -0.063 -10.431 1.847 384 HE3 TRP 51 HE3 TRP 51 -4.590 -8.104 3.521 385 HZ2 TRP 51 HZ2 TRP 51 0.391 -7.906 3.282 386 HZ3 TRP 51 HZ3 TRP 51 -3.371 -6.297 4.622 387 HH2 TRP 51 HH2 TRP 51 -0.882 -6.186 4.533 388 H ARG 52 HN ARG 52 -6.873 -12.972 1.873 389 HA ARG 52 HA ARG 52 -8.897 -11.420 3.191 390 HB2 ARG 52 HB2 ARG 52 -10.528 -12.615 1.949 391 HB3 ARG 52 HB3 ARG 52 -9.184 -12.109 0.947 392 HG2 ARG 52 HG2 ARG 52 -8.624 -14.804 1.818 393 HG3 ARG 52 HG3 ARG 52 -10.326 -14.750 1.360 394 HD2 ARG 52 HD2 ARG 52 -9.539 -13.575 -0.819 395 HD3 ARG 52 HD3 ARG 52 -7.924 -13.905 -0.328 396 HE ARG 52 HE ARG 52 -8.169 -15.892 -1.348 397 HH11 ARG 52 HH11 ARG 52 -11.485 -14.901 -0.465 398 HH12 ARG 52 HH12 ARG 52 -12.203 -16.257 -1.208 399 HH21 ARG 52 HH21 ARG 52 -9.109 -17.704 -2.169 400 HH22 ARG 52 HH22 ARG 52 -10.836 -17.936 -2.160 401 H GLN 53 HN GLN 53 -7.391 -14.284 4.244 402 HA GLN 53 HA GLN 53 -9.056 -15.969 5.374 403 HB2 GLN 53 HB2 GLN 53 -6.354 -14.904 5.877 404 HB3 GLN 53 HB3 GLN 53 -7.094 -15.413 7.379 405 HG2 GLN 53 HG2 GLN 53 -7.426 -17.631 6.613 406 HG3 GLN 53 HG3 GLN 53 -6.919 -17.223 4.972 407 HE21 GLN 53 HE21 GLN 53 -5.377 -19.099 5.534 408 HE22 GLN 53 HE22 GLN 53 -3.826 -18.661 6.302 409 H ASP 54 HN ASP 54 -8.097 -12.922 7.028 410 HA ASP 54 HA ASP 54 -10.058 -13.522 9.185 411 HB2 ASP 54 HB2 ASP 54 -7.184 -12.520 9.335 412 HB3 ASP 54 HB3 ASP 54 -8.298 -12.580 10.698 413 H TYR 55 HN TYR 55 -9.927 -11.602 6.746 414 HA TYR 55 HA TYR 55 -9.855 -8.947 8.129 415 HB2 TYR 55 HB2 TYR 55 -8.830 -9.878 5.454 416 HB3 TYR 55 HB3 TYR 55 -9.305 -8.204 5.689 417 HD1 TYR 55 HD1 TYR 55 -7.353 -10.591 7.941 418 HD2 TYR 55 HD2 TYR 55 -7.340 -6.916 5.674 419 HE1 TYR 55 HE1 TYR 55 -5.313 -9.928 9.043 420 HE2 TYR 55 HE2 TYR 55 -5.326 -6.225 6.815 421 HH TYR 55 HH TYR 55 -3.976 -6.638 8.722 422 HA PRO 56 HA PRO 56 -14.143 -9.627 6.425 423 HB2 PRO 56 HB2 PRO 56 -15.610 -8.669 8.549 424 HB3 PRO 56 HB3 PRO 56 -14.967 -10.335 8.462 425 HG2 PRO 56 HG2 PRO 56 -13.735 -7.936 9.846 426 HG3 PRO 56 HG3 PRO 56 -13.997 -9.582 10.511 427 HD2 PRO 56 HD2 PRO 56 -11.599 -8.838 9.509 428 HD3 PRO 56 HD3 PRO 56 -12.221 -10.486 9.214 429 H GLU 57 HN GLU 57 -12.264 -6.895 7.215 430 HA GLU 57 HA GLU 57 -13.861 -5.228 5.425 431 HB2 GLU 57 HB2 GLU 57 -13.225 -4.532 8.310 432 HB3 GLU 57 HB3 GLU 57 -13.206 -3.257 7.101 433 HG2 GLU 57 HG2 GLU 57 -15.527 -3.927 6.376 434 HG3 GLU 57 HG3 GLU 57 -15.561 -5.062 7.739 435 HA PRO 58 HA PRO 58 -9.806 -4.581 3.977 436 HB2 PRO 58 HB2 PRO 58 -9.772 -2.153 2.834 437 HB3 PRO 58 HB3 PRO 58 -10.876 -3.423 2.243 438 HG2 PRO 58 HG2 PRO 58 -11.533 -1.206 4.221 439 HG3 PRO 58 HG3 PRO 58 -12.391 -1.613 2.702 440 HD2 PRO 58 HD2 PRO 58 -13.222 -2.614 5.070 441 HD3 PRO 58 HD3 PRO 58 -13.204 -3.660 3.622 442 HA PRO 59 HA PRO 59 -7.463 -2.603 7.131 443 HB2 PRO 59 HB2 PRO 59 -4.973 -2.342 6.053 444 HB3 PRO 59 HB3 PRO 59 -5.746 -3.911 6.452 445 HG2 PRO 59 HG2 PRO 59 -5.580 -2.583 3.736 446 HG3 PRO 59 HG3 PRO 59 -5.263 -4.295 4.173 447 HD2 PRO 59 HD2 PRO 59 -7.643 -3.385 3.156 448 HD3 PRO 59 HD3 PRO 59 -7.540 -4.775 4.279 449 H ASP 60 HN ASP 60 -8.092 -0.652 7.692 450 HA ASP 60 HA ASP 60 -7.476 1.832 6.249 451 HB2 ASP 60 HB2 ASP 60 -9.404 1.466 7.905 452 HB3 ASP 60 HB3 ASP 60 -8.211 1.541 9.207 453 H PHE 61 HN PHE 61 -5.234 2.078 5.997 454 HA PHE 61 HA PHE 61 -3.412 1.472 8.243 455 HB2 PHE 61 HB2 PHE 61 -2.837 2.790 5.575 456 HB3 PHE 61 HB3 PHE 61 -1.637 2.209 6.715 457 HD1 PHE 61 HD1 PHE 61 -4.185 1.162 4.226 458 HD2 PHE 61 HD2 PHE 61 -1.059 -0.154 6.919 459 HE1 PHE 61 HE1 PHE 61 -4.115 -1.010 3.101 460 HE2 PHE 61 HE2 PHE 61 -1.035 -2.353 5.799 461 HZ PHE 61 HZ PHE 61 -2.569 -2.785 3.898 462 H ILE 62 HN ILE 62 -5.456 4.099 7.730 463 HA ILE 62 HA ILE 62 -3.400 6.194 8.206 464 HB ILE 62 HB ILE 62 -6.384 6.378 7.558 465 HG12 ILE 62 HG12 ILE 62 -3.975 6.947 5.770 466 HG13 ILE 62 HG13 ILE 62 -4.881 5.433 5.706 467 HG21 ILE 62 HG21 ILE 62 -4.240 8.557 7.610 468 HG22 ILE 62 HG22 ILE 62 -5.961 8.772 7.194 469 HG23 ILE 62 HG23 ILE 62 -5.505 8.339 8.838 470 HD11 ILE 62 HD11 ILE 62 -5.978 8.162 5.029 471 HD12 ILE 62 HD12 ILE 62 -5.603 6.832 3.920 472 HD13 ILE 62 HD13 ILE 62 -6.928 6.653 5.083 473 H ALA 63 HN ALA 63 -6.557 5.027 9.533 474 HA ALA 63 HA ALA 63 -6.034 6.219 12.163 475 HB1 ALA 63 HB1 ALA 63 -7.998 4.878 12.862 476 HB2 ALA 63 HB2 ALA 63 -8.338 5.849 11.419 477 HB3 ALA 63 HB3 ALA 63 -8.052 4.109 11.260 478 H SER 64 HN SER 64 -6.266 2.834 10.964 479 HA SER 64 HA SER 64 -5.014 1.913 13.438 480 HB2 SER 64 HB2 SER 64 -7.213 1.125 12.021 481 HB3 SER 64 HB3 SER 64 -6.006 0.030 11.354 482 HG SER 64 HG SER 64 -6.893 0.382 14.022 483 H ARG 65 HN ARG 65 -3.503 -0.115 13.207 484 HA ARG 65 HA ARG 65 -2.177 -0.223 10.649 485 HB2 ARG 65 HB2 ARG 65 0.158 -0.028 11.534 486 HB3 ARG 65 HB3 ARG 65 -0.795 1.434 11.542 487 HG2 ARG 65 HG2 ARG 65 0.583 1.440 13.451 488 HG3 ARG 65 HG3 ARG 65 -1.091 1.323 13.961 489 HD2 ARG 65 HD2 ARG 65 -0.777 -1.125 14.354 490 HD3 ARG 65 HD3 ARG 65 0.868 -0.994 13.740 491 HE ARG 65 HE ARG 65 -0.093 0.466 16.174 492 HH11 ARG 65 HH11 ARG 65 2.314 -1.680 14.646 493 HH12 ARG 65 HH12 ARG 65 2.909 -2.293 16.147 494 HH21 ARG 65 HH21 ARG 65 0.904 -0.192 18.197 495 HH22 ARG 65 HH22 ARG 65 2.277 -1.216 18.172 496 HA PRO 66 HA PRO 66 -2.447 -4.264 12.985 497 HB2 PRO 66 HB2 PRO 66 -4.559 -5.476 11.677 498 HB3 PRO 66 HB3 PRO 66 -4.753 -4.477 13.148 499 HG2 PRO 66 HG2 PRO 66 -5.085 -3.624 10.249 500 HG3 PRO 66 HG3 PRO 66 -6.180 -3.306 11.611 501 HD2 PRO 66 HD2 PRO 66 -4.440 -1.413 10.902 502 HD3 PRO 66 HD3 PRO 66 -4.735 -1.786 12.616 503 H ALA 67 HN ALA 67 -3.318 -3.610 9.564 504 HA ALA 67 HA ALA 67 -2.084 -6.014 8.562 505 HB1 ALA 67 HB1 ALA 67 -2.873 -3.545 6.979 506 HB2 ALA 67 HB2 ALA 67 -2.790 -5.220 6.429 507 HB3 ALA 67 HB3 ALA 67 -4.053 -4.713 7.582 508 H THR 68 HN THR 68 -0.789 -2.839 9.330 509 HA THR 68 HA THR 68 1.374 -2.750 7.581 510 HB THR 68 HB THR 68 1.136 -1.936 10.505 511 HG1 THR 68 HG1 THR 68 0.583 0.096 9.403 512 HG21 THR 68 HG21 THR 68 3.069 -1.128 8.310 513 HG22 THR 68 HG22 THR 68 3.418 -1.744 9.938 514 HG23 THR 68 HG23 THR 68 2.736 -0.119 9.740 515 H VAL 69 HN VAL 69 0.925 -4.819 10.487 516 HA VAL 69 HA VAL 69 3.570 -5.925 10.535 517 HB VAL 69 HB VAL 69 0.883 -7.109 11.363 518 HG11 VAL 69 HG11 VAL 69 2.109 -8.620 12.793 519 HG12 VAL 69 HG12 VAL 69 2.740 -8.819 11.152 520 HG13 VAL 69 HG13 VAL 69 3.659 -7.879 12.347 521 HG21 VAL 69 HG21 VAL 69 1.240 -5.012 12.580 522 HG22 VAL 69 HG22 VAL 69 1.579 -6.358 13.672 523 HG23 VAL 69 HG23 VAL 69 2.921 -5.462 12.934 524 H LYS 70 HN LYS 70 0.549 -6.766 8.840 525 HA LYS 70 HA LYS 70 1.499 -9.185 7.718 526 HB2 LYS 70 HB2 LYS 70 -0.878 -8.341 8.221 527 HB3 LYS 70 HB3 LYS 70 -0.818 -7.550 6.645 528 HG2 LYS 70 HG2 LYS 70 -0.529 -9.717 5.529 529 HG3 LYS 70 HG3 LYS 70 -0.293 -10.516 7.083 530 HD2 LYS 70 HD2 LYS 70 -2.652 -9.606 7.721 531 HD3 LYS 70 HD3 LYS 70 -2.837 -9.210 6.034 532 HE2 LYS 70 HE2 LYS 70 -3.840 -11.283 6.157 533 HE3 LYS 70 HE3 LYS 70 -2.231 -11.753 5.621 534 HZ1 LYS 70 HZ1 LYS 70 -2.912 -11.680 8.503 535 HZ2 LYS 70 HZ2 LYS 70 -1.819 -12.659 7.740 536 HZ3 LYS 70 HZ3 LYS 70 -3.416 -12.925 7.572 537 H LEU 71 HN LEU 71 1.325 -5.844 6.451 538 HA LEU 71 HA LEU 71 2.298 -6.323 3.815 539 HB2 LEU 71 HB2 LEU 71 2.969 -3.967 5.636 540 HB3 LEU 71 HB3 LEU 71 3.222 -4.020 3.912 541 HG LEU 71 HG LEU 71 0.603 -3.988 5.302 542 HD11 LEU 71 HD11 LEU 71 0.498 -1.676 4.176 543 HD12 LEU 71 HD12 LEU 71 2.190 -1.902 3.786 544 HD13 LEU 71 HD13 LEU 71 1.690 -1.850 5.485 545 HD21 LEU 71 HD21 LEU 71 0.548 -5.123 2.965 546 HD22 LEU 71 HD22 LEU 71 0.671 -3.445 2.392 547 HD23 LEU 71 HD23 LEU 71 -0.654 -3.911 3.431 548 H THR 72 HN THR 72 3.997 -5.936 6.955 549 HA THR 72 HA THR 72 6.602 -5.626 5.904 550 HB THR 72 HB THR 72 5.578 -6.627 8.577 551 HG1 THR 72 HG1 THR 72 4.904 -4.626 8.417 552 HG21 THR 72 HG21 THR 72 8.362 -5.708 7.819 553 HG22 THR 72 HG22 THR 72 7.841 -7.314 8.415 554 HG23 THR 72 HG23 THR 72 7.755 -5.906 9.484 555 H ARG 73 HN ARG 73 4.720 -8.520 6.614 556 HA ARG 73 HA ARG 73 6.680 -10.487 6.432 557 HB2 ARG 73 HB2 ARG 73 3.986 -10.790 5.066 558 HB3 ARG 73 HB3 ARG 73 4.991 -12.058 5.731 559 HG2 ARG 73 HG2 ARG 73 4.341 -10.155 7.845 560 HG3 ARG 73 HG3 ARG 73 2.874 -10.593 6.979 561 HD2 ARG 73 HD2 ARG 73 4.781 -12.682 8.007 562 HD3 ARG 73 HD3 ARG 73 3.594 -11.878 9.048 563 HE ARG 73 HE ARG 73 2.364 -12.984 6.631 564 HH11 ARG 73 HH11 ARG 73 3.874 -14.190 9.571 565 HH12 ARG 73 HH12 ARG 73 2.482 -15.087 10.120 566 HH21 ARG 73 HH21 ARG 73 0.477 -14.442 7.333 567 HH22 ARG 73 HH22 ARG 73 0.728 -15.318 8.814 568 H SER 74 HN SER 74 4.852 -8.981 3.738 569 HA SER 74 HA SER 74 6.348 -10.240 1.647 570 HB2 SER 74 HB2 SER 74 4.360 -7.929 1.572 571 HB3 SER 74 HB3 SER 74 4.822 -8.999 0.230 572 HG SER 74 HG SER 74 3.398 -10.383 0.923 573 H ILE 75 HN ILE 75 7.336 -7.726 3.662 574 HA ILE 75 HA ILE 75 8.869 -6.360 1.500 575 HB ILE 75 HB ILE 75 8.258 -5.359 4.277 576 HG12 ILE 75 HG12 ILE 75 7.302 -4.069 1.692 577 HG13 ILE 75 HG13 ILE 75 6.333 -5.320 2.436 578 HG21 ILE 75 HG21 ILE 75 9.373 -3.296 3.574 579 HG22 ILE 75 HG22 ILE 75 10.464 -4.633 3.266 580 HG23 ILE 75 HG23 ILE 75 9.592 -3.923 1.917 581 HD11 ILE 75 HD11 ILE 75 5.787 -2.907 3.101 582 HD12 ILE 75 HD12 ILE 75 5.970 -4.071 4.420 583 HD13 ILE 75 HD13 ILE 75 7.261 -2.917 4.055 584 HA PRO 76 HA PRO 76 11.829 -9.206 3.675 585 HB2 PRO 76 HB2 PRO 76 13.332 -9.922 1.551 586 HB3 PRO 76 HB3 PRO 76 11.651 -10.515 1.689 587 HG2 PRO 76 HG2 PRO 76 12.528 -8.111 0.132 588 HG3 PRO 76 HG3 PRO 76 11.621 -9.558 -0.448 589 HD2 PRO 76 HD2 PRO 76 10.249 -7.393 0.370 590 HD3 PRO 76 HD3 PRO 76 9.719 -9.035 0.842 591 H ALA 77 HN ALA 77 14.329 -9.054 3.733 592 HA ALA 77 HA ALA 77 15.079 -6.438 4.536 593 HB1 ALA 77 HB1 ALA 77 17.297 -7.400 4.862 594 HB2 ALA 77 HB2 ALA 77 16.035 -8.489 5.477 595 HB3 ALA 77 HB3 ALA 77 16.844 -8.845 3.941 596 HA PRO 78 HA PRO 78 17.535 -5.994 0.453 597 HB2 PRO 78 HB2 PRO 78 16.822 -7.464 -1.759 598 HB3 PRO 78 HB3 PRO 78 17.998 -8.014 -0.549 599 HG2 PRO 78 HG2 PRO 78 15.016 -8.613 -0.626 600 HG3 PRO 78 HG3 PRO 78 16.370 -9.789 -0.584 601 HD2 PRO 78 HD2 PRO 78 15.253 -9.130 1.686 602 HD3 PRO 78 HD3 PRO 78 17.023 -9.084 1.608 603 H TYR 79 HN TYR 79 14.200 -5.783 1.022 604 HA TYR 79 HA TYR 79 13.805 -3.925 -1.286 605 HB2 TYR 79 HB2 TYR 79 11.839 -5.844 -0.046 606 HB3 TYR 79 HB3 TYR 79 11.383 -4.562 -1.144 607 HD1 TYR 79 HD1 TYR 79 14.060 -4.980 -2.898 608 HD2 TYR 79 HD2 TYR 79 10.792 -7.533 -1.646 609 HE1 TYR 79 HE1 TYR 79 14.343 -6.256 -4.861 610 HE2 TYR 79 HE2 TYR 79 11.034 -8.812 -3.715 611 HH TYR 79 HH TYR 79 12.469 -9.246 -5.622 612 H LYS 80 HN LYS 80 14.635 -3.541 1.633 613 HA LYS 80 HA LYS 80 12.279 -2.136 2.802 614 HB2 LYS 80 HB2 LYS 80 15.201 -1.819 3.676 615 HB3 LYS 80 HB3 LYS 80 13.767 -1.339 4.570 616 HG2 LYS 80 HG2 LYS 80 14.730 -4.155 4.081 617 HG3 LYS 80 HG3 LYS 80 14.648 -3.273 5.587 618 HD2 LYS 80 HD2 LYS 80 12.056 -3.151 5.050 619 HD3 LYS 80 HD3 LYS 80 12.452 -4.433 3.904 620 HE2 LYS 80 HE2 LYS 80 11.733 -5.516 5.878 621 HE3 LYS 80 HE3 LYS 80 13.488 -5.741 5.802 622 HZ1 LYS 80 HZ1 LYS 80 13.682 -3.880 7.397 623 HZ2 LYS 80 HZ2 LYS 80 12.795 -5.103 8.005 624 HZ3 LYS 80 HZ3 LYS 80 12.023 -3.767 7.451 625 H GLN 81 HN GLN 81 15.053 -1.162 0.834 626 HA GLN 81 HA GLN 81 14.368 1.686 1.306 627 HB2 GLN 81 HB2 GLN 81 16.842 0.361 0.174 628 HB3 GLN 81 HB3 GLN 81 16.557 2.096 0.230 629 HG2 GLN 81 HG2 GLN 81 16.188 1.720 2.785 630 HG3 GLN 81 HG3 GLN 81 16.985 0.167 2.500 631 HE21 GLN 81 HE21 GLN 81 18.921 0.799 3.778 632 HE22 GLN 81 HE22 GLN 81 19.923 2.170 3.269 633 H LEU 82 HN LEU 82 13.027 -0.433 -0.710 634 HA LEU 82 HA LEU 82 13.646 0.452 -3.302 635 HB2 LEU 82 HB2 LEU 82 10.954 -0.524 -2.316 636 HB3 LEU 82 HB3 LEU 82 11.378 -0.238 -3.991 637 HG LEU 82 HG LEU 82 12.476 -2.350 -2.152 638 HD11 LEU 82 HD11 LEU 82 10.337 -2.798 -3.315 639 HD12 LEU 82 HD12 LEU 82 11.623 -3.887 -3.867 640 HD13 LEU 82 HD13 LEU 82 11.138 -2.525 -4.881 641 HD21 LEU 82 HD21 LEU 82 13.577 -1.587 -4.873 642 HD22 LEU 82 HD22 LEU 82 13.879 -3.138 -4.062 643 HD23 LEU 82 HD23 LEU 82 14.456 -1.652 -3.315 644 H LEU 83 HN LEU 83 11.898 2.390 -0.934 645 HA LEU 83 HA LEU 83 10.635 4.150 -2.833 646 HB2 LEU 83 HB2 LEU 83 11.626 4.567 0.002 647 HB3 LEU 83 HB3 LEU 83 10.921 5.860 -0.938 648 HG LEU 83 HG LEU 83 9.399 3.263 -0.575 649 HD11 LEU 83 HD11 LEU 83 9.900 4.002 1.686 650 HD12 LEU 83 HD12 LEU 83 8.195 4.290 1.321 651 HD13 LEU 83 HD13 LEU 83 9.349 5.644 1.320 652 HD21 LEU 83 HD21 LEU 83 8.374 6.112 -0.934 653 HD22 LEU 83 HD22 LEU 83 7.452 4.603 -1.045 654 HD23 LEU 83 HD23 LEU 83 8.645 5.005 -2.288 655 H LYS 84 HN LYS 84 14.051 3.881 -1.726 656 HA LYS 84 HA LYS 84 14.707 6.243 -3.344 657 HB2 LYS 84 HB2 LYS 84 16.986 5.726 -2.132 658 HB3 LYS 84 HB3 LYS 84 15.778 6.878 -1.573 659 HG2 LYS 84 HG2 LYS 84 15.034 5.407 0.154 660 HG3 LYS 84 HG3 LYS 84 15.872 4.056 -0.602 661 HD2 LYS 84 HD2 LYS 84 16.973 4.825 1.454 662 HD3 LYS 84 HD3 LYS 84 18.006 4.823 0.009 663 HE2 LYS 84 HE2 LYS 84 17.440 7.321 -0.162 664 HE3 LYS 84 HE3 LYS 84 16.803 7.166 1.482 665 HZ1 LYS 84 HZ1 LYS 84 19.045 6.395 2.164 666 HZ2 LYS 84 HZ2 LYS 84 19.066 7.896 1.542 667 HZ3 LYS 84 HZ3 LYS 84 19.602 6.667 0.629 668 H GLU 85 HN GLU 85 15.178 2.812 -3.031 669 HA GLU 85 HA GLU 85 17.271 2.716 -5.044 670 HB2 GLU 85 HB2 GLU 85 15.728 0.535 -3.585 671 HB3 GLU 85 HB3 GLU 85 17.101 0.263 -4.658 672 HG2 GLU 85 HG2 GLU 85 18.468 1.818 -3.229 673 HG3 GLU 85 HG3 GLU 85 17.135 1.941 -2.108 674 H GLU 86 HN GLU 86 13.848 2.916 -5.304 675 HA GLU 86 HA GLU 86 14.117 2.209 -8.193 676 HB2 GLU 86 HB2 GLU 86 11.591 2.393 -6.521 677 HB3 GLU 86 HB3 GLU 86 11.665 2.103 -8.237 678 HG2 GLU 86 HG2 GLU 86 13.330 0.124 -6.827 679 HG3 GLU 86 HG3 GLU 86 11.757 0.227 -6.072 680 H LEU 87 HN LEU 87 12.316 4.449 -5.986 681 HA LEU 87 HA LEU 87 12.129 6.393 -8.138 682 HB2 LEU 87 HB2 LEU 87 11.416 7.165 -5.309 683 HB3 LEU 87 HB3 LEU 87 10.780 7.691 -6.822 684 HG LEU 87 HG LEU 87 10.312 4.974 -5.620 685 HD11 LEU 87 HD11 LEU 87 9.348 6.791 -4.252 686 HD12 LEU 87 HD12 LEU 87 8.098 5.788 -5.000 687 HD13 LEU 87 HD13 LEU 87 8.468 7.390 -5.677 688 HD21 LEU 87 HD21 LEU 87 8.881 6.356 -7.920 689 HD22 LEU 87 HD22 LEU 87 8.506 4.748 -7.262 690 HD23 LEU 87 HD23 LEU 87 10.042 5.012 -8.093 691 H GLY 88 HN GLY 88 13.426 6.696 -4.844 692 HA2 GLY 88 HA2 GLY 88 15.741 7.874 -4.655 693 HA3 GLY 88 HA1 GLY 88 15.014 9.072 -5.723 694 H PHE 89 HN PHE 89 12.709 7.692 -3.445 695 HA PHE 89 HA PHE 89 12.751 10.205 -1.860 696 HB2 PHE 89 HB2 PHE 89 10.595 9.521 -2.804 697 HB3 PHE 89 HB3 PHE 89 10.747 7.926 -2.094 698 HD1 PHE 89 HD1 PHE 89 10.592 11.581 -1.159 699 HD2 PHE 89 HD2 PHE 89 9.904 7.514 0.088 700 HE1 PHE 89 HE1 PHE 89 9.597 12.387 0.958 701 HE2 PHE 89 HE2 PHE 89 8.879 8.319 2.187 702 HZ PHE 89 HZ PHE 89 8.733 10.757 2.632 703 H ALA 90 HN ALA 90 12.856 10.041 0.480 704 HA ALA 90 HA ALA 90 13.822 7.415 1.551 705 HB1 ALA 90 HB1 ALA 90 15.088 10.128 2.078 706 HB2 ALA 90 HB2 ALA 90 15.543 8.570 2.792 707 HB3 ALA 90 HB3 ALA 90 15.765 8.852 1.052 708 H GLY 91 HN GLY 91 12.761 10.783 2.499 709 HA2 GLY 91 HA2 GLY 91 10.654 9.869 4.146 710 HA3 GLY 91 HA1 GLY 91 12.088 10.264 5.119 711 H TYR 92 HN TYR 92 9.793 11.775 5.382 712 HA TYR 92 HA TYR 92 9.903 14.076 3.592 713 HB2 TYR 92 HB2 TYR 92 8.242 13.552 6.081 714 HB3 TYR 92 HB3 TYR 92 7.918 14.760 4.847 715 HD1 TYR 92 HD2 TYR 92 7.566 13.869 2.376 716 HD2 TYR 92 HD1 TYR 92 7.284 11.309 5.854 717 HE1 TYR 92 HE2 TYR 92 6.000 12.396 1.177 718 HE2 TYR 92 HE1 TYR 92 5.784 9.851 4.669 719 HH TYR 92 HH TYR 92 4.091 10.835 1.808 720 H SER 93 HN SER 93 9.841 16.300 4.493 721 HA SER 93 HA SER 93 11.983 16.930 6.410 722 HB2 SER 93 HB2 SER 93 9.874 18.548 4.968 723 HB3 SER 93 HB3 SER 93 11.037 19.284 6.020 724 HG SER 93 HG SER 93 12.068 17.636 3.980 725 H ILE 94 HN ILE 94 11.439 18.510 8.145 726 HA ILE 94 HA ILE 94 9.691 17.236 10.005 727 HB ILE 94 HB ILE 94 11.711 18.360 10.730 728 HG12 ILE 94 HG12 ILE 94 10.809 19.596 12.683 729 HG13 ILE 94 HG13 ILE 94 9.206 19.605 11.971 730 HG21 ILE 94 HG21 ILE 94 12.000 20.718 10.790 731 HG22 ILE 94 HG22 ILE 94 11.473 20.347 9.137 732 HG23 ILE 94 HG23 ILE 94 10.326 21.026 10.293 733 HD11 ILE 94 HD11 ILE 94 10.769 17.107 12.756 734 HD12 ILE 94 HD12 ILE 94 9.430 17.828 13.669 735 HD13 ILE 94 HD13 ILE 94 9.118 17.131 12.082 736 H ASN 95 HN ASN 95 9.332 20.154 8.110 737 HA ASN 95 HA ASN 95 7.014 21.177 9.358 738 HB2 ASN 95 HB2 ASN 95 6.822 22.543 7.225 739 HB3 ASN 95 HB3 ASN 95 8.342 22.671 8.096 740 HD21 ASN 95 HD21 ASN 95 8.897 23.626 5.786 741 HD22 ASN 95 HD22 ASN 95 9.539 22.421 4.691 742 H GLU 96 HN GLU 96 7.330 18.445 7.313 743 HA GLU 96 HA GLU 96 4.462 18.528 6.526 744 HB2 GLU 96 HB2 GLU 96 6.955 17.351 5.242 745 HB3 GLU 96 HB3 GLU 96 5.325 17.025 4.651 746 HG2 GLU 96 HG2 GLU 96 6.418 19.861 4.878 747 HG3 GLU 96 HG3 GLU 96 6.672 18.833 3.489 748 H LEU 97 HN LEU 97 6.201 17.183 8.982 749 HA LEU 97 HA LEU 97 5.710 14.431 8.316 750 HB2 LEU 97 HB2 LEU 97 7.463 15.965 10.131 751 HB3 LEU 97 HB3 LEU 97 6.827 14.590 10.964 752 HG LEU 97 HG LEU 97 8.353 14.485 8.331 753 HD11 LEU 97 HD11 LEU 97 9.214 13.685 11.144 754 HD12 LEU 97 HD12 LEU 97 9.762 15.128 10.266 755 HD13 LEU 97 HD13 LEU 97 10.180 13.529 9.657 756 HD21 LEU 97 HD21 LEU 97 8.518 12.028 8.870 757 HD22 LEU 97 HD22 LEU 97 6.909 12.580 8.393 758 HD23 LEU 97 HD23 LEU 97 7.276 12.274 10.117 759 H VAL 98 HN VAL 98 3.386 15.466 8.384 760 HA VAL 98 HA VAL 98 2.048 15.281 10.887 761 HB VAL 98 HB VAL 98 -0.016 15.568 9.507 762 HG11 VAL 98 HG11 VAL 98 2.383 17.343 8.862 763 HG12 VAL 98 HG12 VAL 98 0.658 17.809 8.720 764 HG13 VAL 98 HG13 VAL 98 1.354 17.437 10.316 765 HG21 VAL 98 HG21 VAL 98 1.868 15.773 7.132 766 HG22 VAL 98 HG22 VAL 98 0.797 14.381 7.380 767 HG23 VAL 98 HG23 VAL 98 0.118 15.990 7.117 768 HA PRO 99 HA PRO 99 1.032 11.008 11.066 769 HB2 PRO 99 HB2 PRO 99 -1.459 11.027 12.300 770 HB3 PRO 99 HB3 PRO 99 0.129 11.144 13.107 771 HG2 PRO 99 HG2 PRO 99 -1.759 13.365 12.363 772 HG3 PRO 99 HG3 PRO 99 -0.785 13.179 13.855 773 HD2 PRO 99 HD2 PRO 99 -0.038 14.827 11.808 774 HD3 PRO 99 HD3 PRO 99 1.160 13.938 12.795 775 H ARG 100 HN ARG 100 -1.119 13.323 9.435 776 HA ARG 100 HA ARG 100 -2.791 11.307 8.215 777 HB2 ARG 100 HB2 ARG 100 -2.624 14.160 8.168 778 HB3 ARG 100 HB3 ARG 100 -2.376 13.672 6.503 779 HG2 ARG 100 HG2 ARG 100 -4.471 12.567 6.382 780 HG3 ARG 100 HG3 ARG 100 -4.676 12.514 8.129 781 HD2 ARG 100 HD2 ARG 100 -4.663 15.141 6.596 782 HD3 ARG 100 HD3 ARG 100 -6.123 14.171 6.852 783 HE ARG 100 HE ARG 100 -4.658 14.681 9.301 784 HH11 ARG 100 HH11 ARG 100 -7.101 16.132 7.149 785 HH12 ARG 100 HH12 ARG 100 -7.834 17.081 8.408 786 HH21 ARG 100 HH21 ARG 100 -5.743 15.867 10.989 787 HH22 ARG 100 HH22 ARG 100 -7.048 16.921 10.554 788 H LYS 101 HN LYS 101 0.397 12.575 7.348 789 HA LYS 101 HA LYS 101 0.225 11.208 4.741 790 HB2 LYS 101 HB2 LYS 101 1.584 12.833 3.938 791 HB3 LYS 101 HB3 LYS 101 0.600 13.698 5.059 792 HG2 LYS 101 HG2 LYS 101 2.573 14.606 5.575 793 HG3 LYS 101 HG3 LYS 101 2.754 13.227 6.648 794 HD2 LYS 101 HD2 LYS 101 4.754 13.084 5.593 795 HD3 LYS 101 HD3 LYS 101 3.848 12.240 4.325 796 HE2 LYS 101 HE2 LYS 101 4.280 15.267 4.443 797 HE3 LYS 101 HE3 LYS 101 5.386 14.190 3.601 798 HZ1 LYS 101 HZ1 LYS 101 2.569 14.720 2.927 799 HZ2 LYS 101 HZ2 LYS 101 3.463 13.534 2.172 800 HZ3 LYS 101 HZ3 LYS 101 3.888 15.135 2.091 801 H THR 102 HN THR 102 2.369 11.346 7.527 802 HA THR 102 HA THR 102 4.389 9.553 6.752 803 HB THR 102 HB THR 102 4.264 8.774 9.220 804 HG1 THR 102 HG1 THR 102 2.554 10.993 9.505 805 HG21 THR 102 HG21 THR 102 4.485 11.765 8.626 806 HG22 THR 102 HG22 THR 102 5.777 10.550 8.496 807 HG23 THR 102 HG23 THR 102 5.086 10.934 10.082 808 H ARG 103 HN ARG 103 1.126 8.704 7.991 809 HA ARG 103 HA ARG 103 1.499 5.889 7.830 810 HB2 ARG 103 HB2 ARG 103 -0.925 7.712 7.978 811 HB3 ARG 103 HB3 ARG 103 -1.130 6.010 7.607 812 HG2 ARG 103 HG2 ARG 103 -1.399 6.173 9.928 813 HG3 ARG 103 HG3 ARG 103 0.160 5.395 9.658 814 HD2 ARG 103 HD2 ARG 103 0.602 8.209 9.894 815 HD3 ARG 103 HD3 ARG 103 -0.528 7.777 11.168 816 HE ARG 103 HE ARG 103 1.502 5.852 11.277 817 HH11 ARG 103 HH11 ARG 103 1.301 9.332 11.687 818 HH12 ARG 103 HH12 ARG 103 2.575 9.460 12.853 819 HH21 ARG 103 HH21 ARG 103 3.243 5.973 12.851 820 HH22 ARG 103 HH22 ARG 103 3.699 7.517 13.481 821 H ARG 104 HN ARG 104 0.972 8.133 5.161 822 HA ARG 104 HA ARG 104 0.104 6.032 3.321 823 HB2 ARG 104 HB2 ARG 104 1.193 8.834 2.883 824 HB3 ARG 104 HB3 ARG 104 1.151 7.629 1.631 825 HG2 ARG 104 HG2 ARG 104 -0.744 8.962 1.360 826 HG3 ARG 104 HG3 ARG 104 -1.313 7.382 1.883 827 HD2 ARG 104 HD2 ARG 104 -2.140 8.229 3.892 828 HD3 ARG 104 HD3 ARG 104 -0.909 9.505 3.973 829 HE ARG 104 HE ARG 104 -2.265 10.280 1.785 830 HH11 ARG 104 HH11 ARG 104 -3.282 9.843 5.138 831 HH12 ARG 104 HH12 ARG 104 -4.692 10.870 4.930 832 HH21 ARG 104 HH21 ARG 104 -3.746 11.858 1.722 833 HH22 ARG 104 HH22 ARG 104 -4.836 12.160 3.056 834 H ALA 105 HN ALA 105 3.278 7.656 3.991 835 HA ALA 105 HA ALA 105 4.789 6.201 2.220 836 HB1 ALA 105 HB1 ALA 105 5.775 8.007 3.452 837 HB2 ALA 105 HB2 ALA 105 5.647 7.134 4.992 838 HB3 ALA 105 HB3 ALA 105 6.750 6.562 3.726 839 H THR 106 HN THR 106 3.636 4.875 5.317 840 HA THR 106 HA THR 106 5.110 2.427 5.331 841 HB THR 106 HB THR 106 2.389 3.262 6.389 842 HG1 THR 106 HG1 THR 106 4.311 3.956 7.528 843 HG21 THR 106 HG21 THR 106 3.703 0.529 6.602 844 HG22 THR 106 HG22 THR 106 2.089 0.896 5.966 845 HG23 THR 106 HG23 THR 106 2.402 1.110 7.685 846 H MET 107 HN MET 107 1.893 3.136 3.743 847 HA MET 107 HA MET 107 1.769 0.417 2.685 848 HB2 MET 107 HB2 MET 107 -0.069 1.372 1.245 849 HB3 MET 107 HB3 MET 107 -0.377 1.335 2.986 850 HG2 MET 107 HG2 MET 107 -0.035 3.689 3.185 851 HG3 MET 107 HG3 MET 107 0.670 3.774 1.571 852 HE1 MET 107 HE1 MET 107 -3.859 3.460 2.258 853 HE2 MET 107 HE2 MET 107 -2.927 1.953 2.179 854 HE3 MET 107 HE3 MET 107 -2.638 3.109 3.495 855 H THR 108 HN THR 108 2.917 3.634 1.476 856 HA THR 108 HA THR 108 3.213 2.762 -1.168 857 HB THR 108 HB THR 108 5.129 4.792 -0.064 858 HG1 THR 108 HG1 THR 108 2.307 5.098 -0.184 859 HG21 THR 108 HG21 THR 108 3.310 4.522 -2.503 860 HG22 THR 108 HG22 THR 108 5.091 4.560 -2.452 861 HG23 THR 108 HG23 THR 108 4.137 6.010 -2.108 862 H ASN 109 HN ASN 109 5.514 2.540 1.538 863 HA ASN 109 HA ASN 109 7.678 1.361 0.219 864 HB2 ASN 109 HB2 ASN 109 7.995 1.995 2.476 865 HB3 ASN 109 HB3 ASN 109 6.493 1.296 2.988 866 HD21 ASN 109 HD21 ASN 109 9.246 -0.483 1.293 867 HD22 ASN 109 HD22 ASN 109 9.322 -1.634 2.582 868 H TRP 110 HN TRP 110 4.802 -0.277 1.531 869 HA TRP 110 HA TRP 110 5.503 -2.917 0.649 870 HB2 TRP 110 HB2 TRP 110 3.816 -2.592 2.343 871 HB3 TRP 110 HB3 TRP 110 2.839 -1.613 1.282 872 HD1 TRP 110 HD1 TRP 110 3.583 -5.265 2.050 873 HE1 TRP 110 HE1 TRP 110 2.110 -6.772 0.533 874 HE3 TRP 110 HE3 TRP 110 1.153 -1.644 -0.544 875 HZ2 TRP 110 HZ2 TRP 110 -0.156 -6.393 -1.277 876 HZ3 TRP 110 HZ3 TRP 110 -0.713 -2.210 -2.096 877 HH2 TRP 110 HH2 TRP 110 -1.300 -4.596 -2.508 878 H LEU 111 HN LEU 111 3.979 -0.219 -1.155 879 HA LEU 111 HA LEU 111 2.789 -1.911 -3.180 880 HB2 LEU 111 HB2 LEU 111 3.379 1.046 -2.944 881 HB3 LEU 111 HB3 LEU 111 2.971 0.372 -4.508 882 HG LEU 111 HG LEU 111 1.085 -0.441 -2.375 883 HD11 LEU 111 HD11 LEU 111 1.271 2.474 -3.206 884 HD12 LEU 111 HD12 LEU 111 1.356 1.798 -1.556 885 HD13 LEU 111 HD13 LEU 111 -0.156 1.724 -2.448 886 HD21 LEU 111 HD21 LEU 111 -0.568 -0.006 -4.087 887 HD22 LEU 111 HD22 LEU 111 0.795 -0.843 -4.843 888 HD23 LEU 111 HD23 LEU 111 0.614 0.902 -5.060 889 H LEU 112 HN LEU 112 5.928 -0.280 -2.839 890 HA LEU 112 HA LEU 112 6.916 -0.933 -5.460 891 HB2 LEU 112 HB2 LEU 112 8.449 -0.473 -2.882 892 HB3 LEU 112 HB3 LEU 112 9.160 -0.575 -4.481 893 HG LEU 112 HG LEU 112 6.971 1.364 -4.500 894 HD11 LEU 112 HD11 LEU 112 7.626 1.474 -2.084 895 HD12 LEU 112 HD12 LEU 112 7.771 2.986 -2.990 896 HD13 LEU 112 HD13 LEU 112 9.232 2.032 -2.611 897 HD21 LEU 112 HD21 LEU 112 8.774 2.897 -5.342 898 HD22 LEU 112 HD22 LEU 112 8.633 1.396 -6.247 899 HD23 LEU 112 HD23 LEU 112 9.949 1.599 -5.073 900 H ALA 113 HN ALA 113 7.333 -2.603 -2.272 901 HA ALA 113 HA ALA 113 8.953 -4.715 -3.306 902 HB1 ALA 113 HB1 ALA 113 8.796 -4.291 -0.922 903 HB2 ALA 113 HB2 ALA 113 7.061 -4.718 -0.922 904 HB3 ALA 113 HB3 ALA 113 8.286 -5.955 -1.276 905 H TYR 114 HN TYR 114 5.371 -4.423 -3.187 906 HA TYR 114 HA TYR 114 4.798 -7.001 -4.246 907 HB2 TYR 114 HB2 TYR 114 3.021 -5.710 -3.331 908 HB3 TYR 114 HB3 TYR 114 3.355 -4.348 -4.377 909 HD1 TYR 114 HD2 TYR 114 2.249 -7.949 -4.547 910 HD2 TYR 114 HD1 TYR 114 2.098 -4.039 -6.366 911 HE1 TYR 114 HE2 TYR 114 0.404 -8.699 -5.966 912 HE2 TYR 114 HE1 TYR 114 0.144 -4.749 -7.726 913 HH TYR 114 HH TYR 114 -1.315 -7.996 -7.516 914 H ARG 115 HN ARG 115 5.096 -3.836 -6.084 915 HA ARG 115 HA ARG 115 4.661 -5.222 -8.533 916 HB2 ARG 115 HB2 ARG 115 5.369 -3.214 -9.684 917 HB3 ARG 115 HB3 ARG 115 4.195 -2.880 -8.435 918 HG2 ARG 115 HG2 ARG 115 5.486 -1.461 -7.340 919 HG3 ARG 115 HG3 ARG 115 6.895 -2.508 -7.399 920 HD2 ARG 115 HD2 ARG 115 6.139 -1.190 -9.968 921 HD3 ARG 115 HD3 ARG 115 6.717 -0.145 -8.686 922 HE ARG 115 HE ARG 115 8.785 -0.949 -8.677 923 HH11 ARG 115 HH11 ARG 115 7.042 -2.809 -11.165 924 HH12 ARG 115 HH12 ARG 115 8.497 -3.424 -11.842 925 HH21 ARG 115 HH21 ARG 115 10.626 -2.096 -9.329 926 HH22 ARG 115 HH22 ARG 115 10.575 -3.178 -10.683 927 H ARG 116 HN ARG 116 7.822 -4.627 -6.775 928 HA ARG 116 HA ARG 116 9.473 -5.275 -8.896 929 HB2 ARG 116 HB2 ARG 116 10.034 -3.844 -7.044 930 HB3 ARG 116 HB3 ARG 116 9.416 -5.010 -5.866 931 HG2 ARG 116 HG2 ARG 116 11.735 -5.018 -5.781 932 HG3 ARG 116 HG3 ARG 116 11.045 -6.549 -6.339 933 HD2 ARG 116 HD2 ARG 116 11.611 -5.772 -8.718 934 HD3 ARG 116 HD3 ARG 116 12.507 -4.421 -7.999 935 HE ARG 116 HE ARG 116 13.483 -6.674 -6.752 936 HH11 ARG 116 HH11 ARG 116 13.034 -5.912 -10.232 937 HH12 ARG 116 HH12 ARG 116 14.185 -7.088 -10.746 938 HH21 ARG 116 HH21 ARG 116 15.194 -8.081 -7.488 939 HH22 ARG 116 HH22 ARG 116 15.449 -8.293 -9.184 940 H SER 117 HN SER 117 8.130 -7.102 -6.046 941 HA SER 117 HA SER 117 9.309 -9.575 -6.632 942 HB2 SER 117 HB2 SER 117 6.759 -8.726 -5.230 943 HB3 SER 117 HB3 SER 117 7.142 -10.435 -5.464 944 HG SER 117 HG SER 117 8.837 -10.312 -4.235 945 H GLN 118 HN GLN 118 6.659 -8.047 -8.469 946 HA GLN 118 HA GLN 118 5.582 -10.564 -9.353 947 HB2 GLN 118 HB2 GLN 118 5.394 -7.747 -10.435 948 HB3 GLN 118 HB3 GLN 118 4.589 -9.117 -11.201 949 HG2 GLN 118 HG2 GLN 118 3.354 -9.569 -9.128 950 HG3 GLN 118 HG3 GLN 118 4.108 -8.171 -8.358 951 HE21 GLN 118 HE21 GLN 118 1.215 -8.847 -9.265 952 HE22 GLN 118 HE22 GLN 118 0.770 -7.312 -10.070 953 H GLN 119 HN GLN 119 8.493 -8.918 -10.284 954 HA GLN 119 HA GLN 119 8.541 -10.324 -12.863 955 HB2 GLN 119 HB2 GLN 119 10.187 -8.785 -13.575 956 HB3 GLN 119 HB3 GLN 119 8.880 -7.887 -12.871 957 HG2 GLN 119 HG2 GLN 119 10.872 -8.393 -10.816 958 HG3 GLN 119 HG3 GLN 119 11.698 -7.851 -12.251 959 HE21 GLN 119 HE21 GLN 119 8.386 -6.607 -11.497 960 HE22 GLN 119 HE22 GLN 119 8.953 -5.042 -11.010 961 H ASP 120 HN ASP 120 9.152 -11.393 -10.084 962 HA ASP 120 HA ASP 120 11.888 -11.610 -9.625 963 HB2 ASP 120 HB2 ASP 120 10.020 -12.166 -8.022 964 HB3 ASP 120 HB3 ASP 120 9.875 -13.742 -8.820 Start of MODEL 2 1 H1 MET 1 HN MET 1 -5.744 -11.967 -8.689 2 HA MET 1 HA MET 1 -6.315 -9.850 -9.648 3 HB2 MET 1 HB2 MET 1 -6.664 -8.912 -7.225 4 HB3 MET 1 HB3 MET 1 -4.951 -8.549 -7.259 5 HG2 MET 1 HG2 MET 1 -6.078 -6.586 -7.852 6 HG3 MET 1 HG3 MET 1 -5.380 -7.168 -9.350 7 HE1 MET 1 HE1 MET 1 -7.287 -4.936 -9.918 8 HE2 MET 1 HE2 MET 1 -9.023 -5.199 -9.690 9 HE3 MET 1 HE3 MET 1 -7.957 -5.075 -8.278 10 H GLY 2 HN GLY 2 -4.686 -8.664 -11.035 11 HA2 GLY 2 HA2 GLY 2 -1.881 -8.801 -10.137 12 HA3 GLY 2 HA1 GLY 2 -2.243 -9.615 -11.651 13 H ILE 3 HN ILE 3 -2.471 -6.533 -9.910 14 HA ILE 3 HA ILE 3 -2.967 -5.044 -12.399 15 HB ILE 3 HB ILE 3 -2.258 -3.763 -9.747 16 HG12 ILE 3 HG12 ILE 3 -4.987 -4.806 -10.572 17 HG13 ILE 3 HG13 ILE 3 -4.008 -5.460 -9.247 18 HG21 ILE 3 HG21 ILE 3 -4.319 -2.926 -11.858 19 HG22 ILE 3 HG22 ILE 3 -3.616 -1.927 -10.570 20 HG23 ILE 3 HG23 ILE 3 -2.639 -2.395 -11.938 21 HD11 ILE 3 HD11 ILE 3 -5.643 -4.104 -8.219 22 HD12 ILE 3 HD12 ILE 3 -4.109 -3.215 -8.112 23 HD13 ILE 3 HD13 ILE 3 -5.345 -2.742 -9.305 24 H THR 4 HN THR 4 -1.537 -3.523 -13.181 25 HA THR 4 HA THR 4 1.367 -3.910 -12.896 26 HB THR 4 HB THR 4 -0.287 -1.789 -14.342 27 HG1 THR 4 HG1 THR 4 0.994 -4.080 -15.384 28 HG21 THR 4 HG21 THR 4 1.990 -0.985 -14.122 29 HG22 THR 4 HG22 THR 4 1.746 -1.529 -15.780 30 HG23 THR 4 HG23 THR 4 2.652 -2.552 -14.644 31 H ILE 5 HN ILE 5 2.699 -2.250 -11.790 32 HA ILE 5 HA ILE 5 1.265 0.091 -10.700 33 HB ILE 5 HB ILE 5 3.548 -1.445 -9.435 34 HG12 ILE 5 HG12 ILE 5 1.335 -2.670 -9.250 35 HG13 ILE 5 HG13 ILE 5 2.263 -2.402 -7.820 36 HG21 ILE 5 HG21 ILE 5 2.069 0.959 -8.387 37 HG22 ILE 5 HG22 ILE 5 3.189 -0.045 -7.421 38 HG23 ILE 5 HG23 ILE 5 3.777 0.851 -8.826 39 HD11 ILE 5 HD11 ILE 5 0.668 -0.552 -7.205 40 HD12 ILE 5 HD12 ILE 5 -0.195 -0.857 -8.734 41 HD13 ILE 5 HD13 ILE 5 -0.160 -2.095 -7.467 42 H THR 6 HN THR 6 2.482 2.013 -10.905 43 HA THR 6 HA THR 6 5.112 1.776 -12.205 44 HB THR 6 HB THR 6 4.475 4.168 -13.109 45 HG1 THR 6 HG1 THR 6 2.440 4.587 -13.339 46 HG21 THR 6 HG21 THR 6 4.937 2.102 -14.461 47 HG22 THR 6 HG22 THR 6 3.566 2.991 -15.143 48 HG23 THR 6 HG23 THR 6 3.297 1.528 -14.142 49 H ASP 7 HN ASP 7 6.774 2.779 -11.272 50 HA ASP 7 HA ASP 7 6.769 3.735 -8.642 51 HB2 ASP 7 HB2 ASP 7 8.575 4.096 -11.030 52 HB3 ASP 7 HB3 ASP 7 8.959 4.880 -9.517 53 H GLU 8 HN GLU 8 5.951 5.398 -11.624 54 HA GLU 8 HA GLU 8 6.125 8.103 -10.601 55 HB2 GLU 8 HB2 GLU 8 4.803 6.735 -12.955 56 HB3 GLU 8 HB3 GLU 8 4.511 8.464 -12.589 57 HG2 GLU 8 HG2 GLU 8 7.125 8.604 -12.527 58 HG3 GLU 8 HG3 GLU 8 7.090 7.066 -13.373 59 H LEU 9 HN LEU 9 3.459 5.703 -10.914 60 HA LEU 9 HA LEU 9 1.423 7.412 -9.839 61 HB2 LEU 9 HB2 LEU 9 1.563 4.831 -10.908 62 HB3 LEU 9 HB3 LEU 9 1.199 4.493 -9.241 63 HG LEU 9 HG LEU 9 -0.374 6.609 -10.751 64 HD11 LEU 9 HD11 LEU 9 -1.091 3.667 -10.848 65 HD12 LEU 9 HD12 LEU 9 -0.287 4.541 -12.154 66 HD13 LEU 9 HD13 LEU 9 -1.910 5.017 -11.624 67 HD21 LEU 9 HD21 LEU 9 -1.109 4.686 -8.484 68 HD22 LEU 9 HD22 LEU 9 -2.174 5.918 -9.197 69 HD23 LEU 9 HD23 LEU 9 -0.727 6.407 -8.306 70 H LEU 10 HN LEU 10 3.897 5.279 -8.422 71 HA LEU 10 HA LEU 10 3.045 5.614 -5.758 72 HB2 LEU 10 HB2 LEU 10 5.583 4.815 -7.129 73 HB3 LEU 10 HB3 LEU 10 5.635 5.114 -5.416 74 HG LEU 10 HG LEU 10 5.153 2.735 -6.472 75 HD11 LEU 10 HD11 LEU 10 5.289 3.435 -4.025 76 HD12 LEU 10 HD12 LEU 10 4.261 2.056 -4.373 77 HD13 LEU 10 HD13 LEU 10 3.515 3.629 -4.069 78 HD21 LEU 10 HD21 LEU 10 2.260 3.664 -6.163 79 HD22 LEU 10 HD22 LEU 10 2.818 2.007 -6.351 80 HD23 LEU 10 HD23 LEU 10 3.054 3.157 -7.663 81 H TRP 11 HN TRP 11 5.297 7.539 -7.704 82 HA TRP 11 HA TRP 11 6.031 9.387 -5.685 83 HB2 TRP 11 HB2 TRP 11 6.039 9.470 -8.671 84 HB3 TRP 11 HB3 TRP 11 6.058 11.009 -7.835 85 HD1 TRP 11 HD1 TRP 11 8.400 8.519 -9.070 86 HE1 TRP 11 HE1 TRP 11 10.703 8.804 -8.039 87 HE3 TRP 11 HE3 TRP 11 7.160 11.588 -5.191 88 HZ2 TRP 11 HZ2 TRP 11 11.848 9.996 -5.653 89 HZ3 TRP 11 HZ3 TRP 11 8.853 12.185 -3.448 90 HH2 TRP 11 HH2 TRP 11 11.182 11.373 -3.662 91 H ALA 12 HN ALA 12 3.117 9.387 -7.755 92 HA ALA 12 HA ALA 12 2.034 11.837 -6.859 93 HB1 ALA 12 HB1 ALA 12 0.597 9.276 -7.663 94 HB2 ALA 12 HB2 ALA 12 -0.126 10.872 -7.574 95 HB3 ALA 12 HB3 ALA 12 1.153 10.559 -8.758 96 H ILE 13 HN ILE 13 2.345 8.780 -5.059 97 HA ILE 13 HA ILE 13 0.432 9.496 -3.032 98 HB ILE 13 HB ILE 13 2.617 7.453 -2.905 99 HG12 ILE 13 HG12 ILE 13 -0.349 6.892 -3.256 100 HG13 ILE 13 HG13 ILE 13 0.582 7.295 -4.700 101 HG21 ILE 13 HG21 ILE 13 0.205 8.070 -1.169 102 HG22 ILE 13 HG22 ILE 13 1.091 6.545 -1.089 103 HG23 ILE 13 HG23 ILE 13 1.917 8.070 -0.692 104 HD11 ILE 13 HD11 ILE 13 2.252 5.572 -3.974 105 HD12 ILE 13 HD12 ILE 13 1.015 4.978 -2.852 106 HD13 ILE 13 HD13 ILE 13 0.700 4.996 -4.622 107 H LEU 14 HN LEU 14 4.164 9.410 -3.228 108 HA LEU 14 HA LEU 14 4.602 10.585 -0.815 109 HB2 LEU 14 HB2 LEU 14 6.149 10.716 -3.428 110 HB3 LEU 14 HB3 LEU 14 6.749 11.330 -1.901 111 HG LEU 14 HG LEU 14 7.778 9.402 -2.030 112 HD11 LEU 14 HD11 LEU 14 6.995 7.860 -0.344 113 HD12 LEU 14 HD12 LEU 14 5.319 8.375 -0.612 114 HD13 LEU 14 HD13 LEU 14 6.513 9.501 0.121 115 HD21 LEU 14 HD21 LEU 14 7.083 7.200 -2.673 116 HD22 LEU 14 HD22 LEU 14 6.912 8.383 -3.971 117 HD23 LEU 14 HD23 LEU 14 5.477 7.842 -3.062 118 H LYS 15 HN LYS 15 4.004 12.311 -3.937 119 HA LYS 15 HA LYS 15 4.894 14.830 -2.841 120 HB2 LYS 15 HB2 LYS 15 3.275 14.220 -5.367 121 HB3 LYS 15 HB3 LYS 15 3.932 15.797 -4.951 122 HG2 LYS 15 HG2 LYS 15 5.540 13.294 -5.593 123 HG3 LYS 15 HG3 LYS 15 5.319 14.711 -6.614 124 HD2 LYS 15 HD2 LYS 15 6.492 16.106 -4.928 125 HD3 LYS 15 HD3 LYS 15 6.726 14.644 -3.933 126 HE2 LYS 15 HE2 LYS 15 8.013 13.607 -5.774 127 HE3 LYS 15 HE3 LYS 15 7.854 15.083 -6.721 128 HZ1 LYS 15 HZ1 LYS 15 9.254 16.215 -5.271 129 HZ2 LYS 15 HZ2 LYS 15 9.965 14.769 -5.372 130 HZ3 LYS 15 HZ3 LYS 15 9.089 15.138 -4.028 131 H ASP 16 HN ASP 16 1.635 14.459 -4.201 132 HA ASP 16 HA ASP 16 -0.031 14.633 -2.060 133 HB2 ASP 16 HB2 ASP 16 1.278 17.192 -2.299 134 HB3 ASP 16 HB3 ASP 16 -0.344 17.406 -2.878 135 H GLU 17 HN GLU 17 -0.607 13.108 -3.992 136 HA GLU 17 HA GLU 17 -2.626 14.635 -5.434 137 HB2 GLU 17 HB2 GLU 17 -1.270 14.293 -7.204 138 HB3 GLU 17 HB3 GLU 17 -0.518 12.825 -6.571 139 HG2 GLU 17 HG2 GLU 17 -2.468 11.560 -6.971 140 HG3 GLU 17 HG3 GLU 17 -3.413 12.992 -7.448 141 H LEU 18 HN LEU 18 -1.507 11.258 -4.582 142 HA LEU 18 HA LEU 18 -4.201 10.304 -4.488 143 HB2 LEU 18 HB2 LEU 18 -1.701 9.294 -3.146 144 HB3 LEU 18 HB3 LEU 18 -3.204 8.694 -2.573 145 HG LEU 18 HG LEU 18 -2.292 7.192 -4.089 146 HD11 LEU 18 HD11 LEU 18 -4.903 8.281 -5.010 147 HD12 LEU 18 HD12 LEU 18 -4.563 6.961 -3.845 148 HD13 LEU 18 HD13 LEU 18 -4.227 6.744 -5.541 149 HD21 LEU 18 HD21 LEU 18 -2.728 9.225 -6.323 150 HD22 LEU 18 HD22 LEU 18 -2.082 7.590 -6.511 151 HD23 LEU 18 HD23 LEU 18 -1.136 8.809 -5.648 152 H SER 19 HN SER 19 -5.320 9.613 -2.622 153 HA SER 19 HA SER 19 -5.441 11.954 -0.749 154 HB2 SER 19 HB2 SER 19 -7.292 11.485 -2.569 155 HB3 SER 19 HB3 SER 19 -7.939 10.378 -1.344 156 HG SER 19 HG SER 19 -8.525 12.738 -1.485 157 H ASP 20 HN ASP 20 -7.405 10.794 1.091 158 HA ASP 20 HA ASP 20 -5.691 8.833 2.495 159 HB2 ASP 20 HB2 ASP 20 -7.654 8.750 4.126 160 HB3 ASP 20 HB3 ASP 20 -6.561 10.122 4.104 161 H ALA 21 HN ALA 21 -9.196 8.768 1.723 162 HA ALA 21 HA ALA 21 -9.515 6.032 1.675 163 HB1 ALA 21 HB1 ALA 21 -10.932 8.079 -0.087 164 HB2 ALA 21 HB2 ALA 21 -11.518 6.446 0.290 165 HB3 ALA 21 HB3 ALA 21 -11.375 7.652 1.583 166 H GLU 22 HN GLU 22 -8.334 8.066 -0.947 167 HA GLU 22 HA GLU 22 -8.339 6.027 -2.992 168 HB2 GLU 22 HB2 GLU 22 -6.955 8.704 -2.683 169 HB3 GLU 22 HB3 GLU 22 -6.885 7.745 -4.156 170 HG2 GLU 22 HG2 GLU 22 -9.648 8.328 -3.122 171 HG3 GLU 22 HG3 GLU 22 -8.709 9.693 -3.715 172 H ALA 23 HN ALA 23 -5.703 7.366 -0.792 173 HA ALA 23 HA ALA 23 -3.669 5.697 -1.935 174 HB1 ALA 23 HB1 ALA 23 -3.870 6.884 0.872 175 HB2 ALA 23 HB2 ALA 23 -2.428 6.142 0.160 176 HB3 ALA 23 HB3 ALA 23 -3.065 7.625 -0.542 177 H ASN 24 HN ASN 24 -6.113 5.278 0.496 178 HA ASN 24 HA ASN 24 -5.361 2.697 1.593 179 HB2 ASN 24 HB2 ASN 24 -7.705 4.507 1.692 180 HB3 ASN 24 HB3 ASN 24 -8.158 2.829 1.605 181 HD21 ASN 24 HD21 ASN 24 -9.034 3.989 3.753 182 HD22 ASN 24 HD22 ASN 24 -8.065 3.802 5.189 183 H ALA 25 HN ALA 25 -7.714 3.667 -0.943 184 HA ALA 25 HA ALA 25 -8.466 1.216 -1.840 185 HB1 ALA 25 HB1 ALA 25 -9.465 3.316 -2.658 186 HB2 ALA 25 HB2 ALA 25 -8.004 3.631 -3.626 187 HB3 ALA 25 HB3 ALA 25 -8.993 2.220 -3.987 188 H LEU 26 HN LEU 26 -5.522 3.007 -3.166 189 HA LEU 26 HA LEU 26 -4.817 1.045 -5.022 190 HB2 LEU 26 HB2 LEU 26 -2.978 2.711 -3.244 191 HB3 LEU 26 HB3 LEU 26 -2.525 1.845 -4.700 192 HG LEU 26 HG LEU 26 -4.234 4.331 -4.496 193 HD11 LEU 26 HD11 LEU 26 -1.622 3.659 -5.926 194 HD12 LEU 26 HD12 LEU 26 -1.808 4.645 -4.453 195 HD13 LEU 26 HD13 LEU 26 -2.456 5.220 -5.995 196 HD21 LEU 26 HD21 LEU 26 -3.812 2.566 -6.935 197 HD22 LEU 26 HD22 LEU 26 -4.428 4.240 -6.983 198 HD23 LEU 26 HD23 LEU 26 -5.360 2.990 -6.171 199 H VAL 27 HN VAL 27 -4.448 0.934 -1.480 200 HA VAL 27 HA VAL 27 -2.773 -1.488 -1.702 201 HB VAL 27 HB VAL 27 -3.588 0.050 0.763 202 HG11 VAL 27 HG11 VAL 27 -2.778 -2.159 1.365 203 HG12 VAL 27 HG12 VAL 27 -1.573 -2.142 0.084 204 HG13 VAL 27 HG13 VAL 27 -1.358 -1.131 1.548 205 HG21 VAL 27 HG21 VAL 27 -1.318 1.030 0.649 206 HG22 VAL 27 HG22 VAL 27 -1.024 0.227 -0.895 207 HG23 VAL 27 HG23 VAL 27 -2.240 1.520 -0.750 208 H TRP 28 HN TRP 28 -6.098 -0.761 -1.648 209 HA TRP 28 HA TRP 28 -6.769 -3.368 -0.400 210 HB2 TRP 28 HB2 TRP 28 -8.489 -1.228 -1.685 211 HB3 TRP 28 HB3 TRP 28 -9.057 -2.636 -0.803 212 HD1 TRP 28 HD1 TRP 28 -6.519 -2.009 1.450 213 HE1 TRP 28 HE1 TRP 28 -7.131 -0.404 3.355 214 HE3 TRP 28 HE3 TRP 28 -10.467 0.466 -0.738 215 HZ2 TRP 28 HZ2 TRP 28 -9.362 1.164 4.062 216 HZ3 TRP 28 HZ3 TRP 28 -11.804 2.055 0.614 217 HH2 TRP 28 HH2 TRP 28 -11.303 2.384 3.018 218 H GLN 29 HN GLN 29 -6.688 -1.728 -3.521 219 HA GLN 29 HA GLN 29 -7.952 -3.758 -5.022 220 HB2 GLN 29 HB2 GLN 29 -6.994 -2.609 -7.019 221 HB3 GLN 29 HB3 GLN 29 -7.864 -1.560 -5.902 222 HG2 GLN 29 HG2 GLN 29 -5.694 -0.778 -5.101 223 HG3 GLN 29 HG3 GLN 29 -4.836 -1.829 -6.169 224 HE21 GLN 29 HE21 GLN 29 -7.652 0.354 -6.697 225 HE22 GLN 29 HE22 GLN 29 -6.880 1.317 -7.930 226 H ALA 30 HN ALA 30 -4.425 -3.345 -4.462 227 HA ALA 30 HA ALA 30 -3.683 -5.198 -6.594 228 HB1 ALA 30 HB1 ALA 30 -1.452 -4.841 -5.889 229 HB2 ALA 30 HB2 ALA 30 -2.275 -3.262 -5.790 230 HB3 ALA 30 HB3 ALA 30 -1.952 -4.201 -4.319 231 H LEU 31 HN LEU 31 -4.079 -5.433 -3.031 232 HA LEU 31 HA LEU 31 -3.362 -8.240 -2.852 233 HB2 LEU 31 HB2 LEU 31 -5.104 -6.427 -1.135 234 HB3 LEU 31 HB3 LEU 31 -5.032 -8.154 -0.922 235 HG LEU 31 HG LEU 31 -3.576 -7.557 0.678 236 HD11 LEU 31 HD11 LEU 31 -2.366 -9.108 -0.722 237 HD12 LEU 31 HD12 LEU 31 -1.293 -7.989 0.117 238 HD13 LEU 31 HD13 LEU 31 -1.642 -7.746 -1.608 239 HD21 LEU 31 HD21 LEU 31 -1.972 -5.706 0.585 240 HD22 LEU 31 HD22 LEU 31 -3.682 -5.235 0.400 241 HD23 LEU 31 HD23 LEU 31 -2.627 -5.300 -1.012 242 H GLY 32 HN GLY 32 -6.558 -6.556 -3.131 243 HA2 GLY 32 HA2 GLY 32 -7.761 -7.629 -5.155 244 HA3 GLY 32 HA1 GLY 32 -7.677 -9.098 -4.226 245 H TYR 33 HN TYR 33 -8.177 -6.311 -2.209 246 HA TYR 33 HA TYR 33 -10.856 -7.228 -1.475 247 HB2 TYR 33 HB2 TYR 33 -9.128 -4.917 -0.505 248 HB3 TYR 33 HB3 TYR 33 -10.649 -5.425 0.200 249 HD1 TYR 33 HD1 TYR 33 -10.815 -7.533 1.502 250 HD2 TYR 33 HD2 TYR 33 -7.063 -6.059 -0.017 251 HE1 TYR 33 HE1 TYR 33 -9.657 -8.867 3.178 252 HE2 TYR 33 HE2 TYR 33 -5.842 -7.485 1.609 253 HH TYR 33 HH TYR 33 -7.461 -9.303 4.195 254 H VAL 34 HN VAL 34 -11.328 -6.631 -3.943 255 HA VAL 34 HA VAL 34 -11.883 -3.760 -4.381 256 HB VAL 34 HB VAL 34 -11.059 -4.767 -6.291 257 HG11 VAL 34 HG11 VAL 34 -11.937 -6.761 -7.386 258 HG12 VAL 34 HG12 VAL 34 -11.263 -7.153 -5.811 259 HG13 VAL 34 HG13 VAL 34 -13.032 -7.055 -6.021 260 HG21 VAL 34 HG21 VAL 34 -14.041 -4.965 -6.834 261 HG22 VAL 34 HG22 VAL 34 -13.173 -3.408 -6.686 262 HG23 VAL 34 HG23 VAL 34 -12.745 -4.553 -7.962 263 H TRP 35 HN TRP 35 -13.968 -2.874 -4.451 264 HA TRP 35 HA TRP 35 -16.024 -4.179 -2.839 265 HB2 TRP 35 HB2 TRP 35 -15.707 -1.761 -2.744 266 HB3 TRP 35 HB3 TRP 35 -15.886 -1.620 -4.483 267 HD1 TRP 35 HD1 TRP 35 -18.235 -1.226 -5.385 268 HE1 TRP 35 HE1 TRP 35 -20.581 -1.111 -4.405 269 HE3 TRP 35 HE3 TRP 35 -17.176 -3.055 -0.732 270 HZ2 TRP 35 HZ2 TRP 35 -21.887 -1.897 -1.892 271 HZ3 TRP 35 HZ3 TRP 35 -18.981 -3.408 0.910 272 HH2 TRP 35 HH2 TRP 35 -21.323 -2.827 0.338 273 H ASP 36 HN ASP 36 -17.623 -5.557 -3.684 274 HA ASP 36 HA ASP 36 -18.027 -5.487 -6.606 275 HB2 ASP 36 HB2 ASP 36 -17.633 -7.715 -4.882 276 HB3 ASP 36 HB3 ASP 36 -19.322 -7.728 -5.269 277 H GLU 37 HN GLU 37 -19.311 -3.867 -6.821 278 HA GLU 37 HA GLU 37 -21.401 -2.912 -5.214 279 HB2 GLU 37 HB2 GLU 37 -20.280 -1.609 -6.853 280 HB3 GLU 37 HB3 GLU 37 -20.605 -2.764 -8.120 281 HG2 GLU 37 HG2 GLU 37 -23.012 -2.109 -8.102 282 HG3 GLU 37 HG3 GLU 37 -22.639 -0.899 -6.862 283 H ALA 38 HN ALA 38 -21.418 -5.521 -7.543 284 HA ALA 38 HA ALA 38 -24.296 -5.705 -7.846 285 HB1 ALA 38 HB1 ALA 38 -22.150 -7.851 -8.169 286 HB2 ALA 38 HB2 ALA 38 -23.827 -7.984 -8.703 287 HB3 ALA 38 HB3 ALA 38 -22.765 -6.797 -9.468 288 H GLN 39 HN GLN 39 -21.898 -7.145 -5.666 289 HA GLN 39 HA GLN 39 -23.877 -8.882 -4.350 290 HB2 GLN 39 HB2 GLN 39 -20.890 -8.565 -3.909 291 HB3 GLN 39 HB3 GLN 39 -21.938 -9.737 -3.115 292 HG2 GLN 39 HG2 GLN 39 -22.593 -10.659 -5.348 293 HG3 GLN 39 HG3 GLN 39 -21.381 -9.596 -6.061 294 HE21 GLN 39 HE21 GLN 39 -19.328 -10.384 -6.265 295 HE22 GLN 39 HE22 GLN 39 -18.756 -11.864 -5.503 296 H SER 40 HN SER 40 -22.630 -5.733 -4.059 297 HA SER 40 HA SER 40 -22.276 -4.206 -2.605 298 HB2 SER 40 HB2 SER 40 -24.759 -5.237 -1.204 299 HB3 SER 40 HB3 SER 40 -24.010 -3.641 -1.018 300 HG SER 40 HG SER 40 -25.287 -4.768 -3.268 301 H CYS 41 HN CYS 41 -20.601 -6.317 -2.254 302 HA CYS 41 HA CYS 41 -19.850 -5.816 0.534 303 HB2 CYS 41 HB2 CYS 41 -20.332 -8.652 -0.477 304 HB3 CYS 41 HB3 CYS 41 -19.236 -8.284 0.855 305 HG CYS 41 HG CYS 41 -20.847 -7.183 2.446 306 H TRP 42 HN TRP 42 -17.681 -6.476 0.957 307 HA TRP 42 HA TRP 42 -15.804 -5.871 -1.131 308 HB2 TRP 42 HB2 TRP 42 -15.483 -7.099 1.636 309 HB3 TRP 42 HB3 TRP 42 -14.158 -6.561 0.589 310 HD1 TRP 42 HD1 TRP 42 -16.415 -5.345 3.257 311 HE1 TRP 42 HE1 TRP 42 -16.495 -2.775 3.363 312 HE3 TRP 42 HE3 TRP 42 -13.900 -4.237 -1.072 313 HZ2 TRP 42 HZ2 TRP 42 -15.413 -0.567 1.921 314 HZ3 TRP 42 HZ3 TRP 42 -13.579 -1.877 -1.744 315 HH2 TRP 42 HH2 TRP 42 -14.310 -0.029 -0.267 316 H LYS 43 HN LYS 43 -15.225 -7.311 -2.843 317 HA LYS 43 HA LYS 43 -15.727 -10.037 -2.800 318 HB2 LYS 43 HB2 LYS 43 -15.381 -8.038 -4.648 319 HB3 LYS 43 HB3 LYS 43 -13.695 -8.569 -4.462 320 HG2 LYS 43 HG2 LYS 43 -14.655 -10.881 -4.610 321 HG3 LYS 43 HG3 LYS 43 -16.119 -10.159 -5.302 322 HD2 LYS 43 HD2 LYS 43 -13.293 -9.752 -6.418 323 HD3 LYS 43 HD3 LYS 43 -14.432 -10.992 -6.995 324 HE2 LYS 43 HE2 LYS 43 -16.103 -9.169 -7.406 325 HE3 LYS 43 HE3 LYS 43 -14.878 -7.960 -7.050 326 HZ1 LYS 43 HZ1 LYS 43 -14.375 -9.992 -9.109 327 HZ2 LYS 43 HZ2 LYS 43 -13.844 -8.398 -9.032 328 HZ3 LYS 43 HZ3 LYS 43 -15.391 -8.749 -9.427 329 H THR 44 HN THR 44 -14.225 -11.661 -2.135 330 HA THR 44 HA THR 44 -11.451 -10.705 -1.768 331 HB THR 44 HB THR 44 -11.114 -12.151 0.104 332 HG1 THR 44 HG1 THR 44 -13.864 -12.769 -0.183 333 HG21 THR 44 HG21 THR 44 -12.367 -10.942 1.785 334 HG22 THR 44 HG22 THR 44 -13.495 -10.349 0.551 335 HG23 THR 44 HG23 THR 44 -11.798 -9.840 0.521 336 H ASP 45 HN ASP 45 -13.137 -12.411 -3.964 337 HA ASP 45 HA ASP 45 -11.851 -14.950 -4.090 338 HB2 ASP 45 HB2 ASP 45 -12.867 -13.070 -6.256 339 HB3 ASP 45 HB3 ASP 45 -12.402 -14.748 -6.548 340 H LEU 46 HN LEU 46 -10.921 -11.678 -5.039 341 HA LEU 46 HA LEU 46 -8.822 -12.546 -6.757 342 HB2 LEU 46 HB2 LEU 46 -10.000 -9.868 -5.934 343 HB3 LEU 46 HB3 LEU 46 -8.592 -9.954 -6.977 344 HG LEU 46 HG LEU 46 -11.267 -11.258 -7.627 345 HD11 LEU 46 HD11 LEU 46 -9.976 -8.692 -8.609 346 HD12 LEU 46 HD12 LEU 46 -11.475 -8.875 -7.686 347 HD13 LEU 46 HD13 LEU 46 -11.401 -9.456 -9.352 348 HD21 LEU 46 HD21 LEU 46 -9.526 -12.476 -8.718 349 HD22 LEU 46 HD22 LEU 46 -8.653 -10.988 -9.178 350 HD23 LEU 46 HD23 LEU 46 -10.206 -11.398 -9.923 351 H VAL 47 HN VAL 47 -8.823 -12.627 -3.559 352 HA VAL 47 HA VAL 47 -6.084 -11.511 -3.278 353 HB VAL 47 HB VAL 47 -7.457 -9.993 -2.280 354 HG11 VAL 47 HG11 VAL 47 -9.032 -10.142 -0.556 355 HG12 VAL 47 HG12 VAL 47 -9.473 -10.872 -2.099 356 HG13 VAL 47 HG13 VAL 47 -8.966 -11.898 -0.743 357 HG21 VAL 47 HG21 VAL 47 -6.516 -11.588 0.104 358 HG22 VAL 47 HG22 VAL 47 -5.456 -10.546 -0.879 359 HG23 VAL 47 HG23 VAL 47 -6.791 -9.845 0.038 360 H ALA 48 HN ALA 48 -4.704 -12.545 -1.680 361 HA ALA 48 HA ALA 48 -4.813 -15.393 -1.878 362 HB1 ALA 48 HB1 ALA 48 -2.715 -14.162 -1.781 363 HB2 ALA 48 HB2 ALA 48 -3.093 -13.572 -0.143 364 HB3 ALA 48 HB3 ALA 48 -2.795 -15.297 -0.427 365 HA PRO 49 HA PRO 49 -7.386 -16.399 1.547 366 HB2 PRO 49 HB2 PRO 49 -6.333 -18.765 2.459 367 HB3 PRO 49 HB3 PRO 49 -7.255 -18.591 0.931 368 HG2 PRO 49 HG2 PRO 49 -4.257 -18.636 1.294 369 HG3 PRO 49 HG3 PRO 49 -5.250 -19.528 0.094 370 HD2 PRO 49 HD2 PRO 49 -4.016 -17.201 -0.552 371 HD3 PRO 49 HD3 PRO 49 -5.643 -17.595 -1.179 372 H GLU 50 HN GLU 50 -3.841 -16.542 2.210 373 HA GLU 50 HA GLU 50 -3.962 -16.315 4.996 374 HB2 GLU 50 HB2 GLU 50 -1.684 -15.567 4.895 375 HB3 GLU 50 HB3 GLU 50 -1.936 -16.792 3.659 376 HG2 GLU 50 HG2 GLU 50 -2.112 -14.918 1.934 377 HG3 GLU 50 HG3 GLU 50 -1.757 -13.778 3.209 378 H TRP 51 HN TRP 51 -4.457 -13.821 2.549 379 HA TRP 51 HA TRP 51 -4.254 -11.614 4.473 380 HB2 TRP 51 HB2 TRP 51 -4.553 -11.869 1.505 381 HB3 TRP 51 HB3 TRP 51 -5.216 -10.443 2.276 382 HD1 TRP 51 HD1 TRP 51 -1.934 -11.911 1.198 383 HE1 TRP 51 HE1 TRP 51 -0.061 -10.354 1.663 384 HE3 TRP 51 HE3 TRP 51 -4.491 -8.610 4.188 385 HZ2 TRP 51 HZ2 TRP 51 0.379 -7.877 3.396 386 HZ3 TRP 51 HZ3 TRP 51 -3.322 -6.714 5.227 387 HH2 TRP 51 HH2 TRP 51 -0.901 -6.329 4.815 388 H ARG 52 HN ARG 52 -6.836 -13.043 2.415 389 HA ARG 52 HA ARG 52 -8.790 -11.354 3.681 390 HB2 ARG 52 HB2 ARG 52 -10.428 -12.407 2.363 391 HB3 ARG 52 HB3 ARG 52 -8.980 -12.112 1.425 392 HG2 ARG 52 HG2 ARG 52 -8.638 -14.756 2.349 393 HG3 ARG 52 HG3 ARG 52 -10.372 -14.633 2.043 394 HD2 ARG 52 HD2 ARG 52 -9.672 -13.608 -0.274 395 HD3 ARG 52 HD3 ARG 52 -8.083 -14.132 0.094 396 HE ARG 52 HE ARG 52 -8.648 -16.293 -0.399 397 HH11 ARG 52 HH11 ARG 52 -11.770 -14.492 -0.111 398 HH12 ARG 52 HH12 ARG 52 -12.691 -15.844 -0.566 399 HH21 ARG 52 HH21 ARG 52 -9.874 -17.995 -0.904 400 HH22 ARG 52 HH22 ARG 52 -11.614 -17.939 -1.032 401 H GLN 53 HN GLN 53 -7.414 -14.264 4.831 402 HA GLN 53 HA GLN 53 -9.316 -15.789 5.864 403 HB2 GLN 53 HB2 GLN 53 -6.503 -15.322 6.353 404 HB3 GLN 53 HB3 GLN 53 -7.275 -15.516 7.919 405 HG2 GLN 53 HG2 GLN 53 -8.258 -17.623 7.245 406 HG3 GLN 53 HG3 GLN 53 -7.677 -17.432 5.588 407 HE21 GLN 53 HE21 GLN 53 -6.211 -19.143 5.380 408 HE22 GLN 53 HE22 GLN 53 -4.830 -19.366 6.436 409 H ASP 54 HN ASP 54 -8.224 -12.847 7.526 410 HA ASP 54 HA ASP 54 -10.460 -13.132 9.488 411 HB2 ASP 54 HB2 ASP 54 -7.560 -12.299 9.842 412 HB3 ASP 54 HB3 ASP 54 -8.794 -11.819 10.993 413 H TYR 55 HN TYR 55 -10.045 -11.600 6.803 414 HA TYR 55 HA TYR 55 -10.158 -8.770 7.740 415 HB2 TYR 55 HB2 TYR 55 -8.863 -10.028 5.332 416 HB3 TYR 55 HB3 TYR 55 -9.349 -8.337 5.377 417 HD1 TYR 55 HD1 TYR 55 -7.536 -10.595 7.860 418 HD2 TYR 55 HD2 TYR 55 -7.518 -6.932 5.562 419 HE1 TYR 55 HE1 TYR 55 -5.688 -9.778 9.206 420 HE2 TYR 55 HE2 TYR 55 -5.587 -6.160 6.845 421 HH TYR 55 HH TYR 55 -5.032 -7.094 9.767 422 HA PRO 56 HA PRO 56 -14.217 -9.837 5.673 423 HB2 PRO 56 HB2 PRO 56 -15.833 -8.458 7.417 424 HB3 PRO 56 HB3 PRO 56 -15.319 -10.143 7.696 425 HG2 PRO 56 HG2 PRO 56 -14.109 -7.619 8.847 426 HG3 PRO 56 HG3 PRO 56 -14.518 -9.137 9.703 427 HD2 PRO 56 HD2 PRO 56 -11.996 -8.589 8.870 428 HD3 PRO 56 HD3 PRO 56 -12.627 -10.260 8.808 429 H GLU 57 HN GLU 57 -12.633 -6.913 6.916 430 HA GLU 57 HA GLU 57 -13.913 -5.232 4.840 431 HB2 GLU 57 HB2 GLU 57 -14.075 -5.034 7.719 432 HB3 GLU 57 HB3 GLU 57 -12.997 -3.762 7.170 433 HG2 GLU 57 HG2 GLU 57 -14.959 -3.332 5.394 434 HG3 GLU 57 HG3 GLU 57 -15.915 -4.206 6.579 435 HA PRO 58 HA PRO 58 -9.790 -4.383 3.779 436 HB2 PRO 58 HB2 PRO 58 -9.768 -1.989 2.667 437 HB3 PRO 58 HB3 PRO 58 -10.819 -3.260 2.017 438 HG2 PRO 58 HG2 PRO 58 -11.573 -1.000 3.902 439 HG3 PRO 58 HG3 PRO 58 -12.414 -1.516 2.405 440 HD2 PRO 58 HD2 PRO 58 -13.080 -2.360 4.949 441 HD3 PRO 58 HD3 PRO 58 -13.377 -3.359 3.493 442 HA PRO 59 HA PRO 59 -7.735 -2.546 7.194 443 HB2 PRO 59 HB2 PRO 59 -5.140 -2.378 6.313 444 HB3 PRO 59 HB3 PRO 59 -6.012 -3.914 6.612 445 HG2 PRO 59 HG2 PRO 59 -5.616 -2.500 3.963 446 HG3 PRO 59 HG3 PRO 59 -5.341 -4.228 4.350 447 HD2 PRO 59 HD2 PRO 59 -7.640 -3.299 3.197 448 HD3 PRO 59 HD3 PRO 59 -7.641 -4.669 4.350 449 H ASP 60 HN ASP 60 -8.062 -0.485 7.912 450 HA ASP 60 HA ASP 60 -7.807 1.783 6.093 451 HB2 ASP 60 HB2 ASP 60 -9.696 1.507 7.696 452 HB3 ASP 60 HB3 ASP 60 -8.555 1.717 9.044 453 H PHE 61 HN PHE 61 -5.385 1.664 5.803 454 HA PHE 61 HA PHE 61 -3.603 1.793 8.068 455 HB2 PHE 61 HB2 PHE 61 -3.062 2.841 5.281 456 HB3 PHE 61 HB3 PHE 61 -1.865 2.425 6.495 457 HD1 PHE 61 HD1 PHE 61 -4.252 1.041 4.021 458 HD2 PHE 61 HD2 PHE 61 -1.194 0.116 6.940 459 HE1 PHE 61 HE1 PHE 61 -4.034 -1.217 3.092 460 HE2 PHE 61 HE2 PHE 61 -1.052 -2.186 6.043 461 HZ PHE 61 HZ PHE 61 -2.461 -2.850 4.109 462 H ILE 62 HN ILE 62 -5.621 4.227 6.745 463 HA ILE 62 HA ILE 62 -4.007 6.523 7.355 464 HB ILE 62 HB ILE 62 -7.027 6.429 7.128 465 HG12 ILE 62 HG12 ILE 62 -6.349 5.181 5.240 466 HG13 ILE 62 HG13 ILE 62 -6.894 6.723 4.688 467 HG21 ILE 62 HG21 ILE 62 -6.588 8.705 6.062 468 HG22 ILE 62 HG22 ILE 62 -6.328 8.545 7.779 469 HG23 ILE 62 HG23 ILE 62 -4.924 8.560 6.689 470 HD11 ILE 62 HD11 ILE 62 -4.108 5.648 4.789 471 HD12 ILE 62 HD12 ILE 62 -5.025 6.153 3.376 472 HD13 ILE 62 HD13 ILE 62 -4.421 7.393 4.499 473 H ALA 63 HN ALA 63 -5.851 4.298 9.320 474 HA ALA 63 HA ALA 63 -5.986 6.228 11.596 475 HB1 ALA 63 HB1 ALA 63 -8.211 5.186 12.033 476 HB2 ALA 63 HB2 ALA 63 -8.170 6.036 10.470 477 HB3 ALA 63 HB3 ALA 63 -8.028 4.268 10.528 478 H SER 64 HN SER 64 -5.777 2.782 10.491 479 HA SER 64 HA SER 64 -5.352 1.984 13.286 480 HB2 SER 64 HB2 SER 64 -6.157 -0.122 12.569 481 HB3 SER 64 HB3 SER 64 -7.265 1.124 12.036 482 HG SER 64 HG SER 64 -6.997 -0.313 10.416 483 H ARG 65 HN ARG 65 -3.839 -0.170 13.357 484 HA ARG 65 HA ARG 65 -2.111 -0.237 11.082 485 HB2 ARG 65 HB2 ARG 65 0.077 -0.090 12.193 486 HB3 ARG 65 HB3 ARG 65 -0.859 1.380 12.227 487 HG2 ARG 65 HG2 ARG 65 0.106 1.393 14.276 488 HG3 ARG 65 HG3 ARG 65 -1.514 0.822 14.651 489 HD2 ARG 65 HD2 ARG 65 -0.709 -1.458 14.929 490 HD3 ARG 65 HD3 ARG 65 0.870 -1.050 14.254 491 HE ARG 65 HE ARG 65 -0.133 -0.662 16.943 492 HH11 ARG 65 HH11 ARG 65 2.432 0.353 14.652 493 HH12 ARG 65 HH12 ARG 65 3.309 1.235 15.865 494 HH21 ARG 65 HH21 ARG 65 1.325 0.101 18.552 495 HH22 ARG 65 HH22 ARG 65 2.736 1.016 18.077 496 HA PRO 66 HA PRO 66 -2.461 -4.385 13.182 497 HB2 PRO 66 HB2 PRO 66 -4.622 -5.573 12.095 498 HB3 PRO 66 HB3 PRO 66 -4.746 -4.507 13.522 499 HG2 PRO 66 HG2 PRO 66 -5.324 -3.802 10.625 500 HG3 PRO 66 HG3 PRO 66 -6.295 -3.421 12.078 501 HD2 PRO 66 HD2 PRO 66 -4.514 -1.640 10.971 502 HD3 PRO 66 HD3 PRO 66 -4.848 -1.727 12.733 503 H ALA 67 HN ALA 67 -3.462 -3.621 9.800 504 HA ALA 67 HA ALA 67 -2.403 -6.008 8.626 505 HB1 ALA 67 HB1 ALA 67 -3.064 -3.305 7.364 506 HB2 ALA 67 HB2 ALA 67 -2.837 -4.840 6.513 507 HB3 ALA 67 HB3 ALA 67 -4.198 -4.643 7.639 508 H THR 68 HN THR 68 -0.970 -2.879 9.477 509 HA THR 68 HA THR 68 1.178 -2.765 7.803 510 HB THR 68 HB THR 68 0.948 -1.985 10.737 511 HG1 THR 68 HG1 THR 68 0.495 0.075 9.563 512 HG21 THR 68 HG21 THR 68 2.872 -1.001 8.596 513 HG22 THR 68 HG22 THR 68 3.308 -1.858 10.090 514 HG23 THR 68 HG23 THR 68 2.623 -0.230 10.179 515 H VAL 69 HN VAL 69 0.889 -4.986 10.591 516 HA VAL 69 HA VAL 69 3.608 -5.915 10.595 517 HB VAL 69 HB VAL 69 1.039 -7.357 11.405 518 HG11 VAL 69 HG11 VAL 69 2.520 -8.631 12.942 519 HG12 VAL 69 HG12 VAL 69 2.987 -8.882 11.257 520 HG13 VAL 69 HG13 VAL 69 3.932 -7.778 12.283 521 HG21 VAL 69 HG21 VAL 69 1.422 -6.579 13.676 522 HG22 VAL 69 HG22 VAL 69 2.827 -5.623 13.149 523 HG23 VAL 69 HG23 VAL 69 1.191 -5.199 12.611 524 H LYS 70 HN LYS 70 0.591 -7.048 9.135 525 HA LYS 70 HA LYS 70 1.526 -9.394 7.877 526 HB2 LYS 70 HB2 LYS 70 -0.819 -8.594 8.560 527 HB3 LYS 70 HB3 LYS 70 -0.861 -7.674 7.062 528 HG2 LYS 70 HG2 LYS 70 -0.785 -9.663 5.731 529 HG3 LYS 70 HG3 LYS 70 -0.280 -10.644 7.097 530 HD2 LYS 70 HD2 LYS 70 -2.536 -10.058 8.223 531 HD3 LYS 70 HD3 LYS 70 -2.983 -9.277 6.711 532 HE2 LYS 70 HE2 LYS 70 -3.940 -11.416 6.604 533 HE3 LYS 70 HE3 LYS 70 -2.519 -11.500 5.547 534 HZ1 LYS 70 HZ1 LYS 70 -1.368 -12.726 7.244 535 HZ2 LYS 70 HZ2 LYS 70 -2.849 -13.403 7.026 536 HZ3 LYS 70 HZ3 LYS 70 -2.586 -12.471 8.342 537 H LEU 71 HN LEU 71 1.208 -6.063 6.864 538 HA LEU 71 HA LEU 71 1.970 -6.226 4.159 539 HB2 LEU 71 HB2 LEU 71 1.014 -4.243 5.768 540 HB3 LEU 71 HB3 LEU 71 2.729 -3.849 5.838 541 HG LEU 71 HG LEU 71 2.699 -3.895 3.297 542 HD11 LEU 71 HD11 LEU 71 0.519 -5.072 2.937 543 HD12 LEU 71 HD12 LEU 71 0.442 -3.446 2.259 544 HD13 LEU 71 HD13 LEU 71 -0.322 -3.774 3.821 545 HD21 LEU 71 HD21 LEU 71 1.000 -1.856 4.756 546 HD22 LEU 71 HD22 LEU 71 1.726 -1.641 3.149 547 HD23 LEU 71 HD23 LEU 71 2.774 -1.823 4.571 548 H THR 72 HN THR 72 3.992 -5.593 7.152 549 HA THR 72 HA THR 72 6.460 -5.416 5.765 550 HB THR 72 HB THR 72 5.638 -6.034 8.603 551 HG1 THR 72 HG1 THR 72 7.348 -3.999 7.757 552 HG21 THR 72 HG21 THR 72 7.695 -7.287 8.461 553 HG22 THR 72 HG22 THR 72 8.059 -5.754 9.261 554 HG23 THR 72 HG23 THR 72 8.499 -5.993 7.557 555 H ARG 73 HN ARG 73 4.544 -8.334 6.707 556 HA ARG 73 HA ARG 73 6.707 -10.088 6.365 557 HB2 ARG 73 HB2 ARG 73 3.812 -10.697 5.701 558 HB3 ARG 73 HB3 ARG 73 5.120 -11.840 5.952 559 HG2 ARG 73 HG2 ARG 73 5.319 -10.328 8.274 560 HG3 ARG 73 HG3 ARG 73 3.592 -10.219 7.943 561 HD2 ARG 73 HD2 ARG 73 3.976 -12.053 9.393 562 HD3 ARG 73 HD3 ARG 73 3.520 -12.700 7.797 563 HE ARG 73 HE ARG 73 6.405 -12.394 8.335 564 HH11 ARG 73 HH11 ARG 73 3.700 -14.741 8.308 565 HH12 ARG 73 HH12 ARG 73 4.739 -16.073 7.982 566 HH21 ARG 73 HH21 ARG 73 7.749 -14.201 8.115 567 HH22 ARG 73 HH22 ARG 73 7.118 -15.780 7.918 568 H SER 74 HN SER 74 4.696 -8.511 3.892 569 HA SER 74 HA SER 74 6.010 -9.852 1.663 570 HB2 SER 74 HB2 SER 74 4.254 -7.378 1.792 571 HB3 SER 74 HB3 SER 74 4.734 -8.223 0.320 572 HG SER 74 HG SER 74 2.969 -9.200 0.577 573 H ILE 75 HN ILE 75 7.322 -7.518 3.786 574 HA ILE 75 HA ILE 75 8.779 -6.187 1.531 575 HB ILE 75 HB ILE 75 8.577 -5.056 4.304 576 HG12 ILE 75 HG12 ILE 75 6.878 -4.190 1.907 577 HG13 ILE 75 HG13 ILE 75 6.277 -5.155 3.242 578 HG21 ILE 75 HG21 ILE 75 9.169 -3.708 1.617 579 HG22 ILE 75 HG22 ILE 75 9.486 -3.087 3.256 580 HG23 ILE 75 HG23 ILE 75 10.435 -4.426 2.599 581 HD11 ILE 75 HD11 ILE 75 5.650 -2.939 3.737 582 HD12 ILE 75 HD12 ILE 75 6.963 -3.353 4.846 583 HD13 ILE 75 HD13 ILE 75 7.283 -2.308 3.432 584 HA PRO 76 HA PRO 76 11.666 -9.156 3.667 585 HB2 PRO 76 HB2 PRO 76 12.928 -10.116 1.454 586 HB3 PRO 76 HB3 PRO 76 11.253 -10.618 1.831 587 HG2 PRO 76 HG2 PRO 76 12.031 -8.379 -0.002 588 HG3 PRO 76 HG3 PRO 76 11.038 -9.834 -0.381 589 HD2 PRO 76 HD2 PRO 76 9.801 -7.576 0.402 590 HD3 PRO 76 HD3 PRO 76 9.298 -9.140 1.094 591 H ALA 77 HN ALA 77 14.213 -9.174 3.345 592 HA ALA 77 HA ALA 77 15.146 -6.615 4.046 593 HB1 ALA 77 HB1 ALA 77 16.737 -9.039 3.162 594 HB2 ALA 77 HB2 ALA 77 17.343 -7.618 4.050 595 HB3 ALA 77 HB3 ALA 77 16.160 -8.695 4.810 596 HA PRO 78 HA PRO 78 16.960 -6.175 -0.407 597 HB2 PRO 78 HB2 PRO 78 15.591 -7.454 -2.478 598 HB3 PRO 78 HB3 PRO 78 17.076 -8.057 -1.686 599 HG2 PRO 78 HG2 PRO 78 14.195 -8.753 -1.029 600 HG3 PRO 78 HG3 PRO 78 15.569 -9.886 -1.245 601 HD2 PRO 78 HD2 PRO 78 14.873 -9.251 1.174 602 HD3 PRO 78 HD3 PRO 78 16.599 -9.205 0.766 603 H TYR 79 HN TYR 79 13.666 -5.941 0.652 604 HA TYR 79 HA TYR 79 13.084 -3.882 -1.420 605 HB2 TYR 79 HB2 TYR 79 11.289 -5.881 -0.066 606 HB3 TYR 79 HB3 TYR 79 10.700 -4.569 -1.067 607 HD1 TYR 79 HD1 TYR 79 12.999 -4.715 -3.163 608 HD2 TYR 79 HD2 TYR 79 10.367 -7.718 -1.554 609 HE1 TYR 79 HE1 TYR 79 13.052 -5.821 -5.259 610 HE2 TYR 79 HE2 TYR 79 10.542 -8.956 -3.677 611 HH TYR 79 HH TYR 79 12.617 -7.918 -6.372 612 H LYS 80 HN LYS 80 14.197 -3.801 1.420 613 HA LYS 80 HA LYS 80 12.129 -2.318 2.913 614 HB2 LYS 80 HB2 LYS 80 15.139 -2.459 3.504 615 HB3 LYS 80 HB3 LYS 80 13.906 -1.823 4.584 616 HG2 LYS 80 HG2 LYS 80 14.361 -4.684 3.794 617 HG3 LYS 80 HG3 LYS 80 14.488 -3.940 5.386 618 HD2 LYS 80 HD2 LYS 80 11.859 -3.411 4.822 619 HD3 LYS 80 HD3 LYS 80 12.102 -4.855 3.847 620 HE2 LYS 80 HE2 LYS 80 11.834 -6.114 5.665 621 HE3 LYS 80 HE3 LYS 80 13.339 -5.467 6.291 622 HZ1 LYS 80 HZ1 LYS 80 12.001 -3.604 7.214 623 HZ2 LYS 80 HZ2 LYS 80 11.542 -5.082 7.836 624 HZ3 LYS 80 HZ3 LYS 80 10.629 -4.321 6.730 625 H GLN 81 HN GLN 81 14.613 -1.260 0.672 626 HA GLN 81 HA GLN 81 14.440 1.506 1.772 627 HB2 GLN 81 HB2 GLN 81 16.696 0.104 0.293 628 HB3 GLN 81 HB3 GLN 81 16.723 1.742 0.933 629 HG2 GLN 81 HG2 GLN 81 16.306 0.759 3.234 630 HG3 GLN 81 HG3 GLN 81 16.594 -0.836 2.532 631 HE21 GLN 81 HE21 GLN 81 18.760 -1.213 1.439 632 HE22 GLN 81 HE22 GLN 81 20.115 -0.283 2.037 633 H LEU 82 HN LEU 82 13.100 -0.121 -0.633 634 HA LEU 82 HA LEU 82 13.996 0.785 -3.039 635 HB2 LEU 82 HB2 LEU 82 11.081 0.257 -2.370 636 HB3 LEU 82 HB3 LEU 82 11.819 0.243 -3.979 637 HG LEU 82 HG LEU 82 12.486 -1.693 -1.766 638 HD11 LEU 82 HD11 LEU 82 10.202 -1.921 -2.674 639 HD12 LEU 82 HD12 LEU 82 11.201 -3.291 -3.158 640 HD13 LEU 82 HD13 LEU 82 10.848 -2.002 -4.323 641 HD21 LEU 82 HD21 LEU 82 13.822 -2.891 -3.370 642 HD22 LEU 82 HD22 LEU 82 14.390 -1.254 -3.407 643 HD23 LEU 82 HD23 LEU 82 13.318 -1.818 -4.695 644 H LEU 83 HN LEU 83 11.901 2.693 -0.850 645 HA LEU 83 HA LEU 83 11.026 4.626 -2.599 646 HB2 LEU 83 HB2 LEU 83 11.937 4.605 0.296 647 HB3 LEU 83 HB3 LEU 83 11.552 6.105 -0.473 648 HG LEU 83 HG LEU 83 9.597 5.218 0.752 649 HD11 LEU 83 HD11 LEU 83 8.945 4.838 -2.183 650 HD12 LEU 83 HD12 LEU 83 9.003 6.429 -1.403 651 HD13 LEU 83 HD13 LEU 83 7.817 5.228 -0.886 652 HD21 LEU 83 HD21 LEU 83 8.472 3.450 0.446 653 HD22 LEU 83 HD22 LEU 83 10.147 3.074 0.913 654 HD23 LEU 83 HD23 LEU 83 9.617 2.787 -0.777 655 H LYS 84 HN LYS 84 14.384 4.206 -1.373 656 HA LYS 84 HA LYS 84 15.059 6.787 -2.696 657 HB2 LYS 84 HB2 LYS 84 15.820 6.516 -0.359 658 HB3 LYS 84 HB3 LYS 84 16.836 5.154 -0.853 659 HG2 LYS 84 HG2 LYS 84 18.399 6.517 -1.863 660 HG3 LYS 84 HG3 LYS 84 17.170 7.579 -2.522 661 HD2 LYS 84 HD2 LYS 84 18.365 8.951 -1.085 662 HD3 LYS 84 HD3 LYS 84 16.884 8.589 -0.204 663 HE2 LYS 84 HE2 LYS 84 18.125 6.849 1.115 664 HE3 LYS 84 HE3 LYS 84 19.583 7.199 0.171 665 HZ1 LYS 84 HZ1 LYS 84 19.751 8.363 2.176 666 HZ2 LYS 84 HZ2 LYS 84 18.247 8.975 2.110 667 HZ3 LYS 84 HZ3 LYS 84 19.375 9.540 1.059 668 H GLU 85 HN GLU 85 15.966 3.375 -2.556 669 HA GLU 85 HA GLU 85 17.992 3.322 -4.503 670 HB2 GLU 85 HB2 GLU 85 15.926 1.212 -3.739 671 HB3 GLU 85 HB3 GLU 85 17.258 0.919 -4.840 672 HG2 GLU 85 HG2 GLU 85 18.846 1.682 -3.037 673 HG3 GLU 85 HG3 GLU 85 17.478 1.730 -1.913 674 H GLU 86 HN GLU 86 14.441 2.794 -5.034 675 HA GLU 86 HA GLU 86 14.962 2.661 -7.898 676 HB2 GLU 86 HB2 GLU 86 12.277 2.522 -6.484 677 HB3 GLU 86 HB3 GLU 86 12.713 1.894 -8.072 678 HG2 GLU 86 HG2 GLU 86 13.636 0.860 -5.353 679 HG3 GLU 86 HG3 GLU 86 12.528 0.064 -6.444 680 H LEU 87 HN LEU 87 13.134 4.775 -5.667 681 HA LEU 87 HA LEU 87 12.423 6.519 -7.961 682 HB2 LEU 87 HB2 LEU 87 11.277 7.395 -5.436 683 HB3 LEU 87 HB3 LEU 87 10.547 7.053 -6.987 684 HG LEU 87 HG LEU 87 11.092 4.876 -4.996 685 HD11 LEU 87 HD11 LEU 87 8.661 6.686 -5.379 686 HD12 LEU 87 HD12 LEU 87 9.674 6.559 -3.926 687 HD13 LEU 87 HD13 LEU 87 8.647 5.198 -4.427 688 HD21 LEU 87 HD21 LEU 87 9.139 5.167 -7.317 689 HD22 LEU 87 HD22 LEU 87 9.317 3.740 -6.290 690 HD23 LEU 87 HD23 LEU 87 10.638 4.209 -7.374 691 H GLY 88 HN GLY 88 13.815 6.864 -4.676 692 HA2 GLY 88 HA2 GLY 88 15.668 8.447 -4.320 693 HA3 GLY 88 HA1 GLY 88 14.878 9.564 -5.417 694 H PHE 89 HN PHE 89 12.612 8.005 -3.311 695 HA PHE 89 HA PHE 89 12.274 10.417 -1.642 696 HB2 PHE 89 HB2 PHE 89 10.255 9.170 -2.475 697 HB3 PHE 89 HB3 PHE 89 10.819 7.724 -1.673 698 HD1 PHE 89 HD2 PHE 89 9.829 11.311 -0.870 699 HD2 PHE 89 HD1 PHE 89 10.131 7.263 0.520 700 HE1 PHE 89 HE2 PHE 89 8.553 11.881 1.189 701 HE2 PHE 89 HE1 PHE 89 8.783 7.716 2.425 702 HZ PHE 89 HZ PHE 89 7.986 10.110 2.846 703 H ALA 90 HN ALA 90 12.087 9.957 0.818 704 HA ALA 90 HA ALA 90 13.470 7.582 1.753 705 HB1 ALA 90 HB1 ALA 90 15.438 8.981 1.573 706 HB2 ALA 90 HB2 ALA 90 14.614 10.324 2.387 707 HB3 ALA 90 HB3 ALA 90 15.005 8.841 3.285 708 H GLY 91 HN GLY 91 12.502 10.862 3.047 709 HA2 GLY 91 HA2 GLY 91 10.109 9.825 4.234 710 HA3 GLY 91 HA1 GLY 91 11.386 10.192 5.422 711 H TYR 92 HN TYR 92 9.026 11.652 5.451 712 HA TYR 92 HA TYR 92 9.318 14.149 4.016 713 HB2 TYR 92 HB2 TYR 92 7.572 13.303 6.369 714 HB3 TYR 92 HB3 TYR 92 7.439 14.830 5.558 715 HD1 TYR 92 HD1 TYR 92 6.889 14.957 3.096 716 HD2 TYR 92 HD2 TYR 92 6.609 11.290 5.366 717 HE1 TYR 92 HE1 TYR 92 5.425 14.015 1.362 718 HE2 TYR 92 HE2 TYR 92 5.149 10.339 3.674 719 HH TYR 92 HH TYR 92 4.239 12.206 0.677 720 H SER 93 HN SER 93 9.899 16.122 4.769 721 HA SER 93 HA SER 93 11.725 16.408 7.019 722 HB2 SER 93 HB2 SER 93 10.463 18.149 4.964 723 HB3 SER 93 HB3 SER 93 10.859 18.968 6.389 724 HG SER 93 HG SER 93 13.017 17.513 5.809 725 H ILE 94 HN ILE 94 11.348 18.231 8.439 726 HA ILE 94 HA ILE 94 9.387 17.270 10.325 727 HB ILE 94 HB ILE 94 11.489 18.103 11.148 728 HG12 ILE 94 HG12 ILE 94 10.651 19.582 12.973 729 HG13 ILE 94 HG13 ILE 94 9.116 19.746 12.166 730 HG21 ILE 94 HG21 ILE 94 10.559 20.913 10.446 731 HG22 ILE 94 HG22 ILE 94 12.072 20.426 11.207 732 HG23 ILE 94 HG23 ILE 94 11.770 20.003 9.520 733 HD11 ILE 94 HD11 ILE 94 8.666 17.339 12.420 734 HD12 ILE 94 HD12 ILE 94 10.286 17.101 13.127 735 HD13 ILE 94 HD13 ILE 94 9.062 18.062 13.984 736 H ASN 95 HN ASN 95 9.514 20.172 8.361 737 HA ASN 95 HA ASN 95 7.133 21.363 9.440 738 HB2 ASN 95 HB2 ASN 95 7.205 22.840 7.470 739 HB3 ASN 95 HB3 ASN 95 8.772 22.750 8.273 740 HD21 ASN 95 HD21 ASN 95 10.560 21.945 7.059 741 HD22 ASN 95 HD22 ASN 95 10.374 21.431 5.389 742 H GLU 96 HN GLU 96 7.520 18.626 7.478 743 HA GLU 96 HA GLU 96 4.818 18.827 6.383 744 HB2 GLU 96 HB2 GLU 96 5.582 17.298 4.553 745 HB3 GLU 96 HB3 GLU 96 6.021 19.036 4.549 746 HG2 GLU 96 HG2 GLU 96 8.112 18.617 5.373 747 HG3 GLU 96 HG3 GLU 96 7.836 16.865 5.450 748 H LEU 97 HN LEU 97 6.523 17.356 8.851 749 HA LEU 97 HA LEU 97 5.702 14.637 8.466 750 HB2 LEU 97 HB2 LEU 97 7.257 16.247 10.454 751 HB3 LEU 97 HB3 LEU 97 6.375 14.918 11.129 752 HG LEU 97 HG LEU 97 8.429 14.667 8.895 753 HD11 LEU 97 HD11 LEU 97 8.532 13.845 11.835 754 HD12 LEU 97 HD12 LEU 97 9.395 15.217 11.112 755 HD13 LEU 97 HD13 LEU 97 9.812 13.580 10.615 756 HD21 LEU 97 HD21 LEU 97 6.756 12.875 8.670 757 HD22 LEU 97 HD22 LEU 97 6.922 12.495 10.400 758 HD23 LEU 97 HD23 LEU 97 8.274 12.253 9.256 759 H VAL 98 HN VAL 98 3.599 14.200 8.529 760 HA VAL 98 HA VAL 98 2.067 15.013 10.942 761 HB VAL 98 HB VAL 98 0.024 15.194 9.477 762 HG11 VAL 98 HG11 VAL 98 2.256 17.103 8.731 763 HG12 VAL 98 HG12 VAL 98 0.525 17.392 8.578 764 HG13 VAL 98 HG13 VAL 98 1.239 17.196 10.192 765 HG21 VAL 98 HG21 VAL 98 0.797 13.925 7.510 766 HG22 VAL 98 HG22 VAL 98 0.211 15.528 7.093 767 HG23 VAL 98 HG23 VAL 98 1.949 15.233 7.146 768 HA PRO 99 HA PRO 99 0.957 10.669 11.143 769 HB2 PRO 99 HB2 PRO 99 -1.783 10.691 11.505 770 HB3 PRO 99 HB3 PRO 99 -0.576 11.033 12.788 771 HG2 PRO 99 HG2 PRO 99 -2.045 13.056 11.072 772 HG3 PRO 99 HG3 PRO 99 -1.883 13.024 12.853 773 HD2 PRO 99 HD2 PRO 99 -0.217 14.548 11.442 774 HD3 PRO 99 HD3 PRO 99 0.454 13.529 12.734 775 H ARG 100 HN ARG 100 -0.943 12.854 9.028 776 HA ARG 100 HA ARG 100 -2.007 10.747 7.346 777 HB2 ARG 100 HB2 ARG 100 -1.851 13.768 7.053 778 HB3 ARG 100 HB3 ARG 100 -2.696 12.715 5.917 779 HG2 ARG 100 HG2 ARG 100 -4.192 11.892 7.699 780 HG3 ARG 100 HG3 ARG 100 -3.299 12.807 8.896 781 HD2 ARG 100 HD2 ARG 100 -3.947 14.868 7.274 782 HD3 ARG 100 HD3 ARG 100 -5.246 13.783 6.816 783 HE ARG 100 HE ARG 100 -6.260 14.197 8.810 784 HH11 ARG 100 HH11 ARG 100 -3.003 15.509 8.986 785 HH12 ARG 100 HH12 ARG 100 -2.987 15.797 10.682 786 HH21 ARG 100 HH21 ARG 100 -6.391 14.945 11.088 787 HH22 ARG 100 HH22 ARG 100 -4.912 15.247 11.947 788 H LYS 101 HN LYS 101 1.168 11.702 7.536 789 HA LYS 101 HA LYS 101 1.665 11.144 4.633 790 HB2 LYS 101 HB2 LYS 101 2.824 13.292 6.395 791 HB3 LYS 101 HB3 LYS 101 3.843 12.562 5.196 792 HG2 LYS 101 HG2 LYS 101 2.312 13.097 3.373 793 HG3 LYS 101 HG3 LYS 101 1.182 13.857 4.524 794 HD2 LYS 101 HD2 LYS 101 2.833 15.489 5.146 795 HD3 LYS 101 HD3 LYS 101 4.102 14.696 4.258 796 HE2 LYS 101 HE2 LYS 101 3.459 16.701 3.115 797 HE3 LYS 101 HE3 LYS 101 3.051 15.303 2.118 798 HZ1 LYS 101 HZ1 LYS 101 1.290 16.921 2.110 799 HZ2 LYS 101 HZ2 LYS 101 1.128 16.856 3.762 800 HZ3 LYS 101 HZ3 LYS 101 0.756 15.561 2.787 801 H THR 102 HN THR 102 2.971 10.896 8.006 802 HA THR 102 HA THR 102 4.909 8.947 7.395 803 HB THR 102 HB THR 102 4.450 8.219 9.831 804 HG1 THR 102 HG1 THR 102 2.926 10.599 9.912 805 HG21 THR 102 HG21 THR 102 5.448 10.257 10.768 806 HG22 THR 102 HG22 THR 102 5.008 11.177 9.309 807 HG23 THR 102 HG23 THR 102 6.200 9.864 9.220 808 H ARG 103 HN ARG 103 1.404 8.491 8.203 809 HA ARG 103 HA ARG 103 1.464 5.640 7.918 810 HB2 ARG 103 HB2 ARG 103 -0.709 7.751 7.721 811 HB3 ARG 103 HB3 ARG 103 -1.064 6.052 7.433 812 HG2 ARG 103 HG2 ARG 103 -0.451 5.396 9.612 813 HG3 ARG 103 HG3 ARG 103 0.259 6.983 10.002 814 HD2 ARG 103 HD2 ARG 103 -1.874 8.057 9.987 815 HD3 ARG 103 HD3 ARG 103 -2.646 6.662 9.216 816 HE ARG 103 HE ARG 103 -1.868 5.477 11.443 817 HH11 ARG 103 HH11 ARG 103 -3.742 8.423 11.020 818 HH12 ARG 103 HH12 ARG 103 -4.280 8.517 12.668 819 HH21 ARG 103 HH21 ARG 103 -2.857 5.331 13.401 820 HH22 ARG 103 HH22 ARG 103 -4.032 6.489 13.929 821 H ARG 104 HN ARG 104 1.370 8.184 5.432 822 HA ARG 104 HA ARG 104 0.373 6.420 3.349 823 HB2 ARG 104 HB2 ARG 104 1.242 9.221 3.497 824 HB3 ARG 104 HB3 ARG 104 2.007 8.386 2.161 825 HG2 ARG 104 HG2 ARG 104 0.168 9.369 1.248 826 HG3 ARG 104 HG3 ARG 104 -0.237 7.657 1.331 827 HD2 ARG 104 HD2 ARG 104 -1.917 7.992 2.900 828 HD3 ARG 104 HD3 ARG 104 -1.140 9.406 3.607 829 HE ARG 104 HE ARG 104 -2.948 9.324 1.288 830 HH11 ARG 104 HH11 ARG 104 -0.910 11.406 3.330 831 HH12 ARG 104 HH12 ARG 104 -1.218 12.848 2.426 832 HH21 ARG 104 HH21 ARG 104 -3.328 11.276 0.121 833 HH22 ARG 104 HH22 ARG 104 -2.819 12.786 0.741 834 H ALA 105 HN ALA 105 3.671 7.622 4.188 835 HA ALA 105 HA ALA 105 5.098 6.283 2.327 836 HB1 ALA 105 HB1 ALA 105 7.040 6.418 3.853 837 HB2 ALA 105 HB2 ALA 105 6.064 7.902 3.913 838 HB3 ALA 105 HB3 ALA 105 5.944 6.704 5.220 839 H THR 106 HN THR 106 4.087 4.802 5.428 840 HA THR 106 HA THR 106 5.336 2.326 5.318 841 HB THR 106 HB THR 106 2.458 2.978 6.113 842 HG1 THR 106 HG1 THR 106 4.940 3.397 7.381 843 HG21 THR 106 HG21 THR 106 4.312 0.833 7.200 844 HG22 THR 106 HG22 THR 106 2.885 0.542 6.178 845 HG23 THR 106 HG23 THR 106 2.688 1.223 7.799 846 H MET 107 HN MET 107 2.251 3.315 3.708 847 HA MET 107 HA MET 107 1.777 0.629 2.729 848 HB2 MET 107 HB2 MET 107 -0.358 1.361 2.473 849 HB3 MET 107 HB3 MET 107 0.159 2.487 3.684 850 HG2 MET 107 HG2 MET 107 0.751 4.018 1.572 851 HG3 MET 107 HG3 MET 107 -0.393 2.994 0.779 852 HE1 MET 107 HE1 MET 107 -3.057 2.901 1.554 853 HE2 MET 107 HE2 MET 107 -2.569 2.501 3.194 854 HE3 MET 107 HE3 MET 107 -3.701 3.856 2.919 855 H THR 108 HN THR 108 2.990 3.763 1.494 856 HA THR 108 HA THR 108 3.056 3.173 -1.240 857 HB THR 108 HB THR 108 5.147 4.763 0.305 858 HG1 THR 108 HG1 THR 108 2.539 5.583 -0.437 859 HG21 THR 108 HG21 THR 108 3.879 5.107 -2.432 860 HG22 THR 108 HG22 THR 108 5.549 4.610 -2.096 861 HG23 THR 108 HG23 THR 108 5.006 6.238 -1.664 862 H ASN 109 HN ASN 109 5.598 2.544 1.278 863 HA ASN 109 HA ASN 109 7.608 1.685 -0.467 864 HB2 ASN 109 HB2 ASN 109 7.728 2.083 2.056 865 HB3 ASN 109 HB3 ASN 109 7.017 0.518 2.309 866 HD21 ASN 109 HD21 ASN 109 8.646 -1.038 0.241 867 HD22 ASN 109 HD22 ASN 109 10.222 -1.069 0.928 868 H TRP 110 HN TRP 110 4.884 -0.166 0.962 869 HA TRP 110 HA TRP 110 5.709 -2.771 0.008 870 HB2 TRP 110 HB2 TRP 110 4.292 -2.552 1.956 871 HB3 TRP 110 HB3 TRP 110 3.102 -1.618 1.059 872 HD1 TRP 110 HD1 TRP 110 4.200 -5.201 1.679 873 HE1 TRP 110 HE1 TRP 110 2.502 -6.832 0.600 874 HE3 TRP 110 HE3 TRP 110 1.300 -1.815 -0.787 875 HZ2 TRP 110 HZ2 TRP 110 0.236 -6.664 -1.202 876 HZ3 TRP 110 HZ3 TRP 110 -0.571 -2.568 -2.242 877 HH2 TRP 110 HH2 TRP 110 -1.056 -5.006 -2.474 878 H LEU 111 HN LEU 111 4.095 -0.042 -1.575 879 HA LEU 111 HA LEU 111 2.387 -1.746 -3.308 880 HB2 LEU 111 HB2 LEU 111 2.878 1.198 -2.888 881 HB3 LEU 111 HB3 LEU 111 2.490 0.698 -4.532 882 HG LEU 111 HG LEU 111 0.719 -0.214 -2.287 883 HD11 LEU 111 HD11 LEU 111 0.645 2.504 -3.666 884 HD12 LEU 111 HD12 LEU 111 0.878 2.188 -1.927 885 HD13 LEU 111 HD13 LEU 111 -0.677 1.817 -2.698 886 HD21 LEU 111 HD21 LEU 111 -0.964 -0.278 -4.027 887 HD22 LEU 111 HD22 LEU 111 0.481 -1.051 -4.691 888 HD23 LEU 111 HD23 LEU 111 0.082 0.599 -5.161 889 H LEU 112 HN LEU 112 5.409 -0.033 -3.281 890 HA LEU 112 HA LEU 112 5.989 -0.472 -6.092 891 HB2 LEU 112 HB2 LEU 112 7.089 1.432 -5.756 892 HB3 LEU 112 HB3 LEU 112 6.357 1.446 -4.248 893 HG LEU 112 HG LEU 112 8.578 0.075 -3.499 894 HD11 LEU 112 HD11 LEU 112 9.806 0.025 -5.502 895 HD12 LEU 112 HD12 LEU 112 10.373 1.579 -4.830 896 HD13 LEU 112 HD13 LEU 112 9.162 1.538 -6.099 897 HD21 LEU 112 HD21 LEU 112 8.125 3.047 -3.834 898 HD22 LEU 112 HD22 LEU 112 9.315 2.287 -2.763 899 HD23 LEU 112 HD23 LEU 112 7.548 2.005 -2.509 900 H ALA 113 HN ALA 113 6.974 -1.932 -2.990 901 HA ALA 113 HA ALA 113 8.918 -3.808 -4.131 902 HB1 ALA 113 HB1 ALA 113 7.018 -4.096 -1.740 903 HB2 ALA 113 HB2 ALA 113 8.419 -5.114 -2.114 904 HB3 ALA 113 HB3 ALA 113 8.656 -3.414 -1.664 905 H TYR 114 HN TYR 114 5.254 -3.870 -3.801 906 HA TYR 114 HA TYR 114 5.003 -6.548 -4.432 907 HB2 TYR 114 HB2 TYR 114 3.096 -5.238 -3.710 908 HB3 TYR 114 HB3 TYR 114 3.183 -4.242 -5.157 909 HD1 TYR 114 HD2 TYR 114 2.987 -7.931 -4.357 910 HD2 TYR 114 HD1 TYR 114 1.610 -4.676 -6.814 911 HE1 TYR 114 HE2 TYR 114 1.419 -9.464 -5.469 912 HE2 TYR 114 HE1 TYR 114 -0.111 -6.165 -7.837 913 HH TYR 114 HH TYR 114 0.035 -9.644 -7.469 914 H ARG 115 HN ARG 115 5.273 -3.828 -6.819 915 HA ARG 115 HA ARG 115 4.807 -5.531 -9.047 916 HB2 ARG 115 HB2 ARG 115 5.987 -3.784 -10.393 917 HB3 ARG 115 HB3 ARG 115 4.612 -3.251 -9.438 918 HG2 ARG 115 HG2 ARG 115 6.132 -2.277 -7.760 919 HG3 ARG 115 HG3 ARG 115 7.535 -2.824 -8.705 920 HD2 ARG 115 HD2 ARG 115 5.944 -1.351 -10.525 921 HD3 ARG 115 HD3 ARG 115 5.783 -0.475 -9.014 922 HE ARG 115 HE ARG 115 7.960 0.206 -9.120 923 HH11 ARG 115 HH11 ARG 115 7.412 -2.133 -11.751 924 HH12 ARG 115 HH12 ARG 115 9.004 -1.974 -12.386 925 HH21 ARG 115 HH21 ARG 115 9.933 0.639 -10.199 926 HH22 ARG 115 HH22 ARG 115 10.472 -0.332 -11.513 927 H ARG 116 HN ARG 116 7.760 -4.951 -7.154 928 HA ARG 116 HA ARG 116 9.701 -5.976 -8.989 929 HB2 ARG 116 HB2 ARG 116 9.744 -6.101 -5.956 930 HB3 ARG 116 HB3 ARG 116 11.099 -6.231 -7.018 931 HG2 ARG 116 HG2 ARG 116 9.420 -3.745 -6.854 932 HG3 ARG 116 HG3 ARG 116 10.857 -4.008 -5.889 933 HD2 ARG 116 HD2 ARG 116 11.214 -4.414 -8.829 934 HD3 ARG 116 HD3 ARG 116 10.752 -2.797 -8.351 935 HE ARG 116 HE ARG 116 12.746 -3.213 -6.618 936 HH11 ARG 116 HH11 ARG 116 12.568 -3.451 -10.183 937 HH12 ARG 116 HH12 ARG 116 14.277 -3.440 -10.379 938 HH21 ARG 116 HH21 ARG 116 14.943 -2.620 -7.018 939 HH22 ARG 116 HH22 ARG 116 15.623 -2.853 -8.538 940 H SER 117 HN SER 117 7.445 -7.524 -6.769 941 HA SER 117 HA SER 117 8.515 -10.157 -7.009 942 HB2 SER 117 HB2 SER 117 6.495 -8.935 -5.462 943 HB3 SER 117 HB3 SER 117 5.626 -10.079 -6.453 944 HG SER 117 HG SER 117 6.872 -11.732 -5.710 945 H GLN 118 HN GLN 118 6.265 -8.313 -9.098 946 HA GLN 118 HA GLN 118 5.370 -10.713 -10.572 947 HB2 GLN 118 HB2 GLN 118 5.170 -7.730 -11.178 948 HB3 GLN 118 HB3 GLN 118 4.505 -9.011 -12.193 949 HG2 GLN 118 HG2 GLN 118 3.058 -9.768 -10.366 950 HG3 GLN 118 HG3 GLN 118 3.683 -8.486 -9.307 951 HE21 GLN 118 HE21 GLN 118 0.905 -8.784 -9.991 952 HE22 GLN 118 HE22 GLN 118 0.475 -7.295 -10.876 953 H GLN 119 HN GLN 119 8.039 -8.521 -10.526 954 HA GLN 119 HA GLN 119 8.964 -9.145 -13.255 955 HB2 GLN 119 HB2 GLN 119 9.871 -7.221 -11.092 956 HB3 GLN 119 HB3 GLN 119 10.776 -7.468 -12.587 957 HG2 GLN 119 HG2 GLN 119 9.098 -6.575 -13.958 958 HG3 GLN 119 HG3 GLN 119 7.826 -6.769 -12.748 959 HE21 GLN 119 HE21 GLN 119 8.269 -5.566 -10.656 960 HE22 GLN 119 HE22 GLN 119 8.875 -3.905 -10.766 961 H ASP 120 HN ASP 120 8.712 -11.029 -10.903 962 HA ASP 120 HA ASP 120 11.234 -11.947 -9.997 963 HB2 ASP 120 HB2 ASP 120 9.082 -12.619 -9.039 964 HB3 ASP 120 HB3 ASP 120 8.602 -13.367 -10.569 Start of MODEL 3 1 H1 MET 1 HN MET 1 -4.429 -12.456 -8.235 2 HA MET 1 HA MET 1 -5.246 -10.573 -9.380 3 HB2 MET 1 HB2 MET 1 -6.429 -9.618 -7.462 4 HB3 MET 1 HB3 MET 1 -4.894 -9.129 -6.723 5 HG2 MET 1 HG2 MET 1 -6.050 -7.256 -7.856 6 HG3 MET 1 HG3 MET 1 -4.460 -7.571 -8.507 7 HE1 MET 1 HE1 MET 1 -7.174 -5.952 -9.638 8 HE2 MET 1 HE2 MET 1 -8.093 -6.846 -10.862 9 HE3 MET 1 HE3 MET 1 -8.241 -7.284 -9.147 10 H GLY 2 HN GLY 2 -3.853 -9.316 -10.681 11 HA2 GLY 2 HA2 GLY 2 -1.135 -8.676 -9.754 12 HA3 GLY 2 HA1 GLY 2 -1.340 -9.748 -11.141 13 H ILE 3 HN ILE 3 -1.890 -6.546 -9.891 14 HA ILE 3 HA ILE 3 -2.807 -5.447 -12.483 15 HB ILE 3 HB ILE 3 -2.287 -4.032 -9.833 16 HG12 ILE 3 HG12 ILE 3 -4.853 -5.270 -10.934 17 HG13 ILE 3 HG13 ILE 3 -3.996 -5.715 -9.455 18 HG21 ILE 3 HG21 ILE 3 -2.410 -2.518 -11.819 19 HG22 ILE 3 HG22 ILE 3 -4.037 -3.146 -12.168 20 HG23 ILE 3 HG23 ILE 3 -3.681 -2.229 -10.687 21 HD11 ILE 3 HD11 ILE 3 -5.589 -3.180 -9.971 22 HD12 ILE 3 HD12 ILE 3 -5.905 -4.449 -8.800 23 HD13 ILE 3 HD13 ILE 3 -4.512 -3.378 -8.569 24 H THR 4 HN THR 4 -1.526 -3.561 -13.378 25 HA THR 4 HA THR 4 1.394 -3.969 -13.298 26 HB THR 4 HB THR 4 -0.384 -1.923 -14.710 27 HG1 THR 4 HG1 THR 4 -0.007 -3.244 -16.540 28 HG21 THR 4 HG21 THR 4 1.458 -1.498 -16.202 29 HG22 THR 4 HG22 THR 4 2.465 -2.720 -15.394 30 HG23 THR 4 HG23 THR 4 1.993 -1.218 -14.562 31 H ILE 5 HN ILE 5 2.787 -2.432 -12.153 32 HA ILE 5 HA ILE 5 1.405 -0.085 -10.969 33 HB ILE 5 HB ILE 5 3.925 -1.488 -10.124 34 HG12 ILE 5 HG12 ILE 5 1.979 -2.859 -9.570 35 HG13 ILE 5 HG13 ILE 5 2.787 -2.231 -8.168 36 HG21 ILE 5 HG21 ILE 5 4.218 0.823 -9.515 37 HG22 ILE 5 HG22 ILE 5 2.552 0.964 -8.948 38 HG23 ILE 5 HG23 ILE 5 3.720 -0.019 -8.046 39 HD11 ILE 5 HD11 ILE 5 0.993 -0.466 -7.949 40 HD12 ILE 5 HD12 ILE 5 0.164 -1.189 -9.340 41 HD13 ILE 5 HD13 ILE 5 0.368 -2.115 -7.844 42 H THR 6 HN THR 6 2.273 1.943 -11.242 43 HA THR 6 HA THR 6 4.643 2.268 -12.982 44 HB THR 6 HB THR 6 3.411 4.562 -13.387 45 HG1 THR 6 HG1 THR 6 1.160 4.364 -13.304 46 HG21 THR 6 HG21 THR 6 2.469 1.911 -14.575 47 HG22 THR 6 HG22 THR 6 3.875 2.891 -15.079 48 HG23 THR 6 HG23 THR 6 2.221 3.519 -15.308 49 H ASP 7 HN ASP 7 6.282 3.448 -12.046 50 HA ASP 7 HA ASP 7 6.104 3.891 -9.189 51 HB2 ASP 7 HB2 ASP 7 8.195 4.767 -11.178 52 HB3 ASP 7 HB3 ASP 7 8.332 4.977 -9.433 53 H GLU 8 HN GLU 8 5.321 5.893 -11.992 54 HA GLU 8 HA GLU 8 5.414 8.441 -10.758 55 HB2 GLU 8 HB2 GLU 8 4.047 9.218 -12.534 56 HB3 GLU 8 HB3 GLU 8 5.173 8.002 -13.156 57 HG2 GLU 8 HG2 GLU 8 3.516 7.046 -14.179 58 HG3 GLU 8 HG3 GLU 8 2.973 6.480 -12.626 59 H LEU 9 HN LEU 9 2.968 5.901 -10.686 60 HA LEU 9 HA LEU 9 0.975 7.459 -9.277 61 HB2 LEU 9 HB2 LEU 9 1.206 4.844 -10.563 62 HB3 LEU 9 HB3 LEU 9 0.560 4.613 -8.959 63 HG LEU 9 HG LEU 9 -0.581 6.480 -11.081 64 HD11 LEU 9 HD11 LEU 9 -1.591 3.828 -9.959 65 HD12 LEU 9 HD12 LEU 9 -0.837 4.087 -11.569 66 HD13 LEU 9 HD13 LEU 9 -2.389 4.819 -11.185 67 HD21 LEU 9 HD21 LEU 9 -1.183 7.491 -9.013 68 HD22 LEU 9 HD22 LEU 9 -1.411 5.944 -8.207 69 HD23 LEU 9 HD23 LEU 9 -2.577 6.507 -9.435 70 H LEU 10 HN LEU 10 3.801 5.741 -8.317 71 HA LEU 10 HA LEU 10 2.937 5.374 -5.529 72 HB2 LEU 10 HB2 LEU 10 5.739 5.177 -6.724 73 HB3 LEU 10 HB3 LEU 10 5.208 4.595 -5.152 74 HG LEU 10 HG LEU 10 4.373 3.532 -7.882 75 HD11 LEU 10 HD11 LEU 10 5.456 1.486 -7.153 76 HD12 LEU 10 HD12 LEU 10 5.818 2.213 -5.567 77 HD13 LEU 10 HD13 LEU 10 6.591 2.835 -7.046 78 HD21 LEU 10 HD21 LEU 10 3.083 1.811 -6.637 79 HD22 LEU 10 HD22 LEU 10 2.395 3.407 -6.487 80 HD23 LEU 10 HD23 LEU 10 3.351 2.749 -5.138 81 H TRP 11 HN TRP 11 5.078 7.568 -7.393 82 HA TRP 11 HA TRP 11 5.803 9.232 -5.200 83 HB2 TRP 11 HB2 TRP 11 5.783 9.515 -8.197 84 HB3 TRP 11 HB3 TRP 11 5.960 10.952 -7.206 85 HD1 TRP 11 HD1 TRP 11 7.983 7.988 -8.391 86 HE1 TRP 11 HE1 TRP 11 10.385 8.301 -7.645 87 HE3 TRP 11 HE3 TRP 11 7.275 11.750 -4.989 88 HZ2 TRP 11 HZ2 TRP 11 11.766 9.664 -5.409 89 HZ3 TRP 11 HZ3 TRP 11 9.164 12.450 -3.497 90 HH2 TRP 11 HH2 TRP 11 11.351 11.372 -3.671 91 H ALA 12 HN ALA 12 2.808 9.129 -7.088 92 HA ALA 12 HA ALA 12 1.820 11.682 -6.562 93 HB1 ALA 12 HB1 ALA 12 0.764 10.208 -8.144 94 HB2 ALA 12 HB2 ALA 12 0.406 9.003 -6.896 95 HB3 ALA 12 HB3 ALA 12 -0.429 10.572 -6.896 96 H ILE 13 HN ILE 13 1.918 8.905 -4.339 97 HA ILE 13 HA ILE 13 0.164 10.056 -2.335 98 HB ILE 13 HB ILE 13 2.296 7.854 -2.224 99 HG12 ILE 13 HG12 ILE 13 0.045 6.502 -1.812 100 HG13 ILE 13 HG13 ILE 13 -0.724 7.862 -2.596 101 HG21 ILE 13 HG21 ILE 13 0.234 8.576 -0.115 102 HG22 ILE 13 HG22 ILE 13 1.338 7.171 -0.102 103 HG23 ILE 13 HG23 ILE 13 1.993 8.797 0.033 104 HD11 ILE 13 HD11 ILE 13 0.605 7.437 -4.636 105 HD12 ILE 13 HD12 ILE 13 1.542 6.191 -3.789 106 HD13 ILE 13 HD13 ILE 13 -0.190 5.964 -4.095 107 H LEU 14 HN LEU 14 3.734 9.824 -2.838 108 HA LEU 14 HA LEU 14 4.618 10.984 -0.498 109 HB2 LEU 14 HB2 LEU 14 5.697 10.436 -3.261 110 HB3 LEU 14 HB3 LEU 14 6.618 11.454 -2.173 111 HG LEU 14 HG LEU 14 6.726 9.815 -0.498 112 HD11 LEU 14 HD11 LEU 14 5.083 7.978 -2.236 113 HD12 LEU 14 HD12 LEU 14 4.589 8.684 -0.689 114 HD13 LEU 14 HD13 LEU 14 5.906 7.531 -0.714 115 HD21 LEU 14 HD21 LEU 14 7.347 8.600 -3.229 116 HD22 LEU 14 HD22 LEU 14 8.130 8.145 -1.711 117 HD23 LEU 14 HD23 LEU 14 8.368 9.769 -2.392 118 H LYS 15 HN LYS 15 4.082 12.534 -3.686 119 HA LYS 15 HA LYS 15 5.076 15.081 -2.847 120 HB2 LYS 15 HB2 LYS 15 3.081 14.391 -5.067 121 HB3 LYS 15 HB3 LYS 15 3.889 15.948 -4.873 122 HG2 LYS 15 HG2 LYS 15 5.287 13.285 -5.397 123 HG3 LYS 15 HG3 LYS 15 4.895 14.503 -6.588 124 HD2 LYS 15 HD2 LYS 15 6.361 16.136 -5.228 125 HD3 LYS 15 HD3 LYS 15 6.864 14.722 -4.284 126 HE2 LYS 15 HE2 LYS 15 8.518 14.987 -5.980 127 HE3 LYS 15 HE3 LYS 15 7.540 13.602 -6.464 128 HZ1 LYS 15 HZ1 LYS 15 6.332 15.129 -7.981 129 HZ2 LYS 15 HZ2 LYS 15 7.922 14.986 -8.317 130 HZ3 LYS 15 HZ3 LYS 15 7.381 16.338 -7.559 131 H ASP 16 HN ASP 16 1.640 14.734 -3.757 132 HA ASP 16 HA ASP 16 0.648 15.443 -1.156 133 HB2 ASP 16 HB2 ASP 16 1.798 17.619 -2.393 134 HB3 ASP 16 HB3 ASP 16 0.200 17.718 -3.087 135 H GLU 17 HN GLU 17 0.078 13.809 -3.969 136 HA GLU 17 HA GLU 17 -2.221 15.289 -4.935 137 HB2 GLU 17 HB2 GLU 17 -0.682 14.998 -6.572 138 HB3 GLU 17 HB3 GLU 17 -0.077 13.446 -5.970 139 HG2 GLU 17 HG2 GLU 17 -1.934 12.236 -6.836 140 HG3 GLU 17 HG3 GLU 17 -2.817 13.726 -7.227 141 H LEU 18 HN LEU 18 -1.335 11.845 -4.252 142 HA LEU 18 HA LEU 18 -4.167 11.139 -4.361 143 HB2 LEU 18 HB2 LEU 18 -1.734 9.715 -3.503 144 HB3 LEU 18 HB3 LEU 18 -3.197 9.159 -2.741 145 HG LEU 18 HG LEU 18 -3.538 9.531 -5.623 146 HD11 LEU 18 HD11 LEU 18 -2.453 7.604 -6.328 147 HD12 LEU 18 HD12 LEU 18 -1.983 7.227 -4.642 148 HD13 LEU 18 HD13 LEU 18 -1.313 8.665 -5.493 149 HD21 LEU 18 HD21 LEU 18 -4.327 6.981 -4.391 150 HD22 LEU 18 HD22 LEU 18 -5.134 8.011 -5.564 151 HD23 LEU 18 HD23 LEU 18 -5.142 8.475 -3.855 152 H SER 19 HN SER 19 -5.337 10.563 -2.783 153 HA SER 19 HA SER 19 -5.004 12.518 -0.601 154 HB2 SER 19 HB2 SER 19 -7.058 12.462 -2.186 155 HB3 SER 19 HB3 SER 19 -7.612 11.089 -1.200 156 HG SER 19 HG SER 19 -8.483 13.087 -0.627 157 H ASP 20 HN ASP 20 -6.453 11.732 1.460 158 HA ASP 20 HA ASP 20 -4.752 9.727 2.682 159 HB2 ASP 20 HB2 ASP 20 -6.485 9.979 4.616 160 HB3 ASP 20 HB3 ASP 20 -5.363 11.274 4.229 161 H ALA 21 HN ALA 21 -8.334 9.657 2.168 162 HA ALA 21 HA ALA 21 -8.518 6.809 2.439 163 HB1 ALA 21 HB1 ALA 21 -10.281 8.762 0.888 164 HB2 ALA 21 HB2 ALA 21 -10.728 7.127 1.321 165 HB3 ALA 21 HB3 ALA 21 -10.472 8.328 2.606 166 H GLU 22 HN GLU 22 -7.931 8.889 -0.379 167 HA GLU 22 HA GLU 22 -8.470 6.856 -2.324 168 HB2 GLU 22 HB2 GLU 22 -6.900 9.453 -2.586 169 HB3 GLU 22 HB3 GLU 22 -7.433 8.431 -3.918 170 HG2 GLU 22 HG2 GLU 22 -9.805 8.695 -3.028 171 HG3 GLU 22 HG3 GLU 22 -9.197 9.967 -1.985 172 H ALA 23 HN ALA 23 -5.360 7.962 -0.814 173 HA ALA 23 HA ALA 23 -3.665 6.546 -2.541 174 HB1 ALA 23 HB1 ALA 23 -2.062 6.507 -0.586 175 HB2 ALA 23 HB2 ALA 23 -2.774 8.109 -0.854 176 HB3 ALA 23 HB3 ALA 23 -3.373 7.078 0.466 177 H ASN 24 HN ASN 24 -5.670 5.494 0.178 178 HA ASN 24 HA ASN 24 -4.515 2.905 0.671 179 HB2 ASN 24 HB2 ASN 24 -7.356 3.757 1.309 180 HB3 ASN 24 HB3 ASN 24 -6.464 2.419 1.979 181 HD21 ASN 24 HD21 ASN 24 -7.722 4.248 3.757 182 HD22 ASN 24 HD22 ASN 24 -6.477 5.254 4.445 183 H ALA 25 HN ALA 25 -7.119 4.100 -1.439 184 HA ALA 25 HA ALA 25 -8.352 1.646 -2.090 185 HB1 ALA 25 HB1 ALA 25 -7.890 4.096 -3.863 186 HB2 ALA 25 HB2 ALA 25 -8.984 2.783 -4.249 187 HB3 ALA 25 HB3 ALA 25 -9.293 3.815 -2.812 188 H LEU 26 HN LEU 26 -5.525 3.220 -3.711 189 HA LEU 26 HA LEU 26 -5.323 1.291 -5.777 190 HB2 LEU 26 HB2 LEU 26 -3.122 3.001 -4.580 191 HB3 LEU 26 HB3 LEU 26 -3.155 2.229 -6.159 192 HG LEU 26 HG LEU 26 -4.912 4.527 -5.204 193 HD11 LEU 26 HD11 LEU 26 -2.805 4.316 -7.389 194 HD12 LEU 26 HD12 LEU 26 -2.601 5.106 -5.793 195 HD13 LEU 26 HD13 LEU 26 -3.740 5.761 -6.971 196 HD21 LEU 26 HD21 LEU 26 -4.992 3.149 -7.927 197 HD22 LEU 26 HD22 LEU 26 -5.836 4.649 -7.485 198 HD23 LEU 26 HD23 LEU 26 -6.294 3.135 -6.716 199 H VAL 27 HN VAL 27 -4.288 1.102 -2.476 200 HA VAL 27 HA VAL 27 -2.490 -1.195 -2.854 201 HB VAL 27 HB VAL 27 -3.806 -0.015 -0.368 202 HG11 VAL 27 HG11 VAL 27 -3.277 -2.307 0.135 203 HG12 VAL 27 HG12 VAL 27 -1.661 -2.142 -0.563 204 HG13 VAL 27 HG13 VAL 27 -2.086 -1.258 0.912 205 HG21 VAL 27 HG21 VAL 27 -0.956 0.251 -1.397 206 HG22 VAL 27 HG22 VAL 27 -2.195 1.533 -1.459 207 HG23 VAL 27 HG23 VAL 27 -1.645 0.943 0.093 208 H TRP 28 HN TRP 28 -5.864 -0.611 -1.670 209 HA TRP 28 HA TRP 28 -6.557 -3.250 -1.110 210 HB2 TRP 28 HB2 TRP 28 -8.373 -1.093 -2.245 211 HB3 TRP 28 HB3 TRP 28 -8.862 -2.474 -1.300 212 HD1 TRP 28 HD1 TRP 28 -6.294 -1.748 0.872 213 HE1 TRP 28 HE1 TRP 28 -6.901 -0.056 2.708 214 HE3 TRP 28 HE3 TRP 28 -10.539 0.183 -1.193 215 HZ2 TRP 28 HZ2 TRP 28 -9.011 1.796 3.272 216 HZ3 TRP 28 HZ3 TRP 28 -11.970 1.714 0.143 217 HH2 TRP 28 HH2 TRP 28 -11.255 2.444 2.382 218 H GLN 29 HN GLN 29 -6.919 -1.462 -4.229 219 HA GLN 29 HA GLN 29 -8.062 -3.670 -5.644 220 HB2 GLN 29 HB2 GLN 29 -7.208 -2.547 -7.733 221 HB3 GLN 29 HB3 GLN 29 -8.239 -1.558 -6.696 222 HG2 GLN 29 HG2 GLN 29 -6.345 -0.359 -5.954 223 HG3 GLN 29 HG3 GLN 29 -5.201 -1.433 -6.732 224 HE21 GLN 29 HE21 GLN 29 -7.937 -0.742 -8.840 225 HE22 GLN 29 HE22 GLN 29 -7.138 0.574 -9.657 226 H ALA 30 HN ALA 30 -4.611 -2.843 -5.145 227 HA ALA 30 HA ALA 30 -3.580 -4.693 -7.034 228 HB1 ALA 30 HB1 ALA 30 -1.435 -4.343 -5.807 229 HB2 ALA 30 HB2 ALA 30 -2.268 -2.817 -6.202 230 HB3 ALA 30 HB3 ALA 30 -2.310 -3.472 -4.545 231 H LEU 31 HN LEU 31 -4.149 -5.092 -3.496 232 HA LEU 31 HA LEU 31 -3.188 -7.801 -3.367 233 HB2 LEU 31 HB2 LEU 31 -5.196 -6.261 -1.693 234 HB3 LEU 31 HB3 LEU 31 -4.981 -7.975 -1.478 235 HG LEU 31 HG LEU 31 -3.726 -7.032 0.223 236 HD11 LEU 31 HD11 LEU 31 -2.551 -8.851 -0.808 237 HD12 LEU 31 HD12 LEU 31 -1.450 -7.659 -0.112 238 HD13 LEU 31 HD13 LEU 31 -1.707 -7.737 -1.866 239 HD21 LEU 31 HD21 LEU 31 -2.625 -5.072 -1.734 240 HD22 LEU 31 HD22 LEU 31 -2.053 -5.267 -0.056 241 HD23 LEU 31 HD23 LEU 31 -3.728 -4.778 -0.381 242 H GLY 32 HN GLY 32 -6.257 -6.359 -4.335 243 HA2 GLY 32 HA2 GLY 32 -7.318 -7.525 -6.225 244 HA3 GLY 32 HA1 GLY 32 -7.199 -9.017 -5.289 245 H TYR 33 HN TYR 33 -8.041 -6.260 -3.323 246 HA TYR 33 HA TYR 33 -10.200 -7.803 -2.463 247 HB2 TYR 33 HB2 TYR 33 -9.280 -5.017 -1.803 248 HB3 TYR 33 HB3 TYR 33 -10.793 -5.661 -1.151 249 HD1 TYR 33 HD1 TYR 33 -10.842 -7.784 0.122 250 HD2 TYR 33 HD2 TYR 33 -7.168 -5.807 -0.891 251 HE1 TYR 33 HE1 TYR 33 -9.730 -8.944 2.001 252 HE2 TYR 33 HE2 TYR 33 -5.982 -7.056 0.909 253 HH TYR 33 HH TYR 33 -7.711 -8.462 3.427 254 H VAL 34 HN VAL 34 -10.405 -4.796 -4.390 255 HA VAL 34 HA VAL 34 -12.119 -3.770 -5.421 256 HB VAL 34 HB VAL 34 -12.692 -6.659 -6.067 257 HG11 VAL 34 HG11 VAL 34 -13.587 -5.694 -8.227 258 HG12 VAL 34 HG12 VAL 34 -14.555 -5.235 -6.830 259 HG13 VAL 34 HG13 VAL 34 -13.403 -4.072 -7.546 260 HG21 VAL 34 HG21 VAL 34 -10.384 -6.140 -6.531 261 HG22 VAL 34 HG22 VAL 34 -11.263 -6.231 -8.054 262 HG23 VAL 34 HG23 VAL 34 -10.832 -4.643 -7.376 263 H TRP 35 HN TRP 35 -13.788 -2.648 -4.630 264 HA TRP 35 HA TRP 35 -15.791 -3.825 -2.900 265 HB2 TRP 35 HB2 TRP 35 -15.288 -1.501 -2.749 266 HB3 TRP 35 HB3 TRP 35 -15.728 -1.232 -4.447 267 HD1 TRP 35 HD1 TRP 35 -18.230 -0.909 -4.975 268 HE1 TRP 35 HE1 TRP 35 -20.372 -0.602 -3.558 269 HE3 TRP 35 HE3 TRP 35 -16.486 -2.671 -0.527 270 HZ2 TRP 35 HZ2 TRP 35 -21.171 -1.019 -0.834 271 HZ3 TRP 35 HZ3 TRP 35 -17.966 -2.740 1.478 272 HH2 TRP 35 HH2 TRP 35 -20.296 -1.880 1.318 273 H ASP 36 HN ASP 36 -17.132 -5.235 -3.532 274 HA ASP 36 HA ASP 36 -18.232 -5.436 -6.292 275 HB2 ASP 36 HB2 ASP 36 -17.435 -7.409 -4.525 276 HB3 ASP 36 HB3 ASP 36 -19.098 -7.346 -4.146 277 H GLU 37 HN GLU 37 -19.536 -3.601 -6.293 278 HA GLU 37 HA GLU 37 -21.090 -2.675 -4.113 279 HB2 GLU 37 HB2 GLU 37 -20.462 -1.243 -5.905 280 HB3 GLU 37 HB3 GLU 37 -21.213 -2.253 -7.118 281 HG2 GLU 37 HG2 GLU 37 -23.423 -1.655 -6.487 282 HG3 GLU 37 HG3 GLU 37 -22.872 -0.932 -4.965 283 H ALA 38 HN ALA 38 -21.782 -5.052 -6.539 284 HA ALA 38 HA ALA 38 -24.638 -5.251 -6.188 285 HB1 ALA 38 HB1 ALA 38 -24.338 -7.472 -7.286 286 HB2 ALA 38 HB2 ALA 38 -23.501 -6.182 -8.158 287 HB3 ALA 38 HB3 ALA 38 -22.579 -7.302 -7.129 288 H GLN 39 HN GLN 39 -21.877 -6.425 -4.344 289 HA GLN 39 HA GLN 39 -23.684 -8.056 -2.644 290 HB2 GLN 39 HB2 GLN 39 -20.715 -8.347 -3.138 291 HB3 GLN 39 HB3 GLN 39 -21.648 -9.285 -1.971 292 HG2 GLN 39 HG2 GLN 39 -23.095 -10.182 -3.655 293 HG3 GLN 39 HG3 GLN 39 -22.395 -9.131 -4.875 294 HE21 GLN 39 HE21 GLN 39 -20.390 -9.620 -5.884 295 HE22 GLN 39 HE22 GLN 39 -19.741 -11.244 -5.706 296 H SER 40 HN SER 40 -22.067 -5.087 -2.786 297 HA SER 40 HA SER 40 -21.458 -3.531 -1.459 298 HB2 SER 40 HB2 SER 40 -22.847 -3.044 0.509 299 HB3 SER 40 HB3 SER 40 -23.741 -3.221 -0.995 300 HG SER 40 HG SER 40 -23.418 -5.403 0.741 301 H CYS 41 HN CYS 41 -19.861 -5.715 -1.533 302 HA CYS 41 HA CYS 41 -18.623 -5.735 1.146 303 HB2 CYS 41 HB2 CYS 41 -19.508 -8.159 -0.482 304 HB3 CYS 41 HB3 CYS 41 -18.169 -8.274 0.664 305 HG CYS 41 HG CYS 41 -20.804 -9.076 1.332 306 H TRP 42 HN TRP 42 -16.471 -6.609 0.998 307 HA TRP 42 HA TRP 42 -14.959 -5.700 -1.362 308 HB2 TRP 42 HB2 TRP 42 -14.360 -6.649 1.456 309 HB3 TRP 42 HB3 TRP 42 -13.088 -6.245 0.304 310 HD1 TRP 42 HD1 TRP 42 -15.463 -4.881 2.866 311 HE1 TRP 42 HE1 TRP 42 -15.621 -2.361 2.882 312 HE3 TRP 42 HE3 TRP 42 -13.002 -3.950 -1.493 313 HZ2 TRP 42 HZ2 TRP 42 -14.654 -0.130 1.231 314 HZ3 TRP 42 HZ3 TRP 42 -12.581 -1.611 -2.242 315 HH2 TRP 42 HH2 TRP 42 -13.444 0.293 -0.897 316 H LYS 43 HN LYS 43 -14.397 -7.398 -2.993 317 HA LYS 43 HA LYS 43 -15.115 -10.011 -2.590 318 HB2 LYS 43 HB2 LYS 43 -14.244 -8.254 -4.668 319 HB3 LYS 43 HB3 LYS 43 -12.892 -9.397 -4.477 320 HG2 LYS 43 HG2 LYS 43 -14.645 -11.165 -4.379 321 HG3 LYS 43 HG3 LYS 43 -15.796 -9.957 -4.967 322 HD2 LYS 43 HD2 LYS 43 -13.258 -10.331 -6.562 323 HD3 LYS 43 HD3 LYS 43 -14.519 -11.597 -6.681 324 HE2 LYS 43 HE2 LYS 43 -16.196 -9.931 -7.197 325 HE3 LYS 43 HE3 LYS 43 -15.042 -8.620 -7.054 326 HZ1 LYS 43 HZ1 LYS 43 -15.588 -9.344 -9.304 327 HZ2 LYS 43 HZ2 LYS 43 -14.808 -10.777 -9.072 328 HZ3 LYS 43 HZ3 LYS 43 -13.985 -9.332 -9.007 329 H THR 44 HN THR 44 -13.792 -11.827 -2.259 330 HA THR 44 HA THR 44 -11.037 -11.332 -1.236 331 HB THR 44 HB THR 44 -11.608 -13.121 0.424 332 HG1 THR 44 HG1 THR 44 -13.506 -13.939 -0.569 333 HG21 THR 44 HG21 THR 44 -11.584 -10.660 0.912 334 HG22 THR 44 HG22 THR 44 -12.626 -11.594 1.979 335 HG23 THR 44 HG23 THR 44 -13.301 -10.609 0.637 336 H ASP 45 HN ASP 45 -12.672 -12.668 -3.764 337 HA ASP 45 HA ASP 45 -11.542 -15.301 -3.946 338 HB2 ASP 45 HB2 ASP 45 -13.189 -13.439 -5.556 339 HB3 ASP 45 HB3 ASP 45 -12.052 -14.291 -6.565 340 H LEU 46 HN LEU 46 -10.767 -12.105 -5.284 341 HA LEU 46 HA LEU 46 -8.627 -13.182 -6.892 342 HB2 LEU 46 HB2 LEU 46 -9.374 -10.297 -6.384 343 HB3 LEU 46 HB3 LEU 46 -8.274 -10.877 -7.626 344 HG LEU 46 HG LEU 46 -11.272 -11.360 -7.511 345 HD11 LEU 46 HD11 LEU 46 -11.261 -9.991 -9.558 346 HD12 LEU 46 HD12 LEU 46 -9.500 -9.790 -9.438 347 HD13 LEU 46 HD13 LEU 46 -10.569 -9.090 -8.197 348 HD21 LEU 46 HD21 LEU 46 -10.901 -12.346 -9.798 349 HD22 LEU 46 HD22 LEU 46 -10.299 -13.343 -8.478 350 HD23 LEU 46 HD23 LEU 46 -9.158 -12.402 -9.448 351 H VAL 47 HN VAL 47 -8.726 -12.766 -3.705 352 HA VAL 47 HA VAL 47 -6.199 -11.254 -3.335 353 HB VAL 47 HB VAL 47 -8.267 -12.100 -1.284 354 HG11 VAL 47 HG11 VAL 47 -6.048 -11.561 -0.317 355 HG12 VAL 47 HG12 VAL 47 -6.048 -10.007 -1.154 356 HG13 VAL 47 HG13 VAL 47 -7.228 -10.345 0.130 357 HG21 VAL 47 HG21 VAL 47 -9.394 -10.573 -2.828 358 HG22 VAL 47 HG22 VAL 47 -9.142 -9.842 -1.253 359 HG23 VAL 47 HG23 VAL 47 -8.084 -9.379 -2.605 360 H ALA 48 HN ALA 48 -4.496 -12.235 -2.151 361 HA ALA 48 HA ALA 48 -4.208 -15.075 -2.315 362 HB1 ALA 48 HB1 ALA 48 -2.726 -12.999 -0.623 363 HB2 ALA 48 HB2 ALA 48 -2.181 -14.654 -0.937 364 HB3 ALA 48 HB3 ALA 48 -2.306 -13.501 -2.271 365 HA PRO 49 HA PRO 49 -6.524 -16.282 1.347 366 HB2 PRO 49 HB2 PRO 49 -5.305 -18.579 2.090 367 HB3 PRO 49 HB3 PRO 49 -6.351 -18.431 0.644 368 HG2 PRO 49 HG2 PRO 49 -3.339 -18.348 0.798 369 HG3 PRO 49 HG3 PRO 49 -4.363 -19.243 -0.372 370 HD2 PRO 49 HD2 PRO 49 -3.194 -16.835 -0.951 371 HD3 PRO 49 HD3 PRO 49 -4.797 -17.288 -1.606 372 H GLU 50 HN GLU 50 -2.961 -15.841 1.529 373 HA GLU 50 HA GLU 50 -2.869 -15.916 4.356 374 HB2 GLU 50 HB2 GLU 50 -0.670 -15.010 4.119 375 HB3 GLU 50 HB3 GLU 50 -0.939 -16.151 2.806 376 HG2 GLU 50 HG2 GLU 50 -1.582 -14.052 1.401 377 HG3 GLU 50 HG3 GLU 50 -0.860 -13.123 2.696 378 H TRP 51 HN TRP 51 -4.137 -13.484 2.198 379 HA TRP 51 HA TRP 51 -4.116 -11.357 4.279 380 HB2 TRP 51 HB2 TRP 51 -4.504 -11.437 1.291 381 HB3 TRP 51 HB3 TRP 51 -5.291 -10.172 2.210 382 HD1 TRP 51 HD1 TRP 51 -1.912 -11.377 1.137 383 HE1 TRP 51 HE1 TRP 51 -0.174 -9.543 1.477 384 HE3 TRP 51 HE3 TRP 51 -4.862 -7.941 3.553 385 HZ2 TRP 51 HZ2 TRP 51 -0.019 -6.964 2.835 386 HZ3 TRP 51 HZ3 TRP 51 -3.943 -5.745 4.160 387 HH2 TRP 51 HH2 TRP 51 -1.557 -5.237 3.807 388 H ARG 52 HN ARG 52 -6.459 -12.727 1.924 389 HA ARG 52 HA ARG 52 -8.758 -11.759 3.397 390 HB2 ARG 52 HB2 ARG 52 -10.103 -12.956 1.852 391 HB3 ARG 52 HB3 ARG 52 -8.835 -12.079 1.014 392 HG2 ARG 52 HG2 ARG 52 -8.237 -13.953 -0.072 393 HG3 ARG 52 HG3 ARG 52 -7.780 -14.673 1.461 394 HD2 ARG 52 HD2 ARG 52 -10.582 -14.781 0.305 395 HD3 ARG 52 HD3 ARG 52 -9.366 -16.003 0.056 396 HE ARG 52 HE ARG 52 -9.574 -15.547 2.843 397 HH11 ARG 52 HH11 ARG 52 -11.907 -16.749 0.437 398 HH12 ARG 52 HH12 ARG 52 -13.030 -17.251 1.643 399 HH21 ARG 52 HH21 ARG 52 -10.909 -16.435 4.382 400 HH22 ARG 52 HH22 ARG 52 -12.266 -17.393 3.885 401 H GLN 53 HN GLN 53 -6.709 -14.060 4.364 402 HA GLN 53 HA GLN 53 -8.015 -16.194 5.546 403 HB2 GLN 53 HB2 GLN 53 -5.558 -14.665 5.755 404 HB3 GLN 53 HB3 GLN 53 -6.217 -14.739 7.369 405 HG2 GLN 53 HG2 GLN 53 -6.281 -17.149 7.311 406 HG3 GLN 53 HG3 GLN 53 -5.816 -17.170 5.594 407 HE21 GLN 53 HE21 GLN 53 -4.537 -15.280 8.409 408 HE22 GLN 53 HE22 GLN 53 -2.859 -15.527 8.000 409 H ASP 54 HN ASP 54 -7.763 -12.801 6.716 410 HA ASP 54 HA ASP 54 -9.974 -13.322 8.636 411 HB2 ASP 54 HB2 ASP 54 -7.130 -12.386 9.194 412 HB3 ASP 54 HB3 ASP 54 -8.443 -12.189 10.340 413 H TYR 55 HN TYR 55 -9.221 -11.516 6.090 414 HA TYR 55 HA TYR 55 -9.692 -8.822 7.265 415 HB2 TYR 55 HB2 TYR 55 -8.091 -9.763 4.902 416 HB3 TYR 55 HB3 TYR 55 -8.794 -8.152 4.941 417 HD1 TYR 55 HD2 TYR 55 -6.760 -10.374 7.215 418 HD2 TYR 55 HD1 TYR 55 -7.520 -6.382 5.738 419 HE1 TYR 55 HE2 TYR 55 -5.003 -9.496 8.686 420 HE2 TYR 55 HE1 TYR 55 -5.783 -5.503 7.178 421 HH TYR 55 HH TYR 55 -4.203 -5.981 8.730 422 HA PRO 56 HA PRO 56 -13.489 -9.637 4.664 423 HB2 PRO 56 HB2 PRO 56 -15.287 -8.432 6.361 424 HB3 PRO 56 HB3 PRO 56 -14.843 -10.157 6.468 425 HG2 PRO 56 HG2 PRO 56 -13.716 -7.837 8.066 426 HG3 PRO 56 HG3 PRO 56 -14.295 -9.417 8.676 427 HD2 PRO 56 HD2 PRO 56 -11.670 -8.967 8.263 428 HD3 PRO 56 HD3 PRO 56 -12.363 -10.544 7.852 429 H GLU 57 HN GLU 57 -11.877 -6.881 6.219 430 HA GLU 57 HA GLU 57 -13.171 -5.017 4.298 431 HB2 GLU 57 HB2 GLU 57 -13.448 -5.237 7.242 432 HB3 GLU 57 HB3 GLU 57 -13.055 -3.613 6.693 433 HG2 GLU 57 HG2 GLU 57 -14.935 -3.381 5.363 434 HG3 GLU 57 HG3 GLU 57 -15.173 -5.123 5.175 435 HA PRO 58 HA PRO 58 -9.316 -3.485 3.596 436 HB2 PRO 58 HB2 PRO 58 -9.598 -0.709 3.581 437 HB3 PRO 58 HB3 PRO 58 -9.957 -1.813 2.223 438 HG2 PRO 58 HG2 PRO 58 -11.838 -0.526 4.173 439 HG3 PRO 58 HG3 PRO 58 -12.104 -0.949 2.442 440 HD2 PRO 58 HD2 PRO 58 -13.101 -2.439 4.511 441 HD3 PRO 58 HD3 PRO 58 -12.588 -3.165 2.953 442 HA PRO 59 HA PRO 59 -7.447 -1.994 7.410 443 HB2 PRO 59 HB2 PRO 59 -4.887 -1.545 6.583 444 HB3 PRO 59 HB3 PRO 59 -5.606 -3.179 6.788 445 HG2 PRO 59 HG2 PRO 59 -5.320 -1.584 4.220 446 HG3 PRO 59 HG3 PRO 59 -4.879 -3.298 4.486 447 HD2 PRO 59 HD2 PRO 59 -7.239 -2.467 3.381 448 HD3 PRO 59 HD3 PRO 59 -7.126 -3.949 4.374 449 H ASP 60 HN ASP 60 -8.120 0.044 8.031 450 HA ASP 60 HA ASP 60 -7.687 2.461 6.531 451 HB2 ASP 60 HB2 ASP 60 -8.819 1.659 9.152 452 HB3 ASP 60 HB3 ASP 60 -7.927 3.157 9.250 453 H PHE 61 HN PHE 61 -5.418 2.151 5.914 454 HA PHE 61 HA PHE 61 -3.258 2.070 7.801 455 HB2 PHE 61 HB2 PHE 61 -3.335 3.341 5.033 456 HB3 PHE 61 HB3 PHE 61 -1.877 3.043 5.960 457 HD1 PHE 61 HD1 PHE 61 -0.963 0.822 6.350 458 HD2 PHE 61 HD2 PHE 61 -4.340 1.503 3.750 459 HE1 PHE 61 HE1 PHE 61 -0.611 -1.401 5.288 460 HE2 PHE 61 HE2 PHE 61 -3.887 -0.646 2.606 461 HZ PHE 61 HZ PHE 61 -2.058 -2.116 3.391 462 H ILE 62 HN ILE 62 -5.372 4.667 7.012 463 HA ILE 62 HA ILE 62 -3.613 6.839 7.836 464 HB ILE 62 HB ILE 62 -6.612 6.631 7.359 465 HG12 ILE 62 HG12 ILE 62 -5.225 6.384 5.341 466 HG13 ILE 62 HG13 ILE 62 -6.270 7.781 5.304 467 HG21 ILE 62 HG21 ILE 62 -6.371 8.464 8.902 468 HG22 ILE 62 HG22 ILE 62 -4.987 9.115 7.991 469 HG23 ILE 62 HG23 ILE 62 -6.622 9.124 7.285 470 HD11 ILE 62 HD11 ILE 62 -4.094 8.272 4.352 471 HD12 ILE 62 HD12 ILE 62 -4.311 9.254 5.803 472 HD13 ILE 62 HD13 ILE 62 -3.264 7.815 5.848 473 H ALA 63 HN ALA 63 -6.715 5.721 9.315 474 HA ALA 63 HA ALA 63 -5.960 6.849 11.812 475 HB1 ALA 63 HB1 ALA 63 -8.185 4.910 11.072 476 HB2 ALA 63 HB2 ALA 63 -8.027 5.754 12.622 477 HB3 ALA 63 HB3 ALA 63 -8.261 6.696 11.159 478 H SER 64 HN SER 64 -5.322 3.582 10.586 479 HA SER 64 HA SER 64 -4.577 2.620 13.290 480 HB2 SER 64 HB2 SER 64 -6.967 2.088 12.448 481 HB3 SER 64 HB3 SER 64 -6.167 1.031 11.268 482 HG SER 64 HG SER 64 -6.650 0.677 13.895 483 H ARG 65 HN ARG 65 -3.676 0.185 12.801 484 HA ARG 65 HA ARG 65 -1.991 0.232 10.459 485 HB2 ARG 65 HB2 ARG 65 0.181 0.062 11.626 486 HB3 ARG 65 HB3 ARG 65 -0.614 1.606 11.753 487 HG2 ARG 65 HG2 ARG 65 0.358 1.250 13.797 488 HG3 ARG 65 HG3 ARG 65 -1.343 0.984 14.109 489 HD2 ARG 65 HD2 ARG 65 -1.002 -1.408 14.335 490 HD3 ARG 65 HD3 ARG 65 0.579 -1.303 13.556 491 HE ARG 65 HE ARG 65 1.096 0.237 15.607 492 HH11 ARG 65 HH11 ARG 65 -0.637 -2.913 15.739 493 HH12 ARG 65 HH12 ARG 65 -0.081 -3.291 17.311 494 HH21 ARG 65 HH21 ARG 65 2.051 -0.432 17.538 495 HH22 ARG 65 HH22 ARG 65 1.429 -1.837 18.364 496 HA PRO 66 HA PRO 66 -2.880 -4.001 12.230 497 HB2 PRO 66 HB2 PRO 66 -4.963 -4.900 10.694 498 HB3 PRO 66 HB3 PRO 66 -5.172 -3.990 12.222 499 HG2 PRO 66 HG2 PRO 66 -5.321 -2.925 9.382 500 HG3 PRO 66 HG3 PRO 66 -6.426 -2.604 10.753 501 HD2 PRO 66 HD2 PRO 66 -4.411 -0.870 10.079 502 HD3 PRO 66 HD3 PRO 66 -4.917 -1.135 11.766 503 H ALA 67 HN ALA 67 -3.370 -3.000 8.855 504 HA ALA 67 HA ALA 67 -2.172 -5.429 7.730 505 HB1 ALA 67 HB1 ALA 67 -3.801 -4.339 6.377 506 HB2 ALA 67 HB2 ALA 67 -2.917 -2.776 6.450 507 HB3 ALA 67 HB3 ALA 67 -2.254 -4.142 5.573 508 H THR 68 HN THR 68 -0.813 -2.602 9.110 509 HA THR 68 HA THR 68 1.532 -2.296 7.541 510 HB THR 68 HB THR 68 0.914 -1.815 10.473 511 HG1 THR 68 HG1 THR 68 -0.337 -0.685 8.835 512 HG21 THR 68 HG21 THR 68 3.264 -0.826 8.811 513 HG22 THR 68 HG22 THR 68 3.303 -1.770 10.317 514 HG23 THR 68 HG23 THR 68 2.728 -0.101 10.349 515 H VAL 69 HN VAL 69 0.696 -4.716 10.067 516 HA VAL 69 HA VAL 69 3.307 -5.937 10.179 517 HB VAL 69 HB VAL 69 0.547 -7.203 10.589 518 HG11 VAL 69 HG11 VAL 69 3.300 -7.986 11.642 519 HG12 VAL 69 HG12 VAL 69 1.757 -8.771 12.073 520 HG13 VAL 69 HG13 VAL 69 2.367 -8.865 10.420 521 HG21 VAL 69 HG21 VAL 69 2.287 -5.719 12.585 522 HG22 VAL 69 HG22 VAL 69 0.663 -5.260 12.020 523 HG23 VAL 69 HG23 VAL 69 0.875 -6.712 13.003 524 H LYS 70 HN LYS 70 0.342 -6.499 8.265 525 HA LYS 70 HA LYS 70 1.298 -8.869 7.049 526 HB2 LYS 70 HB2 LYS 70 -1.127 -7.650 7.341 527 HB3 LYS 70 HB3 LYS 70 -0.846 -7.253 5.689 528 HG2 LYS 70 HG2 LYS 70 -1.187 -9.422 5.003 529 HG3 LYS 70 HG3 LYS 70 -0.230 -10.084 6.297 530 HD2 LYS 70 HD2 LYS 70 -2.346 -9.379 7.814 531 HD3 LYS 70 HD3 LYS 70 -3.176 -9.405 6.237 532 HE2 LYS 70 HE2 LYS 70 -3.450 -11.579 7.155 533 HE3 LYS 70 HE3 LYS 70 -2.194 -11.743 5.920 534 HZ1 LYS 70 HZ1 LYS 70 -1.708 -12.882 8.081 535 HZ2 LYS 70 HZ2 LYS 70 -1.589 -11.434 8.822 536 HZ3 LYS 70 HZ3 LYS 70 -0.552 -11.833 7.616 537 H LEU 71 HN LEU 71 1.353 -5.500 6.029 538 HA LEU 71 HA LEU 71 2.523 -5.698 3.462 539 HB2 LEU 71 HB2 LEU 71 2.267 -3.688 5.645 540 HB3 LEU 71 HB3 LEU 71 3.728 -3.496 4.681 541 HG LEU 71 HG LEU 71 2.407 -3.413 2.644 542 HD11 LEU 71 HD11 LEU 71 0.489 -4.725 3.153 543 HD12 LEU 71 HD12 LEU 71 -0.018 -3.118 2.657 544 HD13 LEU 71 HD13 LEU 71 -0.050 -3.529 4.385 545 HD21 LEU 71 HD21 LEU 71 1.306 -1.212 3.040 546 HD22 LEU 71 HD22 LEU 71 2.963 -1.333 3.641 547 HD23 LEU 71 HD23 LEU 71 1.601 -1.432 4.780 548 H THR 72 HN THR 72 4.132 -5.752 6.747 549 HA THR 72 HA THR 72 6.739 -5.813 5.703 550 HB THR 72 HB THR 72 5.587 -6.800 8.331 551 HG1 THR 72 HG1 THR 72 7.057 -4.496 8.131 552 HG21 THR 72 HG21 THR 72 8.451 -6.184 7.540 553 HG22 THR 72 HG22 THR 72 7.761 -7.757 8.010 554 HG23 THR 72 HG23 THR 72 7.864 -6.466 9.218 555 H ARG 73 HN ARG 73 4.413 -8.401 6.312 556 HA ARG 73 HA ARG 73 6.099 -10.613 5.918 557 HB2 ARG 73 HB2 ARG 73 3.313 -10.500 4.725 558 HB3 ARG 73 HB3 ARG 73 4.221 -11.917 5.171 559 HG2 ARG 73 HG2 ARG 73 3.141 -9.823 7.088 560 HG3 ARG 73 HG3 ARG 73 2.412 -11.382 6.759 561 HD2 ARG 73 HD2 ARG 73 5.182 -11.734 7.629 562 HD3 ARG 73 HD3 ARG 73 4.330 -10.638 8.707 563 HE ARG 73 HE ARG 73 3.441 -12.449 9.672 564 HH11 ARG 73 HH11 ARG 73 4.215 -13.537 6.403 565 HH12 ARG 73 HH12 ARG 73 3.171 -14.924 6.451 566 HH21 ARG 73 HH21 ARG 73 2.480 -14.601 9.872 567 HH22 ARG 73 HH22 ARG 73 2.294 -15.552 8.459 568 H SER 74 HN SER 74 4.770 -8.398 3.485 569 HA SER 74 HA SER 74 5.899 -9.895 1.225 570 HB2 SER 74 HB2 SER 74 3.777 -9.034 0.851 571 HB3 SER 74 HB3 SER 74 4.102 -7.490 1.642 572 HG SER 74 HG SER 74 5.339 -8.303 -0.794 573 H ILE 75 HN ILE 75 7.358 -7.909 3.536 574 HA ILE 75 HA ILE 75 9.128 -6.587 1.527 575 HB ILE 75 HB ILE 75 8.232 -5.643 4.238 576 HG12 ILE 75 HG12 ILE 75 7.932 -4.238 1.543 577 HG13 ILE 75 HG13 ILE 75 6.705 -5.340 2.135 578 HG21 ILE 75 HG21 ILE 75 10.439 -4.944 4.162 579 HG22 ILE 75 HG22 ILE 75 10.421 -4.637 2.402 580 HG23 ILE 75 HG23 ILE 75 9.604 -3.548 3.533 581 HD11 ILE 75 HD11 ILE 75 5.991 -3.180 2.778 582 HD12 ILE 75 HD12 ILE 75 6.557 -3.970 4.260 583 HD13 ILE 75 HD13 ILE 75 7.558 -2.741 3.447 584 HA PRO 76 HA PRO 76 11.695 -9.774 3.697 585 HB2 PRO 76 HB2 PRO 76 12.966 -10.785 1.520 586 HB3 PRO 76 HB3 PRO 76 11.240 -11.155 1.793 587 HG2 PRO 76 HG2 PRO 76 12.279 -8.925 0.079 588 HG3 PRO 76 HG3 PRO 76 11.215 -10.299 -0.400 589 HD2 PRO 76 HD2 PRO 76 10.086 -7.986 0.410 590 HD3 PRO 76 HD3 PRO 76 9.453 -9.540 1.017 591 H ALA 77 HN ALA 77 14.264 -9.997 3.233 592 HA ALA 77 HA ALA 77 15.302 -7.521 4.184 593 HB1 ALA 77 HB1 ALA 77 17.395 -8.679 4.318 594 HB2 ALA 77 HB2 ALA 77 16.129 -9.813 4.768 595 HB3 ALA 77 HB3 ALA 77 16.855 -9.927 3.172 596 HA PRO 78 HA PRO 78 17.279 -6.832 -0.127 597 HB2 PRO 78 HB2 PRO 78 16.032 -7.849 -2.374 598 HB3 PRO 78 HB3 PRO 78 17.385 -8.639 -1.507 599 HG2 PRO 78 HG2 PRO 78 14.411 -9.149 -1.174 600 HG3 PRO 78 HG3 PRO 78 15.720 -10.361 -1.367 601 HD2 PRO 78 HD2 PRO 78 14.827 -9.854 1.030 602 HD3 PRO 78 HD3 PRO 78 16.591 -9.969 0.764 603 H TYR 79 HN TYR 79 13.946 -6.553 0.803 604 HA TYR 79 HA TYR 79 13.471 -4.493 -1.299 605 HB2 TYR 79 HB2 TYR 79 11.594 -6.429 0.024 606 HB3 TYR 79 HB3 TYR 79 11.070 -5.144 -1.037 607 HD1 TYR 79 HD1 TYR 79 13.676 -5.544 -2.968 608 HD2 TYR 79 HD2 TYR 79 10.505 -8.155 -1.551 609 HE1 TYR 79 HE1 TYR 79 13.935 -6.855 -4.868 610 HE2 TYR 79 HE2 TYR 79 10.817 -9.555 -3.517 611 HH TYR 79 HH TYR 79 12.119 -9.992 -5.433 612 H LYS 80 HN LYS 80 14.689 -4.105 1.454 613 HA LYS 80 HA LYS 80 12.526 -3.023 3.093 614 HB2 LYS 80 HB2 LYS 80 15.553 -2.848 3.498 615 HB3 LYS 80 HB3 LYS 80 14.351 -2.273 4.641 616 HG2 LYS 80 HG2 LYS 80 14.881 -5.140 3.856 617 HG3 LYS 80 HG3 LYS 80 15.068 -4.386 5.430 618 HD2 LYS 80 HD2 LYS 80 12.454 -3.917 5.155 619 HD3 LYS 80 HD3 LYS 80 12.590 -5.191 3.938 620 HE2 LYS 80 HE2 LYS 80 12.067 -6.505 5.696 621 HE3 LYS 80 HE3 LYS 80 13.831 -6.485 5.917 622 HZ1 LYS 80 HZ1 LYS 80 13.458 -4.596 7.467 623 HZ2 LYS 80 HZ2 LYS 80 12.775 -5.989 7.978 624 HZ3 LYS 80 HZ3 LYS 80 11.842 -4.777 7.336 625 H GLN 81 HN GLN 81 14.952 -1.474 1.001 626 HA GLN 81 HA GLN 81 13.951 1.176 1.939 627 HB2 GLN 81 HB2 GLN 81 16.595 0.381 0.659 628 HB3 GLN 81 HB3 GLN 81 16.108 2.001 1.144 629 HG2 GLN 81 HG2 GLN 81 15.806 1.091 3.486 630 HG3 GLN 81 HG3 GLN 81 16.653 -0.368 2.953 631 HE21 GLN 81 HE21 GLN 81 18.372 0.340 4.729 632 HE22 GLN 81 HE22 GLN 81 19.524 1.507 4.182 633 H LEU 82 HN LEU 82 12.600 -0.430 -0.228 634 HA LEU 82 HA LEU 82 13.562 0.486 -2.769 635 HB2 LEU 82 HB2 LEU 82 10.803 -0.543 -2.124 636 HB3 LEU 82 HB3 LEU 82 11.546 -0.390 -3.727 637 HG LEU 82 HG LEU 82 12.494 -2.246 -1.537 638 HD11 LEU 82 HD11 LEU 82 10.352 -2.936 -2.569 639 HD12 LEU 82 HD12 LEU 82 11.664 -4.042 -2.987 640 HD13 LEU 82 HD13 LEU 82 11.125 -2.873 -4.178 641 HD21 LEU 82 HD21 LEU 82 13.938 -3.261 -3.280 642 HD22 LEU 82 HD22 LEU 82 14.415 -1.611 -2.895 643 HD23 LEU 82 HD23 LEU 82 13.508 -1.939 -4.390 644 H LEU 83 HN LEU 83 11.440 2.047 -0.472 645 HA LEU 83 HA LEU 83 10.385 4.115 -2.166 646 HB2 LEU 83 HB2 LEU 83 10.918 3.661 0.770 647 HB3 LEU 83 HB3 LEU 83 11.003 5.345 0.304 648 HG LEU 83 HG LEU 83 8.611 3.525 -0.138 649 HD11 LEU 83 HD11 LEU 83 8.927 4.151 2.202 650 HD12 LEU 83 HD12 LEU 83 7.559 5.048 1.528 651 HD13 LEU 83 HD13 LEU 83 9.123 5.857 1.762 652 HD21 LEU 83 HD21 LEU 83 9.282 6.288 -1.115 653 HD22 LEU 83 HD22 LEU 83 7.611 5.954 -0.631 654 HD23 LEU 83 HD23 LEU 83 8.374 4.993 -1.903 655 H LYS 84 HN LYS 84 13.791 3.670 -1.213 656 HA LYS 84 HA LYS 84 14.293 6.227 -2.549 657 HB2 LYS 84 HB2 LYS 84 16.600 5.732 -1.462 658 HB3 LYS 84 HB3 LYS 84 15.323 6.761 -0.756 659 HG2 LYS 84 HG2 LYS 84 14.616 4.924 0.673 660 HG3 LYS 84 HG3 LYS 84 15.846 3.905 -0.107 661 HD2 LYS 84 HD2 LYS 84 17.614 4.950 1.006 662 HD3 LYS 84 HD3 LYS 84 16.740 6.492 1.169 663 HE2 LYS 84 HE2 LYS 84 15.790 4.023 2.642 664 HE3 LYS 84 HE3 LYS 84 17.095 5.030 3.300 665 HZ1 LYS 84 HZ1 LYS 84 15.728 6.844 3.440 666 HZ2 LYS 84 HZ2 LYS 84 14.733 5.631 3.970 667 HZ3 LYS 84 HZ3 LYS 84 14.547 6.227 2.460 668 H GLU 85 HN GLU 85 14.967 2.770 -2.501 669 HA GLU 85 HA GLU 85 16.975 3.005 -4.570 670 HB2 GLU 85 HB2 GLU 85 15.562 0.555 -3.460 671 HB3 GLU 85 HB3 GLU 85 16.981 0.566 -4.499 672 HG2 GLU 85 HG2 GLU 85 18.070 2.098 -2.659 673 HG3 GLU 85 HG3 GLU 85 16.764 1.529 -1.623 674 H GLU 86 HN GLU 86 13.473 3.009 -4.862 675 HA GLU 86 HA GLU 86 13.820 2.478 -7.783 676 HB2 GLU 86 HB2 GLU 86 11.487 2.040 -5.904 677 HB3 GLU 86 HB3 GLU 86 11.371 1.901 -7.637 678 HG2 GLU 86 HG2 GLU 86 13.325 0.178 -6.038 679 HG3 GLU 86 HG3 GLU 86 11.630 -0.240 -6.164 680 H LEU 87 HN LEU 87 13.064 4.678 -5.316 681 HA LEU 87 HA LEU 87 11.634 6.568 -7.139 682 HB2 LEU 87 HB2 LEU 87 11.134 5.763 -4.269 683 HB3 LEU 87 HB3 LEU 87 10.748 7.402 -4.778 684 HG LEU 87 HG LEU 87 9.491 6.205 -6.696 685 HD11 LEU 87 HD11 LEU 87 8.409 4.107 -5.936 686 HD12 LEU 87 HD12 LEU 87 9.773 3.969 -4.768 687 HD13 LEU 87 HD13 LEU 87 10.059 4.024 -6.529 688 HD21 LEU 87 HD21 LEU 87 7.420 6.153 -5.332 689 HD22 LEU 87 HD22 LEU 87 8.401 7.562 -4.938 690 HD23 LEU 87 HD23 LEU 87 8.410 6.169 -3.850 691 H GLY 88 HN GLY 88 13.039 6.900 -3.890 692 HA2 GLY 88 HA2 GLY 88 15.277 8.050 -3.649 693 HA3 GLY 88 HA1 GLY 88 14.704 9.198 -4.855 694 H PHE 89 HN PHE 89 13.138 7.699 -1.914 695 HA PHE 89 HA PHE 89 12.734 10.421 -0.819 696 HB2 PHE 89 HB2 PHE 89 10.697 9.669 -1.896 697 HB3 PHE 89 HB3 PHE 89 10.778 8.121 -1.065 698 HD1 PHE 89 HD2 PHE 89 10.936 11.766 -0.018 699 HD2 PHE 89 HD1 PHE 89 9.185 7.873 0.608 700 HE1 PHE 89 HE2 PHE 89 9.406 12.713 1.678 701 HE2 PHE 89 HE1 PHE 89 7.680 8.816 2.329 702 HZ PHE 89 HZ PHE 89 7.747 11.264 2.816 703 H ALA 90 HN ALA 90 12.703 10.434 1.524 704 HA ALA 90 HA ALA 90 13.269 7.837 2.869 705 HB1 ALA 90 HB1 ALA 90 14.623 9.010 4.517 706 HB2 ALA 90 HB2 ALA 90 15.280 9.240 2.874 707 HB3 ALA 90 HB3 ALA 90 14.374 10.539 3.670 708 H GLY 91 HN GLY 91 12.108 11.255 3.589 709 HA2 GLY 91 HA2 GLY 91 9.632 10.258 4.725 710 HA3 GLY 91 HA1 GLY 91 10.790 10.862 5.922 711 H TYR 92 HN TYR 92 8.350 12.132 5.590 712 HA TYR 92 HA TYR 92 8.329 14.284 3.691 713 HB2 TYR 92 HB2 TYR 92 6.801 13.718 6.267 714 HB3 TYR 92 HB3 TYR 92 6.489 15.114 5.259 715 HD1 TYR 92 HD2 TYR 92 6.293 11.364 5.335 716 HD2 TYR 92 HD1 TYR 92 5.382 14.959 3.132 717 HE1 TYR 92 HE2 TYR 92 4.870 10.065 3.781 718 HE2 TYR 92 HE1 TYR 92 3.933 13.695 1.623 719 HH TYR 92 HH TYR 92 3.019 11.655 1.106 720 H SER 93 HN SER 93 8.277 16.695 4.352 721 HA SER 93 HA SER 93 10.711 17.445 5.629 722 HB2 SER 93 HB2 SER 93 8.426 19.352 5.470 723 HB3 SER 93 HB3 SER 93 10.113 19.590 5.031 724 HG SER 93 HG SER 93 9.695 18.376 3.101 725 H ILE 94 HN ILE 94 10.964 18.503 7.620 726 HA ILE 94 HA ILE 94 9.597 17.563 9.813 727 HB ILE 94 HB ILE 94 11.729 18.534 10.046 728 HG12 ILE 94 HG12 ILE 94 11.398 19.958 12.077 729 HG13 ILE 94 HG13 ILE 94 9.690 20.099 11.716 730 HG21 ILE 94 HG21 ILE 94 10.520 21.270 9.549 731 HG22 ILE 94 HG22 ILE 94 12.198 20.915 9.993 732 HG23 ILE 94 HG23 ILE 94 11.580 20.376 8.436 733 HD11 ILE 94 HD11 ILE 94 11.138 17.472 12.260 734 HD12 ILE 94 HD12 ILE 94 10.194 18.375 13.451 735 HD13 ILE 94 HD13 ILE 94 9.383 17.651 12.047 736 H ASN 95 HN ASN 95 8.839 20.579 8.131 737 HA ASN 95 HA ASN 95 6.786 21.384 9.915 738 HB2 ASN 95 HB2 ASN 95 6.642 22.064 6.966 739 HB3 ASN 95 HB3 ASN 95 6.195 23.034 8.351 740 HD21 ASN 95 HD21 ASN 95 8.385 22.948 5.935 741 HD22 ASN 95 HD22 ASN 95 9.772 23.619 6.754 742 H GLU 96 HN GLU 96 6.856 18.949 7.547 743 HA GLU 96 HA GLU 96 3.940 18.763 7.054 744 HB2 GLU 96 HB2 GLU 96 6.353 17.868 5.438 745 HB3 GLU 96 HB3 GLU 96 4.685 17.587 4.971 746 HG2 GLU 96 HG2 GLU 96 5.826 20.396 5.359 747 HG3 GLU 96 HG3 GLU 96 5.868 19.515 3.835 748 H LEU 97 HN LEU 97 6.045 17.481 9.153 749 HA LEU 97 HA LEU 97 5.810 14.726 8.504 750 HB2 LEU 97 HB2 LEU 97 7.451 16.424 10.185 751 HB3 LEU 97 HB3 LEU 97 6.889 15.162 11.223 752 HG LEU 97 HG LEU 97 8.452 14.873 8.615 753 HD11 LEU 97 HD11 LEU 97 9.151 14.218 11.509 754 HD12 LEU 97 HD12 LEU 97 9.761 15.605 10.589 755 HD13 LEU 97 HD13 LEU 97 10.211 13.969 10.098 756 HD21 LEU 97 HD21 LEU 97 8.622 12.440 9.199 757 HD22 LEU 97 HD22 LEU 97 7.012 12.944 8.722 758 HD23 LEU 97 HD23 LEU 97 7.373 12.696 10.451 759 H VAL 98 HN VAL 98 3.361 15.567 8.655 760 HA VAL 98 HA VAL 98 2.017 15.251 11.154 761 HB VAL 98 HB VAL 98 -0.002 15.434 9.768 762 HG11 VAL 98 HG11 VAL 98 1.299 17.446 10.291 763 HG12 VAL 98 HG12 VAL 98 2.164 17.278 8.735 764 HG13 VAL 98 HG13 VAL 98 0.393 17.565 8.778 765 HG21 VAL 98 HG21 VAL 98 0.511 14.145 7.775 766 HG22 VAL 98 HG22 VAL 98 0.161 15.796 7.308 767 HG23 VAL 98 HG23 VAL 98 1.851 15.260 7.374 768 HA PRO 99 HA PRO 99 1.483 10.870 11.280 769 HB2 PRO 99 HB2 PRO 99 -1.012 10.563 12.384 770 HB3 PRO 99 HB3 PRO 99 0.450 11.069 13.288 771 HG2 PRO 99 HG2 PRO 99 -1.717 12.840 12.107 772 HG3 PRO 99 HG3 PRO 99 -1.014 12.903 13.760 773 HD2 PRO 99 HD2 PRO 99 -0.153 14.562 11.809 774 HD3 PRO 99 HD3 PRO 99 1.013 13.837 12.953 775 H ARG 100 HN ARG 100 -0.698 12.906 9.351 776 HA ARG 100 HA ARG 100 -1.974 10.460 8.229 777 HB2 ARG 100 HB2 ARG 100 -2.498 13.400 7.803 778 HB3 ARG 100 HB3 ARG 100 -3.313 12.115 6.895 779 HG2 ARG 100 HG2 ARG 100 -4.166 11.152 9.021 780 HG3 ARG 100 HG3 ARG 100 -3.307 12.382 9.933 781 HD2 ARG 100 HD2 ARG 100 -5.568 13.026 9.875 782 HD3 ARG 100 HD3 ARG 100 -4.682 14.155 8.863 783 HE ARG 100 HE ARG 100 -5.556 13.132 6.900 784 HH11 ARG 100 HH11 ARG 100 -7.541 12.796 9.814 785 HH12 ARG 100 HH12 ARG 100 -8.850 12.072 8.957 786 HH21 ARG 100 HH21 ARG 100 -7.472 12.431 5.809 787 HH22 ARG 100 HH22 ARG 100 -8.821 11.881 6.738 788 H LYS 101 HN LYS 101 0.851 12.256 7.595 789 HA LYS 101 HA LYS 101 1.062 11.234 4.788 790 HB2 LYS 101 HB2 LYS 101 2.437 13.425 6.365 791 HB3 LYS 101 HB3 LYS 101 3.280 12.642 5.078 792 HG2 LYS 101 HG2 LYS 101 1.759 13.331 3.393 793 HG3 LYS 101 HG3 LYS 101 0.568 13.898 4.572 794 HD2 LYS 101 HD2 LYS 101 1.762 15.840 5.080 795 HD3 LYS 101 HD3 LYS 101 3.307 15.136 4.674 796 HE2 LYS 101 HE2 LYS 101 2.760 16.883 3.099 797 HE3 LYS 101 HE3 LYS 101 2.846 15.336 2.265 798 HZ1 LYS 101 HZ1 LYS 101 0.336 16.658 3.117 799 HZ2 LYS 101 HZ2 LYS 101 0.454 15.286 2.187 800 HZ3 LYS 101 HZ3 LYS 101 0.934 16.737 1.609 801 H THR 102 HN THR 102 2.841 11.161 8.000 802 HA THR 102 HA THR 102 4.919 9.567 7.065 803 HB THR 102 HB THR 102 4.978 8.779 9.517 804 HG1 THR 102 HG1 THR 102 3.533 10.453 10.707 805 HG21 THR 102 HG21 THR 102 5.710 10.962 10.316 806 HG22 THR 102 HG22 THR 102 4.856 11.781 8.987 807 HG23 THR 102 HG23 THR 102 6.236 10.719 8.645 808 H ARG 103 HN ARG 103 1.825 8.417 8.476 809 HA ARG 103 HA ARG 103 2.415 5.676 8.183 810 HB2 ARG 103 HB2 ARG 103 -0.290 7.075 8.137 811 HB3 ARG 103 HB3 ARG 103 -0.044 5.331 8.344 812 HG2 ARG 103 HG2 ARG 103 1.222 5.697 10.414 813 HG3 ARG 103 HG3 ARG 103 1.075 7.455 10.237 814 HD2 ARG 103 HD2 ARG 103 -1.381 7.287 10.364 815 HD3 ARG 103 HD3 ARG 103 -1.251 5.529 10.555 816 HE ARG 103 HE ARG 103 0.288 7.084 12.501 817 HH11 ARG 103 HH11 ARG 103 -2.987 5.973 11.804 818 HH12 ARG 103 HH12 ARG 103 -3.479 5.803 13.462 819 HH21 ARG 103 HH21 ARG 103 -0.357 7.028 14.686 820 HH22 ARG 103 HH22 ARG 103 -1.971 6.513 15.133 821 H ARG 104 HN ARG 104 1.539 7.917 5.592 822 HA ARG 104 HA ARG 104 0.428 5.932 3.811 823 HB2 ARG 104 HB2 ARG 104 1.814 8.551 3.111 824 HB3 ARG 104 HB3 ARG 104 0.836 7.564 2.053 825 HG2 ARG 104 HG2 ARG 104 -0.620 8.358 4.492 826 HG3 ARG 104 HG3 ARG 104 -0.016 9.728 3.571 827 HD2 ARG 104 HD2 ARG 104 -1.373 7.657 1.921 828 HD3 ARG 104 HD3 ARG 104 -2.389 8.385 3.140 829 HE ARG 104 HE ARG 104 -1.665 9.563 0.699 830 HH11 ARG 104 HH11 ARG 104 -2.012 10.591 4.124 831 HH12 ARG 104 HH12 ARG 104 -2.781 12.074 3.693 832 HH21 ARG 104 HH21 ARG 104 -2.511 11.681 0.198 833 HH22 ARG 104 HH22 ARG 104 -2.915 12.744 1.482 834 H ALA 105 HN ALA 105 3.683 7.298 4.294 835 HA ALA 105 HA ALA 105 5.086 6.030 2.314 836 HB1 ALA 105 HB1 ALA 105 6.039 7.661 3.939 837 HB2 ALA 105 HB2 ALA 105 6.098 6.377 5.168 838 HB3 ALA 105 HB3 ALA 105 7.088 6.248 3.706 839 H THR 106 HN THR 106 3.696 4.348 5.047 840 HA THR 106 HA THR 106 5.218 1.996 4.987 841 HB THR 106 HB THR 106 2.179 2.108 5.348 842 HG1 THR 106 HG1 THR 106 2.607 3.645 6.657 843 HG21 THR 106 HG21 THR 106 4.169 0.594 7.027 844 HG22 THR 106 HG22 THR 106 3.449 -0.108 5.573 845 HG23 THR 106 HG23 THR 106 2.413 0.374 6.935 846 H MET 107 HN MET 107 2.281 2.877 3.034 847 HA MET 107 HA MET 107 2.330 0.248 1.763 848 HB2 MET 107 HB2 MET 107 0.510 0.957 0.469 849 HB3 MET 107 HB3 MET 107 0.197 1.167 2.184 850 HG2 MET 107 HG2 MET 107 1.298 3.597 0.896 851 HG3 MET 107 HG3 MET 107 -0.162 3.008 0.148 852 HE1 MET 107 HE1 MET 107 -2.513 3.429 1.041 853 HE2 MET 107 HE2 MET 107 -2.081 1.957 1.960 854 HE3 MET 107 HE3 MET 107 -2.877 3.306 2.779 855 H THR 108 HN THR 108 3.562 3.520 0.940 856 HA THR 108 HA THR 108 3.931 2.896 -1.774 857 HB THR 108 HB THR 108 5.896 4.609 -0.256 858 HG1 THR 108 HG1 THR 108 3.176 5.144 -0.807 859 HG21 THR 108 HG21 THR 108 5.873 5.884 -2.342 860 HG22 THR 108 HG22 THR 108 4.446 4.992 -2.921 861 HG23 THR 108 HG23 THR 108 6.024 4.192 -2.777 862 H ASN 109 HN ASN 109 6.198 2.318 1.046 863 HA ASN 109 HA ASN 109 8.243 1.174 -0.555 864 HB2 ASN 109 HB2 ASN 109 8.283 1.711 2.013 865 HB3 ASN 109 HB3 ASN 109 7.596 0.117 2.216 866 HD21 ASN 109 HD21 ASN 109 8.904 -1.802 1.535 867 HD22 ASN 109 HD22 ASN 109 10.592 -1.646 1.201 868 H TRP 110 HN TRP 110 5.236 -0.206 0.629 869 HA TRP 110 HA TRP 110 5.909 -2.975 0.062 870 HB2 TRP 110 HB2 TRP 110 4.242 -2.456 1.734 871 HB3 TRP 110 HB3 TRP 110 3.304 -1.521 0.598 872 HD1 TRP 110 HD1 TRP 110 4.341 -5.205 1.131 873 HE1 TRP 110 HE1 TRP 110 2.766 -6.679 -0.120 874 HE3 TRP 110 HE3 TRP 110 1.520 -1.609 -1.075 875 HZ2 TRP 110 HZ2 TRP 110 0.154 -6.361 -1.622 876 HZ3 TRP 110 HZ3 TRP 110 -0.291 -2.229 -2.683 877 HH2 TRP 110 HH2 TRP 110 -0.916 -4.607 -2.981 878 H LEU 111 HN LEU 111 4.240 -0.339 -1.792 879 HA LEU 111 HA LEU 111 3.240 -2.085 -3.809 880 HB2 LEU 111 HB2 LEU 111 3.878 0.879 -3.719 881 HB3 LEU 111 HB3 LEU 111 3.372 0.117 -5.221 882 HG LEU 111 HG LEU 111 1.731 -0.347 -2.745 883 HD11 LEU 111 HD11 LEU 111 2.007 2.104 -2.893 884 HD12 LEU 111 HD12 LEU 111 0.347 1.549 -3.090 885 HD13 LEU 111 HD13 LEU 111 1.267 2.060 -4.517 886 HD21 LEU 111 HD21 LEU 111 -0.115 -0.549 -4.373 887 HD22 LEU 111 HD22 LEU 111 1.207 -1.656 -4.793 888 HD23 LEU 111 HD23 LEU 111 0.987 -0.125 -5.683 889 H LEU 112 HN LEU 112 6.491 -0.583 -3.462 890 HA LEU 112 HA LEU 112 7.473 -1.562 -5.980 891 HB2 LEU 112 HB2 LEU 112 8.952 -1.061 -3.373 892 HB3 LEU 112 HB3 LEU 112 9.679 -1.441 -4.925 893 HG LEU 112 HG LEU 112 9.997 0.821 -4.634 894 HD11 LEU 112 HD11 LEU 112 7.632 0.571 -6.518 895 HD12 LEU 112 HD12 LEU 112 9.304 0.124 -6.893 896 HD13 LEU 112 HD13 LEU 112 8.903 1.807 -6.561 897 HD21 LEU 112 HD21 LEU 112 8.359 2.472 -4.084 898 HD22 LEU 112 HD22 LEU 112 8.409 1.205 -2.854 899 HD23 LEU 112 HD23 LEU 112 7.092 1.257 -4.059 900 H ALA 113 HN ALA 113 7.430 -2.973 -2.656 901 HA ALA 113 HA ALA 113 8.855 -5.332 -3.363 902 HB1 ALA 113 HB1 ALA 113 6.800 -5.048 -1.139 903 HB2 ALA 113 HB2 ALA 113 8.134 -6.211 -1.266 904 HB3 ALA 113 HB3 ALA 113 8.497 -4.492 -1.036 905 H TYR 114 HN TYR 114 5.388 -4.555 -3.530 906 HA TYR 114 HA TYR 114 4.401 -7.109 -4.333 907 HB2 TYR 114 HB2 TYR 114 2.849 -5.403 -3.687 908 HB3 TYR 114 HB3 TYR 114 3.481 -4.263 -4.850 909 HD1 TYR 114 HD2 TYR 114 2.115 -7.780 -4.985 910 HD2 TYR 114 HD1 TYR 114 2.122 -3.850 -6.711 911 HE1 TYR 114 HE2 TYR 114 0.199 -8.420 -6.408 912 HE2 TYR 114 HE1 TYR 114 0.194 -4.478 -8.160 913 HH TYR 114 HH TYR 114 -1.755 -7.196 -7.373 914 H ARG 115 HN ARG 115 5.324 -4.234 -6.460 915 HA ARG 115 HA ARG 115 4.968 -5.915 -8.721 916 HB2 ARG 115 HB2 ARG 115 5.757 -4.153 -10.091 917 HB3 ARG 115 HB3 ARG 115 4.732 -3.494 -8.815 918 HG2 ARG 115 HG2 ARG 115 6.866 -2.867 -7.572 919 HG3 ARG 115 HG3 ARG 115 7.764 -3.362 -9.016 920 HD2 ARG 115 HD2 ARG 115 6.194 -1.701 -10.286 921 HD3 ARG 115 HD3 ARG 115 5.722 -1.134 -8.687 922 HE ARG 115 HE ARG 115 7.606 0.120 -8.608 923 HH11 ARG 115 HH11 ARG 115 8.185 -2.267 -11.188 924 HH12 ARG 115 HH12 ARG 115 9.899 -2.072 -11.166 925 HH21 ARG 115 HH21 ARG 115 9.572 0.870 -9.158 926 HH22 ARG 115 HH22 ARG 115 10.782 -0.089 -9.957 927 H ARG 116 HN ARG 116 7.825 -5.310 -6.732 928 HA ARG 116 HA ARG 116 9.778 -6.706 -8.223 929 HB2 ARG 116 HB2 ARG 116 9.305 -6.361 -5.263 930 HB3 ARG 116 HB3 ARG 116 10.527 -7.470 -5.843 931 HG2 ARG 116 HG2 ARG 116 10.474 -4.513 -6.523 932 HG3 ARG 116 HG3 ARG 116 11.436 -5.221 -5.244 933 HD2 ARG 116 HD2 ARG 116 12.750 -6.510 -6.755 934 HD3 ARG 116 HD3 ARG 116 11.647 -6.231 -8.083 935 HE ARG 116 HE ARG 116 12.627 -3.694 -7.411 936 HH11 ARG 116 HH11 ARG 116 13.548 -6.777 -8.931 937 HH12 ARG 116 HH12 ARG 116 14.271 -6.044 -10.311 938 HH21 ARG 116 HH21 ARG 116 13.598 -2.720 -9.095 939 HH22 ARG 116 HH22 ARG 116 14.411 -3.579 -10.379 940 H SER 117 HN SER 117 7.572 -8.070 -5.812 941 HA SER 117 HA SER 117 8.247 -10.762 -6.372 942 HB2 SER 117 HB2 SER 117 5.866 -9.424 -5.067 943 HB3 SER 117 HB3 SER 117 5.907 -11.182 -5.305 944 HG SER 117 HG SER 117 7.739 -11.347 -4.156 945 H GLN 118 HN GLN 118 6.145 -8.662 -8.302 946 HA GLN 118 HA GLN 118 4.907 -10.915 -9.663 947 HB2 GLN 118 HB2 GLN 118 5.147 -7.993 -10.493 948 HB3 GLN 118 HB3 GLN 118 4.192 -9.216 -11.331 949 HG2 GLN 118 HG2 GLN 118 2.743 -9.534 -9.402 950 HG3 GLN 118 HG3 GLN 118 3.705 -8.409 -8.441 951 HE21 GLN 118 HE21 GLN 118 1.188 -8.642 -10.926 952 HE22 GLN 118 HE22 GLN 118 0.927 -6.877 -10.934 953 H GLN 119 HN GLN 119 8.107 -9.597 -9.936 954 HA GLN 119 HA GLN 119 8.358 -10.638 -12.695 955 HB2 GLN 119 HB2 GLN 119 9.981 -9.130 -13.108 956 HB3 GLN 119 HB3 GLN 119 8.760 -8.221 -12.282 957 HG2 GLN 119 HG2 GLN 119 10.483 -8.861 -10.215 958 HG3 GLN 119 HG3 GLN 119 11.598 -8.800 -11.542 959 HE21 GLN 119 HE21 GLN 119 8.851 -6.883 -10.188 960 HE22 GLN 119 HE22 GLN 119 9.706 -5.373 -10.216 961 H ASP 120 HN ASP 120 8.311 -12.123 -10.166 962 HA ASP 120 HA ASP 120 10.872 -13.405 -9.770 963 HB2 ASP 120 HB2 ASP 120 8.742 -13.305 -8.253 964 HB3 ASP 120 HB3 ASP 120 8.159 -14.629 -9.245 Start of MODEL 4 1 H1 MET 1 HN MET 1 -4.362 -10.519 -8.464 2 HA MET 1 HA MET 1 -5.070 -11.164 -11.201 3 HB2 MET 1 HB2 MET 1 -6.461 -9.174 -11.289 4 HB3 MET 1 HB3 MET 1 -6.890 -10.161 -9.892 5 HG2 MET 1 HG2 MET 1 -5.464 -8.652 -8.467 6 HG3 MET 1 HG3 MET 1 -5.210 -7.612 -9.867 7 HE1 MET 1 HE1 MET 1 -7.168 -6.227 -11.052 8 HE2 MET 1 HE2 MET 1 -8.229 -5.337 -9.927 9 HE3 MET 1 HE3 MET 1 -6.490 -5.291 -9.695 10 H GLY 2 HN GLY 2 -2.428 -10.082 -9.832 11 HA2 GLY 2 HA2 GLY 2 -0.496 -9.119 -10.601 12 HA3 GLY 2 HA1 GLY 2 -0.962 -9.983 -12.042 13 H ILE 3 HN ILE 3 -1.260 -6.846 -10.377 14 HA ILE 3 HA ILE 3 -2.042 -5.451 -12.839 15 HB ILE 3 HB ILE 3 -1.370 -4.161 -10.144 16 HG12 ILE 3 HG12 ILE 3 -4.002 -5.376 -11.011 17 HG13 ILE 3 HG13 ILE 3 -2.986 -5.985 -9.692 18 HG21 ILE 3 HG21 ILE 3 -2.766 -2.388 -10.854 19 HG22 ILE 3 HG22 ILE 3 -1.888 -2.751 -12.322 20 HG23 ILE 3 HG23 ILE 3 -3.520 -3.358 -12.143 21 HD11 ILE 3 HD11 ILE 3 -3.231 -3.737 -8.545 22 HD12 ILE 3 HD12 ILE 3 -4.547 -3.397 -9.703 23 HD13 ILE 3 HD13 ILE 3 -4.664 -4.782 -8.617 24 H THR 4 HN THR 4 -0.802 -3.686 -13.704 25 HA THR 4 HA THR 4 2.147 -3.683 -13.400 26 HB THR 4 HB THR 4 0.150 -1.821 -14.761 27 HG1 THR 4 HG1 THR 4 0.459 -3.084 -16.378 28 HG21 THR 4 HG21 THR 4 2.146 -0.491 -14.212 29 HG22 THR 4 HG22 THR 4 2.050 -0.810 -15.936 30 HG23 THR 4 HG23 THR 4 3.193 -1.728 -14.936 31 H ILE 5 HN ILE 5 3.277 -2.162 -12.013 32 HA ILE 5 HA ILE 5 1.655 -0.051 -10.712 33 HB ILE 5 HB ILE 5 3.816 -1.755 -9.495 34 HG12 ILE 5 HG12 ILE 5 1.631 -2.983 -9.789 35 HG13 ILE 5 HG13 ILE 5 2.337 -2.957 -8.216 36 HG21 ILE 5 HG21 ILE 5 3.908 0.435 -8.532 37 HG22 ILE 5 HG22 ILE 5 2.152 0.466 -8.279 38 HG23 ILE 5 HG23 ILE 5 3.171 -0.670 -7.356 39 HD11 ILE 5 HD11 ILE 5 -0.140 -2.675 -8.214 40 HD12 ILE 5 HD12 ILE 5 0.671 -1.293 -7.460 41 HD13 ILE 5 HD13 ILE 5 0.047 -1.153 -9.124 42 H THR 6 HN THR 6 2.555 1.895 -11.055 43 HA THR 6 HA THR 6 5.271 2.021 -12.269 44 HB THR 6 HB THR 6 4.213 4.312 -12.992 45 HG1 THR 6 HG1 THR 6 2.182 4.494 -12.971 46 HG21 THR 6 HG21 THR 6 3.277 3.185 -15.024 47 HG22 THR 6 HG22 THR 6 3.354 1.617 -14.175 48 HG23 THR 6 HG23 THR 6 4.845 2.528 -14.547 49 H ASP 7 HN ASP 7 6.896 3.205 -11.298 50 HA ASP 7 HA ASP 7 6.664 4.024 -8.649 51 HB2 ASP 7 HB2 ASP 7 8.581 4.900 -10.838 52 HB3 ASP 7 HB3 ASP 7 8.723 5.512 -9.187 53 H GLU 8 HN GLU 8 6.000 5.807 -11.608 54 HA GLU 8 HA GLU 8 6.041 8.448 -10.519 55 HB2 GLU 8 HB2 GLU 8 4.702 7.184 -12.916 56 HB3 GLU 8 HB3 GLU 8 4.629 8.918 -12.551 57 HG2 GLU 8 HG2 GLU 8 7.200 7.321 -12.969 58 HG3 GLU 8 HG3 GLU 8 6.410 8.358 -14.151 59 H LEU 9 HN LEU 9 3.431 5.935 -10.741 60 HA LEU 9 HA LEU 9 1.259 7.642 -9.962 61 HB2 LEU 9 HB2 LEU 9 0.952 5.665 -11.357 62 HB3 LEU 9 HB3 LEU 9 1.834 4.667 -10.212 63 HG LEU 9 HG LEU 9 0.231 4.941 -8.551 64 HD11 LEU 9 HD11 LEU 9 -0.798 7.114 -8.895 65 HD12 LEU 9 HD12 LEU 9 -2.079 5.921 -9.068 66 HD13 LEU 9 HD13 LEU 9 -1.359 6.647 -10.515 67 HD21 LEU 9 HD21 LEU 9 -1.604 3.620 -9.659 68 HD22 LEU 9 HD22 LEU 9 0.022 3.098 -10.159 69 HD23 LEU 9 HD23 LEU 9 -0.956 4.109 -11.237 70 H LEU 10 HN LEU 10 3.523 5.304 -8.425 71 HA LEU 10 HA LEU 10 2.284 5.539 -5.862 72 HB2 LEU 10 HB2 LEU 10 5.039 4.618 -6.671 73 HB3 LEU 10 HB3 LEU 10 4.362 4.422 -5.057 74 HG LEU 10 HG LEU 10 3.447 3.086 -7.640 75 HD11 LEU 10 HD11 LEU 10 4.512 2.139 -4.962 76 HD12 LEU 10 HD12 LEU 10 5.303 2.075 -6.560 77 HD13 LEU 10 HD13 LEU 10 3.916 1.063 -6.232 78 HD21 LEU 10 HD21 LEU 10 1.700 1.950 -6.234 79 HD22 LEU 10 HD22 LEU 10 1.366 3.639 -6.604 80 HD23 LEU 10 HD23 LEU 10 1.993 3.215 -5.002 81 H TRP 11 HN TRP 11 5.094 7.290 -7.259 82 HA TRP 11 HA TRP 11 5.782 8.816 -5.035 83 HB2 TRP 11 HB2 TRP 11 5.936 9.164 -7.991 84 HB3 TRP 11 HB3 TRP 11 5.950 10.648 -7.073 85 HD1 TRP 11 HD1 TRP 11 8.236 7.831 -8.058 86 HE1 TRP 11 HE1 TRP 11 10.561 8.334 -7.240 87 HE3 TRP 11 HE3 TRP 11 7.096 11.418 -4.582 88 HZ2 TRP 11 HZ2 TRP 11 11.806 9.931 -5.114 89 HZ3 TRP 11 HZ3 TRP 11 8.876 12.248 -3.023 90 HH2 TRP 11 HH2 TRP 11 11.205 11.518 -3.302 91 H ALA 12 HN ALA 12 2.739 9.099 -6.930 92 HA ALA 12 HA ALA 12 2.095 11.741 -6.125 93 HB1 ALA 12 HB1 ALA 12 -0.204 11.160 -6.712 94 HB2 ALA 12 HB2 ALA 12 0.918 10.515 -7.928 95 HB3 ALA 12 HB3 ALA 12 0.188 9.442 -6.710 96 H ILE 13 HN ILE 13 1.752 8.632 -4.372 97 HA ILE 13 HA ILE 13 0.110 9.659 -2.246 98 HB ILE 13 HB ILE 13 2.118 7.345 -2.303 99 HG12 ILE 13 HG12 ILE 13 -0.281 6.150 -2.085 100 HG13 ILE 13 HG13 ILE 13 -0.833 7.607 -2.873 101 HG21 ILE 13 HG21 ILE 13 1.785 8.082 -0.003 102 HG22 ILE 13 HG22 ILE 13 0.022 8.099 -0.235 103 HG23 ILE 13 HG23 ILE 13 0.929 6.563 -0.259 104 HD11 ILE 13 HD11 ILE 13 -0.412 5.724 -4.430 105 HD12 ILE 13 HD12 ILE 13 0.644 7.089 -4.816 106 HD13 ILE 13 HD13 ILE 13 1.277 5.679 -3.914 107 H LEU 14 HN LEU 14 3.627 9.558 -2.889 108 HA LEU 14 HA LEU 14 4.359 10.480 -0.278 109 HB2 LEU 14 HB2 LEU 14 5.995 10.631 -2.821 110 HB3 LEU 14 HB3 LEU 14 6.596 10.806 -1.181 111 HG LEU 14 HG LEU 14 5.416 8.297 -2.440 112 HD11 LEU 14 HD11 LEU 14 8.223 8.891 -1.426 113 HD12 LEU 14 HD12 LEU 14 7.722 8.828 -3.127 114 HD13 LEU 14 HD13 LEU 14 7.658 7.364 -2.142 115 HD21 LEU 14 HD21 LEU 14 4.731 8.262 -0.125 116 HD22 LEU 14 HD22 LEU 14 6.362 8.765 0.424 117 HD23 LEU 14 HD23 LEU 14 6.094 7.169 -0.299 118 H LYS 15 HN LYS 15 3.879 12.114 -3.412 119 HA LYS 15 HA LYS 15 4.402 14.775 -2.420 120 HB2 LYS 15 HB2 LYS 15 2.657 13.959 -4.782 121 HB3 LYS 15 HB3 LYS 15 3.341 15.562 -4.477 122 HG2 LYS 15 HG2 LYS 15 4.806 13.034 -5.318 123 HG3 LYS 15 HG3 LYS 15 4.600 14.543 -6.192 124 HD2 LYS 15 HD2 LYS 15 6.072 15.693 -4.503 125 HD3 LYS 15 HD3 LYS 15 6.284 14.132 -3.687 126 HE2 LYS 15 HE2 LYS 15 8.206 14.346 -5.043 127 HE3 LYS 15 HE3 LYS 15 7.159 13.185 -5.876 128 HZ1 LYS 15 HZ1 LYS 15 7.596 16.014 -6.595 129 HZ2 LYS 15 HZ2 LYS 15 6.431 15.066 -7.310 130 HZ3 LYS 15 HZ3 LYS 15 7.994 14.680 -7.462 131 H ASP 16 HN ASP 16 1.783 12.663 -1.811 132 HA ASP 16 HA ASP 16 0.001 12.831 -0.582 133 HB2 ASP 16 HB2 ASP 16 1.463 14.397 0.754 134 HB3 ASP 16 HB3 ASP 16 0.529 15.718 0.060 135 H GLU 17 HN GLU 17 -0.189 13.105 -3.359 136 HA GLU 17 HA GLU 17 -2.260 15.071 -3.990 137 HB2 GLU 17 HB2 GLU 17 -0.564 15.006 -5.574 138 HB3 GLU 17 HB3 GLU 17 -0.245 13.287 -5.364 139 HG2 GLU 17 HG2 GLU 17 -2.285 12.706 -6.531 140 HG3 GLU 17 HG3 GLU 17 -2.622 14.425 -6.846 141 H LEU 18 HN LEU 18 -1.849 11.645 -3.246 142 HA LEU 18 HA LEU 18 -4.411 10.765 -4.333 143 HB2 LEU 18 HB2 LEU 18 -2.300 9.652 -2.527 144 HB3 LEU 18 HB3 LEU 18 -3.908 9.127 -2.165 145 HG LEU 18 HG LEU 18 -2.866 7.560 -3.498 146 HD11 LEU 18 HD11 LEU 18 -5.225 7.870 -3.675 147 HD12 LEU 18 HD12 LEU 18 -4.519 6.921 -4.960 148 HD13 LEU 18 HD13 LEU 18 -5.005 8.634 -5.255 149 HD21 LEU 18 HD21 LEU 18 -2.701 9.584 -5.775 150 HD22 LEU 18 HD22 LEU 18 -2.183 7.892 -5.851 151 HD23 LEU 18 HD23 LEU 18 -1.313 9.038 -4.808 152 H SER 19 HN SER 19 -6.119 10.065 -2.921 153 HA SER 19 HA SER 19 -6.522 11.894 -0.563 154 HB2 SER 19 HB2 SER 19 -8.793 10.575 -2.077 155 HB3 SER 19 HB3 SER 19 -8.907 11.688 -0.708 156 HG SER 19 HG SER 19 -8.107 12.136 -3.335 157 H ASP 20 HN ASP 20 -8.487 10.488 0.798 158 HA ASP 20 HA ASP 20 -6.792 8.721 2.275 159 HB2 ASP 20 HB2 ASP 20 -8.984 8.485 3.644 160 HB3 ASP 20 HB3 ASP 20 -8.194 10.063 3.581 161 H ALA 21 HN ALA 21 -10.148 8.013 1.186 162 HA ALA 21 HA ALA 21 -9.828 5.255 1.037 163 HB1 ALA 21 HB1 ALA 21 -11.879 5.270 -0.304 164 HB2 ALA 21 HB2 ALA 21 -12.008 6.474 0.983 165 HB3 ALA 21 HB3 ALA 21 -11.654 6.985 -0.685 166 H GLU 22 HN GLU 22 -8.786 7.657 -1.292 167 HA GLU 22 HA GLU 22 -8.506 5.851 -3.569 168 HB2 GLU 22 HB2 GLU 22 -7.243 8.557 -3.030 169 HB3 GLU 22 HB3 GLU 22 -7.270 7.690 -4.569 170 HG2 GLU 22 HG2 GLU 22 -9.747 7.896 -4.595 171 HG3 GLU 22 HG3 GLU 22 -9.652 8.901 -3.148 172 H ALA 23 HN ALA 23 -6.218 7.205 -1.060 173 HA ALA 23 HA ALA 23 -3.925 5.887 -2.183 174 HB1 ALA 23 HB1 ALA 23 -4.479 6.747 0.698 175 HB2 ALA 23 HB2 ALA 23 -2.902 6.216 0.061 176 HB3 ALA 23 HB3 ALA 23 -3.632 7.709 -0.542 177 H ASN 24 HN ASN 24 -6.400 4.999 0.141 178 HA ASN 24 HA ASN 24 -5.299 2.441 0.926 179 HB2 ASN 24 HB2 ASN 24 -8.098 3.628 1.039 180 HB3 ASN 24 HB3 ASN 24 -7.695 2.007 1.558 181 HD21 ASN 24 HD21 ASN 24 -8.722 4.355 3.201 182 HD22 ASN 24 HD22 ASN 24 -7.582 4.435 4.514 183 H ALA 25 HN ALA 25 -7.629 3.529 -1.630 184 HA ALA 25 HA ALA 25 -8.316 1.084 -2.678 185 HB1 ALA 25 HB1 ALA 25 -9.286 3.240 -3.444 186 HB2 ALA 25 HB2 ALA 25 -7.800 3.560 -4.362 187 HB3 ALA 25 HB3 ALA 25 -8.786 2.162 -4.775 188 H LEU 26 HN LEU 26 -5.453 3.104 -3.905 189 HA LEU 26 HA LEU 26 -4.697 1.170 -5.803 190 HB2 LEU 26 HB2 LEU 26 -3.060 3.115 -4.094 191 HB3 LEU 26 HB3 LEU 26 -2.365 2.145 -5.388 192 HG LEU 26 HG LEU 26 -4.615 4.132 -5.887 193 HD11 LEU 26 HD11 LEU 26 -2.623 5.287 -5.037 194 HD12 LEU 26 HD12 LEU 26 -2.872 5.618 -6.753 195 HD13 LEU 26 HD13 LEU 26 -1.603 4.472 -6.251 196 HD21 LEU 26 HD21 LEU 26 -3.682 3.870 -8.255 197 HD22 LEU 26 HD22 LEU 26 -4.438 2.406 -7.629 198 HD23 LEU 26 HD23 LEU 26 -2.657 2.560 -7.643 199 H VAL 27 HN VAL 27 -4.166 1.029 -2.284 200 HA VAL 27 HA VAL 27 -2.369 -1.279 -2.507 201 HB VAL 27 HB VAL 27 -3.925 -0.168 -0.121 202 HG11 VAL 27 HG11 VAL 27 -2.183 -1.595 1.132 203 HG12 VAL 27 HG12 VAL 27 -3.529 -2.457 0.373 204 HG13 VAL 27 HG13 VAL 27 -1.930 -2.428 -0.395 205 HG21 VAL 27 HG21 VAL 27 -0.965 0.021 -0.817 206 HG22 VAL 27 HG22 VAL 27 -2.140 1.356 -0.949 207 HG23 VAL 27 HG23 VAL 27 -1.753 0.660 0.632 208 H TRP 28 HN TRP 28 -5.853 -0.747 -1.718 209 HA TRP 28 HA TRP 28 -6.519 -3.414 -1.299 210 HB2 TRP 28 HB2 TRP 28 -8.240 -1.147 -2.326 211 HB3 TRP 28 HB3 TRP 28 -8.845 -2.658 -1.686 212 HD1 TRP 28 HD1 TRP 28 -6.272 -2.213 0.686 213 HE1 TRP 28 HE1 TRP 28 -6.980 -0.862 2.762 214 HE3 TRP 28 HE3 TRP 28 -10.453 0.119 -1.170 215 HZ2 TRP 28 HZ2 TRP 28 -9.263 0.588 3.644 216 HZ3 TRP 28 HZ3 TRP 28 -11.805 1.582 0.320 217 HH2 TRP 28 HH2 TRP 28 -11.264 1.775 2.721 218 H GLN 29 HN GLN 29 -6.513 -1.642 -4.423 219 HA GLN 29 HA GLN 29 -7.622 -3.734 -5.985 220 HB2 GLN 29 HB2 GLN 29 -6.434 -2.667 -7.908 221 HB3 GLN 29 HB3 GLN 29 -7.442 -1.582 -6.967 222 HG2 GLN 29 HG2 GLN 29 -5.512 -0.608 -6.068 223 HG3 GLN 29 HG3 GLN 29 -4.424 -1.818 -6.716 224 HE21 GLN 29 HE21 GLN 29 -7.034 0.203 -8.219 225 HE22 GLN 29 HE22 GLN 29 -5.974 0.869 -9.439 226 H ALA 30 HN ALA 30 -4.254 -3.138 -4.981 227 HA ALA 30 HA ALA 30 -3.121 -5.177 -6.639 228 HB1 ALA 30 HB1 ALA 30 -2.045 -3.945 -4.076 229 HB2 ALA 30 HB2 ALA 30 -1.128 -4.916 -5.247 230 HB3 ALA 30 HB3 ALA 30 -1.784 -3.330 -5.727 231 H LEU 31 HN LEU 31 -4.295 -5.264 -3.215 232 HA LEU 31 HA LEU 31 -3.674 -8.089 -2.874 233 HB2 LEU 31 HB2 LEU 31 -5.850 -6.419 -1.578 234 HB3 LEU 31 HB3 LEU 31 -5.482 -8.078 -1.217 235 HG LEU 31 HG LEU 31 -4.351 -7.118 0.514 236 HD11 LEU 31 HD11 LEU 31 -2.819 -8.502 -0.645 237 HD12 LEU 31 HD12 LEU 31 -2.068 -7.182 0.261 238 HD13 LEU 31 HD13 LEU 31 -2.210 -7.083 -1.510 239 HD21 LEU 31 HD21 LEU 31 -3.197 -4.821 -0.999 240 HD22 LEU 31 HD22 LEU 31 -3.610 -4.994 0.724 241 HD23 LEU 31 HD23 LEU 31 -4.884 -4.751 -0.447 242 H GLY 32 HN GLY 32 -6.563 -6.260 -3.901 243 HA2 GLY 32 HA2 GLY 32 -7.688 -7.001 -5.935 244 HA3 GLY 32 HA1 GLY 32 -7.531 -8.665 -5.373 245 H TYR 33 HN TYR 33 -8.402 -6.063 -3.056 246 HA TYR 33 HA TYR 33 -10.555 -7.614 -2.094 247 HB2 TYR 33 HB2 TYR 33 -9.884 -4.706 -1.636 248 HB3 TYR 33 HB3 TYR 33 -11.296 -5.474 -0.932 249 HD1 TYR 33 HD1 TYR 33 -11.125 -7.203 0.834 250 HD2 TYR 33 HD2 TYR 33 -7.651 -5.250 -0.804 251 HE1 TYR 33 HE1 TYR 33 -9.820 -7.961 2.774 252 HE2 TYR 33 HE2 TYR 33 -6.297 -6.062 1.112 253 HH TYR 33 HH TYR 33 -7.424 -8.353 3.453 254 H VAL 34 HN VAL 34 -10.851 -4.498 -3.932 255 HA VAL 34 HA VAL 34 -12.484 -3.471 -4.955 256 HB VAL 34 HB VAL 34 -13.076 -6.283 -5.790 257 HG11 VAL 34 HG11 VAL 34 -13.904 -5.364 -7.905 258 HG12 VAL 34 HG12 VAL 34 -14.872 -4.828 -6.534 259 HG13 VAL 34 HG13 VAL 34 -13.674 -3.718 -7.257 260 HG21 VAL 34 HG21 VAL 34 -11.072 -4.339 -6.919 261 HG22 VAL 34 HG22 VAL 34 -10.781 -5.950 -6.183 262 HG23 VAL 34 HG23 VAL 34 -11.597 -5.831 -7.737 263 H TRP 35 HN TRP 35 -14.326 -2.510 -4.358 264 HA TRP 35 HA TRP 35 -16.265 -3.763 -2.574 265 HB2 TRP 35 HB2 TRP 35 -15.843 -1.417 -2.362 266 HB3 TRP 35 HB3 TRP 35 -16.126 -1.130 -4.079 267 HD1 TRP 35 HD1 TRP 35 -18.582 -0.986 -4.932 268 HE1 TRP 35 HE1 TRP 35 -20.830 -0.641 -3.800 269 HE3 TRP 35 HE3 TRP 35 -17.168 -2.002 -0.124 270 HZ2 TRP 35 HZ2 TRP 35 -21.948 -0.999 -1.110 271 HZ3 TRP 35 HZ3 TRP 35 -18.832 -1.915 1.717 272 HH2 TRP 35 HH2 TRP 35 -21.203 -1.414 1.235 273 H ASP 36 HN ASP 36 -17.593 -5.281 -3.371 274 HA ASP 36 HA ASP 36 -18.371 -5.370 -6.214 275 HB2 ASP 36 HB2 ASP 36 -17.723 -7.362 -4.557 276 HB3 ASP 36 HB3 ASP 36 -19.402 -7.277 -4.094 277 H GLU 37 HN GLU 37 -19.898 -3.776 -6.578 278 HA GLU 37 HA GLU 37 -21.384 -2.604 -4.417 279 HB2 GLU 37 HB2 GLU 37 -20.537 -1.358 -6.399 280 HB3 GLU 37 HB3 GLU 37 -21.651 -2.256 -7.427 281 HG2 GLU 37 HG2 GLU 37 -23.583 -1.266 -6.202 282 HG3 GLU 37 HG3 GLU 37 -22.451 -0.369 -5.181 283 H ALA 38 HN ALA 38 -22.131 -5.154 -6.683 284 HA ALA 38 HA ALA 38 -24.999 -5.092 -6.383 285 HB1 ALA 38 HB1 ALA 38 -24.919 -7.406 -7.194 286 HB2 ALA 38 HB2 ALA 38 -23.841 -6.393 -8.168 287 HB3 ALA 38 HB3 ALA 38 -23.165 -7.477 -6.935 288 H GLN 39 HN GLN 39 -22.349 -6.720 -4.616 289 HA GLN 39 HA GLN 39 -24.286 -7.974 -2.784 290 HB2 GLN 39 HB2 GLN 39 -21.271 -8.294 -3.037 291 HB3 GLN 39 HB3 GLN 39 -22.302 -9.147 -1.876 292 HG2 GLN 39 HG2 GLN 39 -23.615 -10.146 -3.705 293 HG3 GLN 39 HG3 GLN 39 -22.590 -9.314 -4.861 294 HE21 GLN 39 HE21 GLN 39 -21.274 -10.803 -5.847 295 HE22 GLN 39 HE22 GLN 39 -20.197 -11.796 -4.894 296 H SER 40 HN SER 40 -22.466 -5.126 -3.066 297 HA SER 40 HA SER 40 -21.982 -3.439 -1.895 298 HB2 SER 40 HB2 SER 40 -23.941 -4.322 0.257 299 HB3 SER 40 HB3 SER 40 -23.368 -2.690 -0.107 300 HG SER 40 HG SER 40 -25.200 -4.328 -1.477 301 H CYS 41 HN CYS 41 -20.250 -5.664 -1.671 302 HA CYS 41 HA CYS 41 -19.018 -4.992 0.856 303 HB2 CYS 41 HB2 CYS 41 -20.687 -7.066 1.188 304 HB3 CYS 41 HB3 CYS 41 -19.320 -7.967 0.534 305 HG CYS 41 HG CYS 41 -19.114 -8.221 3.042 306 H TRP 42 HN TRP 42 -17.060 -6.192 1.162 307 HA TRP 42 HA TRP 42 -15.346 -5.636 -1.119 308 HB2 TRP 42 HB2 TRP 42 -14.818 -6.576 1.741 309 HB3 TRP 42 HB3 TRP 42 -13.572 -6.086 0.601 310 HD1 TRP 42 HD1 TRP 42 -15.832 -4.668 3.207 311 HE1 TRP 42 HE1 TRP 42 -15.685 -2.097 3.240 312 HE3 TRP 42 HE3 TRP 42 -13.521 -3.956 -1.291 313 HZ2 TRP 42 HZ2 TRP 42 -14.491 -0.039 1.615 314 HZ3 TRP 42 HZ3 TRP 42 -12.928 -1.659 -2.058 315 HH2 TRP 42 HH2 TRP 42 -13.436 0.300 -0.627 316 H LYS 43 HN LYS 43 -14.776 -7.256 -2.704 317 HA LYS 43 HA LYS 43 -15.393 -9.996 -2.207 318 HB2 LYS 43 HB2 LYS 43 -14.247 -8.265 -4.329 319 HB3 LYS 43 HB3 LYS 43 -13.506 -9.884 -4.247 320 HG2 LYS 43 HG2 LYS 43 -15.763 -10.788 -4.321 321 HG3 LYS 43 HG3 LYS 43 -16.442 -9.162 -4.501 322 HD2 LYS 43 HD2 LYS 43 -14.352 -10.311 -6.384 323 HD3 LYS 43 HD3 LYS 43 -16.086 -10.484 -6.682 324 HE2 LYS 43 HE2 LYS 43 -16.406 -8.283 -7.206 325 HE3 LYS 43 HE3 LYS 43 -15.137 -7.703 -6.122 326 HZ1 LYS 43 HZ1 LYS 43 -14.505 -9.228 -8.550 327 HZ2 LYS 43 HZ2 LYS 43 -13.493 -8.333 -7.613 328 HZ3 LYS 43 HZ3 LYS 43 -14.644 -7.572 -8.568 329 H THR 44 HN THR 44 -13.981 -11.682 -1.773 330 HA THR 44 HA THR 44 -11.158 -11.020 -1.103 331 HB THR 44 HB THR 44 -11.434 -12.798 0.669 332 HG1 THR 44 HG1 THR 44 -13.273 -13.713 0.837 333 HG21 THR 44 HG21 THR 44 -13.163 -10.296 1.042 334 HG22 THR 44 HG22 THR 44 -11.399 -10.365 1.257 335 HG23 THR 44 HG23 THR 44 -12.467 -11.303 2.325 336 H ASP 45 HN ASP 45 -12.814 -12.251 -3.506 337 HA ASP 45 HA ASP 45 -11.974 -14.994 -3.785 338 HB2 ASP 45 HB2 ASP 45 -13.185 -12.832 -5.550 339 HB3 ASP 45 HB3 ASP 45 -12.401 -14.185 -6.318 340 H LEU 46 HN LEU 46 -10.891 -11.857 -5.107 341 HA LEU 46 HA LEU 46 -8.659 -13.117 -6.408 342 HB2 LEU 46 HB2 LEU 46 -9.377 -10.199 -6.107 343 HB3 LEU 46 HB3 LEU 46 -8.053 -10.792 -7.106 344 HG LEU 46 HG LEU 46 -11.012 -11.431 -7.509 345 HD11 LEU 46 HD11 LEU 46 -10.848 -10.084 -9.496 346 HD12 LEU 46 HD12 LEU 46 -9.120 -9.761 -9.196 347 HD13 LEU 46 HD13 LEU 46 -10.355 -9.105 -8.099 348 HD21 LEU 46 HD21 LEU 46 -10.055 -12.282 -9.778 349 HD22 LEU 46 HD22 LEU 46 -9.912 -13.315 -8.359 350 HD23 LEU 46 HD23 LEU 46 -8.502 -12.383 -8.935 351 H VAL 47 HN VAL 47 -9.060 -12.304 -3.209 352 HA VAL 47 HA VAL 47 -6.482 -10.987 -2.758 353 HB VAL 47 HB VAL 47 -8.786 -11.731 -0.901 354 HG11 VAL 47 HG11 VAL 47 -7.699 -10.090 0.680 355 HG12 VAL 47 HG12 VAL 47 -6.775 -11.568 0.431 356 HG13 VAL 47 HG13 VAL 47 -6.268 -10.079 -0.384 357 HG21 VAL 47 HG21 VAL 47 -7.987 -9.023 -2.068 358 HG22 VAL 47 HG22 VAL 47 -9.436 -9.953 -2.512 359 HG23 VAL 47 HG23 VAL 47 -9.279 -9.304 -0.887 360 H ALA 48 HN ALA 48 -4.829 -11.911 -1.532 361 HA ALA 48 HA ALA 48 -4.354 -14.717 -1.796 362 HB1 ALA 48 HB1 ALA 48 -2.652 -12.765 -1.591 363 HB2 ALA 48 HB2 ALA 48 -2.988 -12.835 0.150 364 HB3 ALA 48 HB3 ALA 48 -2.280 -14.225 -0.668 365 HA PRO 49 HA PRO 49 -6.367 -16.411 1.724 366 HB2 PRO 49 HB2 PRO 49 -4.564 -18.187 2.829 367 HB3 PRO 49 HB3 PRO 49 -5.496 -18.485 1.333 368 HG2 PRO 49 HG2 PRO 49 -2.639 -17.518 1.606 369 HG3 PRO 49 HG3 PRO 49 -3.308 -18.749 0.474 370 HD2 PRO 49 HD2 PRO 49 -2.826 -16.201 -0.292 371 HD3 PRO 49 HD3 PRO 49 -4.230 -17.074 -0.922 372 H GLU 50 HN GLU 50 -3.007 -15.214 2.515 373 HA GLU 50 HA GLU 50 -3.733 -14.952 5.275 374 HB2 GLU 50 HB2 GLU 50 -1.699 -13.956 5.614 375 HB3 GLU 50 HB3 GLU 50 -1.414 -15.153 4.371 376 HG2 GLU 50 HG2 GLU 50 -1.312 -13.423 2.647 377 HG3 GLU 50 HG3 GLU 50 -1.752 -12.175 3.815 378 H TRP 51 HN TRP 51 -4.223 -12.830 2.450 379 HA TRP 51 HA TRP 51 -4.694 -10.484 4.155 380 HB2 TRP 51 HB2 TRP 51 -4.638 -10.973 1.175 381 HB3 TRP 51 HB3 TRP 51 -5.238 -9.464 1.867 382 HD1 TRP 51 HD1 TRP 51 -2.093 -11.070 0.783 383 HE1 TRP 51 HE1 TRP 51 -0.084 -9.659 1.342 384 HE3 TRP 51 HE3 TRP 51 -4.407 -7.705 3.853 385 HZ2 TRP 51 HZ2 TRP 51 0.452 -7.151 2.817 386 HZ3 TRP 51 HZ3 TRP 51 -3.163 -5.781 4.722 387 HH2 TRP 51 HH2 TRP 51 -0.743 -5.477 4.215 388 H ARG 52 HN ARG 52 -6.603 -13.139 3.023 389 HA ARG 52 HA ARG 52 -9.034 -11.609 3.784 390 HB2 ARG 52 HB2 ARG 52 -10.310 -13.097 2.502 391 HB3 ARG 52 HB3 ARG 52 -8.986 -12.538 1.477 392 HG2 ARG 52 HG2 ARG 52 -7.791 -14.743 2.061 393 HG3 ARG 52 HG3 ARG 52 -9.305 -15.248 2.835 394 HD2 ARG 52 HD2 ARG 52 -10.464 -14.740 0.635 395 HD3 ARG 52 HD3 ARG 52 -8.852 -14.551 -0.097 396 HE ARG 52 HE ARG 52 -8.965 -17.008 1.302 397 HH11 ARG 52 HH11 ARG 52 -10.623 -15.543 -1.493 398 HH12 ARG 52 HH12 ARG 52 -11.236 -17.067 -2.081 399 HH21 ARG 52 HH21 ARG 52 -9.518 -19.017 0.353 400 HH22 ARG 52 HH22 ARG 52 -10.548 -19.089 -1.024 401 H GLN 53 HN GLN 53 -6.796 -13.607 5.123 402 HA GLN 53 HA GLN 53 -8.155 -15.757 6.098 403 HB2 GLN 53 HB2 GLN 53 -5.586 -14.639 6.318 404 HB3 GLN 53 HB3 GLN 53 -6.105 -14.718 7.992 405 HG2 GLN 53 HG2 GLN 53 -6.482 -17.049 7.820 406 HG3 GLN 53 HG3 GLN 53 -6.342 -17.045 6.043 407 HE21 GLN 53 HE21 GLN 53 -4.578 -18.456 5.767 408 HE22 GLN 53 HE22 GLN 53 -3.032 -18.242 6.567 409 H ASP 54 HN ASP 54 -7.943 -12.584 7.670 410 HA ASP 54 HA ASP 54 -10.153 -13.256 9.461 411 HB2 ASP 54 HB2 ASP 54 -7.310 -12.698 10.400 412 HB3 ASP 54 HB3 ASP 54 -8.706 -12.348 11.406 413 H TYR 55 HN TYR 55 -9.874 -11.497 7.256 414 HA TYR 55 HA TYR 55 -9.675 -8.703 8.301 415 HB2 TYR 55 HB2 TYR 55 -8.429 -9.903 5.832 416 HB3 TYR 55 HB3 TYR 55 -8.870 -8.209 5.884 417 HD1 TYR 55 HD2 TYR 55 -7.115 -10.570 8.285 418 HD2 TYR 55 HD1 TYR 55 -7.063 -6.788 6.206 419 HE1 TYR 55 HE2 TYR 55 -5.227 -9.912 9.604 420 HE2 TYR 55 HE1 TYR 55 -5.074 -6.116 7.521 421 HH TYR 55 HH TYR 55 -4.026 -8.032 10.302 422 HA PRO 56 HA PRO 56 -13.738 -9.556 6.201 423 HB2 PRO 56 HB2 PRO 56 -15.442 -8.409 8.046 424 HB3 PRO 56 HB3 PRO 56 -14.778 -10.061 8.242 425 HG2 PRO 56 HG2 PRO 56 -13.696 -7.484 9.429 426 HG3 PRO 56 HG3 PRO 56 -14.069 -9.018 10.282 427 HD2 PRO 56 HD2 PRO 56 -11.549 -8.441 9.469 428 HD3 PRO 56 HD3 PRO 56 -12.189 -10.100 9.315 429 H GLU 57 HN GLU 57 -12.117 -6.653 7.197 430 HA GLU 57 HA GLU 57 -13.512 -5.227 5.008 431 HB2 GLU 57 HB2 GLU 57 -12.904 -4.222 7.783 432 HB3 GLU 57 HB3 GLU 57 -12.517 -3.134 6.449 433 HG2 GLU 57 HG2 GLU 57 -14.809 -3.277 5.586 434 HG3 GLU 57 HG3 GLU 57 -15.242 -4.402 6.868 435 HA PRO 58 HA PRO 58 -9.367 -4.958 3.579 436 HB2 PRO 58 HB2 PRO 58 -9.351 -2.818 1.955 437 HB3 PRO 58 HB3 PRO 58 -10.366 -4.229 1.587 438 HG2 PRO 58 HG2 PRO 58 -11.235 -1.699 3.032 439 HG3 PRO 58 HG3 PRO 58 -11.963 -2.449 1.576 440 HD2 PRO 58 HD2 PRO 58 -12.895 -2.992 4.084 441 HD3 PRO 58 HD3 PRO 58 -12.784 -4.292 2.853 442 HA PRO 59 HA PRO 59 -7.457 -2.564 6.596 443 HB2 PRO 59 HB2 PRO 59 -4.902 -2.275 5.713 444 HB3 PRO 59 HB3 PRO 59 -5.654 -3.847 6.168 445 HG2 PRO 59 HG2 PRO 59 -5.307 -2.686 3.378 446 HG3 PRO 59 HG3 PRO 59 -4.908 -4.339 3.941 447 HD2 PRO 59 HD2 PRO 59 -7.258 -3.737 2.701 448 HD3 PRO 59 HD3 PRO 59 -7.176 -4.941 4.027 449 H ASP 60 HN ASP 60 -8.150 -0.516 7.007 450 HA ASP 60 HA ASP 60 -7.537 1.770 5.257 451 HB2 ASP 60 HB2 ASP 60 -9.562 1.639 6.833 452 HB3 ASP 60 HB3 ASP 60 -8.424 1.966 8.168 453 H PHE 61 HN PHE 61 -5.398 2.401 5.132 454 HA PHE 61 HA PHE 61 -3.549 1.771 7.350 455 HB2 PHE 61 HB2 PHE 61 -3.123 3.108 4.653 456 HB3 PHE 61 HB3 PHE 61 -1.844 2.747 5.799 457 HD1 PHE 61 HD2 PHE 61 -4.315 1.237 3.465 458 HD2 PHE 61 HD1 PHE 61 -0.954 0.488 6.070 459 HE1 PHE 61 HE2 PHE 61 -4.113 -1.018 2.547 460 HE2 PHE 61 HE1 PHE 61 -0.823 -1.847 5.199 461 HZ PHE 61 HZ PHE 61 -2.406 -2.601 3.436 462 H ILE 62 HN ILE 62 -5.671 4.360 6.774 463 HA ILE 62 HA ILE 62 -3.754 6.427 7.705 464 HB ILE 62 HB ILE 62 -6.442 6.622 6.289 465 HG12 ILE 62 HG12 ILE 62 -3.612 7.169 5.244 466 HG13 ILE 62 HG13 ILE 62 -4.546 5.714 4.893 467 HG21 ILE 62 HG21 ILE 62 -6.080 8.562 7.744 468 HG22 ILE 62 HG22 ILE 62 -4.456 8.822 7.042 469 HG23 ILE 62 HG23 ILE 62 -5.939 9.040 6.074 470 HD11 ILE 62 HD11 ILE 62 -5.250 8.517 4.009 471 HD12 ILE 62 HD12 ILE 62 -4.773 7.129 3.019 472 HD13 ILE 62 HD13 ILE 62 -6.330 7.104 3.862 473 H ALA 63 HN ALA 63 -6.934 4.954 8.365 474 HA ALA 63 HA ALA 63 -7.205 6.260 10.979 475 HB1 ALA 63 HB1 ALA 63 -9.197 5.470 9.780 476 HB2 ALA 63 HB2 ALA 63 -8.572 3.803 9.790 477 HB3 ALA 63 HB3 ALA 63 -9.000 4.598 11.317 478 H SER 64 HN SER 64 -6.221 2.948 9.788 479 HA SER 64 HA SER 64 -5.478 2.349 12.580 480 HB2 SER 64 HB2 SER 64 -7.572 1.394 11.398 481 HB3 SER 64 HB3 SER 64 -6.426 0.306 10.591 482 HG SER 64 HG SER 64 -7.480 -0.018 12.907 483 H ARG 65 HN ARG 65 -3.968 0.229 12.680 484 HA ARG 65 HA ARG 65 -2.304 0.076 10.323 485 HB2 ARG 65 HB2 ARG 65 -0.141 0.350 11.371 486 HB3 ARG 65 HB3 ARG 65 -1.134 1.780 11.413 487 HG2 ARG 65 HG2 ARG 65 -0.053 1.831 13.438 488 HG3 ARG 65 HG3 ARG 65 -1.638 1.209 13.875 489 HD2 ARG 65 HD2 ARG 65 -0.738 -1.053 14.028 490 HD3 ARG 65 HD3 ARG 65 0.824 -0.523 13.351 491 HE ARG 65 HE ARG 65 -0.024 0.768 15.832 492 HH11 ARG 65 HH11 ARG 65 2.051 -1.829 14.479 493 HH12 ARG 65 HH12 ARG 65 2.181 -2.666 15.996 494 HH21 ARG 65 HH21 ARG 65 0.422 -0.283 17.876 495 HH22 ARG 65 HH22 ARG 65 1.453 -1.661 17.949 496 HA PRO 66 HA PRO 66 -2.717 -4.072 12.426 497 HB2 PRO 66 HB2 PRO 66 -4.717 -5.270 10.986 498 HB3 PRO 66 HB3 PRO 66 -5.021 -4.298 12.456 499 HG2 PRO 66 HG2 PRO 66 -5.244 -3.408 9.553 500 HG3 PRO 66 HG3 PRO 66 -6.409 -3.152 10.873 501 HD2 PRO 66 HD2 PRO 66 -4.637 -1.215 10.206 502 HD3 PRO 66 HD3 PRO 66 -5.070 -1.547 11.911 503 H ALA 67 HN ALA 67 -3.397 -3.237 9.019 504 HA ALA 67 HA ALA 67 -2.101 -5.538 7.911 505 HB1 ALA 67 HB1 ALA 67 -2.861 -2.841 6.744 506 HB2 ALA 67 HB2 ALA 67 -2.077 -4.109 5.793 507 HB3 ALA 67 HB3 ALA 67 -3.644 -4.437 6.544 508 H THR 68 HN THR 68 -0.773 -2.547 9.161 509 HA THR 68 HA THR 68 1.592 -2.390 7.699 510 HB THR 68 HB THR 68 0.864 -1.695 10.561 511 HG1 THR 68 HG1 THR 68 -0.206 -0.691 8.710 512 HG21 THR 68 HG21 THR 68 3.298 -0.884 8.961 513 HG22 THR 68 HG22 THR 68 3.260 -1.722 10.528 514 HG23 THR 68 HG23 THR 68 2.713 -0.050 10.433 515 H VAL 69 HN VAL 69 0.817 -4.752 10.264 516 HA VAL 69 HA VAL 69 3.545 -5.780 10.464 517 HB VAL 69 HB VAL 69 0.893 -7.192 11.042 518 HG11 VAL 69 HG11 VAL 69 2.226 -8.562 12.589 519 HG12 VAL 69 HG12 VAL 69 2.860 -8.703 10.945 520 HG13 VAL 69 HG13 VAL 69 3.699 -7.677 12.135 521 HG21 VAL 69 HG21 VAL 69 0.864 -5.173 12.336 522 HG22 VAL 69 HG22 VAL 69 1.253 -6.504 13.419 523 HG23 VAL 69 HG23 VAL 69 2.552 -5.413 12.873 524 H LYS 70 HN LYS 70 0.592 -6.466 8.639 525 HA LYS 70 HA LYS 70 1.415 -8.868 7.448 526 HB2 LYS 70 HB2 LYS 70 -0.921 -7.773 7.901 527 HB3 LYS 70 HB3 LYS 70 -0.738 -7.062 6.308 528 HG2 LYS 70 HG2 LYS 70 -1.062 -9.084 5.238 529 HG3 LYS 70 HG3 LYS 70 -0.081 -9.947 6.398 530 HD2 LYS 70 HD2 LYS 70 -2.085 -9.606 8.075 531 HD3 LYS 70 HD3 LYS 70 -3.011 -9.208 6.615 532 HE2 LYS 70 HE2 LYS 70 -3.262 -11.555 7.228 533 HE3 LYS 70 HE3 LYS 70 -2.462 -11.411 5.661 534 HZ1 LYS 70 HZ1 LYS 70 -1.458 -13.044 7.260 535 HZ2 LYS 70 HZ2 LYS 70 -1.039 -11.827 8.214 536 HZ3 LYS 70 HZ3 LYS 70 -0.400 -11.940 6.642 537 H LEU 71 HN LEU 71 1.501 -5.518 6.301 538 HA LEU 71 HA LEU 71 2.449 -5.889 3.676 539 HB2 LEU 71 HB2 LEU 71 3.314 -3.746 5.676 540 HB3 LEU 71 HB3 LEU 71 3.594 -3.674 3.944 541 HG LEU 71 HG LEU 71 0.910 -3.555 5.241 542 HD11 LEU 71 HD11 LEU 71 2.723 -1.442 3.992 543 HD12 LEU 71 HD12 LEU 71 2.363 -1.630 5.726 544 HD13 LEU 71 HD13 LEU 71 1.093 -1.117 4.597 545 HD21 LEU 71 HD21 LEU 71 0.890 -4.385 2.844 546 HD22 LEU 71 HD22 LEU 71 1.426 -2.732 2.408 547 HD23 LEU 71 HD23 LEU 71 -0.096 -2.978 3.245 548 H THR 72 HN THR 72 4.245 -5.729 6.825 549 HA THR 72 HA THR 72 6.786 -5.663 5.601 550 HB THR 72 HB THR 72 5.725 -6.243 8.370 551 HG1 THR 72 HG1 THR 72 6.522 -4.136 8.639 552 HG21 THR 72 HG21 THR 72 8.032 -5.890 9.205 553 HG22 THR 72 HG22 THR 72 8.633 -5.968 7.522 554 HG23 THR 72 HG23 THR 72 7.853 -7.386 8.278 555 H ARG 73 HN ARG 73 4.693 -8.382 6.447 556 HA ARG 73 HA ARG 73 6.608 -10.438 6.167 557 HB2 ARG 73 HB2 ARG 73 3.825 -10.801 5.020 558 HB3 ARG 73 HB3 ARG 73 4.913 -11.978 5.737 559 HG2 ARG 73 HG2 ARG 73 4.536 -10.293 7.886 560 HG3 ARG 73 HG3 ARG 73 3.024 -10.076 7.018 561 HD2 ARG 73 HD2 ARG 73 4.185 -12.622 8.132 562 HD3 ARG 73 HD3 ARG 73 2.743 -11.779 8.691 563 HE ARG 73 HE ARG 73 2.191 -12.441 6.019 564 HH11 ARG 73 HH11 ARG 73 2.929 -14.283 8.989 565 HH12 ARG 73 HH12 ARG 73 1.936 -15.626 8.490 566 HH21 ARG 73 HH21 ARG 73 1.369 -14.424 5.261 567 HH22 ARG 73 HH22 ARG 73 0.979 -15.677 6.414 568 H SER 74 HN SER 74 4.615 -8.799 3.638 569 HA SER 74 HA SER 74 5.719 -10.066 1.374 570 HB2 SER 74 HB2 SER 74 4.574 -7.252 1.531 571 HB3 SER 74 HB3 SER 74 4.534 -8.368 0.167 572 HG SER 74 HG SER 74 2.720 -8.990 0.868 573 H ILE 75 HN ILE 75 7.376 -7.904 3.478 574 HA ILE 75 HA ILE 75 8.919 -6.669 1.263 575 HB ILE 75 HB ILE 75 8.494 -5.609 4.036 576 HG12 ILE 75 HG12 ILE 75 7.628 -4.437 1.338 577 HG13 ILE 75 HG13 ILE 75 6.565 -5.435 2.289 578 HG21 ILE 75 HG21 ILE 75 9.803 -3.660 3.251 579 HG22 ILE 75 HG22 ILE 75 10.786 -5.110 3.071 580 HG23 ILE 75 HG23 ILE 75 10.002 -4.409 1.652 581 HD11 ILE 75 HD11 ILE 75 7.741 -2.789 3.203 582 HD12 ILE 75 HD12 ILE 75 6.073 -3.114 2.723 583 HD13 ILE 75 HD13 ILE 75 6.715 -3.863 4.191 584 HA PRO 76 HA PRO 76 11.914 -9.743 3.094 585 HB2 PRO 76 HB2 PRO 76 13.138 -10.366 0.781 586 HB3 PRO 76 HB3 PRO 76 11.473 -10.957 1.066 587 HG2 PRO 76 HG2 PRO 76 12.163 -8.469 -0.445 588 HG3 PRO 76 HG3 PRO 76 11.247 -9.918 -1.009 589 HD2 PRO 76 HD2 PRO 76 9.906 -7.867 0.099 590 HD3 PRO 76 HD3 PRO 76 9.486 -9.536 0.562 591 H ALA 77 HN ALA 77 14.352 -9.507 2.908 592 HA ALA 77 HA ALA 77 15.239 -6.939 3.624 593 HB1 ALA 77 HB1 ALA 77 16.845 -9.350 2.701 594 HB2 ALA 77 HB2 ALA 77 17.500 -7.899 3.497 595 HB3 ALA 77 HB3 ALA 77 16.365 -8.949 4.360 596 HA PRO 78 HA PRO 78 17.040 -6.411 -0.810 597 HB2 PRO 78 HB2 PRO 78 15.815 -7.760 -2.921 598 HB3 PRO 78 HB3 PRO 78 17.266 -8.339 -2.048 599 HG2 PRO 78 HG2 PRO 78 14.356 -9.027 -1.471 600 HG3 PRO 78 HG3 PRO 78 15.718 -10.168 -1.689 601 HD2 PRO 78 HD2 PRO 78 15.068 -9.570 0.748 602 HD3 PRO 78 HD3 PRO 78 16.780 -9.450 0.312 603 H TYR 79 HN TYR 79 13.738 -6.350 0.170 604 HA TYR 79 HA TYR 79 13.158 -4.281 -1.875 605 HB2 TYR 79 HB2 TYR 79 11.282 -6.084 -0.384 606 HB3 TYR 79 HB3 TYR 79 10.782 -4.764 -1.420 607 HD1 TYR 79 HD1 TYR 79 13.144 -5.369 -3.522 608 HD2 TYR 79 HD2 TYR 79 9.949 -7.769 -1.829 609 HE1 TYR 79 HE1 TYR 79 13.147 -6.699 -5.434 610 HE2 TYR 79 HE2 TYR 79 10.005 -9.176 -3.778 611 HH TYR 79 HH TYR 79 12.547 -8.834 -6.290 612 H LYS 80 HN LYS 80 14.449 -4.287 0.962 613 HA LYS 80 HA LYS 80 12.588 -2.757 2.605 614 HB2 LYS 80 HB2 LYS 80 15.585 -3.262 2.774 615 HB3 LYS 80 HB3 LYS 80 14.746 -2.284 3.967 616 HG2 LYS 80 HG2 LYS 80 13.953 -5.161 3.338 617 HG3 LYS 80 HG3 LYS 80 15.100 -4.707 4.610 618 HD2 LYS 80 HD2 LYS 80 13.391 -3.259 5.624 619 HD3 LYS 80 HD3 LYS 80 12.206 -3.773 4.417 620 HE2 LYS 80 HE2 LYS 80 12.076 -5.963 5.244 621 HE3 LYS 80 HE3 LYS 80 13.632 -5.839 6.083 622 HZ1 LYS 80 HZ1 LYS 80 12.766 -4.412 7.650 623 HZ2 LYS 80 HZ2 LYS 80 11.646 -5.610 7.594 624 HZ3 LYS 80 HZ3 LYS 80 11.379 -4.118 6.882 625 H GLN 81 HN GLN 81 15.406 -1.801 0.584 626 HA GLN 81 HA GLN 81 15.008 0.977 1.494 627 HB2 GLN 81 HB2 GLN 81 17.250 -0.302 -0.133 628 HB3 GLN 81 HB3 GLN 81 17.169 1.372 0.413 629 HG2 GLN 81 HG2 GLN 81 16.951 0.458 2.799 630 HG3 GLN 81 HG3 GLN 81 17.418 -1.115 2.139 631 HE21 GLN 81 HE21 GLN 81 19.385 -0.861 3.675 632 HE22 GLN 81 HE22 GLN 81 20.663 0.186 3.147 633 H LEU 82 HN LEU 82 13.470 -0.663 -0.783 634 HA LEU 82 HA LEU 82 14.091 0.386 -3.269 635 HB2 LEU 82 HB2 LEU 82 11.314 -0.256 -2.261 636 HB3 LEU 82 HB3 LEU 82 11.790 -0.060 -3.955 637 HG LEU 82 HG LEU 82 12.720 -2.219 -2.087 638 HD11 LEU 82 HD11 LEU 82 10.863 -2.275 -4.508 639 HD12 LEU 82 HD12 LEU 82 10.384 -2.445 -2.803 640 HD13 LEU 82 HD13 LEU 82 11.363 -3.693 -3.583 641 HD21 LEU 82 HD21 LEU 82 13.729 -3.330 -4.001 642 HD22 LEU 82 HD22 LEU 82 14.514 -1.793 -3.682 643 HD23 LEU 82 HD23 LEU 82 13.364 -1.922 -5.037 644 H LEU 83 HN LEU 83 12.065 1.901 -0.765 645 HA LEU 83 HA LEU 83 11.094 4.091 -2.154 646 HB2 LEU 83 HB2 LEU 83 11.955 3.607 0.694 647 HB3 LEU 83 HB3 LEU 83 11.659 5.275 0.240 648 HG LEU 83 HG LEU 83 9.592 3.091 -0.189 649 HD11 LEU 83 HD11 LEU 83 8.528 3.959 1.871 650 HD12 LEU 83 HD12 LEU 83 9.896 5.091 2.107 651 HD13 LEU 83 HD13 LEU 83 10.144 3.341 2.208 652 HD21 LEU 83 HD21 LEU 83 9.271 5.071 -1.603 653 HD22 LEU 83 HD22 LEU 83 9.342 6.130 -0.193 654 HD23 LEU 83 HD23 LEU 83 8.012 4.955 -0.389 655 H LYS 84 HN LYS 84 14.472 3.482 -1.628 656 HA LYS 84 HA LYS 84 15.085 6.266 -2.500 657 HB2 LYS 84 HB2 LYS 84 15.800 5.858 -0.248 658 HB3 LYS 84 HB3 LYS 84 16.816 4.491 -0.749 659 HG2 LYS 84 HG2 LYS 84 18.439 5.874 -1.573 660 HG3 LYS 84 HG3 LYS 84 17.253 6.936 -2.318 661 HD2 LYS 84 HD2 LYS 84 16.891 7.744 0.231 662 HD3 LYS 84 HD3 LYS 84 18.555 7.150 0.380 663 HE2 LYS 84 HE2 LYS 84 17.457 9.210 -1.594 664 HE3 LYS 84 HE3 LYS 84 18.505 9.558 -0.219 665 HZ1 LYS 84 HZ1 LYS 84 19.444 9.409 -2.544 666 HZ2 LYS 84 HZ2 LYS 84 19.408 7.799 -2.424 667 HZ3 LYS 84 HZ3 LYS 84 20.331 8.712 -1.364 668 H GLU 85 HN GLU 85 15.853 2.821 -2.855 669 HA GLU 85 HA GLU 85 17.784 3.002 -4.913 670 HB2 GLU 85 HB2 GLU 85 15.565 0.906 -4.677 671 HB3 GLU 85 HB3 GLU 85 17.035 0.787 -5.638 672 HG2 GLU 85 HG2 GLU 85 18.336 1.062 -3.470 673 HG3 GLU 85 HG3 GLU 85 16.822 0.842 -2.609 674 H GLU 86 HN GLU 86 14.176 3.015 -5.167 675 HA GLU 86 HA GLU 86 14.328 3.066 -8.107 676 HB2 GLU 86 HB2 GLU 86 12.213 2.542 -6.002 677 HB3 GLU 86 HB3 GLU 86 11.892 2.449 -7.727 678 HG2 GLU 86 HG2 GLU 86 14.046 0.726 -6.432 679 HG3 GLU 86 HG3 GLU 86 12.356 0.268 -6.332 680 H LEU 87 HN LEU 87 13.799 5.129 -5.473 681 HA LEU 87 HA LEU 87 12.094 7.045 -7.016 682 HB2 LEU 87 HB2 LEU 87 11.846 6.050 -4.162 683 HB3 LEU 87 HB3 LEU 87 11.193 7.600 -4.649 684 HG LEU 87 HG LEU 87 10.012 6.232 -6.524 685 HD11 LEU 87 HD11 LEU 87 9.392 3.945 -5.346 686 HD12 LEU 87 HD12 LEU 87 11.078 4.059 -4.861 687 HD13 LEU 87 HD13 LEU 87 10.587 4.146 -6.601 688 HD21 LEU 87 HD21 LEU 87 8.884 7.338 -4.535 689 HD22 LEU 87 HD22 LEU 87 9.133 5.808 -3.654 690 HD23 LEU 87 HD23 LEU 87 8.081 5.841 -5.060 691 H GLY 88 HN GLY 88 13.927 6.948 -3.964 692 HA2 GLY 88 HA2 GLY 88 15.993 8.307 -3.724 693 HA3 GLY 88 HA1 GLY 88 15.208 9.563 -4.667 694 H PHE 89 HN PHE 89 13.115 7.881 -2.399 695 HA PHE 89 HA PHE 89 12.817 10.332 -0.820 696 HB2 PHE 89 HB2 PHE 89 10.865 9.150 -1.822 697 HB3 PHE 89 HB3 PHE 89 11.259 7.713 -0.906 698 HD1 PHE 89 HD1 PHE 89 9.972 11.188 -0.674 699 HD2 PHE 89 HD2 PHE 89 10.656 7.478 1.421 700 HE1 PHE 89 HE1 PHE 89 8.502 11.949 1.169 701 HE2 PHE 89 HE2 PHE 89 9.174 8.237 3.248 702 HZ PHE 89 HZ PHE 89 8.100 10.479 3.136 703 H ALA 90 HN ALA 90 12.664 10.060 1.569 704 HA ALA 90 HA ALA 90 13.650 7.562 2.721 705 HB1 ALA 90 HB1 ALA 90 15.292 8.590 4.197 706 HB2 ALA 90 HB2 ALA 90 15.742 8.927 2.508 707 HB3 ALA 90 HB3 ALA 90 14.964 10.180 3.497 708 H GLY 91 HN GLY 91 12.440 10.929 3.337 709 HA2 GLY 91 HA2 GLY 91 10.214 10.015 4.825 710 HA3 GLY 91 HA1 GLY 91 11.502 10.499 5.947 711 H TYR 92 HN TYR 92 9.155 11.904 5.988 712 HA TYR 92 HA TYR 92 9.454 14.374 4.467 713 HB2 TYR 92 HB2 TYR 92 7.645 13.591 6.790 714 HB3 TYR 92 HB3 TYR 92 7.522 15.074 5.879 715 HD1 TYR 92 HD1 TYR 92 7.098 15.008 3.377 716 HD2 TYR 92 HD2 TYR 92 6.695 11.523 5.905 717 HE1 TYR 92 HE1 TYR 92 5.725 13.922 1.641 718 HE2 TYR 92 HE2 TYR 92 5.339 10.425 4.177 719 HH TYR 92 HH TYR 92 4.456 12.114 1.106 720 H SER 93 HN SER 93 9.981 16.377 5.299 721 HA SER 93 HA SER 93 11.764 16.704 7.586 722 HB2 SER 93 HB2 SER 93 10.201 18.456 5.745 723 HB3 SER 93 HB3 SER 93 10.797 19.200 7.120 724 HG SER 93 HG SER 93 12.909 17.948 6.262 725 H ILE 94 HN ILE 94 11.145 18.314 9.202 726 HA ILE 94 HA ILE 94 8.996 17.253 10.822 727 HB ILE 94 HB ILE 94 10.922 17.991 11.974 728 HG12 ILE 94 HG12 ILE 94 9.912 19.556 13.657 729 HG13 ILE 94 HG13 ILE 94 8.529 19.798 12.615 730 HG21 ILE 94 HG21 ILE 94 11.627 19.813 10.435 731 HG22 ILE 94 HG22 ILE 94 10.350 20.848 11.122 732 HG23 ILE 94 HG23 ILE 94 11.670 20.257 12.154 733 HD11 ILE 94 HD11 ILE 94 8.059 18.165 14.380 734 HD12 ILE 94 HD12 ILE 94 8.016 17.342 12.810 735 HD13 ILE 94 HD13 ILE 94 9.444 17.189 13.868 736 H ASN 95 HN ASN 95 9.415 20.285 9.066 737 HA ASN 95 HA ASN 95 6.884 21.420 9.754 738 HB2 ASN 95 HB2 ASN 95 7.363 22.962 7.857 739 HB3 ASN 95 HB3 ASN 95 8.624 22.889 9.087 740 HD21 ASN 95 HD21 ASN 95 10.691 23.025 8.112 741 HD22 ASN 95 HD22 ASN 95 11.080 22.120 6.662 742 H GLU 96 HN GLU 96 7.407 18.731 7.971 743 HA GLU 96 HA GLU 96 4.833 18.996 6.598 744 HB2 GLU 96 HB2 GLU 96 5.700 17.502 4.773 745 HB3 GLU 96 HB3 GLU 96 6.137 19.236 4.864 746 HG2 GLU 96 HG2 GLU 96 8.147 18.898 5.645 747 HG3 GLU 96 HG3 GLU 96 7.953 17.162 5.931 748 H LEU 97 HN LEU 97 6.335 17.396 9.111 749 HA LEU 97 HA LEU 97 5.498 14.693 8.508 750 HB2 LEU 97 HB2 LEU 97 7.031 16.111 10.615 751 HB3 LEU 97 HB3 LEU 97 5.988 14.875 11.260 752 HG LEU 97 HG LEU 97 8.055 14.386 9.074 753 HD11 LEU 97 HD11 LEU 97 9.271 13.192 10.878 754 HD12 LEU 97 HD12 LEU 97 8.068 13.749 12.057 755 HD13 LEU 97 HD13 LEU 97 9.105 14.925 11.220 756 HD21 LEU 97 HD21 LEU 97 6.219 12.741 8.928 757 HD22 LEU 97 HD22 LEU 97 6.358 12.429 10.677 758 HD23 LEU 97 HD23 LEU 97 7.674 11.993 9.567 759 H VAL 98 HN VAL 98 3.352 14.250 8.476 760 HA VAL 98 HA VAL 98 1.668 15.231 10.716 761 HB VAL 98 HB VAL 98 -0.157 15.670 9.106 762 HG11 VAL 98 HG11 VAL 98 0.559 17.759 8.296 763 HG12 VAL 98 HG12 VAL 98 1.400 17.490 9.829 764 HG13 VAL 98 HG13 VAL 98 2.273 17.271 8.300 765 HG21 VAL 98 HG21 VAL 98 0.415 14.260 7.216 766 HG22 VAL 98 HG22 VAL 98 0.338 15.938 6.685 767 HG23 VAL 98 HG23 VAL 98 1.911 15.177 6.966 768 HA PRO 99 HA PRO 99 0.262 11.038 10.805 769 HB2 PRO 99 HB2 PRO 99 -2.422 11.235 11.408 770 HB3 PRO 99 HB3 PRO 99 -1.100 11.496 12.585 771 HG2 PRO 99 HG2 PRO 99 -2.625 13.576 11.002 772 HG3 PRO 99 HG3 PRO 99 -2.237 13.576 12.749 773 HD2 PRO 99 HD2 PRO 99 -0.737 14.975 11.015 774 HD3 PRO 99 HD3 PRO 99 0.030 14.094 12.352 775 H ARG 100 HN ARG 100 -1.193 13.332 8.517 776 HA ARG 100 HA ARG 100 -2.400 11.112 6.981 777 HB2 ARG 100 HB2 ARG 100 -2.157 14.088 6.431 778 HB3 ARG 100 HB3 ARG 100 -2.892 12.919 5.313 779 HG2 ARG 100 HG2 ARG 100 -4.533 12.235 6.945 780 HG3 ARG 100 HG3 ARG 100 -3.810 13.260 8.176 781 HD2 ARG 100 HD2 ARG 100 -4.296 15.094 6.161 782 HD3 ARG 100 HD3 ARG 100 -5.643 13.962 5.952 783 HE ARG 100 HE ARG 100 -4.964 14.952 8.664 784 HH11 ARG 100 HH11 ARG 100 -7.477 14.982 6.077 785 HH12 ARG 100 HH12 ARG 100 -8.346 16.269 6.882 786 HH21 ARG 100 HH21 ARG 100 -6.506 16.156 9.801 787 HH22 ARG 100 HH22 ARG 100 -7.831 16.923 8.974 788 H LYS 101 HN LYS 101 0.841 12.117 7.326 789 HA LYS 101 HA LYS 101 1.486 11.134 4.594 790 HB2 LYS 101 HB2 LYS 101 2.724 13.118 6.512 791 HB3 LYS 101 HB3 LYS 101 3.725 12.270 5.368 792 HG2 LYS 101 HG2 LYS 101 2.380 13.039 3.475 793 HG3 LYS 101 HG3 LYS 101 1.262 13.878 4.559 794 HD2 LYS 101 HD2 LYS 101 2.831 15.536 5.124 795 HD3 LYS 101 HD3 LYS 101 4.188 14.466 4.787 796 HE2 LYS 101 HE2 LYS 101 4.187 16.142 3.102 797 HE3 LYS 101 HE3 LYS 101 3.588 14.683 2.307 798 HZ1 LYS 101 HZ1 LYS 101 2.280 16.607 1.756 799 HZ2 LYS 101 HZ2 LYS 101 1.933 16.937 3.352 800 HZ3 LYS 101 HZ3 LYS 101 1.336 15.597 2.631 801 H THR 102 HN THR 102 2.568 10.909 8.083 802 HA THR 102 HA THR 102 4.520 8.957 7.774 803 HB THR 102 HB THR 102 3.804 8.357 10.173 804 HG1 THR 102 HG1 THR 102 2.127 9.621 11.043 805 HG21 THR 102 HG21 THR 102 4.161 11.329 9.575 806 HG22 THR 102 HG22 THR 102 5.468 10.133 9.689 807 HG23 THR 102 HG23 THR 102 4.485 10.514 11.118 808 H ARG 103 HN ARG 103 1.101 8.429 8.523 809 HA ARG 103 HA ARG 103 1.040 5.623 8.466 810 HB2 ARG 103 HB2 ARG 103 -0.940 7.859 8.058 811 HB3 ARG 103 HB3 ARG 103 -1.461 6.240 7.684 812 HG2 ARG 103 HG2 ARG 103 -1.463 5.543 9.859 813 HG3 ARG 103 HG3 ARG 103 -0.003 6.445 10.287 814 HD2 ARG 103 HD2 ARG 103 -1.165 8.460 10.643 815 HD3 ARG 103 HD3 ARG 103 -2.644 7.847 9.865 816 HE ARG 103 HE ARG 103 -1.806 6.257 12.135 817 HH11 ARG 103 HH11 ARG 103 -3.449 9.286 11.370 818 HH12 ARG 103 HH12 ARG 103 -4.507 9.242 12.748 819 HH21 ARG 103 HH21 ARG 103 -3.391 6.022 13.751 820 HH22 ARG 103 HH22 ARG 103 -4.502 7.302 14.104 821 H ARG 104 HN ARG 104 0.817 7.807 5.623 822 HA ARG 104 HA ARG 104 0.189 5.573 3.842 823 HB2 ARG 104 HB2 ARG 104 0.804 8.512 3.512 824 HB3 ARG 104 HB3 ARG 104 0.983 7.446 2.136 825 HG2 ARG 104 HG2 ARG 104 -1.207 7.300 1.743 826 HG3 ARG 104 HG3 ARG 104 -1.603 6.942 3.434 827 HD2 ARG 104 HD2 ARG 104 -1.712 9.188 4.039 828 HD3 ARG 104 HD3 ARG 104 -0.843 9.743 2.585 829 HE ARG 104 HE ARG 104 -3.224 8.540 1.711 830 HH11 ARG 104 HH11 ARG 104 -2.069 11.428 3.468 831 HH12 ARG 104 HH12 ARG 104 -3.232 12.473 2.705 832 HH21 ARG 104 HH21 ARG 104 -4.789 10.014 0.786 833 HH22 ARG 104 HH22 ARG 104 -4.628 11.701 1.170 834 H ALA 105 HN ALA 105 3.174 7.351 4.780 835 HA ALA 105 HA ALA 105 4.783 6.639 2.733 836 HB1 ALA 105 HB1 ALA 105 5.445 8.101 4.596 837 HB2 ALA 105 HB2 ALA 105 5.572 6.687 5.671 838 HB3 ALA 105 HB3 ALA 105 6.682 6.861 4.303 839 H THR 106 HN THR 106 4.098 4.537 5.496 840 HA THR 106 HA THR 106 5.760 2.323 4.882 841 HB THR 106 HB THR 106 3.121 2.760 6.307 842 HG1 THR 106 HG1 THR 106 5.150 3.390 7.296 843 HG21 THR 106 HG21 THR 106 3.266 0.490 7.246 844 HG22 THR 106 HG22 THR 106 4.516 0.086 6.027 845 HG23 THR 106 HG23 THR 106 2.863 0.549 5.538 846 H MET 107 HN MET 107 2.426 3.113 3.498 847 HA MET 107 HA MET 107 2.169 0.488 2.435 848 HB2 MET 107 HB2 MET 107 0.079 1.172 1.802 849 HB3 MET 107 HB3 MET 107 0.373 2.249 3.156 850 HG2 MET 107 HG2 MET 107 1.261 3.842 1.165 851 HG3 MET 107 HG3 MET 107 0.221 2.821 0.216 852 HE1 MET 107 HE1 MET 107 -3.308 3.747 2.094 853 HE2 MET 107 HE2 MET 107 -2.635 2.782 0.772 854 HE3 MET 107 HE3 MET 107 -2.225 2.379 2.450 855 H THR 108 HN THR 108 3.530 3.608 1.196 856 HA THR 108 HA THR 108 3.507 2.902 -1.527 857 HB THR 108 HB THR 108 5.655 4.571 -0.200 858 HG1 THR 108 HG1 THR 108 3.171 5.651 -0.909 859 HG21 THR 108 HG21 THR 108 5.405 5.941 -2.248 860 HG22 THR 108 HG22 THR 108 4.086 4.893 -2.807 861 HG23 THR 108 HG23 THR 108 5.744 4.260 -2.683 862 H ASN 109 HN ASN 109 5.968 2.154 1.010 863 HA ASN 109 HA ASN 109 7.769 1.066 -0.943 864 HB2 ASN 109 HB2 ASN 109 8.305 1.735 1.520 865 HB3 ASN 109 HB3 ASN 109 7.695 0.165 1.971 866 HD21 ASN 109 HD21 ASN 109 8.801 -1.781 0.592 867 HD22 ASN 109 HD22 ASN 109 10.529 -1.590 0.458 868 H TRP 110 HN TRP 110 4.980 -0.305 0.780 869 HA TRP 110 HA TRP 110 5.611 -3.079 0.137 870 HB2 TRP 110 HB2 TRP 110 4.064 -2.534 1.958 871 HB3 TRP 110 HB3 TRP 110 3.001 -1.698 0.848 872 HD1 TRP 110 HD1 TRP 110 3.833 -5.139 2.082 873 HE1 TRP 110 HE1 TRP 110 2.197 -6.878 1.100 874 HE3 TRP 110 HE3 TRP 110 1.378 -2.091 -1.085 875 HZ2 TRP 110 HZ2 TRP 110 -0.177 -6.794 -0.693 876 HZ3 TRP 110 HZ3 TRP 110 -0.554 -2.880 -2.434 877 HH2 TRP 110 HH2 TRP 110 -1.284 -5.245 -2.269 878 H LEU 111 HN LEU 111 3.919 -0.390 -1.522 879 HA LEU 111 HA LEU 111 2.589 -2.062 -3.464 880 HB2 LEU 111 HB2 LEU 111 3.253 0.899 -3.314 881 HB3 LEU 111 HB3 LEU 111 2.593 0.188 -4.778 882 HG LEU 111 HG LEU 111 1.045 -0.488 -2.356 883 HD11 LEU 111 HD11 LEU 111 1.551 1.825 -1.761 884 HD12 LEU 111 HD12 LEU 111 -0.136 1.652 -2.250 885 HD13 LEU 111 HD13 LEU 111 1.012 2.374 -3.353 886 HD21 LEU 111 HD21 LEU 111 0.167 0.699 -5.014 887 HD22 LEU 111 HD22 LEU 111 -0.830 -0.132 -3.814 888 HD23 LEU 111 HD23 LEU 111 0.383 -1.031 -4.734 889 H LEU 112 HN LEU 112 5.605 -0.178 -3.452 890 HA LEU 112 HA LEU 112 6.201 -1.030 -6.149 891 HB2 LEU 112 HB2 LEU 112 7.227 0.879 -6.238 892 HB3 LEU 112 HB3 LEU 112 6.524 1.182 -4.711 893 HG LEU 112 HG LEU 112 8.532 2.066 -4.591 894 HD11 LEU 112 HD11 LEU 112 7.722 0.494 -2.791 895 HD12 LEU 112 HD12 LEU 112 9.349 1.244 -2.678 896 HD13 LEU 112 HD13 LEU 112 9.152 -0.480 -3.172 897 HD21 LEU 112 HD21 LEU 112 10.592 1.181 -5.269 898 HD22 LEU 112 HD22 LEU 112 9.464 0.999 -6.601 899 HD23 LEU 112 HD23 LEU 112 9.890 -0.427 -5.635 900 H ALA 113 HN ALA 113 6.988 -2.305 -3.095 901 HA ALA 113 HA ALA 113 9.034 -4.274 -4.041 902 HB1 ALA 113 HB1 ALA 113 8.514 -5.362 -1.891 903 HB2 ALA 113 HB2 ALA 113 8.812 -3.618 -1.619 904 HB3 ALA 113 HB3 ALA 113 7.158 -4.263 -1.621 905 H TYR 114 HN TYR 114 5.403 -4.191 -3.739 906 HA TYR 114 HA TYR 114 5.107 -6.979 -4.078 907 HB2 TYR 114 HB2 TYR 114 3.257 -5.573 -3.330 908 HB3 TYR 114 HB3 TYR 114 3.263 -4.703 -4.859 909 HD1 TYR 114 HD2 TYR 114 3.053 -8.309 -3.699 910 HD2 TYR 114 HD1 TYR 114 1.597 -5.269 -6.401 911 HE1 TYR 114 HE2 TYR 114 1.395 -9.909 -4.611 912 HE2 TYR 114 HE1 TYR 114 -0.153 -6.808 -7.190 913 HH TYR 114 HH TYR 114 -1.046 -8.945 -7.094 914 H ARG 115 HN ARG 115 5.058 -4.345 -6.534 915 HA ARG 115 HA ARG 115 4.697 -6.011 -8.750 916 HB2 ARG 115 HB2 ARG 115 5.410 -4.283 -10.168 917 HB3 ARG 115 HB3 ARG 115 4.639 -3.537 -8.754 918 HG2 ARG 115 HG2 ARG 115 6.890 -3.108 -7.786 919 HG3 ARG 115 HG3 ARG 115 7.643 -3.796 -9.246 920 HD2 ARG 115 HD2 ARG 115 6.569 -2.074 -10.614 921 HD3 ARG 115 HD3 ARG 115 5.911 -1.329 -9.145 922 HE ARG 115 HE ARG 115 8.596 -1.545 -8.593 923 HH11 ARG 115 HH11 ARG 115 6.735 -0.037 -11.224 924 HH12 ARG 115 HH12 ARG 115 8.006 1.107 -11.589 925 HH21 ARG 115 HH21 ARG 115 10.327 -0.058 -9.192 926 HH22 ARG 115 HH22 ARG 115 9.863 1.293 -10.094 927 H ARG 116 HN ARG 116 7.779 -5.279 -7.070 928 HA ARG 116 HA ARG 116 9.546 -6.357 -8.951 929 HB2 ARG 116 HB2 ARG 116 9.697 -6.284 -5.903 930 HB3 ARG 116 HB3 ARG 116 10.979 -6.865 -6.927 931 HG2 ARG 116 HG2 ARG 116 9.924 -4.042 -7.070 932 HG3 ARG 116 HG3 ARG 116 11.330 -4.569 -6.154 933 HD2 ARG 116 HD2 ARG 116 11.776 -5.700 -8.682 934 HD3 ARG 116 HD3 ARG 116 10.957 -4.181 -9.029 935 HE ARG 116 HE ARG 116 13.427 -4.348 -7.344 936 HH11 ARG 116 HH11 ARG 116 11.954 -3.273 -10.395 937 HH12 ARG 116 HH12 ARG 116 12.920 -1.840 -10.514 938 HH21 ARG 116 HH21 ARG 116 14.998 -2.692 -7.739 939 HH22 ARG 116 HH22 ARG 116 14.667 -1.496 -8.957 940 H SER 117 HN SER 117 8.094 -7.949 -6.143 941 HA SER 117 HA SER 117 9.131 -10.466 -6.433 942 HB2 SER 117 HB2 SER 117 7.393 -11.184 -4.952 943 HB3 SER 117 HB3 SER 117 7.737 -9.473 -4.618 944 HG SER 117 HG SER 117 5.869 -8.906 -5.834 945 H GLN 118 HN GLN 118 6.405 -9.190 -8.133 946 HA GLN 118 HA GLN 118 5.245 -11.627 -9.046 947 HB2 GLN 118 HB2 GLN 118 5.096 -8.852 -10.301 948 HB3 GLN 118 HB3 GLN 118 4.076 -10.208 -10.763 949 HG2 GLN 118 HG2 GLN 118 3.138 -10.355 -8.525 950 HG3 GLN 118 HG3 GLN 118 4.182 -9.070 -7.951 951 HE21 GLN 118 HE21 GLN 118 1.076 -9.559 -8.712 952 HE22 GLN 118 HE22 GLN 118 0.693 -7.901 -9.208 953 H GLN 119 HN GLN 119 7.574 -9.565 -10.590 954 HA GLN 119 HA GLN 119 8.022 -11.469 -12.769 955 HB2 GLN 119 HB2 GLN 119 8.297 -9.421 -14.193 956 HB3 GLN 119 HB3 GLN 119 6.713 -9.837 -13.503 957 HG2 GLN 119 HG2 GLN 119 6.809 -7.546 -13.458 958 HG3 GLN 119 HG3 GLN 119 6.879 -8.132 -11.813 959 HE21 GLN 119 HE21 GLN 119 8.935 -7.811 -10.578 960 HE22 GLN 119 HE22 GLN 119 10.024 -6.556 -11.170 961 H ASP 120 HN ASP 120 9.469 -10.894 -10.181 962 HA ASP 120 HA ASP 120 11.975 -9.746 -10.448 963 HB2 ASP 120 HB2 ASP 120 11.065 -10.378 -8.289 964 HB3 ASP 120 HB3 ASP 120 10.965 -12.070 -8.782 Start of MODEL 5 1 H1 MET 1 HN MET 1 -4.316 -11.297 -7.846 2 HA MET 1 HA MET 1 -5.843 -9.732 -9.841 3 HB2 MET 1 HB2 MET 1 -6.447 -9.312 -7.368 4 HB3 MET 1 HB3 MET 1 -4.823 -8.717 -7.147 5 HG2 MET 1 HG2 MET 1 -5.716 -6.747 -7.651 6 HG3 MET 1 HG3 MET 1 -5.601 -7.241 -9.334 7 HE1 MET 1 HE1 MET 1 -7.672 -4.932 -7.898 8 HE2 MET 1 HE2 MET 1 -7.307 -5.176 -9.622 9 HE3 MET 1 HE3 MET 1 -8.989 -5.196 -9.057 10 H GLY 2 HN GLY 2 -4.299 -9.269 -11.498 11 HA2 GLY 2 HA2 GLY 2 -1.444 -8.938 -10.659 12 HA3 GLY 2 HA1 GLY 2 -1.986 -9.652 -12.160 13 H ILE 3 HN ILE 3 -2.341 -6.687 -10.248 14 HA ILE 3 HA ILE 3 -3.026 -5.035 -12.534 15 HB ILE 3 HB ILE 3 -2.056 -4.090 -9.819 16 HG12 ILE 3 HG12 ILE 3 -4.844 -4.992 -10.669 17 HG13 ILE 3 HG13 ILE 3 -3.830 -5.740 -9.423 18 HG21 ILE 3 HG21 ILE 3 -4.007 -2.815 -11.790 19 HG22 ILE 3 HG22 ILE 3 -3.431 -2.104 -10.267 20 HG23 ILE 3 HG23 ILE 3 -2.313 -2.326 -11.575 21 HD11 ILE 3 HD11 ILE 3 -3.949 -3.506 -8.168 22 HD12 ILE 3 HD12 ILE 3 -5.244 -3.056 -9.301 23 HD13 ILE 3 HD13 ILE 3 -5.439 -4.467 -8.266 24 H THR 4 HN THR 4 -1.680 -3.308 -13.373 25 HA THR 4 HA THR 4 1.249 -3.858 -13.351 26 HB THR 4 HB THR 4 -0.491 -1.970 -15.002 27 HG1 THR 4 HG1 THR 4 -0.582 -4.299 -15.392 28 HG21 THR 4 HG21 THR 4 1.790 -1.043 -14.679 29 HG22 THR 4 HG22 THR 4 1.525 -1.585 -16.339 30 HG23 THR 4 HG23 THR 4 2.496 -2.577 -15.224 31 H ILE 5 HN ILE 5 2.480 -2.600 -11.957 32 HA ILE 5 HA ILE 5 1.246 -0.174 -10.766 33 HB ILE 5 HB ILE 5 3.861 -1.570 -10.107 34 HG12 ILE 5 HG12 ILE 5 2.095 -3.031 -9.453 35 HG13 ILE 5 HG13 ILE 5 2.779 -2.300 -8.015 36 HG21 ILE 5 HG21 ILE 5 2.470 0.799 -8.798 37 HG22 ILE 5 HG22 ILE 5 3.765 -0.146 -8.017 38 HG23 ILE 5 HG23 ILE 5 4.087 0.741 -9.507 39 HD11 ILE 5 HD11 ILE 5 0.106 -1.622 -9.321 40 HD12 ILE 5 HD12 ILE 5 0.383 -2.398 -7.754 41 HD13 ILE 5 HD13 ILE 5 0.813 -0.696 -7.980 42 H THR 6 HN THR 6 2.141 1.814 -11.090 43 HA THR 6 HA THR 6 4.501 2.052 -12.872 44 HB THR 6 HB THR 6 3.385 4.297 -13.531 45 HG1 THR 6 HG1 THR 6 1.052 2.821 -12.788 46 HG21 THR 6 HG21 THR 6 2.260 3.211 -15.401 47 HG22 THR 6 HG22 THR 6 2.184 1.666 -14.479 48 HG23 THR 6 HG23 THR 6 3.749 2.351 -14.999 49 H ASP 7 HN ASP 7 6.139 3.250 -12.013 50 HA ASP 7 HA ASP 7 6.083 3.911 -9.231 51 HB2 ASP 7 HB2 ASP 7 8.041 4.655 -11.417 52 HB3 ASP 7 HB3 ASP 7 8.294 4.961 -9.693 53 H GLU 8 HN GLU 8 5.189 5.634 -12.094 54 HA GLU 8 HA GLU 8 5.145 8.362 -11.207 55 HB2 GLU 8 HB2 GLU 8 3.878 6.574 -13.231 56 HB3 GLU 8 HB3 GLU 8 2.923 7.983 -12.850 57 HG2 GLU 8 HG2 GLU 8 5.884 8.277 -13.529 58 HG3 GLU 8 HG3 GLU 8 4.698 7.962 -14.798 59 H LEU 9 HN LEU 9 2.772 5.682 -10.934 60 HA LEU 9 HA LEU 9 0.863 7.260 -9.438 61 HB2 LEU 9 HB2 LEU 9 1.017 4.566 -10.602 62 HB3 LEU 9 HB3 LEU 9 0.328 4.502 -9.001 63 HG LEU 9 HG LEU 9 -0.660 6.347 -11.205 64 HD11 LEU 9 HD11 LEU 9 -1.890 3.757 -10.137 65 HD12 LEU 9 HD12 LEU 9 -0.963 3.888 -11.653 66 HD13 LEU 9 HD13 LEU 9 -2.492 4.758 -11.468 67 HD21 LEU 9 HD21 LEU 9 -2.650 6.621 -9.732 68 HD22 LEU 9 HD22 LEU 9 -1.204 7.205 -8.915 69 HD23 LEU 9 HD23 LEU 9 -1.869 5.620 -8.501 70 H LEU 10 HN LEU 10 3.768 5.659 -8.558 71 HA LEU 10 HA LEU 10 2.966 5.521 -5.717 72 HB2 LEU 10 HB2 LEU 10 5.704 5.035 -6.905 73 HB3 LEU 10 HB3 LEU 10 5.124 4.638 -5.292 74 HG LEU 10 HG LEU 10 4.402 3.331 -7.938 75 HD11 LEU 10 HD11 LEU 10 5.450 2.207 -5.341 76 HD12 LEU 10 HD12 LEU 10 6.462 2.656 -6.741 77 HD13 LEU 10 HD13 LEU 10 5.286 1.343 -6.885 78 HD21 LEU 10 HD21 LEU 10 2.905 1.808 -6.642 79 HD22 LEU 10 HD22 LEU 10 2.275 3.434 -6.835 80 HD23 LEU 10 HD23 LEU 10 2.989 2.951 -5.277 81 H TRP 11 HN TRP 11 5.012 7.537 -7.891 82 HA TRP 11 HA TRP 11 6.158 9.129 -5.889 83 HB2 TRP 11 HB2 TRP 11 5.776 9.320 -8.819 84 HB3 TRP 11 HB3 TRP 11 5.878 10.877 -7.998 85 HD1 TRP 11 HD1 TRP 11 8.057 8.048 -9.121 86 HE1 TRP 11 HE1 TRP 11 10.429 8.364 -8.423 87 HE3 TRP 11 HE3 TRP 11 7.250 11.718 -5.650 88 HZ2 TRP 11 HZ2 TRP 11 11.803 9.810 -6.188 89 HZ3 TRP 11 HZ3 TRP 11 9.064 12.391 -4.113 90 HH2 TRP 11 HH2 TRP 11 11.342 11.402 -4.359 91 H ALA 12 HN ALA 12 3.000 9.472 -7.450 92 HA ALA 12 HA ALA 12 2.208 11.951 -6.441 93 HB1 ALA 12 HB1 ALA 12 0.941 10.696 -8.083 94 HB2 ALA 12 HB2 ALA 12 0.519 9.458 -6.884 95 HB3 ALA 12 HB3 ALA 12 -0.103 11.117 -6.722 96 H ILE 13 HN ILE 13 2.471 8.890 -4.608 97 HA ILE 13 HA ILE 13 0.711 9.742 -2.515 98 HB ILE 13 HB ILE 13 2.933 7.777 -1.965 99 HG12 ILE 13 HG12 ILE 13 2.361 6.469 -3.753 100 HG13 ILE 13 HG13 ILE 13 1.148 5.951 -2.648 101 HG21 ILE 13 HG21 ILE 13 1.194 6.797 -0.528 102 HG22 ILE 13 HG22 ILE 13 1.316 8.538 -0.227 103 HG23 ILE 13 HG23 ILE 13 -0.015 7.899 -1.212 104 HD11 ILE 13 HD11 ILE 13 0.871 7.695 -5.095 105 HD12 ILE 13 HD12 ILE 13 -0.093 6.325 -4.595 106 HD13 ILE 13 HD13 ILE 13 -0.293 7.852 -3.747 107 H LEU 14 HN LEU 14 4.364 9.850 -2.982 108 HA LEU 14 HA LEU 14 4.884 11.055 -0.442 109 HB2 LEU 14 HB2 LEU 14 6.513 11.129 -3.020 110 HB3 LEU 14 HB3 LEU 14 7.076 11.548 -1.418 111 HG LEU 14 HG LEU 14 7.925 9.478 -1.728 112 HD11 LEU 14 HD11 LEU 14 6.577 9.561 0.424 113 HD12 LEU 14 HD12 LEU 14 6.994 7.942 -0.175 114 HD13 LEU 14 HD13 LEU 14 5.363 8.561 -0.431 115 HD21 LEU 14 HD21 LEU 14 5.413 8.206 -2.760 116 HD22 LEU 14 HD22 LEU 14 7.102 7.616 -2.775 117 HD23 LEU 14 HD23 LEU 14 6.666 8.964 -3.789 118 H LYS 15 HN LYS 15 4.192 12.301 -3.706 119 HA LYS 15 HA LYS 15 4.502 15.087 -3.022 120 HB2 LYS 15 HB2 LYS 15 2.741 13.740 -5.118 121 HB3 LYS 15 HB3 LYS 15 3.084 15.460 -5.043 122 HG2 LYS 15 HG2 LYS 15 5.186 13.289 -5.507 123 HG3 LYS 15 HG3 LYS 15 4.438 14.289 -6.735 124 HD2 LYS 15 HD2 LYS 15 5.375 16.317 -5.472 125 HD3 LYS 15 HD3 LYS 15 6.246 15.161 -4.450 126 HE2 LYS 15 HE2 LYS 15 7.706 16.046 -6.181 127 HE3 LYS 15 HE3 LYS 15 7.486 14.305 -6.379 128 HZ1 LYS 15 HZ1 LYS 15 7.354 15.716 -8.415 129 HZ2 LYS 15 HZ2 LYS 15 5.868 16.250 -7.910 130 HZ3 LYS 15 HZ3 LYS 15 6.127 14.663 -8.236 131 H ASP 16 HN ASP 16 2.232 12.765 -1.872 132 HA ASP 16 HA ASP 16 0.314 12.848 -0.760 133 HB2 ASP 16 HB2 ASP 16 1.742 14.135 0.771 134 HB3 ASP 16 HB3 ASP 16 1.291 15.603 -0.093 135 H GLU 17 HN GLU 17 0.181 13.414 -3.579 136 HA GLU 17 HA GLU 17 -1.800 15.502 -3.981 137 HB2 GLU 17 HB2 GLU 17 -0.327 15.314 -5.781 138 HB3 GLU 17 HB3 GLU 17 -0.152 13.574 -5.602 139 HG2 GLU 17 HG2 GLU 17 -1.328 14.099 -7.623 140 HG3 GLU 17 HG3 GLU 17 -2.295 13.144 -6.509 141 H LEU 18 HN LEU 18 -1.474 11.974 -3.700 142 HA LEU 18 HA LEU 18 -4.072 11.128 -4.337 143 HB2 LEU 18 HB2 LEU 18 -1.887 10.135 -2.572 144 HB3 LEU 18 HB3 LEU 18 -3.397 9.576 -2.097 145 HG LEU 18 HG LEU 18 -2.413 7.979 -3.493 146 HD11 LEU 18 HD11 LEU 18 -4.929 8.525 -3.426 147 HD12 LEU 18 HD12 LEU 18 -4.318 7.203 -4.410 148 HD13 LEU 18 HD13 LEU 18 -4.718 8.775 -5.168 149 HD21 LEU 18 HD21 LEU 18 -2.710 9.889 -5.865 150 HD22 LEU 18 HD22 LEU 18 -2.050 8.247 -5.901 151 HD23 LEU 18 HD23 LEU 18 -1.170 9.543 -5.062 152 H SER 19 HN SER 19 -5.716 10.405 -2.941 153 HA SER 19 HA SER 19 -6.219 12.371 -0.782 154 HB2 SER 19 HB2 SER 19 -8.200 10.687 -2.386 155 HB3 SER 19 HB3 SER 19 -8.623 11.885 -1.153 156 HG SER 19 HG SER 19 -8.785 12.778 -3.162 157 H ASP 20 HN ASP 20 -7.848 11.360 1.010 158 HA ASP 20 HA ASP 20 -6.461 9.291 2.374 159 HB2 ASP 20 HB2 ASP 20 -8.631 9.105 3.717 160 HB3 ASP 20 HB3 ASP 20 -7.771 10.636 3.732 161 H ALA 21 HN ALA 21 -9.641 9.104 0.768 162 HA ALA 21 HA ALA 21 -9.921 6.343 0.842 163 HB1 ALA 21 HB1 ALA 21 -11.556 6.695 -1.000 164 HB2 ALA 21 HB2 ALA 21 -11.751 7.875 0.325 165 HB3 ALA 21 HB3 ALA 21 -10.967 8.357 -1.200 166 H GLU 22 HN GLU 22 -8.633 8.319 -1.907 167 HA GLU 22 HA GLU 22 -8.208 5.991 -3.513 168 HB2 GLU 22 HB2 GLU 22 -7.094 8.805 -3.795 169 HB3 GLU 22 HB3 GLU 22 -6.840 7.493 -4.954 170 HG2 GLU 22 HG2 GLU 22 -9.514 7.366 -4.796 171 HG3 GLU 22 HG3 GLU 22 -9.325 9.063 -4.358 172 H ALA 23 HN ALA 23 -6.052 7.692 -1.168 173 HA ALA 23 HA ALA 23 -3.698 6.311 -1.923 174 HB1 ALA 23 HB1 ALA 23 -2.874 6.791 0.366 175 HB2 ALA 23 HB2 ALA 23 -3.547 8.223 -0.426 176 HB3 ALA 23 HB3 ALA 23 -4.496 7.368 0.817 177 H ASN 24 HN ASN 24 -6.234 5.587 0.432 178 HA ASN 24 HA ASN 24 -5.216 3.065 1.409 179 HB2 ASN 24 HB2 ASN 24 -7.811 4.563 1.434 180 HB3 ASN 24 HB3 ASN 24 -7.956 2.834 1.454 181 HD21 ASN 24 HD21 ASN 24 -8.816 4.589 3.641 182 HD22 ASN 24 HD22 ASN 24 -7.881 4.070 5.008 183 H ALA 25 HN ALA 25 -7.510 3.916 -1.197 184 HA ALA 25 HA ALA 25 -8.123 1.397 -2.088 185 HB1 ALA 25 HB1 ALA 25 -8.862 2.415 -4.159 186 HB2 ALA 25 HB2 ALA 25 -9.275 3.490 -2.793 187 HB3 ALA 25 HB3 ALA 25 -7.892 3.860 -3.854 188 H LEU 26 HN LEU 26 -5.379 3.460 -3.454 189 HA LEU 26 HA LEU 26 -4.771 1.627 -5.522 190 HB2 LEU 26 HB2 LEU 26 -3.084 3.616 -3.943 191 HB3 LEU 26 HB3 LEU 26 -2.441 2.725 -5.310 192 HG LEU 26 HG LEU 26 -4.823 4.614 -5.493 193 HD11 LEU 26 HD11 LEU 26 -3.277 6.164 -6.562 194 HD12 LEU 26 HD12 LEU 26 -1.931 5.022 -6.353 195 HD13 LEU 26 HD13 LEU 26 -2.694 5.772 -4.947 196 HD21 LEU 26 HD21 LEU 26 -4.914 2.946 -7.278 197 HD22 LEU 26 HD22 LEU 26 -3.189 3.189 -7.647 198 HD23 LEU 26 HD23 LEU 26 -4.372 4.479 -7.948 199 H VAL 27 HN VAL 27 -4.152 1.301 -2.116 200 HA VAL 27 HA VAL 27 -2.126 -0.808 -2.488 201 HB VAL 27 HB VAL 27 -3.600 -0.093 0.064 202 HG11 VAL 27 HG11 VAL 27 -0.695 -0.943 -0.298 203 HG12 VAL 27 HG12 VAL 27 -1.685 -1.037 1.171 204 HG13 VAL 27 HG13 VAL 27 -1.985 -2.127 -0.210 205 HG21 VAL 27 HG21 VAL 27 -1.078 1.278 -0.919 206 HG22 VAL 27 HG22 VAL 27 -2.675 2.016 -0.752 207 HG23 VAL 27 HG23 VAL 27 -1.851 1.447 0.689 208 H TRP 28 HN TRP 28 -5.539 -0.436 -1.328 209 HA TRP 28 HA TRP 28 -6.140 -3.110 -0.809 210 HB2 TRP 28 HB2 TRP 28 -7.937 -0.937 -1.965 211 HB3 TRP 28 HB3 TRP 28 -8.485 -2.437 -1.273 212 HD1 TRP 28 HD1 TRP 28 -6.158 -1.817 1.229 213 HE1 TRP 28 HE1 TRP 28 -7.023 -0.348 3.173 214 HE3 TRP 28 HE3 TRP 28 -10.204 0.284 -1.085 215 HZ2 TRP 28 HZ2 TRP 28 -9.255 1.366 3.681 216 HZ3 TRP 28 HZ3 TRP 28 -11.632 1.915 0.124 217 HH2 TRP 28 HH2 TRP 28 -11.153 2.471 2.503 218 H GLN 29 HN GLN 29 -6.360 -1.327 -3.903 219 HA GLN 29 HA GLN 29 -7.603 -3.339 -5.411 220 HB2 GLN 29 HB2 GLN 29 -6.526 -2.311 -7.405 221 HB3 GLN 29 HB3 GLN 29 -7.468 -1.229 -6.405 222 HG2 GLN 29 HG2 GLN 29 -5.529 -0.202 -5.656 223 HG3 GLN 29 HG3 GLN 29 -4.446 -1.415 -6.264 224 HE21 GLN 29 HE21 GLN 29 -7.068 0.677 -7.750 225 HE22 GLN 29 HE22 GLN 29 -6.044 1.159 -9.099 226 H ALA 30 HN ALA 30 -4.098 -2.842 -4.881 227 HA ALA 30 HA ALA 30 -3.185 -4.929 -6.596 228 HB1 ALA 30 HB1 ALA 30 -1.082 -4.656 -5.320 229 HB2 ALA 30 HB2 ALA 30 -1.771 -3.098 -5.838 230 HB3 ALA 30 HB3 ALA 30 -1.944 -3.643 -4.151 231 H LEU 31 HN LEU 31 -4.201 -5.067 -3.177 232 HA LEU 31 HA LEU 31 -3.251 -7.769 -2.730 233 HB2 LEU 31 HB2 LEU 31 -5.477 -6.156 -1.454 234 HB3 LEU 31 HB3 LEU 31 -5.077 -7.811 -0.981 235 HG LEU 31 HG LEU 31 -3.214 -5.414 -0.806 236 HD11 LEU 31 HD11 LEU 31 -5.117 -5.552 0.883 237 HD12 LEU 31 HD12 LEU 31 -3.505 -5.644 1.610 238 HD13 LEU 31 HD13 LEU 31 -4.419 -7.114 1.397 239 HD21 LEU 31 HD21 LEU 31 -1.742 -6.990 0.505 240 HD22 LEU 31 HD22 LEU 31 -1.882 -7.459 -1.189 241 HD23 LEU 31 HD23 LEU 31 -2.811 -8.319 0.052 242 H GLY 32 HN GLY 32 -6.386 -6.464 -3.843 243 HA2 GLY 32 HA2 GLY 32 -7.485 -7.677 -5.669 244 HA3 GLY 32 HA1 GLY 32 -7.027 -9.198 -4.911 245 H TYR 33 HN TYR 33 -8.172 -6.643 -2.751 246 HA TYR 33 HA TYR 33 -10.517 -8.216 -2.090 247 HB2 TYR 33 HB2 TYR 33 -9.541 -5.465 -1.267 248 HB3 TYR 33 HB3 TYR 33 -11.092 -6.115 -0.739 249 HD1 TYR 33 HD2 TYR 33 -11.259 -8.033 0.773 250 HD2 TYR 33 HD1 TYR 33 -7.456 -6.400 -0.412 251 HE1 TYR 33 HE2 TYR 33 -10.175 -9.239 2.645 252 HE2 TYR 33 HE1 TYR 33 -6.356 -7.712 1.390 253 HH TYR 33 HH TYR 33 -8.054 -9.126 3.953 254 H VAL 34 HN VAL 34 -9.860 -5.490 -4.086 255 HA VAL 34 HA VAL 34 -11.242 -4.152 -5.409 256 HB VAL 34 HB VAL 34 -10.151 -5.495 -6.828 257 HG11 VAL 34 HG11 VAL 34 -10.102 -7.686 -6.295 258 HG12 VAL 34 HG12 VAL 34 -11.823 -7.766 -5.854 259 HG13 VAL 34 HG13 VAL 34 -11.317 -7.782 -7.560 260 HG21 VAL 34 HG21 VAL 34 -12.256 -4.303 -7.645 261 HG22 VAL 34 HG22 VAL 34 -11.583 -5.568 -8.703 262 HG23 VAL 34 HG23 VAL 34 -13.013 -5.916 -7.704 263 H TRP 35 HN TRP 35 -12.900 -3.075 -4.616 264 HA TRP 35 HA TRP 35 -15.165 -4.060 -3.397 265 HB2 TRP 35 HB2 TRP 35 -14.567 -1.731 -3.432 266 HB3 TRP 35 HB3 TRP 35 -14.906 -1.601 -5.139 267 HD1 TRP 35 HD1 TRP 35 -17.297 -1.137 -5.901 268 HE1 TRP 35 HE1 TRP 35 -19.557 -0.775 -4.778 269 HE3 TRP 35 HE3 TRP 35 -16.084 -2.618 -1.126 270 HZ2 TRP 35 HZ2 TRP 35 -20.751 -1.240 -2.192 271 HZ3 TRP 35 HZ3 TRP 35 -17.782 -2.586 0.629 272 HH2 TRP 35 HH2 TRP 35 -20.144 -1.920 0.112 273 H ASP 36 HN ASP 36 -16.938 -5.103 -3.928 274 HA ASP 36 HA ASP 36 -17.559 -5.494 -6.799 275 HB2 ASP 36 HB2 ASP 36 -16.820 -7.357 -4.925 276 HB3 ASP 36 HB3 ASP 36 -18.518 -7.489 -4.816 277 H GLU 37 HN GLU 37 -18.823 -3.798 -7.024 278 HA GLU 37 HA GLU 37 -20.568 -2.694 -5.197 279 HB2 GLU 37 HB2 GLU 37 -19.675 -1.570 -7.138 280 HB3 GLU 37 HB3 GLU 37 -20.485 -2.686 -8.230 281 HG2 GLU 37 HG2 GLU 37 -22.674 -1.772 -7.619 282 HG3 GLU 37 HG3 GLU 37 -21.918 -0.742 -6.381 283 H ALA 38 HN ALA 38 -21.230 -5.254 -7.508 284 HA ALA 38 HA ALA 38 -24.137 -5.157 -7.142 285 HB1 ALA 38 HB1 ALA 38 -22.315 -7.242 -8.432 286 HB2 ALA 38 HB2 ALA 38 -24.092 -7.210 -8.537 287 HB3 ALA 38 HB3 ALA 38 -23.124 -5.897 -9.247 288 H GLN 39 HN GLN 39 -21.442 -6.710 -5.530 289 HA GLN 39 HA GLN 39 -23.128 -8.627 -4.022 290 HB2 GLN 39 HB2 GLN 39 -20.275 -8.243 -4.136 291 HB3 GLN 39 HB3 GLN 39 -21.178 -9.202 -2.945 292 HG2 GLN 39 HG2 GLN 39 -20.393 -9.937 -5.515 293 HG3 GLN 39 HG3 GLN 39 -21.152 -10.865 -4.190 294 HE21 GLN 39 HE21 GLN 39 -21.653 -9.392 -7.331 295 HE22 GLN 39 HE22 GLN 39 -23.388 -9.666 -7.251 296 H SER 40 HN SER 40 -21.794 -5.360 -3.900 297 HA SER 40 HA SER 40 -21.655 -3.708 -2.572 298 HB2 SER 40 HB2 SER 40 -23.257 -3.299 -0.858 299 HB3 SER 40 HB3 SER 40 -24.012 -3.849 -2.344 300 HG SER 40 HG SER 40 -23.684 -6.035 -1.073 301 H CYS 41 HN CYS 41 -19.753 -5.806 -2.333 302 HA CYS 41 HA CYS 41 -18.808 -5.139 0.351 303 HB2 CYS 41 HB2 CYS 41 -18.249 -7.557 0.870 304 HB3 CYS 41 HB3 CYS 41 -19.950 -7.122 1.003 305 HG CYS 41 HG CYS 41 -20.840 -8.208 -0.984 306 H TRP 42 HN TRP 42 -16.678 -5.864 0.729 307 HA TRP 42 HA TRP 42 -14.780 -5.668 -1.429 308 HB2 TRP 42 HB2 TRP 42 -14.630 -6.681 1.457 309 HB3 TRP 42 HB3 TRP 42 -13.235 -6.292 0.442 310 HD1 TRP 42 HD1 TRP 42 -15.478 -4.709 3.027 311 HE1 TRP 42 HE1 TRP 42 -15.571 -2.203 2.859 312 HE3 TRP 42 HE3 TRP 42 -12.997 -4.071 -1.438 313 HZ2 TRP 42 HZ2 TRP 42 -14.535 -0.115 1.138 314 HZ3 TRP 42 HZ3 TRP 42 -12.506 -1.779 -2.268 315 HH2 TRP 42 HH2 TRP 42 -13.323 0.197 -1.021 316 H LYS 43 HN LYS 43 -14.591 -7.387 -2.958 317 HA LYS 43 HA LYS 43 -15.338 -10.094 -2.511 318 HB2 LYS 43 HB2 LYS 43 -13.807 -8.422 -4.467 319 HB3 LYS 43 HB3 LYS 43 -13.192 -10.058 -4.294 320 HG2 LYS 43 HG2 LYS 43 -15.432 -10.946 -4.602 321 HG3 LYS 43 HG3 LYS 43 -16.088 -9.351 -4.840 322 HD2 LYS 43 HD2 LYS 43 -13.981 -10.667 -6.603 323 HD3 LYS 43 HD3 LYS 43 -15.700 -10.470 -6.986 324 HE2 LYS 43 HE2 LYS 43 -15.218 -7.922 -6.554 325 HE3 LYS 43 HE3 LYS 43 -13.529 -8.364 -6.771 326 HZ1 LYS 43 HZ1 LYS 43 -14.638 -7.662 -8.823 327 HZ2 LYS 43 HZ2 LYS 43 -15.753 -8.822 -8.652 328 HZ3 LYS 43 HZ3 LYS 43 -14.216 -9.292 -8.976 329 H THR 44 HN THR 44 -13.809 -11.821 -2.241 330 HA THR 44 HA THR 44 -11.094 -10.965 -1.441 331 HB THR 44 HB THR 44 -11.104 -12.927 0.201 332 HG1 THR 44 HG1 THR 44 -13.204 -13.748 -0.544 333 HG21 THR 44 HG21 THR 44 -11.977 -11.568 2.006 334 HG22 THR 44 HG22 THR 44 -12.932 -10.582 0.885 335 HG23 THR 44 HG23 THR 44 -11.162 -10.523 0.836 336 H ASP 45 HN ASP 45 -12.733 -12.307 -3.913 337 HA ASP 45 HA ASP 45 -11.702 -14.945 -4.182 338 HB2 ASP 45 HB2 ASP 45 -12.938 -12.844 -5.934 339 HB3 ASP 45 HB3 ASP 45 -12.181 -14.219 -6.720 340 H LEU 46 HN LEU 46 -10.567 -11.690 -5.243 341 HA LEU 46 HA LEU 46 -8.572 -12.981 -6.872 342 HB2 LEU 46 HB2 LEU 46 -9.025 -9.995 -6.566 343 HB3 LEU 46 HB3 LEU 46 -7.959 -10.808 -7.688 344 HG LEU 46 HG LEU 46 -9.948 -11.970 -8.695 345 HD11 LEU 46 HD11 LEU 46 -11.343 -10.212 -6.703 346 HD12 LEU 46 HD12 LEU 46 -11.841 -11.749 -7.459 347 HD13 LEU 46 HD13 LEU 46 -12.027 -10.233 -8.333 348 HD21 LEU 46 HD21 LEU 46 -9.924 -8.943 -8.887 349 HD22 LEU 46 HD22 LEU 46 -10.453 -10.095 -10.137 350 HD23 LEU 46 HD23 LEU 46 -8.742 -9.990 -9.690 351 H VAL 47 HN VAL 47 -8.608 -12.465 -3.707 352 HA VAL 47 HA VAL 47 -5.873 -11.381 -3.459 353 HB VAL 47 HB VAL 47 -7.215 -9.849 -2.483 354 HG11 VAL 47 HG11 VAL 47 -8.899 -9.886 -0.981 355 HG12 VAL 47 HG12 VAL 47 -9.286 -10.811 -2.406 356 HG13 VAL 47 HG13 VAL 47 -8.856 -11.661 -0.875 357 HG21 VAL 47 HG21 VAL 47 -5.342 -10.450 -0.966 358 HG22 VAL 47 HG22 VAL 47 -6.730 -9.842 -0.078 359 HG23 VAL 47 HG23 VAL 47 -6.430 -11.568 -0.105 360 H ALA 48 HN ALA 48 -4.356 -12.245 -2.028 361 HA ALA 48 HA ALA 48 -4.254 -15.111 -2.261 362 HB1 ALA 48 HB1 ALA 48 -2.529 -13.244 -0.555 363 HB2 ALA 48 HB2 ALA 48 -2.128 -14.900 -1.031 364 HB3 ALA 48 HB3 ALA 48 -2.229 -13.635 -2.264 365 HA PRO 49 HA PRO 49 -6.709 -16.150 1.127 366 HB2 PRO 49 HB2 PRO 49 -5.689 -18.479 2.148 367 HB3 PRO 49 HB3 PRO 49 -6.545 -18.339 0.582 368 HG2 PRO 49 HG2 PRO 49 -3.572 -18.336 1.092 369 HG3 PRO 49 HG3 PRO 49 -4.471 -19.277 -0.141 370 HD2 PRO 49 HD2 PRO 49 -3.204 -16.950 -0.764 371 HD3 PRO 49 HD3 PRO 49 -4.782 -17.349 -1.498 372 H GLU 50 HN GLU 50 -3.197 -16.033 1.933 373 HA GLU 50 HA GLU 50 -3.566 -15.939 4.710 374 HB2 GLU 50 HB2 GLU 50 -1.296 -15.342 4.836 375 HB3 GLU 50 HB3 GLU 50 -1.417 -16.328 3.382 376 HG2 GLU 50 HG2 GLU 50 -1.354 -14.267 1.970 377 HG3 GLU 50 HG3 GLU 50 -1.338 -13.281 3.393 378 H TRP 51 HN TRP 51 -4.288 -13.519 2.344 379 HA TRP 51 HA TRP 51 -4.138 -11.321 4.308 380 HB2 TRP 51 HB2 TRP 51 -4.443 -11.420 1.335 381 HB3 TRP 51 HB3 TRP 51 -5.169 -10.083 2.231 382 HD1 TRP 51 HD1 TRP 51 -1.758 -11.510 1.299 383 HE1 TRP 51 HE1 TRP 51 0.070 -9.796 1.849 384 HE3 TRP 51 HE3 TRP 51 -4.596 -8.087 3.845 385 HZ2 TRP 51 HZ2 TRP 51 0.314 -7.361 3.418 386 HZ3 TRP 51 HZ3 TRP 51 -3.563 -6.033 4.761 387 HH2 TRP 51 HH2 TRP 51 -1.113 -5.658 4.560 388 H ARG 52 HN ARG 52 -6.633 -12.868 2.192 389 HA ARG 52 HA ARG 52 -8.719 -11.477 3.528 390 HB2 ARG 52 HB2 ARG 52 -10.294 -12.998 2.523 391 HB3 ARG 52 HB3 ARG 52 -9.178 -12.249 1.411 392 HG2 ARG 52 HG2 ARG 52 -8.183 -14.897 2.214 393 HG3 ARG 52 HG3 ARG 52 -9.872 -15.004 1.699 394 HD2 ARG 52 HD2 ARG 52 -9.131 -13.549 -0.349 395 HD3 ARG 52 HD3 ARG 52 -7.522 -13.876 0.122 396 HE ARG 52 HE ARG 52 -7.706 -15.695 -1.124 397 HH11 ARG 52 HH11 ARG 52 -11.032 -15.207 0.050 398 HH12 ARG 52 HH12 ARG 52 -11.718 -16.250 -1.133 399 HH21 ARG 52 HH21 ARG 52 -8.546 -17.340 -2.352 400 HH22 ARG 52 HH22 ARG 52 -10.255 -17.511 -2.552 401 H GLN 53 HN GLN 53 -6.982 -14.247 4.586 402 HA GLN 53 HA GLN 53 -8.606 -15.959 5.595 403 HB2 GLN 53 HB2 GLN 53 -5.867 -15.229 6.014 404 HB3 GLN 53 HB3 GLN 53 -6.525 -15.595 7.608 405 HG2 GLN 53 HG2 GLN 53 -7.385 -17.724 6.821 406 HG3 GLN 53 HG3 GLN 53 -6.849 -17.392 5.170 407 HE21 GLN 53 HE21 GLN 53 -6.079 -19.686 6.622 408 HE22 GLN 53 HE22 GLN 53 -4.319 -19.613 6.877 409 H ASP 54 HN ASP 54 -7.884 -13.033 7.496 410 HA ASP 54 HA ASP 54 -10.128 -13.706 9.327 411 HB2 ASP 54 HB2 ASP 54 -7.313 -12.854 10.071 412 HB3 ASP 54 HB3 ASP 54 -8.684 -12.732 11.171 413 H TYR 55 HN TYR 55 -9.563 -11.920 6.944 414 HA TYR 55 HA TYR 55 -9.788 -9.181 8.061 415 HB2 TYR 55 HB2 TYR 55 -8.643 -10.347 5.545 416 HB3 TYR 55 HB3 TYR 55 -9.305 -8.731 5.502 417 HD1 TYR 55 HD1 TYR 55 -7.236 -10.423 8.200 418 HD2 TYR 55 HD2 TYR 55 -7.595 -7.175 5.355 419 HE1 TYR 55 HE1 TYR 55 -5.376 -9.292 9.271 420 HE2 TYR 55 HE2 TYR 55 -5.728 -6.048 6.415 421 HH TYR 55 HH TYR 55 -4.816 -5.938 8.605 422 HA PRO 56 HA PRO 56 -14.041 -9.751 6.351 423 HB2 PRO 56 HB2 PRO 56 -15.428 -8.570 8.368 424 HB3 PRO 56 HB3 PRO 56 -14.866 -10.265 8.446 425 HG2 PRO 56 HG2 PRO 56 -13.526 -7.821 9.618 426 HG3 PRO 56 HG3 PRO 56 -13.898 -9.370 10.437 427 HD2 PRO 56 HD2 PRO 56 -11.447 -8.837 9.366 428 HD3 PRO 56 HD3 PRO 56 -12.135 -10.488 9.288 429 H GLU 57 HN GLU 57 -11.880 -7.122 7.057 430 HA GLU 57 HA GLU 57 -13.512 -5.271 5.446 431 HB2 GLU 57 HB2 GLU 57 -12.743 -4.847 8.356 432 HB3 GLU 57 HB3 GLU 57 -12.838 -3.480 7.242 433 HG2 GLU 57 HG2 GLU 57 -15.152 -4.167 6.591 434 HG3 GLU 57 HG3 GLU 57 -15.103 -5.354 7.932 435 HA PRO 58 HA PRO 58 -9.697 -4.169 3.785 436 HB2 PRO 58 HB2 PRO 58 -9.801 -1.364 3.641 437 HB3 PRO 58 HB3 PRO 58 -10.390 -2.539 2.438 438 HG2 PRO 58 HG2 PRO 58 -11.929 -1.053 4.536 439 HG3 PRO 58 HG3 PRO 58 -12.437 -1.552 2.883 440 HD2 PRO 58 HD2 PRO 58 -13.245 -2.887 5.120 441 HD3 PRO 58 HD3 PRO 58 -12.898 -3.734 3.586 442 HA PRO 59 HA PRO 59 -6.870 -2.846 6.994 443 HB2 PRO 59 HB2 PRO 59 -4.668 -2.261 5.552 444 HB3 PRO 59 HB3 PRO 59 -5.264 -3.931 5.827 445 HG2 PRO 59 HG2 PRO 59 -5.653 -2.267 3.370 446 HG3 PRO 59 HG3 PRO 59 -5.174 -3.995 3.494 447 HD2 PRO 59 HD2 PRO 59 -7.746 -3.186 3.032 448 HD3 PRO 59 HD3 PRO 59 -7.363 -4.656 3.971 449 H ASP 60 HN ASP 60 -7.464 -0.970 7.947 450 HA ASP 60 HA ASP 60 -7.679 1.554 6.435 451 HB2 ASP 60 HB2 ASP 60 -9.286 0.840 8.272 452 HB3 ASP 60 HB3 ASP 60 -8.007 1.208 9.443 453 H PHE 61 HN PHE 61 -5.545 2.026 5.774 454 HA PHE 61 HA PHE 61 -3.375 1.986 7.780 455 HB2 PHE 61 HB2 PHE 61 -3.393 3.003 4.941 456 HB3 PHE 61 HB3 PHE 61 -1.972 2.705 5.940 457 HD1 PHE 61 HD2 PHE 61 -1.385 0.271 6.576 458 HD2 PHE 61 HD1 PHE 61 -4.316 1.317 3.579 459 HE1 PHE 61 HE2 PHE 61 -1.145 -1.979 5.530 460 HE2 PHE 61 HE1 PHE 61 -4.068 -0.880 2.553 461 HZ PHE 61 HZ PHE 61 -2.519 -2.567 3.525 462 H ILE 62 HN ILE 62 -5.628 4.397 6.505 463 HA ILE 62 HA ILE 62 -3.940 6.682 7.077 464 HB ILE 62 HB ILE 62 -6.967 6.481 6.886 465 HG12 ILE 62 HG12 ILE 62 -5.926 5.839 4.783 466 HG13 ILE 62 HG13 ILE 62 -6.816 7.331 4.629 467 HG21 ILE 62 HG21 ILE 62 -5.181 8.951 6.918 468 HG22 ILE 62 HG22 ILE 62 -6.870 8.945 6.380 469 HG23 ILE 62 HG23 ILE 62 -6.488 8.527 8.048 470 HD11 ILE 62 HD11 ILE 62 -4.732 7.398 3.355 471 HD12 ILE 62 HD12 ILE 62 -4.690 8.618 4.634 472 HD13 ILE 62 HD13 ILE 62 -3.781 7.094 4.817 473 H ALA 63 HN ALA 63 -6.407 4.832 8.922 474 HA ALA 63 HA ALA 63 -6.011 6.675 11.206 475 HB1 ALA 63 HB1 ALA 63 -8.214 5.967 11.840 476 HB2 ALA 63 HB2 ALA 63 -8.200 6.420 10.134 477 HB3 ALA 63 HB3 ALA 63 -8.218 4.686 10.584 478 H SER 64 HN SER 64 -5.897 3.166 10.451 479 HA SER 64 HA SER 64 -5.270 2.588 13.300 480 HB2 SER 64 HB2 SER 64 -7.294 1.609 11.926 481 HB3 SER 64 HB3 SER 64 -6.071 0.549 11.231 482 HG SER 64 HG SER 64 -7.173 -0.186 13.182 483 H ARG 65 HN ARG 65 -3.830 0.359 13.259 484 HA ARG 65 HA ARG 65 -2.139 0.335 10.943 485 HB2 ARG 65 HB2 ARG 65 0.075 0.532 12.145 486 HB3 ARG 65 HB3 ARG 65 -0.861 1.997 12.049 487 HG2 ARG 65 HG2 ARG 65 0.109 2.006 14.167 488 HG3 ARG 65 HG3 ARG 65 -1.583 1.659 14.458 489 HD2 ARG 65 HD2 ARG 65 -1.055 -0.737 14.760 490 HD3 ARG 65 HD3 ARG 65 0.636 -0.443 14.328 491 HE ARG 65 HE ARG 65 -0.681 -0.137 16.863 492 HH11 ARG 65 HH11 ARG 65 2.019 1.377 15.004 493 HH12 ARG 65 HH12 ARG 65 2.914 1.679 16.469 494 HH21 ARG 65 HH21 ARG 65 0.788 -0.029 18.638 495 HH22 ARG 65 HH22 ARG 65 2.287 0.855 18.440 496 HA PRO 66 HA PRO 66 -2.356 -3.838 12.984 497 HB2 PRO 66 HB2 PRO 66 -4.427 -5.061 11.626 498 HB3 PRO 66 HB3 PRO 66 -4.610 -4.228 13.196 499 HG2 PRO 66 HG2 PRO 66 -5.181 -3.117 10.434 500 HG3 PRO 66 HG3 PRO 66 -6.191 -3.005 11.905 501 HD2 PRO 66 HD2 PRO 66 -4.563 -0.994 11.088 502 HD3 PRO 66 HD3 PRO 66 -4.775 -1.385 12.824 503 H ALA 67 HN ALA 67 -3.410 -3.126 9.611 504 HA ALA 67 HA ALA 67 -2.065 -5.379 8.517 505 HB1 ALA 67 HB1 ALA 67 -3.948 -4.357 7.438 506 HB2 ALA 67 HB2 ALA 67 -3.062 -2.835 7.193 507 HB3 ALA 67 HB3 ALA 67 -2.568 -4.312 6.331 508 H THR 68 HN THR 68 -0.789 -2.192 9.322 509 HA THR 68 HA THR 68 1.329 -1.904 7.615 510 HB THR 68 HB THR 68 1.410 -1.470 10.630 511 HG1 THR 68 HG1 THR 68 0.267 0.497 10.087 512 HG21 THR 68 HG21 THR 68 2.335 0.290 8.328 513 HG22 THR 68 HG22 THR 68 3.414 -0.780 9.262 514 HG23 THR 68 HG23 THR 68 2.593 0.572 10.064 515 H VAL 69 HN VAL 69 1.039 -4.166 10.365 516 HA VAL 69 HA VAL 69 3.780 -5.073 10.294 517 HB VAL 69 HB VAL 69 1.302 -6.401 11.484 518 HG11 VAL 69 HG11 VAL 69 2.930 -7.342 13.115 519 HG12 VAL 69 HG12 VAL 69 3.297 -7.866 11.470 520 HG13 VAL 69 HG13 VAL 69 4.261 -6.573 12.237 521 HG21 VAL 69 HG21 VAL 69 1.359 -4.121 12.361 522 HG22 VAL 69 HG22 VAL 69 1.988 -5.195 13.589 523 HG23 VAL 69 HG23 VAL 69 3.119 -4.251 12.626 524 H LYS 70 HN LYS 70 0.706 -6.129 8.919 525 HA LYS 70 HA LYS 70 1.536 -8.616 7.793 526 HB2 LYS 70 HB2 LYS 70 -0.815 -7.533 8.318 527 HB3 LYS 70 HB3 LYS 70 -0.689 -6.841 6.703 528 HG2 LYS 70 HG2 LYS 70 -0.624 -9.071 5.716 529 HG3 LYS 70 HG3 LYS 70 -0.464 -9.799 7.323 530 HD2 LYS 70 HD2 LYS 70 -2.697 -9.004 7.976 531 HD3 LYS 70 HD3 LYS 70 -2.891 -8.226 6.413 532 HE2 LYS 70 HE2 LYS 70 -4.067 -10.241 6.182 533 HE3 LYS 70 HE3 LYS 70 -2.535 -10.563 5.341 534 HZ1 LYS 70 HZ1 LYS 70 -3.221 -12.338 6.769 535 HZ2 LYS 70 HZ2 LYS 70 -3.164 -11.446 8.120 536 HZ3 LYS 70 HZ3 LYS 70 -1.779 -11.761 7.242 537 H LEU 71 HN LEU 71 1.293 -5.297 6.406 538 HA LEU 71 HA LEU 71 2.434 -5.811 3.876 539 HB2 LEU 71 HB2 LEU 71 2.997 -3.349 5.588 540 HB3 LEU 71 HB3 LEU 71 3.262 -3.501 3.866 541 HG LEU 71 HG LEU 71 0.616 -3.455 5.201 542 HD11 LEU 71 HD11 LEU 71 0.498 -1.177 4.010 543 HD12 LEU 71 HD12 LEU 71 2.202 -1.384 3.622 544 HD13 LEU 71 HD13 LEU 71 1.694 -1.275 5.320 545 HD21 LEU 71 HD21 LEU 71 -0.501 -3.416 3.189 546 HD22 LEU 71 HD22 LEU 71 0.652 -4.738 3.003 547 HD23 LEU 71 HD23 LEU 71 0.953 -3.151 2.251 548 H THR 72 HN THR 72 4.049 -5.148 7.030 549 HA THR 72 HA THR 72 6.648 -4.823 6.001 550 HB THR 72 HB THR 72 5.613 -5.680 8.732 551 HG1 THR 72 HG1 THR 72 5.043 -3.628 8.238 552 HG21 THR 72 HG21 THR 72 7.879 -6.471 8.655 553 HG22 THR 72 HG22 THR 72 7.862 -4.967 9.579 554 HG23 THR 72 HG23 THR 72 8.444 -4.976 7.890 555 H ARG 73 HN ARG 73 4.844 -7.818 6.867 556 HA ARG 73 HA ARG 73 7.124 -9.476 6.776 557 HB2 ARG 73 HB2 ARG 73 4.326 -10.295 5.943 558 HB3 ARG 73 HB3 ARG 73 5.638 -11.325 6.522 559 HG2 ARG 73 HG2 ARG 73 5.449 -9.689 8.669 560 HG3 ARG 73 HG3 ARG 73 3.808 -9.489 8.036 561 HD2 ARG 73 HD2 ARG 73 5.151 -11.994 9.038 562 HD3 ARG 73 HD3 ARG 73 3.697 -11.174 9.666 563 HE ARG 73 HE ARG 73 3.168 -11.860 7.002 564 HH11 ARG 73 HH11 ARG 73 3.779 -13.651 9.999 565 HH12 ARG 73 HH12 ARG 73 2.939 -15.074 9.467 566 HH21 ARG 73 HH21 ARG 73 2.314 -13.762 6.221 567 HH22 ARG 73 HH22 ARG 73 2.110 -15.164 7.231 568 H SER 74 HN SER 74 5.106 -8.202 4.173 569 HA SER 74 HA SER 74 6.598 -9.618 2.059 570 HB2 SER 74 HB2 SER 74 4.087 -7.935 2.221 571 HB3 SER 74 HB3 SER 74 4.917 -8.125 0.669 572 HG SER 74 HG SER 74 4.681 -10.215 0.689 573 H ILE 75 HN ILE 75 7.543 -7.074 3.902 574 HA ILE 75 HA ILE 75 8.938 -5.846 1.558 575 HB ILE 75 HB ILE 75 8.512 -4.594 4.277 576 HG12 ILE 75 HG12 ILE 75 7.330 -3.661 1.615 577 HG13 ILE 75 HG13 ILE 75 6.434 -4.674 2.722 578 HG21 ILE 75 HG21 ILE 75 10.671 -4.033 3.015 579 HG22 ILE 75 HG22 ILE 75 9.667 -3.399 1.709 580 HG23 ILE 75 HG23 ILE 75 9.625 -2.641 3.316 581 HD11 ILE 75 HD11 ILE 75 6.686 -2.982 4.526 582 HD12 ILE 75 HD12 ILE 75 7.463 -1.889 3.351 583 HD13 ILE 75 HD13 ILE 75 5.785 -2.404 3.115 584 HA PRO 76 HA PRO 76 11.674 -8.808 3.895 585 HB2 PRO 76 HB2 PRO 76 13.060 -9.823 1.779 586 HB3 PRO 76 HB3 PRO 76 11.350 -10.279 2.054 587 HG2 PRO 76 HG2 PRO 76 12.283 -8.124 0.229 588 HG3 PRO 76 HG3 PRO 76 11.276 -9.560 -0.154 589 HD2 PRO 76 HD2 PRO 76 10.016 -7.271 0.487 590 HD3 PRO 76 HD3 PRO 76 9.472 -8.797 1.225 591 H ALA 77 HN ALA 77 14.232 -8.857 3.838 592 HA ALA 77 HA ALA 77 15.155 -6.251 4.447 593 HB1 ALA 77 HB1 ALA 77 17.329 -7.281 4.717 594 HB2 ALA 77 HB2 ALA 77 16.071 -8.283 5.458 595 HB3 ALA 77 HB3 ALA 77 16.781 -8.754 3.896 596 HA PRO 78 HA PRO 78 17.364 -6.197 0.154 597 HB2 PRO 78 HB2 PRO 78 15.989 -7.513 -1.913 598 HB3 PRO 78 HB3 PRO 78 17.444 -8.126 -1.087 599 HG2 PRO 78 HG2 PRO 78 14.549 -8.750 -0.476 600 HG3 PRO 78 HG3 PRO 78 15.926 -9.892 -0.573 601 HD2 PRO 78 HD2 PRO 78 15.106 -9.112 1.783 602 HD3 PRO 78 HD3 PRO 78 16.852 -9.118 1.461 603 H TYR 79 HN TYR 79 13.911 -6.085 0.766 604 HA TYR 79 HA TYR 79 13.540 -4.129 -1.424 605 HB2 TYR 79 HB2 TYR 79 11.696 -6.027 -0.026 606 HB3 TYR 79 HB3 TYR 79 11.108 -4.854 -1.145 607 HD1 TYR 79 HD2 TYR 79 13.985 -5.414 -2.856 608 HD2 TYR 79 HD1 TYR 79 10.502 -7.739 -1.642 609 HE1 TYR 79 HE2 TYR 79 14.332 -6.822 -4.675 610 HE2 TYR 79 HE1 TYR 79 10.758 -9.097 -3.738 611 HH TYR 79 HH TYR 79 13.519 -8.595 -5.958 612 H LYS 80 HN LYS 80 14.375 -3.769 1.591 613 HA LYS 80 HA LYS 80 12.322 -2.209 2.815 614 HB2 LYS 80 HB2 LYS 80 15.354 -1.991 3.100 615 HB3 LYS 80 HB3 LYS 80 14.184 -1.227 4.189 616 HG2 LYS 80 HG2 LYS 80 14.373 -4.241 3.735 617 HG3 LYS 80 HG3 LYS 80 15.188 -3.390 5.038 618 HD2 LYS 80 HD2 LYS 80 13.045 -2.674 5.956 619 HD3 LYS 80 HD3 LYS 80 12.176 -3.388 4.588 620 HE2 LYS 80 HE2 LYS 80 13.140 -5.628 5.221 621 HE3 LYS 80 HE3 LYS 80 13.797 -4.882 6.683 622 HZ1 LYS 80 HZ1 LYS 80 11.357 -4.125 6.991 623 HZ2 LYS 80 HZ2 LYS 80 11.732 -5.693 7.355 624 HZ3 LYS 80 HZ3 LYS 80 11.008 -5.333 5.931 625 H GLN 81 HN GLN 81 15.099 -1.106 0.801 626 HA GLN 81 HA GLN 81 14.047 1.637 1.066 627 HB2 GLN 81 HB2 GLN 81 16.707 0.645 -0.011 628 HB3 GLN 81 HB3 GLN 81 16.230 2.320 0.331 629 HG2 GLN 81 HG2 GLN 81 15.733 1.471 2.747 630 HG3 GLN 81 HG3 GLN 81 16.757 0.102 2.294 631 HE21 GLN 81 HE21 GLN 81 19.066 0.617 1.660 632 HE22 GLN 81 HE22 GLN 81 19.762 2.131 2.164 633 H LEU 82 HN LEU 82 12.661 -0.248 -0.768 634 HA LEU 82 HA LEU 82 13.559 0.243 -3.355 635 HB2 LEU 82 HB2 LEU 82 10.817 -0.565 -2.495 636 HB3 LEU 82 HB3 LEU 82 11.411 -0.497 -4.193 637 HG LEU 82 HG LEU 82 12.648 -2.191 -2.027 638 HD11 LEU 82 HD11 LEU 82 10.644 -2.983 -4.165 639 HD12 LEU 82 HD12 LEU 82 10.406 -2.990 -2.413 640 HD13 LEU 82 HD13 LEU 82 11.548 -4.107 -3.197 641 HD21 LEU 82 HD21 LEU 82 14.349 -2.427 -3.385 642 HD22 LEU 82 HD22 LEU 82 13.573 -1.568 -4.724 643 HD23 LEU 82 HD23 LEU 82 13.312 -3.323 -4.487 644 H LEU 83 HN LEU 83 11.534 2.059 -1.319 645 HA LEU 83 HA LEU 83 10.320 4.015 -3.072 646 HB2 LEU 83 HB2 LEU 83 10.713 3.493 -0.171 647 HB3 LEU 83 HB3 LEU 83 10.869 5.179 -0.510 648 HG LEU 83 HG LEU 83 8.465 3.474 -1.240 649 HD11 LEU 83 HD11 LEU 83 8.903 5.555 0.966 650 HD12 LEU 83 HD12 LEU 83 8.791 3.796 1.195 651 HD13 LEU 83 HD13 LEU 83 7.380 4.704 0.608 652 HD21 LEU 83 HD21 LEU 83 8.983 6.474 -1.485 653 HD22 LEU 83 HD22 LEU 83 7.383 5.716 -1.584 654 HD23 LEU 83 HD23 LEU 83 8.603 5.337 -2.795 655 H LYS 84 HN LYS 84 13.626 3.553 -2.427 656 HA LYS 84 HA LYS 84 14.158 6.423 -3.021 657 HB2 LYS 84 HB2 LYS 84 16.410 4.921 -1.902 658 HB3 LYS 84 HB3 LYS 84 15.834 6.591 -1.685 659 HG2 LYS 84 HG2 LYS 84 13.976 5.639 -0.227 660 HG3 LYS 84 HG3 LYS 84 14.841 4.125 -0.251 661 HD2 LYS 84 HD2 LYS 84 16.861 5.122 0.673 662 HD3 LYS 84 HD3 LYS 84 16.144 6.757 0.599 663 HE2 LYS 84 HE2 LYS 84 14.558 6.279 2.298 664 HE3 LYS 84 HE3 LYS 84 14.889 4.530 2.256 665 HZ1 LYS 84 HZ1 LYS 84 16.979 6.490 2.949 666 HZ2 LYS 84 HZ2 LYS 84 16.993 4.876 3.174 667 HZ3 LYS 84 HZ3 LYS 84 16.013 5.839 4.106 668 H GLU 85 HN GLU 85 14.928 3.065 -3.643 669 HA GLU 85 HA GLU 85 17.156 3.550 -5.443 670 HB2 GLU 85 HB2 GLU 85 17.329 1.194 -5.547 671 HB3 GLU 85 HB3 GLU 85 16.649 1.731 -3.994 672 HG2 GLU 85 HG2 GLU 85 14.510 1.101 -4.761 673 HG3 GLU 85 HG3 GLU 85 15.359 0.621 -6.238 674 H GLU 86 HN GLU 86 13.823 2.875 -5.860 675 HA GLU 86 HA GLU 86 14.047 3.093 -8.875 676 HB2 GLU 86 HB2 GLU 86 11.761 2.116 -7.124 677 HB3 GLU 86 HB3 GLU 86 11.730 2.255 -8.883 678 HG2 GLU 86 HG2 GLU 86 14.094 0.872 -8.450 679 HG3 GLU 86 HG3 GLU 86 13.093 0.271 -7.126 680 H LEU 87 HN LEU 87 13.237 4.829 -6.214 681 HA LEU 87 HA LEU 87 11.815 6.944 -7.776 682 HB2 LEU 87 HB2 LEU 87 11.217 5.925 -5.012 683 HB3 LEU 87 HB3 LEU 87 10.756 7.532 -5.551 684 HG LEU 87 HG LEU 87 9.854 6.127 -7.637 685 HD11 LEU 87 HD11 LEU 87 8.774 4.155 -7.043 686 HD12 LEU 87 HD12 LEU 87 9.463 4.200 -5.389 687 HD13 LEU 87 HD13 LEU 87 10.502 4.015 -6.841 688 HD21 LEU 87 HD21 LEU 87 7.600 6.154 -6.650 689 HD22 LEU 87 HD22 LEU 87 8.409 7.603 -6.131 690 HD23 LEU 87 HD23 LEU 87 8.271 6.236 -4.993 691 H GLY 88 HN GLY 88 13.016 7.126 -4.456 692 HA2 GLY 88 HA2 GLY 88 15.279 8.258 -4.156 693 HA3 GLY 88 HA1 GLY 88 14.692 9.483 -5.265 694 H PHE 89 HN PHE 89 12.299 8.166 -3.031 695 HA PHE 89 HA PHE 89 12.298 10.685 -1.553 696 HB2 PHE 89 HB2 PHE 89 10.203 9.880 -2.121 697 HB3 PHE 89 HB3 PHE 89 10.548 8.229 -1.564 698 HD1 PHE 89 HD2 PHE 89 9.905 11.747 -0.494 699 HD2 PHE 89 HD1 PHE 89 9.977 7.601 0.648 700 HE1 PHE 89 HE2 PHE 89 8.601 12.298 1.533 701 HE2 PHE 89 HE1 PHE 89 8.648 8.122 2.655 702 HZ PHE 89 HZ PHE 89 7.958 10.490 3.130 703 H ALA 90 HN ALA 90 12.307 10.483 0.886 704 HA ALA 90 HA ALA 90 14.095 8.327 1.890 705 HB1 ALA 90 HB1 ALA 90 15.578 10.167 1.545 706 HB2 ALA 90 HB2 ALA 90 14.410 11.329 2.207 707 HB3 ALA 90 HB3 ALA 90 15.178 10.149 3.282 708 H GLY 91 HN GLY 91 12.432 11.268 3.181 709 HA2 GLY 91 HA2 GLY 91 10.221 9.930 4.330 710 HA3 GLY 91 HA1 GLY 91 11.450 10.285 5.555 711 H TYR 92 HN TYR 92 8.860 11.590 5.462 712 HA TYR 92 HA TYR 92 9.149 14.218 4.355 713 HB2 TYR 92 HB2 TYR 92 7.400 13.163 6.619 714 HB3 TYR 92 HB3 TYR 92 7.239 14.735 5.891 715 HD1 TYR 92 HD2 TYR 92 6.753 14.958 3.403 716 HD2 TYR 92 HD1 TYR 92 6.394 11.230 5.550 717 HE1 TYR 92 HE2 TYR 92 5.179 14.106 1.682 718 HE2 TYR 92 HE1 TYR 92 4.891 10.357 3.810 719 HH TYR 92 HH TYR 92 3.753 10.840 1.797 720 H SER 93 HN SER 93 9.591 16.135 5.325 721 HA SER 93 HA SER 93 11.587 16.312 7.396 722 HB2 SER 93 HB2 SER 93 9.960 18.190 5.759 723 HB3 SER 93 HB3 SER 93 10.577 18.838 7.208 724 HG SER 93 HG SER 93 12.080 17.507 5.181 725 H ILE 94 HN ILE 94 11.257 17.854 9.084 726 HA ILE 94 HA ILE 94 9.437 16.639 11.009 727 HB ILE 94 HB ILE 94 11.564 17.265 11.822 728 HG12 ILE 94 HG12 ILE 94 10.945 18.688 13.802 729 HG13 ILE 94 HG13 ILE 94 9.385 19.011 13.074 730 HG21 ILE 94 HG21 ILE 94 12.150 19.101 10.395 731 HG22 ILE 94 HG22 ILE 94 10.935 20.153 11.178 732 HG23 ILE 94 HG23 ILE 94 12.343 19.560 12.082 733 HD11 ILE 94 HD11 ILE 94 9.370 17.098 14.730 734 HD12 ILE 94 HD12 ILE 94 8.800 16.635 13.126 735 HD13 ILE 94 HD13 ILE 94 10.441 16.207 13.663 736 H ASN 95 HN ASN 95 9.555 19.726 9.344 737 HA ASN 95 HA ASN 95 7.278 20.823 10.630 738 HB2 ASN 95 HB2 ASN 95 7.264 22.499 8.914 739 HB3 ASN 95 HB3 ASN 95 8.933 22.186 9.366 740 HD21 ASN 95 HD21 ASN 95 10.408 21.447 7.718 741 HD22 ASN 95 HD22 ASN 95 9.834 21.282 6.067 742 H GLU 96 HN GLU 96 7.447 18.315 8.285 743 HA GLU 96 HA GLU 96 4.631 18.674 7.516 744 HB2 GLU 96 HB2 GLU 96 5.203 17.297 5.493 745 HB3 GLU 96 HB3 GLU 96 5.666 19.011 5.623 746 HG2 GLU 96 HG2 GLU 96 7.799 18.555 6.151 747 HG3 GLU 96 HG3 GLU 96 7.559 16.805 6.267 748 H LEU 97 HN LEU 97 6.338 16.983 9.718 749 HA LEU 97 HA LEU 97 5.613 14.305 8.968 750 HB2 LEU 97 HB2 LEU 97 7.382 15.627 10.912 751 HB3 LEU 97 HB3 LEU 97 6.555 14.290 11.656 752 HG LEU 97 HG LEU 97 8.093 14.066 9.040 753 HD11 LEU 97 HD11 LEU 97 9.630 14.534 10.873 754 HD12 LEU 97 HD12 LEU 97 9.777 12.849 10.390 755 HD13 LEU 97 HD13 LEU 97 8.876 13.275 11.871 756 HD21 LEU 97 HD21 LEU 97 7.927 11.636 9.472 757 HD22 LEU 97 HD22 LEU 97 6.353 12.352 9.199 758 HD23 LEU 97 HD23 LEU 97 6.854 11.958 10.855 759 H VAL 98 HN VAL 98 3.351 14.772 8.753 760 HA VAL 98 HA VAL 98 1.804 14.715 11.277 761 HB VAL 98 HB VAL 98 -0.164 14.973 9.833 762 HG11 VAL 98 HG11 VAL 98 1.189 16.967 10.533 763 HG12 VAL 98 HG12 VAL 98 2.012 16.900 8.960 764 HG13 VAL 98 HG13 VAL 98 0.263 17.198 9.041 765 HG21 VAL 98 HG21 VAL 98 0.108 15.450 7.390 766 HG22 VAL 98 HG22 VAL 98 1.792 14.914 7.506 767 HG23 VAL 98 HG23 VAL 98 0.469 13.777 7.797 768 HA PRO 99 HA PRO 99 1.292 10.309 11.050 769 HB2 PRO 99 HB2 PRO 99 -1.238 9.921 12.077 770 HB3 PRO 99 HB3 PRO 99 0.207 10.311 13.055 771 HG2 PRO 99 HG2 PRO 99 -1.927 12.201 12.025 772 HG3 PRO 99 HG3 PRO 99 -1.224 12.110 13.674 773 HD2 PRO 99 HD2 PRO 99 -0.358 13.939 11.870 774 HD3 PRO 99 HD3 PRO 99 0.795 13.126 12.968 775 H ARG 100 HN ARG 100 -0.678 12.473 9.211 776 HA ARG 100 HA ARG 100 -2.133 10.364 7.742 777 HB2 ARG 100 HB2 ARG 100 -1.885 13.375 7.349 778 HB3 ARG 100 HB3 ARG 100 -2.922 12.335 6.378 779 HG2 ARG 100 HG2 ARG 100 -4.511 12.110 7.996 780 HG3 ARG 100 HG3 ARG 100 -3.344 12.039 9.318 781 HD2 ARG 100 HD2 ARG 100 -2.957 14.488 9.111 782 HD3 ARG 100 HD3 ARG 100 -4.212 14.562 7.872 783 HE ARG 100 HE ARG 100 -4.520 14.131 10.781 784 HH11 ARG 100 HH11 ARG 100 -6.156 14.177 7.610 785 HH12 ARG 100 HH12 ARG 100 -7.735 14.287 8.280 786 HH21 ARG 100 HH21 ARG 100 -6.525 14.347 11.664 787 HH22 ARG 100 HH22 ARG 100 -7.945 14.640 10.684 788 H LYS 101 HN LYS 101 0.991 11.808 7.602 789 HA LYS 101 HA LYS 101 1.375 11.174 4.725 790 HB2 LYS 101 HB2 LYS 101 2.699 12.964 6.769 791 HB3 LYS 101 HB3 LYS 101 3.675 12.296 5.504 792 HG2 LYS 101 HG2 LYS 101 2.267 13.256 3.758 793 HG3 LYS 101 HG3 LYS 101 1.158 13.925 4.969 794 HD2 LYS 101 HD2 LYS 101 2.660 15.589 5.640 795 HD3 LYS 101 HD3 LYS 101 4.063 14.606 5.236 796 HE2 LYS 101 HE2 LYS 101 4.170 16.318 3.725 797 HE3 LYS 101 HE3 LYS 101 3.487 14.982 2.788 798 HZ1 LYS 101 HZ1 LYS 101 2.004 17.312 3.875 799 HZ2 LYS 101 HZ2 LYS 101 1.290 16.065 3.066 800 HZ3 LYS 101 HZ3 LYS 101 2.394 16.997 2.314 801 H THR 102 HN THR 102 2.630 10.399 8.063 802 HA THR 102 HA THR 102 4.807 8.905 7.258 803 HB THR 102 HB THR 102 4.528 7.791 9.509 804 HG1 THR 102 HG1 THR 102 2.807 8.059 10.629 805 HG21 THR 102 HG21 THR 102 5.778 9.884 9.308 806 HG22 THR 102 HG22 THR 102 4.885 9.824 10.840 807 HG23 THR 102 HG23 THR 102 4.282 10.828 9.503 808 H ARG 103 HN ARG 103 1.489 7.643 7.879 809 HA ARG 103 HA ARG 103 2.321 4.910 7.391 810 HB2 ARG 103 HB2 ARG 103 -0.458 6.144 7.470 811 HB3 ARG 103 HB3 ARG 103 -0.123 4.409 7.437 812 HG2 ARG 103 HG2 ARG 103 0.885 4.435 9.600 813 HG3 ARG 103 HG3 ARG 103 1.095 6.188 9.582 814 HD2 ARG 103 HD2 ARG 103 -1.468 6.349 9.488 815 HD3 ARG 103 HD3 ARG 103 -1.463 4.651 10.018 816 HE ARG 103 HE ARG 103 0.187 5.630 11.819 817 HH11 ARG 103 HH11 ARG 103 -2.873 7.112 10.709 818 HH12 ARG 103 HH12 ARG 103 -3.037 8.107 12.112 819 HH21 ARG 103 HH21 ARG 103 0.012 7.038 13.589 820 HH22 ARG 103 HH22 ARG 103 -1.515 7.810 13.911 821 H ARG 104 HN ARG 104 0.795 7.394 5.329 822 HA ARG 104 HA ARG 104 0.583 5.885 2.966 823 HB2 ARG 104 HB2 ARG 104 0.711 8.756 3.672 824 HB3 ARG 104 HB3 ARG 104 1.392 8.394 2.092 825 HG2 ARG 104 HG2 ARG 104 -0.635 7.193 1.425 826 HG3 ARG 104 HG3 ARG 104 -1.386 7.516 2.988 827 HD2 ARG 104 HD2 ARG 104 -0.355 9.787 1.238 828 HD3 ARG 104 HD3 ARG 104 -1.906 9.051 0.912 829 HE ARG 104 HE ARG 104 -1.182 10.416 3.481 830 HH11 ARG 104 HH11 ARG 104 -3.732 9.686 1.025 831 HH12 ARG 104 HH12 ARG 104 -4.759 10.897 1.702 832 HH21 ARG 104 HH21 ARG 104 -2.597 12.065 4.090 833 HH22 ARG 104 HH22 ARG 104 -4.222 12.075 3.461 834 H ALA 105 HN ALA 105 3.586 7.346 4.337 835 HA ALA 105 HA ALA 105 5.209 6.536 2.126 836 HB1 ALA 105 HB1 ALA 105 6.035 8.059 3.899 837 HB2 ALA 105 HB2 ALA 105 6.051 6.700 5.049 838 HB3 ALA 105 HB3 ALA 105 7.105 6.663 3.637 839 H THR 106 HN THR 106 4.337 4.745 5.166 840 HA THR 106 HA THR 106 5.747 2.399 4.585 841 HB THR 106 HB THR 106 3.021 2.464 5.940 842 HG1 THR 106 HG1 THR 106 5.502 3.239 7.116 843 HG21 THR 106 HG21 THR 106 5.506 0.762 6.111 844 HG22 THR 106 HG22 THR 106 3.842 0.265 5.786 845 HG23 THR 106 HG23 THR 106 4.306 0.782 7.417 846 H MET 107 HN MET 107 2.410 3.324 3.651 847 HA MET 107 HA MET 107 1.645 0.920 2.373 848 HB2 MET 107 HB2 MET 107 0.877 3.817 1.843 849 HB3 MET 107 HB3 MET 107 0.053 2.421 1.162 850 HG2 MET 107 HG2 MET 107 -0.916 1.811 3.190 851 HG3 MET 107 HG3 MET 107 0.339 2.581 4.145 852 HE1 MET 107 HE1 MET 107 -2.203 3.975 1.293 853 HE2 MET 107 HE2 MET 107 -3.082 2.937 2.430 854 HE3 MET 107 HE3 MET 107 -3.387 4.686 2.404 855 H THR 108 HN THR 108 3.112 3.917 0.972 856 HA THR 108 HA THR 108 3.339 2.969 -1.665 857 HB THR 108 HB THR 108 5.416 4.782 -0.411 858 HG1 THR 108 HG1 THR 108 3.260 5.490 0.225 859 HG21 THR 108 HG21 THR 108 5.243 5.902 -2.631 860 HG22 THR 108 HG22 THR 108 4.016 4.728 -3.128 861 HG23 THR 108 HG23 THR 108 5.681 4.196 -2.809 862 H ASN 109 HN ASN 109 5.631 2.583 1.070 863 HA ASN 109 HA ASN 109 7.739 1.372 -0.333 864 HB2 ASN 109 HB2 ASN 109 7.505 2.121 2.167 865 HB3 ASN 109 HB3 ASN 109 6.880 0.511 2.459 866 HD21 ASN 109 HD21 ASN 109 8.944 -0.703 0.352 867 HD22 ASN 109 HD22 ASN 109 10.447 -0.543 1.248 868 H TRP 110 HN TRP 110 4.707 -0.068 0.850 869 HA TRP 110 HA TRP 110 5.532 -2.816 0.350 870 HB2 TRP 110 HB2 TRP 110 3.797 -2.324 1.984 871 HB3 TRP 110 HB3 TRP 110 2.804 -1.545 0.763 872 HD1 TRP 110 HD1 TRP 110 3.664 -4.967 2.118 873 HE1 TRP 110 HE1 TRP 110 2.224 -6.780 0.890 874 HE3 TRP 110 HE3 TRP 110 1.226 -1.965 -1.178 875 HZ2 TRP 110 HZ2 TRP 110 0.280 -6.841 -1.194 876 HZ3 TRP 110 HZ3 TRP 110 -0.637 -2.850 -2.535 877 HH2 TRP 110 HH2 TRP 110 -1.070 -5.311 -2.621 878 H LEU 111 HN LEU 111 3.844 -0.268 -1.587 879 HA LEU 111 HA LEU 111 2.953 -1.999 -3.635 880 HB2 LEU 111 HB2 LEU 111 3.615 0.953 -3.624 881 HB3 LEU 111 HB3 LEU 111 3.229 0.129 -5.112 882 HG LEU 111 HG LEU 111 1.222 -0.616 -3.157 883 HD11 LEU 111 HD11 LEU 111 1.652 1.441 -1.975 884 HD12 LEU 111 HD12 LEU 111 0.133 1.595 -2.864 885 HD13 LEU 111 HD13 LEU 111 1.589 2.383 -3.478 886 HD21 LEU 111 HD21 LEU 111 -0.326 0.172 -4.809 887 HD22 LEU 111 HD22 LEU 111 1.009 -0.604 -5.664 888 HD23 LEU 111 HD23 LEU 111 0.911 1.166 -5.607 889 H LEU 112 HN LEU 112 6.164 -0.399 -3.330 890 HA LEU 112 HA LEU 112 7.210 -1.412 -5.768 891 HB2 LEU 112 HB2 LEU 112 8.588 -0.862 -3.098 892 HB3 LEU 112 HB3 LEU 112 9.392 -1.292 -4.588 893 HG LEU 112 HG LEU 112 9.741 0.956 -4.328 894 HD11 LEU 112 HD11 LEU 112 7.604 0.636 -6.442 895 HD12 LEU 112 HD12 LEU 112 9.324 0.266 -6.612 896 HD13 LEU 112 HD13 LEU 112 8.799 1.926 -6.368 897 HD21 LEU 112 HD21 LEU 112 6.824 1.429 -3.906 898 HD22 LEU 112 HD22 LEU 112 8.071 2.677 -4.042 899 HD23 LEU 112 HD23 LEU 112 8.127 1.517 -2.694 900 H ALA 113 HN ALA 113 7.267 -2.811 -2.460 901 HA ALA 113 HA ALA 113 8.842 -5.084 -3.240 902 HB1 ALA 113 HB1 ALA 113 8.719 -4.151 -0.916 903 HB2 ALA 113 HB2 ALA 113 7.055 -4.772 -0.795 904 HB3 ALA 113 HB3 ALA 113 8.415 -5.899 -1.008 905 H TYR 114 HN TYR 114 5.396 -4.474 -3.215 906 HA TYR 114 HA TYR 114 4.401 -7.123 -3.829 907 HB2 TYR 114 HB2 TYR 114 2.865 -5.512 -3.072 908 HB3 TYR 114 HB3 TYR 114 3.440 -4.285 -4.185 909 HD1 TYR 114 HD1 TYR 114 2.782 -4.250 -6.558 910 HD2 TYR 114 HD2 TYR 114 1.274 -7.254 -3.837 911 HE1 TYR 114 HE1 TYR 114 1.057 -4.873 -8.197 912 HE2 TYR 114 HE2 TYR 114 -0.418 -7.905 -5.520 913 HH TYR 114 HH TYR 114 -0.185 -7.024 -8.763 914 H ARG 115 HN ARG 115 5.277 -4.268 -5.955 915 HA ARG 115 HA ARG 115 4.726 -5.658 -8.324 916 HB2 ARG 115 HB2 ARG 115 5.077 -3.146 -8.104 917 HB3 ARG 115 HB3 ARG 115 6.826 -3.463 -8.060 918 HG2 ARG 115 HG2 ARG 115 6.490 -4.799 -10.216 919 HG3 ARG 115 HG3 ARG 115 4.855 -4.135 -10.283 920 HD2 ARG 115 HD2 ARG 115 5.912 -2.618 -11.621 921 HD3 ARG 115 HD3 ARG 115 6.206 -1.822 -10.087 922 HE ARG 115 HE ARG 115 8.440 -2.788 -10.019 923 HH11 ARG 115 HH11 ARG 115 6.924 -2.628 -13.260 924 HH12 ARG 115 HH12 ARG 115 8.320 -3.277 -14.052 925 HH21 ARG 115 HH21 ARG 115 10.404 -3.243 -11.229 926 HH22 ARG 115 HH22 ARG 115 10.357 -3.245 -12.930 927 H ARG 116 HN ARG 116 7.849 -5.265 -6.713 928 HA ARG 116 HA ARG 116 9.561 -6.702 -8.370 929 HB2 ARG 116 HB2 ARG 116 9.336 -6.676 -5.321 930 HB3 ARG 116 HB3 ARG 116 10.621 -7.516 -6.176 931 HG2 ARG 116 HG2 ARG 116 10.101 -4.541 -6.459 932 HG3 ARG 116 HG3 ARG 116 11.258 -5.270 -5.342 933 HD2 ARG 116 HD2 ARG 116 12.370 -6.382 -7.320 934 HD3 ARG 116 HD3 ARG 116 11.317 -5.413 -8.384 935 HE ARG 116 HE ARG 116 12.428 -3.557 -6.706 936 HH11 ARG 116 HH11 ARG 116 13.466 -5.716 -9.319 937 HH12 ARG 116 HH12 ARG 116 14.948 -4.881 -9.593 938 HH21 ARG 116 HH21 ARG 116 14.462 -2.468 -7.076 939 HH22 ARG 116 HH22 ARG 116 15.541 -3.063 -8.302 940 H SER 117 HN SER 117 7.466 -8.071 -5.866 941 HA SER 117 HA SER 117 8.232 -10.756 -6.471 942 HB2 SER 117 HB2 SER 117 6.269 -9.404 -4.639 943 HB3 SER 117 HB3 SER 117 6.176 -11.181 -4.874 944 HG SER 117 HG SER 117 7.995 -11.457 -3.904 945 H GLN 118 HN GLN 118 5.915 -8.690 -8.100 946 HA GLN 118 HA GLN 118 4.182 -10.837 -9.058 947 HB2 GLN 118 HB2 GLN 118 4.806 -8.076 -10.183 948 HB3 GLN 118 HB3 GLN 118 3.673 -9.200 -10.899 949 HG2 GLN 118 HG2 GLN 118 2.258 -9.173 -8.913 950 HG3 GLN 118 HG3 GLN 118 3.390 -8.093 -8.082 951 HE21 GLN 118 HE21 GLN 118 0.940 -8.329 -10.581 952 HE22 GLN 118 HE22 GLN 118 0.752 -6.568 -10.770 953 H GLN 119 HN GLN 119 7.515 -10.286 -9.471 954 HA GLN 119 HA GLN 119 7.516 -11.387 -12.220 955 HB2 GLN 119 HB2 GLN 119 9.489 -9.548 -10.865 956 HB3 GLN 119 HB3 GLN 119 9.522 -10.102 -12.537 957 HG2 GLN 119 HG2 GLN 119 7.724 -8.738 -13.200 958 HG3 GLN 119 HG3 GLN 119 7.138 -8.489 -11.557 959 HE21 GLN 119 HE21 GLN 119 8.053 -7.004 -10.215 960 HE22 GLN 119 HE22 GLN 119 9.376 -5.935 -10.653 961 H ASP 120 HN ASP 120 7.495 -12.845 -9.586 962 HA ASP 120 HA ASP 120 10.075 -14.232 -9.429 963 HB2 ASP 120 HB2 ASP 120 8.454 -14.004 -7.498 964 HB3 ASP 120 HB3 ASP 120 7.352 -15.074 -8.354 Start of MODEL 6 1 H1 MET 1 HN MET 1 -4.088 -13.078 -11.105 2 HA MET 1 HA MET 1 -5.156 -10.894 -11.072 3 HB2 MET 1 HB2 MET 1 -6.634 -11.475 -9.134 4 HB3 MET 1 HB3 MET 1 -5.251 -11.277 -8.055 5 HG2 MET 1 HG2 MET 1 -6.483 -9.190 -8.036 6 HG3 MET 1 HG3 MET 1 -4.999 -8.912 -8.884 7 HE1 MET 1 HE1 MET 1 -6.097 -6.652 -9.539 8 HE2 MET 1 HE2 MET 1 -7.442 -6.445 -10.680 9 HE3 MET 1 HE3 MET 1 -7.753 -6.958 -9.016 10 H GLY 2 HN GLY 2 -3.562 -9.403 -11.426 11 HA2 GLY 2 HA2 GLY 2 -1.611 -8.749 -9.376 12 HA3 GLY 2 HA1 GLY 2 -0.942 -9.560 -10.789 13 H ILE 3 HN ILE 3 -2.397 -6.706 -9.580 14 HA ILE 3 HA ILE 3 -2.609 -5.272 -12.111 15 HB ILE 3 HB ILE 3 -2.240 -4.048 -9.352 16 HG12 ILE 3 HG12 ILE 3 -4.767 -5.166 -10.633 17 HG13 ILE 3 HG13 ILE 3 -3.989 -5.774 -9.163 18 HG21 ILE 3 HG21 ILE 3 -3.929 -3.026 -11.672 19 HG22 ILE 3 HG22 ILE 3 -3.489 -2.158 -10.185 20 HG23 ILE 3 HG23 ILE 3 -2.261 -2.504 -11.379 21 HD11 ILE 3 HD11 ILE 3 -5.459 -3.143 -9.518 22 HD12 ILE 3 HD12 ILE 3 -5.887 -4.518 -8.489 23 HD13 ILE 3 HD13 ILE 3 -4.456 -3.522 -8.095 24 H THR 4 HN THR 4 -1.134 -3.694 -12.826 25 HA THR 4 HA THR 4 1.731 -4.205 -12.178 26 HB THR 4 HB THR 4 0.376 -2.446 -14.261 27 HG1 THR 4 HG1 THR 4 1.003 -5.099 -14.127 28 HG21 THR 4 HG21 THR 4 3.323 -3.148 -13.949 29 HG22 THR 4 HG22 THR 4 2.591 -1.522 -13.836 30 HG23 THR 4 HG23 THR 4 2.592 -2.379 -15.378 31 H ILE 5 HN ILE 5 3.112 -2.400 -11.379 32 HA ILE 5 HA ILE 5 1.660 0.001 -10.382 33 HB ILE 5 HB ILE 5 3.971 -1.550 -9.215 34 HG12 ILE 5 HG12 ILE 5 1.880 -2.775 -8.895 35 HG13 ILE 5 HG13 ILE 5 2.680 -2.323 -7.419 36 HG21 ILE 5 HG21 ILE 5 2.677 0.950 -8.119 37 HG22 ILE 5 HG22 ILE 5 3.776 -0.120 -7.199 38 HG23 ILE 5 HG23 ILE 5 4.356 0.704 -8.646 39 HD11 ILE 5 HD11 ILE 5 0.236 -0.968 -8.644 40 HD12 ILE 5 HD12 ILE 5 0.258 -2.049 -7.231 41 HD13 ILE 5 HD13 ILE 5 1.038 -0.454 -7.142 42 H THR 6 HN THR 6 2.828 1.907 -10.731 43 HA THR 6 HA THR 6 5.532 1.674 -11.933 44 HB THR 6 HB THR 6 4.880 3.843 -13.163 45 HG1 THR 6 HG1 THR 6 2.889 4.181 -13.623 46 HG21 THR 6 HG21 THR 6 3.690 1.133 -13.911 47 HG22 THR 6 HG22 THR 6 5.357 1.693 -14.225 48 HG23 THR 6 HG23 THR 6 3.992 2.473 -15.044 49 H ASP 7 HN ASP 7 7.015 3.175 -11.420 50 HA ASP 7 HA ASP 7 7.165 4.183 -8.799 51 HB2 ASP 7 HB2 ASP 7 8.638 4.941 -11.318 52 HB3 ASP 7 HB3 ASP 7 9.125 5.418 -9.699 53 H GLU 8 HN GLU 8 5.842 5.633 -11.709 54 HA GLU 8 HA GLU 8 5.892 8.376 -10.678 55 HB2 GLU 8 HB2 GLU 8 4.461 6.996 -12.965 56 HB3 GLU 8 HB3 GLU 8 4.393 8.750 -12.635 57 HG2 GLU 8 HG2 GLU 8 7.032 8.546 -12.736 58 HG3 GLU 8 HG3 GLU 8 6.703 7.041 -13.591 59 H LEU 9 HN LEU 9 3.431 5.796 -11.030 60 HA LEU 9 HA LEU 9 1.220 7.175 -9.899 61 HB2 LEU 9 HB2 LEU 9 1.861 4.547 -10.879 62 HB3 LEU 9 HB3 LEU 9 1.215 4.310 -9.286 63 HG LEU 9 HG LEU 9 -0.180 6.049 -11.363 64 HD11 LEU 9 HD11 LEU 9 -1.587 4.088 -11.864 65 HD12 LEU 9 HD12 LEU 9 -0.561 3.076 -10.808 66 HD13 LEU 9 HD13 LEU 9 0.112 3.806 -12.280 67 HD21 LEU 9 HD21 LEU 9 -1.144 4.689 -8.800 68 HD22 LEU 9 HD22 LEU 9 -2.179 5.564 -9.949 69 HD23 LEU 9 HD23 LEU 9 -0.927 6.429 -9.051 70 H LEU 10 HN LEU 10 3.996 5.671 -8.498 71 HA LEU 10 HA LEU 10 3.000 5.513 -5.781 72 HB2 LEU 10 HB2 LEU 10 5.701 5.244 -7.076 73 HB3 LEU 10 HB3 LEU 10 5.504 5.152 -5.329 74 HG LEU 10 HG LEU 10 3.773 3.426 -7.145 75 HD11 LEU 10 HD11 LEU 10 6.692 2.985 -6.491 76 HD12 LEU 10 HD12 LEU 10 5.842 2.833 -8.035 77 HD13 LEU 10 HD13 LEU 10 5.545 1.638 -6.821 78 HD21 LEU 10 HD21 LEU 10 4.973 2.966 -4.386 79 HD22 LEU 10 HD22 LEU 10 3.883 1.907 -5.297 80 HD23 LEU 10 HD23 LEU 10 3.287 3.467 -4.732 81 H TRP 11 HN TRP 11 4.773 7.939 -7.688 82 HA TRP 11 HA TRP 11 5.460 9.552 -5.377 83 HB2 TRP 11 HB2 TRP 11 5.654 9.988 -8.350 84 HB3 TRP 11 HB3 TRP 11 5.701 11.376 -7.282 85 HD1 TRP 11 HD1 TRP 11 7.928 8.785 -8.687 86 HE1 TRP 11 HE1 TRP 11 10.248 8.906 -7.692 87 HE3 TRP 11 HE3 TRP 11 6.953 11.942 -4.745 88 HZ2 TRP 11 HZ2 TRP 11 11.554 10.226 -5.441 89 HZ3 TRP 11 HZ3 TRP 11 8.801 12.519 -3.131 90 HH2 TRP 11 HH2 TRP 11 11.064 11.689 -3.509 91 H ALA 12 HN ALA 12 2.700 9.340 -7.570 92 HA ALA 12 HA ALA 12 1.333 11.691 -6.866 93 HB1 ALA 12 HB1 ALA 12 -0.691 10.369 -7.510 94 HB2 ALA 12 HB2 ALA 12 0.638 10.215 -8.677 95 HB3 ALA 12 HB3 ALA 12 0.288 8.907 -7.529 96 H ILE 13 HN ILE 13 1.910 8.831 -4.884 97 HA ILE 13 HA ILE 13 -0.132 9.481 -2.871 98 HB ILE 13 HB ILE 13 1.996 7.390 -3.020 99 HG12 ILE 13 HG12 ILE 13 -1.019 6.872 -3.173 100 HG13 ILE 13 HG13 ILE 13 -0.252 7.490 -4.622 101 HG21 ILE 13 HG21 ILE 13 0.729 6.221 -1.236 102 HG22 ILE 13 HG22 ILE 13 1.390 7.757 -0.677 103 HG23 ILE 13 HG23 ILE 13 -0.335 7.632 -1.096 104 HD11 ILE 13 HD11 ILE 13 0.590 4.976 -3.192 105 HD12 ILE 13 HD12 ILE 13 -0.309 5.119 -4.729 106 HD13 ILE 13 HD13 ILE 13 1.361 5.716 -4.620 107 H LEU 14 HN LEU 14 3.185 10.245 -3.625 108 HA LEU 14 HA LEU 14 3.856 10.865 -0.849 109 HB2 LEU 14 HB2 LEU 14 5.412 10.914 -3.469 110 HB3 LEU 14 HB3 LEU 14 6.114 11.489 -1.974 111 HG LEU 14 HG LEU 14 5.032 8.666 -2.343 112 HD11 LEU 14 HD11 LEU 14 6.976 8.954 -3.824 113 HD12 LEU 14 HD12 LEU 14 7.395 7.928 -2.456 114 HD13 LEU 14 HD13 LEU 14 7.928 9.623 -2.486 115 HD21 LEU 14 HD21 LEU 14 5.163 9.566 0.000 116 HD22 LEU 14 HD22 LEU 14 6.910 9.768 -0.212 117 HD23 LEU 14 HD23 LEU 14 6.170 8.150 -0.288 118 H LYS 15 HN LYS 15 3.389 12.599 -3.955 119 HA LYS 15 HA LYS 15 4.039 15.169 -2.909 120 HB2 LYS 15 HB2 LYS 15 2.511 14.186 -5.383 121 HB3 LYS 15 HB3 LYS 15 2.986 15.867 -5.139 122 HG2 LYS 15 HG2 LYS 15 4.929 13.505 -5.355 123 HG3 LYS 15 HG3 LYS 15 4.484 14.619 -6.644 124 HD2 LYS 15 HD2 LYS 15 5.212 16.500 -5.034 125 HD3 LYS 15 HD3 LYS 15 5.964 15.195 -4.082 126 HE2 LYS 15 HE2 LYS 15 7.612 14.814 -5.677 127 HE3 LYS 15 HE3 LYS 15 6.540 15.233 -7.029 128 HZ1 LYS 15 HZ1 LYS 15 7.734 17.198 -5.193 129 HZ2 LYS 15 HZ2 LYS 15 6.780 17.534 -6.495 130 HZ3 LYS 15 HZ3 LYS 15 8.262 16.846 -6.719 131 H ASP 16 HN ASP 16 0.917 14.653 -4.466 132 HA ASP 16 HA ASP 16 -0.946 14.703 -2.472 133 HB2 ASP 16 HB2 ASP 16 0.087 17.474 -3.085 134 HB3 ASP 16 HB3 ASP 16 -1.633 17.223 -2.991 135 H GLU 17 HN GLU 17 -1.206 13.162 -4.562 136 HA GLU 17 HA GLU 17 -2.875 14.674 -6.434 137 HB2 GLU 17 HB2 GLU 17 -0.943 14.189 -7.630 138 HB3 GLU 17 HB3 GLU 17 -0.651 12.667 -6.804 139 HG2 GLU 17 HG2 GLU 17 -1.442 12.247 -9.047 140 HG3 GLU 17 HG3 GLU 17 -2.539 11.666 -7.790 141 H LEU 18 HN LEU 18 -2.102 11.394 -5.151 142 HA LEU 18 HA LEU 18 -4.803 10.434 -5.287 143 HB2 LEU 18 HB2 LEU 18 -2.338 9.632 -3.752 144 HB3 LEU 18 HB3 LEU 18 -3.852 9.130 -3.054 145 HG LEU 18 HG LEU 18 -2.964 7.407 -4.340 146 HD11 LEU 18 HD11 LEU 18 -4.891 6.662 -5.435 147 HD12 LEU 18 HD12 LEU 18 -5.435 8.311 -5.801 148 HD13 LEU 18 HD13 LEU 18 -5.380 7.703 -4.127 149 HD21 LEU 18 HD21 LEU 18 -2.746 7.447 -6.796 150 HD22 LEU 18 HD22 LEU 18 -1.716 8.682 -6.067 151 HD23 LEU 18 HD23 LEU 18 -3.253 9.146 -6.833 152 H SER 19 HN SER 19 -6.099 9.934 -3.385 153 HA SER 19 HA SER 19 -6.166 12.144 -1.358 154 HB2 SER 19 HB2 SER 19 -8.418 10.953 -2.929 155 HB3 SER 19 HB3 SER 19 -8.704 11.315 -1.219 156 HG SER 19 HG SER 19 -7.788 13.078 -3.263 157 H ASP 20 HN ASP 20 -7.420 11.212 0.714 158 HA ASP 20 HA ASP 20 -5.623 9.236 1.685 159 HB2 ASP 20 HB2 ASP 20 -7.020 9.300 3.774 160 HB3 ASP 20 HB3 ASP 20 -6.236 10.776 3.248 161 H ALA 21 HN ALA 21 -9.181 8.914 1.380 162 HA ALA 21 HA ALA 21 -9.321 6.149 1.654 163 HB1 ALA 21 HB1 ALA 21 -11.271 7.690 1.598 164 HB2 ALA 21 HB2 ALA 21 -11.010 7.946 -0.140 165 HB3 ALA 21 HB3 ALA 21 -11.478 6.343 0.458 166 H GLU 22 HN GLU 22 -8.632 8.022 -1.286 167 HA GLU 22 HA GLU 22 -8.825 5.832 -3.126 168 HB2 GLU 22 HB2 GLU 22 -7.294 8.436 -3.394 169 HB3 GLU 22 HB3 GLU 22 -7.805 7.373 -4.718 170 HG2 GLU 22 HG2 GLU 22 -9.564 9.014 -2.847 171 HG3 GLU 22 HG3 GLU 22 -9.185 9.328 -4.533 172 H ALA 23 HN ALA 23 -6.090 7.322 -1.389 173 HA ALA 23 HA ALA 23 -4.027 5.679 -2.565 174 HB1 ALA 23 HB1 ALA 23 -3.465 7.742 -1.354 175 HB2 ALA 23 HB2 ALA 23 -4.142 7.058 0.142 176 HB3 ALA 23 HB3 ALA 23 -2.676 6.364 -0.583 177 H ASN 24 HN ASN 24 -6.239 5.263 0.089 178 HA ASN 24 HA ASN 24 -5.232 2.721 1.067 179 HB2 ASN 24 HB2 ASN 24 -7.487 4.455 1.683 180 HB3 ASN 24 HB3 ASN 24 -8.101 2.856 1.342 181 HD21 ASN 24 HD21 ASN 24 -8.637 3.691 3.740 182 HD22 ASN 24 HD22 ASN 24 -7.580 3.005 4.971 183 H ALA 25 HN ALA 25 -7.786 3.628 -1.270 184 HA ALA 25 HA ALA 25 -8.570 1.090 -2.041 185 HB1 ALA 25 HB1 ALA 25 -8.451 3.495 -3.907 186 HB2 ALA 25 HB2 ALA 25 -9.516 2.099 -4.006 187 HB3 ALA 25 HB3 ALA 25 -9.701 3.241 -2.663 188 H LEU 26 HN LEU 26 -6.014 3.068 -3.833 189 HA LEU 26 HA LEU 26 -5.479 1.008 -5.659 190 HB2 LEU 26 HB2 LEU 26 -3.594 3.145 -4.589 191 HB3 LEU 26 HB3 LEU 26 -3.376 2.162 -6.038 192 HG LEU 26 HG LEU 26 -5.477 4.293 -5.601 193 HD11 LEU 26 HD11 LEU 26 -4.319 5.414 -7.442 194 HD12 LEU 26 HD12 LEU 26 -3.220 4.029 -7.643 195 HD13 LEU 26 HD13 LEU 26 -3.151 5.020 -6.171 196 HD21 LEU 26 HD21 LEU 26 -6.267 3.869 -7.875 197 HD22 LEU 26 HD22 LEU 26 -6.520 2.448 -6.899 198 HD23 LEU 26 HD23 LEU 26 -5.154 2.494 -8.048 199 H VAL 27 HN VAL 27 -4.410 1.164 -2.298 200 HA VAL 27 HA VAL 27 -2.434 -0.971 -2.606 201 HB VAL 27 HB VAL 27 -3.805 0.404 -0.298 202 HG11 VAL 27 HG11 VAL 27 -1.645 -1.734 -0.033 203 HG12 VAL 27 HG12 VAL 27 -2.276 -0.712 1.268 204 HG13 VAL 27 HG13 VAL 27 -3.334 -1.883 0.498 205 HG21 VAL 27 HG21 VAL 27 -1.775 1.488 0.086 206 HG22 VAL 27 HG22 VAL 27 -0.873 0.431 -1.035 207 HG23 VAL 27 HG23 VAL 27 -2.051 1.629 -1.628 208 H TRP 28 HN TRP 28 -5.823 -0.678 -1.389 209 HA TRP 28 HA TRP 28 -6.255 -3.357 -0.766 210 HB2 TRP 28 HB2 TRP 28 -8.222 -1.317 -1.852 211 HB3 TRP 28 HB3 TRP 28 -8.649 -2.832 -1.108 212 HD1 TRP 28 HD1 TRP 28 -6.281 -2.312 1.281 213 HE1 TRP 28 HE1 TRP 28 -7.028 -0.854 3.251 214 HE3 TRP 28 HE3 TRP 28 -10.271 0.049 -0.914 215 HZ2 TRP 28 HZ2 TRP 28 -9.140 0.886 3.857 216 HZ3 TRP 28 HZ3 TRP 28 -11.577 1.720 0.368 217 HH2 TRP 28 HH2 TRP 28 -11.040 2.165 2.738 218 H GLN 29 HN GLN 29 -6.834 -1.761 -3.969 219 HA GLN 29 HA GLN 29 -7.914 -4.099 -5.173 220 HB2 GLN 29 HB2 GLN 29 -7.148 -3.046 -7.357 221 HB3 GLN 29 HB3 GLN 29 -8.201 -2.090 -6.326 222 HG2 GLN 29 HG2 GLN 29 -6.470 -0.683 -5.726 223 HG3 GLN 29 HG3 GLN 29 -5.198 -1.752 -6.293 224 HE21 GLN 29 HE21 GLN 29 -8.114 -0.999 -8.256 225 HE22 GLN 29 HE22 GLN 29 -7.232 -0.018 -9.392 226 H ALA 30 HN ALA 30 -4.470 -3.160 -4.881 227 HA ALA 30 HA ALA 30 -3.493 -5.354 -6.524 228 HB1 ALA 30 HB1 ALA 30 -2.259 -3.204 -6.126 229 HB2 ALA 30 HB2 ALA 30 -2.025 -3.713 -4.425 230 HB3 ALA 30 HB3 ALA 30 -1.319 -4.673 -5.762 231 H LEU 31 HN LEU 31 -4.110 -4.935 -3.025 232 HA LEU 31 HA LEU 31 -3.058 -7.544 -2.213 233 HB2 LEU 31 HB2 LEU 31 -5.095 -5.599 -1.090 234 HB3 LEU 31 HB3 LEU 31 -4.944 -7.233 -0.454 235 HG LEU 31 HG LEU 31 -2.597 -5.341 -0.568 236 HD11 LEU 31 HD11 LEU 31 -4.353 -4.299 0.786 237 HD12 LEU 31 HD12 LEU 31 -3.004 -4.841 1.793 238 HD13 LEU 31 HD13 LEU 31 -4.504 -5.786 1.757 239 HD21 LEU 31 HD21 LEU 31 -2.016 -7.749 -0.280 240 HD22 LEU 31 HD22 LEU 31 -3.139 -7.860 1.084 241 HD23 LEU 31 HD23 LEU 31 -1.697 -6.845 1.196 242 H GLY 32 HN GLY 32 -6.306 -6.314 -2.963 243 HA2 GLY 32 HA2 GLY 32 -7.508 -7.617 -4.740 244 HA3 GLY 32 HA1 GLY 32 -7.332 -9.010 -3.680 245 H TYR 33 HN TYR 33 -7.778 -6.261 -1.731 246 HA TYR 33 HA TYR 33 -10.514 -6.939 -0.982 247 HB2 TYR 33 HB2 TYR 33 -8.622 -4.803 0.038 248 HB3 TYR 33 HB3 TYR 33 -10.224 -5.154 0.662 249 HD1 TYR 33 HD2 TYR 33 -6.760 -6.314 0.483 250 HD2 TYR 33 HD1 TYR 33 -10.658 -7.002 2.169 251 HE1 TYR 33 HE2 TYR 33 -5.743 -7.815 2.172 252 HE2 TYR 33 HE1 TYR 33 -9.684 -8.444 3.901 253 HH TYR 33 HH TYR 33 -7.565 -9.148 4.917 254 H VAL 34 HN VAL 34 -10.556 -6.095 -3.609 255 HA VAL 34 HA VAL 34 -11.002 -3.202 -3.862 256 HB VAL 34 HB VAL 34 -10.217 -4.346 -5.792 257 HG11 VAL 34 HG11 VAL 34 -12.660 -6.130 -5.678 258 HG12 VAL 34 HG12 VAL 34 -11.492 -6.073 -7.014 259 HG13 VAL 34 HG13 VAL 34 -10.982 -6.642 -5.415 260 HG21 VAL 34 HG21 VAL 34 -13.140 -3.799 -6.406 261 HG22 VAL 34 HG22 VAL 34 -11.917 -2.522 -6.187 262 HG23 VAL 34 HG23 VAL 34 -11.757 -3.693 -7.506 263 H TRP 35 HN TRP 35 -13.007 -2.106 -3.791 264 HA TRP 35 HA TRP 35 -15.249 -3.381 -2.456 265 HB2 TRP 35 HB2 TRP 35 -14.996 -1.024 -2.167 266 HB3 TRP 35 HB3 TRP 35 -14.853 -0.743 -3.899 267 HD1 TRP 35 HD1 TRP 35 -16.983 -0.493 -5.292 268 HE1 TRP 35 HE1 TRP 35 -19.421 -0.174 -4.817 269 HE3 TRP 35 HE3 TRP 35 -16.946 -2.184 -0.478 270 HZ2 TRP 35 HZ2 TRP 35 -21.248 -0.840 -2.599 271 HZ3 TRP 35 HZ3 TRP 35 -19.088 -2.483 0.731 272 HH2 TRP 35 HH2 TRP 35 -21.248 -1.826 -0.362 273 H ASP 36 HN ASP 36 -16.641 -4.764 -3.422 274 HA ASP 36 HA ASP 36 -16.793 -4.852 -6.352 275 HB2 ASP 36 HB2 ASP 36 -16.746 -7.027 -4.934 276 HB3 ASP 36 HB3 ASP 36 -18.404 -6.713 -4.536 277 H GLU 37 HN GLU 37 -17.892 -2.989 -6.851 278 HA GLU 37 HA GLU 37 -20.313 -2.099 -5.658 279 HB2 GLU 37 HB2 GLU 37 -18.888 -0.837 -7.177 280 HB3 GLU 37 HB3 GLU 37 -19.239 -1.929 -8.485 281 HG2 GLU 37 HG2 GLU 37 -21.642 -1.221 -8.440 282 HG3 GLU 37 HG3 GLU 37 -21.253 -0.074 -7.147 283 H ALA 38 HN ALA 38 -19.596 -4.886 -7.665 284 HA ALA 38 HA ALA 38 -22.224 -5.227 -8.789 285 HB1 ALA 38 HB1 ALA 38 -19.925 -6.213 -9.605 286 HB2 ALA 38 HB2 ALA 38 -20.233 -7.452 -8.370 287 HB3 ALA 38 HB3 ALA 38 -21.367 -7.243 -9.697 288 H GLN 39 HN GLN 39 -20.855 -5.937 -5.683 289 HA GLN 39 HA GLN 39 -23.287 -7.509 -4.970 290 HB2 GLN 39 HB2 GLN 39 -20.404 -8.048 -4.132 291 HB3 GLN 39 HB3 GLN 39 -21.815 -8.763 -3.346 292 HG2 GLN 39 HG2 GLN 39 -22.535 -9.752 -5.498 293 HG3 GLN 39 HG3 GLN 39 -21.074 -9.083 -6.232 294 HE21 GLN 39 HE21 GLN 39 -20.151 -11.041 -6.794 295 HE22 GLN 39 HE22 GLN 39 -19.555 -12.226 -5.651 296 H SER 40 HN SER 40 -21.602 -4.679 -4.476 297 HA SER 40 HA SER 40 -21.425 -3.154 -2.906 298 HB2 SER 40 HB2 SER 40 -23.884 -3.293 -3.128 299 HB3 SER 40 HB3 SER 40 -23.956 -4.267 -1.649 300 HG SER 40 HG SER 40 -23.323 -2.525 -0.503 301 H CYS 41 HN CYS 41 -19.795 -5.317 -2.575 302 HA CYS 41 HA CYS 41 -19.528 -5.509 0.394 303 HB2 CYS 41 HB2 CYS 41 -19.556 -7.860 -1.572 304 HB3 CYS 41 HB3 CYS 41 -18.996 -7.977 0.092 305 HG CYS 41 HG CYS 41 -21.949 -6.784 -0.785 306 H TRP 42 HN TRP 42 -17.352 -6.334 0.982 307 HA TRP 42 HA TRP 42 -15.264 -5.190 -0.766 308 HB2 TRP 42 HB2 TRP 42 -15.180 -6.492 1.993 309 HB3 TRP 42 HB3 TRP 42 -13.787 -5.829 1.130 310 HD1 TRP 42 HD1 TRP 42 -16.582 -4.793 3.376 311 HE1 TRP 42 HE1 TRP 42 -16.707 -2.261 3.614 312 HE3 TRP 42 HE3 TRP 42 -13.271 -3.496 -0.310 313 HZ2 TRP 42 HZ2 TRP 42 -15.509 0.076 2.342 314 HZ3 TRP 42 HZ3 TRP 42 -12.750 -1.125 -0.743 315 HH2 TRP 42 HH2 TRP 42 -13.882 0.670 0.545 316 H LYS 43 HN LYS 43 -14.787 -6.555 -2.577 317 HA LYS 43 HA LYS 43 -15.240 -9.252 -2.714 318 HB2 LYS 43 HB2 LYS 43 -14.598 -7.060 -4.329 319 HB3 LYS 43 HB3 LYS 43 -13.019 -7.869 -4.195 320 HG2 LYS 43 HG2 LYS 43 -14.195 -9.954 -4.649 321 HG3 LYS 43 HG3 LYS 43 -15.673 -9.072 -5.006 322 HD2 LYS 43 HD2 LYS 43 -13.047 -8.731 -6.518 323 HD3 LYS 43 HD3 LYS 43 -14.458 -9.675 -7.076 324 HE2 LYS 43 HE2 LYS 43 -15.861 -7.623 -6.860 325 HE3 LYS 43 HE3 LYS 43 -14.440 -6.668 -6.475 326 HZ1 LYS 43 HZ1 LYS 43 -14.917 -8.109 -9.010 327 HZ2 LYS 43 HZ2 LYS 43 -13.645 -7.071 -8.722 328 HZ3 LYS 43 HZ3 LYS 43 -15.189 -6.544 -8.778 329 H THR 44 HN THR 44 -13.871 -10.940 -2.070 330 HA THR 44 HA THR 44 -11.066 -10.214 -1.606 331 HB THR 44 HB THR 44 -10.990 -11.747 0.408 332 HG1 THR 44 HG1 THR 44 -13.644 -11.077 0.898 333 HG21 THR 44 HG21 THR 44 -11.540 -10.033 1.977 334 HG22 THR 44 HG22 THR 44 -12.467 -9.136 0.762 335 HG23 THR 44 HG23 THR 44 -10.721 -9.334 0.573 336 H ASP 45 HN ASP 45 -12.824 -11.738 -3.710 337 HA ASP 45 HA ASP 45 -11.816 -14.437 -3.798 338 HB2 ASP 45 HB2 ASP 45 -12.551 -12.411 -5.917 339 HB3 ASP 45 HB3 ASP 45 -12.165 -14.092 -6.287 340 H LEU 46 HN LEU 46 -10.489 -11.267 -4.539 341 HA LEU 46 HA LEU 46 -8.485 -12.305 -6.397 342 HB2 LEU 46 HB2 LEU 46 -9.163 -9.495 -5.474 343 HB3 LEU 46 HB3 LEU 46 -7.972 -9.876 -6.700 344 HG LEU 46 HG LEU 46 -10.951 -10.433 -6.878 345 HD11 LEU 46 HD11 LEU 46 -9.206 -8.539 -8.478 346 HD12 LEU 46 HD12 LEU 46 -10.221 -8.055 -7.111 347 HD13 LEU 46 HD13 LEU 46 -10.969 -8.708 -8.585 348 HD21 LEU 46 HD21 LEU 46 -8.722 -11.000 -8.875 349 HD22 LEU 46 HD22 LEU 46 -10.412 -10.982 -9.319 350 HD23 LEU 46 HD23 LEU 46 -9.827 -12.186 -8.162 351 H VAL 47 HN VAL 47 -8.505 -12.264 -3.177 352 HA VAL 47 HA VAL 47 -5.662 -11.352 -2.840 353 HB VAL 47 HB VAL 47 -7.042 -9.835 -1.665 354 HG11 VAL 47 HG11 VAL 47 -8.687 -10.504 0.064 355 HG12 VAL 47 HG12 VAL 47 -9.079 -10.626 -1.660 356 HG13 VAL 47 HG13 VAL 47 -8.577 -12.075 -0.791 357 HG21 VAL 47 HG21 VAL 47 -6.342 -11.678 0.582 358 HG22 VAL 47 HG22 VAL 47 -5.120 -10.657 -0.236 359 HG23 VAL 47 HG23 VAL 47 -6.488 -9.929 0.628 360 H ALA 48 HN ALA 48 -4.323 -12.527 -1.366 361 HA ALA 48 HA ALA 48 -4.530 -15.351 -1.589 362 HB1 ALA 48 HB1 ALA 48 -2.382 -14.088 -1.233 363 HB2 ALA 48 HB2 ALA 48 -2.913 -13.715 0.417 364 HB3 ALA 48 HB3 ALA 48 -2.615 -15.398 -0.076 365 HA PRO 49 HA PRO 49 -7.310 -16.295 1.677 366 HB2 PRO 49 HB2 PRO 49 -6.386 -18.680 2.680 367 HB3 PRO 49 HB3 PRO 49 -7.249 -18.489 1.130 368 HG2 PRO 49 HG2 PRO 49 -4.289 -18.745 1.603 369 HG3 PRO 49 HG3 PRO 49 -5.279 -19.488 0.305 370 HD2 PRO 49 HD2 PRO 49 -3.756 -17.231 -0.048 371 HD3 PRO 49 HD3 PRO 49 -5.247 -17.517 -0.961 372 H GLU 50 HN GLU 50 -3.819 -16.435 2.440 373 HA GLU 50 HA GLU 50 -3.973 -16.313 5.241 374 HB2 GLU 50 HB2 GLU 50 -1.687 -15.708 5.196 375 HB3 GLU 50 HB3 GLU 50 -1.973 -16.872 3.902 376 HG2 GLU 50 HG2 GLU 50 -1.897 -15.029 2.226 377 HG3 GLU 50 HG3 GLU 50 -1.752 -13.852 3.498 378 H TRP 51 HN TRP 51 -4.543 -13.753 2.921 379 HA TRP 51 HA TRP 51 -4.190 -11.616 4.933 380 HB2 TRP 51 HB2 TRP 51 -4.628 -11.771 1.988 381 HB3 TRP 51 HB3 TRP 51 -5.282 -10.362 2.822 382 HD1 TRP 51 HD1 TRP 51 -2.098 -11.843 1.574 383 HE1 TRP 51 HE1 TRP 51 -0.133 -10.335 2.044 384 HE3 TRP 51 HE3 TRP 51 -4.472 -8.425 4.570 385 HZ2 TRP 51 HZ2 TRP 51 0.430 -7.964 3.697 386 HZ3 TRP 51 HZ3 TRP 51 -3.238 -6.502 5.463 387 HH2 TRP 51 HH2 TRP 51 -0.800 -6.241 5.052 388 H ARG 52 HN ARG 52 -6.845 -12.870 2.855 389 HA ARG 52 HA ARG 52 -8.806 -11.256 4.135 390 HB2 ARG 52 HB2 ARG 52 -10.399 -12.497 2.791 391 HB3 ARG 52 HB3 ARG 52 -8.984 -11.911 1.905 392 HG2 ARG 52 HG2 ARG 52 -8.051 -14.382 2.407 393 HG3 ARG 52 HG3 ARG 52 -9.759 -14.740 2.651 394 HD2 ARG 52 HD2 ARG 52 -9.652 -13.186 0.313 395 HD3 ARG 52 HD3 ARG 52 -8.232 -14.149 0.154 396 HE ARG 52 HE ARG 52 -10.802 -15.415 0.957 397 HH11 ARG 52 HH11 ARG 52 -8.370 -15.186 -1.648 398 HH12 ARG 52 HH12 ARG 52 -9.225 -16.229 -2.715 399 HH21 ARG 52 HH21 ARG 52 -12.209 -16.145 -0.801 400 HH22 ARG 52 HH22 ARG 52 -11.443 -16.908 -2.131 401 H GLN 53 HN GLN 53 -7.336 -14.114 5.150 402 HA GLN 53 HA GLN 53 -8.976 -15.957 6.005 403 HB2 GLN 53 HB2 GLN 53 -6.278 -15.163 6.437 404 HB3 GLN 53 HB3 GLN 53 -6.900 -15.424 8.049 405 HG2 GLN 53 HG2 GLN 53 -7.570 -17.666 7.512 406 HG3 GLN 53 HG3 GLN 53 -7.197 -17.456 5.799 407 HE21 GLN 53 HE21 GLN 53 -5.506 -19.245 5.796 408 HE22 GLN 53 HE22 GLN 53 -3.997 -18.906 6.628 409 H ASP 54 HN ASP 54 -8.475 -13.006 7.842 410 HA ASP 54 HA ASP 54 -10.695 -13.698 9.680 411 HB2 ASP 54 HB2 ASP 54 -7.826 -13.091 10.443 412 HB3 ASP 54 HB3 ASP 54 -9.144 -12.681 11.527 413 H TYR 55 HN TYR 55 -10.140 -11.821 7.331 414 HA TYR 55 HA TYR 55 -10.077 -9.127 8.601 415 HB2 TYR 55 HB2 TYR 55 -8.850 -10.189 6.064 416 HB3 TYR 55 HB3 TYR 55 -9.300 -8.499 6.220 417 HD1 TYR 55 HD2 TYR 55 -7.594 -10.893 8.634 418 HD2 TYR 55 HD1 TYR 55 -7.390 -7.172 6.436 419 HE1 TYR 55 HE2 TYR 55 -5.643 -10.250 9.920 420 HE2 TYR 55 HE1 TYR 55 -5.402 -6.542 7.724 421 HH TYR 55 HH TYR 55 -4.520 -8.247 10.612 422 HA PRO 56 HA PRO 56 -14.212 -9.749 6.599 423 HB2 PRO 56 HB2 PRO 56 -15.734 -8.339 8.404 424 HB3 PRO 56 HB3 PRO 56 -15.231 -10.036 8.662 425 HG2 PRO 56 HG2 PRO 56 -13.892 -7.523 9.709 426 HG3 PRO 56 HG3 PRO 56 -14.345 -8.991 10.631 427 HD2 PRO 56 HD2 PRO 56 -11.823 -8.630 9.705 428 HD3 PRO 56 HD3 PRO 56 -12.579 -10.253 9.641 429 H GLU 57 HN GLU 57 -12.350 -6.937 7.449 430 HA GLU 57 HA GLU 57 -13.870 -5.309 5.447 431 HB2 GLU 57 HB2 GLU 57 -13.142 -4.636 8.284 432 HB3 GLU 57 HB3 GLU 57 -12.827 -3.386 7.084 433 HG2 GLU 57 HG2 GLU 57 -15.170 -3.568 6.257 434 HG3 GLU 57 HG3 GLU 57 -15.502 -4.756 7.520 435 HA PRO 58 HA PRO 58 -9.894 -4.641 3.615 436 HB2 PRO 58 HB2 PRO 58 -9.826 -2.072 2.887 437 HB3 PRO 58 HB3 PRO 58 -10.905 -3.241 2.083 438 HG2 PRO 58 HG2 PRO 58 -11.591 -1.307 4.322 439 HG3 PRO 58 HG3 PRO 58 -12.459 -1.555 2.774 440 HD2 PRO 58 HD2 PRO 58 -13.262 -2.797 5.030 441 HD3 PRO 58 HD3 PRO 58 -13.270 -3.678 3.483 442 HA PRO 59 HA PRO 59 -7.478 -3.314 7.008 443 HB2 PRO 59 HB2 PRO 59 -4.974 -2.984 5.947 444 HB3 PRO 59 HB3 PRO 59 -5.762 -4.584 6.213 445 HG2 PRO 59 HG2 PRO 59 -5.597 -3.027 3.629 446 HG3 PRO 59 HG3 PRO 59 -5.347 -4.774 3.895 447 HD2 PRO 59 HD2 PRO 59 -7.673 -3.664 2.986 448 HD3 PRO 59 HD3 PRO 59 -7.662 -5.144 3.999 449 H ASP 60 HN ASP 60 -7.631 -1.402 8.016 450 HA ASP 60 HA ASP 60 -7.425 1.106 6.477 451 HB2 ASP 60 HB2 ASP 60 -9.253 0.613 8.165 452 HB3 ASP 60 HB3 ASP 60 -8.038 0.820 9.445 453 H PHE 61 HN PHE 61 -5.313 1.813 6.147 454 HA PHE 61 HA PHE 61 -3.388 1.457 8.385 455 HB2 PHE 61 HB2 PHE 61 -2.898 2.414 5.571 456 HB3 PHE 61 HB3 PHE 61 -1.682 2.009 6.768 457 HD1 PHE 61 HD1 PHE 61 -4.192 0.663 4.426 458 HD2 PHE 61 HD2 PHE 61 -1.083 -0.365 7.212 459 HE1 PHE 61 HE1 PHE 61 -4.054 -1.561 3.436 460 HE2 PHE 61 HE2 PHE 61 -1.019 -2.669 6.266 461 HZ PHE 61 HZ PHE 61 -2.563 -3.280 4.378 462 H ILE 62 HN ILE 62 -5.720 3.716 7.812 463 HA ILE 62 HA ILE 62 -3.951 6.107 7.909 464 HB ILE 62 HB ILE 62 -6.927 5.921 7.257 465 HG12 ILE 62 HG12 ILE 62 -4.602 6.227 5.331 466 HG13 ILE 62 HG13 ILE 62 -5.517 4.744 5.554 467 HG21 ILE 62 HG21 ILE 62 -6.637 8.259 6.492 468 HG22 ILE 62 HG22 ILE 62 -6.288 8.079 8.197 469 HG23 ILE 62 HG23 ILE 62 -4.944 8.216 7.058 470 HD11 ILE 62 HD11 ILE 62 -6.604 7.343 4.461 471 HD12 ILE 62 HD12 ILE 62 -6.341 5.825 3.603 472 HD13 ILE 62 HD13 ILE 62 -7.594 5.924 4.863 473 H ALA 63 HN ALA 63 -6.959 4.752 9.341 474 HA ALA 63 HA ALA 63 -6.823 6.442 11.734 475 HB1 ALA 63 HB1 ALA 63 -8.721 5.014 12.435 476 HB2 ALA 63 HB2 ALA 63 -8.983 5.651 10.804 477 HB3 ALA 63 HB3 ALA 63 -8.467 3.964 11.037 478 H SER 64 HN SER 64 -5.759 3.222 10.689 479 HA SER 64 HA SER 64 -5.029 2.508 13.478 480 HB2 SER 64 HB2 SER 64 -7.138 1.558 12.116 481 HB3 SER 64 HB3 SER 64 -5.912 0.437 11.506 482 HG SER 64 HG SER 64 -7.093 -0.131 13.499 483 H ARG 65 HN ARG 65 -3.637 0.312 13.348 484 HA ARG 65 HA ARG 65 -2.204 0.083 10.916 485 HB2 ARG 65 HB2 ARG 65 0.128 0.312 11.728 486 HB3 ARG 65 HB3 ARG 65 -0.796 1.782 11.702 487 HG2 ARG 65 HG2 ARG 65 0.510 1.976 13.582 488 HG3 ARG 65 HG3 ARG 65 -1.075 1.577 14.227 489 HD2 ARG 65 HD2 ARG 65 -0.371 -0.695 14.690 490 HD3 ARG 65 HD3 ARG 65 1.135 -0.476 13.759 491 HE ARG 65 HE ARG 65 1.100 1.434 15.822 492 HH11 ARG 65 HH11 ARG 65 1.250 -2.120 15.535 493 HH12 ARG 65 HH12 ARG 65 1.920 -2.354 17.098 494 HH21 ARG 65 HH21 ARG 65 1.985 1.131 17.861 495 HH22 ARG 65 HH22 ARG 65 2.146 -0.471 18.535 496 HA PRO 66 HA PRO 66 -2.216 -3.875 13.421 497 HB2 PRO 66 HB2 PRO 66 -4.392 -5.229 12.439 498 HB3 PRO 66 HB3 PRO 66 -4.448 -4.192 13.895 499 HG2 PRO 66 HG2 PRO 66 -5.276 -3.480 11.070 500 HG3 PRO 66 HG3 PRO 66 -6.146 -3.149 12.597 501 HD2 PRO 66 HD2 PRO 66 -4.598 -1.270 11.362 502 HD3 PRO 66 HD3 PRO 66 -4.684 -1.404 13.149 503 H ALA 67 HN ALA 67 -3.615 -3.529 10.109 504 HA ALA 67 HA ALA 67 -2.381 -5.803 9.034 505 HB1 ALA 67 HB1 ALA 67 -3.326 -3.272 7.641 506 HB2 ALA 67 HB2 ALA 67 -3.053 -4.841 6.878 507 HB3 ALA 67 HB3 ALA 67 -4.340 -4.651 8.091 508 H THR 68 HN THR 68 -0.998 -2.588 9.590 509 HA THR 68 HA THR 68 1.080 -2.487 7.787 510 HB THR 68 HB THR 68 1.017 -1.801 10.754 511 HG1 THR 68 HG1 THR 68 0.677 -0.105 8.517 512 HG21 THR 68 HG21 THR 68 3.317 -1.697 10.181 513 HG22 THR 68 HG22 THR 68 2.725 -0.034 10.049 514 HG23 THR 68 HG23 THR 68 2.983 -1.023 8.583 515 H VAL 69 HN VAL 69 0.901 -4.654 10.672 516 HA VAL 69 HA VAL 69 3.668 -5.458 10.526 517 HB VAL 69 HB VAL 69 1.277 -6.886 11.770 518 HG11 VAL 69 HG11 VAL 69 2.962 -7.930 13.244 519 HG12 VAL 69 HG12 VAL 69 3.285 -8.329 11.558 520 HG13 VAL 69 HG13 VAL 69 4.267 -7.091 12.372 521 HG21 VAL 69 HG21 VAL 69 1.420 -4.625 12.698 522 HG22 VAL 69 HG22 VAL 69 1.979 -5.800 13.887 523 HG23 VAL 69 HG23 VAL 69 3.163 -4.822 12.989 524 H LYS 70 HN LYS 70 0.583 -6.876 9.436 525 HA LYS 70 HA LYS 70 1.584 -9.164 8.145 526 HB2 LYS 70 HB2 LYS 70 -0.795 -8.400 8.834 527 HB3 LYS 70 HB3 LYS 70 -0.867 -7.564 7.289 528 HG2 LYS 70 HG2 LYS 70 -0.705 -9.666 6.087 529 HG3 LYS 70 HG3 LYS 70 -0.234 -10.520 7.547 530 HD2 LYS 70 HD2 LYS 70 -2.533 -9.855 8.543 531 HD3 LYS 70 HD3 LYS 70 -2.958 -9.303 6.926 532 HE2 LYS 70 HE2 LYS 70 -3.821 -11.451 6.950 533 HE3 LYS 70 HE3 LYS 70 -2.263 -11.715 6.148 534 HZ1 LYS 70 HZ1 LYS 70 -2.846 -12.192 9.022 535 HZ2 LYS 70 HZ2 LYS 70 -1.426 -12.555 8.298 536 HZ3 LYS 70 HZ3 LYS 70 -2.819 -13.335 7.888 537 H LEU 71 HN LEU 71 1.131 -5.844 7.008 538 HA LEU 71 HA LEU 71 2.014 -6.195 4.343 539 HB2 LEU 71 HB2 LEU 71 0.844 -4.155 5.731 540 HB3 LEU 71 HB3 LEU 71 2.511 -3.619 5.809 541 HG LEU 71 HG LEU 71 2.573 -3.885 3.283 542 HD11 LEU 71 HD11 LEU 71 -0.455 -4.020 3.750 543 HD12 LEU 71 HD12 LEU 71 0.533 -5.272 2.965 544 HD13 LEU 71 HD13 LEU 71 0.291 -3.718 2.175 545 HD21 LEU 71 HD21 LEU 71 0.691 -1.848 4.510 546 HD22 LEU 71 HD22 LEU 71 1.436 -1.730 2.904 547 HD23 LEU 71 HD23 LEU 71 2.467 -1.702 4.344 548 H THR 72 HN THR 72 3.888 -5.648 7.386 549 HA THR 72 HA THR 72 6.377 -5.084 6.011 550 HB THR 72 HB THR 72 5.834 -6.140 8.824 551 HG1 THR 72 HG1 THR 72 5.602 -3.690 7.770 552 HG21 THR 72 HG21 THR 72 8.109 -6.696 8.221 553 HG22 THR 72 HG22 THR 72 8.158 -5.289 9.288 554 HG23 THR 72 HG23 THR 72 8.387 -5.107 7.525 555 H ARG 73 HN ARG 73 4.751 -8.089 7.159 556 HA ARG 73 HA ARG 73 6.905 -9.796 6.840 557 HB2 ARG 73 HB2 ARG 73 4.020 -10.484 6.172 558 HB3 ARG 73 HB3 ARG 73 5.326 -11.595 6.544 559 HG2 ARG 73 HG2 ARG 73 5.405 -9.972 8.775 560 HG3 ARG 73 HG3 ARG 73 3.697 -9.868 8.359 561 HD2 ARG 73 HD2 ARG 73 5.328 -12.317 9.083 562 HD3 ARG 73 HD3 ARG 73 3.958 -11.590 9.961 563 HE ARG 73 HE ARG 73 2.941 -12.233 7.482 564 HH11 ARG 73 HH11 ARG 73 4.250 -14.100 10.219 565 HH12 ARG 73 HH12 ARG 73 3.436 -15.558 9.762 566 HH21 ARG 73 HH21 ARG 73 2.353 -14.256 6.640 567 HH22 ARG 73 HH22 ARG 73 2.305 -15.660 7.657 568 H SER 74 HN SER 74 4.983 -8.413 4.214 569 HA SER 74 HA SER 74 6.428 -10.098 2.258 570 HB2 SER 74 HB2 SER 74 4.828 -9.411 0.663 571 HB3 SER 74 HB3 SER 74 3.982 -9.889 2.151 572 HG SER 74 HG SER 74 4.005 -7.568 0.828 573 H ILE 75 HN ILE 75 7.465 -7.483 3.878 574 HA ILE 75 HA ILE 75 8.855 -6.353 1.499 575 HB ILE 75 HB ILE 75 8.630 -5.118 4.249 576 HG12 ILE 75 HG12 ILE 75 7.218 -4.196 1.695 577 HG13 ILE 75 HG13 ILE 75 6.432 -5.109 2.968 578 HG21 ILE 75 HG21 ILE 75 9.716 -3.188 3.224 579 HG22 ILE 75 HG22 ILE 75 10.685 -4.600 2.824 580 HG23 ILE 75 HG23 ILE 75 9.604 -3.926 1.606 581 HD11 ILE 75 HD11 ILE 75 7.583 -2.316 3.223 582 HD12 ILE 75 HD12 ILE 75 5.898 -2.837 3.390 583 HD13 ILE 75 HD13 ILE 75 7.085 -3.303 4.620 584 HA PRO 76 HA PRO 76 11.684 -9.331 3.709 585 HB2 PRO 76 HB2 PRO 76 12.877 -10.429 1.541 586 HB3 PRO 76 HB3 PRO 76 11.165 -10.797 1.898 587 HG2 PRO 76 HG2 PRO 76 12.119 -8.637 0.035 588 HG3 PRO 76 HG3 PRO 76 11.060 -10.048 -0.335 589 HD2 PRO 76 HD2 PRO 76 9.916 -7.723 0.402 590 HD3 PRO 76 HD3 PRO 76 9.340 -9.259 1.104 591 H ALA 77 HN ALA 77 14.238 -9.505 3.327 592 HA ALA 77 HA ALA 77 15.250 -6.950 3.955 593 HB1 ALA 77 HB1 ALA 77 17.406 -8.008 4.084 594 HB2 ALA 77 HB2 ALA 77 16.184 -9.058 4.808 595 HB3 ALA 77 HB3 ALA 77 16.823 -9.426 3.193 596 HA PRO 78 HA PRO 78 17.104 -6.726 -0.456 597 HB2 PRO 78 HB2 PRO 78 15.877 -8.075 -2.537 598 HB3 PRO 78 HB3 PRO 78 17.256 -8.698 -1.592 599 HG2 PRO 78 HG2 PRO 78 14.302 -9.241 -1.136 600 HG3 PRO 78 HG3 PRO 78 15.633 -10.439 -1.212 601 HD2 PRO 78 HD2 PRO 78 14.798 -9.654 1.128 602 HD3 PRO 78 HD3 PRO 78 16.544 -9.739 0.837 603 H TYR 79 HN TYR 79 13.873 -6.309 0.546 604 HA TYR 79 HA TYR 79 13.342 -4.361 -1.654 605 HB2 TYR 79 HB2 TYR 79 11.454 -6.181 -0.193 606 HB3 TYR 79 HB3 TYR 79 10.922 -4.858 -1.198 607 HD1 TYR 79 HD2 TYR 79 13.100 -5.174 -3.397 608 HD2 TYR 79 HD1 TYR 79 10.359 -7.966 -1.556 609 HE1 TYR 79 HE2 TYR 79 12.845 -6.265 -5.493 610 HE2 TYR 79 HE1 TYR 79 10.307 -9.257 -3.627 611 HH TYR 79 HH TYR 79 11.128 -9.545 -5.701 612 H LYS 80 HN LYS 80 14.624 -4.104 1.044 613 HA LYS 80 HA LYS 80 12.630 -2.735 2.730 614 HB2 LYS 80 HB2 LYS 80 15.673 -2.729 3.042 615 HB3 LYS 80 HB3 LYS 80 14.542 -2.005 4.170 616 HG2 LYS 80 HG2 LYS 80 14.897 -4.932 3.568 617 HG3 LYS 80 HG3 LYS 80 15.209 -4.078 5.075 618 HD2 LYS 80 HD2 LYS 80 12.584 -3.559 4.926 619 HD3 LYS 80 HD3 LYS 80 12.611 -4.940 3.822 620 HE2 LYS 80 HE2 LYS 80 12.184 -5.976 5.858 621 HE3 LYS 80 HE3 LYS 80 13.919 -6.187 5.659 622 HZ1 LYS 80 HZ1 LYS 80 14.272 -4.274 7.085 623 HZ2 LYS 80 HZ2 LYS 80 13.396 -5.412 7.877 624 HZ3 LYS 80 HZ3 LYS 80 12.653 -4.051 7.268 625 H GLN 81 HN GLN 81 15.481 -1.497 0.876 626 HA GLN 81 HA GLN 81 14.714 1.203 1.716 627 HB2 GLN 81 HB2 GLN 81 17.063 0.171 0.079 628 HB3 GLN 81 HB3 GLN 81 16.807 1.846 0.570 629 HG2 GLN 81 HG2 GLN 81 16.740 1.049 2.985 630 HG3 GLN 81 HG3 GLN 81 17.300 -0.527 2.398 631 HE21 GLN 81 HE21 GLN 81 19.319 -0.212 3.747 632 HE22 GLN 81 HE22 GLN 81 20.531 0.878 3.103 633 H LEU 82 HN LEU 82 13.024 -0.376 -0.337 634 HA LEU 82 HA LEU 82 13.679 0.482 -2.919 635 HB2 LEU 82 HB2 LEU 82 10.981 -0.309 -1.838 636 HB3 LEU 82 HB3 LEU 82 11.357 -0.046 -3.532 637 HG LEU 82 HG LEU 82 12.509 -2.195 -1.794 638 HD11 LEU 82 HD11 LEU 82 10.743 -2.263 -4.281 639 HD12 LEU 82 HD12 LEU 82 10.173 -2.431 -2.610 640 HD13 LEU 82 HD13 LEU 82 11.232 -3.664 -3.312 641 HD21 LEU 82 HD21 LEU 82 13.191 -1.639 -4.694 642 HD22 LEU 82 HD22 LEU 82 13.581 -3.126 -3.786 643 HD23 LEU 82 HD23 LEU 82 14.302 -1.601 -3.301 644 H LEU 83 HN LEU 83 11.881 2.217 -0.498 645 HA LEU 83 HA LEU 83 10.648 4.181 -2.182 646 HB2 LEU 83 HB2 LEU 83 11.122 3.778 0.708 647 HB3 LEU 83 HB3 LEU 83 11.173 5.467 0.234 648 HG LEU 83 HG LEU 83 8.838 3.669 -0.474 649 HD11 LEU 83 HD11 LEU 83 9.182 3.804 2.013 650 HD12 LEU 83 HD12 LEU 83 7.704 4.632 1.474 651 HD13 LEU 83 HD13 LEU 83 9.151 5.571 1.890 652 HD21 LEU 83 HD21 LEU 83 9.060 5.835 -1.751 653 HD22 LEU 83 HD22 LEU 83 9.109 6.713 -0.236 654 HD23 LEU 83 HD23 LEU 83 7.644 5.830 -0.701 655 H LYS 84 HN LYS 84 13.995 3.777 -1.163 656 HA LYS 84 HA LYS 84 14.590 6.402 -2.419 657 HB2 LYS 84 HB2 LYS 84 16.794 6.226 -1.419 658 HB3 LYS 84 HB3 LYS 84 15.439 6.601 -0.342 659 HG2 LYS 84 HG2 LYS 84 15.436 4.362 0.505 660 HG3 LYS 84 HG3 LYS 84 16.666 3.875 -0.681 661 HD2 LYS 84 HD2 LYS 84 17.148 6.005 1.463 662 HD3 LYS 84 HD3 LYS 84 17.468 4.289 1.730 663 HE2 LYS 84 HE2 LYS 84 19.443 4.406 0.732 664 HE3 LYS 84 HE3 LYS 84 18.669 4.909 -0.768 665 HZ1 LYS 84 HZ1 LYS 84 18.830 7.232 0.046 666 HZ2 LYS 84 HZ2 LYS 84 20.261 6.476 -0.186 667 HZ3 LYS 84 HZ3 LYS 84 19.715 6.665 1.359 668 H GLU 85 HN GLU 85 15.455 3.009 -2.455 669 HA GLU 85 HA GLU 85 17.453 2.871 -4.338 670 HB2 GLU 85 HB2 GLU 85 15.095 1.029 -4.184 671 HB3 GLU 85 HB3 GLU 85 16.515 0.705 -5.130 672 HG2 GLU 85 HG2 GLU 85 16.959 1.364 -2.223 673 HG3 GLU 85 HG3 GLU 85 16.260 -0.186 -2.640 674 H GLU 86 HN GLU 86 13.932 3.108 -5.142 675 HA GLU 86 HA GLU 86 14.671 3.393 -8.044 676 HB2 GLU 86 HB2 GLU 86 12.027 2.931 -6.581 677 HB3 GLU 86 HB3 GLU 86 12.144 3.183 -8.323 678 HG2 GLU 86 HG2 GLU 86 13.392 0.893 -6.750 679 HG3 GLU 86 HG3 GLU 86 11.976 0.824 -7.795 680 H LEU 87 HN LEU 87 13.507 5.221 -5.403 681 HA LEU 87 HA LEU 87 12.420 7.339 -7.213 682 HB2 LEU 87 HB2 LEU 87 11.698 6.978 -4.329 683 HB3 LEU 87 HB3 LEU 87 10.845 7.863 -5.551 684 HG LEU 87 HG LEU 87 11.091 4.818 -5.448 685 HD11 LEU 87 HD11 LEU 87 8.964 6.793 -4.610 686 HD12 LEU 87 HD12 LEU 87 9.705 5.441 -3.722 687 HD13 LEU 87 HD13 LEU 87 8.571 5.115 -5.054 688 HD21 LEU 87 HD21 LEU 87 9.555 6.647 -7.328 689 HD22 LEU 87 HD22 LEU 87 9.381 4.875 -7.241 690 HD23 LEU 87 HD23 LEU 87 10.906 5.590 -7.759 691 H GLY 88 HN GLY 88 14.329 6.928 -4.273 692 HA2 GLY 88 HA2 GLY 88 15.825 8.383 -3.254 693 HA3 GLY 88 HA1 GLY 88 15.491 9.591 -4.497 694 H PHE 89 HN PHE 89 13.036 7.918 -2.344 695 HA PHE 89 HA PHE 89 12.719 10.543 -0.928 696 HB2 PHE 89 HB2 PHE 89 10.669 9.749 -2.085 697 HB3 PHE 89 HB3 PHE 89 10.713 8.301 -1.072 698 HD1 PHE 89 HD2 PHE 89 10.895 12.070 -0.773 699 HD2 PHE 89 HD1 PHE 89 9.626 8.372 1.072 700 HE1 PHE 89 HE2 PHE 89 9.983 13.323 1.137 701 HE2 PHE 89 HE1 PHE 89 8.631 9.638 2.930 702 HZ PHE 89 HZ PHE 89 8.766 12.131 2.958 703 H ALA 90 HN ALA 90 13.427 10.509 1.188 704 HA ALA 90 HA ALA 90 13.883 7.862 2.497 705 HB1 ALA 90 HB1 ALA 90 15.819 9.291 2.094 706 HB2 ALA 90 HB2 ALA 90 15.042 10.551 3.089 707 HB3 ALA 90 HB3 ALA 90 15.516 9.022 3.832 708 H GLY 91 HN GLY 91 12.336 11.117 3.143 709 HA2 GLY 91 HA2 GLY 91 10.429 10.057 4.897 710 HA3 GLY 91 HA1 GLY 91 11.818 10.581 5.867 711 H TYR 92 HN TYR 92 9.442 11.793 6.268 712 HA TYR 92 HA TYR 92 9.223 14.257 4.681 713 HB2 TYR 92 HB2 TYR 92 7.686 13.276 7.122 714 HB3 TYR 92 HB3 TYR 92 7.268 14.666 6.126 715 HD1 TYR 92 HD2 TYR 92 6.670 14.317 3.677 716 HD2 TYR 92 HD1 TYR 92 7.005 11.013 6.454 717 HE1 TYR 92 HE2 TYR 92 5.425 12.851 2.122 718 HE2 TYR 92 HE1 TYR 92 5.776 9.605 4.962 719 HH TYR 92 HH TYR 92 4.377 9.567 2.905 720 H SER 93 HN SER 93 9.738 16.347 5.384 721 HA SER 93 HA SER 93 11.511 16.867 7.493 722 HB2 SER 93 HB2 SER 93 9.489 18.815 6.356 723 HB3 SER 93 HB3 SER 93 11.144 19.139 6.876 724 HG SER 93 HG SER 93 10.503 18.937 4.485 725 H ILE 94 HN ILE 94 11.085 18.078 9.412 726 HA ILE 94 HA ILE 94 9.009 17.092 11.029 727 HB ILE 94 HB ILE 94 11.034 17.904 11.984 728 HG12 ILE 94 HG12 ILE 94 10.137 19.383 13.798 729 HG13 ILE 94 HG13 ILE 94 8.642 19.556 12.925 730 HG21 ILE 94 HG21 ILE 94 11.516 19.768 10.426 731 HG22 ILE 94 HG22 ILE 94 10.228 20.720 11.190 732 HG23 ILE 94 HG23 ILE 94 11.650 20.248 12.112 733 HD11 ILE 94 HD11 ILE 94 8.473 17.860 14.700 734 HD12 ILE 94 HD12 ILE 94 8.252 17.088 13.121 735 HD13 ILE 94 HD13 ILE 94 9.815 16.955 13.986 736 H ASN 95 HN ASN 95 9.143 20.136 9.258 737 HA ASN 95 HA ASN 95 6.669 21.182 10.233 738 HB2 ASN 95 HB2 ASN 95 6.947 22.400 7.766 739 HB3 ASN 95 HB3 ASN 95 7.544 22.975 9.301 740 HD21 ASN 95 HD21 ASN 95 9.559 23.872 8.941 741 HD22 ASN 95 HD22 ASN 95 10.808 23.078 7.973 742 H GLU 96 HN GLU 96 7.393 18.707 7.928 743 HA GLU 96 HA GLU 96 4.778 18.911 6.539 744 HB2 GLU 96 HB2 GLU 96 7.439 17.501 6.015 745 HB3 GLU 96 HB3 GLU 96 5.996 17.090 5.107 746 HG2 GLU 96 HG2 GLU 96 7.068 19.948 5.276 747 HG3 GLU 96 HG3 GLU 96 7.518 18.772 4.039 748 H LEU 97 HN LEU 97 5.980 17.462 9.284 749 HA LEU 97 HA LEU 97 5.283 14.777 8.671 750 HB2 LEU 97 HB2 LEU 97 6.842 16.165 10.669 751 HB3 LEU 97 HB3 LEU 97 5.804 15.048 11.495 752 HG LEU 97 HG LEU 97 7.732 14.385 9.231 753 HD11 LEU 97 HD11 LEU 97 7.777 13.840 12.226 754 HD12 LEU 97 HD12 LEU 97 8.872 14.894 11.301 755 HD13 LEU 97 HD13 LEU 97 8.914 13.145 11.055 756 HD21 LEU 97 HD21 LEU 97 7.254 12.015 9.749 757 HD22 LEU 97 HD22 LEU 97 5.815 12.814 9.159 758 HD23 LEU 97 HD23 LEU 97 5.995 12.516 10.904 759 H VAL 98 HN VAL 98 3.117 15.205 8.053 760 HA VAL 98 HA VAL 98 1.148 15.399 10.248 761 HB VAL 98 HB VAL 98 -0.525 15.348 8.432 762 HG11 VAL 98 HG11 VAL 98 0.445 17.440 9.234 763 HG12 VAL 98 HG12 VAL 98 1.728 17.349 7.991 764 HG13 VAL 98 HG13 VAL 98 0.025 17.530 7.518 765 HG21 VAL 98 HG21 VAL 98 1.869 15.226 6.570 766 HG22 VAL 98 HG22 VAL 98 0.504 14.081 6.659 767 HG23 VAL 98 HG23 VAL 98 0.251 15.721 6.081 768 HA PRO 99 HA PRO 99 0.772 11.027 10.591 769 HB2 PRO 99 HB2 PRO 99 -1.874 10.686 11.256 770 HB3 PRO 99 HB3 PRO 99 -0.607 11.253 12.387 771 HG2 PRO 99 HG2 PRO 99 -2.590 12.906 10.809 772 HG3 PRO 99 HG3 PRO 99 -2.116 13.082 12.526 773 HD2 PRO 99 HD2 PRO 99 -1.048 14.657 10.598 774 HD3 PRO 99 HD3 PRO 99 -0.064 14.088 11.977 775 H ARG 100 HN ARG 100 -1.244 12.909 8.322 776 HA ARG 100 HA ARG 100 -2.216 10.531 6.915 777 HB2 ARG 100 HB2 ARG 100 -2.089 13.494 6.243 778 HB3 ARG 100 HB3 ARG 100 -2.564 12.284 5.045 779 HG2 ARG 100 HG2 ARG 100 -4.413 11.522 6.384 780 HG3 ARG 100 HG3 ARG 100 -3.991 12.597 7.708 781 HD2 ARG 100 HD2 ARG 100 -4.706 14.513 6.562 782 HD3 ARG 100 HD3 ARG 100 -4.336 13.812 4.986 783 HE ARG 100 HE ARG 100 -6.456 13.125 4.757 784 HH11 ARG 100 HH11 ARG 100 -6.005 13.634 8.262 785 HH12 ARG 100 HH12 ARG 100 -7.676 13.236 8.595 786 HH21 ARG 100 HH21 ARG 100 -8.546 12.635 5.226 787 HH22 ARG 100 HH22 ARG 100 -9.212 12.821 6.805 788 H LYS 101 HN LYS 101 0.876 12.181 6.959 789 HA LYS 101 HA LYS 101 1.661 11.093 4.330 790 HB2 LYS 101 HB2 LYS 101 2.735 13.155 6.243 791 HB3 LYS 101 HB3 LYS 101 3.913 12.265 5.320 792 HG2 LYS 101 HG2 LYS 101 2.917 12.870 3.212 793 HG3 LYS 101 HG3 LYS 101 1.551 13.646 4.015 794 HD2 LYS 101 HD2 LYS 101 2.700 15.534 4.587 795 HD3 LYS 101 HD3 LYS 101 4.248 14.708 4.703 796 HE2 LYS 101 HE2 LYS 101 4.070 16.345 2.841 797 HE3 LYS 101 HE3 LYS 101 4.539 14.728 2.319 798 HZ1 LYS 101 HZ1 LYS 101 1.847 15.920 2.072 799 HZ2 LYS 101 HZ2 LYS 101 2.196 14.416 1.565 800 HZ3 LYS 101 HZ3 LYS 101 2.922 15.714 0.867 801 H THR 102 HN THR 102 2.544 10.744 7.837 802 HA THR 102 HA THR 102 4.655 8.917 7.515 803 HB THR 102 HB THR 102 3.999 8.197 9.860 804 HG1 THR 102 HG1 THR 102 2.161 8.952 10.729 805 HG21 THR 102 HG21 THR 102 4.430 10.371 10.922 806 HG22 THR 102 HG22 THR 102 4.029 11.226 9.417 807 HG23 THR 102 HG23 THR 102 5.467 10.169 9.496 808 H ARG 103 HN ARG 103 1.217 8.255 8.152 809 HA ARG 103 HA ARG 103 1.255 5.457 7.963 810 HB2 ARG 103 HB2 ARG 103 -0.841 7.543 7.274 811 HB3 ARG 103 HB3 ARG 103 -1.197 5.822 7.242 812 HG2 ARG 103 HG2 ARG 103 -0.387 7.498 9.673 813 HG3 ARG 103 HG3 ARG 103 -1.969 6.833 9.310 814 HD2 ARG 103 HD2 ARG 103 -1.387 5.163 10.665 815 HD3 ARG 103 HD3 ARG 103 -0.490 4.538 9.277 816 HE ARG 103 HE ARG 103 0.912 6.436 11.067 817 HH11 ARG 103 HH11 ARG 103 0.418 3.017 10.213 818 HH12 ARG 103 HH12 ARG 103 1.843 2.491 11.102 819 HH21 ARG 103 HH21 ARG 103 2.838 5.639 12.180 820 HH22 ARG 103 HH22 ARG 103 3.135 3.925 12.151 821 H ARG 104 HN ARG 104 0.606 7.792 5.296 822 HA ARG 104 HA ARG 104 0.202 5.855 3.330 823 HB2 ARG 104 HB2 ARG 104 0.425 8.719 3.425 824 HB3 ARG 104 HB3 ARG 104 1.523 8.197 2.204 825 HG2 ARG 104 HG2 ARG 104 -0.406 8.477 0.986 826 HG3 ARG 104 HG3 ARG 104 -0.420 6.726 1.280 827 HD2 ARG 104 HD2 ARG 104 -2.638 7.479 1.740 828 HD3 ARG 104 HD3 ARG 104 -1.894 7.243 3.318 829 HE ARG 104 HE ARG 104 -1.698 9.570 3.623 830 HH11 ARG 104 HH11 ARG 104 -3.383 8.895 0.480 831 HH12 ARG 104 HH12 ARG 104 -3.690 10.594 0.258 832 HH21 ARG 104 HH21 ARG 104 -2.109 11.812 3.022 833 HH22 ARG 104 HH22 ARG 104 -3.186 12.121 1.722 834 H ALA 105 HN ALA 105 3.342 7.303 4.327 835 HA ALA 105 HA ALA 105 4.898 6.352 2.210 836 HB1 ALA 105 HB1 ALA 105 5.837 7.923 3.699 837 HB2 ALA 105 HB2 ALA 105 5.658 6.851 5.112 838 HB3 ALA 105 HB3 ALA 105 6.823 6.467 3.825 839 H THR 106 HN THR 106 4.058 4.606 5.201 840 HA THR 106 HA THR 106 5.560 2.270 4.803 841 HB THR 106 HB THR 106 2.845 2.812 6.066 842 HG1 THR 106 HG1 THR 106 4.016 3.420 7.699 843 HG21 THR 106 HG21 THR 106 4.565 0.330 6.381 844 HG22 THR 106 HG22 THR 106 2.936 0.398 5.673 845 HG23 THR 106 HG23 THR 106 3.162 0.776 7.384 846 H MET 107 HN MET 107 2.413 3.199 3.323 847 HA MET 107 HA MET 107 1.956 0.561 2.197 848 HB2 MET 107 HB2 MET 107 0.638 3.219 1.509 849 HB3 MET 107 HB3 MET 107 0.148 1.588 1.039 850 HG2 MET 107 HG2 MET 107 0.152 1.106 3.613 851 HG3 MET 107 HG3 MET 107 0.027 2.861 3.774 852 HE1 MET 107 HE1 MET 107 -1.789 3.891 1.611 853 HE2 MET 107 HE2 MET 107 -3.482 3.477 1.977 854 HE3 MET 107 HE3 MET 107 -2.454 4.159 3.254 855 H THR 108 HN THR 108 3.512 3.601 1.099 856 HA THR 108 HA THR 108 3.363 2.960 -1.678 857 HB THR 108 HB THR 108 5.562 4.768 -0.864 858 HG1 THR 108 HG1 THR 108 2.927 5.136 0.078 859 HG21 THR 108 HG21 THR 108 2.957 5.200 -2.427 860 HG22 THR 108 HG22 THR 108 4.525 4.796 -3.131 861 HG23 THR 108 HG23 THR 108 4.320 6.346 -2.325 862 H ASN 109 HN ASN 109 5.949 2.467 0.783 863 HA ASN 109 HA ASN 109 7.836 1.279 -0.983 864 HB2 ASN 109 HB2 ASN 109 8.056 1.916 1.555 865 HB3 ASN 109 HB3 ASN 109 7.476 0.289 1.869 866 HD21 ASN 109 HD21 ASN 109 8.843 -1.534 0.472 867 HD22 ASN 109 HD22 ASN 109 10.550 -1.250 0.556 868 H TRP 110 HN TRP 110 5.070 -0.208 0.734 869 HA TRP 110 HA TRP 110 5.732 -2.923 -0.005 870 HB2 TRP 110 HB2 TRP 110 4.290 -2.519 1.867 871 HB3 TRP 110 HB3 TRP 110 3.194 -1.544 0.909 872 HD1 TRP 110 HD1 TRP 110 3.984 -5.189 1.716 873 HE1 TRP 110 HE1 TRP 110 2.155 -6.694 0.702 874 HE3 TRP 110 HE3 TRP 110 1.355 -1.654 -0.835 875 HZ2 TRP 110 HZ2 TRP 110 -0.050 -6.418 -1.144 876 HZ3 TRP 110 HZ3 TRP 110 -0.661 -2.281 -2.167 877 HH2 TRP 110 HH2 TRP 110 -1.362 -4.648 -2.311 878 H LEU 111 HN LEU 111 4.234 -0.229 -1.792 879 HA LEU 111 HA LEU 111 2.610 -2.000 -3.532 880 HB2 LEU 111 HB2 LEU 111 3.221 0.972 -3.376 881 HB3 LEU 111 HB3 LEU 111 2.583 0.275 -4.871 882 HG LEU 111 HG LEU 111 1.080 -0.098 -2.287 883 HD11 LEU 111 HD11 LEU 111 1.056 2.313 -4.148 884 HD12 LEU 111 HD12 LEU 111 1.377 2.290 -2.398 885 HD13 LEU 111 HD13 LEU 111 -0.249 1.943 -3.016 886 HD21 LEU 111 HD21 LEU 111 -0.822 -0.291 -3.817 887 HD22 LEU 111 HD22 LEU 111 0.451 -1.402 -4.367 888 HD23 LEU 111 HD23 LEU 111 0.190 0.158 -5.185 889 H LEU 112 HN LEU 112 5.507 0.086 -3.658 890 HA LEU 112 HA LEU 112 6.240 -0.770 -6.307 891 HB2 LEU 112 HB2 LEU 112 7.580 0.839 -6.276 892 HB3 LEU 112 HB3 LEU 112 6.792 1.331 -4.842 893 HG LEU 112 HG LEU 112 9.022 -0.373 -4.074 894 HD11 LEU 112 HD11 LEU 112 9.773 0.060 -6.375 895 HD12 LEU 112 HD12 LEU 112 10.828 0.977 -5.268 896 HD13 LEU 112 HD13 LEU 112 9.567 1.793 -6.181 897 HD21 LEU 112 HD21 LEU 112 9.532 1.502 -2.741 898 HD22 LEU 112 HD22 LEU 112 7.761 1.543 -2.945 899 HD23 LEU 112 HD23 LEU 112 8.818 2.635 -3.901 900 H ALA 113 HN ALA 113 6.964 -2.123 -3.114 901 HA ALA 113 HA ALA 113 8.953 -4.027 -4.093 902 HB1 ALA 113 HB1 ALA 113 8.461 -5.274 -2.055 903 HB2 ALA 113 HB2 ALA 113 8.548 -3.552 -1.626 904 HB3 ALA 113 HB3 ALA 113 6.970 -4.353 -1.781 905 H TYR 114 HN TYR 114 5.331 -4.099 -3.942 906 HA TYR 114 HA TYR 114 5.113 -6.824 -4.460 907 HB2 TYR 114 HB2 TYR 114 3.255 -5.388 -3.772 908 HB3 TYR 114 HB3 TYR 114 3.273 -4.577 -5.335 909 HD1 TYR 114 HD2 TYR 114 3.140 -8.125 -4.010 910 HD2 TYR 114 HD1 TYR 114 1.656 -5.251 -6.855 911 HE1 TYR 114 HE2 TYR 114 1.557 -9.811 -4.870 912 HE2 TYR 114 HE1 TYR 114 -0.078 -6.874 -7.608 913 HH TYR 114 HH TYR 114 0.094 -9.638 -7.769 914 H ARG 115 HN ARG 115 5.105 -4.178 -6.979 915 HA ARG 115 HA ARG 115 4.925 -6.164 -8.964 916 HB2 ARG 115 HB2 ARG 115 4.866 -4.669 -10.586 917 HB3 ARG 115 HB3 ARG 115 4.356 -3.704 -9.225 918 HG2 ARG 115 HG2 ARG 115 7.084 -3.692 -10.501 919 HG3 ARG 115 HG3 ARG 115 5.792 -2.544 -10.871 920 HD2 ARG 115 HD2 ARG 115 5.835 -1.872 -8.395 921 HD3 ARG 115 HD3 ARG 115 7.273 -2.836 -8.268 922 HE ARG 115 HE ARG 115 7.234 -0.177 -8.975 923 HH11 ARG 115 HH11 ARG 115 8.434 -2.883 -10.959 924 HH12 ARG 115 HH12 ARG 115 9.994 -2.248 -11.128 925 HH21 ARG 115 HH21 ARG 115 9.215 0.887 -9.555 926 HH22 ARG 115 HH22 ARG 115 10.299 0.053 -10.577 927 H ARG 116 HN ARG 116 7.816 -5.176 -7.216 928 HA ARG 116 HA ARG 116 9.804 -6.113 -9.013 929 HB2 ARG 116 HB2 ARG 116 9.779 -6.137 -5.994 930 HB3 ARG 116 HB3 ARG 116 11.139 -6.448 -6.975 931 HG2 ARG 116 HG2 ARG 116 9.726 -3.811 -6.799 932 HG3 ARG 116 HG3 ARG 116 11.278 -4.233 -6.108 933 HD2 ARG 116 HD2 ARG 116 11.566 -4.864 -8.839 934 HD3 ARG 116 HD3 ARG 116 10.497 -3.510 -8.839 935 HE ARG 116 HE ARG 116 12.173 -2.091 -7.993 936 HH11 ARG 116 HH11 ARG 116 13.294 -5.381 -8.717 937 HH12 ARG 116 HH12 ARG 116 14.943 -4.965 -8.711 938 HH21 ARG 116 HH21 ARG 116 14.482 -1.534 -8.135 939 HH22 ARG 116 HH22 ARG 116 15.630 -2.810 -8.196 940 H SER 117 HN SER 117 7.511 -7.837 -7.087 941 HA SER 117 HA SER 117 8.912 -10.417 -7.279 942 HB2 SER 117 HB2 SER 117 7.698 -10.465 -5.397 943 HB3 SER 117 HB3 SER 117 6.444 -9.389 -5.981 944 HG SER 117 HG SER 117 6.676 -12.119 -6.667 945 H GLN 118 HN GLN 118 6.317 -8.703 -9.085 946 HA GLN 118 HA GLN 118 5.561 -11.202 -10.402 947 HB2 GLN 118 HB2 GLN 118 4.558 -8.385 -10.902 948 HB3 GLN 118 HB3 GLN 118 3.843 -9.874 -11.504 949 HG2 GLN 118 HG2 GLN 118 3.528 -10.598 -9.085 950 HG3 GLN 118 HG3 GLN 118 3.963 -8.955 -8.611 951 HE21 GLN 118 HE21 GLN 118 2.641 -7.533 -10.796 952 HE22 GLN 118 HE22 GLN 118 0.944 -7.805 -10.637 953 H GLN 119 HN GLN 119 7.423 -8.396 -11.276 954 HA GLN 119 HA GLN 119 8.176 -7.434 -13.121 955 HB2 GLN 119 HB2 GLN 119 9.133 -10.266 -12.965 956 HB3 GLN 119 HB3 GLN 119 9.865 -9.024 -14.018 957 HG2 GLN 119 HG2 GLN 119 9.694 -8.979 -10.986 958 HG3 GLN 119 HG3 GLN 119 11.135 -9.340 -11.913 959 HE21 GLN 119 HE21 GLN 119 8.890 -6.699 -10.986 960 HE22 GLN 119 HE22 GLN 119 10.007 -5.435 -11.464 961 H ASP 120 HN ASP 120 5.694 -7.684 -13.542 962 HA ASP 120 HA ASP 120 4.964 -9.820 -15.060 963 HB2 ASP 120 HB2 ASP 120 3.444 -8.725 -13.539 964 HB3 ASP 120 HB3 ASP 120 3.424 -7.294 -14.561 Start of MODEL 7 1 H1 MET 1 HN MET 1 -4.707 -12.689 -8.980 2 HA MET 1 HA MET 1 -5.717 -10.551 -9.350 3 HB2 MET 1 HB2 MET 1 -6.334 -10.361 -6.830 4 HB3 MET 1 HB3 MET 1 -4.700 -9.759 -6.589 5 HG2 MET 1 HG2 MET 1 -5.894 -7.825 -6.827 6 HG3 MET 1 HG3 MET 1 -5.360 -8.051 -8.490 7 HE1 MET 1 HE1 MET 1 -8.774 -6.400 -9.126 8 HE2 MET 1 HE2 MET 1 -7.820 -6.054 -7.666 9 HE3 MET 1 HE3 MET 1 -7.006 -6.295 -9.226 10 H GLY 2 HN GLY 2 -4.270 -9.344 -10.739 11 HA2 GLY 2 HA2 GLY 2 -1.447 -9.099 -9.892 12 HA3 GLY 2 HA1 GLY 2 -1.852 -9.968 -11.363 13 H ILE 3 HN ILE 3 -2.032 -6.891 -9.689 14 HA ILE 3 HA ILE 3 -2.841 -5.406 -12.091 15 HB ILE 3 HB ILE 3 -2.056 -4.367 -9.335 16 HG12 ILE 3 HG12 ILE 3 -4.732 -5.255 -10.475 17 HG13 ILE 3 HG13 ILE 3 -3.909 -5.901 -9.058 18 HG21 ILE 3 HG21 ILE 3 -2.026 -2.567 -11.043 19 HG22 ILE 3 HG22 ILE 3 -3.673 -3.026 -11.557 20 HG23 ILE 3 HG23 ILE 3 -3.345 -2.342 -9.956 21 HD11 ILE 3 HD11 ILE 3 -5.705 -4.606 -8.264 22 HD12 ILE 3 HD12 ILE 3 -4.256 -3.610 -7.969 23 HD13 ILE 3 HD13 ILE 3 -5.343 -3.246 -9.322 24 H THR 4 HN THR 4 -1.468 -3.569 -12.848 25 HA THR 4 HA THR 4 1.464 -4.035 -12.631 26 HB THR 4 HB THR 4 -0.198 -2.729 -14.826 27 HG1 THR 4 HG1 THR 4 1.539 -4.959 -14.889 28 HG21 THR 4 HG21 THR 4 1.969 -2.515 -16.010 29 HG22 THR 4 HG22 THR 4 2.833 -3.075 -14.565 30 HG23 THR 4 HG23 THR 4 1.948 -1.534 -14.536 31 H ILE 5 HN ILE 5 2.150 -2.700 -11.012 32 HA ILE 5 HA ILE 5 1.007 -0.027 -10.627 33 HB ILE 5 HB ILE 5 3.352 -1.598 -9.495 34 HG12 ILE 5 HG12 ILE 5 2.342 -1.519 -7.364 35 HG13 ILE 5 HG13 ILE 5 1.250 -0.219 -7.841 36 HG21 ILE 5 HG21 ILE 5 4.258 0.657 -9.651 37 HG22 ILE 5 HG22 ILE 5 2.811 1.312 -8.855 38 HG23 ILE 5 HG23 ILE 5 3.922 0.231 -7.971 39 HD11 ILE 5 HD11 ILE 5 1.078 -3.024 -8.910 40 HD12 ILE 5 HD12 ILE 5 0.103 -2.376 -7.561 41 HD13 ILE 5 HD13 ILE 5 -0.083 -1.677 -9.181 42 H THR 6 HN THR 6 1.729 1.761 -11.291 43 HA THR 6 HA THR 6 4.205 1.849 -12.935 44 HB THR 6 HB THR 6 2.965 4.043 -13.813 45 HG1 THR 6 HG1 THR 6 0.952 4.133 -13.531 46 HG21 THR 6 HG21 THR 6 2.172 2.610 -15.669 47 HG22 THR 6 HG22 THR 6 2.189 1.179 -14.558 48 HG23 THR 6 HG23 THR 6 3.698 1.992 -15.063 49 H ASP 7 HN ASP 7 5.730 3.157 -12.332 50 HA ASP 7 HA ASP 7 6.106 4.155 -9.801 51 HB2 ASP 7 HB2 ASP 7 7.248 4.940 -12.508 52 HB3 ASP 7 HB3 ASP 7 7.919 5.461 -10.968 53 H GLU 8 HN GLU 8 4.801 5.769 -12.737 54 HA GLU 8 HA GLU 8 4.769 8.404 -11.543 55 HB2 GLU 8 HB2 GLU 8 3.090 7.230 -13.820 56 HB3 GLU 8 HB3 GLU 8 3.169 8.937 -13.353 57 HG2 GLU 8 HG2 GLU 8 5.832 8.371 -13.645 58 HG3 GLU 8 HG3 GLU 8 5.165 7.259 -14.821 59 H LEU 9 HN LEU 9 2.470 5.629 -11.298 60 HA LEU 9 HA LEU 9 0.298 7.214 -10.258 61 HB2 LEU 9 HB2 LEU 9 -0.157 5.379 -11.728 62 HB3 LEU 9 HB3 LEU 9 0.886 4.298 -10.788 63 HG LEU 9 HG LEU 9 -0.509 4.431 -8.905 64 HD11 LEU 9 HD11 LEU 9 -2.882 5.346 -9.114 65 HD12 LEU 9 HD12 LEU 9 -2.408 6.105 -10.655 66 HD13 LEU 9 HD13 LEU 9 -1.655 6.615 -9.136 67 HD21 LEU 9 HD21 LEU 9 -2.397 3.063 -9.880 68 HD22 LEU 9 HD22 LEU 9 -0.832 2.669 -10.629 69 HD23 LEU 9 HD23 LEU 9 -1.984 3.691 -11.483 70 H LEU 10 HN LEU 10 3.217 5.612 -9.119 71 HA LEU 10 HA LEU 10 2.310 5.498 -6.348 72 HB2 LEU 10 HB2 LEU 10 5.141 5.449 -7.462 73 HB3 LEU 10 HB3 LEU 10 4.693 5.144 -5.799 74 HG LEU 10 HG LEU 10 3.792 3.473 -8.181 75 HD11 LEU 10 HD11 LEU 10 6.189 3.285 -7.707 76 HD12 LEU 10 HD12 LEU 10 5.329 1.805 -7.288 77 HD13 LEU 10 HD13 LEU 10 5.823 2.933 -6.004 78 HD21 LEU 10 HD21 LEU 10 3.382 3.012 -5.191 79 HD22 LEU 10 HD22 LEU 10 3.000 1.862 -6.499 80 HD23 LEU 10 HD23 LEU 10 2.111 3.360 -6.394 81 H TRP 11 HN TRP 11 4.260 7.787 -8.311 82 HA TRP 11 HA TRP 11 4.955 9.514 -6.214 83 HB2 TRP 11 HB2 TRP 11 4.604 9.888 -9.175 84 HB3 TRP 11 HB3 TRP 11 4.830 11.303 -8.146 85 HD1 TRP 11 HD1 TRP 11 6.800 8.585 -9.762 86 HE1 TRP 11 HE1 TRP 11 9.251 8.810 -9.210 87 HE3 TRP 11 HE3 TRP 11 6.348 11.812 -5.844 88 HZ2 TRP 11 HZ2 TRP 11 10.793 9.979 -7.028 89 HZ3 TRP 11 HZ3 TRP 11 8.325 12.398 -4.451 90 HH2 TRP 11 HH2 TRP 11 10.559 11.434 -5.016 91 H ALA 12 HN ALA 12 1.896 9.261 -7.910 92 HA ALA 12 HA ALA 12 0.680 11.653 -7.114 93 HB1 ALA 12 HB1 ALA 12 -0.417 8.857 -7.633 94 HB2 ALA 12 HB2 ALA 12 -1.455 10.236 -7.299 95 HB3 ALA 12 HB3 ALA 12 -0.385 10.282 -8.708 96 H ILE 13 HN ILE 13 1.338 8.784 -5.086 97 HA ILE 13 HA ILE 13 -0.498 9.595 -3.000 98 HB ILE 13 HB ILE 13 1.892 7.679 -2.914 99 HG12 ILE 13 HG12 ILE 13 -0.125 6.018 -2.511 100 HG13 ILE 13 HG13 ILE 13 -1.111 7.274 -3.244 101 HG21 ILE 13 HG21 ILE 13 0.829 6.943 -0.773 102 HG22 ILE 13 HG22 ILE 13 1.407 8.607 -0.692 103 HG23 ILE 13 HG23 ILE 13 -0.333 8.284 -0.948 104 HD11 ILE 13 HD11 ILE 13 1.264 5.817 -4.489 105 HD12 ILE 13 HD12 ILE 13 -0.435 5.492 -4.833 106 HD13 ILE 13 HD13 ILE 13 0.270 7.033 -5.332 107 H LEU 14 HN LEU 14 3.150 9.938 -3.503 108 HA LEU 14 HA LEU 14 3.485 11.251 -1.038 109 HB2 LEU 14 HB2 LEU 14 5.253 11.380 -3.516 110 HB3 LEU 14 HB3 LEU 14 5.700 11.809 -1.878 111 HG LEU 14 HG LEU 14 6.682 9.822 -2.114 112 HD11 LEU 14 HD11 LEU 14 4.041 8.860 -0.961 113 HD12 LEU 14 HD12 LEU 14 5.266 9.793 -0.069 114 HD13 LEU 14 HD13 LEU 14 5.646 8.173 -0.676 115 HD21 LEU 14 HD21 LEU 14 5.809 9.216 -4.289 116 HD22 LEU 14 HD22 LEU 14 4.382 8.478 -3.504 117 HD23 LEU 14 HD23 LEU 14 6.034 7.860 -3.233 118 H LYS 15 HN LYS 15 3.039 12.592 -4.361 119 HA LYS 15 HA LYS 15 3.828 15.232 -3.676 120 HB2 LYS 15 HB2 LYS 15 2.146 14.124 -5.963 121 HB3 LYS 15 HB3 LYS 15 2.802 15.758 -5.910 122 HG2 LYS 15 HG2 LYS 15 4.488 13.215 -5.944 123 HG3 LYS 15 HG3 LYS 15 4.061 14.196 -7.340 124 HD2 LYS 15 HD2 LYS 15 5.177 16.142 -6.010 125 HD3 LYS 15 HD3 LYS 15 5.846 14.842 -4.999 126 HE2 LYS 15 HE2 LYS 15 6.928 13.836 -6.985 127 HE3 LYS 15 HE3 LYS 15 6.088 14.957 -8.057 128 HZ1 LYS 15 HZ1 LYS 15 8.224 15.698 -6.146 129 HZ2 LYS 15 HZ2 LYS 15 7.365 16.780 -7.049 130 HZ3 LYS 15 HZ3 LYS 15 8.316 15.665 -7.774 131 H ASP 16 HN ASP 16 0.574 14.760 -5.007 132 HA ASP 16 HA ASP 16 -1.114 14.643 -2.963 133 HB2 ASP 16 HB2 ASP 16 -0.368 17.544 -3.403 134 HB3 ASP 16 HB3 ASP 16 -2.072 17.124 -3.335 135 H GLU 17 HN GLU 17 -1.569 13.166 -4.890 136 HA GLU 17 HA GLU 17 -3.452 14.579 -6.641 137 HB2 GLU 17 HB2 GLU 17 -1.842 14.045 -8.194 138 HB3 GLU 17 HB3 GLU 17 -1.277 12.608 -7.332 139 HG2 GLU 17 HG2 GLU 17 -3.215 11.366 -7.847 140 HG3 GLU 17 HG3 GLU 17 -4.039 12.780 -8.560 141 H LEU 18 HN LEU 18 -2.384 11.396 -5.263 142 HA LEU 18 HA LEU 18 -5.182 10.581 -5.031 143 HB2 LEU 18 HB2 LEU 18 -2.623 9.453 -3.911 144 HB3 LEU 18 HB3 LEU 18 -4.157 8.866 -3.314 145 HG LEU 18 HG LEU 18 -4.032 9.036 -6.245 146 HD11 LEU 18 HD11 LEU 18 -2.665 7.213 -6.637 147 HD12 LEU 18 HD12 LEU 18 -2.531 6.910 -4.867 148 HD13 LEU 18 HD13 LEU 18 -1.794 8.367 -5.629 149 HD21 LEU 18 HD21 LEU 18 -5.304 7.133 -6.365 150 HD22 LEU 18 HD22 LEU 18 -5.957 8.035 -5.002 151 HD23 LEU 18 HD23 LEU 18 -4.913 6.604 -4.739 152 H SER 19 HN SER 19 -5.978 10.074 -3.076 153 HA SER 19 HA SER 19 -5.848 12.492 -1.252 154 HB2 SER 19 HB2 SER 19 -8.205 10.662 -1.938 155 HB3 SER 19 HB3 SER 19 -8.207 11.816 -0.600 156 HG SER 19 HG SER 19 -7.782 12.461 -3.341 157 H ASP 20 HN ASP 20 -6.898 11.783 1.038 158 HA ASP 20 HA ASP 20 -5.271 9.826 2.368 159 HB2 ASP 20 HB2 ASP 20 -7.215 9.969 4.085 160 HB3 ASP 20 HB3 ASP 20 -6.041 11.258 3.885 161 H ALA 21 HN ALA 21 -8.795 9.696 1.769 162 HA ALA 21 HA ALA 21 -8.985 6.918 2.050 163 HB1 ALA 21 HB1 ALA 21 -11.213 7.193 1.053 164 HB2 ALA 21 HB2 ALA 21 -10.871 8.524 2.179 165 HB3 ALA 21 HB3 ALA 21 -10.767 8.786 0.421 166 H GLU 22 HN GLU 22 -8.533 8.755 -1.006 167 HA GLU 22 HA GLU 22 -8.968 6.442 -2.651 168 HB2 GLU 22 HB2 GLU 22 -7.610 9.057 -3.358 169 HB3 GLU 22 HB3 GLU 22 -8.056 7.797 -4.492 170 HG2 GLU 22 HG2 GLU 22 -10.366 8.522 -2.835 171 HG3 GLU 22 HG3 GLU 22 -9.673 9.942 -3.634 172 H ALA 23 HN ALA 23 -5.955 7.784 -1.163 173 HA ALA 23 HA ALA 23 -4.148 6.388 -2.871 174 HB1 ALA 23 HB1 ALA 23 -3.289 8.101 -1.369 175 HB2 ALA 23 HB2 ALA 23 -3.834 7.168 0.063 176 HB3 ALA 23 HB3 ALA 23 -2.538 6.557 -0.960 177 H ASN 24 HN ASN 24 -6.038 5.507 0.042 178 HA ASN 24 HA ASN 24 -4.761 3.034 0.742 179 HB2 ASN 24 HB2 ASN 24 -7.635 3.954 1.233 180 HB3 ASN 24 HB3 ASN 24 -6.920 2.482 1.855 181 HD21 ASN 24 HD21 ASN 24 -7.832 3.507 3.947 182 HD22 ASN 24 HD22 ASN 24 -6.750 4.564 4.777 183 H ALA 25 HN ALA 25 -7.411 3.853 -1.475 184 HA ALA 25 HA ALA 25 -8.440 1.335 -1.948 185 HB1 ALA 25 HB1 ALA 25 -8.146 3.541 -4.021 186 HB2 ALA 25 HB2 ALA 25 -9.326 2.221 -4.026 187 HB3 ALA 25 HB3 ALA 25 -9.413 3.477 -2.765 188 H LEU 26 HN LEU 26 -5.629 2.818 -3.702 189 HA LEU 26 HA LEU 26 -5.359 0.781 -5.600 190 HB2 LEU 26 HB2 LEU 26 -3.114 2.423 -4.391 191 HB3 LEU 26 HB3 LEU 26 -3.171 1.566 -5.949 192 HG LEU 26 HG LEU 26 -4.869 3.979 -5.234 193 HD11 LEU 26 HD11 LEU 26 -3.425 5.135 -6.851 194 HD12 LEU 26 HD12 LEU 26 -2.430 3.677 -7.038 195 HD13 LEU 26 HD13 LEU 26 -2.491 4.522 -5.474 196 HD21 LEU 26 HD21 LEU 26 -5.420 4.002 -7.645 197 HD22 LEU 26 HD22 LEU 26 -6.017 2.538 -6.883 198 HD23 LEU 26 HD23 LEU 26 -4.542 2.480 -7.882 199 H VAL 27 HN VAL 27 -4.372 0.793 -2.211 200 HA VAL 27 HA VAL 27 -2.625 -1.540 -2.460 201 HB VAL 27 HB VAL 27 -3.980 -0.471 0.045 202 HG11 VAL 27 HG11 VAL 27 -1.917 -1.449 1.128 203 HG12 VAL 27 HG12 VAL 27 -2.971 -2.652 0.369 204 HG13 VAL 27 HG13 VAL 27 -1.476 -2.139 -0.438 205 HG21 VAL 27 HG21 VAL 27 -1.977 0.828 0.491 206 HG22 VAL 27 HG22 VAL 27 -1.298 0.406 -1.107 207 HG23 VAL 27 HG23 VAL 27 -2.755 1.422 -0.962 208 H TRP 28 HN TRP 28 -6.019 -0.838 -1.476 209 HA TRP 28 HA TRP 28 -6.766 -3.431 -0.695 210 HB2 TRP 28 HB2 TRP 28 -8.517 -1.340 -2.027 211 HB3 TRP 28 HB3 TRP 28 -9.044 -2.666 -1.028 212 HD1 TRP 28 HD1 TRP 28 -6.496 -1.812 1.111 213 HE1 TRP 28 HE1 TRP 28 -7.202 -0.138 2.946 214 HE3 TRP 28 HE3 TRP 28 -10.533 0.323 -1.215 215 HZ2 TRP 28 HZ2 TRP 28 -9.257 1.760 3.363 216 HZ3 TRP 28 HZ3 TRP 28 -11.807 2.124 -0.103 217 HH2 TRP 28 HH2 TRP 28 -11.177 2.868 2.188 218 H GLN 29 HN GLN 29 -7.072 -1.864 -3.934 219 HA GLN 29 HA GLN 29 -8.041 -4.203 -5.236 220 HB2 GLN 29 HB2 GLN 29 -7.227 -3.154 -7.354 221 HB3 GLN 29 HB3 GLN 29 -8.289 -2.142 -6.391 222 HG2 GLN 29 HG2 GLN 29 -6.457 -0.857 -5.657 223 HG3 GLN 29 HG3 GLN 29 -5.274 -1.917 -6.415 224 HE21 GLN 29 HE21 GLN 29 -8.231 -1.006 -8.188 225 HE22 GLN 29 HE22 GLN 29 -7.313 -0.041 -9.323 226 H ALA 30 HN ALA 30 -4.642 -3.145 -4.720 227 HA ALA 30 HA ALA 30 -3.393 -4.971 -6.429 228 HB1 ALA 30 HB1 ALA 30 -2.227 -3.083 -5.349 229 HB2 ALA 30 HB2 ALA 30 -2.396 -3.868 -3.771 230 HB3 ALA 30 HB3 ALA 30 -1.384 -4.604 -5.031 231 H LEU 31 HN LEU 31 -4.187 -5.410 -2.963 232 HA LEU 31 HA LEU 31 -3.358 -8.201 -2.906 233 HB2 LEU 31 HB2 LEU 31 -5.239 -6.588 -1.135 234 HB3 LEU 31 HB3 LEU 31 -4.975 -8.309 -0.927 235 HG LEU 31 HG LEU 31 -3.563 -7.393 0.645 236 HD11 LEU 31 HD11 LEU 31 -1.661 -7.714 -1.711 237 HD12 LEU 31 HD12 LEU 31 -2.353 -9.053 -0.750 238 HD13 LEU 31 HD13 LEU 31 -1.296 -7.858 0.011 239 HD21 LEU 31 HD21 LEU 31 -3.751 -5.081 0.011 240 HD22 LEU 31 HD22 LEU 31 -2.658 -5.315 -1.364 241 HD23 LEU 31 HD23 LEU 31 -2.030 -5.507 0.271 242 H GLY 32 HN GLY 32 -6.571 -6.625 -3.201 243 HA2 GLY 32 HA2 GLY 32 -7.622 -7.703 -5.323 244 HA3 GLY 32 HA1 GLY 32 -7.646 -9.168 -4.357 245 H TYR 33 HN TYR 33 -8.162 -6.634 -2.179 246 HA TYR 33 HA TYR 33 -10.971 -7.230 -1.853 247 HB2 TYR 33 HB2 TYR 33 -9.336 -5.060 -0.510 248 HB3 TYR 33 HB3 TYR 33 -10.841 -5.782 0.041 249 HD1 TYR 33 HD2 TYR 33 -10.836 -8.083 1.068 250 HD2 TYR 33 HD1 TYR 33 -7.225 -6.032 -0.102 251 HE1 TYR 33 HE2 TYR 33 -9.569 -9.347 2.769 252 HE2 TYR 33 HE1 TYR 33 -5.917 -7.356 1.505 253 HH TYR 33 HH TYR 33 -7.452 -9.293 4.033 254 H VAL 34 HN VAL 34 -11.096 -6.455 -4.270 255 HA VAL 34 HA VAL 34 -11.528 -3.599 -4.703 256 HB VAL 34 HB VAL 34 -12.592 -5.967 -6.285 257 HG11 VAL 34 HG11 VAL 34 -13.643 -3.797 -6.870 258 HG12 VAL 34 HG12 VAL 34 -12.045 -3.094 -7.172 259 HG13 VAL 34 HG13 VAL 34 -12.659 -4.417 -8.196 260 HG21 VAL 34 HG21 VAL 34 -10.643 -5.636 -7.809 261 HG22 VAL 34 HG22 VAL 34 -9.957 -4.468 -6.652 262 HG23 VAL 34 HG23 VAL 34 -10.142 -6.184 -6.212 263 H TRP 35 HN TRP 35 -13.662 -2.533 -4.573 264 HA TRP 35 HA TRP 35 -15.730 -3.978 -3.006 265 HB2 TRP 35 HB2 TRP 35 -15.600 -1.608 -2.614 266 HB3 TRP 35 HB3 TRP 35 -15.627 -1.226 -4.342 267 HD1 TRP 35 HD1 TRP 35 -17.951 -1.101 -5.489 268 HE1 TRP 35 HE1 TRP 35 -20.395 -1.169 -4.716 269 HE3 TRP 35 HE3 TRP 35 -17.204 -2.864 -0.727 270 HZ2 TRP 35 HZ2 TRP 35 -21.823 -1.977 -2.343 271 HZ3 TRP 35 HZ3 TRP 35 -19.130 -3.231 0.769 272 HH2 TRP 35 HH2 TRP 35 -21.436 -2.739 -0.006 273 H ASP 36 HN ASP 36 -17.010 -5.435 -4.047 274 HA ASP 36 HA ASP 36 -17.455 -5.065 -6.961 275 HB2 ASP 36 HB2 ASP 36 -16.829 -7.433 -5.765 276 HB3 ASP 36 HB3 ASP 36 -18.551 -7.537 -5.713 277 H GLU 37 HN GLU 37 -18.987 -3.661 -7.227 278 HA GLU 37 HA GLU 37 -21.096 -3.050 -5.502 279 HB2 GLU 37 HB2 GLU 37 -20.417 -1.539 -7.150 280 HB3 GLU 37 HB3 GLU 37 -20.535 -2.702 -8.471 281 HG2 GLU 37 HG2 GLU 37 -22.879 -2.533 -8.604 282 HG3 GLU 37 HG3 GLU 37 -23.034 -1.862 -6.962 283 H ALA 38 HN ALA 38 -20.984 -5.520 -8.072 284 HA ALA 38 HA ALA 38 -23.793 -6.016 -8.221 285 HB1 ALA 38 HB1 ALA 38 -21.555 -8.036 -8.652 286 HB2 ALA 38 HB2 ALA 38 -23.164 -8.028 -9.378 287 HB3 ALA 38 HB3 ALA 38 -21.961 -6.788 -9.830 288 H GLN 39 HN GLN 39 -21.187 -7.385 -6.238 289 HA GLN 39 HA GLN 39 -23.020 -9.153 -4.831 290 HB2 GLN 39 HB2 GLN 39 -20.047 -8.642 -4.447 291 HB3 GLN 39 HB3 GLN 39 -20.985 -9.921 -3.662 292 HG2 GLN 39 HG2 GLN 39 -21.598 -10.868 -5.858 293 HG3 GLN 39 HG3 GLN 39 -20.589 -9.654 -6.628 294 HE21 GLN 39 HE21 GLN 39 -18.487 -10.141 -7.014 295 HE22 GLN 39 HE22 GLN 39 -17.686 -11.580 -6.414 296 H SER 40 HN SER 40 -21.923 -5.953 -4.642 297 HA SER 40 HA SER 40 -21.552 -4.391 -3.254 298 HB2 SER 40 HB2 SER 40 -24.094 -5.433 -2.005 299 HB3 SER 40 HB3 SER 40 -23.331 -3.901 -1.582 300 HG SER 40 HG SER 40 -23.750 -4.425 -4.318 301 H CYS 41 HN CYS 41 -19.684 -6.264 -2.885 302 HA CYS 41 HA CYS 41 -19.180 -5.951 -0.027 303 HB2 CYS 41 HB2 CYS 41 -19.375 -8.717 -1.340 304 HB3 CYS 41 HB3 CYS 41 -18.462 -8.437 0.146 305 HG CYS 41 HG CYS 41 -21.606 -7.540 -0.245 306 H TRP 42 HN TRP 42 -17.058 -6.514 0.562 307 HA TRP 42 HA TRP 42 -14.990 -5.765 -1.276 308 HB2 TRP 42 HB2 TRP 42 -14.936 -6.988 1.518 309 HB3 TRP 42 HB3 TRP 42 -13.539 -6.294 0.674 310 HD1 TRP 42 HD1 TRP 42 -16.157 -5.351 3.091 311 HE1 TRP 42 HE1 TRP 42 -16.483 -2.798 3.232 312 HE3 TRP 42 HE3 TRP 42 -13.578 -3.910 -1.107 313 HZ2 TRP 42 HZ2 TRP 42 -15.403 -0.462 1.990 314 HZ3 TRP 42 HZ3 TRP 42 -13.293 -1.492 -1.596 315 HH2 TRP 42 HH2 TRP 42 -14.124 0.229 -0.057 316 H LYS 43 HN LYS 43 -14.188 -7.085 -2.793 317 HA LYS 43 HA LYS 43 -14.823 -9.810 -3.078 318 HB2 LYS 43 HB2 LYS 43 -12.530 -8.191 -4.234 319 HB3 LYS 43 HB3 LYS 43 -12.860 -9.892 -4.637 320 HG2 LYS 43 HG2 LYS 43 -15.218 -9.175 -5.280 321 HG3 LYS 43 HG3 LYS 43 -14.641 -7.490 -5.119 322 HD2 LYS 43 HD2 LYS 43 -12.734 -8.200 -6.708 323 HD3 LYS 43 HD3 LYS 43 -13.678 -9.693 -6.984 324 HE2 LYS 43 HE2 LYS 43 -15.536 -8.456 -7.863 325 HE3 LYS 43 HE3 LYS 43 -14.994 -6.947 -7.123 326 HZ1 LYS 43 HZ1 LYS 43 -13.812 -8.252 -9.499 327 HZ2 LYS 43 HZ2 LYS 43 -13.257 -6.819 -8.847 328 HZ3 LYS 43 HZ3 LYS 43 -14.748 -6.946 -9.492 329 H THR 44 HN THR 44 -13.911 -11.597 -2.499 330 HA THR 44 HA THR 44 -11.207 -11.654 -1.439 331 HB THR 44 HB THR 44 -11.777 -13.128 0.509 332 HG1 THR 44 HG1 THR 44 -13.864 -12.519 1.436 333 HG21 THR 44 HG21 THR 44 -11.026 -10.735 0.682 334 HG22 THR 44 HG22 THR 44 -12.042 -11.254 2.010 335 HG23 THR 44 HG23 THR 44 -12.727 -10.226 0.739 336 H ASP 45 HN ASP 45 -11.775 -12.244 -3.819 337 HA ASP 45 HA ASP 45 -11.636 -15.240 -3.975 338 HB2 ASP 45 HB2 ASP 45 -12.609 -13.131 -5.926 339 HB3 ASP 45 HB3 ASP 45 -11.820 -14.577 -6.542 340 H LEU 46 HN LEU 46 -10.322 -12.286 -5.642 341 HA LEU 46 HA LEU 46 -8.215 -13.967 -6.679 342 HB2 LEU 46 HB2 LEU 46 -8.523 -10.992 -7.000 343 HB3 LEU 46 HB3 LEU 46 -7.656 -12.097 -8.032 344 HG LEU 46 HG LEU 46 -10.672 -12.046 -7.702 345 HD11 LEU 46 HD11 LEU 46 -10.561 -11.241 -10.065 346 HD12 LEU 46 HD12 LEU 46 -8.797 -11.108 -9.888 347 HD13 LEU 46 HD13 LEU 46 -9.881 -10.122 -8.894 348 HD21 LEU 46 HD21 LEU 46 -8.947 -13.760 -9.527 349 HD22 LEU 46 HD22 LEU 46 -10.732 -13.670 -9.535 350 HD23 LEU 46 HD23 LEU 46 -9.900 -14.348 -8.148 351 H VAL 47 HN VAL 47 -8.457 -12.475 -3.817 352 HA VAL 47 HA VAL 47 -5.768 -11.490 -3.423 353 HB VAL 47 HB VAL 47 -7.476 -10.187 -2.485 354 HG11 VAL 47 HG11 VAL 47 -9.085 -11.112 -0.765 355 HG12 VAL 47 HG12 VAL 47 -9.400 -11.004 -2.487 356 HG13 VAL 47 HG13 VAL 47 -8.886 -12.575 -1.812 357 HG21 VAL 47 HG21 VAL 47 -5.532 -10.560 -0.948 358 HG22 VAL 47 HG22 VAL 47 -7.024 -10.026 -0.163 359 HG23 VAL 47 HG23 VAL 47 -6.517 -11.746 -0.102 360 H ALA 48 HN ALA 48 -4.286 -12.387 -1.936 361 HA ALA 48 HA ALA 48 -4.095 -15.235 -2.038 362 HB1 ALA 48 HB1 ALA 48 -2.080 -14.873 -0.682 363 HB2 ALA 48 HB2 ALA 48 -2.183 -13.590 -1.889 364 HB3 ALA 48 HB3 ALA 48 -2.640 -13.254 -0.215 365 HA PRO 49 HA PRO 49 -6.476 -16.262 1.630 366 HB2 PRO 49 HB2 PRO 49 -5.442 -18.679 2.306 367 HB3 PRO 49 HB3 PRO 49 -6.500 -18.420 0.880 368 HG2 PRO 49 HG2 PRO 49 -3.488 -18.611 1.000 369 HG3 PRO 49 HG3 PRO 49 -4.602 -19.386 -0.174 370 HD2 PRO 49 HD2 PRO 49 -3.256 -17.076 -0.756 371 HD3 PRO 49 HD3 PRO 49 -4.914 -17.386 -1.361 372 H GLU 50 HN GLU 50 -2.978 -15.796 1.862 373 HA GLU 50 HA GLU 50 -2.918 -15.829 4.720 374 HB2 GLU 50 HB2 GLU 50 -0.907 -14.651 4.621 375 HB3 GLU 50 HB3 GLU 50 -0.898 -15.757 3.265 376 HG2 GLU 50 HG2 GLU 50 -1.409 -13.939 1.738 377 HG3 GLU 50 HG3 GLU 50 -1.595 -12.797 3.067 378 H TRP 51 HN TRP 51 -4.153 -13.485 2.394 379 HA TRP 51 HA TRP 51 -4.253 -11.293 4.347 380 HB2 TRP 51 HB2 TRP 51 -4.406 -11.560 1.355 381 HB3 TRP 51 HB3 TRP 51 -5.137 -10.177 2.100 382 HD1 TRP 51 HD1 TRP 51 -1.845 -11.430 0.981 383 HE1 TRP 51 HE1 TRP 51 -0.021 -9.737 1.434 384 HE3 TRP 51 HE3 TRP 51 -4.467 -8.243 4.017 385 HZ2 TRP 51 HZ2 TRP 51 0.375 -7.396 3.090 386 HZ3 TRP 51 HZ3 TRP 51 -3.350 -6.263 4.975 387 HH2 TRP 51 HH2 TRP 51 -0.954 -5.799 4.511 388 H ARG 52 HN ARG 52 -6.544 -12.860 2.071 389 HA ARG 52 HA ARG 52 -8.866 -11.740 3.434 390 HB2 ARG 52 HB2 ARG 52 -10.163 -13.270 1.970 391 HB3 ARG 52 HB3 ARG 52 -9.107 -12.128 1.155 392 HG2 ARG 52 HG2 ARG 52 -7.501 -13.818 0.663 393 HG3 ARG 52 HG3 ARG 52 -8.324 -15.041 1.652 394 HD2 ARG 52 HD2 ARG 52 -9.883 -13.706 -0.537 395 HD3 ARG 52 HD3 ARG 52 -8.528 -14.621 -1.077 396 HE ARG 52 HE ARG 52 -10.359 -15.935 0.898 397 HH11 ARG 52 HH11 ARG 52 -9.156 -15.859 -2.545 398 HH12 ARG 52 HH12 ARG 52 -10.198 -17.168 -3.039 399 HH21 ARG 52 HH21 ARG 52 -11.653 -17.684 0.137 400 HH22 ARG 52 HH22 ARG 52 -11.857 -17.837 -1.569 401 H GLN 53 HN GLN 53 -6.892 -13.642 4.956 402 HA GLN 53 HA GLN 53 -8.286 -16.052 5.437 403 HB2 GLN 53 HB2 GLN 53 -5.765 -15.107 5.983 404 HB3 GLN 53 HB3 GLN 53 -6.473 -14.978 7.571 405 HG2 GLN 53 HG2 GLN 53 -7.090 -17.309 7.559 406 HG3 GLN 53 HG3 GLN 53 -6.679 -17.469 5.839 407 HE21 GLN 53 HE21 GLN 53 -4.417 -17.306 5.222 408 HE22 GLN 53 HE22 GLN 53 -3.189 -17.915 6.350 409 H ASP 54 HN ASP 54 -8.362 -12.905 7.103 410 HA ASP 54 HA ASP 54 -10.752 -13.737 8.630 411 HB2 ASP 54 HB2 ASP 54 -8.152 -12.657 9.799 412 HB3 ASP 54 HB3 ASP 54 -9.672 -12.761 10.678 413 H TYR 55 HN TYR 55 -9.848 -11.763 6.401 414 HA TYR 55 HA TYR 55 -10.232 -9.110 7.651 415 HB2 TYR 55 HB2 TYR 55 -8.808 -10.081 5.191 416 HB3 TYR 55 HB3 TYR 55 -9.442 -8.456 5.232 417 HD1 TYR 55 HD2 TYR 55 -7.705 -10.356 8.012 418 HD2 TYR 55 HD1 TYR 55 -7.662 -6.980 5.296 419 HE1 TYR 55 HE2 TYR 55 -5.884 -9.362 9.280 420 HE2 TYR 55 HE1 TYR 55 -5.850 -5.981 6.570 421 HH TYR 55 HH TYR 55 -5.171 -6.028 8.881 422 HA PRO 56 HA PRO 56 -14.241 -9.569 5.344 423 HB2 PRO 56 HB2 PRO 56 -15.910 -8.523 7.209 424 HB3 PRO 56 HB3 PRO 56 -15.295 -10.207 7.313 425 HG2 PRO 56 HG2 PRO 56 -14.167 -7.765 8.698 426 HG3 PRO 56 HG3 PRO 56 -14.649 -9.325 9.446 427 HD2 PRO 56 HD2 PRO 56 -12.075 -8.840 8.724 428 HD3 PRO 56 HD3 PRO 56 -12.808 -10.452 8.467 429 H GLU 57 HN GLU 57 -12.230 -6.989 6.545 430 HA GLU 57 HA GLU 57 -13.825 -4.956 5.041 431 HB2 GLU 57 HB2 GLU 57 -12.758 -4.814 7.899 432 HB3 GLU 57 HB3 GLU 57 -13.053 -3.377 6.934 433 HG2 GLU 57 HG2 GLU 57 -15.423 -4.550 6.517 434 HG3 GLU 57 HG3 GLU 57 -15.040 -5.313 8.068 435 HA PRO 58 HA PRO 58 -9.963 -3.748 3.322 436 HB2 PRO 58 HB2 PRO 58 -10.097 -0.979 3.400 437 HB3 PRO 58 HB3 PRO 58 -10.818 -2.037 2.143 438 HG2 PRO 58 HG2 PRO 58 -12.119 -0.765 4.548 439 HG3 PRO 58 HG3 PRO 58 -12.768 -0.958 2.883 440 HD2 PRO 58 HD2 PRO 58 -13.513 -2.607 4.906 441 HD3 PRO 58 HD3 PRO 58 -13.247 -3.236 3.251 442 HA PRO 59 HA PRO 59 -7.314 -2.635 6.783 443 HB2 PRO 59 HB2 PRO 59 -4.980 -2.077 5.498 444 HB3 PRO 59 HB3 PRO 59 -5.631 -3.747 5.690 445 HG2 PRO 59 HG2 PRO 59 -5.835 -1.958 3.269 446 HG3 PRO 59 HG3 PRO 59 -5.417 -3.697 3.359 447 HD2 PRO 59 HD2 PRO 59 -7.946 -2.880 2.773 448 HD3 PRO 59 HD3 PRO 59 -7.578 -4.338 3.728 449 H ASP 60 HN ASP 60 -7.939 -0.804 7.704 450 HA ASP 60 HA ASP 60 -7.819 1.815 6.362 451 HB2 ASP 60 HB2 ASP 60 -9.521 1.209 8.202 452 HB3 ASP 60 HB3 ASP 60 -8.187 1.475 9.355 453 H PHE 61 HN PHE 61 -5.670 2.016 5.788 454 HA PHE 61 HA PHE 61 -3.499 1.528 7.604 455 HB2 PHE 61 HB2 PHE 61 -3.621 3.195 5.071 456 HB3 PHE 61 HB3 PHE 61 -2.137 2.807 5.931 457 HD1 PHE 61 HD1 PHE 61 -1.636 0.278 6.424 458 HD2 PHE 61 HD2 PHE 61 -4.470 1.667 3.435 459 HE1 PHE 61 HE1 PHE 61 -1.482 -1.911 5.231 460 HE2 PHE 61 HE2 PHE 61 -4.297 -0.511 2.281 461 HZ PHE 61 HZ PHE 61 -2.836 -2.307 3.177 462 H ILE 62 HN ILE 62 -5.679 4.241 7.411 463 HA ILE 62 HA ILE 62 -3.613 6.124 8.379 464 HB ILE 62 HB ILE 62 -6.493 6.655 7.511 465 HG12 ILE 62 HG12 ILE 62 -3.867 6.996 6.002 466 HG13 ILE 62 HG13 ILE 62 -5.125 5.826 5.624 467 HG21 ILE 62 HG21 ILE 62 -4.170 8.587 7.958 468 HG22 ILE 62 HG22 ILE 62 -5.845 9.002 7.538 469 HG23 ILE 62 HG23 ILE 62 -5.485 8.312 9.118 470 HD11 ILE 62 HD11 ILE 62 -5.282 7.639 4.057 471 HD12 ILE 62 HD12 ILE 62 -6.703 7.694 5.116 472 HD13 ILE 62 HD13 ILE 62 -5.352 8.841 5.336 473 H ALA 63 HN ALA 63 -6.930 5.018 9.200 474 HA ALA 63 HA ALA 63 -6.887 6.357 11.752 475 HB1 ALA 63 HB1 ALA 63 -8.869 4.283 10.806 476 HB2 ALA 63 HB2 ALA 63 -9.145 5.665 11.877 477 HB3 ALA 63 HB3 ALA 63 -8.874 5.946 10.150 478 H SER 64 HN SER 64 -5.397 3.431 10.884 479 HA SER 64 HA SER 64 -5.270 2.602 13.657 480 HB2 SER 64 HB2 SER 64 -7.359 1.552 12.556 481 HB3 SER 64 HB3 SER 64 -6.208 0.553 11.644 482 HG SER 64 HG SER 64 -7.099 0.312 14.157 483 H ARG 65 HN ARG 65 -3.833 0.319 13.533 484 HA ARG 65 HA ARG 65 -2.219 0.389 11.154 485 HB2 ARG 65 HB2 ARG 65 0.025 0.494 12.264 486 HB3 ARG 65 HB3 ARG 65 -0.910 1.960 12.317 487 HG2 ARG 65 HG2 ARG 65 0.083 1.890 14.370 488 HG3 ARG 65 HG3 ARG 65 -1.561 1.408 14.724 489 HD2 ARG 65 HD2 ARG 65 -0.869 -0.920 14.964 490 HD3 ARG 65 HD3 ARG 65 0.761 -0.543 14.340 491 HE ARG 65 HE ARG 65 0.392 1.104 16.531 492 HH11 ARG 65 HH11 ARG 65 0.289 -2.440 16.086 493 HH12 ARG 65 HH12 ARG 65 0.763 -2.787 17.714 494 HH21 ARG 65 HH21 ARG 65 1.236 0.629 18.613 495 HH22 ARG 65 HH22 ARG 65 1.156 -1.004 19.191 496 HA PRO 66 HA PRO 66 -2.467 -3.935 12.955 497 HB2 PRO 66 HB2 PRO 66 -4.625 -4.985 11.607 498 HB3 PRO 66 HB3 PRO 66 -4.761 -4.189 13.199 499 HG2 PRO 66 HG2 PRO 66 -5.215 -2.948 10.464 500 HG3 PRO 66 HG3 PRO 66 -6.291 -2.853 11.887 501 HD2 PRO 66 HD2 PRO 66 -4.591 -0.870 11.278 502 HD3 PRO 66 HD3 PRO 66 -4.805 -1.393 12.972 503 H ALA 67 HN ALA 67 -3.607 -2.961 9.669 504 HA ALA 67 HA ALA 67 -2.478 -5.244 8.411 505 HB1 ALA 67 HB1 ALA 67 -3.273 -2.607 7.138 506 HB2 ALA 67 HB2 ALA 67 -3.091 -4.165 6.321 507 HB3 ALA 67 HB3 ALA 67 -4.389 -3.941 7.521 508 H THR 68 HN THR 68 -1.074 -2.137 9.278 509 HA THR 68 HA THR 68 1.101 -1.931 7.621 510 HB THR 68 HB THR 68 1.131 -1.605 10.649 511 HG1 THR 68 HG1 THR 68 0.187 0.329 8.793 512 HG21 THR 68 HG21 THR 68 2.522 0.402 10.054 513 HG22 THR 68 HG22 THR 68 2.532 -0.187 8.372 514 HG23 THR 68 HG23 THR 68 3.270 -1.155 9.651 515 H VAL 69 HN VAL 69 0.706 -4.207 10.436 516 HA VAL 69 HA VAL 69 3.373 -5.300 10.250 517 HB VAL 69 HB VAL 69 0.793 -6.520 11.334 518 HG11 VAL 69 HG11 VAL 69 2.291 -7.972 12.677 519 HG12 VAL 69 HG12 VAL 69 2.487 -8.274 10.943 520 HG13 VAL 69 HG13 VAL 69 3.696 -7.309 11.813 521 HG21 VAL 69 HG21 VAL 69 1.714 -5.784 13.552 522 HG22 VAL 69 HG22 VAL 69 2.952 -4.855 12.695 523 HG23 VAL 69 HG23 VAL 69 1.223 -4.447 12.524 524 H LYS 70 HN LYS 70 0.226 -6.090 8.780 525 HA LYS 70 HA LYS 70 1.139 -8.555 7.655 526 HB2 LYS 70 HB2 LYS 70 -1.215 -7.776 8.284 527 HB3 LYS 70 HB3 LYS 70 -1.265 -6.940 6.733 528 HG2 LYS 70 HG2 LYS 70 -1.102 -9.043 5.538 529 HG3 LYS 70 HG3 LYS 70 -0.490 -9.877 6.949 530 HD2 LYS 70 HD2 LYS 70 -2.758 -9.401 8.084 531 HD3 LYS 70 HD3 LYS 70 -3.323 -8.813 6.525 532 HE2 LYS 70 HE2 LYS 70 -4.017 -11.094 6.771 533 HE3 LYS 70 HE3 LYS 70 -2.744 -11.054 5.540 534 HZ1 LYS 70 HZ1 LYS 70 -2.287 -11.762 8.362 535 HZ2 LYS 70 HZ2 LYS 70 -1.213 -11.952 7.088 536 HZ3 LYS 70 HZ3 LYS 70 -2.588 -12.850 7.191 537 H LEU 71 HN LEU 71 1.087 -5.210 6.467 538 HA LEU 71 HA LEU 71 2.063 -5.767 3.820 539 HB2 LEU 71 HB2 LEU 71 2.679 -3.374 5.601 540 HB3 LEU 71 HB3 LEU 71 3.024 -3.464 3.904 541 HG LEU 71 HG LEU 71 0.307 -3.406 5.130 542 HD11 LEU 71 HD11 LEU 71 0.310 -1.121 3.977 543 HD12 LEU 71 HD12 LEU 71 2.019 -1.381 3.644 544 HD13 LEU 71 HD13 LEU 71 1.449 -1.281 5.330 545 HD21 LEU 71 HD21 LEU 71 0.749 -2.988 2.202 546 HD22 LEU 71 HD22 LEU 71 -0.743 -3.274 3.075 547 HD23 LEU 71 HD23 LEU 71 0.392 -4.606 2.852 548 H THR 72 HN THR 72 3.762 -5.323 7.016 549 HA THR 72 HA THR 72 6.355 -5.098 6.038 550 HB THR 72 HB THR 72 5.379 -6.383 8.626 551 HG1 THR 72 HG1 THR 72 5.482 -4.402 9.478 552 HG21 THR 72 HG21 THR 72 7.679 -6.894 8.337 553 HG22 THR 72 HG22 THR 72 7.542 -5.606 9.551 554 HG23 THR 72 HG23 THR 72 8.058 -5.215 7.893 555 H ARG 73 HN ARG 73 4.431 -7.935 6.626 556 HA ARG 73 HA ARG 73 6.190 -10.025 6.519 557 HB2 ARG 73 HB2 ARG 73 3.582 -9.856 4.940 558 HB3 ARG 73 HB3 ARG 73 4.376 -11.342 5.394 559 HG2 ARG 73 HG2 ARG 73 3.661 -9.471 7.638 560 HG3 ARG 73 HG3 ARG 73 2.336 -10.193 6.781 561 HD2 ARG 73 HD2 ARG 73 3.012 -11.382 8.827 562 HD3 ARG 73 HD3 ARG 73 2.972 -12.388 7.372 563 HE ARG 73 HE ARG 73 5.183 -12.813 7.575 564 HH11 ARG 73 HH11 ARG 73 4.479 -9.955 9.592 565 HH12 ARG 73 HH12 ARG 73 5.927 -10.148 10.535 566 HH21 ARG 73 HH21 ARG 73 7.124 -12.967 8.828 567 HH22 ARG 73 HH22 ARG 73 7.397 -11.844 10.122 568 H SER 74 HN SER 74 4.717 -8.498 3.678 569 HA SER 74 HA SER 74 6.392 -9.814 1.754 570 HB2 SER 74 HB2 SER 74 5.088 -8.512 0.171 571 HB3 SER 74 HB3 SER 74 4.010 -9.109 1.462 572 HG SER 74 HG SER 74 4.518 -6.957 2.489 573 H ILE 75 HN ILE 75 7.267 -7.276 3.793 574 HA ILE 75 HA ILE 75 9.067 -6.007 1.795 575 HB ILE 75 HB ILE 75 8.248 -4.968 4.513 576 HG12 ILE 75 HG12 ILE 75 7.368 -4.019 1.733 577 HG13 ILE 75 HG13 ILE 75 6.364 -4.996 2.792 578 HG21 ILE 75 HG21 ILE 75 10.525 -4.257 3.592 579 HG22 ILE 75 HG22 ILE 75 9.681 -3.576 2.200 580 HG23 ILE 75 HG23 ILE 75 9.400 -2.922 3.833 581 HD11 ILE 75 HD11 ILE 75 5.655 -2.742 3.041 582 HD12 ILE 75 HD12 ILE 75 6.478 -3.198 4.539 583 HD13 ILE 75 HD13 ILE 75 7.296 -2.159 3.341 584 HA PRO 76 HA PRO 76 11.904 -8.826 4.175 585 HB2 PRO 76 HB2 PRO 76 13.328 -9.775 2.094 586 HB3 PRO 76 HB3 PRO 76 11.620 -10.257 2.270 587 HG2 PRO 76 HG2 PRO 76 12.564 -7.972 0.569 588 HG3 PRO 76 HG3 PRO 76 11.663 -9.455 0.064 589 HD2 PRO 76 HD2 PRO 76 10.255 -7.286 0.769 590 HD3 PRO 76 HD3 PRO 76 9.789 -8.883 1.396 591 H ALA 77 HN ALA 77 14.530 -8.827 3.761 592 HA ALA 77 HA ALA 77 15.440 -6.271 4.639 593 HB1 ALA 77 HB1 ALA 77 16.540 -8.346 5.303 594 HB2 ALA 77 HB2 ALA 77 17.035 -8.648 3.628 595 HB3 ALA 77 HB3 ALA 77 17.674 -7.251 4.501 596 HA PRO 78 HA PRO 78 17.286 -5.539 0.347 597 HB2 PRO 78 HB2 PRO 78 16.273 -6.800 -1.906 598 HB3 PRO 78 HB3 PRO 78 17.617 -7.451 -0.929 599 HG2 PRO 78 HG2 PRO 78 14.651 -8.091 -0.706 600 HG3 PRO 78 HG3 PRO 78 16.014 -9.248 -0.827 601 HD2 PRO 78 HD2 PRO 78 15.033 -8.699 1.539 602 HD3 PRO 78 HD3 PRO 78 16.803 -8.743 1.333 603 H TYR 79 HN TYR 79 13.957 -5.568 1.138 604 HA TYR 79 HA TYR 79 13.315 -3.633 -1.033 605 HB2 TYR 79 HB2 TYR 79 11.634 -5.714 0.356 606 HB3 TYR 79 HB3 TYR 79 10.963 -4.511 -0.726 607 HD1 TYR 79 HD2 TYR 79 13.692 -4.782 -2.607 608 HD2 TYR 79 HD1 TYR 79 10.590 -7.524 -1.232 609 HE1 TYR 79 HE2 TYR 79 14.072 -6.110 -4.471 610 HE2 TYR 79 HE1 TYR 79 10.923 -8.835 -3.259 611 HH TYR 79 HH TYR 79 12.301 -9.170 -5.288 612 H LYS 80 HN LYS 80 14.325 -3.299 1.895 613 HA LYS 80 HA LYS 80 12.137 -2.410 3.503 614 HB2 LYS 80 HB2 LYS 80 15.124 -1.762 3.691 615 HB3 LYS 80 HB3 LYS 80 13.961 -1.269 4.905 616 HG2 LYS 80 HG2 LYS 80 14.559 -4.143 4.150 617 HG3 LYS 80 HG3 LYS 80 15.170 -3.297 5.573 618 HD2 LYS 80 HD2 LYS 80 12.798 -3.043 6.387 619 HD3 LYS 80 HD3 LYS 80 12.256 -3.942 4.955 620 HE2 LYS 80 HE2 LYS 80 12.317 -5.600 6.563 621 HE3 LYS 80 HE3 LYS 80 13.803 -5.824 5.658 622 HZ1 LYS 80 HZ1 LYS 80 14.919 -4.513 7.484 623 HZ2 LYS 80 HZ2 LYS 80 14.301 -5.969 7.922 624 HZ3 LYS 80 HZ3 LYS 80 13.517 -4.582 8.332 625 H GLN 81 HN GLN 81 14.281 -0.463 1.385 626 HA GLN 81 HA GLN 81 12.493 1.813 1.970 627 HB2 GLN 81 HB2 GLN 81 14.303 3.344 1.909 628 HB3 GLN 81 HB3 GLN 81 14.324 2.173 3.245 629 HG2 GLN 81 HG2 GLN 81 15.897 0.863 2.287 630 HG3 GLN 81 HG3 GLN 81 15.848 1.704 0.738 631 HE21 GLN 81 HE21 GLN 81 18.338 1.373 1.936 632 HE22 GLN 81 HE22 GLN 81 18.919 2.956 2.497 633 H LEU 82 HN LEU 82 11.858 0.196 -0.173 634 HA LEU 82 HA LEU 82 13.123 0.906 -2.633 635 HB2 LEU 82 HB2 LEU 82 10.354 -0.145 -2.060 636 HB3 LEU 82 HB3 LEU 82 11.038 0.052 -3.686 637 HG LEU 82 HG LEU 82 12.229 -1.747 -1.573 638 HD11 LEU 82 HD11 LEU 82 9.983 -2.524 -2.271 639 HD12 LEU 82 HD12 LEU 82 11.252 -3.608 -2.868 640 HD13 LEU 82 HD13 LEU 82 10.513 -2.480 -3.979 641 HD21 LEU 82 HD21 LEU 82 12.792 -1.569 -4.558 642 HD22 LEU 82 HD22 LEU 82 13.477 -2.762 -3.436 643 HD23 LEU 82 HD23 LEU 82 13.897 -1.060 -3.259 644 H LEU 83 HN LEU 83 10.776 2.579 -0.670 645 HA LEU 83 HA LEU 83 9.711 4.373 -2.617 646 HB2 LEU 83 HB2 LEU 83 9.907 4.212 0.333 647 HB3 LEU 83 HB3 LEU 83 10.131 5.860 -0.230 648 HG LEU 83 HG LEU 83 7.724 4.091 -0.775 649 HD11 LEU 83 HD11 LEU 83 8.149 6.590 0.922 650 HD12 LEU 83 HD12 LEU 83 7.774 4.953 1.480 651 HD13 LEU 83 HD13 LEU 83 6.572 5.864 0.563 652 HD21 LEU 83 HD21 LEU 83 7.694 5.344 -2.705 653 HD22 LEU 83 HD22 LEU 83 8.525 6.735 -1.995 654 HD23 LEU 83 HD23 LEU 83 6.818 6.425 -1.640 655 H LYS 84 HN LYS 84 12.904 4.255 -1.116 656 HA LYS 84 HA LYS 84 13.598 6.828 -2.454 657 HB2 LYS 84 HB2 LYS 84 13.808 7.076 -0.120 658 HB3 LYS 84 HB3 LYS 84 14.708 5.548 0.059 659 HG2 LYS 84 HG2 LYS 84 16.629 6.391 -0.926 660 HG3 LYS 84 HG3 LYS 84 15.791 7.663 -1.787 661 HD2 LYS 84 HD2 LYS 84 16.191 9.169 -0.195 662 HD3 LYS 84 HD3 LYS 84 15.504 8.140 1.078 663 HE2 LYS 84 HE2 LYS 84 17.698 6.876 1.134 664 HE3 LYS 84 HE3 LYS 84 18.322 7.959 -0.109 665 HZ1 LYS 84 HZ1 LYS 84 17.519 8.789 2.604 666 HZ2 LYS 84 HZ2 LYS 84 18.152 9.791 1.467 667 HZ3 LYS 84 HZ3 LYS 84 19.064 8.562 2.065 668 H GLU 85 HN GLU 85 14.605 3.453 -1.990 669 HA GLU 85 HA GLU 85 16.966 3.464 -3.496 670 HB2 GLU 85 HB2 GLU 85 14.883 1.259 -3.580 671 HB3 GLU 85 HB3 GLU 85 16.575 1.124 -4.056 672 HG2 GLU 85 HG2 GLU 85 16.413 2.219 -1.352 673 HG3 GLU 85 HG3 GLU 85 15.424 0.783 -1.487 674 H GLU 86 HN GLU 86 13.603 2.959 -4.655 675 HA GLU 86 HA GLU 86 14.501 2.765 -7.416 676 HB2 GLU 86 HB2 GLU 86 11.673 2.721 -6.336 677 HB3 GLU 86 HB3 GLU 86 12.256 2.143 -7.888 678 HG2 GLU 86 HG2 GLU 86 13.161 0.881 -5.268 679 HG3 GLU 86 HG3 GLU 86 11.652 0.477 -6.028 680 H LEU 87 HN LEU 87 11.917 4.597 -5.800 681 HA LEU 87 HA LEU 87 11.688 6.462 -7.985 682 HB2 LEU 87 HB2 LEU 87 10.501 6.564 -5.180 683 HB3 LEU 87 HB3 LEU 87 10.013 7.588 -6.522 684 HG LEU 87 HG LEU 87 9.786 4.569 -6.689 685 HD11 LEU 87 HD11 LEU 87 7.522 4.667 -5.933 686 HD12 LEU 87 HD12 LEU 87 7.531 6.423 -5.838 687 HD13 LEU 87 HD13 LEU 87 8.515 5.466 -4.699 688 HD21 LEU 87 HD21 LEU 87 9.549 5.927 -8.779 689 HD22 LEU 87 HD22 LEU 87 8.168 6.782 -8.010 690 HD23 LEU 87 HD23 LEU 87 8.074 5.044 -8.352 691 H GLY 88 HN GLY 88 13.275 6.572 -4.832 692 HA2 GLY 88 HA2 GLY 88 14.922 8.123 -4.111 693 HA3 GLY 88 HA1 GLY 88 14.654 9.051 -5.571 694 H PHE 89 HN PHE 89 11.857 8.221 -3.475 695 HA PHE 89 HA PHE 89 11.450 11.054 -2.845 696 HB2 PHE 89 HB2 PHE 89 9.473 9.977 -3.163 697 HB3 PHE 89 HB3 PHE 89 9.960 8.558 -2.223 698 HD1 PHE 89 HD1 PHE 89 9.861 12.309 -1.498 699 HD2 PHE 89 HD2 PHE 89 8.638 8.324 -0.379 700 HE1 PHE 89 HE1 PHE 89 8.886 13.188 0.642 701 HE2 PHE 89 HE2 PHE 89 7.647 9.215 1.707 702 HZ PHE 89 HZ PHE 89 7.818 11.618 2.212 703 H ALA 90 HN ALA 90 12.779 11.947 -1.346 704 HA ALA 90 HA ALA 90 12.434 10.854 1.325 705 HB1 ALA 90 HB1 ALA 90 14.559 10.089 1.205 706 HB2 ALA 90 HB2 ALA 90 15.172 11.487 0.267 707 HB3 ALA 90 HB3 ALA 90 14.725 11.671 1.990 708 H GLY 91 HN GLY 91 11.034 12.595 1.800 709 HA2 GLY 91 HA2 GLY 91 12.307 15.216 1.840 710 HA3 GLY 91 HA1 GLY 91 10.845 15.167 0.832 711 H TYR 92 HN TYR 92 9.893 13.166 3.092 712 HA TYR 92 HA TYR 92 8.863 15.071 4.972 713 HB2 TYR 92 HB2 TYR 92 9.072 12.060 5.253 714 HB3 TYR 92 HB3 TYR 92 8.144 13.131 6.296 715 HD1 TYR 92 HD1 TYR 92 7.537 14.718 3.297 716 HD2 TYR 92 HD2 TYR 92 6.767 10.891 5.177 717 HE1 TYR 92 HE1 TYR 92 5.733 14.350 1.772 718 HE2 TYR 92 HE2 TYR 92 4.804 10.593 3.689 719 HH TYR 92 HH TYR 92 3.905 12.975 1.160 720 H SER 93 HN SER 93 10.497 16.279 5.797 721 HA SER 93 HA SER 93 12.916 15.421 7.063 722 HB2 SER 93 HB2 SER 93 12.196 17.829 8.219 723 HB3 SER 93 HB3 SER 93 13.065 17.680 6.705 724 HG SER 93 HG SER 93 11.144 19.068 6.772 725 H ILE 94 HN ILE 94 13.307 15.690 9.384 726 HA ILE 94 HA ILE 94 11.537 14.203 10.975 727 HB ILE 94 HB ILE 94 13.834 14.382 11.523 728 HG12 ILE 94 HG12 ILE 94 13.638 14.866 13.989 729 HG13 ILE 94 HG13 ILE 94 12.059 15.537 13.739 730 HG21 ILE 94 HG21 ILE 94 13.380 17.277 12.313 731 HG22 ILE 94 HG22 ILE 94 14.878 16.347 12.494 732 HG23 ILE 94 HG23 ILE 94 14.274 16.721 10.881 733 HD11 ILE 94 HD11 ILE 94 11.163 13.356 13.009 734 HD12 ILE 94 HD12 ILE 94 12.798 12.660 13.040 735 HD13 ILE 94 HD13 ILE 94 12.023 13.152 14.543 736 H ASN 95 HN ASN 95 11.762 17.702 10.610 737 HA ASN 95 HA ASN 95 9.950 18.417 12.623 738 HB2 ASN 95 HB2 ASN 95 10.000 19.923 9.977 739 HB3 ASN 95 HB3 ASN 95 9.795 20.562 11.597 740 HD21 ASN 95 HD21 ASN 95 12.032 20.037 9.051 741 HD22 ASN 95 HD22 ASN 95 13.515 20.189 9.976 742 H GLU 96 HN GLU 96 9.379 16.865 9.590 743 HA GLU 96 HA GLU 96 6.609 17.846 9.206 744 HB2 GLU 96 HB2 GLU 96 8.807 16.597 7.511 745 HB3 GLU 96 HB3 GLU 96 7.170 16.485 6.972 746 HG2 GLU 96 HG2 GLU 96 8.540 19.126 7.691 747 HG3 GLU 96 HG3 GLU 96 8.550 18.408 6.100 748 H LEU 97 HN LEU 97 8.197 15.226 10.742 749 HA LEU 97 HA LEU 97 6.882 13.171 9.224 750 HB2 LEU 97 HB2 LEU 97 9.074 13.440 11.178 751 HB3 LEU 97 HB3 LEU 97 8.176 11.998 11.479 752 HG LEU 97 HG LEU 97 9.414 12.762 8.795 753 HD11 LEU 97 HD11 LEU 97 11.029 10.994 9.281 754 HD12 LEU 97 HD12 LEU 97 10.238 10.645 10.839 755 HD13 LEU 97 HD13 LEU 97 11.066 12.196 10.576 756 HD21 LEU 97 HD21 LEU 97 8.063 10.164 9.644 757 HD22 LEU 97 HD22 LEU 97 8.970 10.408 8.140 758 HD23 LEU 97 HD23 LEU 97 7.473 11.301 8.399 759 H VAL 98 HN VAL 98 4.711 13.930 9.581 760 HA VAL 98 HA VAL 98 3.579 13.430 12.239 761 HB VAL 98 HB VAL 98 1.644 14.650 11.424 762 HG11 VAL 98 HG11 VAL 98 2.547 16.771 11.069 763 HG12 VAL 98 HG12 VAL 98 3.745 15.922 12.087 764 HG13 VAL 98 HG13 VAL 98 4.027 16.164 10.343 765 HG21 VAL 98 HG21 VAL 98 1.751 15.682 9.069 766 HG22 VAL 98 HG22 VAL 98 2.969 14.437 8.732 767 HG23 VAL 98 HG23 VAL 98 1.317 13.970 9.165 768 HA PRO 99 HA PRO 99 1.519 9.673 11.079 769 HB2 PRO 99 HB2 PRO 99 -0.723 9.667 12.622 770 HB3 PRO 99 HB3 PRO 99 0.926 9.484 13.299 771 HG2 PRO 99 HG2 PRO 99 -0.687 12.037 13.078 772 HG3 PRO 99 HG3 PRO 99 0.109 11.361 14.521 773 HD2 PRO 99 HD2 PRO 99 1.380 13.218 13.064 774 HD3 PRO 99 HD3 PRO 99 2.285 11.812 13.686 775 H ARG 100 HN ARG 100 0.032 12.815 10.359 776 HA ARG 100 HA ARG 100 -1.934 11.452 8.603 777 HB2 ARG 100 HB2 ARG 100 -1.368 14.365 9.245 778 HB3 ARG 100 HB3 ARG 100 -2.189 13.938 7.755 779 HG2 ARG 100 HG2 ARG 100 -3.729 12.443 9.340 780 HG3 ARG 100 HG3 ARG 100 -3.136 13.536 10.591 781 HD2 ARG 100 HD2 ARG 100 -5.235 14.361 9.732 782 HD3 ARG 100 HD3 ARG 100 -3.969 15.471 9.210 783 HE ARG 100 HE ARG 100 -4.135 14.676 6.998 784 HH11 ARG 100 HH11 ARG 100 -6.851 13.478 8.999 785 HH12 ARG 100 HH12 ARG 100 -7.597 12.691 7.610 786 HH21 ARG 100 HH21 ARG 100 -5.195 13.641 5.242 787 HH22 ARG 100 HH22 ARG 100 -6.771 12.978 5.469 788 H LYS 101 HN LYS 101 1.350 11.670 8.308 789 HA LYS 101 HA LYS 101 1.004 11.607 5.342 790 HB2 LYS 101 HB2 LYS 101 2.621 13.114 4.911 791 HB3 LYS 101 HB3 LYS 101 1.996 13.782 6.416 792 HG2 LYS 101 HG2 LYS 101 3.908 12.600 7.603 793 HG3 LYS 101 HG3 LYS 101 4.532 12.150 6.026 794 HD2 LYS 101 HD2 LYS 101 4.167 14.925 7.167 795 HD3 LYS 101 HD3 LYS 101 5.690 14.090 6.797 796 HE2 LYS 101 HE2 LYS 101 5.755 15.103 4.869 797 HE3 LYS 101 HE3 LYS 101 4.208 14.389 4.380 798 HZ1 LYS 101 HZ1 LYS 101 3.162 16.268 5.557 799 HZ2 LYS 101 HZ2 LYS 101 4.044 16.685 4.261 800 HZ3 LYS 101 HZ3 LYS 101 4.659 16.954 5.781 801 H THR 102 HN THR 102 2.874 10.363 8.156 802 HA THR 102 HA THR 102 4.599 8.744 6.634 803 HB THR 102 HB THR 102 4.609 7.308 8.735 804 HG1 THR 102 HG1 THR 102 3.596 8.160 10.496 805 HG21 THR 102 HG21 THR 102 6.130 9.231 8.336 806 HG22 THR 102 HG22 THR 102 5.749 8.970 10.041 807 HG23 THR 102 HG23 THR 102 4.979 10.311 9.157 808 H ARG 103 HN ARG 103 1.299 8.144 7.730 809 HA ARG 103 HA ARG 103 0.948 5.440 7.223 810 HB2 ARG 103 HB2 ARG 103 -0.873 7.860 6.945 811 HB3 ARG 103 HB3 ARG 103 -1.468 6.240 6.605 812 HG2 ARG 103 HG2 ARG 103 -1.900 7.175 8.920 813 HG3 ARG 103 HG3 ARG 103 -1.263 5.526 8.800 814 HD2 ARG 103 HD2 ARG 103 0.852 6.113 9.613 815 HD3 ARG 103 HD3 ARG 103 0.472 7.839 9.511 816 HE ARG 103 HE ARG 103 -1.534 6.730 11.080 817 HH11 ARG 103 HH11 ARG 103 2.019 6.961 11.363 818 HH12 ARG 103 HH12 ARG 103 2.003 7.083 13.075 819 HH21 ARG 103 HH21 ARG 103 -1.542 6.842 13.332 820 HH22 ARG 103 HH22 ARG 103 -0.029 6.799 14.228 821 H ARG 104 HN ARG 104 0.296 8.046 4.806 822 HA ARG 104 HA ARG 104 -0.081 6.179 2.723 823 HB2 ARG 104 HB2 ARG 104 -0.187 8.004 1.239 824 HB3 ARG 104 HB3 ARG 104 -1.042 8.354 2.703 825 HG2 ARG 104 HG2 ARG 104 0.729 9.848 3.463 826 HG3 ARG 104 HG3 ARG 104 1.697 9.495 2.014 827 HD2 ARG 104 HD2 ARG 104 -0.102 10.448 0.603 828 HD3 ARG 104 HD3 ARG 104 -1.100 10.724 2.053 829 HE ARG 104 HE ARG 104 1.172 12.064 2.659 830 HH11 ARG 104 HH11 ARG 104 -0.662 12.243 -0.381 831 HH12 ARG 104 HH12 ARG 104 -0.730 13.993 -0.378 832 HH21 ARG 104 HH21 ARG 104 1.149 14.392 2.581 833 HH22 ARG 104 HH22 ARG 104 0.371 15.148 1.242 834 H ALA 105 HN ALA 105 2.960 7.523 3.952 835 HA ALA 105 HA ALA 105 4.482 6.730 1.593 836 HB1 ALA 105 HB1 ALA 105 6.439 7.055 3.056 837 HB2 ALA 105 HB2 ALA 105 5.364 8.459 3.008 838 HB3 ALA 105 HB3 ALA 105 5.356 7.382 4.424 839 H THR 106 HN THR 106 3.681 5.140 4.773 840 HA THR 106 HA THR 106 5.392 2.944 4.456 841 HB THR 106 HB THR 106 2.609 2.939 5.694 842 HG1 THR 106 HG1 THR 106 5.088 3.680 6.921 843 HG21 THR 106 HG21 THR 106 5.074 1.240 6.246 844 HG22 THR 106 HG22 THR 106 3.493 0.689 5.649 845 HG23 THR 106 HG23 THR 106 3.643 1.309 7.297 846 H MET 107 HN MET 107 2.027 3.352 3.226 847 HA MET 107 HA MET 107 1.907 0.727 2.056 848 HB2 MET 107 HB2 MET 107 0.030 1.627 0.733 849 HB3 MET 107 HB3 MET 107 -0.153 1.862 2.491 850 HG2 MET 107 HG2 MET 107 0.481 4.180 2.276 851 HG3 MET 107 HG3 MET 107 0.888 3.988 0.577 852 HE1 MET 107 HE1 MET 107 -2.017 3.760 3.133 853 HE2 MET 107 HE2 MET 107 -3.424 3.841 2.046 854 HE3 MET 107 HE3 MET 107 -2.402 2.399 2.045 855 H THR 108 HN THR 108 3.246 3.871 0.764 856 HA THR 108 HA THR 108 3.240 2.894 -1.915 857 HB THR 108 HB THR 108 5.440 4.688 -1.482 858 HG1 THR 108 HG1 THR 108 3.023 5.648 -0.370 859 HG21 THR 108 HG21 THR 108 2.703 5.131 -2.744 860 HG22 THR 108 HG22 THR 108 4.151 4.508 -3.566 861 HG23 THR 108 HG23 THR 108 4.130 6.167 -2.961 862 H ASN 109 HN ASN 109 5.678 2.733 0.749 863 HA ASN 109 HA ASN 109 7.630 1.380 -0.827 864 HB2 ASN 109 HB2 ASN 109 7.920 2.352 1.514 865 HB3 ASN 109 HB3 ASN 109 7.233 0.841 2.128 866 HD21 ASN 109 HD21 ASN 109 8.484 -1.256 1.020 867 HD22 ASN 109 HD22 ASN 109 10.197 -1.092 1.049 868 H TRP 110 HN TRP 110 4.696 0.122 0.740 869 HA TRP 110 HA TRP 110 5.375 -2.673 0.286 870 HB2 TRP 110 HB2 TRP 110 3.705 -2.073 1.959 871 HB3 TRP 110 HB3 TRP 110 2.691 -1.316 0.739 872 HD1 TRP 110 HD1 TRP 110 3.554 -4.722 2.171 873 HE1 TRP 110 HE1 TRP 110 2.115 -6.531 1.061 874 HE3 TRP 110 HE3 TRP 110 1.235 -1.877 -1.391 875 HZ2 TRP 110 HZ2 TRP 110 0.320 -6.762 -1.162 876 HZ3 TRP 110 HZ3 TRP 110 -0.364 -2.924 -2.983 877 HH2 TRP 110 HH2 TRP 110 -0.798 -5.361 -2.898 878 H LEU 111 HN LEU 111 3.667 -0.126 -1.661 879 HA LEU 111 HA LEU 111 2.798 -1.954 -3.678 880 HB2 LEU 111 HB2 LEU 111 3.298 1.036 -3.715 881 HB3 LEU 111 HB3 LEU 111 2.772 0.152 -5.146 882 HG LEU 111 HG LEU 111 1.189 -0.030 -2.573 883 HD11 LEU 111 HD11 LEU 111 -0.278 1.751 -3.363 884 HD12 LEU 111 HD12 LEU 111 0.766 2.032 -4.766 885 HD13 LEU 111 HD13 LEU 111 1.361 2.371 -3.125 886 HD21 LEU 111 HD21 LEU 111 -0.644 -0.641 -4.058 887 HD22 LEU 111 HD22 LEU 111 0.750 -1.660 -4.484 888 HD23 LEU 111 HD23 LEU 111 0.324 -0.270 -5.493 889 H LEU 112 HN LEU 112 5.954 -0.136 -3.368 890 HA LEU 112 HA LEU 112 6.990 -1.170 -5.815 891 HB2 LEU 112 HB2 LEU 112 8.404 -0.460 -3.217 892 HB3 LEU 112 HB3 LEU 112 9.198 -0.920 -4.719 893 HG LEU 112 HG LEU 112 9.423 1.345 -4.586 894 HD11 LEU 112 HD11 LEU 112 8.311 2.180 -6.606 895 HD12 LEU 112 HD12 LEU 112 7.175 0.819 -6.550 896 HD13 LEU 112 HD13 LEU 112 8.891 0.518 -6.799 897 HD21 LEU 112 HD21 LEU 112 7.776 3.016 -4.281 898 HD22 LEU 112 HD22 LEU 112 7.754 1.883 -2.935 899 HD23 LEU 112 HD23 LEU 112 6.491 1.790 -4.188 900 H ALA 113 HN ALA 113 7.094 -2.508 -2.470 901 HA ALA 113 HA ALA 113 8.633 -4.814 -3.158 902 HB1 ALA 113 HB1 ALA 113 7.826 -5.735 -1.035 903 HB2 ALA 113 HB2 ALA 113 8.349 -4.046 -0.842 904 HB3 ALA 113 HB3 ALA 113 6.617 -4.442 -0.909 905 H TYR 114 HN TYR 114 5.131 -4.197 -3.362 906 HA TYR 114 HA TYR 114 4.284 -6.801 -4.078 907 HB2 TYR 114 HB2 TYR 114 2.739 -5.101 -3.371 908 HB3 TYR 114 HB3 TYR 114 3.185 -4.040 -4.686 909 HD1 TYR 114 HD1 TYR 114 1.452 -7.273 -3.923 910 HD2 TYR 114 HD2 TYR 114 2.098 -4.136 -6.810 911 HE1 TYR 114 HE1 TYR 114 -0.501 -8.050 -5.192 912 HE2 TYR 114 HE2 TYR 114 0.143 -4.933 -8.108 913 HH TYR 114 HH TYR 114 -2.076 -7.322 -6.798 914 H ARG 115 HN ARG 115 5.026 -3.981 -6.367 915 HA ARG 115 HA ARG 115 4.791 -5.769 -8.592 916 HB2 ARG 115 HB2 ARG 115 5.671 -4.027 -9.968 917 HB3 ARG 115 HB3 ARG 115 4.511 -3.353 -8.817 918 HG2 ARG 115 HG2 ARG 115 6.245 -2.370 -7.481 919 HG3 ARG 115 HG3 ARG 115 7.496 -3.294 -8.302 920 HD2 ARG 115 HD2 ARG 115 6.736 -2.055 -10.455 921 HD3 ARG 115 HD3 ARG 115 5.912 -0.960 -9.363 922 HE ARG 115 HE ARG 115 7.885 -0.062 -8.678 923 HH11 ARG 115 HH11 ARG 115 8.845 -2.825 -10.691 924 HH12 ARG 115 HH12 ARG 115 10.434 -2.918 -10.093 925 HH21 ARG 115 HH21 ARG 115 10.133 0.255 -8.524 926 HH22 ARG 115 HH22 ARG 115 11.217 -1.078 -8.660 927 H ARG 116 HN ARG 116 7.553 -5.126 -6.493 928 HA ARG 116 HA ARG 116 9.498 -6.451 -8.152 929 HB2 ARG 116 HB2 ARG 116 9.249 -5.931 -5.157 930 HB3 ARG 116 HB3 ARG 116 10.577 -6.854 -5.846 931 HG2 ARG 116 HG2 ARG 116 9.925 -3.988 -6.678 932 HG3 ARG 116 HG3 ARG 116 11.091 -4.454 -5.439 933 HD2 ARG 116 HD2 ARG 116 12.190 -5.951 -7.215 934 HD3 ARG 116 HD3 ARG 116 11.180 -5.105 -8.408 935 HE ARG 116 HE ARG 116 12.326 -2.947 -7.434 936 HH11 ARG 116 HH11 ARG 116 13.943 -6.023 -8.353 937 HH12 ARG 116 HH12 ARG 116 15.510 -5.275 -8.262 938 HH21 ARG 116 HH21 ARG 116 14.324 -2.065 -7.572 939 HH22 ARG 116 HH22 ARG 116 15.740 -3.074 -7.877 940 H SER 117 HN SER 117 7.538 -7.586 -5.381 941 HA SER 117 HA SER 117 8.532 -10.216 -5.554 942 HB2 SER 117 HB2 SER 117 5.947 -9.206 -4.314 943 HB3 SER 117 HB3 SER 117 6.748 -10.758 -3.955 944 HG SER 117 HG SER 117 7.520 -8.135 -3.337 945 H GLN 118 HN GLN 118 5.930 -8.746 -7.411 946 HA GLN 118 HA GLN 118 4.439 -11.102 -7.937 947 HB2 GLN 118 HB2 GLN 118 4.760 -8.393 -9.287 948 HB3 GLN 118 HB3 GLN 118 3.735 -9.649 -9.997 949 HG2 GLN 118 HG2 GLN 118 2.337 -9.774 -8.019 950 HG3 GLN 118 HG3 GLN 118 3.327 -8.590 -7.184 951 HE21 GLN 118 HE21 GLN 118 0.661 -8.994 -9.267 952 HE22 GLN 118 HE22 GLN 118 0.508 -7.304 -9.791 953 H GLN 119 HN GLN 119 7.554 -10.255 -9.175 954 HA GLN 119 HA GLN 119 7.126 -11.810 -11.680 955 HB2 GLN 119 HB2 GLN 119 9.009 -10.711 -12.535 956 HB3 GLN 119 HB3 GLN 119 8.059 -9.495 -11.702 957 HG2 GLN 119 HG2 GLN 119 9.777 -10.225 -9.677 958 HG3 GLN 119 HG3 GLN 119 10.775 -10.599 -11.068 959 HE21 GLN 119 HE21 GLN 119 8.713 -7.871 -9.821 960 HE22 GLN 119 HE22 GLN 119 9.863 -6.645 -10.362 961 H ASP 120 HN ASP 120 7.180 -13.128 -9.194 962 HA ASP 120 HA ASP 120 9.450 -13.577 -7.897 963 HB2 ASP 120 HB2 ASP 120 8.255 -14.845 -6.535 964 HB3 ASP 120 HB3 ASP 120 6.894 -14.399 -7.548 Start of MODEL 8 1 H1 MET 1 HN MET 1 -4.325 -11.565 -7.071 2 HA MET 1 HA MET 1 -5.804 -10.512 -9.428 3 HB2 MET 1 HB2 MET 1 -6.575 -9.581 -7.187 4 HB3 MET 1 HB3 MET 1 -4.941 -8.996 -6.920 5 HG2 MET 1 HG2 MET 1 -5.791 -7.095 -7.702 6 HG3 MET 1 HG3 MET 1 -5.410 -7.772 -9.281 7 HE1 MET 1 HE1 MET 1 -7.793 -5.525 -7.866 8 HE2 MET 1 HE2 MET 1 -7.287 -5.470 -9.564 9 HE3 MET 1 HE3 MET 1 -9.002 -5.674 -9.151 10 H GLY 2 HN GLY 2 -4.272 -9.823 -11.046 11 HA2 GLY 2 HA2 GLY 2 -1.407 -9.502 -10.175 12 HA3 GLY 2 HA1 GLY 2 -1.884 -10.390 -11.589 13 H ILE 3 HN ILE 3 -2.339 -7.185 -10.104 14 HA ILE 3 HA ILE 3 -2.474 -5.758 -12.621 15 HB ILE 3 HB ILE 3 -2.049 -4.464 -9.903 16 HG12 ILE 3 HG12 ILE 3 -4.722 -5.408 -10.924 17 HG13 ILE 3 HG13 ILE 3 -3.860 -6.139 -9.556 18 HG21 ILE 3 HG21 ILE 3 -2.168 -3.016 -12.006 19 HG22 ILE 3 HG22 ILE 3 -3.773 -3.684 -12.325 20 HG23 ILE 3 HG23 ILE 3 -3.479 -2.680 -10.911 21 HD11 ILE 3 HD11 ILE 3 -3.912 -3.878 -8.396 22 HD12 ILE 3 HD12 ILE 3 -5.082 -3.365 -9.622 23 HD13 ILE 3 HD13 ILE 3 -5.458 -4.720 -8.575 24 H THR 4 HN THR 4 -0.951 -4.005 -12.967 25 HA THR 4 HA THR 4 1.919 -4.543 -12.375 26 HB THR 4 HB THR 4 0.620 -2.340 -14.056 27 HG1 THR 4 HG1 THR 4 1.141 -3.791 -15.829 28 HG21 THR 4 HG21 THR 4 2.977 -1.895 -13.637 29 HG22 THR 4 HG22 THR 4 2.790 -2.426 -15.303 30 HG23 THR 4 HG23 THR 4 3.419 -3.555 -14.093 31 H ILE 5 HN ILE 5 3.149 -2.817 -11.173 32 HA ILE 5 HA ILE 5 1.609 -0.480 -10.236 33 HB ILE 5 HB ILE 5 3.800 -2.084 -8.857 34 HG12 ILE 5 HG12 ILE 5 1.445 -3.054 -8.739 35 HG13 ILE 5 HG13 ILE 5 2.352 -2.833 -7.263 36 HG21 ILE 5 HG21 ILE 5 2.565 0.520 -8.014 37 HG22 ILE 5 HG22 ILE 5 3.515 -0.536 -6.942 38 HG23 ILE 5 HG23 ILE 5 4.270 0.163 -8.374 39 HD11 ILE 5 HD11 ILE 5 0.380 -0.779 -8.275 40 HD12 ILE 5 HD12 ILE 5 -0.113 -2.128 -7.226 41 HD13 ILE 5 HD13 ILE 5 1.041 -0.907 -6.636 42 H THR 6 HN THR 6 2.342 1.352 -11.159 43 HA THR 6 HA THR 6 5.014 1.432 -12.337 44 HB THR 6 HB THR 6 3.978 3.720 -12.962 45 HG1 THR 6 HG1 THR 6 1.681 3.641 -13.106 46 HG21 THR 6 HG21 THR 6 2.806 1.098 -14.014 47 HG22 THR 6 HG22 THR 6 4.375 1.811 -14.484 48 HG23 THR 6 HG23 THR 6 2.867 2.643 -14.923 49 H ASP 7 HN ASP 7 6.620 2.381 -11.295 50 HA ASP 7 HA ASP 7 6.576 3.290 -8.616 51 HB2 ASP 7 HB2 ASP 7 8.775 4.480 -9.424 52 HB3 ASP 7 HB3 ASP 7 8.632 2.741 -9.200 53 H GLU 8 HN GLU 8 5.894 5.007 -11.606 54 HA GLU 8 HA GLU 8 6.232 7.640 -10.620 55 HB2 GLU 8 HB2 GLU 8 5.346 8.322 -12.621 56 HB3 GLU 8 HB3 GLU 8 6.279 6.832 -12.933 57 HG2 GLU 8 HG2 GLU 8 4.574 6.283 -14.192 58 HG3 GLU 8 HG3 GLU 8 3.900 5.721 -12.666 59 H LEU 9 HN LEU 9 3.445 5.459 -10.599 60 HA LEU 9 HA LEU 9 1.398 7.323 -9.864 61 HB2 LEU 9 HB2 LEU 9 0.959 5.218 -11.056 62 HB3 LEU 9 HB3 LEU 9 1.843 4.319 -9.836 63 HG LEU 9 HG LEU 9 0.327 4.821 -8.165 64 HD11 LEU 9 HD11 LEU 9 -1.362 6.225 -10.280 65 HD12 LEU 9 HD12 LEU 9 -0.709 6.940 -8.791 66 HD13 LEU 9 HD13 LEU 9 -1.996 5.731 -8.693 67 HD21 LEU 9 HD21 LEU 9 -0.965 3.673 -10.679 68 HD22 LEU 9 HD22 LEU 9 -1.489 3.308 -9.016 69 HD23 LEU 9 HD23 LEU 9 0.114 2.794 -9.579 70 H LEU 10 HN LEU 10 3.545 5.013 -7.793 71 HA LEU 10 HA LEU 10 2.567 5.962 -5.458 72 HB2 LEU 10 HB2 LEU 10 5.339 5.081 -6.364 73 HB3 LEU 10 HB3 LEU 10 4.874 5.269 -4.696 74 HG LEU 10 HG LEU 10 4.646 3.066 -5.146 75 HD11 LEU 10 HD11 LEU 10 2.260 2.396 -5.099 76 HD12 LEU 10 HD12 LEU 10 1.798 3.990 -5.601 77 HD13 LEU 10 HD13 LEU 10 2.564 3.790 -4.006 78 HD21 LEU 10 HD21 LEU 10 4.775 3.329 -7.626 79 HD22 LEU 10 HD22 LEU 10 3.010 3.093 -7.569 80 HD23 LEU 10 HD23 LEU 10 4.123 1.878 -6.877 81 H TRP 11 HN TRP 11 4.774 7.702 -7.661 82 HA TRP 11 HA TRP 11 5.738 9.372 -5.565 83 HB2 TRP 11 HB2 TRP 11 5.857 9.448 -8.550 84 HB3 TRP 11 HB3 TRP 11 6.055 10.973 -7.712 85 HD1 TRP 11 HD1 TRP 11 8.027 7.935 -8.648 86 HE1 TRP 11 HE1 TRP 11 10.335 8.022 -7.600 87 HE3 TRP 11 HE3 TRP 11 7.173 11.628 -5.242 88 HZ2 TRP 11 HZ2 TRP 11 11.666 9.518 -5.434 89 HZ3 TRP 11 HZ3 TRP 11 8.952 12.323 -3.656 90 HH2 TRP 11 HH2 TRP 11 11.186 11.256 -3.720 91 H ALA 12 HN ALA 12 2.666 9.411 -7.366 92 HA ALA 12 HA ALA 12 1.915 12.091 -6.809 93 HB1 ALA 12 HB1 ALA 12 -0.409 11.208 -7.089 94 HB2 ALA 12 HB2 ALA 12 0.693 10.702 -8.382 95 HB3 ALA 12 HB3 ALA 12 0.245 9.547 -7.112 96 H ILE 13 HN ILE 13 1.842 9.172 -4.725 97 HA ILE 13 HA ILE 13 0.296 10.362 -2.601 98 HB ILE 13 HB ILE 13 2.396 8.140 -2.609 99 HG12 ILE 13 HG12 ILE 13 -0.045 7.026 -1.930 100 HG13 ILE 13 HG13 ILE 13 -0.557 8.305 -2.997 101 HG21 ILE 13 HG21 ILE 13 1.759 7.560 -0.411 102 HG22 ILE 13 HG22 ILE 13 2.240 9.234 -0.349 103 HG23 ILE 13 HG23 ILE 13 0.515 8.856 -0.363 104 HD11 ILE 13 HD11 ILE 13 -0.242 6.183 -4.200 105 HD12 ILE 13 HD12 ILE 13 0.905 7.393 -4.785 106 HD13 ILE 13 HD13 ILE 13 1.442 6.118 -3.650 107 H LEU 14 HN LEU 14 3.888 10.058 -3.171 108 HA LEU 14 HA LEU 14 4.670 11.493 -0.901 109 HB2 LEU 14 HB2 LEU 14 5.895 10.596 -3.526 110 HB3 LEU 14 HB3 LEU 14 6.808 11.578 -2.389 111 HG LEU 14 HG LEU 14 6.800 10.040 -0.732 112 HD11 LEU 14 HD11 LEU 14 4.595 9.208 -0.586 113 HD12 LEU 14 HD12 LEU 14 5.745 7.881 -0.611 114 HD13 LEU 14 HD13 LEU 14 4.813 8.268 -2.098 115 HD21 LEU 14 HD21 LEU 14 8.309 9.483 -2.680 116 HD22 LEU 14 HD22 LEU 14 7.085 8.347 -3.256 117 HD23 LEU 14 HD23 LEU 14 7.903 8.064 -1.702 118 H LYS 15 HN LYS 15 3.834 12.647 -4.173 119 HA LYS 15 HA LYS 15 4.450 15.439 -3.534 120 HB2 LYS 15 HB2 LYS 15 2.874 14.241 -5.846 121 HB3 LYS 15 HB3 LYS 15 3.449 15.901 -5.714 122 HG2 LYS 15 HG2 LYS 15 5.213 13.452 -5.995 123 HG3 LYS 15 HG3 LYS 15 4.845 14.653 -7.203 124 HD2 LYS 15 HD2 LYS 15 6.048 16.372 -5.886 125 HD3 LYS 15 HD3 LYS 15 6.333 15.174 -4.603 126 HE2 LYS 15 HE2 LYS 15 8.322 15.323 -5.948 127 HE3 LYS 15 HE3 LYS 15 7.576 13.745 -6.152 128 HZ1 LYS 15 HZ1 LYS 15 6.516 14.802 -8.226 129 HZ2 LYS 15 HZ2 LYS 15 8.093 14.386 -8.288 130 HZ3 LYS 15 HZ3 LYS 15 7.701 15.950 -8.081 131 H ASP 16 HN ASP 16 2.112 13.514 -2.236 132 HA ASP 16 HA ASP 16 0.306 13.924 -1.031 133 HB2 ASP 16 HB2 ASP 16 1.877 15.710 -0.212 134 HB3 ASP 16 HB3 ASP 16 1.027 16.858 -1.236 135 H GLU 17 HN GLU 17 0.008 13.760 -4.009 136 HA GLU 17 HA GLU 17 -2.174 15.518 -4.685 137 HB2 GLU 17 HB2 GLU 17 -0.607 15.055 -6.394 138 HB3 GLU 17 HB3 GLU 17 -0.458 13.400 -5.961 139 HG2 GLU 17 HG2 GLU 17 -1.605 13.543 -8.004 140 HG3 GLU 17 HG3 GLU 17 -2.609 12.833 -6.738 141 H LEU 18 HN LEU 18 -1.592 11.983 -4.150 142 HA LEU 18 HA LEU 18 -4.238 11.114 -4.505 143 HB2 LEU 18 HB2 LEU 18 -1.945 10.067 -2.927 144 HB3 LEU 18 HB3 LEU 18 -3.461 9.533 -2.344 145 HG LEU 18 HG LEU 18 -2.542 7.916 -3.712 146 HD11 LEU 18 HD11 LEU 18 -4.957 8.243 -3.433 147 HD12 LEU 18 HD12 LEU 18 -4.445 7.064 -4.618 148 HD13 LEU 18 HD13 LEU 18 -5.008 8.688 -5.149 149 HD21 LEU 18 HD21 LEU 18 -2.292 8.121 -6.161 150 HD22 LEU 18 HD22 LEU 18 -1.318 9.346 -5.338 151 HD23 LEU 18 HD23 LEU 18 -2.865 9.795 -6.089 152 H SER 19 HN SER 19 -5.749 10.454 -3.053 153 HA SER 19 HA SER 19 -6.082 12.296 -0.737 154 HB2 SER 19 HB2 SER 19 -8.093 10.375 -1.943 155 HB3 SER 19 HB3 SER 19 -8.384 11.506 -0.632 156 HG SER 19 HG SER 19 -7.778 12.107 -3.345 157 H ASP 20 HN ASP 20 -6.877 11.261 1.332 158 HA ASP 20 HA ASP 20 -5.437 8.930 2.230 159 HB2 ASP 20 HB2 ASP 20 -7.369 9.001 4.027 160 HB3 ASP 20 HB3 ASP 20 -6.045 10.167 4.019 161 H ALA 21 HN ALA 21 -8.909 9.378 1.582 162 HA ALA 21 HA ALA 21 -9.721 6.786 1.600 163 HB1 ALA 21 HB1 ALA 21 -11.592 7.530 0.115 164 HB2 ALA 21 HB2 ALA 21 -11.253 8.680 1.432 165 HB3 ALA 21 HB3 ALA 21 -10.699 9.018 -0.238 166 H GLU 22 HN GLU 22 -8.315 8.438 -1.194 167 HA GLU 22 HA GLU 22 -8.757 6.276 -3.085 168 HB2 GLU 22 HB2 GLU 22 -7.045 8.745 -3.206 169 HB3 GLU 22 HB3 GLU 22 -7.248 7.622 -4.499 170 HG2 GLU 22 HG2 GLU 22 -9.773 8.065 -4.323 171 HG3 GLU 22 HG3 GLU 22 -9.305 9.467 -3.336 172 H ALA 23 HN ALA 23 -5.879 7.469 -1.187 173 HA ALA 23 HA ALA 23 -4.155 5.634 -2.570 174 HB1 ALA 23 HB1 ALA 23 -2.479 6.465 -1.181 175 HB2 ALA 23 HB2 ALA 23 -3.571 7.803 -1.288 176 HB3 ALA 23 HB3 ALA 23 -3.628 6.795 0.166 177 H ASN 24 HN ASN 24 -6.245 5.426 0.116 178 HA ASN 24 HA ASN 24 -5.341 2.858 1.237 179 HB2 ASN 24 HB2 ASN 24 -7.780 4.556 1.510 180 HB3 ASN 24 HB3 ASN 24 -8.097 2.834 1.530 181 HD21 ASN 24 HD21 ASN 24 -8.756 4.271 3.822 182 HD22 ASN 24 HD22 ASN 24 -7.578 3.941 5.072 183 H ALA 25 HN ALA 25 -7.775 3.816 -1.245 184 HA ALA 25 HA ALA 25 -8.395 1.234 -2.108 185 HB1 ALA 25 HB1 ALA 25 -8.219 3.596 -3.993 186 HB2 ALA 25 HB2 ALA 25 -9.157 2.134 -4.168 187 HB3 ALA 25 HB3 ALA 25 -9.581 3.306 -2.875 188 H LEU 26 HN LEU 26 -5.623 3.357 -3.474 189 HA LEU 26 HA LEU 26 -4.854 1.488 -5.365 190 HB2 LEU 26 HB2 LEU 26 -3.115 3.267 -3.610 191 HB3 LEU 26 HB3 LEU 26 -2.571 2.432 -5.055 192 HG LEU 26 HG LEU 26 -4.666 4.626 -4.999 193 HD11 LEU 26 HD11 LEU 26 -1.766 4.576 -5.956 194 HD12 LEU 26 HD12 LEU 26 -2.410 5.441 -4.530 195 HD13 LEU 26 HD13 LEU 26 -2.899 5.923 -6.159 196 HD21 LEU 26 HD21 LEU 26 -3.428 3.150 -7.366 197 HD22 LEU 26 HD22 LEU 26 -4.407 4.628 -7.474 198 HD23 LEU 26 HD23 LEU 26 -5.144 3.141 -6.881 199 H VAL 27 HN VAL 27 -4.384 1.146 -1.852 200 HA VAL 27 HA VAL 27 -2.469 -1.061 -2.181 201 HB VAL 27 HB VAL 27 -4.039 -0.069 0.237 202 HG11 VAL 27 HG11 VAL 27 -3.426 -2.390 0.627 203 HG12 VAL 27 HG12 VAL 27 -1.800 -2.131 -0.028 204 HG13 VAL 27 HG13 VAL 27 -2.261 -1.396 1.504 205 HG21 VAL 27 HG21 VAL 27 -1.102 0.311 -0.485 206 HG22 VAL 27 HG22 VAL 27 -2.359 1.572 -0.594 207 HG23 VAL 27 HG23 VAL 27 -1.943 0.894 0.975 208 H TRP 28 HN TRP 28 -5.943 -0.640 -1.359 209 HA TRP 28 HA TRP 28 -6.516 -3.365 -0.933 210 HB2 TRP 28 HB2 TRP 28 -8.368 -1.168 -1.926 211 HB3 TRP 28 HB3 TRP 28 -8.846 -2.654 -1.122 212 HD1 TRP 28 HD1 TRP 28 -6.217 -1.999 1.072 213 HE1 TRP 28 HE1 TRP 28 -6.859 -0.517 3.080 214 HE3 TRP 28 HE3 TRP 28 -10.549 0.066 -0.747 215 HZ2 TRP 28 HZ2 TRP 28 -9.078 1.017 3.908 216 HZ3 TRP 28 HZ3 TRP 28 -11.934 1.511 0.718 217 HH2 TRP 28 HH2 TRP 28 -11.226 1.969 3.052 218 H GLN 29 HN GLN 29 -6.651 -1.420 -3.951 219 HA GLN 29 HA GLN 29 -7.764 -3.456 -5.587 220 HB2 GLN 29 HB2 GLN 29 -6.818 -2.222 -7.478 221 HB3 GLN 29 HB3 GLN 29 -7.679 -1.181 -6.347 222 HG2 GLN 29 HG2 GLN 29 -5.518 -0.442 -5.518 223 HG3 GLN 29 HG3 GLN 29 -4.676 -1.473 -6.631 224 HE21 GLN 29 HE21 GLN 29 -7.580 0.303 -7.749 225 HE22 GLN 29 HE22 GLN 29 -6.662 1.465 -8.677 226 H ALA 30 HN ALA 30 -4.326 -2.755 -4.824 227 HA ALA 30 HA ALA 30 -3.260 -4.775 -6.518 228 HB1 ALA 30 HB1 ALA 30 -2.092 -3.507 -4.007 229 HB2 ALA 30 HB2 ALA 30 -1.189 -4.398 -5.258 230 HB3 ALA 30 HB3 ALA 30 -1.967 -2.849 -5.656 231 H LEU 31 HN LEU 31 -4.279 -4.952 -3.085 232 HA LEU 31 HA LEU 31 -3.526 -7.709 -2.639 233 HB2 LEU 31 HB2 LEU 31 -5.475 -5.723 -1.473 234 HB3 LEU 31 HB3 LEU 31 -5.818 -7.435 -1.266 235 HG LEU 31 HG LEU 31 -4.027 -7.884 0.059 236 HD11 LEU 31 HD11 LEU 31 -2.239 -6.876 -1.187 237 HD12 LEU 31 HD12 LEU 31 -2.137 -6.486 0.499 238 HD13 LEU 31 HD13 LEU 31 -2.756 -5.247 -0.643 239 HD21 LEU 31 HD21 LEU 31 -5.723 -6.415 1.223 240 HD22 LEU 31 HD22 LEU 31 -4.774 -4.992 0.759 241 HD23 LEU 31 HD23 LEU 31 -4.110 -6.193 1.874 242 H GLY 32 HN GLY 32 -6.444 -6.157 -3.941 243 HA2 GLY 32 HA2 GLY 32 -7.350 -7.143 -5.998 244 HA3 GLY 32 HA1 GLY 32 -7.238 -8.736 -5.241 245 H TYR 33 HN TYR 33 -8.336 -5.996 -3.243 246 HA TYR 33 HA TYR 33 -10.464 -7.625 -2.363 247 HB2 TYR 33 HB2 TYR 33 -9.641 -4.790 -1.828 248 HB3 TYR 33 HB3 TYR 33 -11.233 -5.333 -1.325 249 HD1 TYR 33 HD1 TYR 33 -7.870 -6.986 -1.304 250 HD2 TYR 33 HD2 TYR 33 -11.294 -5.775 1.004 251 HE1 TYR 33 HE1 TYR 33 -6.992 -8.238 0.658 252 HE2 TYR 33 HE2 TYR 33 -10.461 -7.049 2.937 253 HH TYR 33 HH TYR 33 -7.527 -9.088 2.884 254 H VAL 34 HN VAL 34 -10.665 -4.660 -4.342 255 HA VAL 34 HA VAL 34 -12.285 -3.581 -5.392 256 HB VAL 34 HB VAL 34 -12.989 -6.414 -6.103 257 HG11 VAL 34 HG11 VAL 34 -14.745 -4.905 -6.906 258 HG12 VAL 34 HG12 VAL 34 -13.513 -3.813 -7.591 259 HG13 VAL 34 HG13 VAL 34 -13.775 -5.433 -8.278 260 HG21 VAL 34 HG21 VAL 34 -11.513 -6.084 -8.070 261 HG22 VAL 34 HG22 VAL 34 -10.940 -4.568 -7.318 262 HG23 VAL 34 HG23 VAL 34 -10.685 -6.145 -6.520 263 H TRP 35 HN TRP 35 -14.157 -2.566 -4.978 264 HA TRP 35 HA TRP 35 -16.002 -3.619 -2.961 265 HB2 TRP 35 HB2 TRP 35 -15.442 -1.297 -2.930 266 HB3 TRP 35 HB3 TRP 35 -15.921 -1.085 -4.625 267 HD1 TRP 35 HD1 TRP 35 -18.385 -0.748 -5.169 268 HE1 TRP 35 HE1 TRP 35 -20.465 -0.146 -3.754 269 HE3 TRP 35 HE3 TRP 35 -16.602 -2.034 -0.568 270 HZ2 TRP 35 HZ2 TRP 35 -21.219 -0.202 -0.969 271 HZ3 TRP 35 HZ3 TRP 35 -18.005 -1.736 1.465 272 HH2 TRP 35 HH2 TRP 35 -20.300 -0.822 1.266 273 H ASP 36 HN ASP 36 -17.454 -5.027 -3.480 274 HA ASP 36 HA ASP 36 -18.667 -5.318 -6.149 275 HB2 ASP 36 HB2 ASP 36 -18.176 -7.084 -3.918 276 HB3 ASP 36 HB3 ASP 36 -19.884 -6.888 -3.992 277 H GLU 37 HN GLU 37 -19.762 -3.396 -6.382 278 HA GLU 37 HA GLU 37 -21.275 -2.105 -4.303 279 HB2 GLU 37 HB2 GLU 37 -20.397 -0.894 -6.199 280 HB3 GLU 37 HB3 GLU 37 -21.292 -1.875 -7.337 281 HG2 GLU 37 HG2 GLU 37 -23.369 -0.896 -6.784 282 HG3 GLU 37 HG3 GLU 37 -22.766 -0.265 -5.245 283 H ALA 38 HN ALA 38 -21.998 -4.691 -6.445 284 HA ALA 38 HA ALA 38 -24.898 -4.630 -6.264 285 HB1 ALA 38 HB1 ALA 38 -23.709 -5.892 -8.015 286 HB2 ALA 38 HB2 ALA 38 -22.946 -6.920 -6.777 287 HB3 ALA 38 HB3 ALA 38 -24.699 -6.990 -7.038 288 H GLN 39 HN GLN 39 -22.331 -5.640 -4.079 289 HA GLN 39 HA GLN 39 -24.283 -7.069 -2.356 290 HB2 GLN 39 HB2 GLN 39 -21.395 -7.800 -2.777 291 HB3 GLN 39 HB3 GLN 39 -22.591 -8.638 -1.792 292 HG2 GLN 39 HG2 GLN 39 -24.036 -8.724 -3.942 293 HG3 GLN 39 HG3 GLN 39 -22.523 -8.359 -4.774 294 HE21 GLN 39 HE21 GLN 39 -21.026 -9.999 -5.065 295 HE22 GLN 39 HE22 GLN 39 -21.429 -11.682 -4.798 296 H SER 40 HN SER 40 -22.597 -4.262 -2.590 297 HA SER 40 HA SER 40 -21.607 -2.794 -1.359 298 HB2 SER 40 HB2 SER 40 -22.847 -2.123 0.716 299 HB3 SER 40 HB3 SER 40 -23.726 -2.117 -0.807 300 HG SER 40 HG SER 40 -24.771 -3.064 1.137 301 H CYS 41 HN CYS 41 -20.084 -4.964 -1.392 302 HA CYS 41 HA CYS 41 -18.694 -4.707 1.155 303 HB2 CYS 41 HB2 CYS 41 -18.580 -7.186 1.546 304 HB3 CYS 41 HB3 CYS 41 -20.233 -6.555 1.679 305 HG CYS 41 HG CYS 41 -20.573 -8.767 0.549 306 H TRP 42 HN TRP 42 -16.685 -6.138 1.172 307 HA TRP 42 HA TRP 42 -15.193 -5.386 -1.245 308 HB2 TRP 42 HB2 TRP 42 -14.489 -6.274 1.597 309 HB3 TRP 42 HB3 TRP 42 -13.311 -5.912 0.352 310 HD1 TRP 42 HD1 TRP 42 -15.433 -4.189 3.006 311 HE1 TRP 42 HE1 TRP 42 -15.360 -1.666 2.739 312 HE3 TRP 42 HE3 TRP 42 -13.217 -3.900 -1.611 313 HZ2 TRP 42 HZ2 TRP 42 -14.293 0.275 0.858 314 HZ3 TRP 42 HZ3 TRP 42 -12.654 -1.682 -2.605 315 HH2 TRP 42 HH2 TRP 42 -13.210 0.405 -1.371 316 H LYS 43 HN LYS 43 -14.490 -7.023 -2.733 317 HA LYS 43 HA LYS 43 -15.449 -9.726 -2.111 318 HB2 LYS 43 HB2 LYS 43 -14.120 -8.424 -4.487 319 HB3 LYS 43 HB3 LYS 43 -14.161 -10.198 -4.329 320 HG2 LYS 43 HG2 LYS 43 -16.614 -10.035 -4.113 321 HG3 LYS 43 HG3 LYS 43 -16.511 -8.292 -4.364 322 HD2 LYS 43 HD2 LYS 43 -15.368 -10.298 -6.354 323 HD3 LYS 43 HD3 LYS 43 -17.047 -9.719 -6.420 324 HE2 LYS 43 HE2 LYS 43 -16.279 -7.393 -6.510 325 HE3 LYS 43 HE3 LYS 43 -14.583 -7.920 -6.477 326 HZ1 LYS 43 HZ1 LYS 43 -14.802 -8.830 -8.598 327 HZ2 LYS 43 HZ2 LYS 43 -15.667 -7.455 -8.709 328 HZ3 LYS 43 HZ3 LYS 43 -16.456 -8.878 -8.525 329 H THR 44 HN THR 44 -14.115 -11.563 -1.993 330 HA THR 44 HA THR 44 -11.230 -11.059 -1.447 331 HB THR 44 HB THR 44 -11.538 -12.848 0.378 332 HG1 THR 44 HG1 THR 44 -13.766 -13.307 -0.092 333 HG21 THR 44 HG21 THR 44 -12.019 -11.111 2.054 334 HG22 THR 44 HG22 THR 44 -12.682 -10.035 0.811 335 HG23 THR 44 HG23 THR 44 -10.961 -10.447 0.798 336 H ASP 45 HN ASP 45 -13.064 -12.261 -3.711 337 HA ASP 45 HA ASP 45 -12.251 -14.995 -4.055 338 HB2 ASP 45 HB2 ASP 45 -13.511 -12.822 -5.764 339 HB3 ASP 45 HB3 ASP 45 -12.783 -14.211 -6.545 340 H LEU 46 HN LEU 46 -11.137 -11.812 -5.377 341 HA LEU 46 HA LEU 46 -9.042 -13.265 -6.762 342 HB2 LEU 46 HB2 LEU 46 -9.757 -10.309 -6.793 343 HB3 LEU 46 HB3 LEU 46 -8.404 -11.008 -7.656 344 HG LEU 46 HG LEU 46 -10.304 -12.693 -8.576 345 HD11 LEU 46 HD11 LEU 46 -12.327 -11.412 -9.139 346 HD12 LEU 46 HD12 LEU 46 -11.754 -10.029 -8.188 347 HD13 LEU 46 HD13 LEU 46 -12.171 -11.557 -7.393 348 HD21 LEU 46 HD21 LEU 46 -9.661 -9.919 -9.645 349 HD22 LEU 46 HD22 LEU 46 -10.350 -11.283 -10.593 350 HD23 LEU 46 HD23 LEU 46 -8.722 -11.402 -9.925 351 H VAL 47 HN VAL 47 -9.178 -12.439 -3.659 352 HA VAL 47 HA VAL 47 -6.599 -11.069 -3.377 353 HB VAL 47 HB VAL 47 -8.684 -12.009 -1.361 354 HG11 VAL 47 HG11 VAL 47 -6.230 -10.195 -0.972 355 HG12 VAL 47 HG12 VAL 47 -7.508 -10.511 0.239 356 HG13 VAL 47 HG13 VAL 47 -6.460 -11.810 -0.289 357 HG21 VAL 47 HG21 VAL 47 -8.075 -9.201 -2.412 358 HG22 VAL 47 HG22 VAL 47 -9.521 -10.142 -2.806 359 HG23 VAL 47 HG23 VAL 47 -9.260 -9.609 -1.158 360 H ALA 48 HN ALA 48 -4.839 -12.084 -2.294 361 HA ALA 48 HA ALA 48 -4.466 -14.903 -2.878 362 HB1 ALA 48 HB1 ALA 48 -2.682 -13.072 -2.949 363 HB2 ALA 48 HB2 ALA 48 -2.716 -13.101 -1.157 364 HB3 ALA 48 HB3 ALA 48 -2.261 -14.547 -2.085 365 HA PRO 49 HA PRO 49 -6.211 -16.621 0.767 366 HB2 PRO 49 HB2 PRO 49 -4.479 -18.596 1.581 367 HB3 PRO 49 HB3 PRO 49 -5.544 -18.715 0.152 368 HG2 PRO 49 HG2 PRO 49 -2.622 -17.969 0.229 369 HG3 PRO 49 HG3 PRO 49 -3.446 -19.097 -0.893 370 HD2 PRO 49 HD2 PRO 49 -2.877 -16.551 -1.607 371 HD3 PRO 49 HD3 PRO 49 -4.393 -17.302 -2.114 372 H GLU 50 HN GLU 50 -2.686 -15.689 1.207 373 HA GLU 50 HA GLU 50 -2.898 -15.567 4.017 374 HB2 GLU 50 HB2 GLU 50 -0.854 -14.211 3.822 375 HB3 GLU 50 HB3 GLU 50 -0.763 -15.713 2.915 376 HG2 GLU 50 HG2 GLU 50 -1.662 -13.262 1.380 377 HG3 GLU 50 HG3 GLU 50 0.000 -13.342 1.941 378 H TRP 51 HN TRP 51 -4.110 -13.336 1.547 379 HA TRP 51 HA TRP 51 -4.177 -11.136 3.556 380 HB2 TRP 51 HB2 TRP 51 -4.296 -11.244 0.552 381 HB3 TRP 51 HB3 TRP 51 -5.080 -9.903 1.385 382 HD1 TRP 51 HD1 TRP 51 -1.904 -10.805 0.015 383 HE1 TRP 51 HE1 TRP 51 -0.043 -9.217 0.767 384 HE3 TRP 51 HE3 TRP 51 -4.394 -8.434 3.800 385 HZ2 TRP 51 HZ2 TRP 51 0.342 -7.217 2.877 386 HZ3 TRP 51 HZ3 TRP 51 -3.311 -6.595 5.046 387 HH2 TRP 51 HH2 TRP 51 -0.965 -5.953 4.574 388 H ARG 52 HN ARG 52 -6.435 -13.344 2.013 389 HA ARG 52 HA ARG 52 -8.693 -11.634 2.999 390 HB2 ARG 52 HB2 ARG 52 -10.162 -13.208 2.011 391 HB3 ARG 52 HB3 ARG 52 -8.949 -12.725 0.827 392 HG2 ARG 52 HG2 ARG 52 -7.708 -14.903 1.406 393 HG3 ARG 52 HG3 ARG 52 -9.146 -15.360 2.359 394 HD2 ARG 52 HD2 ARG 52 -10.550 -15.045 0.318 395 HD3 ARG 52 HD3 ARG 52 -9.075 -14.627 -0.582 396 HE ARG 52 HE ARG 52 -9.013 -17.197 0.805 397 HH11 ARG 52 HH11 ARG 52 -9.963 -15.576 -2.221 398 HH12 ARG 52 HH12 ARG 52 -9.799 -16.981 -3.208 399 HH21 ARG 52 HH21 ARG 52 -8.787 -19.027 -0.429 400 HH22 ARG 52 HH22 ARG 52 -8.920 -19.039 -2.146 401 H GLN 53 HN GLN 53 -6.591 -13.941 4.216 402 HA GLN 53 HA GLN 53 -7.856 -15.977 5.279 403 HB2 GLN 53 HB2 GLN 53 -5.341 -14.720 5.468 404 HB3 GLN 53 HB3 GLN 53 -5.846 -14.856 7.145 405 HG2 GLN 53 HG2 GLN 53 -6.245 -17.257 6.819 406 HG3 GLN 53 HG3 GLN 53 -5.795 -17.108 5.101 407 HE21 GLN 53 HE21 GLN 53 -4.197 -18.865 5.896 408 HE22 GLN 53 HE22 GLN 53 -2.679 -18.305 6.585 409 H ASP 54 HN ASP 54 -7.812 -12.792 6.843 410 HA ASP 54 HA ASP 54 -9.924 -13.646 8.694 411 HB2 ASP 54 HB2 ASP 54 -7.084 -13.419 9.435 412 HB3 ASP 54 HB3 ASP 54 -8.077 -12.374 10.421 413 H TYR 55 HN TYR 55 -9.742 -11.848 6.410 414 HA TYR 55 HA TYR 55 -9.859 -9.133 7.650 415 HB2 TYR 55 HB2 TYR 55 -8.811 -10.026 5.000 416 HB3 TYR 55 HB3 TYR 55 -9.437 -8.394 5.264 417 HD1 TYR 55 HD2 TYR 55 -7.348 -10.388 7.721 418 HD2 TYR 55 HD1 TYR 55 -7.574 -7.008 5.042 419 HE1 TYR 55 HE2 TYR 55 -5.258 -9.634 8.547 420 HE2 TYR 55 HE1 TYR 55 -5.413 -6.215 5.898 421 HH TYR 55 HH TYR 55 -4.337 -7.171 8.749 422 HA PRO 56 HA PRO 56 -14.066 -9.877 5.910 423 HB2 PRO 56 HB2 PRO 56 -15.529 -8.775 7.951 424 HB3 PRO 56 HB3 PRO 56 -14.930 -10.468 7.984 425 HG2 PRO 56 HG2 PRO 56 -13.673 -8.026 9.272 426 HG3 PRO 56 HG3 PRO 56 -13.990 -9.629 10.010 427 HD2 PRO 56 HD2 PRO 56 -11.555 -8.955 8.992 428 HD3 PRO 56 HD3 PRO 56 -12.168 -10.618 8.839 429 H GLU 57 HN GLU 57 -12.181 -7.150 6.887 430 HA GLU 57 HA GLU 57 -13.740 -5.311 5.173 431 HB2 GLU 57 HB2 GLU 57 -12.931 -5.047 8.090 432 HB3 GLU 57 HB3 GLU 57 -13.048 -3.588 7.098 433 HG2 GLU 57 HG2 GLU 57 -15.353 -3.899 6.614 434 HG3 GLU 57 HG3 GLU 57 -15.291 -5.581 7.055 435 HA PRO 58 HA PRO 58 -9.763 -4.506 3.650 436 HB2 PRO 58 HB2 PRO 58 -9.806 -2.034 2.659 437 HB3 PRO 58 HB3 PRO 58 -10.948 -3.261 2.049 438 HG2 PRO 58 HG2 PRO 58 -11.457 -1.132 4.165 439 HG3 PRO 58 HG3 PRO 58 -12.444 -1.504 2.719 440 HD2 PRO 58 HD2 PRO 58 -12.984 -2.562 5.200 441 HD3 PRO 58 HD3 PRO 58 -13.271 -3.504 3.723 442 HA PRO 59 HA PRO 59 -7.516 -2.708 6.958 443 HB2 PRO 59 HB2 PRO 59 -5.008 -2.436 5.960 444 HB3 PRO 59 HB3 PRO 59 -5.783 -4.010 6.343 445 HG2 PRO 59 HG2 PRO 59 -5.570 -2.688 3.621 446 HG3 PRO 59 HG3 PRO 59 -5.237 -4.396 4.046 447 HD2 PRO 59 HD2 PRO 59 -7.610 -3.515 2.981 448 HD3 PRO 59 HD3 PRO 59 -7.547 -4.860 4.165 449 H ASP 60 HN ASP 60 -8.140 -0.664 7.506 450 HA ASP 60 HA ASP 60 -7.420 1.696 5.876 451 HB2 ASP 60 HB2 ASP 60 -9.397 1.907 7.372 452 HB3 ASP 60 HB3 ASP 60 -8.356 1.643 8.795 453 H PHE 61 HN PHE 61 -5.318 2.221 5.736 454 HA PHE 61 HA PHE 61 -3.431 1.615 7.981 455 HB2 PHE 61 HB2 PHE 61 -3.002 2.652 5.179 456 HB3 PHE 61 HB3 PHE 61 -1.703 2.260 6.303 457 HD1 PHE 61 HD1 PHE 61 -4.243 0.918 4.014 458 HD2 PHE 61 HD2 PHE 61 -1.036 -0.052 6.736 459 HE1 PHE 61 HE1 PHE 61 -4.090 -1.314 3.030 460 HE2 PHE 61 HE2 PHE 61 -0.970 -2.369 5.807 461 HZ PHE 61 HZ PHE 61 -2.522 -3.004 3.972 462 H ILE 62 HN ILE 62 -5.477 4.164 7.076 463 HA ILE 62 HA ILE 62 -3.612 6.375 7.462 464 HB ILE 62 HB ILE 62 -6.650 6.358 7.472 465 HG12 ILE 62 HG12 ILE 62 -5.789 5.371 5.333 466 HG13 ILE 62 HG13 ILE 62 -6.793 6.784 5.173 467 HG21 ILE 62 HG21 ILE 62 -4.659 8.570 6.918 468 HG22 ILE 62 HG22 ILE 62 -6.430 8.707 6.780 469 HG23 ILE 62 HG23 ILE 62 -5.679 8.402 8.359 470 HD11 ILE 62 HD11 ILE 62 -4.899 8.163 4.621 471 HD12 ILE 62 HD12 ILE 62 -3.770 6.846 4.975 472 HD13 ILE 62 HD13 ILE 62 -4.879 6.719 3.598 473 H ALA 63 HN ALA 63 -6.478 5.056 9.262 474 HA ALA 63 HA ALA 63 -5.535 6.226 11.781 475 HB1 ALA 63 HB1 ALA 63 -7.896 4.386 11.213 476 HB2 ALA 63 HB2 ALA 63 -7.557 5.282 12.717 477 HB3 ALA 63 HB3 ALA 63 -7.948 6.170 11.231 478 H SER 64 HN SER 64 -6.260 2.898 10.645 479 HA SER 64 HA SER 64 -5.373 1.807 13.151 480 HB2 SER 64 HB2 SER 64 -7.216 1.231 11.162 481 HB3 SER 64 HB3 SER 64 -5.978 -0.002 10.893 482 HG SER 64 HG SER 64 -7.827 0.259 12.884 483 H ARG 65 HN ARG 65 -3.852 -0.114 13.240 484 HA ARG 65 HA ARG 65 -2.022 -0.309 10.983 485 HB2 ARG 65 HB2 ARG 65 0.011 -0.081 12.314 486 HB3 ARG 65 HB3 ARG 65 -0.942 1.371 12.252 487 HG2 ARG 65 HG2 ARG 65 -0.605 1.529 14.419 488 HG3 ARG 65 HG3 ARG 65 -1.913 0.368 14.619 489 HD2 ARG 65 HD2 ARG 65 -0.390 -1.465 14.929 490 HD3 ARG 65 HD3 ARG 65 0.942 -0.564 14.245 491 HE ARG 65 HE ARG 65 -0.100 -0.431 16.975 492 HH11 ARG 65 HH11 ARG 65 1.861 1.262 14.542 493 HH12 ARG 65 HH12 ARG 65 2.446 2.460 15.657 494 HH21 ARG 65 HH21 ARG 65 0.985 0.903 18.502 495 HH22 ARG 65 HH22 ARG 65 2.123 2.109 17.988 496 HA PRO 66 HA PRO 66 -2.544 -4.396 13.077 497 HB2 PRO 66 HB2 PRO 66 -4.626 -5.609 11.854 498 HB3 PRO 66 HB3 PRO 66 -4.865 -4.523 13.248 499 HG2 PRO 66 HG2 PRO 66 -5.238 -3.868 10.309 500 HG3 PRO 66 HG3 PRO 66 -6.283 -3.447 11.686 501 HD2 PRO 66 HD2 PRO 66 -4.382 -1.708 10.659 502 HD3 PRO 66 HD3 PRO 66 -4.949 -1.708 12.348 503 H ALA 67 HN ALA 67 -3.533 -3.733 9.709 504 HA ALA 67 HA ALA 67 -2.123 -5.878 8.502 505 HB1 ALA 67 HB1 ALA 67 -4.110 -4.775 7.548 506 HB2 ALA 67 HB2 ALA 67 -3.184 -3.280 7.307 507 HB3 ALA 67 HB3 ALA 67 -2.751 -4.744 6.404 508 H THR 68 HN THR 68 -0.898 -2.898 9.680 509 HA THR 68 HA THR 68 1.285 -2.470 7.910 510 HB THR 68 HB THR 68 0.907 -1.981 10.888 511 HG1 THR 68 HG1 THR 68 -0.535 -0.962 9.245 512 HG21 THR 68 HG21 THR 68 2.987 -0.854 8.966 513 HG22 THR 68 HG22 THR 68 3.285 -1.798 10.436 514 HG23 THR 68 HG23 THR 68 2.609 -0.168 10.565 515 H VAL 69 HN VAL 69 0.858 -4.815 10.600 516 HA VAL 69 HA VAL 69 3.485 -5.970 10.449 517 HB VAL 69 HB VAL 69 0.830 -7.303 11.144 518 HG11 VAL 69 HG11 VAL 69 2.653 -8.949 10.771 519 HG12 VAL 69 HG12 VAL 69 3.695 -8.049 11.879 520 HG13 VAL 69 HG13 VAL 69 2.230 -8.858 12.485 521 HG21 VAL 69 HG21 VAL 69 1.087 -5.350 12.607 522 HG22 VAL 69 HG22 VAL 69 1.402 -6.823 13.517 523 HG23 VAL 69 HG23 VAL 69 2.765 -5.827 12.968 524 H LYS 70 HN LYS 70 0.393 -6.575 8.712 525 HA LYS 70 HA LYS 70 1.338 -8.951 7.502 526 HB2 LYS 70 HB2 LYS 70 -1.015 -8.235 8.114 527 HB3 LYS 70 HB3 LYS 70 -1.058 -7.310 6.625 528 HG2 LYS 70 HG2 LYS 70 -1.049 -9.242 5.294 529 HG3 LYS 70 HG3 LYS 70 -0.133 -10.172 6.455 530 HD2 LYS 70 HD2 LYS 70 -2.354 -10.008 7.956 531 HD3 LYS 70 HD3 LYS 70 -3.078 -9.528 6.428 532 HE2 LYS 70 HE2 LYS 70 -3.428 -11.853 6.511 533 HE3 LYS 70 HE3 LYS 70 -2.063 -11.630 5.418 534 HZ1 LYS 70 HZ1 LYS 70 -0.633 -12.142 7.397 535 HZ2 LYS 70 HZ2 LYS 70 -1.543 -13.396 6.813 536 HZ3 LYS 70 HZ3 LYS 70 -1.974 -12.624 8.197 537 H LEU 71 HN LEU 71 1.274 -5.567 6.374 538 HA LEU 71 HA LEU 71 2.194 -5.939 3.722 539 HB2 LEU 71 HB2 LEU 71 3.140 -3.836 5.715 540 HB3 LEU 71 HB3 LEU 71 3.409 -3.764 3.985 541 HG LEU 71 HG LEU 71 0.716 -3.712 5.252 542 HD11 LEU 71 HD11 LEU 71 0.842 -1.222 4.717 543 HD12 LEU 71 HD12 LEU 71 2.523 -1.474 4.237 544 HD13 LEU 71 HD13 LEU 71 2.034 -1.745 5.926 545 HD21 LEU 71 HD21 LEU 71 -0.228 -2.943 3.247 546 HD22 LEU 71 HD22 LEU 71 0.705 -4.380 2.827 547 HD23 LEU 71 HD23 LEU 71 1.327 -2.741 2.484 548 H THR 72 HN THR 72 4.017 -5.909 6.813 549 HA THR 72 HA THR 72 6.582 -5.745 5.686 550 HB THR 72 HB THR 72 5.637 -6.872 8.355 551 HG1 THR 72 HG1 THR 72 5.031 -4.813 8.424 552 HG21 THR 72 HG21 THR 72 7.878 -7.573 7.956 553 HG22 THR 72 HG22 THR 72 7.907 -6.239 9.132 554 HG23 THR 72 HG23 THR 72 8.368 -5.939 7.432 555 H ARG 73 HN ARG 73 4.544 -8.536 6.387 556 HA ARG 73 HA ARG 73 6.336 -10.615 6.012 557 HB2 ARG 73 HB2 ARG 73 3.482 -10.542 4.941 558 HB3 ARG 73 HB3 ARG 73 4.414 -11.971 5.272 559 HG2 ARG 73 HG2 ARG 73 4.345 -10.341 7.693 560 HG3 ARG 73 HG3 ARG 73 2.728 -10.460 7.031 561 HD2 ARG 73 HD2 ARG 73 3.238 -12.130 8.739 562 HD3 ARG 73 HD3 ARG 73 2.694 -12.833 7.204 563 HE ARG 73 HE ARG 73 5.438 -12.892 8.368 564 HH11 ARG 73 HH11 ARG 73 3.350 -13.999 5.628 565 HH12 ARG 73 HH12 ARG 73 4.309 -15.410 5.373 566 HH21 ARG 73 HH21 ARG 73 6.730 -14.678 7.815 567 HH22 ARG 73 HH22 ARG 73 6.354 -15.701 6.483 568 H SER 74 HN SER 74 4.964 -8.525 3.517 569 HA SER 74 HA SER 74 6.122 -10.130 1.303 570 HB2 SER 74 HB2 SER 74 3.800 -9.606 1.209 571 HB3 SER 74 HB3 SER 74 4.082 -7.888 1.538 572 HG SER 74 HG SER 74 5.198 -9.075 -0.778 573 H ILE 75 HN ILE 75 7.286 -7.834 3.409 574 HA ILE 75 HA ILE 75 8.936 -6.539 1.297 575 HB ILE 75 HB ILE 75 8.341 -5.505 4.068 576 HG12 ILE 75 HG12 ILE 75 7.512 -4.311 1.357 577 HG13 ILE 75 HG13 ILE 75 6.434 -5.336 2.281 578 HG21 ILE 75 HG21 ILE 75 9.790 -4.170 1.723 579 HG22 ILE 75 HG22 ILE 75 9.696 -3.600 3.404 580 HG23 ILE 75 HG23 ILE 75 10.647 -5.029 2.998 581 HD11 ILE 75 HD11 ILE 75 7.614 -2.787 3.440 582 HD12 ILE 75 HD12 ILE 75 6.042 -2.919 2.651 583 HD13 ILE 75 HD13 ILE 75 6.347 -3.853 4.117 584 HA PRO 76 HA PRO 76 11.637 -9.705 3.420 585 HB2 PRO 76 HB2 PRO 76 12.956 -10.518 1.187 586 HB3 PRO 76 HB3 PRO 76 11.267 -11.042 1.458 587 HG2 PRO 76 HG2 PRO 76 12.076 -8.664 -0.181 588 HG3 PRO 76 HG3 PRO 76 11.131 -10.104 -0.696 589 HD2 PRO 76 HD2 PRO 76 9.832 -7.939 0.214 590 HD3 PRO 76 HD3 PRO 76 9.336 -9.556 0.781 591 H ALA 77 HN ALA 77 14.176 -9.659 3.159 592 HA ALA 77 HA ALA 77 15.110 -7.152 3.956 593 HB1 ALA 77 HB1 ALA 77 17.346 -8.135 3.705 594 HB2 ALA 77 HB2 ALA 77 16.228 -9.159 4.622 595 HB3 ALA 77 HB3 ALA 77 16.636 -9.573 2.941 596 HA PRO 78 HA PRO 78 17.014 -6.545 -0.492 597 HB2 PRO 78 HB2 PRO 78 15.391 -7.572 -2.551 598 HB3 PRO 78 HB3 PRO 78 16.941 -8.255 -1.968 599 HG2 PRO 78 HG2 PRO 78 14.124 -9.001 -1.131 600 HG3 PRO 78 HG3 PRO 78 15.478 -10.113 -1.487 601 HD2 PRO 78 HD2 PRO 78 14.945 -9.654 0.993 602 HD3 PRO 78 HD3 PRO 78 16.643 -9.543 0.475 603 H TYR 79 HN TYR 79 13.504 -6.616 0.286 604 HA TYR 79 HA TYR 79 13.128 -4.314 -1.517 605 HB2 TYR 79 HB2 TYR 79 11.155 -6.198 -0.226 606 HB3 TYR 79 HB3 TYR 79 10.720 -4.828 -1.250 607 HD1 TYR 79 HD1 TYR 79 13.071 -5.126 -3.278 608 HD2 TYR 79 HD2 TYR 79 10.180 -7.982 -1.739 609 HE1 TYR 79 HE1 TYR 79 13.056 -6.208 -5.372 610 HE2 TYR 79 HE2 TYR 79 10.297 -9.190 -3.855 611 HH TYR 79 HH TYR 79 12.700 -8.463 -6.308 612 H LYS 80 HN LYS 80 14.128 -4.535 1.407 613 HA LYS 80 HA LYS 80 12.260 -3.095 3.024 614 HB2 LYS 80 HB2 LYS 80 15.309 -3.345 3.198 615 HB3 LYS 80 HB3 LYS 80 14.373 -2.479 4.412 616 HG2 LYS 80 HG2 LYS 80 13.866 -5.383 3.680 617 HG3 LYS 80 HG3 LYS 80 14.886 -4.859 5.025 618 HD2 LYS 80 HD2 LYS 80 12.898 -3.560 5.899 619 HD3 LYS 80 HD3 LYS 80 11.901 -4.298 4.650 620 HE2 LYS 80 HE2 LYS 80 12.073 -6.440 5.480 621 HE3 LYS 80 HE3 LYS 80 13.512 -6.075 6.458 622 HZ1 LYS 80 HZ1 LYS 80 10.854 -4.870 6.961 623 HZ2 LYS 80 HZ2 LYS 80 12.197 -4.767 7.906 624 HZ3 LYS 80 HZ3 LYS 80 11.412 -6.213 7.735 625 H GLN 81 HN GLN 81 15.112 -1.803 1.396 626 HA GLN 81 HA GLN 81 14.367 0.852 2.187 627 HB2 GLN 81 HB2 GLN 81 16.539 1.462 1.044 628 HB3 GLN 81 HB3 GLN 81 16.552 0.569 2.553 629 HG2 GLN 81 HG2 GLN 81 16.959 -1.466 1.553 630 HG3 GLN 81 HG3 GLN 81 16.577 -0.851 -0.058 631 HE21 GLN 81 HE21 GLN 81 19.054 -2.221 0.877 632 HE22 GLN 81 HE22 GLN 81 20.345 -1.141 0.434 633 H LEU 82 HN LEU 82 12.940 -0.709 -0.198 634 HA LEU 82 HA LEU 82 13.527 0.663 -2.607 635 HB2 LEU 82 HB2 LEU 82 10.928 -0.630 -1.783 636 HB3 LEU 82 HB3 LEU 82 11.412 -0.131 -3.405 637 HG LEU 82 HG LEU 82 12.122 -2.521 -1.879 638 HD11 LEU 82 HD11 LEU 82 11.598 -3.596 -3.928 639 HD12 LEU 82 HD12 LEU 82 11.781 -2.088 -4.847 640 HD13 LEU 82 HD13 LEU 82 10.439 -2.277 -3.729 641 HD21 LEU 82 HD21 LEU 82 14.053 -3.065 -3.328 642 HD22 LEU 82 HD22 LEU 82 14.402 -1.750 -2.207 643 HD23 LEU 82 HD23 LEU 82 14.067 -1.386 -3.921 644 H LEU 83 HN LEU 83 12.665 2.392 -0.130 645 HA LEU 83 HA LEU 83 10.697 4.098 -1.535 646 HB2 LEU 83 HB2 LEU 83 11.538 3.913 1.308 647 HB3 LEU 83 HB3 LEU 83 11.335 5.523 0.695 648 HG LEU 83 HG LEU 83 9.214 3.377 0.439 649 HD11 LEU 83 HD11 LEU 83 8.065 4.528 2.278 650 HD12 LEU 83 HD12 LEU 83 9.428 5.662 2.431 651 HD13 LEU 83 HD13 LEU 83 9.656 3.943 2.795 652 HD21 LEU 83 HD21 LEU 83 8.871 5.117 -1.260 653 HD22 LEU 83 HD22 LEU 83 9.116 6.383 -0.043 654 HD23 LEU 83 HD23 LEU 83 7.687 5.329 0.028 655 H LYS 84 HN LYS 84 14.184 3.780 -0.661 656 HA LYS 84 HA LYS 84 14.565 6.498 -1.842 657 HB2 LYS 84 HB2 LYS 84 16.695 5.166 -0.235 658 HB3 LYS 84 HB3 LYS 84 16.333 6.877 -0.567 659 HG2 LYS 84 HG2 LYS 84 14.215 6.494 0.826 660 HG3 LYS 84 HG3 LYS 84 14.971 5.042 1.402 661 HD2 LYS 84 HD2 LYS 84 16.223 7.839 1.526 662 HD3 LYS 84 HD3 LYS 84 15.328 7.126 2.857 663 HE2 LYS 84 HE2 LYS 84 17.073 5.858 3.505 664 HE3 LYS 84 HE3 LYS 84 17.424 5.322 1.863 665 HZ1 LYS 84 HZ1 LYS 84 18.208 8.035 2.735 666 HZ2 LYS 84 HZ2 LYS 84 18.826 7.141 1.517 667 HZ3 LYS 84 HZ3 LYS 84 19.144 6.742 3.081 668 H GLU 85 HN GLU 85 15.537 3.189 -1.870 669 HA GLU 85 HA GLU 85 17.780 2.960 -3.347 670 HB2 GLU 85 HB2 GLU 85 15.454 1.355 -2.682 671 HB3 GLU 85 HB3 GLU 85 15.927 0.932 -4.307 672 HG2 GLU 85 HG2 GLU 85 18.070 1.148 -2.219 673 HG3 GLU 85 HG3 GLU 85 16.911 -0.163 -2.083 674 H GLU 86 HN GLU 86 14.533 3.165 -4.885 675 HA GLU 86 HA GLU 86 15.891 3.427 -7.527 676 HB2 GLU 86 HB2 GLU 86 13.805 2.226 -8.277 677 HB3 GLU 86 HB3 GLU 86 15.050 1.312 -7.434 678 HG2 GLU 86 HG2 GLU 86 13.688 1.296 -5.392 679 HG3 GLU 86 HG3 GLU 86 12.417 2.192 -6.251 680 H LEU 87 HN LEU 87 13.102 4.307 -5.658 681 HA LEU 87 HA LEU 87 12.023 6.333 -7.438 682 HB2 LEU 87 HB2 LEU 87 11.758 6.149 -4.420 683 HB3 LEU 87 HB3 LEU 87 10.809 7.165 -5.459 684 HG LEU 87 HG LEU 87 10.694 4.118 -5.313 685 HD11 LEU 87 HD11 LEU 87 9.737 5.202 -3.379 686 HD12 LEU 87 HD12 LEU 87 8.377 4.736 -4.422 687 HD13 LEU 87 HD13 LEU 87 8.920 6.424 -4.361 688 HD21 LEU 87 HD21 LEU 87 10.210 4.885 -7.597 689 HD22 LEU 87 HD22 LEU 87 9.061 6.071 -6.982 690 HD23 LEU 87 HD23 LEU 87 8.742 4.333 -6.792 691 H GLY 88 HN GLY 88 13.980 6.552 -4.423 692 HA2 GLY 88 HA2 GLY 88 15.694 8.186 -4.080 693 HA3 GLY 88 HA1 GLY 88 14.899 9.269 -5.197 694 H PHE 89 HN PHE 89 12.950 7.639 -2.576 695 HA PHE 89 HA PHE 89 12.221 10.293 -1.591 696 HB2 PHE 89 HB2 PHE 89 10.597 8.390 -1.751 697 HB3 PHE 89 HB3 PHE 89 11.572 7.496 -0.598 698 HD1 PHE 89 HD1 PHE 89 9.396 10.515 -0.894 699 HD2 PHE 89 HD2 PHE 89 11.234 7.614 1.715 700 HE1 PHE 89 HE1 PHE 89 7.982 11.304 1.004 701 HE2 PHE 89 HE2 PHE 89 9.791 8.348 3.564 702 HZ PHE 89 HZ PHE 89 8.166 10.207 3.225 703 H ALA 90 HN ALA 90 12.357 10.686 0.908 704 HA ALA 90 HA ALA 90 14.569 9.224 2.195 705 HB1 ALA 90 HB1 ALA 90 15.358 11.338 3.259 706 HB2 ALA 90 HB2 ALA 90 15.704 11.217 1.524 707 HB3 ALA 90 HB3 ALA 90 14.369 12.239 2.085 708 H GLY 91 HN GLY 91 12.518 12.015 3.228 709 HA2 GLY 91 HA2 GLY 91 10.475 10.546 4.469 710 HA3 GLY 91 HA1 GLY 91 11.764 10.723 5.656 711 H TYR 92 HN TYR 92 9.045 11.890 5.511 712 HA TYR 92 HA TYR 92 8.890 14.415 4.505 713 HB2 TYR 92 HB2 TYR 92 7.463 13.293 6.949 714 HB3 TYR 92 HB3 TYR 92 6.925 14.665 5.993 715 HD1 TYR 92 HD1 TYR 92 6.369 14.310 3.505 716 HD2 TYR 92 HD2 TYR 92 6.884 11.008 6.267 717 HE1 TYR 92 HE1 TYR 92 5.150 12.835 1.973 718 HE2 TYR 92 HE2 TYR 92 5.635 9.550 4.732 719 HH TYR 92 HH TYR 92 4.058 10.773 1.797 720 H SER 93 HN SER 93 9.426 16.471 5.087 721 HA SER 93 HA SER 93 11.187 17.090 7.230 722 HB2 SER 93 HB2 SER 93 9.285 18.889 5.699 723 HB3 SER 93 HB3 SER 93 10.720 19.406 6.573 724 HG SER 93 HG SER 93 10.409 18.263 4.070 725 H ILE 94 HN ILE 94 10.708 18.640 8.923 726 HA ILE 94 HA ILE 94 8.536 17.971 10.567 727 HB ILE 94 HB ILE 94 10.550 18.860 11.464 728 HG12 ILE 94 HG12 ILE 94 9.616 20.556 13.034 729 HG13 ILE 94 HG13 ILE 94 8.159 20.667 12.074 730 HG21 ILE 94 HG21 ILE 94 11.103 20.504 9.682 731 HG22 ILE 94 HG22 ILE 94 9.813 21.564 10.282 732 HG23 ILE 94 HG23 ILE 94 11.205 21.196 11.304 733 HD11 ILE 94 HD11 ILE 94 9.155 18.100 13.397 734 HD12 ILE 94 HD12 ILE 94 7.933 19.191 14.078 735 HD13 ILE 94 HD13 ILE 94 7.593 18.331 12.572 736 H ASN 95 HN ASN 95 8.852 20.663 8.306 737 HA ASN 95 HA ASN 95 6.400 21.907 9.059 738 HB2 ASN 95 HB2 ASN 95 6.560 23.146 6.901 739 HB3 ASN 95 HB3 ASN 95 7.958 23.280 7.962 740 HD21 ASN 95 HD21 ASN 95 9.170 24.035 5.987 741 HD22 ASN 95 HD22 ASN 95 9.733 22.782 4.895 742 H GLU 96 HN GLU 96 6.896 18.968 7.441 743 HA GLU 96 HA GLU 96 4.213 19.013 6.151 744 HB2 GLU 96 HB2 GLU 96 6.762 17.434 5.597 745 HB3 GLU 96 HB3 GLU 96 5.227 17.087 4.812 746 HG2 GLU 96 HG2 GLU 96 6.369 19.887 4.668 747 HG3 GLU 96 HG3 GLU 96 7.005 18.607 3.653 748 H LEU 97 HN LEU 97 5.725 17.971 9.013 749 HA LEU 97 HA LEU 97 5.163 15.205 8.782 750 HB2 LEU 97 HB2 LEU 97 6.459 17.019 10.716 751 HB3 LEU 97 HB3 LEU 97 5.573 15.758 11.505 752 HG LEU 97 HG LEU 97 7.734 15.312 9.411 753 HD11 LEU 97 HD11 LEU 97 8.584 16.088 11.625 754 HD12 LEU 97 HD12 LEU 97 9.051 14.426 11.275 755 HD13 LEU 97 HD13 LEU 97 7.719 14.758 12.408 756 HD21 LEU 97 HD21 LEU 97 7.586 12.943 10.080 757 HD22 LEU 97 HD22 LEU 97 6.141 13.468 9.266 758 HD23 LEU 97 HD23 LEU 97 6.135 13.295 11.043 759 H VAL 98 HN VAL 98 3.052 14.875 8.341 760 HA VAL 98 HA VAL 98 1.175 15.232 10.625 761 HB VAL 98 HB VAL 98 -0.654 15.183 8.951 762 HG11 VAL 98 HG11 VAL 98 0.282 17.279 9.799 763 HG12 VAL 98 HG12 VAL 98 1.351 17.384 8.378 764 HG13 VAL 98 HG13 VAL 98 -0.417 17.421 8.178 765 HG21 VAL 98 HG21 VAL 98 0.396 14.044 7.058 766 HG22 VAL 98 HG22 VAL 98 -0.234 15.613 6.576 767 HG23 VAL 98 HG23 VAL 98 1.508 15.401 6.834 768 HA PRO 99 HA PRO 99 0.842 10.821 10.646 769 HB2 PRO 99 HB2 PRO 99 -1.850 10.391 11.107 770 HB3 PRO 99 HB3 PRO 99 -0.652 10.834 12.364 771 HG2 PRO 99 HG2 PRO 99 -2.548 12.636 10.887 772 HG3 PRO 99 HG3 PRO 99 -2.161 12.607 12.640 773 HD2 PRO 99 HD2 PRO 99 -1.008 14.413 10.976 774 HD3 PRO 99 HD3 PRO 99 -0.070 13.663 12.294 775 H ARG 100 HN ARG 100 -1.392 12.753 8.576 776 HA ARG 100 HA ARG 100 -1.985 10.414 6.919 777 HB2 ARG 100 HB2 ARG 100 -2.737 13.345 6.616 778 HB3 ARG 100 HB3 ARG 100 -3.126 12.085 5.436 779 HG2 ARG 100 HG2 ARG 100 -4.200 10.750 7.284 780 HG3 ARG 100 HG3 ARG 100 -4.109 12.185 8.302 781 HD2 ARG 100 HD2 ARG 100 -5.448 12.152 5.552 782 HD3 ARG 100 HD3 ARG 100 -6.307 11.739 7.042 783 HE ARG 100 HE ARG 100 -5.013 14.219 7.443 784 HH11 ARG 100 HH11 ARG 100 -7.663 13.100 5.291 785 HH12 ARG 100 HH12 ARG 100 -8.719 14.363 5.786 786 HH21 ARG 100 HH21 ARG 100 -6.198 15.985 7.748 787 HH22 ARG 100 HH22 ARG 100 -7.644 16.317 6.834 788 H LYS 101 HN LYS 101 0.878 11.794 7.209 789 HA LYS 101 HA LYS 101 1.537 11.286 4.342 790 HB2 LYS 101 HB2 LYS 101 2.610 13.397 6.227 791 HB3 LYS 101 HB3 LYS 101 3.646 12.709 5.002 792 HG2 LYS 101 HG2 LYS 101 2.058 13.313 3.207 793 HG3 LYS 101 HG3 LYS 101 0.975 14.048 4.409 794 HD2 LYS 101 HD2 LYS 101 2.727 15.643 5.036 795 HD3 LYS 101 HD3 LYS 101 3.880 14.861 3.965 796 HE2 LYS 101 HE2 LYS 101 3.196 16.861 2.932 797 HE3 LYS 101 HE3 LYS 101 2.481 15.530 2.019 798 HZ1 LYS 101 HZ1 LYS 101 0.958 17.073 4.047 799 HZ2 LYS 101 HZ2 LYS 101 0.386 16.027 2.860 800 HZ3 LYS 101 HZ3 LYS 101 1.026 17.442 2.449 801 H THR 102 HN THR 102 2.811 11.133 7.766 802 HA THR 102 HA THR 102 4.960 9.447 7.199 803 HB THR 102 HB THR 102 4.700 8.720 9.602 804 HG1 THR 102 HG1 THR 102 3.059 10.238 10.662 805 HG21 THR 102 HG21 THR 102 4.447 11.727 9.151 806 HG22 THR 102 HG22 THR 102 5.937 10.778 8.932 807 HG23 THR 102 HG23 THR 102 5.203 10.906 10.537 808 H ARG 103 HN ARG 103 1.613 8.487 8.050 809 HA ARG 103 HA ARG 103 2.240 5.679 7.905 810 HB2 ARG 103 HB2 ARG 103 -0.339 7.286 8.027 811 HB3 ARG 103 HB3 ARG 103 -0.330 5.533 8.060 812 HG2 ARG 103 HG2 ARG 103 0.444 5.379 10.175 813 HG3 ARG 103 HG3 ARG 103 1.624 6.643 9.965 814 HD2 ARG 103 HD2 ARG 103 -0.855 8.017 9.978 815 HD3 ARG 103 HD3 ARG 103 -1.014 6.767 11.190 816 HE ARG 103 HE ARG 103 1.344 8.613 11.036 817 HH11 ARG 103 HH11 ARG 103 -1.133 7.034 13.068 818 HH12 ARG 103 HH12 ARG 103 -0.679 7.897 14.500 819 HH21 ARG 103 HH21 ARG 103 1.993 9.645 13.003 820 HH22 ARG 103 HH22 ARG 103 1.140 9.297 14.490 821 H ARG 104 HN ARG 104 1.498 7.956 5.368 822 HA ARG 104 HA ARG 104 0.590 5.953 3.498 823 HB2 ARG 104 HB2 ARG 104 1.251 8.842 3.404 824 HB3 ARG 104 HB3 ARG 104 1.767 7.985 1.972 825 HG2 ARG 104 HG2 ARG 104 -1.023 8.096 3.135 826 HG3 ARG 104 HG3 ARG 104 -0.459 8.885 1.685 827 HD2 ARG 104 HD2 ARG 104 -1.414 6.121 2.134 828 HD3 ARG 104 HD3 ARG 104 -1.547 7.174 0.734 829 HE ARG 104 HE ARG 104 1.140 6.298 0.987 830 HH11 ARG 104 HH11 ARG 104 -1.974 4.856 0.151 831 HH12 ARG 104 HH12 ARG 104 -1.389 3.847 -1.089 832 HH21 ARG 104 HH21 ARG 104 1.989 5.009 -0.697 833 HH22 ARG 104 HH22 ARG 104 0.939 3.991 -1.637 834 H ALA 105 HN ALA 105 3.825 7.273 4.359 835 HA ALA 105 HA ALA 105 5.291 6.110 2.279 836 HB1 ALA 105 HB1 ALA 105 6.316 7.664 3.828 837 HB2 ALA 105 HB2 ALA 105 6.104 6.534 5.188 838 HB3 ALA 105 HB3 ALA 105 7.219 6.147 3.866 839 H THR 106 HN THR 106 4.200 4.548 5.350 840 HA THR 106 HA THR 106 5.275 2.079 5.185 841 HB THR 106 HB THR 106 2.332 2.565 5.782 842 HG1 THR 106 HG1 THR 106 3.127 3.193 7.888 843 HG21 THR 106 HG21 THR 106 4.385 0.900 7.259 844 HG22 THR 106 HG22 THR 106 3.277 0.254 6.034 845 HG23 THR 106 HG23 THR 106 2.627 0.948 7.531 846 H MET 107 HN MET 107 2.261 3.129 3.536 847 HA MET 107 HA MET 107 1.719 0.602 2.268 848 HB2 MET 107 HB2 MET 107 0.792 3.444 1.765 849 HB3 MET 107 HB3 MET 107 0.061 2.033 1.012 850 HG2 MET 107 HG2 MET 107 -1.001 1.393 3.006 851 HG3 MET 107 HG3 MET 107 0.243 2.109 4.019 852 HE1 MET 107 HE1 MET 107 -3.622 4.089 2.704 853 HE2 MET 107 HE2 MET 107 -2.643 3.382 1.398 854 HE3 MET 107 HE3 MET 107 -3.193 2.366 2.731 855 H THR 108 HN THR 108 3.303 3.701 1.235 856 HA THR 108 HA THR 108 3.499 3.075 -1.501 857 HB THR 108 HB THR 108 5.521 4.698 0.098 858 HG1 THR 108 HG1 THR 108 4.110 6.435 -0.447 859 HG21 THR 108 HG21 THR 108 5.961 4.244 -2.367 860 HG22 THR 108 HG22 THR 108 5.692 5.955 -2.027 861 HG23 THR 108 HG23 THR 108 4.375 4.970 -2.701 862 H ASN 109 HN ASN 109 5.830 2.327 1.158 863 HA ASN 109 HA ASN 109 7.746 1.207 -0.637 864 HB2 ASN 109 HB2 ASN 109 7.882 1.942 1.931 865 HB3 ASN 109 HB3 ASN 109 7.324 0.319 2.269 866 HD21 ASN 109 HD21 ASN 109 8.940 -1.311 0.460 867 HD22 ASN 109 HD22 ASN 109 10.573 -1.080 1.024 868 H TRP 110 HN TRP 110 4.847 -0.181 0.862 869 HA TRP 110 HA TRP 110 5.566 -2.953 0.254 870 HB2 TRP 110 HB2 TRP 110 3.980 -2.460 2.065 871 HB3 TRP 110 HB3 TRP 110 2.941 -1.595 0.963 872 HD1 TRP 110 HD1 TRP 110 3.746 -5.104 2.097 873 HE1 TRP 110 HE1 TRP 110 2.147 -6.800 0.915 874 HE3 TRP 110 HE3 TRP 110 1.222 -1.867 -0.820 875 HZ2 TRP 110 HZ2 TRP 110 -0.005 -6.674 -1.007 876 HZ3 TRP 110 HZ3 TRP 110 -0.670 -2.614 -2.268 877 HH2 TRP 110 HH2 TRP 110 -1.216 -5.031 -2.425 878 H LEU 111 HN LEU 111 3.778 -0.289 -1.339 879 HA LEU 111 HA LEU 111 2.589 -1.914 -3.390 880 HB2 LEU 111 HB2 LEU 111 3.209 1.057 -3.187 881 HB3 LEU 111 HB3 LEU 111 2.524 0.337 -4.641 882 HG LEU 111 HG LEU 111 1.104 -0.216 -2.060 883 HD11 LEU 111 HD11 LEU 111 -0.187 1.776 -2.073 884 HD12 LEU 111 HD12 LEU 111 0.656 2.401 -3.491 885 HD13 LEU 111 HD13 LEU 111 1.530 2.201 -1.943 886 HD21 LEU 111 HD21 LEU 111 -0.875 -0.161 -3.483 887 HD22 LEU 111 HD22 LEU 111 0.340 -1.189 -4.244 888 HD23 LEU 111 HD23 LEU 111 0.068 0.448 -4.848 889 H LEU 112 HN LEU 112 5.526 0.102 -3.289 890 HA LEU 112 HA LEU 112 6.087 -0.505 -6.040 891 HB2 LEU 112 HB2 LEU 112 7.196 1.412 -5.931 892 HB3 LEU 112 HB3 LEU 112 6.503 1.564 -4.390 893 HG LEU 112 HG LEU 112 8.645 2.265 -4.205 894 HD11 LEU 112 HD11 LEU 112 9.218 1.145 -2.307 895 HD12 LEU 112 HD12 LEU 112 9.061 -0.464 -3.043 896 HD13 LEU 112 HD13 LEU 112 7.612 0.453 -2.578 897 HD21 LEU 112 HD21 LEU 112 9.440 1.207 -6.356 898 HD22 LEU 112 HD22 LEU 112 9.805 -0.264 -5.446 899 HD23 LEU 112 HD23 LEU 112 10.617 1.248 -5.070 900 H ALA 113 HN ALA 113 7.063 -2.040 -3.090 901 HA ALA 113 HA ALA 113 9.138 -3.834 -4.237 902 HB1 ALA 113 HB1 ALA 113 7.302 -4.042 -1.788 903 HB2 ALA 113 HB2 ALA 113 8.658 -5.123 -2.173 904 HB3 ALA 113 HB3 ALA 113 8.968 -3.402 -1.786 905 H TYR 114 HN TYR 114 5.574 -3.837 -3.961 906 HA TYR 114 HA TYR 114 5.297 -6.565 -4.289 907 HB2 TYR 114 HB2 TYR 114 3.499 -5.066 -3.600 908 HB3 TYR 114 HB3 TYR 114 3.481 -4.338 -5.200 909 HD1 TYR 114 HD2 TYR 114 3.299 -7.889 -3.860 910 HD2 TYR 114 HD1 TYR 114 1.830 -4.933 -6.630 911 HE1 TYR 114 HE2 TYR 114 1.509 -9.441 -4.586 912 HE2 TYR 114 HE1 TYR 114 -0.120 -6.313 -7.107 913 HH TYR 114 HH TYR 114 -1.166 -8.320 -6.697 914 H ARG 115 HN ARG 115 5.364 -4.085 -6.970 915 HA ARG 115 HA ARG 115 4.910 -6.131 -8.899 916 HB2 ARG 115 HB2 ARG 115 5.534 -4.779 -10.681 917 HB3 ARG 115 HB3 ARG 115 4.664 -3.781 -9.583 918 HG2 ARG 115 HG2 ARG 115 7.719 -3.784 -9.813 919 HG3 ARG 115 HG3 ARG 115 6.680 -2.795 -10.813 920 HD2 ARG 115 HD2 ARG 115 5.912 -1.487 -8.966 921 HD3 ARG 115 HD3 ARG 115 6.583 -2.624 -7.800 922 HE ARG 115 HE ARG 115 8.568 -1.567 -7.919 923 HH11 ARG 115 HH11 ARG 115 6.728 -0.536 -10.847 924 HH12 ARG 115 HH12 ARG 115 7.990 0.624 -11.268 925 HH21 ARG 115 HH21 ARG 115 10.223 -0.011 -8.689 926 HH22 ARG 115 HH22 ARG 115 9.755 0.987 -10.017 927 H ARG 116 HN ARG 116 7.928 -5.069 -7.347 928 HA ARG 116 HA ARG 116 9.824 -6.327 -9.043 929 HB2 ARG 116 HB2 ARG 116 9.915 -5.999 -6.004 930 HB3 ARG 116 HB3 ARG 116 11.242 -6.397 -7.039 931 HG2 ARG 116 HG2 ARG 116 9.806 -3.712 -7.160 932 HG3 ARG 116 HG3 ARG 116 11.319 -4.080 -6.283 933 HD2 ARG 116 HD2 ARG 116 12.130 -5.108 -8.500 934 HD3 ARG 116 HD3 ARG 116 10.838 -4.125 -9.242 935 HE ARG 116 HE ARG 116 12.204 -2.198 -7.860 936 HH11 ARG 116 HH11 ARG 116 13.320 -4.829 -9.982 937 HH12 ARG 116 HH12 ARG 116 14.983 -4.417 -9.803 938 HH21 ARG 116 HH21 ARG 116 14.263 -1.430 -8.042 939 HH22 ARG 116 HH22 ARG 116 15.480 -2.154 -9.077 940 H SER 117 HN SER 117 7.842 -7.543 -6.406 941 HA SER 117 HA SER 117 8.863 -10.182 -6.281 942 HB2 SER 117 HB2 SER 117 7.071 -8.736 -4.857 943 HB3 SER 117 HB3 SER 117 5.939 -9.733 -5.749 944 HG SER 117 HG SER 117 7.032 -11.582 -4.933 945 H GLN 118 HN GLN 118 6.451 -8.802 -8.538 946 HA GLN 118 HA GLN 118 5.699 -11.425 -9.640 947 HB2 GLN 118 HB2 GLN 118 5.030 -8.574 -10.399 948 HB3 GLN 118 HB3 GLN 118 4.755 -9.904 -11.522 949 HG2 GLN 118 HG2 GLN 118 3.387 -11.078 -9.793 950 HG3 GLN 118 HG3 GLN 118 3.528 -9.672 -8.743 951 HE21 GLN 118 HE21 GLN 118 1.953 -8.245 -8.991 952 HE22 GLN 118 HE22 GLN 118 0.905 -7.946 -10.400 953 H GLN 119 HN GLN 119 8.532 -9.524 -9.896 954 HA GLN 119 HA GLN 119 9.268 -10.696 -12.534 955 HB2 GLN 119 HB2 GLN 119 10.169 -8.132 -11.171 956 HB3 GLN 119 HB3 GLN 119 10.843 -8.753 -12.668 957 HG2 GLN 119 HG2 GLN 119 8.955 -8.224 -13.952 958 HG3 GLN 119 HG3 GLN 119 7.864 -8.190 -12.562 959 HE21 GLN 119 HE21 GLN 119 8.283 -6.559 -10.911 960 HE22 GLN 119 HE22 GLN 119 9.214 -5.102 -11.231 961 H ASP 120 HN ASP 120 9.341 -11.735 -9.696 962 HA ASP 120 HA ASP 120 12.125 -12.040 -8.899 963 HB2 ASP 120 HB2 ASP 120 10.091 -12.447 -7.426 964 HB3 ASP 120 HB3 ASP 120 9.851 -13.961 -8.311 Start of MODEL 9 1 H1 MET 1 HN MET 1 -3.908 -11.603 -9.090 2 HA MET 1 HA MET 1 -4.656 -10.822 -11.817 3 HB2 MET 1 HB2 MET 1 -5.773 -8.874 -11.217 4 HB3 MET 1 HB3 MET 1 -6.449 -10.102 -10.162 5 HG2 MET 1 HG2 MET 1 -6.031 -8.694 -8.437 6 HG3 MET 1 HG3 MET 1 -4.333 -9.004 -8.646 7 HE1 MET 1 HE1 MET 1 -7.289 -6.676 -8.901 8 HE2 MET 1 HE2 MET 1 -6.679 -5.253 -9.766 9 HE3 MET 1 HE3 MET 1 -7.070 -6.733 -10.668 10 H GLY 2 HN GLY 2 -3.599 -8.154 -11.807 11 HA2 GLY 2 HA2 GLY 2 -1.408 -7.782 -10.115 12 HA3 GLY 2 HA1 GLY 2 -0.780 -8.523 -11.567 13 H ILE 3 HN ILE 3 -2.073 -5.675 -10.184 14 HA ILE 3 HA ILE 3 -2.064 -4.049 -12.586 15 HB ILE 3 HB ILE 3 -1.722 -3.246 -9.690 16 HG12 ILE 3 HG12 ILE 3 -4.348 -3.212 -11.196 17 HG13 ILE 3 HG13 ILE 3 -3.833 -4.616 -10.261 18 HG21 ILE 3 HG21 ILE 3 -3.129 -1.160 -10.900 19 HG22 ILE 3 HG22 ILE 3 -1.436 -1.187 -10.461 20 HG23 ILE 3 HG23 ILE 3 -1.923 -1.607 -12.110 21 HD11 ILE 3 HD11 ILE 3 -3.619 -3.178 -8.232 22 HD12 ILE 3 HD12 ILE 3 -4.292 -1.820 -9.154 23 HD13 ILE 3 HD13 ILE 3 -5.275 -3.268 -8.869 24 H THR 4 HN THR 4 -0.533 -2.561 -13.100 25 HA THR 4 HA THR 4 2.346 -3.126 -12.624 26 HB THR 4 HB THR 4 0.970 -1.043 -14.396 27 HG1 THR 4 HG1 THR 4 1.603 -3.717 -14.881 28 HG21 THR 4 HG21 THR 4 3.824 -2.077 -14.491 29 HG22 THR 4 HG22 THR 4 3.336 -0.490 -13.846 30 HG23 THR 4 HG23 THR 4 3.115 -0.841 -15.553 31 H ILE 5 HN ILE 5 3.656 -1.483 -11.485 32 HA ILE 5 HA ILE 5 2.095 0.835 -10.433 33 HB ILE 5 HB ILE 5 4.338 -0.659 -9.060 34 HG12 ILE 5 HG12 ILE 5 2.260 -2.036 -9.184 35 HG13 ILE 5 HG13 ILE 5 2.843 -1.681 -7.583 36 HG21 ILE 5 HG21 ILE 5 2.559 1.604 -8.095 37 HG22 ILE 5 HG22 ILE 5 3.731 0.697 -7.103 38 HG23 ILE 5 HG23 ILE 5 4.281 1.676 -8.477 39 HD11 ILE 5 HD11 ILE 5 0.490 -0.305 -8.955 40 HD12 ILE 5 HD12 ILE 5 0.393 -1.582 -7.726 41 HD13 ILE 5 HD13 ILE 5 1.048 0.004 -7.296 42 H THR 6 HN THR 6 2.656 2.509 -11.506 43 HA THR 6 HA THR 6 5.371 2.932 -12.513 44 HB THR 6 HB THR 6 4.176 5.098 -13.319 45 HG1 THR 6 HG1 THR 6 2.021 4.996 -13.430 46 HG21 THR 6 HG21 THR 6 3.130 3.816 -15.185 47 HG22 THR 6 HG22 THR 6 3.318 2.314 -14.239 48 HG23 THR 6 HG23 THR 6 4.746 3.230 -14.786 49 H ASP 7 HN ASP 7 6.799 4.357 -11.772 50 HA ASP 7 HA ASP 7 7.041 5.440 -9.216 51 HB2 ASP 7 HB2 ASP 7 8.407 7.240 -10.620 52 HB3 ASP 7 HB3 ASP 7 9.002 5.588 -10.392 53 H GLU 8 HN GLU 8 5.557 6.913 -12.142 54 HA GLU 8 HA GLU 8 5.019 9.407 -11.186 55 HB2 GLU 8 HB2 GLU 8 3.544 9.659 -12.975 56 HB3 GLU 8 HB3 GLU 8 4.578 8.308 -13.481 57 HG2 GLU 8 HG2 GLU 8 2.781 6.783 -12.509 58 HG3 GLU 8 HG3 GLU 8 1.767 8.203 -12.310 59 H LEU 9 HN LEU 9 3.101 6.511 -10.637 60 HA LEU 9 HA LEU 9 0.893 7.806 -9.337 61 HB2 LEU 9 HB2 LEU 9 1.506 5.323 -10.598 62 HB3 LEU 9 HB3 LEU 9 1.117 4.878 -8.954 63 HG LEU 9 HG LEU 9 -0.659 6.687 -10.636 64 HD11 LEU 9 HD11 LEU 9 -0.371 4.606 -11.849 65 HD12 LEU 9 HD12 LEU 9 -1.984 4.641 -11.143 66 HD13 LEU 9 HD13 LEU 9 -0.713 3.654 -10.396 67 HD21 LEU 9 HD21 LEU 9 -1.293 4.959 -8.209 68 HD22 LEU 9 HD22 LEU 9 -2.429 6.005 -9.084 69 HD23 LEU 9 HD23 LEU 9 -1.094 6.728 -8.188 70 H LEU 10 HN LEU 10 3.723 6.010 -8.351 71 HA LEU 10 HA LEU 10 3.182 5.830 -5.521 72 HB2 LEU 10 HB2 LEU 10 5.669 5.795 -7.227 73 HB3 LEU 10 HB3 LEU 10 5.754 5.610 -5.471 74 HG LEU 10 HG LEU 10 4.144 3.789 -7.316 75 HD11 LEU 10 HD11 LEU 10 6.076 2.217 -7.097 76 HD12 LEU 10 HD12 LEU 10 7.010 3.513 -6.306 77 HD13 LEU 10 HD13 LEU 10 6.479 3.674 -7.996 78 HD21 LEU 10 HD21 LEU 10 4.259 2.217 -5.486 79 HD22 LEU 10 HD22 LEU 10 3.527 3.711 -4.905 80 HD23 LEU 10 HD23 LEU 10 5.233 3.324 -4.511 81 H TRP 11 HN TRP 11 4.957 8.185 -7.572 82 HA TRP 11 HA TRP 11 5.767 9.855 -5.402 83 HB2 TRP 11 HB2 TRP 11 5.772 10.165 -8.395 84 HB3 TRP 11 HB3 TRP 11 5.930 11.591 -7.403 85 HD1 TRP 11 HD1 TRP 11 8.072 9.179 -9.005 86 HE1 TRP 11 HE1 TRP 11 10.420 9.127 -8.025 87 HE3 TRP 11 HE3 TRP 11 7.257 12.078 -4.873 88 HZ2 TRP 11 HZ2 TRP 11 11.750 10.052 -5.615 89 HZ3 TRP 11 HZ3 TRP 11 9.107 12.482 -3.248 90 HH2 TRP 11 HH2 TRP 11 11.340 11.479 -3.621 91 H ALA 12 HN ALA 12 2.902 9.871 -7.506 92 HA ALA 12 HA ALA 12 1.698 12.291 -6.818 93 HB1 ALA 12 HB1 ALA 12 -0.417 11.066 -7.280 94 HB2 ALA 12 HB2 ALA 12 0.834 10.738 -8.485 95 HB3 ALA 12 HB3 ALA 12 0.448 9.541 -7.220 96 H ILE 13 HN ILE 13 1.533 9.164 -5.013 97 HA ILE 13 HA ILE 13 -0.032 10.123 -2.859 98 HB ILE 13 HB ILE 13 1.919 7.831 -2.903 99 HG12 ILE 13 HG12 ILE 13 -1.047 7.410 -3.032 100 HG13 ILE 13 HG13 ILE 13 -0.329 8.059 -4.508 101 HG21 ILE 13 HG21 ILE 13 -0.123 8.823 -0.918 102 HG22 ILE 13 HG22 ILE 13 0.112 7.099 -1.099 103 HG23 ILE 13 HG23 ILE 13 1.477 8.108 -0.610 104 HD11 ILE 13 HD11 ILE 13 0.546 5.558 -3.097 105 HD12 ILE 13 HD12 ILE 13 -0.307 5.696 -4.655 106 HD13 ILE 13 HD13 ILE 13 1.359 6.306 -4.490 107 H LEU 14 HN LEU 14 3.512 9.799 -3.438 108 HA LEU 14 HA LEU 14 4.359 10.449 -0.787 109 HB2 LEU 14 HB2 LEU 14 5.838 10.806 -3.425 110 HB3 LEU 14 HB3 LEU 14 6.565 11.037 -1.844 111 HG LEU 14 HG LEU 14 5.445 8.407 -2.888 112 HD11 LEU 14 HD11 LEU 14 7.801 7.670 -2.863 113 HD12 LEU 14 HD12 LEU 14 8.309 9.307 -2.376 114 HD13 LEU 14 HD13 LEU 14 7.564 9.021 -3.961 115 HD21 LEU 14 HD21 LEU 14 6.494 7.446 -0.850 116 HD22 LEU 14 HD22 LEU 14 5.100 8.467 -0.497 117 HD23 LEU 14 HD23 LEU 14 6.743 9.094 -0.235 118 H LYS 15 HN LYS 15 3.800 12.599 -3.623 119 HA LYS 15 HA LYS 15 4.347 14.965 -2.022 120 HB2 LYS 15 HB2 LYS 15 2.783 14.624 -4.625 121 HB3 LYS 15 HB3 LYS 15 3.261 16.163 -3.898 122 HG2 LYS 15 HG2 LYS 15 5.184 14.037 -4.947 123 HG3 LYS 15 HG3 LYS 15 4.748 15.554 -5.737 124 HD2 LYS 15 HD2 LYS 15 5.636 16.788 -3.749 125 HD3 LYS 15 HD3 LYS 15 6.221 15.234 -3.104 126 HE2 LYS 15 HE2 LYS 15 7.767 14.935 -4.878 127 HE3 LYS 15 HE3 LYS 15 7.028 16.210 -5.864 128 HZ1 LYS 15 HZ1 LYS 15 8.132 17.798 -4.762 129 HZ2 LYS 15 HZ2 LYS 15 9.165 16.602 -4.282 130 HZ3 LYS 15 HZ3 LYS 15 7.935 17.119 -3.299 131 H ASP 16 HN ASP 16 1.085 14.141 -3.387 132 HA ASP 16 HA ASP 16 -0.230 14.083 -0.922 133 HB2 ASP 16 HB2 ASP 16 0.802 16.645 -1.111 134 HB3 ASP 16 HB3 ASP 16 -0.739 16.886 -1.869 135 H GLU 17 HN GLU 17 -0.435 13.647 -4.203 136 HA GLU 17 HA GLU 17 -2.686 15.010 -5.023 137 HB2 GLU 17 HB2 GLU 17 -0.602 13.974 -6.187 138 HB3 GLU 17 HB3 GLU 17 -1.446 12.430 -6.014 139 HG2 GLU 17 HG2 GLU 17 -3.378 13.402 -7.224 140 HG3 GLU 17 HG3 GLU 17 -2.448 14.913 -7.353 141 H LEU 18 HN LEU 18 -2.151 11.802 -3.690 142 HA LEU 18 HA LEU 18 -4.940 10.894 -3.981 143 HB2 LEU 18 HB2 LEU 18 -2.379 9.835 -2.803 144 HB3 LEU 18 HB3 LEU 18 -3.884 9.278 -2.123 145 HG LEU 18 HG LEU 18 -3.026 7.772 -3.678 146 HD11 LEU 18 HD11 LEU 18 -5.411 7.970 -3.263 147 HD12 LEU 18 HD12 LEU 18 -4.956 7.051 -4.669 148 HD13 LEU 18 HD13 LEU 18 -5.582 8.721 -4.871 149 HD21 LEU 18 HD21 LEU 18 -1.933 9.403 -5.279 150 HD22 LEU 18 HD22 LEU 18 -3.536 9.818 -5.886 151 HD23 LEU 18 HD23 LEU 18 -2.914 8.183 -6.114 152 H SER 19 HN SER 19 -5.887 10.160 -1.872 153 HA SER 19 HA SER 19 -5.605 12.250 0.268 154 HB2 SER 19 HB2 SER 19 -7.790 12.240 -1.244 155 HB3 SER 19 HB3 SER 19 -8.282 10.934 -0.134 156 HG SER 19 HG SER 19 -7.495 13.631 0.469 157 H ASP 20 HN ASP 20 -7.053 11.069 2.323 158 HA ASP 20 HA ASP 20 -5.136 9.025 3.094 159 HB2 ASP 20 HB2 ASP 20 -7.708 9.612 4.596 160 HB3 ASP 20 HB3 ASP 20 -6.273 8.820 5.167 161 H ALA 21 HN ALA 21 -8.682 8.979 2.642 162 HA ALA 21 HA ALA 21 -8.997 6.153 2.669 163 HB1 ALA 21 HB1 ALA 21 -11.169 6.672 1.597 164 HB2 ALA 21 HB2 ALA 21 -10.851 7.747 2.985 165 HB3 ALA 21 HB3 ALA 21 -10.650 8.344 1.322 166 H GLU 22 HN GLU 22 -8.501 8.418 -0.053 167 HA GLU 22 HA GLU 22 -8.883 6.502 -2.128 168 HB2 GLU 22 HB2 GLU 22 -7.220 9.049 -2.122 169 HB3 GLU 22 HB3 GLU 22 -7.771 8.171 -3.566 170 HG2 GLU 22 HG2 GLU 22 -10.103 8.583 -2.948 171 HG3 GLU 22 HG3 GLU 22 -9.598 9.471 -1.508 172 H ALA 23 HN ALA 23 -5.964 7.514 -0.283 173 HA ALA 23 HA ALA 23 -4.230 5.910 -1.985 174 HB1 ALA 23 HB1 ALA 23 -2.470 6.554 -0.624 175 HB2 ALA 23 HB2 ALA 23 -3.487 7.959 -0.622 176 HB3 ALA 23 HB3 ALA 23 -3.538 6.908 0.790 177 H ASN 24 HN ASN 24 -6.242 5.253 0.798 178 HA ASN 24 HA ASN 24 -5.021 2.682 1.460 179 HB2 ASN 24 HB2 ASN 24 -7.964 3.459 1.739 180 HB3 ASN 24 HB3 ASN 24 -7.163 2.017 2.299 181 HD21 ASN 24 HD21 ASN 24 -8.719 4.043 3.857 182 HD22 ASN 24 HD22 ASN 24 -7.613 4.393 5.151 183 H ALA 25 HN ALA 25 -7.659 3.797 -0.739 184 HA ALA 25 HA ALA 25 -8.501 1.360 -1.670 185 HB1 ALA 25 HB1 ALA 25 -8.269 3.814 -3.453 186 HB2 ALA 25 HB2 ALA 25 -9.324 2.428 -3.681 187 HB3 ALA 25 HB3 ALA 25 -9.587 3.516 -2.286 188 H LEU 26 HN LEU 26 -5.806 3.282 -3.289 189 HA LEU 26 HA LEU 26 -5.292 1.393 -5.256 190 HB2 LEU 26 HB2 LEU 26 -3.225 3.056 -3.778 191 HB3 LEU 26 HB3 LEU 26 -3.090 2.327 -5.380 192 HG LEU 26 HG LEU 26 -4.991 4.580 -4.657 193 HD11 LEU 26 HD11 LEU 26 -2.336 4.493 -6.155 194 HD12 LEU 26 HD12 LEU 26 -2.689 5.331 -4.623 195 HD13 LEU 26 HD13 LEU 26 -3.423 5.888 -6.131 196 HD21 LEU 26 HD21 LEU 26 -4.354 3.312 -7.355 197 HD22 LEU 26 HD22 LEU 26 -5.353 4.755 -7.094 198 HD23 LEU 26 HD23 LEU 26 -5.912 3.201 -6.491 199 H VAL 27 HN VAL 27 -4.363 1.144 -1.803 200 HA VAL 27 HA VAL 27 -2.484 -1.051 -2.278 201 HB VAL 27 HB VAL 27 -3.882 -0.117 0.270 202 HG11 VAL 27 HG11 VAL 27 -2.077 -1.407 1.429 203 HG12 VAL 27 HG12 VAL 27 -3.213 -2.430 0.554 204 HG13 VAL 27 HG13 VAL 27 -1.609 -2.104 -0.130 205 HG21 VAL 27 HG21 VAL 27 -1.044 0.385 -0.740 206 HG22 VAL 27 HG22 VAL 27 -2.343 1.598 -0.622 207 HG23 VAL 27 HG23 VAL 27 -1.694 0.867 0.843 208 H TRP 28 HN TRP 28 -5.922 -0.681 -1.247 209 HA TRP 28 HA TRP 28 -6.480 -3.385 -0.859 210 HB2 TRP 28 HB2 TRP 28 -8.398 -1.257 -1.868 211 HB3 TRP 28 HB3 TRP 28 -8.814 -2.736 -1.027 212 HD1 TRP 28 HD1 TRP 28 -6.224 -2.036 1.139 213 HE1 TRP 28 HE1 TRP 28 -6.944 -0.570 3.158 214 HE3 TRP 28 HE3 TRP 28 -10.535 0.020 -0.758 215 HZ2 TRP 28 HZ2 TRP 28 -9.148 0.931 3.925 216 HZ3 TRP 28 HZ3 TRP 28 -11.943 1.462 0.687 217 HH2 TRP 28 HH2 TRP 28 -11.284 1.878 3.058 218 H GLN 29 HN GLN 29 -6.882 -1.467 -3.887 219 HA GLN 29 HA GLN 29 -8.047 -3.577 -5.386 220 HB2 GLN 29 HB2 GLN 29 -7.116 -2.368 -7.413 221 HB3 GLN 29 HB3 GLN 29 -8.170 -1.426 -6.355 222 HG2 GLN 29 HG2 GLN 29 -6.256 -0.325 -5.486 223 HG3 GLN 29 HG3 GLN 29 -5.130 -1.373 -6.326 224 HE21 GLN 29 HE21 GLN 29 -7.799 -0.461 -8.407 225 HE22 GLN 29 HE22 GLN 29 -6.869 0.817 -9.183 226 H ALA 30 HN ALA 30 -4.634 -2.903 -4.744 227 HA ALA 30 HA ALA 30 -3.632 -4.915 -6.575 228 HB1 ALA 30 HB1 ALA 30 -1.480 -4.542 -5.313 229 HB2 ALA 30 HB2 ALA 30 -2.207 -3.060 -5.958 230 HB3 ALA 30 HB3 ALA 30 -2.359 -3.459 -4.221 231 H LEU 31 HN LEU 31 -4.377 -4.988 -3.029 232 HA LEU 31 HA LEU 31 -3.394 -7.710 -2.778 233 HB2 LEU 31 HB2 LEU 31 -5.378 -6.085 -1.146 234 HB3 LEU 31 HB3 LEU 31 -5.231 -7.814 -0.930 235 HG LEU 31 HG LEU 31 -3.883 -6.934 0.752 236 HD11 LEU 31 HD11 LEU 31 -1.739 -7.769 0.400 237 HD12 LEU 31 HD12 LEU 31 -1.872 -7.637 -1.360 238 HD13 LEU 31 HD13 LEU 31 -2.861 -8.814 -0.464 239 HD21 LEU 31 HD21 LEU 31 -3.812 -4.714 0.201 240 HD22 LEU 31 HD22 LEU 31 -2.880 -4.985 -1.288 241 HD23 LEU 31 HD23 LEU 31 -2.144 -5.227 0.294 242 H GLY 32 HN GLY 32 -6.432 -6.265 -3.794 243 HA2 GLY 32 HA2 GLY 32 -7.329 -7.476 -5.773 244 HA3 GLY 32 HA1 GLY 32 -7.282 -8.950 -4.814 245 H TYR 33 HN TYR 33 -8.258 -6.091 -2.981 246 HA TYR 33 HA TYR 33 -10.511 -7.553 -2.144 247 HB2 TYR 33 HB2 TYR 33 -9.721 -4.678 -1.725 248 HB3 TYR 33 HB3 TYR 33 -11.223 -5.336 -1.097 249 HD1 TYR 33 HD1 TYR 33 -11.290 -7.121 0.611 250 HD2 TYR 33 HD2 TYR 33 -7.558 -5.422 -0.726 251 HE1 TYR 33 HE1 TYR 33 -10.147 -8.208 2.480 252 HE2 TYR 33 HE2 TYR 33 -6.380 -6.535 1.167 253 HH TYR 33 HH TYR 33 -8.075 -8.395 3.646 254 H VAL 34 HN VAL 34 -10.499 -4.749 -4.403 255 HA VAL 34 HA VAL 34 -12.109 -3.659 -5.404 256 HB VAL 34 HB VAL 34 -11.462 -4.987 -7.120 257 HG11 VAL 34 HG11 VAL 34 -11.397 -7.233 -6.224 258 HG12 VAL 34 HG12 VAL 34 -13.165 -7.264 -6.101 259 HG13 VAL 34 HG13 VAL 34 -12.378 -7.231 -7.692 260 HG21 VAL 34 HG21 VAL 34 -14.463 -5.288 -7.059 261 HG22 VAL 34 HG22 VAL 34 -13.591 -3.784 -7.444 262 HG23 VAL 34 HG23 VAL 34 -13.437 -5.214 -8.496 263 H TRP 35 HN TRP 35 -13.683 -2.555 -4.496 264 HA TRP 35 HA TRP 35 -15.671 -3.665 -2.812 265 HB2 TRP 35 HB2 TRP 35 -15.210 -1.296 -2.790 266 HB3 TRP 35 HB3 TRP 35 -15.740 -1.124 -4.473 267 HD1 TRP 35 HD1 TRP 35 -18.219 -0.562 -4.836 268 HE1 TRP 35 HE1 TRP 35 -20.318 -0.458 -3.421 269 HE3 TRP 35 HE3 TRP 35 -16.415 -2.682 -0.559 270 HZ2 TRP 35 HZ2 TRP 35 -21.203 -1.458 -0.857 271 HZ3 TRP 35 HZ3 TRP 35 -17.910 -3.085 1.379 272 HH2 TRP 35 HH2 TRP 35 -20.316 -2.457 1.242 273 H ASP 36 HN ASP 36 -17.647 -4.449 -3.117 274 HA ASP 36 HA ASP 36 -18.483 -5.112 -5.860 275 HB2 ASP 36 HB2 ASP 36 -17.654 -6.835 -3.893 276 HB3 ASP 36 HB3 ASP 36 -19.327 -6.803 -3.511 277 H GLU 37 HN GLU 37 -19.481 -3.001 -5.806 278 HA GLU 37 HA GLU 37 -21.484 -2.145 -4.081 279 HB2 GLU 37 HB2 GLU 37 -20.471 -0.843 -5.924 280 HB3 GLU 37 HB3 GLU 37 -21.276 -1.882 -7.098 281 HG2 GLU 37 HG2 GLU 37 -23.502 -1.090 -6.094 282 HG3 GLU 37 HG3 GLU 37 -22.568 0.070 -5.145 283 H ALA 38 HN ALA 38 -21.645 -4.580 -6.611 284 HA ALA 38 HA ALA 38 -24.513 -4.863 -6.713 285 HB1 ALA 38 HB1 ALA 38 -22.874 -5.263 -8.571 286 HB2 ALA 38 HB2 ALA 38 -22.268 -6.673 -7.638 287 HB3 ALA 38 HB3 ALA 38 -23.945 -6.648 -8.258 288 H GLN 39 HN GLN 39 -22.229 -5.925 -4.417 289 HA GLN 39 HA GLN 39 -24.214 -7.850 -3.375 290 HB2 GLN 39 HB2 GLN 39 -21.196 -8.254 -3.279 291 HB3 GLN 39 HB3 GLN 39 -22.410 -9.257 -2.512 292 HG2 GLN 39 HG2 GLN 39 -23.429 -9.661 -4.799 293 HG3 GLN 39 HG3 GLN 39 -22.010 -8.861 -5.460 294 HE21 GLN 39 HE21 GLN 39 -20.221 -10.080 -5.723 295 HE22 GLN 39 HE22 GLN 39 -20.030 -11.769 -5.316 296 H SER 40 HN SER 40 -22.691 -4.959 -2.958 297 HA SER 40 HA SER 40 -22.122 -3.556 -1.480 298 HB2 SER 40 HB2 SER 40 -23.548 -2.982 0.349 299 HB3 SER 40 HB3 SER 40 -24.399 -3.165 -1.167 300 HG SER 40 HG SER 40 -25.179 -5.174 -0.447 301 H CYS 41 HN CYS 41 -20.459 -5.609 -1.454 302 HA CYS 41 HA CYS 41 -19.398 -5.438 1.278 303 HB2 CYS 41 HB2 CYS 41 -19.804 -8.060 -0.234 304 HB3 CYS 41 HB3 CYS 41 -18.737 -7.881 1.173 305 HG CYS 41 HG CYS 41 -20.630 -6.812 2.699 306 H TRP 42 HN TRP 42 -17.049 -6.313 1.188 307 HA TRP 42 HA TRP 42 -15.680 -5.426 -1.281 308 HB2 TRP 42 HB2 TRP 42 -14.719 -6.667 1.340 309 HB3 TRP 42 HB3 TRP 42 -13.666 -6.156 0.019 310 HD1 TRP 42 HD1 TRP 42 -15.807 -4.766 2.852 311 HE1 TRP 42 HE1 TRP 42 -15.616 -2.246 3.002 312 HE3 TRP 42 HE3 TRP 42 -13.203 -3.962 -1.464 313 HZ2 TRP 42 HZ2 TRP 42 -14.490 -0.083 1.380 314 HZ3 TRP 42 HZ3 TRP 42 -12.589 -1.652 -2.157 315 HH2 TRP 42 HH2 TRP 42 -13.268 0.289 -0.771 316 H LYS 43 HN LYS 43 -14.653 -7.011 -2.734 317 HA LYS 43 HA LYS 43 -15.689 -9.762 -2.423 318 HB2 LYS 43 HB2 LYS 43 -13.852 -8.576 -4.536 319 HB3 LYS 43 HB3 LYS 43 -14.365 -10.271 -4.432 320 HG2 LYS 43 HG2 LYS 43 -16.753 -9.250 -4.305 321 HG3 LYS 43 HG3 LYS 43 -16.004 -7.812 -4.985 322 HD2 LYS 43 HD2 LYS 43 -15.813 -10.572 -6.272 323 HD3 LYS 43 HD3 LYS 43 -17.126 -9.431 -6.598 324 HE2 LYS 43 HE2 LYS 43 -15.455 -7.698 -7.191 325 HE3 LYS 43 HE3 LYS 43 -14.181 -8.933 -7.063 326 HZ1 LYS 43 HZ1 LYS 43 -15.022 -10.022 -8.912 327 HZ2 LYS 43 HZ2 LYS 43 -15.390 -8.445 -9.320 328 HZ3 LYS 43 HZ3 LYS 43 -16.542 -9.446 -8.736 329 H THR 44 HN THR 44 -14.315 -11.496 -2.088 330 HA THR 44 HA THR 44 -11.486 -10.880 -1.442 331 HB THR 44 HB THR 44 -12.046 -12.905 0.345 332 HG1 THR 44 HG1 THR 44 -14.206 -12.821 0.340 333 HG21 THR 44 HG21 THR 44 -12.258 -9.897 0.833 334 HG22 THR 44 HG22 THR 44 -10.738 -10.821 0.758 335 HG23 THR 44 HG23 THR 44 -11.901 -11.137 2.053 336 H ASP 45 HN ASP 45 -13.068 -12.033 -3.782 337 HA ASP 45 HA ASP 45 -12.360 -14.832 -4.066 338 HB2 ASP 45 HB2 ASP 45 -13.359 -12.637 -5.915 339 HB3 ASP 45 HB3 ASP 45 -12.752 -14.165 -6.562 340 H LEU 46 HN LEU 46 -11.080 -11.667 -5.182 341 HA LEU 46 HA LEU 46 -8.781 -12.988 -6.449 342 HB2 LEU 46 HB2 LEU 46 -9.583 -10.070 -6.270 343 HB3 LEU 46 HB3 LEU 46 -8.157 -10.647 -7.103 344 HG LEU 46 HG LEU 46 -11.051 -11.154 -7.866 345 HD11 LEU 46 HD11 LEU 46 -10.412 -9.825 -9.847 346 HD12 LEU 46 HD12 LEU 46 -8.750 -9.656 -9.208 347 HD13 LEU 46 HD13 LEU 46 -10.117 -8.913 -8.352 348 HD21 LEU 46 HD21 LEU 46 -8.486 -12.245 -9.119 349 HD22 LEU 46 HD22 LEU 46 -10.087 -12.257 -9.908 350 HD23 LEU 46 HD23 LEU 46 -9.835 -13.176 -8.427 351 H VAL 47 HN VAL 47 -9.446 -12.059 -3.296 352 HA VAL 47 HA VAL 47 -6.816 -10.895 -2.716 353 HB VAL 47 HB VAL 47 -9.113 -11.739 -0.907 354 HG11 VAL 47 HG11 VAL 47 -7.919 -10.388 0.848 355 HG12 VAL 47 HG12 VAL 47 -7.025 -11.825 0.373 356 HG13 VAL 47 HG13 VAL 47 -6.519 -10.241 -0.238 357 HG21 VAL 47 HG21 VAL 47 -8.144 -8.974 -1.753 358 HG22 VAL 47 HG22 VAL 47 -9.634 -9.766 -2.324 359 HG23 VAL 47 HG23 VAL 47 -9.474 -9.314 -0.629 360 H ALA 48 HN ALA 48 -5.196 -12.033 -1.649 361 HA ALA 48 HA ALA 48 -4.908 -14.817 -2.259 362 HB1 ALA 48 HB1 ALA 48 -3.024 -13.238 -2.159 363 HB2 ALA 48 HB2 ALA 48 -3.343 -12.923 -0.436 364 HB3 ALA 48 HB3 ALA 48 -2.782 -14.515 -0.966 365 HA PRO 49 HA PRO 49 -6.743 -16.830 1.188 366 HB2 PRO 49 HB2 PRO 49 -4.914 -18.759 1.949 367 HB3 PRO 49 HB3 PRO 49 -5.963 -18.860 0.507 368 HG2 PRO 49 HG2 PRO 49 -3.079 -17.999 0.632 369 HG3 PRO 49 HG3 PRO 49 -3.880 -19.077 -0.558 370 HD2 PRO 49 HD2 PRO 49 -3.377 -16.483 -1.083 371 HD3 PRO 49 HD3 PRO 49 -4.871 -17.226 -1.667 372 H GLU 50 HN GLU 50 -3.285 -16.055 1.870 373 HA GLU 50 HA GLU 50 -3.630 -16.059 4.664 374 HB2 GLU 50 HB2 GLU 50 -1.457 -15.150 4.801 375 HB3 GLU 50 HB3 GLU 50 -1.486 -16.308 3.467 376 HG2 GLU 50 HG2 GLU 50 -1.740 -14.327 1.883 377 HG3 GLU 50 HG3 GLU 50 -1.470 -13.264 3.271 378 H TRP 51 HN TRP 51 -4.649 -13.633 2.415 379 HA TRP 51 HA TRP 51 -4.809 -11.559 4.543 380 HB2 TRP 51 HB2 TRP 51 -5.136 -11.464 1.551 381 HB3 TRP 51 HB3 TRP 51 -5.809 -10.205 2.595 382 HD1 TRP 51 HD1 TRP 51 -2.518 -11.651 1.408 383 HE1 TRP 51 HE1 TRP 51 -0.581 -10.140 2.013 384 HE3 TRP 51 HE3 TRP 51 -5.114 -8.036 3.882 385 HZ2 TRP 51 HZ2 TRP 51 -0.154 -7.687 3.729 386 HZ3 TRP 51 HZ3 TRP 51 -3.956 -6.207 5.062 387 HH2 TRP 51 HH2 TRP 51 -1.487 -6.054 4.979 388 H ARG 52 HN ARG 52 -7.014 -13.223 2.178 389 HA ARG 52 HA ARG 52 -9.334 -12.092 3.447 390 HB2 ARG 52 HB2 ARG 52 -10.642 -13.461 2.042 391 HB3 ARG 52 HB3 ARG 52 -9.261 -12.901 1.108 392 HG2 ARG 52 HG2 ARG 52 -8.182 -15.184 1.564 393 HG3 ARG 52 HG3 ARG 52 -9.742 -15.686 2.259 394 HD2 ARG 52 HD2 ARG 52 -10.839 -14.909 0.125 395 HD3 ARG 52 HD3 ARG 52 -9.214 -14.666 -0.564 396 HE ARG 52 HE ARG 52 -9.367 -17.331 0.395 397 HH11 ARG 52 HH11 ARG 52 -10.657 -15.307 -2.216 398 HH12 ARG 52 HH12 ARG 52 -11.039 -16.693 -3.218 399 HH21 ARG 52 HH21 ARG 52 -10.188 -19.071 -0.797 400 HH22 ARG 52 HH22 ARG 52 -11.153 -18.814 -2.235 401 H GLN 53 HN GLN 53 -7.371 -14.660 4.457 402 HA GLN 53 HA GLN 53 -8.817 -16.448 5.861 403 HB2 GLN 53 HB2 GLN 53 -6.167 -15.199 5.954 404 HB3 GLN 53 HB3 GLN 53 -6.753 -15.403 7.597 405 HG2 GLN 53 HG2 GLN 53 -7.241 -17.734 7.172 406 HG3 GLN 53 HG3 GLN 53 -6.622 -17.584 5.497 407 HE21 GLN 53 HE21 GLN 53 -4.395 -18.335 5.365 408 HE22 GLN 53 HE22 GLN 53 -3.264 -18.103 6.701 409 H ASP 54 HN ASP 54 -8.277 -13.059 6.826 410 HA ASP 54 HA ASP 54 -10.091 -13.453 9.143 411 HB2 ASP 54 HB2 ASP 54 -7.216 -12.493 9.170 412 HB3 ASP 54 HB3 ASP 54 -8.346 -12.014 10.434 413 H TYR 55 HN TYR 55 -9.927 -11.891 6.370 414 HA TYR 55 HA TYR 55 -10.223 -9.097 7.368 415 HB2 TYR 55 HB2 TYR 55 -8.956 -10.163 4.871 416 HB3 TYR 55 HB3 TYR 55 -9.687 -8.573 4.914 417 HD1 TYR 55 HD2 TYR 55 -7.378 -10.536 7.201 418 HD2 TYR 55 HD1 TYR 55 -8.308 -6.761 5.304 419 HE1 TYR 55 HE2 TYR 55 -5.451 -9.523 8.282 420 HE2 TYR 55 HE1 TYR 55 -6.307 -5.787 6.290 421 HH TYR 55 HH TYR 55 -4.406 -7.328 8.761 422 HA PRO 56 HA PRO 56 -14.367 -9.952 5.431 423 HB2 PRO 56 HB2 PRO 56 -15.777 -8.485 7.322 424 HB3 PRO 56 HB3 PRO 56 -15.500 -10.241 7.404 425 HG2 PRO 56 HG2 PRO 56 -13.994 -8.041 8.800 426 HG3 PRO 56 HG3 PRO 56 -14.528 -9.627 9.461 427 HD2 PRO 56 HD2 PRO 56 -11.980 -9.136 8.634 428 HD3 PRO 56 HD3 PRO 56 -12.712 -10.748 8.458 429 H GLU 57 HN GLU 57 -12.516 -7.230 6.757 430 HA GLU 57 HA GLU 57 -13.731 -5.414 4.741 431 HB2 GLU 57 HB2 GLU 57 -13.152 -4.995 7.704 432 HB3 GLU 57 HB3 GLU 57 -13.242 -3.635 6.586 433 HG2 GLU 57 HG2 GLU 57 -15.487 -4.419 5.829 434 HG3 GLU 57 HG3 GLU 57 -15.425 -5.683 7.074 435 HA PRO 58 HA PRO 58 -9.623 -4.610 3.575 436 HB2 PRO 58 HB2 PRO 58 -9.587 -2.040 2.842 437 HB3 PRO 58 HB3 PRO 58 -10.535 -3.246 1.933 438 HG2 PRO 58 HG2 PRO 58 -11.514 -1.372 4.130 439 HG3 PRO 58 HG3 PRO 58 -12.197 -1.587 2.486 440 HD2 PRO 58 HD2 PRO 58 -13.236 -2.975 4.537 441 HD3 PRO 58 HD3 PRO 58 -12.899 -3.822 2.996 442 HA PRO 59 HA PRO 59 -7.387 -2.802 6.964 443 HB2 PRO 59 HB2 PRO 59 -5.002 -2.144 5.792 444 HB3 PRO 59 HB3 PRO 59 -5.549 -3.807 6.152 445 HG2 PRO 59 HG2 PRO 59 -5.646 -2.389 3.502 446 HG3 PRO 59 HG3 PRO 59 -5.116 -4.065 3.857 447 HD2 PRO 59 HD2 PRO 59 -7.617 -3.454 2.949 448 HD3 PRO 59 HD3 PRO 59 -7.317 -4.808 4.073 449 H ASP 60 HN ASP 60 -8.220 -0.985 7.690 450 HA ASP 60 HA ASP 60 -7.993 1.644 6.401 451 HB2 ASP 60 HB2 ASP 60 -9.830 1.025 8.097 452 HB3 ASP 60 HB3 ASP 60 -8.592 1.118 9.352 453 H PHE 61 HN PHE 61 -5.754 2.026 6.053 454 HA PHE 61 HA PHE 61 -3.811 1.481 8.177 455 HB2 PHE 61 HB2 PHE 61 -3.539 2.988 5.559 456 HB3 PHE 61 HB3 PHE 61 -2.209 2.565 6.624 457 HD1 PHE 61 HD1 PHE 61 -1.389 0.276 6.853 458 HD2 PHE 61 HD2 PHE 61 -4.561 1.274 4.109 459 HE1 PHE 61 HE1 PHE 61 -1.087 -1.899 5.710 460 HE2 PHE 61 HE2 PHE 61 -4.165 -0.838 2.892 461 HZ PHE 61 HZ PHE 61 -2.475 -2.455 3.710 462 H ILE 62 HN ILE 62 -6.145 3.881 8.016 463 HA ILE 62 HA ILE 62 -4.349 6.095 8.759 464 HB ILE 62 HB ILE 62 -7.304 6.362 8.174 465 HG12 ILE 62 HG12 ILE 62 -6.475 5.150 6.248 466 HG13 ILE 62 HG13 ILE 62 -6.945 6.779 5.853 467 HG21 ILE 62 HG21 ILE 62 -6.144 8.264 9.158 468 HG22 ILE 62 HG22 ILE 62 -4.950 8.262 7.840 469 HG23 ILE 62 HG23 ILE 62 -6.659 8.593 7.495 470 HD11 ILE 62 HD11 ILE 62 -4.116 5.708 6.139 471 HD12 ILE 62 HD12 ILE 62 -4.958 6.143 4.643 472 HD13 ILE 62 HD13 ILE 62 -4.531 7.406 5.797 473 H ALA 63 HN ALA 63 -7.427 4.544 9.725 474 HA ALA 63 HA ALA 63 -7.387 5.735 12.393 475 HB1 ALA 63 HB1 ALA 63 -9.079 3.523 11.154 476 HB2 ALA 63 HB2 ALA 63 -9.374 4.308 12.706 477 HB3 ALA 63 HB3 ALA 63 -9.487 5.260 11.202 478 H SER 64 HN SER 64 -5.723 3.031 11.032 479 HA SER 64 HA SER 64 -5.524 1.678 13.659 480 HB2 SER 64 HB2 SER 64 -7.356 1.007 11.665 481 HB3 SER 64 HB3 SER 64 -6.001 -0.062 11.337 482 HG SER 64 HG SER 64 -7.713 0.144 13.532 483 H ARG 65 HN ARG 65 -3.907 -0.268 13.484 484 HA ARG 65 HA ARG 65 -2.081 0.013 11.256 485 HB2 ARG 65 HB2 ARG 65 -0.024 0.113 12.579 486 HB3 ARG 65 HB3 ARG 65 -1.045 1.502 12.815 487 HG2 ARG 65 HG2 ARG 65 -0.326 1.197 14.920 488 HG3 ARG 65 HG3 ARG 65 -1.866 0.360 15.018 489 HD2 ARG 65 HD2 ARG 65 -0.777 -1.792 14.950 490 HD3 ARG 65 HD3 ARG 65 0.756 -1.069 14.425 491 HE ARG 65 HE ARG 65 -0.447 -0.438 17.074 492 HH11 ARG 65 HH11 ARG 65 2.118 -2.199 15.254 493 HH12 ARG 65 HH12 ARG 65 2.948 -2.679 16.680 494 HH21 ARG 65 HH21 ARG 65 0.789 -1.000 18.942 495 HH22 ARG 65 HH22 ARG 65 2.242 -1.923 18.808 496 HA PRO 66 HA PRO 66 -2.538 -4.343 12.931 497 HB2 PRO 66 HB2 PRO 66 -4.640 -5.437 11.603 498 HB3 PRO 66 HB3 PRO 66 -4.868 -4.419 13.046 499 HG2 PRO 66 HG2 PRO 66 -5.131 -3.608 10.125 500 HG3 PRO 66 HG3 PRO 66 -6.243 -3.265 11.467 501 HD2 PRO 66 HD2 PRO 66 -4.368 -1.441 10.700 502 HD3 PRO 66 HD3 PRO 66 -4.897 -1.667 12.386 503 H ALA 67 HN ALA 67 -3.417 -3.483 9.587 504 HA ALA 67 HA ALA 67 -2.227 -5.766 8.371 505 HB1 ALA 67 HB1 ALA 67 -2.932 -3.073 7.146 506 HB2 ALA 67 HB2 ALA 67 -2.668 -4.583 6.271 507 HB3 ALA 67 HB3 ALA 67 -4.029 -4.453 7.401 508 H THR 68 HN THR 68 -0.858 -2.746 9.412 509 HA THR 68 HA THR 68 1.446 -2.497 7.853 510 HB THR 68 HB THR 68 0.957 -2.011 10.822 511 HG1 THR 68 HG1 THR 68 -0.395 -0.921 9.258 512 HG21 THR 68 HG21 THR 68 3.174 -1.018 8.991 513 HG22 THR 68 HG22 THR 68 3.324 -1.908 10.524 514 HG23 THR 68 HG23 THR 68 2.743 -0.241 10.533 515 H VAL 69 HN VAL 69 0.872 -4.833 10.575 516 HA VAL 69 HA VAL 69 3.538 -5.898 10.574 517 HB VAL 69 HB VAL 69 0.888 -7.230 11.315 518 HG11 VAL 69 HG11 VAL 69 2.193 -8.706 12.740 519 HG12 VAL 69 HG12 VAL 69 2.811 -8.841 11.097 520 HG13 VAL 69 HG13 VAL 69 3.703 -7.879 12.297 521 HG21 VAL 69 HG21 VAL 69 1.369 -6.537 13.637 522 HG22 VAL 69 HG22 VAL 69 2.782 -5.607 13.071 523 HG23 VAL 69 HG23 VAL 69 1.133 -5.146 12.599 524 H LYS 70 HN LYS 70 0.538 -6.698 8.876 525 HA LYS 70 HA LYS 70 1.424 -9.164 7.735 526 HB2 LYS 70 HB2 LYS 70 -0.912 -8.187 8.410 527 HB3 LYS 70 HB3 LYS 70 -0.929 -7.479 6.812 528 HG2 LYS 70 HG2 LYS 70 -0.816 -9.751 5.819 529 HG3 LYS 70 HG3 LYS 70 -0.565 -10.437 7.433 530 HD2 LYS 70 HD2 LYS 70 -2.811 -9.523 8.150 531 HD3 LYS 70 HD3 LYS 70 -3.037 -8.904 6.518 532 HE2 LYS 70 HE2 LYS 70 -4.307 -10.828 6.530 533 HE3 LYS 70 HE3 LYS 70 -2.833 -11.299 5.672 534 HZ1 LYS 70 HZ1 LYS 70 -3.469 -11.917 8.517 535 HZ2 LYS 70 HZ2 LYS 70 -2.101 -12.385 7.725 536 HZ3 LYS 70 HZ3 LYS 70 -3.553 -12.945 7.234 537 H LEU 71 HN LEU 71 1.289 -5.852 6.604 538 HA LEU 71 HA LEU 71 2.247 -6.056 3.943 539 HB2 LEU 71 HB2 LEU 71 2.049 -4.000 6.055 540 HB3 LEU 71 HB3 LEU 71 3.485 -3.783 5.059 541 HG LEU 71 HG LEU 71 2.065 -3.784 3.027 542 HD11 LEU 71 HD11 LEU 71 -0.239 -3.800 5.026 543 HD12 LEU 71 HD12 LEU 71 0.179 -5.082 3.896 544 HD13 LEU 71 HD13 LEU 71 -0.366 -3.527 3.265 545 HD21 LEU 71 HD21 LEU 71 2.693 -1.656 4.079 546 HD22 LEU 71 HD22 LEU 71 1.281 -1.754 5.157 547 HD23 LEU 71 HD23 LEU 71 1.043 -1.565 3.411 548 H THR 72 HN THR 72 4.122 -5.859 7.073 549 HA THR 72 HA THR 72 6.661 -5.768 5.878 550 HB THR 72 HB THR 72 5.714 -6.833 8.561 551 HG1 THR 72 HG1 THR 72 6.803 -4.528 8.850 552 HG21 THR 72 HG21 THR 72 7.978 -6.300 9.379 553 HG22 THR 72 HG22 THR 72 8.500 -6.045 7.689 554 HG23 THR 72 HG23 THR 72 7.908 -7.642 8.231 555 H ARG 73 HN ARG 73 4.559 -8.475 6.632 556 HA ARG 73 HA ARG 73 6.340 -10.612 6.228 557 HB2 ARG 73 HB2 ARG 73 3.498 -10.590 5.265 558 HB3 ARG 73 HB3 ARG 73 4.464 -11.986 5.612 559 HG2 ARG 73 HG2 ARG 73 3.737 -9.964 7.783 560 HG3 ARG 73 HG3 ARG 73 2.646 -11.203 7.225 561 HD2 ARG 73 HD2 ARG 73 3.583 -12.020 9.163 562 HD3 ARG 73 HD3 ARG 73 4.287 -12.963 7.838 563 HE ARG 73 HE ARG 73 5.666 -10.672 9.196 564 HH11 ARG 73 HH11 ARG 73 5.908 -14.060 8.049 565 HH12 ARG 73 HH12 ARG 73 7.207 -14.443 9.110 566 HH21 ARG 73 HH21 ARG 73 7.411 -11.172 10.520 567 HH22 ARG 73 HH22 ARG 73 8.154 -12.732 10.466 568 H SER 74 HN SER 74 4.860 -8.458 3.869 569 HA SER 74 HA SER 74 6.083 -9.871 1.558 570 HB2 SER 74 HB2 SER 74 3.705 -7.993 1.825 571 HB3 SER 74 HB3 SER 74 4.482 -8.330 0.260 572 HG SER 74 HG SER 74 3.766 -10.242 0.238 573 H ILE 75 HN ILE 75 7.359 -7.901 3.616 574 HA ILE 75 HA ILE 75 8.724 -6.344 1.476 575 HB ILE 75 HB ILE 75 8.199 -5.375 4.290 576 HG12 ILE 75 HG12 ILE 75 7.349 -3.998 1.702 577 HG13 ILE 75 HG13 ILE 75 6.292 -5.195 2.440 578 HG21 ILE 75 HG21 ILE 75 9.409 -3.322 3.536 579 HG22 ILE 75 HG22 ILE 75 10.436 -4.731 3.442 580 HG23 ILE 75 HG23 ILE 75 9.725 -4.102 1.963 581 HD11 ILE 75 HD11 ILE 75 7.322 -2.756 3.896 582 HD12 ILE 75 HD12 ILE 75 5.716 -2.930 3.182 583 HD13 ILE 75 HD13 ILE 75 6.198 -3.977 4.527 584 HA PRO 76 HA PRO 76 11.231 -9.657 3.518 585 HB2 PRO 76 HB2 PRO 76 12.494 -10.626 1.318 586 HB3 PRO 76 HB3 PRO 76 10.740 -10.898 1.526 587 HG2 PRO 76 HG2 PRO 76 11.945 -8.664 -0.040 588 HG3 PRO 76 HG3 PRO 76 10.793 -9.937 -0.600 589 HD2 PRO 76 HD2 PRO 76 9.787 -7.611 0.292 590 HD3 PRO 76 HD3 PRO 76 9.067 -9.138 0.859 591 H ALA 77 HN ALA 77 13.811 -10.038 3.184 592 HA ALA 77 HA ALA 77 14.938 -7.702 4.327 593 HB1 ALA 77 HB1 ALA 77 15.718 -9.969 4.852 594 HB2 ALA 77 HB2 ALA 77 16.311 -10.179 3.193 595 HB3 ALA 77 HB3 ALA 77 17.058 -8.969 4.251 596 HA PRO 78 HA PRO 78 17.095 -6.778 0.173 597 HB2 PRO 78 HB2 PRO 78 15.948 -7.602 -2.195 598 HB3 PRO 78 HB3 PRO 78 17.196 -8.530 -1.311 599 HG2 PRO 78 HG2 PRO 78 14.175 -8.868 -1.145 600 HG3 PRO 78 HG3 PRO 78 15.407 -10.146 -1.388 601 HD2 PRO 78 HD2 PRO 78 14.452 -9.757 0.987 602 HD3 PRO 78 HD3 PRO 78 16.205 -9.987 0.800 603 H TYR 79 HN TYR 79 13.632 -6.539 0.837 604 HA TYR 79 HA TYR 79 13.460 -4.351 -1.179 605 HB2 TYR 79 HB2 TYR 79 11.265 -6.074 -0.068 606 HB3 TYR 79 HB3 TYR 79 11.067 -4.775 -1.241 607 HD1 TYR 79 HD1 TYR 79 13.859 -5.556 -2.725 608 HD2 TYR 79 HD2 TYR 79 10.227 -7.745 -1.731 609 HE1 TYR 79 HE1 TYR 79 14.394 -7.118 -4.342 610 HE2 TYR 79 HE2 TYR 79 10.690 -9.265 -3.568 611 HH TYR 79 HH TYR 79 12.250 -9.942 -5.216 612 H LYS 80 HN LYS 80 14.325 -4.237 1.808 613 HA LYS 80 HA LYS 80 12.185 -3.000 3.264 614 HB2 LYS 80 HB2 LYS 80 15.200 -2.792 3.738 615 HB3 LYS 80 HB3 LYS 80 13.945 -2.342 4.891 616 HG2 LYS 80 HG2 LYS 80 14.555 -5.147 3.898 617 HG3 LYS 80 HG3 LYS 80 14.820 -4.512 5.512 618 HD2 LYS 80 HD2 LYS 80 12.118 -4.033 5.217 619 HD3 LYS 80 HD3 LYS 80 12.336 -5.415 4.150 620 HE2 LYS 80 HE2 LYS 80 11.864 -6.544 6.016 621 HE3 LYS 80 HE3 LYS 80 13.607 -6.426 6.266 622 HZ1 LYS 80 HZ1 LYS 80 12.317 -5.751 8.251 623 HZ2 LYS 80 HZ2 LYS 80 11.556 -4.596 7.389 624 HZ3 LYS 80 HZ3 LYS 80 13.164 -4.465 7.644 625 H GLN 81 HN GLN 81 14.607 -1.596 1.104 626 HA GLN 81 HA GLN 81 13.452 1.101 1.661 627 HB2 GLN 81 HB2 GLN 81 16.376 0.483 1.109 628 HB3 GLN 81 HB3 GLN 81 15.668 2.035 1.534 629 HG2 GLN 81 HG2 GLN 81 14.964 0.945 3.748 630 HG3 GLN 81 HG3 GLN 81 16.026 -0.399 3.306 631 HE21 GLN 81 HE21 GLN 81 18.312 0.615 2.343 632 HE22 GLN 81 HE22 GLN 81 19.038 1.829 3.378 633 H LEU 82 HN LEU 82 12.426 -0.498 -0.454 634 HA LEU 82 HA LEU 82 13.897 0.056 -2.900 635 HB2 LEU 82 HB2 LEU 82 11.033 -0.801 -2.492 636 HB3 LEU 82 HB3 LEU 82 11.801 -0.532 -4.067 637 HG LEU 82 HG LEU 82 12.402 -2.690 -2.044 638 HD11 LEU 82 HD11 LEU 82 11.594 -2.782 -4.987 639 HD12 LEU 82 HD12 LEU 82 10.550 -3.119 -3.597 640 HD13 LEU 82 HD13 LEU 82 11.910 -4.193 -3.977 641 HD21 LEU 82 HD21 LEU 82 14.157 -3.523 -3.629 642 HD22 LEU 82 HD22 LEU 82 14.606 -2.042 -2.801 643 HD23 LEU 82 HD23 LEU 82 14.062 -1.969 -4.497 644 H LEU 83 HN LEU 83 11.570 1.821 -0.980 645 HA LEU 83 HA LEU 83 10.840 3.909 -2.740 646 HB2 LEU 83 HB2 LEU 83 11.536 3.738 0.201 647 HB3 LEU 83 HB3 LEU 83 11.248 5.315 -0.515 648 HG LEU 83 HG LEU 83 9.202 3.083 -0.759 649 HD11 LEU 83 HD11 LEU 83 9.667 3.467 1.586 650 HD12 LEU 83 HD12 LEU 83 8.094 4.184 1.183 651 HD13 LEU 83 HD13 LEU 83 9.560 5.204 1.394 652 HD21 LEU 83 HD21 LEU 83 7.706 5.157 -0.974 653 HD22 LEU 83 HD22 LEU 83 8.780 4.846 -2.336 654 HD23 LEU 83 HD23 LEU 83 9.177 6.114 -1.162 655 H LYS 84 HN LYS 84 14.007 3.304 -1.203 656 HA LYS 84 HA LYS 84 14.966 5.914 -2.266 657 HB2 LYS 84 HB2 LYS 84 15.211 5.470 0.139 658 HB3 LYS 84 HB3 LYS 84 16.200 4.073 -0.203 659 HG2 LYS 84 HG2 LYS 84 18.050 5.363 -0.514 660 HG3 LYS 84 HG3 LYS 84 17.214 6.416 -1.650 661 HD2 LYS 84 HD2 LYS 84 16.312 7.789 0.074 662 HD3 LYS 84 HD3 LYS 84 16.858 6.706 1.357 663 HE2 LYS 84 HE2 LYS 84 18.743 8.164 -0.565 664 HE3 LYS 84 HE3 LYS 84 18.244 8.800 1.001 665 HZ1 LYS 84 HZ1 LYS 84 19.174 6.327 1.634 666 HZ2 LYS 84 HZ2 LYS 84 19.969 7.745 1.797 667 HZ3 LYS 84 HZ3 LYS 84 20.219 6.844 0.455 668 H GLU 85 HN GLU 85 15.642 2.395 -2.326 669 HA GLU 85 HA GLU 85 17.945 2.453 -3.974 670 HB2 GLU 85 HB2 GLU 85 15.754 0.391 -3.610 671 HB3 GLU 85 HB3 GLU 85 17.180 0.083 -4.560 672 HG2 GLU 85 HG2 GLU 85 18.629 0.395 -2.629 673 HG3 GLU 85 HG3 GLU 85 17.319 1.032 -1.666 674 H GLU 86 HN GLU 86 14.473 2.312 -4.879 675 HA GLU 86 HA GLU 86 15.143 2.472 -7.722 676 HB2 GLU 86 HB2 GLU 86 12.401 2.662 -6.404 677 HB3 GLU 86 HB3 GLU 86 12.763 2.320 -8.094 678 HG2 GLU 86 HG2 GLU 86 13.310 0.515 -5.678 679 HG3 GLU 86 HG3 GLU 86 12.084 0.292 -6.923 680 H LEU 87 HN LEU 87 13.132 4.514 -5.527 681 HA LEU 87 HA LEU 87 13.088 6.582 -7.580 682 HB2 LEU 87 HB2 LEU 87 11.850 6.791 -4.830 683 HB3 LEU 87 HB3 LEU 87 11.385 7.637 -6.267 684 HG LEU 87 HG LEU 87 11.027 4.631 -5.971 685 HD11 LEU 87 HD11 LEU 87 8.646 5.277 -5.407 686 HD12 LEU 87 HD12 LEU 87 9.227 6.938 -5.182 687 HD13 LEU 87 HD13 LEU 87 9.861 5.648 -4.157 688 HD21 LEU 87 HD21 LEU 87 9.780 6.694 -7.828 689 HD22 LEU 87 HD22 LEU 87 9.372 4.968 -7.767 690 HD23 LEU 87 HD23 LEU 87 10.995 5.476 -8.280 691 H GLY 88 HN GLY 88 14.943 6.140 -4.683 692 HA2 GLY 88 HA2 GLY 88 16.374 7.567 -3.549 693 HA3 GLY 88 HA1 GLY 88 16.114 8.768 -4.805 694 H PHE 89 HN PHE 89 13.376 7.426 -2.847 695 HA PHE 89 HA PHE 89 13.032 10.116 -1.583 696 HB2 PHE 89 HB2 PHE 89 11.038 9.073 -2.590 697 HB3 PHE 89 HB3 PHE 89 11.271 7.650 -1.577 698 HD1 PHE 89 HD2 PHE 89 10.566 11.340 -1.441 699 HD2 PHE 89 HD1 PHE 89 10.520 7.607 0.717 700 HE1 PHE 89 HE2 PHE 89 9.358 12.422 0.402 701 HE2 PHE 89 HE1 PHE 89 9.301 8.713 2.583 702 HZ PHE 89 HZ PHE 89 8.657 11.108 2.398 703 H ALA 90 HN ALA 90 13.345 10.410 0.657 704 HA ALA 90 HA ALA 90 13.949 7.986 2.288 705 HB1 ALA 90 HB1 ALA 90 15.463 9.316 3.590 706 HB2 ALA 90 HB2 ALA 90 15.920 9.419 1.875 707 HB3 ALA 90 HB3 ALA 90 15.076 10.772 2.659 708 H GLY 91 HN GLY 91 12.702 11.445 2.681 709 HA2 GLY 91 HA2 GLY 91 10.512 10.424 4.278 710 HA3 GLY 91 HA1 GLY 91 11.802 11.141 5.253 711 H TYR 92 HN TYR 92 9.366 12.156 5.426 712 HA TYR 92 HA TYR 92 8.878 14.378 3.609 713 HB2 TYR 92 HB2 TYR 92 7.609 13.655 6.287 714 HB3 TYR 92 HB3 TYR 92 6.982 14.818 5.128 715 HD1 TYR 92 HD1 TYR 92 6.109 14.046 2.896 716 HD2 TYR 92 HD2 TYR 92 7.197 11.252 6.020 717 HE1 TYR 92 HE1 TYR 92 4.828 12.251 1.763 718 HE2 TYR 92 HE2 TYR 92 5.927 9.501 4.897 719 HH TYR 92 HH TYR 92 3.972 9.431 3.341 720 H SER 93 HN SER 93 9.140 16.585 4.061 721 HA SER 93 HA SER 93 11.088 17.525 5.863 722 HB2 SER 93 HB2 SER 93 8.826 19.176 4.730 723 HB3 SER 93 HB3 SER 93 10.513 19.628 4.942 724 HG SER 93 HG SER 93 10.014 19.250 2.751 725 H ILE 94 HN ILE 94 10.735 18.906 7.683 726 HA ILE 94 HA ILE 94 8.905 18.062 9.605 727 HB ILE 94 HB ILE 94 10.940 19.187 10.167 728 HG12 ILE 94 HG12 ILE 94 10.124 20.749 11.893 729 HG13 ILE 94 HG13 ILE 94 8.524 20.763 11.179 730 HG21 ILE 94 HG21 ILE 94 10.882 20.867 8.250 731 HG22 ILE 94 HG22 ILE 94 9.723 21.803 9.184 732 HG23 ILE 94 HG23 ILE 94 11.345 21.535 9.827 733 HD11 ILE 94 HD11 ILE 94 8.228 18.367 11.697 734 HD12 ILE 94 HD12 ILE 94 9.895 18.284 12.319 735 HD13 ILE 94 HD13 ILE 94 8.670 19.266 13.148 736 H ASN 95 HN ASN 95 8.674 20.858 7.492 737 HA ASN 95 HA ASN 95 6.219 21.867 8.501 738 HB2 ASN 95 HB2 ASN 95 6.357 23.292 6.416 739 HB3 ASN 95 HB3 ASN 95 7.770 23.360 7.458 740 HD21 ASN 95 HD21 ASN 95 6.655 22.560 4.212 741 HD22 ASN 95 HD22 ASN 95 8.262 22.077 3.696 742 H GLU 96 HN GLU 96 6.756 19.085 6.674 743 HA GLU 96 HA GLU 96 3.923 19.010 5.821 744 HB2 GLU 96 HB2 GLU 96 6.359 17.750 4.482 745 HB3 GLU 96 HB3 GLU 96 4.676 17.333 4.111 746 HG2 GLU 96 HG2 GLU 96 4.314 19.850 3.712 747 HG3 GLU 96 HG3 GLU 96 6.072 19.978 3.653 748 H LEU 97 HN LEU 97 6.014 17.946 8.260 749 HA LEU 97 HA LEU 97 5.430 15.157 8.109 750 HB2 LEU 97 HB2 LEU 97 6.956 16.969 9.883 751 HB3 LEU 97 HB3 LEU 97 6.120 15.731 10.757 752 HG LEU 97 HG LEU 97 8.045 15.228 8.450 753 HD11 LEU 97 HD11 LEU 97 9.165 16.066 10.495 754 HD12 LEU 97 HD12 LEU 97 9.557 14.369 10.213 755 HD13 LEU 97 HD13 LEU 97 8.364 14.813 11.461 756 HD21 LEU 97 HD21 LEU 97 6.395 13.393 8.593 757 HD22 LEU 97 HD22 LEU 97 6.666 13.269 10.346 758 HD23 LEU 97 HD23 LEU 97 7.953 12.859 9.180 759 H VAL 98 HN VAL 98 3.366 14.639 8.109 760 HA VAL 98 HA VAL 98 1.756 15.362 10.500 761 HB VAL 98 HB VAL 98 -0.268 15.290 9.059 762 HG11 VAL 98 HG11 VAL 98 1.709 17.346 8.047 763 HG12 VAL 98 HG12 VAL 98 -0.073 17.447 8.149 764 HG13 VAL 98 HG13 VAL 98 0.899 17.404 9.631 765 HG21 VAL 98 HG21 VAL 98 -0.053 15.636 6.604 766 HG22 VAL 98 HG22 VAL 98 1.659 15.219 6.703 767 HG23 VAL 98 HG23 VAL 98 0.420 14.022 7.116 768 HA PRO 99 HA PRO 99 1.538 11.013 10.920 769 HB2 PRO 99 HB2 PRO 99 -0.957 10.570 11.951 770 HB3 PRO 99 HB3 PRO 99 0.417 11.238 12.879 771 HG2 PRO 99 HG2 PRO 99 -1.840 12.730 11.535 772 HG3 PRO 99 HG3 PRO 99 -1.184 12.967 13.189 773 HD2 PRO 99 HD2 PRO 99 -0.429 14.565 11.145 774 HD3 PRO 99 HD3 PRO 99 0.761 14.029 12.367 775 H ARG 100 HN ARG 100 -0.580 12.681 8.737 776 HA ARG 100 HA ARG 100 -1.809 10.209 7.587 777 HB2 ARG 100 HB2 ARG 100 -1.823 13.138 6.824 778 HB3 ARG 100 HB3 ARG 100 -2.636 11.888 5.885 779 HG2 ARG 100 HG2 ARG 100 -4.217 11.432 7.594 780 HG3 ARG 100 HG3 ARG 100 -3.180 12.047 8.861 781 HD2 ARG 100 HD2 ARG 100 -4.523 13.784 8.869 782 HD3 ARG 100 HD3 ARG 100 -3.512 14.369 7.539 783 HE ARG 100 HE ARG 100 -5.559 12.828 6.374 784 HH11 ARG 100 HH11 ARG 100 -5.417 15.748 8.389 785 HH12 ARG 100 HH12 ARG 100 -7.098 16.116 8.225 786 HH21 ARG 100 HH21 ARG 100 -7.597 13.323 5.998 787 HH22 ARG 100 HH22 ARG 100 -8.412 14.732 6.629 788 H LYS 101 HN LYS 101 0.975 12.360 6.981 789 HA LYS 101 HA LYS 101 1.516 11.141 4.358 790 HB2 LYS 101 HB2 LYS 101 2.772 13.350 6.038 791 HB3 LYS 101 HB3 LYS 101 3.624 12.671 4.677 792 HG2 LYS 101 HG2 LYS 101 1.709 13.124 3.179 793 HG3 LYS 101 HG3 LYS 101 0.859 13.924 4.503 794 HD2 LYS 101 HD2 LYS 101 2.644 15.601 4.640 795 HD3 LYS 101 HD3 LYS 101 3.592 14.746 3.440 796 HE2 LYS 101 HE2 LYS 101 2.634 16.612 2.348 797 HE3 LYS 101 HE3 LYS 101 1.764 15.193 1.762 798 HZ1 LYS 101 HZ1 LYS 101 -0.033 15.795 3.317 799 HZ2 LYS 101 HZ2 LYS 101 0.263 16.986 2.244 800 HZ3 LYS 101 HZ3 LYS 101 0.813 17.137 3.789 801 H THR 102 HN THR 102 2.922 11.007 7.711 802 HA THR 102 HA THR 102 5.097 9.381 7.063 803 HB THR 102 HB THR 102 4.886 8.632 9.464 804 HG1 THR 102 HG1 THR 102 3.274 9.327 10.646 805 HG21 THR 102 HG21 THR 102 4.656 11.644 9.004 806 HG22 THR 102 HG22 THR 102 6.146 10.681 8.858 807 HG23 THR 102 HG23 THR 102 5.345 10.839 10.429 808 H ARG 103 HN ARG 103 1.836 8.274 8.149 809 HA ARG 103 HA ARG 103 2.316 5.520 7.853 810 HB2 ARG 103 HB2 ARG 103 -0.116 5.223 7.697 811 HB3 ARG 103 HB3 ARG 103 0.325 6.376 8.967 812 HG2 ARG 103 HG2 ARG 103 -0.223 8.250 7.459 813 HG3 ARG 103 HG3 ARG 103 -0.619 7.128 6.173 814 HD2 ARG 103 HD2 ARG 103 -2.660 7.805 6.970 815 HD3 ARG 103 HD3 ARG 103 -2.445 6.202 7.666 816 HE ARG 103 HE ARG 103 -2.275 8.854 9.014 817 HH11 ARG 103 HH11 ARG 103 -2.156 5.330 9.509 818 HH12 ARG 103 HH12 ARG 103 -2.086 5.476 11.218 819 HH21 ARG 103 HH21 ARG 103 -2.848 8.931 11.235 820 HH22 ARG 103 HH22 ARG 103 -2.544 7.542 12.221 821 H ARG 104 HN ARG 104 1.460 7.843 5.207 822 HA ARG 104 HA ARG 104 1.121 5.773 3.291 823 HB2 ARG 104 HB2 ARG 104 1.501 8.718 3.093 824 HB3 ARG 104 HB3 ARG 104 2.017 7.768 1.705 825 HG2 ARG 104 HG2 ARG 104 -0.724 7.927 2.935 826 HG3 ARG 104 HG3 ARG 104 -0.251 8.346 1.319 827 HD2 ARG 104 HD2 ARG 104 -0.724 5.598 2.497 828 HD3 ARG 104 HD3 ARG 104 -1.451 6.315 1.108 829 HE ARG 104 HE ARG 104 1.453 5.758 1.022 830 HH11 ARG 104 HH11 ARG 104 -1.768 4.560 -0.107 831 HH12 ARG 104 HH12 ARG 104 -1.097 3.738 -1.432 832 HH21 ARG 104 HH21 ARG 104 2.255 4.697 -0.759 833 HH22 ARG 104 HH22 ARG 104 1.230 3.795 -1.827 834 H ALA 105 HN ALA 105 4.135 7.192 4.515 835 HA ALA 105 HA ALA 105 5.740 6.143 2.438 836 HB1 ALA 105 HB1 ALA 105 6.709 7.678 4.064 837 HB2 ALA 105 HB2 ALA 105 6.456 6.505 5.386 838 HB3 ALA 105 HB3 ALA 105 7.610 6.168 4.086 839 H THR 106 HN THR 106 4.419 4.505 5.321 840 HA THR 106 HA THR 106 5.825 2.057 5.002 841 HB THR 106 HB THR 106 3.108 2.717 6.201 842 HG1 THR 106 HG1 THR 106 5.490 3.363 7.012 843 HG21 THR 106 HG21 THR 106 3.252 0.652 7.461 844 HG22 THR 106 HG22 THR 106 4.742 0.195 6.602 845 HG23 THR 106 HG23 THR 106 3.194 0.299 5.736 846 H MET 107 HN MET 107 2.521 3.024 3.778 847 HA MET 107 HA MET 107 2.082 0.578 2.380 848 HB2 MET 107 HB2 MET 107 0.969 3.370 2.113 849 HB3 MET 107 HB3 MET 107 0.348 2.011 1.169 850 HG2 MET 107 HG2 MET 107 -0.706 1.060 3.001 851 HG3 MET 107 HG3 MET 107 0.537 1.596 4.119 852 HE1 MET 107 HE1 MET 107 -2.161 3.564 1.712 853 HE2 MET 107 HE2 MET 107 -2.940 2.272 2.638 854 HE3 MET 107 HE3 MET 107 -3.277 3.966 3.037 855 H THR 108 HN THR 108 3.694 3.670 1.319 856 HA THR 108 HA THR 108 3.751 2.896 -1.407 857 HB THR 108 HB THR 108 5.747 4.744 -0.069 858 HG1 THR 108 HG1 THR 108 4.259 6.353 -0.474 859 HG21 THR 108 HG21 THR 108 4.432 4.752 -2.837 860 HG22 THR 108 HG22 THR 108 6.088 4.188 -2.516 861 HG23 THR 108 HG23 THR 108 5.664 5.886 -2.283 862 H ASN 109 HN ASN 109 6.188 2.250 1.236 863 HA ASN 109 HA ASN 109 8.059 1.097 -0.588 864 HB2 ASN 109 HB2 ASN 109 8.485 1.664 1.868 865 HB3 ASN 109 HB3 ASN 109 7.725 0.128 2.260 866 HD21 ASN 109 HD21 ASN 109 8.924 -1.830 1.845 867 HD22 ASN 109 HD22 ASN 109 10.503 -1.810 1.108 868 H TRP 110 HN TRP 110 5.181 -0.279 0.923 869 HA TRP 110 HA TRP 110 5.735 -3.042 0.251 870 HB2 TRP 110 HB2 TRP 110 4.025 -2.531 1.917 871 HB3 TRP 110 HB3 TRP 110 3.125 -1.575 0.762 872 HD1 TRP 110 HD1 TRP 110 3.971 -5.274 1.527 873 HE1 TRP 110 HE1 TRP 110 2.197 -6.758 0.372 874 HE3 TRP 110 HE3 TRP 110 1.442 -1.683 -1.110 875 HZ2 TRP 110 HZ2 TRP 110 -0.110 -6.394 -1.344 876 HZ3 TRP 110 HZ3 TRP 110 -0.494 -2.321 -2.560 877 HH2 TRP 110 HH2 TRP 110 -1.205 -4.688 -2.706 878 H LEU 111 HN LEU 111 4.162 -0.306 -1.498 879 HA LEU 111 HA LEU 111 3.189 -1.915 -3.638 880 HB2 LEU 111 HB2 LEU 111 3.943 1.018 -3.521 881 HB3 LEU 111 HB3 LEU 111 3.222 0.263 -4.939 882 HG LEU 111 HG LEU 111 1.852 0.180 -2.236 883 HD11 LEU 111 HD11 LEU 111 0.511 2.090 -2.913 884 HD12 LEU 111 HD12 LEU 111 1.414 2.219 -4.433 885 HD13 LEU 111 HD13 LEU 111 2.241 2.545 -2.915 886 HD21 LEU 111 HD21 LEU 111 0.765 -0.025 -5.075 887 HD22 LEU 111 HD22 LEU 111 -0.162 -0.222 -3.576 888 HD23 LEU 111 HD23 LEU 111 1.076 -1.418 -4.031 889 H LEU 112 HN LEU 112 6.423 -0.239 -3.247 890 HA LEU 112 HA LEU 112 7.433 -1.119 -5.762 891 HB2 LEU 112 HB2 LEU 112 8.858 -0.636 -3.115 892 HB3 LEU 112 HB3 LEU 112 9.647 -1.055 -4.632 893 HG LEU 112 HG LEU 112 9.966 1.201 -4.271 894 HD11 LEU 112 HD11 LEU 112 7.865 0.979 -6.455 895 HD12 LEU 112 HD12 LEU 112 9.580 0.547 -6.609 896 HD13 LEU 112 HD13 LEU 112 9.110 2.231 -6.314 897 HD21 LEU 112 HD21 LEU 112 8.208 1.654 -2.711 898 HD22 LEU 112 HD22 LEU 112 7.003 1.684 -4.032 899 HD23 LEU 112 HD23 LEU 112 8.305 2.897 -3.971 900 H ALA 113 HN ALA 113 7.603 -2.693 -2.492 901 HA ALA 113 HA ALA 113 9.125 -4.945 -3.307 902 HB1 ALA 113 HB1 ALA 113 8.648 -4.338 -0.939 903 HB2 ALA 113 HB2 ALA 113 6.953 -4.837 -1.161 904 HB3 ALA 113 HB3 ALA 113 8.253 -6.029 -1.299 905 H TYR 114 HN TYR 114 5.575 -4.509 -3.238 906 HA TYR 114 HA TYR 114 4.841 -7.011 -4.292 907 HB2 TYR 114 HB2 TYR 114 3.232 -5.511 -3.248 908 HB3 TYR 114 HB3 TYR 114 3.490 -4.287 -4.490 909 HD1 TYR 114 HD2 TYR 114 2.679 -7.990 -4.345 910 HD2 TYR 114 HD1 TYR 114 1.839 -4.155 -6.155 911 HE1 TYR 114 HE2 TYR 114 1.023 -9.057 -5.804 912 HE2 TYR 114 HE1 TYR 114 0.108 -5.208 -7.579 913 HH TYR 114 HH TYR 114 -0.076 -8.586 -8.051 914 H ARG 115 HN ARG 115 5.345 -3.876 -6.148 915 HA ARG 115 HA ARG 115 4.776 -5.241 -8.586 916 HB2 ARG 115 HB2 ARG 115 5.669 -3.399 -9.813 917 HB3 ARG 115 HB3 ARG 115 4.550 -2.890 -8.584 918 HG2 ARG 115 HG2 ARG 115 6.077 -1.573 -7.557 919 HG3 ARG 115 HG3 ARG 115 7.390 -2.711 -7.730 920 HD2 ARG 115 HD2 ARG 115 6.367 -1.212 -10.132 921 HD3 ARG 115 HD3 ARG 115 7.479 -0.430 -8.991 922 HE ARG 115 HE ARG 115 8.946 -2.493 -9.360 923 HH11 ARG 115 HH11 ARG 115 7.192 -0.651 -11.863 924 HH12 ARG 115 HH12 ARG 115 8.329 -1.035 -13.104 925 HH21 ARG 115 HH21 ARG 115 10.324 -3.190 -11.164 926 HH22 ARG 115 HH22 ARG 115 10.148 -2.378 -12.674 927 H ARG 116 HN ARG 116 8.029 -4.864 -6.900 928 HA ARG 116 HA ARG 116 9.605 -5.715 -9.079 929 HB2 ARG 116 HB2 ARG 116 10.468 -4.467 -7.209 930 HB3 ARG 116 HB3 ARG 116 9.565 -5.407 -6.045 931 HG2 ARG 116 HG2 ARG 116 11.769 -5.881 -5.739 932 HG3 ARG 116 HG3 ARG 116 10.863 -7.288 -6.294 933 HD2 ARG 116 HD2 ARG 116 11.853 -6.993 -8.581 934 HD3 ARG 116 HD3 ARG 116 12.734 -5.572 -8.029 935 HE ARG 116 HE ARG 116 13.412 -7.604 -6.260 936 HH11 ARG 116 HH11 ARG 116 13.562 -7.507 -9.833 937 HH12 ARG 116 HH12 ARG 116 14.560 -8.898 -9.901 938 HH21 ARG 116 HH21 ARG 116 15.030 -9.245 -6.417 939 HH22 ARG 116 HH22 ARG 116 15.528 -9.715 -8.009 940 H SER 117 HN SER 117 7.977 -7.349 -6.339 941 HA SER 117 HA SER 117 8.783 -9.979 -6.939 942 HB2 SER 117 HB2 SER 117 6.106 -9.139 -5.765 943 HB3 SER 117 HB3 SER 117 6.904 -10.685 -5.607 944 HG SER 117 HG SER 117 7.754 -8.184 -4.563 945 H GLN 118 HN GLN 118 6.748 -8.102 -9.020 946 HA GLN 118 HA GLN 118 5.349 -10.419 -10.146 947 HB2 GLN 118 HB2 GLN 118 5.743 -7.618 -11.228 948 HB3 GLN 118 HB3 GLN 118 4.700 -8.846 -11.913 949 HG2 GLN 118 HG2 GLN 118 3.327 -8.902 -9.906 950 HG3 GLN 118 HG3 GLN 118 4.410 -7.801 -9.057 951 HE21 GLN 118 HE21 GLN 118 2.187 -6.812 -8.811 952 HE22 GLN 118 HE22 GLN 118 1.727 -5.604 -10.036 953 H GLN 119 HN GLN 119 8.314 -8.657 -10.488 954 HA GLN 119 HA GLN 119 9.400 -10.168 -12.784 955 HB2 GLN 119 HB2 GLN 119 10.481 -7.756 -11.240 956 HB3 GLN 119 HB3 GLN 119 11.292 -8.600 -12.549 957 HG2 GLN 119 HG2 GLN 119 10.362 -6.622 -13.388 958 HG3 GLN 119 HG3 GLN 119 9.462 -8.011 -14.078 959 HE21 GLN 119 HE21 GLN 119 9.369 -5.691 -11.355 960 HE22 GLN 119 HE22 GLN 119 7.603 -5.690 -11.236 961 H ASP 120 HN ASP 120 8.737 -11.690 -10.719 962 HA ASP 120 HA ASP 120 10.865 -12.037 -8.744 963 HB2 ASP 120 HB2 ASP 120 8.334 -13.158 -8.989 964 HB3 ASP 120 HB3 ASP 120 9.451 -14.473 -9.342 Start of MODEL 10 1 H1 MET 1 HN MET 1 -4.817 -12.811 -8.777 2 HA MET 1 HA MET 1 -5.441 -10.605 -10.652 3 HB2 MET 1 HB2 MET 1 -7.082 -10.902 -8.789 4 HB3 MET 1 HB3 MET 1 -5.792 -10.675 -7.619 5 HG2 MET 1 HG2 MET 1 -6.303 -8.504 -7.622 6 HG3 MET 1 HG3 MET 1 -5.522 -8.400 -9.193 7 HE1 MET 1 HE1 MET 1 -7.708 -6.276 -8.179 8 HE2 MET 1 HE2 MET 1 -6.919 -6.196 -9.776 9 HE3 MET 1 HE3 MET 1 -8.688 -6.088 -9.647 10 H GLY 2 HN GLY 2 -3.419 -9.793 -11.338 11 HA2 GLY 2 HA2 GLY 2 -1.596 -8.992 -9.197 12 HA3 GLY 2 HA1 GLY 2 -0.979 -9.981 -10.498 13 H ILE 3 HN ILE 3 -2.300 -6.987 -9.587 14 HA ILE 3 HA ILE 3 -2.254 -5.616 -12.140 15 HB ILE 3 HB ILE 3 -1.967 -4.447 -9.363 16 HG12 ILE 3 HG12 ILE 3 -4.500 -5.299 -10.848 17 HG13 ILE 3 HG13 ILE 3 -3.908 -5.944 -9.320 18 HG21 ILE 3 HG21 ILE 3 -3.206 -3.173 -11.820 19 HG22 ILE 3 HG22 ILE 3 -2.942 -2.421 -10.230 20 HG23 ILE 3 HG23 ILE 3 -1.569 -2.841 -11.205 21 HD11 ILE 3 HD11 ILE 3 -4.263 -3.615 -8.324 22 HD12 ILE 3 HD12 ILE 3 -5.074 -3.174 -9.832 23 HD13 ILE 3 HD13 ILE 3 -5.740 -4.462 -8.827 24 H THR 4 HN THR 4 -0.665 -4.142 -12.785 25 HA THR 4 HA THR 4 2.122 -4.516 -11.799 26 HB THR 4 HB THR 4 0.988 -3.671 -14.472 27 HG1 THR 4 HG1 THR 4 1.692 -5.952 -13.709 28 HG21 THR 4 HG21 THR 4 2.701 -2.003 -13.952 29 HG22 THR 4 HG22 THR 4 3.376 -3.181 -15.112 30 HG23 THR 4 HG23 THR 4 3.796 -3.268 -13.383 31 H ILE 5 HN ILE 5 2.802 -2.912 -10.492 32 HA ILE 5 HA ILE 5 1.417 -0.355 -10.364 33 HB ILE 5 HB ILE 5 3.952 -1.387 -9.103 34 HG12 ILE 5 HG12 ILE 5 2.079 -2.610 -8.217 35 HG13 ILE 5 HG13 ILE 5 2.675 -1.532 -6.970 36 HG21 ILE 5 HG21 ILE 5 2.611 1.221 -8.425 37 HG22 ILE 5 HG22 ILE 5 3.851 0.427 -7.448 38 HG23 ILE 5 HG23 ILE 5 4.244 0.946 -9.087 39 HD11 ILE 5 HD11 ILE 5 0.174 -1.136 -8.670 40 HD12 ILE 5 HD12 ILE 5 0.259 -1.631 -6.977 41 HD13 ILE 5 HD13 ILE 5 0.776 0.005 -7.439 42 H THR 6 HN THR 6 2.226 1.658 -11.018 43 HA THR 6 HA THR 6 4.759 1.657 -12.565 44 HB THR 6 HB THR 6 3.694 3.834 -13.481 45 HG1 THR 6 HG1 THR 6 1.299 2.420 -12.856 46 HG21 THR 6 HG21 THR 6 2.539 1.098 -14.207 47 HG22 THR 6 HG22 THR 6 4.046 1.802 -14.844 48 HG23 THR 6 HG23 THR 6 2.492 2.549 -15.246 49 H ASP 7 HN ASP 7 6.337 2.999 -11.919 50 HA ASP 7 HA ASP 7 6.367 4.173 -9.299 51 HB2 ASP 7 HB2 ASP 7 8.226 4.452 -11.708 52 HB3 ASP 7 HB3 ASP 7 8.555 5.136 -10.136 53 H GLU 8 HN GLU 8 5.387 5.284 -12.515 54 HA GLU 8 HA GLU 8 5.510 8.100 -11.903 55 HB2 GLU 8 HB2 GLU 8 4.039 8.367 -13.824 56 HB3 GLU 8 HB3 GLU 8 5.371 7.254 -14.200 57 HG2 GLU 8 HG2 GLU 8 4.108 5.532 -14.624 58 HG3 GLU 8 HG3 GLU 8 3.009 5.840 -13.298 59 H LEU 9 HN LEU 9 2.978 5.531 -11.284 60 HA LEU 9 HA LEU 9 1.086 7.482 -10.545 61 HB2 LEU 9 HB2 LEU 9 0.745 5.394 -11.911 62 HB3 LEU 9 HB3 LEU 9 1.290 4.446 -10.553 63 HG LEU 9 HG LEU 9 -0.430 4.951 -9.258 64 HD11 LEU 9 HD11 LEU 9 -0.964 7.287 -9.419 65 HD12 LEU 9 HD12 LEU 9 -2.427 6.437 -9.862 66 HD13 LEU 9 HD13 LEU 9 -1.399 7.136 -11.140 67 HD21 LEU 9 HD21 LEU 9 -0.845 3.416 -11.271 68 HD22 LEU 9 HD22 LEU 9 -1.738 4.730 -12.009 69 HD23 LEU 9 HD23 LEU 9 -2.335 4.008 -10.491 70 H LEU 10 HN LEU 10 3.497 5.210 -8.820 71 HA LEU 10 HA LEU 10 2.042 5.604 -6.414 72 HB2 LEU 10 HB2 LEU 10 3.277 3.947 -5.713 73 HB3 LEU 10 HB3 LEU 10 3.711 3.816 -7.383 74 HG LEU 10 HG LEU 10 5.614 3.548 -6.646 75 HD11 LEU 10 HD11 LEU 10 5.708 5.759 -7.820 76 HD12 LEU 10 HD12 LEU 10 7.129 5.128 -7.033 77 HD13 LEU 10 HD13 LEU 10 6.222 6.440 -6.256 78 HD21 LEU 10 HD21 LEU 10 5.075 3.630 -4.214 79 HD22 LEU 10 HD22 LEU 10 5.149 5.421 -4.263 80 HD23 LEU 10 HD23 LEU 10 6.609 4.462 -4.507 81 H TRP 11 HN TRP 11 4.546 7.441 -8.118 82 HA TRP 11 HA TRP 11 5.256 9.243 -6.104 83 HB2 TRP 11 HB2 TRP 11 5.156 9.312 -9.060 84 HB3 TRP 11 HB3 TRP 11 5.070 10.882 -8.292 85 HD1 TRP 11 HD1 TRP 11 7.523 8.653 -9.613 86 HE1 TRP 11 HE1 TRP 11 9.836 9.096 -8.728 87 HE3 TRP 11 HE3 TRP 11 6.289 11.716 -5.726 88 HZ2 TRP 11 HZ2 TRP 11 11.052 10.462 -6.417 89 HZ3 TRP 11 HZ3 TRP 11 8.042 12.602 -4.199 90 HH2 TRP 11 HH2 TRP 11 10.403 11.956 -4.500 91 H ALA 12 HN ALA 12 2.166 9.096 -7.905 92 HA ALA 12 HA ALA 12 1.256 11.676 -7.211 93 HB1 ALA 12 HB1 ALA 12 -0.969 10.733 -7.783 94 HB2 ALA 12 HB2 ALA 12 0.268 10.393 -9.008 95 HB3 ALA 12 HB3 ALA 12 -0.268 9.133 -7.879 96 H ILE 13 HN ILE 13 1.470 8.797 -5.170 97 HA ILE 13 HA ILE 13 -0.422 9.760 -3.183 98 HB ILE 13 HB ILE 13 1.822 7.706 -3.016 99 HG12 ILE 13 HG12 ILE 13 -0.344 6.207 -2.620 100 HG13 ILE 13 HG13 ILE 13 -1.171 7.488 -3.488 101 HG21 ILE 13 HG21 ILE 13 0.744 7.045 -0.851 102 HG22 ILE 13 HG22 ILE 13 1.448 8.659 -0.810 103 HG23 ILE 13 HG23 ILE 13 -0.315 8.464 -0.995 104 HD11 ILE 13 HD11 ILE 13 1.216 5.867 -4.476 105 HD12 ILE 13 HD12 ILE 13 -0.459 5.554 -4.912 106 HD13 ILE 13 HD13 ILE 13 0.305 7.045 -5.466 107 H LEU 14 HN LEU 14 3.284 9.767 -3.491 108 HA LEU 14 HA LEU 14 3.691 11.266 -1.188 109 HB2 LEU 14 HB2 LEU 14 5.339 11.165 -3.746 110 HB3 LEU 14 HB3 LEU 14 5.877 11.735 -2.188 111 HG LEU 14 HG LEU 14 6.758 9.772 -1.943 112 HD11 LEU 14 HD11 LEU 14 4.993 9.498 -0.303 113 HD12 LEU 14 HD12 LEU 14 5.589 7.953 -0.933 114 HD13 LEU 14 HD13 LEU 14 4.034 8.581 -1.495 115 HD21 LEU 14 HD21 LEU 14 5.035 8.497 -4.019 116 HD22 LEU 14 HD22 LEU 14 6.449 7.757 -3.255 117 HD23 LEU 14 HD23 LEU 14 6.664 9.170 -4.254 118 H LYS 15 HN LYS 15 3.199 12.361 -4.582 119 HA LYS 15 HA LYS 15 4.113 14.982 -4.200 120 HB2 LYS 15 HB2 LYS 15 2.181 13.731 -6.219 121 HB3 LYS 15 HB3 LYS 15 2.678 15.404 -6.333 122 HG2 LYS 15 HG2 LYS 15 4.504 12.997 -6.609 123 HG3 LYS 15 HG3 LYS 15 3.939 14.099 -7.863 124 HD2 LYS 15 HD2 LYS 15 5.083 15.952 -6.325 125 HD3 LYS 15 HD3 LYS 15 5.908 14.567 -5.620 126 HE2 LYS 15 HE2 LYS 15 7.259 15.625 -7.331 127 HE3 LYS 15 HE3 LYS 15 6.866 13.967 -7.807 128 HZ1 LYS 15 HZ1 LYS 15 5.433 14.738 -9.447 129 HZ2 LYS 15 HZ2 LYS 15 6.663 15.805 -9.529 130 HZ3 LYS 15 HZ3 LYS 15 5.252 16.239 -8.774 131 H ASP 16 HN ASP 16 0.724 14.696 -5.161 132 HA ASP 16 HA ASP 16 -0.680 14.772 -2.963 133 HB2 ASP 16 HB2 ASP 16 0.076 17.630 -3.677 134 HB3 ASP 16 HB3 ASP 16 -1.565 17.224 -3.199 135 H GLU 17 HN GLU 17 -1.381 13.278 -4.863 136 HA GLU 17 HA GLU 17 -3.357 14.731 -6.457 137 HB2 GLU 17 HB2 GLU 17 -1.787 14.472 -8.072 138 HB3 GLU 17 HB3 GLU 17 -1.044 13.028 -7.363 139 HG2 GLU 17 HG2 GLU 17 -2.934 11.689 -7.973 140 HG3 GLU 17 HG3 GLU 17 -3.793 13.093 -8.640 141 H LEU 18 HN LEU 18 -2.147 11.515 -5.261 142 HA LEU 18 HA LEU 18 -4.955 10.575 -5.208 143 HB2 LEU 18 HB2 LEU 18 -2.333 9.396 -4.357 144 HB3 LEU 18 HB3 LEU 18 -3.796 8.737 -3.684 145 HG LEU 18 HG LEU 18 -3.973 9.104 -6.579 146 HD11 LEU 18 HD11 LEU 18 -2.670 7.222 -7.185 147 HD12 LEU 18 HD12 LEU 18 -2.297 6.935 -5.455 148 HD13 LEU 18 HD13 LEU 18 -1.675 8.387 -6.296 149 HD21 LEU 18 HD21 LEU 18 -5.639 7.947 -4.958 150 HD22 LEU 18 HD22 LEU 18 -4.637 6.507 -5.281 151 HD23 LEU 18 HD23 LEU 18 -5.406 7.381 -6.588 152 H SER 19 HN SER 19 -5.719 9.796 -3.275 153 HA SER 19 HA SER 19 -5.634 12.162 -1.475 154 HB2 SER 19 HB2 SER 19 -7.559 11.675 -3.179 155 HB3 SER 19 HB3 SER 19 -8.189 10.630 -1.897 156 HG SER 19 HG SER 19 -8.718 12.999 -2.116 157 H ASP 20 HN ASP 20 -7.698 11.026 0.332 158 HA ASP 20 HA ASP 20 -6.000 9.505 2.157 159 HB2 ASP 20 HB2 ASP 20 -8.205 9.313 3.477 160 HB3 ASP 20 HB3 ASP 20 -7.326 10.826 3.384 161 H ALA 21 HN ALA 21 -9.315 8.670 1.226 162 HA ALA 21 HA ALA 21 -8.878 5.868 1.307 163 HB1 ALA 21 HB1 ALA 21 -11.170 5.787 0.363 164 HB2 ALA 21 HB2 ALA 21 -11.040 6.944 1.711 165 HB3 ALA 21 HB3 ALA 21 -11.090 7.535 0.038 166 H GLU 22 HN GLU 22 -8.735 8.218 -1.366 167 HA GLU 22 HA GLU 22 -8.944 6.375 -3.520 168 HB2 GLU 22 HB2 GLU 22 -7.535 9.025 -3.418 169 HB3 GLU 22 HB3 GLU 22 -7.885 8.131 -4.897 170 HG2 GLU 22 HG2 GLU 22 -10.196 8.714 -3.052 171 HG3 GLU 22 HG3 GLU 22 -9.469 10.023 -3.928 172 H ALA 23 HN ALA 23 -6.107 7.587 -1.637 173 HA ALA 23 HA ALA 23 -4.123 6.341 -3.302 174 HB1 ALA 23 HB1 ALA 23 -3.515 8.117 -1.671 175 HB2 ALA 23 HB2 ALA 23 -3.976 7.045 -0.336 176 HB3 ALA 23 HB3 ALA 23 -2.602 6.635 -1.371 177 H ASN 24 HN ASN 24 -6.042 5.494 -0.471 178 HA ASN 24 HA ASN 24 -4.766 3.119 0.431 179 HB2 ASN 24 HB2 ASN 24 -6.747 4.802 1.384 180 HB3 ASN 24 HB3 ASN 24 -7.717 3.432 0.870 181 HD21 ASN 24 HD21 ASN 24 -7.681 4.203 3.536 182 HD22 ASN 24 HD22 ASN 24 -6.794 3.024 4.469 183 H ALA 25 HN ALA 25 -7.549 3.695 -1.718 184 HA ALA 25 HA ALA 25 -8.330 1.122 -2.255 185 HB1 ALA 25 HB1 ALA 25 -9.507 3.138 -3.071 186 HB2 ALA 25 HB2 ALA 25 -8.211 3.415 -4.256 187 HB3 ALA 25 HB3 ALA 25 -9.220 1.967 -4.375 188 H LEU 26 HN LEU 26 -5.530 2.861 -3.882 189 HA LEU 26 HA LEU 26 -5.056 0.827 -5.762 190 HB2 LEU 26 HB2 LEU 26 -3.074 2.697 -4.415 191 HB3 LEU 26 HB3 LEU 26 -2.783 1.684 -5.818 192 HG LEU 26 HG LEU 26 -4.616 4.083 -5.738 193 HD11 LEU 26 HD11 LEU 26 -2.241 4.575 -5.814 194 HD12 LEU 26 HD12 LEU 26 -2.945 4.918 -7.394 195 HD13 LEU 26 HD13 LEU 26 -1.982 3.446 -7.156 196 HD21 LEU 26 HD21 LEU 26 -4.351 1.866 -7.781 197 HD22 LEU 26 HD22 LEU 26 -4.592 3.543 -8.342 198 HD23 LEU 26 HD23 LEU 26 -5.763 2.803 -7.272 199 H VAL 27 HN VAL 27 -4.250 0.854 -2.298 200 HA VAL 27 HA VAL 27 -2.432 -1.413 -2.491 201 HB VAL 27 HB VAL 27 -4.080 -0.531 -0.086 202 HG11 VAL 27 HG11 VAL 27 -1.361 -1.901 -0.311 203 HG12 VAL 27 HG12 VAL 27 -2.206 -1.499 1.192 204 HG13 VAL 27 HG13 VAL 27 -2.888 -2.705 0.097 205 HG21 VAL 27 HG21 VAL 27 -2.212 0.855 0.629 206 HG22 VAL 27 HG22 VAL 27 -1.367 0.575 -0.922 207 HG23 VAL 27 HG23 VAL 27 -2.896 1.487 -0.857 208 H TRP 28 HN TRP 28 -5.883 -0.888 -1.654 209 HA TRP 28 HA TRP 28 -6.517 -3.537 -1.009 210 HB2 TRP 28 HB2 TRP 28 -8.356 -1.418 -2.155 211 HB3 TRP 28 HB3 TRP 28 -8.809 -2.778 -1.136 212 HD1 TRP 28 HD1 TRP 28 -6.062 -1.852 0.802 213 HE1 TRP 28 HE1 TRP 28 -6.604 -0.117 2.628 214 HE3 TRP 28 HE3 TRP 28 -10.451 0.045 -1.104 215 HZ2 TRP 28 HZ2 TRP 28 -8.852 1.389 3.393 216 HZ3 TRP 28 HZ3 TRP 28 -11.745 1.686 0.214 217 HH2 TRP 28 HH2 TRP 28 -10.987 2.372 2.459 218 H GLN 29 HN GLN 29 -6.829 -1.845 -4.155 219 HA GLN 29 HA GLN 29 -7.992 -4.077 -5.541 220 HB2 GLN 29 HB2 GLN 29 -7.408 -2.824 -7.555 221 HB3 GLN 29 HB3 GLN 29 -8.248 -1.850 -6.339 222 HG2 GLN 29 HG2 GLN 29 -5.808 -1.093 -5.804 223 HG3 GLN 29 HG3 GLN 29 -5.450 -1.714 -7.406 224 HE21 GLN 29 HE21 GLN 29 -6.796 -0.806 -9.255 225 HE22 GLN 29 HE22 GLN 29 -7.225 0.895 -9.095 226 H ALA 30 HN ALA 30 -4.629 -3.025 -5.116 227 HA ALA 30 HA ALA 30 -3.406 -5.003 -6.807 228 HB1 ALA 30 HB1 ALA 30 -2.166 -3.020 -6.025 229 HB2 ALA 30 HB2 ALA 30 -2.303 -3.592 -4.341 230 HB3 ALA 30 HB3 ALA 30 -1.342 -4.506 -5.506 231 H LEU 31 HN LEU 31 -4.439 -5.154 -3.409 232 HA LEU 31 HA LEU 31 -3.474 -7.858 -2.934 233 HB2 LEU 31 HB2 LEU 31 -5.785 -6.299 -1.763 234 HB3 LEU 31 HB3 LEU 31 -5.253 -7.862 -1.165 235 HG LEU 31 HG LEU 31 -3.440 -5.423 -1.246 236 HD11 LEU 31 HD11 LEU 31 -4.761 -6.279 1.310 237 HD12 LEU 31 HD12 LEU 31 -5.696 -5.282 0.183 238 HD13 LEU 31 HD13 LEU 31 -4.175 -4.686 0.784 239 HD21 LEU 31 HD21 LEU 31 -2.167 -6.661 0.468 240 HD22 LEU 31 HD22 LEU 31 -2.301 -7.596 -1.018 241 HD23 LEU 31 HD23 LEU 31 -3.324 -8.001 0.372 242 H GLY 32 HN GLY 32 -6.658 -6.490 -3.842 243 HA2 GLY 32 HA2 GLY 32 -7.645 -7.520 -5.905 244 HA3 GLY 32 HA1 GLY 32 -7.414 -9.088 -5.126 245 H TYR 33 HN TYR 33 -8.522 -6.178 -3.299 246 HA TYR 33 HA TYR 33 -10.658 -7.760 -2.226 247 HB2 TYR 33 HB2 TYR 33 -9.806 -4.891 -1.880 248 HB3 TYR 33 HB3 TYR 33 -11.369 -5.424 -1.293 249 HD1 TYR 33 HD1 TYR 33 -7.809 -6.614 -1.158 250 HD2 TYR 33 HD2 TYR 33 -11.541 -6.153 0.949 251 HE1 TYR 33 HE1 TYR 33 -6.752 -7.484 0.923 252 HE2 TYR 33 HE2 TYR 33 -10.493 -6.988 3.018 253 HH TYR 33 HH TYR 33 -7.888 -8.637 3.384 254 H VAL 34 HN VAL 34 -10.699 -5.129 -4.685 255 HA VAL 34 HA VAL 34 -12.380 -4.247 -5.845 256 HB VAL 34 HB VAL 34 -11.516 -5.700 -7.325 257 HG11 VAL 34 HG11 VAL 34 -11.311 -7.789 -6.237 258 HG12 VAL 34 HG12 VAL 34 -13.062 -7.952 -6.055 259 HG13 VAL 34 HG13 VAL 34 -12.305 -8.064 -7.663 260 HG21 VAL 34 HG21 VAL 34 -14.495 -6.243 -7.491 261 HG22 VAL 34 HG22 VAL 34 -13.753 -4.674 -7.835 262 HG23 VAL 34 HG23 VAL 34 -13.325 -6.090 -8.824 263 H TRP 35 HN TRP 35 -13.805 -3.164 -4.799 264 HA TRP 35 HA TRP 35 -16.033 -4.012 -3.343 265 HB2 TRP 35 HB2 TRP 35 -15.296 -1.703 -3.497 266 HB3 TRP 35 HB3 TRP 35 -15.673 -1.617 -5.183 267 HD1 TRP 35 HD1 TRP 35 -18.012 -0.898 -5.830 268 HE1 TRP 35 HE1 TRP 35 -20.217 -0.400 -4.634 269 HE3 TRP 35 HE3 TRP 35 -16.789 -2.692 -1.219 270 HZ2 TRP 35 HZ2 TRP 35 -21.363 -0.862 -1.978 271 HZ3 TRP 35 HZ3 TRP 35 -18.439 -2.687 0.615 272 HH2 TRP 35 HH2 TRP 35 -20.736 -1.780 0.229 273 H ASP 36 HN ASP 36 -17.749 -5.153 -3.857 274 HA ASP 36 HA ASP 36 -18.372 -5.654 -6.710 275 HB2 ASP 36 HB2 ASP 36 -17.859 -7.432 -4.686 276 HB3 ASP 36 HB3 ASP 36 -19.587 -7.374 -4.601 277 H GLU 37 HN GLU 37 -19.469 -3.767 -6.993 278 HA GLU 37 HA GLU 37 -20.993 -2.510 -5.062 279 HB2 GLU 37 HB2 GLU 37 -19.955 -1.515 -7.105 280 HB3 GLU 37 HB3 GLU 37 -21.240 -2.221 -8.099 281 HG2 GLU 37 HG2 GLU 37 -22.902 -0.814 -7.108 282 HG3 GLU 37 HG3 GLU 37 -21.838 -0.381 -5.757 283 H ALA 38 HN ALA 38 -22.010 -4.943 -7.246 284 HA ALA 38 HA ALA 38 -24.888 -4.475 -7.008 285 HB1 ALA 38 HB1 ALA 38 -25.147 -6.498 -8.291 286 HB2 ALA 38 HB2 ALA 38 -23.777 -5.624 -8.990 287 HB3 ALA 38 HB3 ALA 38 -23.493 -7.022 -7.922 288 H GLN 39 HN GLN 39 -22.419 -6.323 -5.224 289 HA GLN 39 HA GLN 39 -24.559 -7.625 -3.594 290 HB2 GLN 39 HB2 GLN 39 -21.569 -8.161 -3.746 291 HB3 GLN 39 HB3 GLN 39 -22.736 -8.997 -2.719 292 HG2 GLN 39 HG2 GLN 39 -24.077 -9.529 -4.835 293 HG3 GLN 39 HG3 GLN 39 -22.661 -8.931 -5.718 294 HE21 GLN 39 HE21 GLN 39 -21.713 -10.658 -6.596 295 HE22 GLN 39 HE22 GLN 39 -21.314 -12.147 -5.747 296 H SER 40 HN SER 40 -22.584 -4.913 -3.729 297 HA SER 40 HA SER 40 -21.927 -3.299 -2.417 298 HB2 SER 40 HB2 SER 40 -24.392 -3.924 -0.769 299 HB3 SER 40 HB3 SER 40 -23.486 -2.404 -0.838 300 HG SER 40 HG SER 40 -24.145 -3.233 -3.339 301 H CYS 41 HN CYS 41 -20.543 -5.559 -2.072 302 HA CYS 41 HA CYS 41 -19.401 -4.916 0.510 303 HB2 CYS 41 HB2 CYS 41 -20.176 -7.797 -0.144 304 HB3 CYS 41 HB3 CYS 41 -18.922 -7.388 1.023 305 HG CYS 41 HG CYS 41 -21.955 -6.119 1.106 306 H TRP 42 HN TRP 42 -17.189 -5.770 0.698 307 HA TRP 42 HA TRP 42 -15.637 -5.638 -1.724 308 HB2 TRP 42 HB2 TRP 42 -14.964 -6.656 1.081 309 HB3 TRP 42 HB3 TRP 42 -13.802 -6.220 -0.167 310 HD1 TRP 42 HD1 TRP 42 -15.871 -4.737 2.607 311 HE1 TRP 42 HE1 TRP 42 -15.776 -2.195 2.623 312 HE3 TRP 42 HE3 TRP 42 -13.554 -4.025 -1.889 313 HZ2 TRP 42 HZ2 TRP 42 -14.648 -0.081 0.948 314 HZ3 TRP 42 HZ3 TRP 42 -13.070 -1.712 -2.691 315 HH2 TRP 42 HH2 TRP 42 -13.611 0.239 -1.296 316 H LYS 43 HN LYS 43 -14.267 -7.485 -2.479 317 HA LYS 43 HA LYS 43 -15.506 -10.140 -2.002 318 HB2 LYS 43 HB2 LYS 43 -13.808 -9.121 -4.294 319 HB3 LYS 43 HB3 LYS 43 -14.190 -10.832 -3.991 320 HG2 LYS 43 HG2 LYS 43 -16.652 -10.132 -3.831 321 HG3 LYS 43 HG3 LYS 43 -16.143 -8.572 -4.480 322 HD2 LYS 43 HD2 LYS 43 -15.648 -11.220 -5.875 323 HD3 LYS 43 HD3 LYS 43 -17.092 -10.212 -6.123 324 HE2 LYS 43 HE2 LYS 43 -15.357 -8.288 -6.525 325 HE3 LYS 43 HE3 LYS 43 -14.230 -9.638 -6.774 326 HZ1 LYS 43 HZ1 LYS 43 -16.766 -9.029 -8.184 327 HZ2 LYS 43 HZ2 LYS 43 -15.994 -10.451 -8.417 328 HZ3 LYS 43 HZ3 LYS 43 -15.262 -9.045 -8.884 329 H THR 44 HN THR 44 -14.175 -11.775 -1.392 330 HA THR 44 HA THR 44 -11.324 -11.092 -0.877 331 HB THR 44 HB THR 44 -11.555 -12.746 1.014 332 HG1 THR 44 HG1 THR 44 -13.626 -13.580 0.754 333 HG21 THR 44 HG21 THR 44 -12.299 -10.985 2.585 334 HG22 THR 44 HG22 THR 44 -13.016 -10.066 1.253 335 HG23 THR 44 HG23 THR 44 -11.260 -10.288 1.327 336 H ASP 45 HN ASP 45 -13.079 -12.451 -3.122 337 HA ASP 45 HA ASP 45 -12.443 -15.204 -3.317 338 HB2 ASP 45 HB2 ASP 45 -13.118 -13.027 -5.354 339 HB3 ASP 45 HB3 ASP 45 -12.751 -14.682 -5.829 340 H LEU 46 HN LEU 46 -11.042 -12.230 -4.701 341 HA LEU 46 HA LEU 46 -8.907 -13.781 -5.835 342 HB2 LEU 46 HB2 LEU 46 -9.634 -10.847 -6.053 343 HB3 LEU 46 HB3 LEU 46 -8.225 -11.540 -6.841 344 HG LEU 46 HG LEU 46 -11.109 -12.417 -7.335 345 HD11 LEU 46 HD11 LEU 46 -9.206 -10.815 -9.073 346 HD12 LEU 46 HD12 LEU 46 -10.619 -10.168 -8.227 347 HD13 LEU 46 HD13 LEU 46 -10.801 -11.355 -9.551 348 HD21 LEU 46 HD21 LEU 46 -8.473 -13.303 -8.593 349 HD22 LEU 46 HD22 LEU 46 -10.053 -13.585 -9.331 350 HD23 LEU 46 HD23 LEU 46 -9.710 -14.313 -7.779 351 H VAL 47 HN VAL 47 -9.295 -12.437 -2.843 352 HA VAL 47 HA VAL 47 -6.631 -11.282 -2.467 353 HB VAL 47 HB VAL 47 -8.940 -11.854 -0.542 354 HG11 VAL 47 HG11 VAL 47 -6.380 -10.227 -0.175 355 HG12 VAL 47 HG12 VAL 47 -7.772 -10.205 0.937 356 HG13 VAL 47 HG13 VAL 47 -6.865 -11.694 0.695 357 HG21 VAL 47 HG21 VAL 47 -8.086 -9.244 -1.873 358 HG22 VAL 47 HG22 VAL 47 -9.581 -10.142 -2.221 359 HG23 VAL 47 HG23 VAL 47 -9.354 -9.410 -0.638 360 H ALA 48 HN ALA 48 -5.061 -12.289 -1.140 361 HA ALA 48 HA ALA 48 -4.778 -15.138 -1.397 362 HB1 ALA 48 HB1 ALA 48 -3.353 -13.279 0.557 363 HB2 ALA 48 HB2 ALA 48 -2.727 -14.784 -0.141 364 HB3 ALA 48 HB3 ALA 48 -2.937 -13.362 -1.166 365 HA PRO 49 HA PRO 49 -6.913 -16.689 2.151 366 HB2 PRO 49 HB2 PRO 49 -5.079 -18.390 3.390 367 HB3 PRO 49 HB3 PRO 49 -6.082 -18.803 1.975 368 HG2 PRO 49 HG2 PRO 49 -3.207 -17.928 2.037 369 HG3 PRO 49 HG3 PRO 49 -3.979 -19.170 1.005 370 HD2 PRO 49 HD2 PRO 49 -3.401 -16.686 0.109 371 HD3 PRO 49 HD3 PRO 49 -4.854 -17.522 -0.453 372 H GLU 50 HN GLU 50 -3.500 -15.901 3.004 373 HA GLU 50 HA GLU 50 -3.947 -15.161 5.647 374 HB2 GLU 50 HB2 GLU 50 -1.819 -13.934 5.457 375 HB3 GLU 50 HB3 GLU 50 -1.781 -15.561 4.781 376 HG2 GLU 50 HG2 GLU 50 -2.027 -14.527 2.449 377 HG3 GLU 50 HG3 GLU 50 -1.903 -12.955 3.220 378 H TRP 51 HN TRP 51 -4.574 -13.187 2.730 379 HA TRP 51 HA TRP 51 -4.956 -10.773 4.403 380 HB2 TRP 51 HB2 TRP 51 -4.792 -11.287 1.437 381 HB3 TRP 51 HB3 TRP 51 -5.397 -9.760 2.090 382 HD1 TRP 51 HD1 TRP 51 -2.265 -11.488 1.206 383 HE1 TRP 51 HE1 TRP 51 -0.222 -10.111 1.877 384 HE3 TRP 51 HE3 TRP 51 -4.638 -7.943 3.986 385 HZ2 TRP 51 HZ2 TRP 51 0.274 -7.494 3.224 386 HZ3 TRP 51 HZ3 TRP 51 -3.412 -6.017 4.893 387 HH2 TRP 51 HH2 TRP 51 -0.954 -5.777 4.520 388 H ARG 52 HN ARG 52 -6.971 -13.408 3.368 389 HA ARG 52 HA ARG 52 -9.307 -11.647 3.948 390 HB2 ARG 52 HB2 ARG 52 -10.659 -13.126 2.809 391 HB3 ARG 52 HB3 ARG 52 -9.313 -12.736 1.726 392 HG2 ARG 52 HG2 ARG 52 -8.325 -15.022 2.459 393 HG3 ARG 52 HG3 ARG 52 -9.904 -15.337 3.218 394 HD2 ARG 52 HD2 ARG 52 -10.932 -14.720 0.955 395 HD3 ARG 52 HD3 ARG 52 -9.284 -14.811 0.286 396 HE ARG 52 HE ARG 52 -9.946 -17.178 1.729 397 HH11 ARG 52 HH11 ARG 52 -10.723 -15.493 -1.296 398 HH12 ARG 52 HH12 ARG 52 -11.429 -16.872 -2.088 399 HH21 ARG 52 HH21 ARG 52 -10.857 -19.016 0.698 400 HH22 ARG 52 HH22 ARG 52 -11.301 -18.993 -0.994 401 H GLN 53 HN GLN 53 -7.235 -13.748 5.432 402 HA GLN 53 HA GLN 53 -8.719 -15.768 6.349 403 HB2 GLN 53 HB2 GLN 53 -6.124 -14.805 6.754 404 HB3 GLN 53 HB3 GLN 53 -6.778 -14.821 8.392 405 HG2 GLN 53 HG2 GLN 53 -7.380 -17.154 8.171 406 HG3 GLN 53 HG3 GLN 53 -6.966 -17.162 6.453 407 HE21 GLN 53 HE21 GLN 53 -5.191 -18.644 6.357 408 HE22 GLN 53 HE22 GLN 53 -3.724 -18.337 7.268 409 H ASP 54 HN ASP 54 -8.588 -12.572 7.838 410 HA ASP 54 HA ASP 54 -10.977 -13.157 9.437 411 HB2 ASP 54 HB2 ASP 54 -8.558 -13.620 10.548 412 HB3 ASP 54 HB3 ASP 54 -8.671 -11.921 10.929 413 H TYR 55 HN TYR 55 -10.201 -11.398 7.129 414 HA TYR 55 HA TYR 55 -10.146 -8.629 8.203 415 HB2 TYR 55 HB2 TYR 55 -8.981 -9.941 5.763 416 HB3 TYR 55 HB3 TYR 55 -9.437 -8.256 5.687 417 HD1 TYR 55 HD1 TYR 55 -7.694 -10.239 8.430 418 HD2 TYR 55 HD2 TYR 55 -7.581 -6.895 5.692 419 HE1 TYR 55 HE1 TYR 55 -5.667 -9.475 9.480 420 HE2 TYR 55 HE2 TYR 55 -5.490 -6.141 6.725 421 HH TYR 55 HH TYR 55 -4.283 -7.536 9.732 422 HA PRO 56 HA PRO 56 -14.323 -9.101 6.254 423 HB2 PRO 56 HB2 PRO 56 -15.836 -7.750 8.098 424 HB3 PRO 56 HB3 PRO 56 -15.312 -9.442 8.343 425 HG2 PRO 56 HG2 PRO 56 -13.962 -6.927 9.376 426 HG3 PRO 56 HG3 PRO 56 -14.440 -8.387 10.307 427 HD2 PRO 56 HD2 PRO 56 -11.909 -8.077 9.370 428 HD3 PRO 56 HD3 PRO 56 -12.714 -9.680 9.327 429 H GLU 57 HN GLU 57 -12.231 -6.452 6.853 430 HA GLU 57 HA GLU 57 -13.652 -4.936 4.764 431 HB2 GLU 57 HB2 GLU 57 -13.283 -3.975 7.598 432 HB3 GLU 57 HB3 GLU 57 -12.932 -2.820 6.324 433 HG2 GLU 57 HG2 GLU 57 -15.205 -3.486 5.274 434 HG3 GLU 57 HG3 GLU 57 -15.539 -4.258 6.829 435 HA PRO 58 HA PRO 58 -9.687 -4.129 3.142 436 HB2 PRO 58 HB2 PRO 58 -9.634 -1.451 2.657 437 HB3 PRO 58 HB3 PRO 58 -10.425 -2.662 1.606 438 HG2 PRO 58 HG2 PRO 58 -11.660 -0.879 3.720 439 HG3 PRO 58 HG3 PRO 58 -12.267 -1.240 2.072 440 HD2 PRO 58 HD2 PRO 58 -13.263 -2.543 4.185 441 HD3 PRO 58 HD3 PRO 58 -12.880 -3.456 2.700 442 HA PRO 59 HA PRO 59 -7.138 -3.049 6.483 443 HB2 PRO 59 HB2 PRO 59 -4.707 -2.596 5.291 444 HB3 PRO 59 HB3 PRO 59 -5.480 -4.215 5.456 445 HG2 PRO 59 HG2 PRO 59 -5.443 -2.445 3.036 446 HG3 PRO 59 HG3 PRO 59 -5.159 -4.218 3.151 447 HD2 PRO 59 HD2 PRO 59 -7.561 -3.178 2.452 448 HD3 PRO 59 HD3 PRO 59 -7.441 -4.664 3.433 449 H ASP 60 HN ASP 60 -7.504 -1.202 7.600 450 HA ASP 60 HA ASP 60 -7.268 1.412 6.302 451 HB2 ASP 60 HB2 ASP 60 -9.140 0.745 7.847 452 HB3 ASP 60 HB3 ASP 60 -7.992 0.890 9.194 453 H PHE 61 HN PHE 61 -5.102 1.793 5.941 454 HA PHE 61 HA PHE 61 -3.171 1.612 8.129 455 HB2 PHE 61 HB2 PHE 61 -2.870 3.010 5.457 456 HB3 PHE 61 HB3 PHE 61 -1.577 2.559 6.564 457 HD1 PHE 61 HD2 PHE 61 -0.975 0.089 6.867 458 HD2 PHE 61 HD1 PHE 61 -3.850 1.451 3.968 459 HE1 PHE 61 HE2 PHE 61 -0.923 -2.138 5.733 460 HE2 PHE 61 HE1 PHE 61 -3.836 -0.748 2.876 461 HZ PHE 61 HZ PHE 61 -2.449 -2.574 3.787 462 H ILE 62 HN ILE 62 -5.511 4.102 7.186 463 HA ILE 62 HA ILE 62 -3.622 6.240 7.954 464 HB ILE 62 HB ILE 62 -6.523 6.557 7.095 465 HG12 ILE 62 HG12 ILE 62 -4.046 6.875 5.342 466 HG13 ILE 62 HG13 ILE 62 -5.078 5.445 5.313 467 HG21 ILE 62 HG21 ILE 62 -4.175 8.522 7.210 468 HG22 ILE 62 HG22 ILE 62 -5.827 8.908 6.695 469 HG23 ILE 62 HG23 ILE 62 -5.520 8.470 8.364 470 HD11 ILE 62 HD11 ILE 62 -5.740 6.829 3.502 471 HD12 ILE 62 HD12 ILE 62 -7.037 6.859 4.706 472 HD13 ILE 62 HD13 ILE 62 -5.940 8.247 4.542 473 H ALA 63 HN ALA 63 -6.675 4.743 9.053 474 HA ALA 63 HA ALA 63 -6.722 6.408 11.496 475 HB1 ALA 63 HB1 ALA 63 -8.769 5.994 10.172 476 HB2 ALA 63 HB2 ALA 63 -8.585 4.253 10.470 477 HB3 ALA 63 HB3 ALA 63 -8.916 5.346 11.817 478 H SER 64 HN SER 64 -5.665 3.163 10.606 479 HA SER 64 HA SER 64 -5.310 2.430 13.466 480 HB2 SER 64 HB2 SER 64 -7.457 1.518 12.312 481 HB3 SER 64 HB3 SER 64 -6.360 0.455 11.424 482 HG SER 64 HG SER 64 -7.371 -0.093 13.625 483 H ARG 65 HN ARG 65 -3.983 0.005 13.131 484 HA ARG 65 HA ARG 65 -2.414 0.207 10.787 485 HB2 ARG 65 HB2 ARG 65 -0.141 0.244 11.861 486 HB3 ARG 65 HB3 ARG 65 -1.038 1.719 11.988 487 HG2 ARG 65 HG2 ARG 65 0.081 1.493 14.014 488 HG3 ARG 65 HG3 ARG 65 -1.597 1.106 14.409 489 HD2 ARG 65 HD2 ARG 65 -1.095 -1.248 14.440 490 HD3 ARG 65 HD3 ARG 65 0.495 -0.982 13.696 491 HE ARG 65 HE ARG 65 -0.159 0.010 16.424 492 HH11 ARG 65 HH11 ARG 65 1.937 -2.038 14.341 493 HH12 ARG 65 HH12 ARG 65 2.505 -2.976 15.671 494 HH21 ARG 65 HH21 ARG 65 0.846 -1.083 18.163 495 HH22 ARG 65 HH22 ARG 65 1.902 -2.386 17.891 496 HA PRO 66 HA PRO 66 -2.866 -4.114 12.606 497 HB2 PRO 66 HB2 PRO 66 -4.834 -5.144 10.957 498 HB3 PRO 66 HB3 PRO 66 -5.161 -4.354 12.531 499 HG2 PRO 66 HG2 PRO 66 -5.311 -3.134 9.742 500 HG3 PRO 66 HG3 PRO 66 -6.497 -3.026 11.064 501 HD2 PRO 66 HD2 PRO 66 -4.747 -1.020 10.676 502 HD3 PRO 66 HD3 PRO 66 -5.142 -1.570 12.320 503 H ALA 67 HN ALA 67 -3.494 -3.170 9.217 504 HA ALA 67 HA ALA 67 -2.223 -5.524 8.166 505 HB1 ALA 67 HB1 ALA 67 -3.181 -2.939 6.917 506 HB2 ALA 67 HB2 ALA 67 -2.570 -4.312 5.988 507 HB3 ALA 67 HB3 ALA 67 -4.023 -4.500 7.009 508 H THR 68 HN THR 68 -0.984 -2.377 9.136 509 HA THR 68 HA THR 68 1.249 -2.060 7.594 510 HB THR 68 HB THR 68 1.020 -1.689 10.614 511 HG1 THR 68 HG1 THR 68 -0.049 0.215 10.071 512 HG21 THR 68 HG21 THR 68 2.513 -0.147 8.460 513 HG22 THR 68 HG22 THR 68 3.220 -1.087 9.795 514 HG23 THR 68 HG23 THR 68 2.319 0.394 10.148 515 H VAL 69 HN VAL 69 0.867 -4.260 10.416 516 HA VAL 69 HA VAL 69 3.484 -5.386 10.439 517 HB VAL 69 HB VAL 69 0.805 -6.652 11.207 518 HG11 VAL 69 HG11 VAL 69 2.102 -7.992 12.799 519 HG12 VAL 69 HG12 VAL 69 2.674 -8.292 11.154 520 HG13 VAL 69 HG13 VAL 69 3.610 -7.238 12.234 521 HG21 VAL 69 HG21 VAL 69 2.599 -4.799 12.815 522 HG22 VAL 69 HG22 VAL 69 0.896 -4.554 12.375 523 HG23 VAL 69 HG23 VAL 69 1.326 -5.819 13.524 524 H LYS 70 HN LYS 70 0.454 -6.219 8.778 525 HA LYS 70 HA LYS 70 1.344 -8.720 7.780 526 HB2 LYS 70 HB2 LYS 70 -1.012 -7.757 8.287 527 HB3 LYS 70 HB3 LYS 70 -0.963 -7.075 6.667 528 HG2 LYS 70 HG2 LYS 70 -0.983 -9.223 5.667 529 HG3 LYS 70 HG3 LYS 70 -0.328 -10.000 7.108 530 HD2 LYS 70 HD2 LYS 70 -2.632 -9.274 8.231 531 HD3 LYS 70 HD3 LYS 70 -3.156 -9.056 6.571 532 HE2 LYS 70 HE2 LYS 70 -3.812 -11.229 7.334 533 HE3 LYS 70 HE3 LYS 70 -2.535 -11.465 6.131 534 HZ1 LYS 70 HZ1 LYS 70 -2.428 -12.794 8.286 535 HZ2 LYS 70 HZ2 LYS 70 -2.035 -11.435 9.051 536 HZ3 LYS 70 HZ3 LYS 70 -1.028 -12.032 7.871 537 H LEU 71 HN LEU 71 1.227 -5.448 6.305 538 HA LEU 71 HA LEU 71 2.224 -6.024 3.735 539 HB2 LEU 71 HB2 LEU 71 3.034 -3.686 5.513 540 HB3 LEU 71 HB3 LEU 71 3.320 -3.782 3.794 541 HG LEU 71 HG LEU 71 0.619 -3.637 5.042 542 HD11 LEU 71 HD11 LEU 71 0.709 -1.262 4.128 543 HD12 LEU 71 HD12 LEU 71 2.393 -1.552 3.717 544 HD13 LEU 71 HD13 LEU 71 1.891 -1.570 5.425 545 HD21 LEU 71 HD21 LEU 71 1.211 -3.068 2.166 546 HD22 LEU 71 HD22 LEU 71 -0.326 -3.142 2.972 547 HD23 LEU 71 HD23 LEU 71 0.587 -4.640 2.741 548 H THR 72 HN THR 72 4.044 -5.506 6.853 549 HA THR 72 HA THR 72 6.583 -5.552 5.622 550 HB THR 72 HB THR 72 5.554 -5.890 8.437 551 HG1 THR 72 HG1 THR 72 7.203 -3.890 7.375 552 HG21 THR 72 HG21 THR 72 7.869 -5.520 9.222 553 HG22 THR 72 HG22 THR 72 8.465 -5.801 7.569 554 HG23 THR 72 HG23 THR 72 7.644 -7.103 8.463 555 H ARG 73 HN ARG 73 4.497 -8.230 6.685 556 HA ARG 73 HA ARG 73 6.492 -10.217 6.645 557 HB2 ARG 73 HB2 ARG 73 3.620 -10.580 5.754 558 HB3 ARG 73 HB3 ARG 73 4.799 -11.842 6.147 559 HG2 ARG 73 HG2 ARG 73 5.034 -10.341 8.421 560 HG3 ARG 73 HG3 ARG 73 3.393 -9.898 7.962 561 HD2 ARG 73 HD2 ARG 73 3.211 -11.670 9.460 562 HD3 ARG 73 HD3 ARG 73 2.880 -12.383 7.865 563 HE ARG 73 HE ARG 73 5.305 -12.727 9.565 564 HH11 ARG 73 HH11 ARG 73 3.574 -13.873 6.575 565 HH12 ARG 73 HH12 ARG 73 4.625 -15.223 6.448 566 HH21 ARG 73 HH21 ARG 73 6.581 -14.534 9.269 567 HH22 ARG 73 HH22 ARG 73 6.217 -15.738 8.087 568 H SER 74 HN SER 74 4.886 -8.585 3.951 569 HA SER 74 HA SER 74 6.235 -10.195 1.894 570 HB2 SER 74 HB2 SER 74 4.309 -7.838 1.718 571 HB3 SER 74 HB3 SER 74 4.870 -8.828 0.368 572 HG SER 74 HG SER 74 3.013 -9.662 0.822 573 H ILE 75 HN ILE 75 7.264 -7.567 3.810 574 HA ILE 75 HA ILE 75 8.755 -6.324 1.545 575 HB ILE 75 HB ILE 75 8.222 -5.096 4.236 576 HG12 ILE 75 HG12 ILE 75 7.059 -4.116 1.598 577 HG13 ILE 75 HG13 ILE 75 6.192 -5.319 2.505 578 HG21 ILE 75 HG21 ILE 75 9.304 -3.818 1.671 579 HG22 ILE 75 HG22 ILE 75 9.213 -3.094 3.299 580 HG23 ILE 75 HG23 ILE 75 10.338 -4.400 2.964 581 HD11 ILE 75 HD11 ILE 75 7.099 -2.835 3.961 582 HD12 ILE 75 HD12 ILE 75 5.672 -2.790 2.917 583 HD13 ILE 75 HD13 ILE 75 5.738 -3.893 4.305 584 HA PRO 76 HA PRO 76 11.945 -8.826 3.836 585 HB2 PRO 76 HB2 PRO 76 13.382 -9.671 1.722 586 HB3 PRO 76 HB3 PRO 76 11.711 -10.249 1.911 587 HG2 PRO 76 HG2 PRO 76 12.481 -7.854 0.272 588 HG3 PRO 76 HG3 PRO 76 11.714 -9.377 -0.296 589 HD2 PRO 76 HD2 PRO 76 10.133 -7.343 0.489 590 HD3 PRO 76 HD3 PRO 76 9.764 -8.996 1.052 591 H ALA 77 HN ALA 77 14.536 -8.562 3.454 592 HA ALA 77 HA ALA 77 15.127 -5.901 4.275 593 HB1 ALA 77 HB1 ALA 77 17.407 -6.629 4.405 594 HB2 ALA 77 HB2 ALA 77 16.355 -7.917 5.019 595 HB3 ALA 77 HB3 ALA 77 17.072 -8.044 3.394 596 HA PRO 78 HA PRO 78 17.082 -5.140 -0.013 597 HB2 PRO 78 HB2 PRO 78 15.971 -6.297 -2.254 598 HB3 PRO 78 HB3 PRO 78 17.352 -6.986 -1.353 599 HG2 PRO 78 HG2 PRO 78 14.418 -7.691 -1.060 600 HG3 PRO 78 HG3 PRO 78 15.810 -8.808 -1.207 601 HD2 PRO 78 HD2 PRO 78 14.831 -8.309 1.154 602 HD3 PRO 78 HD3 PRO 78 16.604 -8.344 0.923 603 H TYR 79 HN TYR 79 13.703 -5.368 0.815 604 HA TYR 79 HA TYR 79 13.021 -3.392 -1.297 605 HB2 TYR 79 HB2 TYR 79 11.394 -5.516 0.080 606 HB3 TYR 79 HB3 TYR 79 10.757 -4.357 -1.083 607 HD1 TYR 79 HD2 TYR 79 13.572 -4.554 -2.805 608 HD2 TYR 79 HD1 TYR 79 10.593 -7.392 -1.460 609 HE1 TYR 79 HE2 TYR 79 13.983 -5.845 -4.707 610 HE2 TYR 79 HE1 TYR 79 10.961 -8.698 -3.491 611 HH TYR 79 HH TYR 79 13.295 -8.792 -5.482 612 H LYS 80 HN LYS 80 13.837 -3.126 1.764 613 HA LYS 80 HA LYS 80 11.618 -2.077 3.214 614 HB2 LYS 80 HB2 LYS 80 14.583 -1.402 3.557 615 HB3 LYS 80 HB3 LYS 80 13.302 -1.097 4.730 616 HG2 LYS 80 HG2 LYS 80 14.320 -3.811 3.824 617 HG3 LYS 80 HG3 LYS 80 14.613 -3.018 5.359 618 HD2 LYS 80 HD2 LYS 80 12.020 -3.102 5.684 619 HD3 LYS 80 HD3 LYS 80 12.022 -4.178 4.270 620 HE2 LYS 80 HE2 LYS 80 12.003 -5.552 6.233 621 HE3 LYS 80 HE3 LYS 80 13.548 -5.749 5.445 622 HZ1 LYS 80 HZ1 LYS 80 13.552 -5.422 7.907 623 HZ2 LYS 80 HZ2 LYS 80 13.206 -3.817 7.655 624 HZ3 LYS 80 HZ3 LYS 80 14.601 -4.449 7.089 625 H GLN 81 HN GLN 81 14.078 -0.342 1.221 626 HA GLN 81 HA GLN 81 12.503 2.122 1.558 627 HB2 GLN 81 HB2 GLN 81 14.452 3.456 1.743 628 HB3 GLN 81 HB3 GLN 81 14.240 2.293 3.073 629 HG2 GLN 81 HG2 GLN 81 15.777 0.810 2.200 630 HG3 GLN 81 HG3 GLN 81 15.891 1.649 0.654 631 HE21 GLN 81 HE21 GLN 81 18.115 0.949 2.641 632 HE22 GLN 81 HE22 GLN 81 18.914 2.496 2.839 633 H LEU 82 HN LEU 82 12.173 0.328 -0.690 634 HA LEU 82 HA LEU 82 13.634 1.183 -2.962 635 HB2 LEU 82 HB2 LEU 82 10.744 0.299 -2.961 636 HB3 LEU 82 HB3 LEU 82 11.810 0.382 -4.332 637 HG LEU 82 HG LEU 82 12.032 -1.518 -1.993 638 HD11 LEU 82 HD11 LEU 82 11.671 -3.244 -3.756 639 HD12 LEU 82 HD12 LEU 82 11.484 -1.973 -4.961 640 HD13 LEU 82 HD13 LEU 82 10.323 -2.110 -3.639 641 HD21 LEU 82 HD21 LEU 82 14.308 -1.014 -2.499 642 HD22 LEU 82 HD22 LEU 82 13.995 -1.013 -4.251 643 HD23 LEU 82 HD23 LEU 82 13.959 -2.521 -3.334 644 H LEU 83 HN LEU 83 11.083 2.735 -1.212 645 HA LEU 83 HA LEU 83 10.211 4.710 -3.007 646 HB2 LEU 83 HB2 LEU 83 10.530 4.506 -0.020 647 HB3 LEU 83 HB3 LEU 83 10.336 6.122 -0.663 648 HG LEU 83 HG LEU 83 8.384 3.849 -1.196 649 HD11 LEU 83 HD11 LEU 83 8.183 6.164 0.747 650 HD12 LEU 83 HD12 LEU 83 8.341 4.414 1.139 651 HD13 LEU 83 HD13 LEU 83 6.892 5.022 0.358 652 HD21 LEU 83 HD21 LEU 83 6.906 5.902 -1.813 653 HD22 LEU 83 HD22 LEU 83 8.124 5.407 -2.965 654 HD23 LEU 83 HD23 LEU 83 8.418 6.807 -1.934 655 H LYS 84 HN LYS 84 13.406 4.444 -1.535 656 HA LYS 84 HA LYS 84 14.076 7.157 -2.608 657 HB2 LYS 84 HB2 LYS 84 14.304 7.067 -0.229 658 HB3 LYS 84 HB3 LYS 84 15.318 5.598 -0.312 659 HG2 LYS 84 HG2 LYS 84 17.047 6.913 -1.551 660 HG3 LYS 84 HG3 LYS 84 15.951 8.273 -1.580 661 HD2 LYS 84 HD2 LYS 84 17.454 8.752 0.218 662 HD3 LYS 84 HD3 LYS 84 15.981 8.165 1.018 663 HE2 LYS 84 HE2 LYS 84 17.196 5.784 0.768 664 HE3 LYS 84 HE3 LYS 84 18.640 6.757 0.503 665 HZ1 LYS 84 HZ1 LYS 84 18.081 7.829 2.696 666 HZ2 LYS 84 HZ2 LYS 84 18.546 6.241 2.779 667 HZ3 LYS 84 HZ3 LYS 84 16.953 6.642 2.902 668 H GLU 85 HN GLU 85 15.374 3.950 -2.072 669 HA GLU 85 HA GLU 85 17.588 3.879 -3.677 670 HB2 GLU 85 HB2 GLU 85 15.564 1.698 -3.340 671 HB3 GLU 85 HB3 GLU 85 17.138 1.451 -4.063 672 HG2 GLU 85 HG2 GLU 85 16.920 2.722 -1.294 673 HG3 GLU 85 HG3 GLU 85 16.737 0.990 -1.541 674 H GLU 86 HN GLU 86 14.224 3.228 -4.865 675 HA GLU 86 HA GLU 86 15.087 3.099 -7.648 676 HB2 GLU 86 HB2 GLU 86 12.266 3.262 -6.523 677 HB3 GLU 86 HB3 GLU 86 12.721 2.782 -8.141 678 HG2 GLU 86 HG2 GLU 86 13.502 1.254 -5.617 679 HG3 GLU 86 HG3 GLU 86 12.042 0.951 -6.569 680 H LEU 87 HN LEU 87 12.837 5.165 -5.795 681 HA LEU 87 HA LEU 87 12.528 6.929 -8.065 682 HB2 LEU 87 HB2 LEU 87 11.430 7.444 -5.297 683 HB3 LEU 87 HB3 LEU 87 10.788 7.997 -6.812 684 HG LEU 87 HG LEU 87 10.755 5.084 -5.961 685 HD11 LEU 87 HD11 LEU 87 8.575 7.204 -5.717 686 HD12 LEU 87 HD12 LEU 87 9.553 6.587 -4.372 687 HD13 LEU 87 HD13 LEU 87 8.477 5.493 -5.245 688 HD21 LEU 87 HD21 LEU 87 9.171 4.788 -7.718 689 HD22 LEU 87 HD22 LEU 87 10.490 5.697 -8.450 690 HD23 LEU 87 HD23 LEU 87 8.993 6.544 -7.964 691 H GLY 88 HN GLY 88 14.405 7.151 -5.113 692 HA2 GLY 88 HA2 GLY 88 15.352 8.863 -3.953 693 HA3 GLY 88 HA1 GLY 88 15.275 9.837 -5.420 694 H PHE 89 HN PHE 89 12.524 8.397 -3.451 695 HA PHE 89 HA PHE 89 11.720 11.133 -2.696 696 HB2 PHE 89 HB2 PHE 89 9.792 9.780 -3.117 697 HB3 PHE 89 HB3 PHE 89 10.436 8.466 -2.149 698 HD1 PHE 89 HD1 PHE 89 10.141 12.170 -1.330 699 HD2 PHE 89 HD2 PHE 89 9.093 8.113 -0.308 700 HE1 PHE 89 HE1 PHE 89 9.154 12.949 0.804 701 HE2 PHE 89 HE2 PHE 89 7.980 8.915 1.735 702 HZ PHE 89 HZ PHE 89 7.958 11.319 2.283 703 H ALA 90 HN ALA 90 13.046 11.955 -1.302 704 HA ALA 90 HA ALA 90 12.837 10.777 1.348 705 HB1 ALA 90 HB1 ALA 90 15.120 10.235 0.866 706 HB2 ALA 90 HB2 ALA 90 15.455 11.912 0.361 707 HB3 ALA 90 HB3 ALA 90 15.030 11.575 2.048 708 H GLY 91 HN GLY 91 11.666 12.494 2.389 709 HA2 GLY 91 HA2 GLY 91 12.581 15.173 2.101 710 HA3 GLY 91 HA1 GLY 91 11.122 14.970 1.127 711 H TYR 92 HN TYR 92 10.157 13.102 3.319 712 HA TYR 92 HA TYR 92 8.915 15.081 4.993 713 HB2 TYR 92 HB2 TYR 92 9.004 12.094 5.473 714 HB3 TYR 92 HB3 TYR 92 8.092 13.244 6.431 715 HD1 TYR 92 HD2 TYR 92 7.873 14.466 3.123 716 HD2 TYR 92 HD1 TYR 92 6.287 11.411 5.732 717 HE1 TYR 92 HE2 TYR 92 6.186 13.935 1.455 718 HE2 TYR 92 HE1 TYR 92 4.590 10.844 4.011 719 HH TYR 92 HH TYR 92 3.507 12.590 1.834 720 H SER 93 HN SER 93 10.288 16.309 6.021 721 HA SER 93 HA SER 93 12.520 15.568 7.719 722 HB2 SER 93 HB2 SER 93 10.689 17.949 7.752 723 HB3 SER 93 HB3 SER 93 12.114 17.801 8.768 724 HG SER 93 HG SER 93 13.274 18.446 7.252 725 H ILE 94 HN ILE 94 12.429 15.887 10.067 726 HA ILE 94 HA ILE 94 10.687 14.077 11.288 727 HB ILE 94 HB ILE 94 12.769 14.527 12.259 728 HG12 ILE 94 HG12 ILE 94 12.159 14.915 14.638 729 HG13 ILE 94 HG13 ILE 94 10.574 15.485 14.163 730 HG21 ILE 94 HG21 ILE 94 13.115 16.863 11.677 731 HG22 ILE 94 HG22 ILE 94 11.859 17.366 12.832 732 HG23 ILE 94 HG23 ILE 94 13.356 16.622 13.407 733 HD11 ILE 94 HD11 ILE 94 10.518 13.166 14.939 734 HD12 ILE 94 HD12 ILE 94 10.036 13.212 13.239 735 HD13 ILE 94 HD13 ILE 94 11.676 12.672 13.682 736 H ASN 95 HN ASN 95 10.389 17.593 11.198 737 HA ASN 95 HA ASN 95 8.043 17.687 12.815 738 HB2 ASN 95 HB2 ASN 95 8.805 19.652 10.605 739 HB3 ASN 95 HB3 ASN 95 7.699 19.947 11.945 740 HD21 ASN 95 HD21 ASN 95 10.607 20.992 11.025 741 HD22 ASN 95 HD22 ASN 95 11.446 20.942 12.565 742 H GLU 96 HN GLU 96 8.454 16.538 9.605 743 HA GLU 96 HA GLU 96 5.657 16.960 8.774 744 HB2 GLU 96 HB2 GLU 96 8.144 16.269 7.155 745 HB3 GLU 96 HB3 GLU 96 6.546 16.578 6.513 746 HG2 GLU 96 HG2 GLU 96 8.264 18.662 7.933 747 HG3 GLU 96 HG3 GLU 96 8.108 18.419 6.196 748 H LEU 97 HN LEU 97 6.949 14.705 10.686 749 HA LEU 97 HA LEU 97 6.063 12.411 9.102 750 HB2 LEU 97 HB2 LEU 97 8.338 13.046 10.995 751 HB3 LEU 97 HB3 LEU 97 7.716 11.462 11.061 752 HG LEU 97 HG LEU 97 8.856 12.829 8.586 753 HD11 LEU 97 HD11 LEU 97 10.733 11.313 8.816 754 HD12 LEU 97 HD12 LEU 97 10.000 10.578 10.277 755 HD13 LEU 97 HD13 LEU 97 10.552 12.268 10.292 756 HD21 LEU 97 HD21 LEU 97 7.230 11.102 7.880 757 HD22 LEU 97 HD22 LEU 97 8.090 9.906 8.894 758 HD23 LEU 97 HD23 LEU 97 8.883 10.639 7.495 759 H VAL 98 HN VAL 98 3.943 13.211 9.747 760 HA VAL 98 HA VAL 98 3.164 12.461 12.518 761 HB VAL 98 HB VAL 98 1.046 13.646 11.930 762 HG11 VAL 98 HG11 VAL 98 3.581 15.259 11.440 763 HG12 VAL 98 HG12 VAL 98 1.971 15.907 11.876 764 HG13 VAL 98 HG13 VAL 98 2.835 14.859 13.007 765 HG21 VAL 98 HG21 VAL 98 1.129 13.365 9.397 766 HG22 VAL 98 HG22 VAL 98 0.835 15.015 9.946 767 HG23 VAL 98 HG23 VAL 98 2.446 14.551 9.392 768 HA PRO 99 HA PRO 99 1.085 8.823 10.934 769 HB2 PRO 99 HB2 PRO 99 -1.322 8.860 12.360 770 HB3 PRO 99 HB3 PRO 99 0.216 8.095 12.827 771 HG2 PRO 99 HG2 PRO 99 -0.910 10.715 13.720 772 HG3 PRO 99 HG3 PRO 99 0.095 9.571 14.630 773 HD2 PRO 99 HD2 PRO 99 1.096 11.887 13.541 774 HD3 PRO 99 HD3 PRO 99 2.070 10.396 13.703 775 H ARG 100 HN ARG 100 -0.559 12.022 10.693 776 HA ARG 100 HA ARG 100 -2.332 11.017 8.645 777 HB2 ARG 100 HB2 ARG 100 -1.436 13.784 9.546 778 HB3 ARG 100 HB3 ARG 100 -2.180 13.626 7.976 779 HG2 ARG 100 HG2 ARG 100 -3.995 12.187 9.414 780 HG3 ARG 100 HG3 ARG 100 -3.407 13.256 10.681 781 HD2 ARG 100 HD2 ARG 100 -5.341 14.218 9.608 782 HD3 ARG 100 HD3 ARG 100 -3.930 15.224 9.246 783 HE ARG 100 HE ARG 100 -5.239 13.211 7.467 784 HH11 ARG 100 HH11 ARG 100 -3.346 16.293 7.628 785 HH12 ARG 100 HH12 ARG 100 -3.776 16.712 6.015 786 HH21 ARG 100 HH21 ARG 100 -5.519 13.746 5.326 787 HH22 ARG 100 HH22 ARG 100 -5.010 15.244 4.632 788 H LYS 101 HN LYS 101 1.006 11.122 8.349 789 HA LYS 101 HA LYS 101 0.654 11.040 5.390 790 HB2 LYS 101 HB2 LYS 101 2.241 12.705 4.908 791 HB3 LYS 101 HB3 LYS 101 1.116 13.326 6.115 792 HG2 LYS 101 HG2 LYS 101 2.936 12.735 7.849 793 HG3 LYS 101 HG3 LYS 101 4.036 12.638 6.469 794 HD2 LYS 101 HD2 LYS 101 2.188 14.979 7.062 795 HD3 LYS 101 HD3 LYS 101 3.801 14.952 7.658 796 HE2 LYS 101 HE2 LYS 101 2.910 15.123 4.757 797 HE3 LYS 101 HE3 LYS 101 3.670 16.372 5.759 798 HZ1 LYS 101 HZ1 LYS 101 5.565 14.732 5.918 799 HZ2 LYS 101 HZ2 LYS 101 5.346 15.611 4.534 800 HZ3 LYS 101 HZ3 LYS 101 4.932 14.011 4.573 801 H THR 102 HN THR 102 2.631 10.291 8.179 802 HA THR 102 HA THR 102 4.574 8.696 6.821 803 HB THR 102 HB THR 102 4.664 7.328 8.899 804 HG1 THR 102 HG1 THR 102 3.529 8.099 10.680 805 HG21 THR 102 HG21 THR 102 4.696 10.349 9.287 806 HG22 THR 102 HG22 THR 102 5.989 9.329 8.624 807 HG23 THR 102 HG23 THR 102 5.522 9.162 10.320 808 H ARG 103 HN ARG 103 1.156 7.951 7.744 809 HA ARG 103 HA ARG 103 1.294 5.240 6.941 810 HB2 ARG 103 HB2 ARG 103 -1.130 7.071 6.890 811 HB3 ARG 103 HB3 ARG 103 -1.158 5.312 6.893 812 HG2 ARG 103 HG2 ARG 103 0.034 7.011 9.141 813 HG3 ARG 103 HG3 ARG 103 -1.613 6.427 9.122 814 HD2 ARG 103 HD2 ARG 103 -0.910 4.635 10.199 815 HD3 ARG 103 HD3 ARG 103 -0.073 4.108 8.743 816 HE ARG 103 HE ARG 103 1.965 5.143 9.543 817 HH11 ARG 103 HH11 ARG 103 -0.556 4.873 12.164 818 HH12 ARG 103 HH12 ARG 103 0.685 5.098 13.353 819 HH21 ARG 103 HH21 ARG 103 3.354 5.525 11.195 820 HH22 ARG 103 HH22 ARG 103 2.830 5.529 12.863 821 H ARG 104 HN ARG 104 0.255 8.084 4.915 822 HA ARG 104 HA ARG 104 -0.006 6.806 2.451 823 HB2 ARG 104 HB2 ARG 104 0.984 9.539 3.258 824 HB3 ARG 104 HB3 ARG 104 1.187 9.044 1.584 825 HG2 ARG 104 HG2 ARG 104 -1.142 8.817 1.210 826 HG3 ARG 104 HG3 ARG 104 -1.489 8.771 2.927 827 HD2 ARG 104 HD2 ARG 104 -2.220 10.891 2.186 828 HD3 ARG 104 HD3 ARG 104 -0.741 11.186 3.101 829 HE ARG 104 HE ARG 104 -0.467 10.880 0.186 830 HH11 ARG 104 HH11 ARG 104 -1.496 13.298 2.611 831 HH12 ARG 104 HH12 ARG 104 -1.288 14.602 1.515 832 HH21 ARG 104 HH21 ARG 104 0.004 12.619 -1.117 833 HH22 ARG 104 HH22 ARG 104 -0.553 14.217 -0.691 834 H ALA 105 HN ALA 105 3.116 7.932 3.871 835 HA ALA 105 HA ALA 105 4.719 6.866 1.705 836 HB1 ALA 105 HB1 ALA 105 5.451 7.733 4.506 837 HB2 ALA 105 HB2 ALA 105 6.585 7.394 3.168 838 HB3 ALA 105 HB3 ALA 105 5.434 8.738 3.037 839 H THR 106 HN THR 106 3.275 5.243 4.499 840 HA THR 106 HA THR 106 5.198 3.045 4.453 841 HB THR 106 HB THR 106 2.544 3.454 5.885 842 HG1 THR 106 HG1 THR 106 5.218 3.611 6.854 843 HG21 THR 106 HG21 THR 106 3.289 1.705 7.444 844 HG22 THR 106 HG22 THR 106 4.676 1.347 6.396 845 HG23 THR 106 HG23 THR 106 3.018 1.053 5.824 846 H MET 107 HN MET 107 1.780 3.589 3.321 847 HA MET 107 HA MET 107 1.499 0.928 2.269 848 HB2 MET 107 HB2 MET 107 -0.267 1.883 0.832 849 HB3 MET 107 HB3 MET 107 -0.497 2.176 2.558 850 HG2 MET 107 HG2 MET 107 0.193 4.483 2.293 851 HG3 MET 107 HG3 MET 107 0.647 4.213 0.612 852 HE1 MET 107 HE1 MET 107 -2.890 2.767 1.986 853 HE2 MET 107 HE2 MET 107 -2.355 4.051 3.110 854 HE3 MET 107 HE3 MET 107 -3.750 4.316 2.044 855 H THR 108 HN THR 108 2.915 3.940 0.886 856 HA THR 108 HA THR 108 3.123 2.951 -1.769 857 HB THR 108 HB THR 108 5.191 4.780 -1.479 858 HG1 THR 108 HG1 THR 108 3.292 5.694 0.308 859 HG21 THR 108 HG21 THR 108 3.194 4.912 -3.048 860 HG22 THR 108 HG22 THR 108 3.654 6.453 -2.299 861 HG23 THR 108 HG23 THR 108 2.246 5.525 -1.691 862 H ASN 109 HN ASN 109 5.401 2.742 0.957 863 HA ASN 109 HA ASN 109 7.558 1.532 -0.346 864 HB2 ASN 109 HB2 ASN 109 8.102 2.021 1.832 865 HB3 ASN 109 HB3 ASN 109 6.483 1.645 2.436 866 HD21 ASN 109 HD21 ASN 109 9.264 -0.263 1.062 867 HD22 ASN 109 HD22 ASN 109 9.042 -1.555 2.210 868 H TRP 110 HN TRP 110 4.622 -0.128 0.944 869 HA TRP 110 HA TRP 110 5.492 -2.750 0.141 870 HB2 TRP 110 HB2 TRP 110 3.754 -2.423 1.827 871 HB3 TRP 110 HB3 TRP 110 2.726 -1.628 0.652 872 HD1 TRP 110 HD1 TRP 110 3.656 -5.070 1.915 873 HE1 TRP 110 HE1 TRP 110 2.174 -6.841 0.746 874 HE3 TRP 110 HE3 TRP 110 1.294 -2.077 -1.503 875 HZ2 TRP 110 HZ2 TRP 110 -0.014 -6.860 -1.139 876 HZ3 TRP 110 HZ3 TRP 110 -0.594 -2.971 -2.845 877 HH2 TRP 110 HH2 TRP 110 -1.249 -5.346 -2.663 878 H LEU 111 HN LEU 111 3.819 -0.114 -1.657 879 HA LEU 111 HA LEU 111 2.777 -1.858 -3.688 880 HB2 LEU 111 HB2 LEU 111 3.392 1.130 -3.724 881 HB3 LEU 111 HB3 LEU 111 2.715 0.282 -5.104 882 HG LEU 111 HG LEU 111 1.367 0.262 -2.378 883 HD11 LEU 111 HD11 LEU 111 1.506 2.601 -3.176 884 HD12 LEU 111 HD12 LEU 111 -0.152 1.998 -3.260 885 HD13 LEU 111 HD13 LEU 111 0.823 2.120 -4.739 886 HD21 LEU 111 HD21 LEU 111 0.167 -0.194 -5.140 887 HD22 LEU 111 HD22 LEU 111 -0.613 -0.433 -3.573 888 HD23 LEU 111 HD23 LEU 111 0.691 -1.517 -4.086 889 H LEU 112 HN LEU 112 5.830 -0.017 -3.446 890 HA LEU 112 HA LEU 112 6.895 -0.860 -5.975 891 HB2 LEU 112 HB2 LEU 112 8.472 -0.298 -3.449 892 HB3 LEU 112 HB3 LEU 112 9.105 -0.323 -5.070 893 HG LEU 112 HG LEU 112 6.922 1.601 -4.975 894 HD11 LEU 112 HD11 LEU 112 7.779 3.116 -3.295 895 HD12 LEU 112 HD12 LEU 112 9.127 2.018 -2.932 896 HD13 LEU 112 HD13 LEU 112 7.469 1.545 -2.559 897 HD21 LEU 112 HD21 LEU 112 8.756 1.765 -6.625 898 HD22 LEU 112 HD22 LEU 112 9.929 2.025 -5.329 899 HD23 LEU 112 HD23 LEU 112 8.654 3.218 -5.661 900 H ALA 113 HN ALA 113 7.251 -2.247 -2.672 901 HA ALA 113 HA ALA 113 8.992 -4.386 -3.353 902 HB1 ALA 113 HB1 ALA 113 8.323 -5.341 -1.219 903 HB2 ALA 113 HB2 ALA 113 8.491 -3.588 -1.024 904 HB3 ALA 113 HB3 ALA 113 6.878 -4.326 -1.156 905 H TYR 114 HN TYR 114 5.429 -4.247 -3.343 906 HA TYR 114 HA TYR 114 4.944 -6.981 -3.978 907 HB2 TYR 114 HB2 TYR 114 3.160 -5.734 -3.025 908 HB3 TYR 114 HB3 TYR 114 3.376 -4.389 -4.147 909 HD1 TYR 114 HD2 TYR 114 2.537 -8.066 -4.237 910 HD2 TYR 114 HD1 TYR 114 1.989 -4.166 -5.988 911 HE1 TYR 114 HE2 TYR 114 0.913 -9.026 -5.819 912 HE2 TYR 114 HE1 TYR 114 0.273 -5.106 -7.546 913 HH TYR 114 HH TYR 114 -0.167 -8.538 -7.913 914 H ARG 115 HN ARG 115 5.268 -4.037 -6.051 915 HA ARG 115 HA ARG 115 4.794 -5.426 -8.519 916 HB2 ARG 115 HB2 ARG 115 4.905 -2.917 -8.179 917 HB3 ARG 115 HB3 ARG 115 6.658 -3.035 -7.963 918 HG2 ARG 115 HG2 ARG 115 6.683 -4.192 -10.278 919 HG3 ARG 115 HG3 ARG 115 5.050 -3.537 -10.482 920 HD2 ARG 115 HD2 ARG 115 6.395 -1.879 -11.458 921 HD3 ARG 115 HD3 ARG 115 6.186 -1.264 -9.826 922 HE ARG 115 HE ARG 115 8.402 -1.512 -9.413 923 HH11 ARG 115 HH11 ARG 115 7.770 -3.347 -12.453 924 HH12 ARG 115 HH12 ARG 115 9.490 -3.573 -12.721 925 HH21 ARG 115 HH21 ARG 115 10.637 -1.654 -10.093 926 HH22 ARG 115 HH22 ARG 115 11.014 -2.732 -11.428 927 H ARG 116 HN ARG 116 7.938 -4.683 -6.774 928 HA ARG 116 HA ARG 116 9.532 -5.450 -8.771 929 HB2 ARG 116 HB2 ARG 116 9.861 -3.786 -7.062 930 HB3 ARG 116 HB3 ARG 116 9.597 -4.949 -5.760 931 HG2 ARG 116 HG2 ARG 116 11.907 -4.460 -5.985 932 HG3 ARG 116 HG3 ARG 116 11.406 -6.126 -6.298 933 HD2 ARG 116 HD2 ARG 116 11.724 -5.876 -8.673 934 HD3 ARG 116 HD3 ARG 116 11.956 -4.119 -8.525 935 HE ARG 116 HE ARG 116 13.967 -5.364 -7.051 936 HH11 ARG 116 HH11 ARG 116 12.934 -5.183 -10.448 937 HH12 ARG 116 HH12 ARG 116 14.539 -4.982 -11.053 938 HH21 ARG 116 HH21 ARG 116 16.056 -5.267 -7.829 939 HH22 ARG 116 HH22 ARG 116 16.416 -5.217 -9.510 940 H SER 117 HN SER 117 8.383 -7.187 -5.830 941 HA SER 117 HA SER 117 10.065 -9.393 -5.958 942 HB2 SER 117 HB2 SER 117 8.556 -10.411 -4.443 943 HB3 SER 117 HB3 SER 117 8.410 -8.638 -4.262 944 HG SER 117 HG SER 117 6.579 -10.420 -5.474 945 H GLN 118 HN GLN 118 7.323 -8.719 -7.873 946 HA GLN 118 HA GLN 118 6.687 -11.282 -8.925 947 HB2 GLN 118 HB2 GLN 118 6.423 -8.627 -10.322 948 HB3 GLN 118 HB3 GLN 118 5.694 -10.126 -10.888 949 HG2 GLN 118 HG2 GLN 118 4.229 -10.294 -9.046 950 HG3 GLN 118 HG3 GLN 118 5.099 -9.076 -8.110 951 HE21 GLN 118 HE21 GLN 118 3.035 -8.076 -7.851 952 HE22 GLN 118 HE22 GLN 118 2.365 -7.050 -9.144 953 H GLN 119 HN GLN 119 9.524 -9.407 -9.650 954 HA GLN 119 HA GLN 119 10.019 -10.924 -12.151 955 HB2 GLN 119 HB2 GLN 119 10.900 -8.929 -13.068 956 HB3 GLN 119 HB3 GLN 119 9.394 -8.466 -12.354 957 HG2 GLN 119 HG2 GLN 119 11.455 -8.079 -10.345 958 HG3 GLN 119 HG3 GLN 119 12.162 -7.596 -11.851 959 HE21 GLN 119 HE21 GLN 119 8.659 -7.109 -10.989 960 HE22 GLN 119 HE22 GLN 119 8.806 -5.360 -11.070 961 H ASP 120 HN ASP 120 10.856 -11.082 -9.238 962 HA ASP 120 HA ASP 120 13.562 -10.166 -8.903 963 HB2 ASP 120 HB2 ASP 120 11.752 -10.044 -7.255 964 HB3 ASP 120 HB3 ASP 120 11.600 -11.807 -7.287 Start of MODEL 11 1 H1 MET 1 HN MET 1 -4.177 -9.721 -7.110 2 HA MET 1 HA MET 1 -5.678 -10.608 -8.827 3 HB2 MET 1 HB2 MET 1 -7.190 -9.277 -10.002 4 HB3 MET 1 HB3 MET 1 -7.451 -8.934 -8.294 5 HG2 MET 1 HG2 MET 1 -6.286 -6.853 -8.413 6 HG3 MET 1 HG3 MET 1 -5.849 -7.140 -10.092 7 HE1 MET 1 HE1 MET 1 -7.737 -4.622 -8.690 8 HE2 MET 1 HE2 MET 1 -9.440 -5.109 -8.555 9 HE3 MET 1 HE3 MET 1 -8.184 -5.975 -7.614 10 H GLY 2 HN GLY 2 -2.798 -9.359 -8.585 11 HA2 GLY 2 HA2 GLY 2 -1.097 -8.727 -9.978 12 HA3 GLY 2 HA1 GLY 2 -1.928 -9.721 -11.175 13 H ILE 3 HN ILE 3 -2.198 -6.495 -9.675 14 HA ILE 3 HA ILE 3 -3.133 -5.319 -12.226 15 HB ILE 3 HB ILE 3 -2.541 -3.890 -9.615 16 HG12 ILE 3 HG12 ILE 3 -5.191 -5.048 -10.509 17 HG13 ILE 3 HG13 ILE 3 -4.202 -5.618 -9.152 18 HG21 ILE 3 HG21 ILE 3 -2.775 -2.438 -11.689 19 HG22 ILE 3 HG22 ILE 3 -4.416 -3.073 -11.875 20 HG23 ILE 3 HG23 ILE 3 -3.956 -2.097 -10.465 21 HD11 ILE 3 HD11 ILE 3 -4.406 -3.208 -8.224 22 HD12 ILE 3 HD12 ILE 3 -5.740 -3.023 -9.390 23 HD13 ILE 3 HD13 ILE 3 -5.806 -4.279 -8.156 24 H THR 4 HN THR 4 -1.891 -3.664 -13.208 25 HA THR 4 HA THR 4 0.994 -3.831 -13.182 26 HB THR 4 HB THR 4 -0.861 -1.665 -14.268 27 HG1 THR 4 HG1 THR 4 -0.845 -2.817 -16.205 28 HG21 THR 4 HG21 THR 4 1.896 -2.561 -15.231 29 HG22 THR 4 HG22 THR 4 1.573 -1.110 -14.250 30 HG23 THR 4 HG23 THR 4 0.903 -1.232 -15.880 31 H ILE 5 HN ILE 5 2.351 -2.612 -11.744 32 HA ILE 5 HA ILE 5 1.185 -0.109 -10.670 33 HB ILE 5 HB ILE 5 3.481 -1.758 -9.597 34 HG12 ILE 5 HG12 ILE 5 1.263 -2.826 -9.154 35 HG13 ILE 5 HG13 ILE 5 2.232 -2.417 -7.759 36 HG21 ILE 5 HG21 ILE 5 2.303 0.873 -8.639 37 HG22 ILE 5 HG22 ILE 5 3.376 -0.173 -7.640 38 HG23 ILE 5 HG23 ILE 5 3.952 0.522 -9.168 39 HD11 ILE 5 HD11 ILE 5 -0.159 -1.963 -7.389 40 HD12 ILE 5 HD12 ILE 5 0.775 -0.463 -7.297 41 HD13 ILE 5 HD13 ILE 5 -0.168 -0.834 -8.763 42 H THR 6 HN THR 6 2.130 1.723 -11.259 43 HA THR 6 HA THR 6 4.739 1.531 -12.668 44 HB THR 6 HB THR 6 3.966 3.712 -13.754 45 HG1 THR 6 HG1 THR 6 1.888 3.838 -14.238 46 HG21 THR 6 HG21 THR 6 2.704 1.042 -14.492 47 HG22 THR 6 HG22 THR 6 4.360 1.567 -14.906 48 HG23 THR 6 HG23 THR 6 2.972 2.411 -15.613 49 H ASP 7 HN ASP 7 6.311 2.799 -12.048 50 HA ASP 7 HA ASP 7 6.603 3.834 -9.530 51 HB2 ASP 7 HB2 ASP 7 7.983 4.058 -12.171 52 HB3 ASP 7 HB3 ASP 7 8.564 5.009 -10.827 53 H GLU 8 HN GLU 8 5.367 5.375 -12.451 54 HA GLU 8 HA GLU 8 5.454 8.105 -11.526 55 HB2 GLU 8 HB2 GLU 8 3.771 6.499 -13.426 56 HB3 GLU 8 HB3 GLU 8 3.535 8.249 -13.260 57 HG2 GLU 8 HG2 GLU 8 6.118 6.891 -14.138 58 HG3 GLU 8 HG3 GLU 8 4.897 7.506 -15.241 59 H LEU 9 HN LEU 9 3.036 5.493 -11.317 60 HA LEU 9 HA LEU 9 1.037 7.106 -9.967 61 HB2 LEU 9 HB2 LEU 9 1.228 4.486 -11.191 62 HB3 LEU 9 HB3 LEU 9 0.760 4.229 -9.560 63 HG LEU 9 HG LEU 9 -0.678 6.328 -11.196 64 HD11 LEU 9 HD11 LEU 9 -1.484 3.413 -11.052 65 HD12 LEU 9 HD12 LEU 9 -0.669 4.150 -12.435 66 HD13 LEU 9 HD13 LEU 9 -2.282 4.701 -11.935 67 HD21 LEU 9 HD21 LEU 9 -1.049 6.297 -8.719 68 HD22 LEU 9 HD22 LEU 9 -1.547 4.598 -8.831 69 HD23 LEU 9 HD23 LEU 9 -2.516 5.862 -9.613 70 H LEU 10 HN LEU 10 3.748 5.179 -9.014 71 HA LEU 10 HA LEU 10 3.118 4.989 -6.191 72 HB2 LEU 10 HB2 LEU 10 5.687 4.763 -7.772 73 HB3 LEU 10 HB3 LEU 10 5.636 4.621 -6.026 74 HG LEU 10 HG LEU 10 3.765 2.897 -7.695 75 HD11 LEU 10 HD11 LEU 10 6.739 2.557 -7.465 76 HD12 LEU 10 HD12 LEU 10 5.635 2.163 -8.788 77 HD13 LEU 10 HD13 LEU 10 5.681 1.109 -7.411 78 HD21 LEU 10 HD21 LEU 10 5.088 2.675 -4.975 79 HD22 LEU 10 HD22 LEU 10 4.195 1.366 -5.769 80 HD23 LEU 10 HD23 LEU 10 3.363 2.871 -5.340 81 H TRP 11 HN TRP 11 5.134 7.217 -8.190 82 HA TRP 11 HA TRP 11 5.957 8.924 -6.149 83 HB2 TRP 11 HB2 TRP 11 5.645 9.217 -9.101 84 HB3 TRP 11 HB3 TRP 11 5.754 10.689 -8.144 85 HD1 TRP 11 HD1 TRP 11 7.945 8.305 -9.781 86 HE1 TRP 11 HE1 TRP 11 10.349 8.530 -9.022 87 HE3 TRP 11 HE3 TRP 11 7.096 11.065 -5.594 88 HZ2 TRP 11 HZ2 TRP 11 11.660 9.347 -6.513 89 HZ3 TRP 11 HZ3 TRP 11 8.940 11.469 -3.963 90 HH2 TRP 11 HH2 TRP 11 11.226 10.630 -4.439 91 H ALA 12 HN ALA 12 3.000 9.127 -8.077 92 HA ALA 12 HA ALA 12 1.956 11.510 -7.266 93 HB1 ALA 12 HB1 ALA 12 -0.235 10.516 -7.840 94 HB2 ALA 12 HB2 ALA 12 1.025 9.992 -8.970 95 HB3 ALA 12 HB3 ALA 12 0.454 8.890 -7.692 96 H ILE 13 HN ILE 13 2.052 8.554 -5.263 97 HA ILE 13 HA ILE 13 0.157 9.472 -3.322 98 HB ILE 13 HB ILE 13 2.277 7.335 -3.181 99 HG12 ILE 13 HG12 ILE 13 -0.673 6.716 -3.230 100 HG13 ILE 13 HG13 ILE 13 -0.031 7.354 -4.738 101 HG21 ILE 13 HG21 ILE 13 0.040 8.050 -1.240 102 HG22 ILE 13 HG22 ILE 13 0.841 6.472 -1.261 103 HG23 ILE 13 HG23 ILE 13 1.786 7.926 -0.906 104 HD11 ILE 13 HD11 ILE 13 1.731 5.670 -4.756 105 HD12 ILE 13 HD12 ILE 13 1.062 4.945 -3.275 106 HD13 ILE 13 HD13 ILE 13 0.115 4.960 -4.793 107 H LEU 14 HN LEU 14 3.844 9.595 -3.494 108 HA LEU 14 HA LEU 14 4.142 10.729 -0.936 109 HB2 LEU 14 HB2 LEU 14 5.912 11.012 -3.410 110 HB3 LEU 14 HB3 LEU 14 6.351 11.399 -1.765 111 HG LEU 14 HG LEU 14 7.385 9.430 -2.133 112 HD11 LEU 14 HD11 LEU 14 6.363 7.679 -0.774 113 HD12 LEU 14 HD12 LEU 14 4.799 8.484 -0.868 114 HD13 LEU 14 HD13 LEU 14 6.191 9.281 -0.025 115 HD21 LEU 14 HD21 LEU 14 5.015 8.091 -3.392 116 HD22 LEU 14 HD22 LEU 14 6.636 7.409 -3.118 117 HD23 LEU 14 HD23 LEU 14 6.466 8.746 -4.207 118 H LYS 15 HN LYS 15 3.755 12.224 -4.164 119 HA LYS 15 HA LYS 15 4.527 14.836 -3.533 120 HB2 LYS 15 HB2 LYS 15 2.456 13.905 -5.559 121 HB3 LYS 15 HB3 LYS 15 3.210 15.504 -5.544 122 HG2 LYS 15 HG2 LYS 15 4.714 12.871 -5.853 123 HG3 LYS 15 HG3 LYS 15 4.099 13.809 -7.189 124 HD2 LYS 15 HD2 LYS 15 5.541 15.725 -6.487 125 HD3 LYS 15 HD3 LYS 15 6.172 14.694 -5.172 126 HE2 LYS 15 HE2 LYS 15 6.770 12.972 -6.962 127 HE3 LYS 15 HE3 LYS 15 6.313 14.161 -8.178 128 HZ1 LYS 15 HZ1 LYS 15 8.094 15.554 -7.466 129 HZ2 LYS 15 HZ2 LYS 15 8.656 14.045 -7.770 130 HZ3 LYS 15 HZ3 LYS 15 8.485 14.539 -6.193 131 H ASP 16 HN ASP 16 1.173 14.678 -4.431 132 HA ASP 16 HA ASP 16 -0.235 14.984 -2.018 133 HB2 ASP 16 HB2 ASP 16 -0.853 17.270 -2.278 134 HB3 ASP 16 HB3 ASP 16 0.825 17.126 -1.836 135 H GLU 17 HN GLU 17 -0.161 13.728 -4.905 136 HA GLU 17 HA GLU 17 -2.449 14.877 -6.250 137 HB2 GLU 17 HB2 GLU 17 -1.349 12.082 -6.709 138 HB3 GLU 17 HB3 GLU 17 -2.239 13.098 -7.821 139 HG2 GLU 17 HG2 GLU 17 0.626 13.360 -6.860 140 HG3 GLU 17 HG3 GLU 17 0.059 12.942 -8.488 141 H LEU 18 HN LEU 18 -1.793 11.720 -4.766 142 HA LEU 18 HA LEU 18 -4.541 10.925 -4.547 143 HB2 LEU 18 HB2 LEU 18 -1.958 9.895 -3.363 144 HB3 LEU 18 HB3 LEU 18 -3.475 9.260 -2.788 145 HG LEU 18 HG LEU 18 -2.494 7.857 -4.285 146 HD11 LEU 18 HD11 LEU 18 -5.092 8.806 -5.400 147 HD12 LEU 18 HD12 LEU 18 -4.760 7.460 -4.237 148 HD13 LEU 18 HD13 LEU 18 -4.293 7.319 -5.895 149 HD21 LEU 18 HD21 LEU 18 -2.877 9.869 -6.559 150 HD22 LEU 18 HD22 LEU 18 -2.124 8.271 -6.683 151 HD23 LEU 18 HD23 LEU 18 -1.323 9.563 -5.779 152 H SER 19 HN SER 19 -5.404 10.311 -2.627 153 HA SER 19 HA SER 19 -5.205 12.375 -0.431 154 HB2 SER 19 HB2 SER 19 -7.456 11.939 -2.195 155 HB3 SER 19 HB3 SER 19 -7.929 11.434 -0.579 156 HG SER 19 HG SER 19 -6.934 13.926 -1.468 157 H ASP 20 HN ASP 20 -6.839 11.386 1.520 158 HA ASP 20 HA ASP 20 -5.278 9.174 2.523 159 HB2 ASP 20 HB2 ASP 20 -7.058 9.211 4.368 160 HB3 ASP 20 HB3 ASP 20 -5.947 10.560 4.212 161 H ALA 21 HN ALA 21 -8.790 9.355 1.767 162 HA ALA 21 HA ALA 21 -9.102 6.523 1.739 163 HB1 ALA 21 HB1 ALA 21 -10.922 8.217 2.074 164 HB2 ALA 21 HB2 ALA 21 -10.796 8.621 0.341 165 HB3 ALA 21 HB3 ALA 21 -11.282 6.994 0.840 166 H GLU 22 HN GLU 22 -7.970 8.655 -0.756 167 HA GLU 22 HA GLU 22 -8.439 6.868 -3.038 168 HB2 GLU 22 HB2 GLU 22 -7.125 9.505 -2.461 169 HB3 GLU 22 HB3 GLU 22 -6.631 8.668 -3.907 170 HG2 GLU 22 HG2 GLU 22 -9.587 8.909 -3.477 171 HG3 GLU 22 HG3 GLU 22 -8.651 10.371 -3.813 172 H ALA 23 HN ALA 23 -5.565 7.839 -1.067 173 HA ALA 23 HA ALA 23 -3.734 6.082 -2.412 174 HB1 ALA 23 HB1 ALA 23 -3.694 7.111 0.468 175 HB2 ALA 23 HB2 ALA 23 -2.340 6.312 -0.351 176 HB3 ALA 23 HB3 ALA 23 -2.916 7.868 -0.954 177 H ASN 24 HN ASN 24 -6.056 5.578 0.104 178 HA ASN 24 HA ASN 24 -5.364 2.884 0.968 179 HB2 ASN 24 HB2 ASN 24 -7.923 4.492 0.993 180 HB3 ASN 24 HB3 ASN 24 -7.919 2.793 1.358 181 HD21 ASN 24 HD21 ASN 24 -8.785 4.821 3.104 182 HD22 ASN 24 HD22 ASN 24 -7.818 4.722 4.540 183 H ALA 25 HN ALA 25 -7.563 4.193 -1.567 184 HA ALA 25 HA ALA 25 -8.630 1.822 -2.483 185 HB1 ALA 25 HB1 ALA 25 -7.847 4.105 -4.341 186 HB2 ALA 25 HB2 ALA 25 -9.163 2.951 -4.522 187 HB3 ALA 25 HB3 ALA 25 -9.226 4.185 -3.225 188 H LEU 26 HN LEU 26 -5.649 3.423 -3.880 189 HA LEU 26 HA LEU 26 -5.018 1.450 -5.721 190 HB2 LEU 26 HB2 LEU 26 -3.102 3.073 -3.974 191 HB3 LEU 26 HB3 LEU 26 -2.693 2.258 -5.474 192 HG LEU 26 HG LEU 26 -4.572 4.641 -5.217 193 HD11 LEU 26 HD11 LEU 26 -1.744 4.320 -6.303 194 HD12 LEU 26 HD12 LEU 26 -2.243 5.228 -4.854 195 HD13 LEU 26 HD13 LEU 26 -2.726 5.784 -6.461 196 HD21 LEU 26 HD21 LEU 26 -3.635 3.099 -7.691 197 HD22 LEU 26 HD22 LEU 26 -4.447 4.678 -7.705 198 HD23 LEU 26 HD23 LEU 26 -5.308 3.267 -7.100 199 H VAL 27 HN VAL 27 -4.542 1.252 -2.204 200 HA VAL 27 HA VAL 27 -2.760 -1.071 -2.433 201 HB VAL 27 HB VAL 27 -4.055 0.407 -0.104 202 HG11 VAL 27 HG11 VAL 27 -2.452 -1.074 1.283 203 HG12 VAL 27 HG12 VAL 27 -3.994 -1.777 0.751 204 HG13 VAL 27 HG13 VAL 27 -2.511 -2.190 -0.082 205 HG21 VAL 27 HG21 VAL 27 -2.176 1.541 -1.233 206 HG22 VAL 27 HG22 VAL 27 -1.762 1.004 0.395 207 HG23 VAL 27 HG23 VAL 27 -1.155 0.087 -1.003 208 H TRP 28 HN TRP 28 -6.174 -0.395 -1.524 209 HA TRP 28 HA TRP 28 -6.911 -3.054 -0.877 210 HB2 TRP 28 HB2 TRP 28 -8.537 -0.735 -1.991 211 HB3 TRP 28 HB3 TRP 28 -9.211 -2.171 -1.263 212 HD1 TRP 28 HD1 TRP 28 -6.598 -1.682 1.086 213 HE1 TRP 28 HE1 TRP 28 -7.285 -0.183 3.093 214 HE3 TRP 28 HE3 TRP 28 -10.767 0.511 -0.902 215 HZ2 TRP 28 HZ2 TRP 28 -9.437 1.532 3.784 216 HZ3 TRP 28 HZ3 TRP 28 -12.146 2.057 0.474 217 HH2 TRP 28 HH2 TRP 28 -11.516 2.553 2.807 218 H GLN 29 HN GLN 29 -6.946 -1.303 -4.012 219 HA GLN 29 HA GLN 29 -8.039 -3.463 -5.522 220 HB2 GLN 29 HB2 GLN 29 -7.177 -2.327 -7.511 221 HB3 GLN 29 HB3 GLN 29 -8.042 -1.264 -6.429 222 HG2 GLN 29 HG2 GLN 29 -6.098 -0.230 -5.795 223 HG3 GLN 29 HG3 GLN 29 -5.030 -1.405 -6.518 224 HE21 GLN 29 HE21 GLN 29 -7.704 0.811 -7.739 225 HE22 GLN 29 HE22 GLN 29 -6.742 1.237 -9.144 226 H ALA 30 HN ALA 30 -4.596 -2.565 -4.918 227 HA ALA 30 HA ALA 30 -3.571 -4.596 -6.607 228 HB1 ALA 30 HB1 ALA 30 -2.410 -2.471 -5.864 229 HB2 ALA 30 HB2 ALA 30 -2.140 -3.272 -4.290 230 HB3 ALA 30 HB3 ALA 30 -1.445 -3.949 -5.787 231 H LEU 31 HN LEU 31 -4.260 -4.598 -3.133 232 HA LEU 31 HA LEU 31 -3.253 -7.194 -2.439 233 HB2 LEU 31 HB2 LEU 31 -5.600 -5.479 -1.552 234 HB3 LEU 31 HB3 LEU 31 -5.407 -7.118 -0.966 235 HG LEU 31 HG LEU 31 -3.200 -5.072 -0.691 236 HD11 LEU 31 HD11 LEU 31 -5.148 -4.146 0.423 237 HD12 LEU 31 HD12 LEU 31 -3.972 -4.698 1.623 238 HD13 LEU 31 HD13 LEU 31 -5.413 -5.663 1.299 239 HD21 LEU 31 HD21 LEU 31 -3.817 -7.700 0.744 240 HD22 LEU 31 HD22 LEU 31 -2.486 -6.606 1.156 241 HD23 LEU 31 HD23 LEU 31 -2.487 -7.427 -0.405 242 H GLY 32 HN GLY 32 -6.551 -6.233 -3.470 243 HA2 GLY 32 HA2 GLY 32 -7.443 -7.529 -5.463 244 HA3 GLY 32 HA1 GLY 32 -6.907 -8.965 -4.616 245 H TYR 33 HN TYR 33 -8.223 -6.538 -2.483 246 HA TYR 33 HA TYR 33 -10.427 -8.289 -1.836 247 HB2 TYR 33 HB2 TYR 33 -9.638 -5.484 -0.996 248 HB3 TYR 33 HB3 TYR 33 -11.150 -6.214 -0.483 249 HD1 TYR 33 HD1 TYR 33 -7.471 -6.384 -0.149 250 HD2 TYR 33 HD2 TYR 33 -11.262 -8.038 1.109 251 HE1 TYR 33 HE1 TYR 33 -6.320 -7.626 1.695 252 HE2 TYR 33 HE2 TYR 33 -10.141 -9.136 3.022 253 HH TYR 33 HH TYR 33 -7.906 -8.685 4.354 254 H VAL 34 HN VAL 34 -10.025 -5.434 -3.796 255 HA VAL 34 HA VAL 34 -11.503 -4.164 -5.042 256 HB VAL 34 HB VAL 34 -10.549 -5.678 -6.508 257 HG11 VAL 34 HG11 VAL 34 -11.077 -7.889 -5.594 258 HG12 VAL 34 HG12 VAL 34 -12.783 -7.674 -5.992 259 HG13 VAL 34 HG13 VAL 34 -11.576 -7.756 -7.286 260 HG21 VAL 34 HG21 VAL 34 -12.130 -5.614 -8.303 261 HG22 VAL 34 HG22 VAL 34 -13.504 -5.638 -7.185 262 HG23 VAL 34 HG23 VAL 34 -12.462 -4.201 -7.261 263 H TRP 35 HN TRP 35 -13.149 -3.068 -4.146 264 HA TRP 35 HA TRP 35 -15.437 -4.096 -2.935 265 HB2 TRP 35 HB2 TRP 35 -14.867 -1.751 -2.905 266 HB3 TRP 35 HB3 TRP 35 -15.154 -1.603 -4.641 267 HD1 TRP 35 HD1 TRP 35 -17.625 -1.341 -5.456 268 HE1 TRP 35 HE1 TRP 35 -19.905 -1.120 -4.335 269 HE3 TRP 35 HE3 TRP 35 -16.260 -2.744 -0.780 270 HZ2 TRP 35 HZ2 TRP 35 -21.062 -1.900 -1.787 271 HZ3 TRP 35 HZ3 TRP 35 -17.979 -3.125 0.976 272 HH2 TRP 35 HH2 TRP 35 -20.364 -2.745 0.433 273 H ASP 36 HN ASP 36 -16.806 -5.582 -3.689 274 HA ASP 36 HA ASP 36 -17.464 -5.596 -6.561 275 HB2 ASP 36 HB2 ASP 36 -17.032 -7.737 -4.895 276 HB3 ASP 36 HB3 ASP 36 -18.742 -7.646 -4.805 277 H GLU 37 HN GLU 37 -18.693 -3.834 -6.713 278 HA GLU 37 HA GLU 37 -20.874 -3.056 -5.113 279 HB2 GLU 37 HB2 GLU 37 -19.908 -1.644 -6.714 280 HB3 GLU 37 HB3 GLU 37 -20.121 -2.778 -8.026 281 HG2 GLU 37 HG2 GLU 37 -22.429 -2.324 -8.260 282 HG3 GLU 37 HG3 GLU 37 -22.542 -1.616 -6.636 283 H ALA 38 HN ALA 38 -20.593 -5.674 -7.369 284 HA ALA 38 HA ALA 38 -23.333 -6.332 -7.864 285 HB1 ALA 38 HB1 ALA 38 -20.796 -8.042 -7.623 286 HB2 ALA 38 HB2 ALA 38 -22.372 -8.716 -8.031 287 HB3 ALA 38 HB3 ALA 38 -21.617 -7.533 -9.123 288 H GLN 39 HN GLN 39 -21.041 -7.244 -5.292 289 HA GLN 39 HA GLN 39 -23.155 -8.819 -4.000 290 HB2 GLN 39 HB2 GLN 39 -20.187 -8.640 -3.380 291 HB3 GLN 39 HB3 GLN 39 -21.371 -9.707 -2.621 292 HG2 GLN 39 HG2 GLN 39 -21.869 -10.787 -4.765 293 HG3 GLN 39 HG3 GLN 39 -20.642 -9.777 -5.533 294 HE21 GLN 39 HE21 GLN 39 -18.462 -10.391 -5.403 295 HE22 GLN 39 HE22 GLN 39 -17.907 -11.731 -4.348 296 H SER 40 HN SER 40 -21.979 -5.668 -3.956 297 HA SER 40 HA SER 40 -21.734 -4.012 -2.607 298 HB2 SER 40 HB2 SER 40 -24.001 -5.152 -0.927 299 HB3 SER 40 HB3 SER 40 -23.413 -3.485 -0.991 300 HG SER 40 HG SER 40 -24.682 -4.955 -3.054 301 H CYS 41 HN CYS 41 -19.854 -6.083 -2.224 302 HA CYS 41 HA CYS 41 -19.191 -5.657 0.592 303 HB2 CYS 41 HB2 CYS 41 -19.598 -8.403 -0.663 304 HB3 CYS 41 HB3 CYS 41 -18.549 -8.143 0.730 305 HG CYS 41 HG CYS 41 -20.330 -7.011 2.252 306 H TRP 42 HN TRP 42 -17.027 -6.279 0.991 307 HA TRP 42 HA TRP 42 -15.078 -5.805 -1.133 308 HB2 TRP 42 HB2 TRP 42 -14.838 -6.870 1.730 309 HB3 TRP 42 HB3 TRP 42 -13.486 -6.405 0.694 310 HD1 TRP 42 HD1 TRP 42 -15.901 -4.922 3.168 311 HE1 TRP 42 HE1 TRP 42 -15.913 -2.392 3.080 312 HE3 TRP 42 HE3 TRP 42 -13.059 -4.275 -1.028 313 HZ2 TRP 42 HZ2 TRP 42 -14.707 -0.292 1.421 314 HZ3 TRP 42 HZ3 TRP 42 -12.451 -1.991 -1.820 315 HH2 TRP 42 HH2 TRP 42 -13.303 0.009 -0.598 316 H LYS 43 HN LYS 43 -14.677 -7.506 -2.768 317 HA LYS 43 HA LYS 43 -15.532 -10.125 -2.478 318 HB2 LYS 43 HB2 LYS 43 -14.909 -8.393 -4.492 319 HB3 LYS 43 HB3 LYS 43 -13.308 -9.130 -4.232 320 HG2 LYS 43 HG2 LYS 43 -14.573 -11.272 -4.183 321 HG3 LYS 43 HG3 LYS 43 -15.945 -10.457 -4.927 322 HD2 LYS 43 HD2 LYS 43 -13.135 -10.425 -6.137 323 HD3 LYS 43 HD3 LYS 43 -14.351 -11.669 -6.510 324 HE2 LYS 43 HE2 LYS 43 -15.914 -9.683 -7.055 325 HE3 LYS 43 HE3 LYS 43 -14.460 -8.695 -7.094 326 HZ1 LYS 43 HZ1 LYS 43 -13.634 -10.227 -8.851 327 HZ2 LYS 43 HZ2 LYS 43 -15.129 -9.640 -9.270 328 HZ3 LYS 43 HZ3 LYS 43 -14.986 -11.147 -8.695 329 H THR 44 HN THR 44 -13.927 -11.938 -2.347 330 HA THR 44 HA THR 44 -11.224 -11.118 -1.465 331 HB THR 44 HB THR 44 -11.329 -13.043 0.270 332 HG1 THR 44 HG1 THR 44 -13.506 -13.724 -0.499 333 HG21 THR 44 HG21 THR 44 -12.113 -11.603 2.015 334 HG22 THR 44 HG22 THR 44 -12.982 -10.575 0.871 335 HG23 THR 44 HG23 THR 44 -11.194 -10.643 0.844 336 H ASP 45 HN ASP 45 -12.831 -12.624 -3.929 337 HA ASP 45 HA ASP 45 -11.540 -15.161 -4.006 338 HB2 ASP 45 HB2 ASP 45 -12.492 -13.350 -6.250 339 HB3 ASP 45 HB3 ASP 45 -12.078 -15.059 -6.409 340 H LEU 46 HN LEU 46 -10.672 -11.909 -5.108 341 HA LEU 46 HA LEU 46 -8.490 -12.917 -6.681 342 HB2 LEU 46 HB2 LEU 46 -9.826 -10.206 -6.408 343 HB3 LEU 46 HB3 LEU 46 -8.390 -10.470 -7.384 344 HG LEU 46 HG LEU 46 -11.054 -11.847 -7.847 345 HD11 LEU 46 HD11 LEU 46 -9.591 -9.693 -9.442 346 HD12 LEU 46 HD12 LEU 46 -11.068 -9.469 -8.477 347 HD13 LEU 46 HD13 LEU 46 -11.103 -10.501 -9.911 348 HD21 LEU 46 HD21 LEU 46 -9.357 -13.346 -8.583 349 HD22 LEU 46 HD22 LEU 46 -8.346 -12.048 -9.255 350 HD23 LEU 46 HD23 LEU 46 -9.873 -12.506 -10.032 351 H VAL 47 HN VAL 47 -8.431 -12.633 -3.653 352 HA VAL 47 HA VAL 47 -5.841 -11.255 -3.310 353 HB VAL 47 HB VAL 47 -7.392 -9.803 -2.447 354 HG11 VAL 47 HG11 VAL 47 -9.373 -10.855 -2.470 355 HG12 VAL 47 HG12 VAL 47 -8.952 -11.803 -0.986 356 HG13 VAL 47 HG13 VAL 47 -9.142 -10.022 -0.968 357 HG21 VAL 47 HG21 VAL 47 -7.118 -9.747 0.021 358 HG22 VAL 47 HG22 VAL 47 -6.480 -11.371 -0.008 359 HG23 VAL 47 HG23 VAL 47 -5.604 -10.044 -0.805 360 H ALA 48 HN ALA 48 -4.472 -12.046 -1.502 361 HA ALA 48 HA ALA 48 -4.206 -14.874 -1.797 362 HB1 ALA 48 HB1 ALA 48 -2.320 -13.201 -1.449 363 HB2 ALA 48 HB2 ALA 48 -2.856 -13.048 0.235 364 HB3 ALA 48 HB3 ALA 48 -2.257 -14.600 -0.366 365 HA PRO 49 HA PRO 49 -6.854 -16.246 1.454 366 HB2 PRO 49 HB2 PRO 49 -5.695 -18.564 2.299 367 HB3 PRO 49 HB3 PRO 49 -6.567 -18.367 0.740 368 HG2 PRO 49 HG2 PRO 49 -3.603 -18.186 1.264 369 HG3 PRO 49 HG3 PRO 49 -4.437 -19.146 -0.020 370 HD2 PRO 49 HD2 PRO 49 -3.351 -16.726 -0.566 371 HD3 PRO 49 HD3 PRO 49 -4.955 -17.165 -1.256 372 H GLU 50 HN GLU 50 -3.361 -15.992 2.223 373 HA GLU 50 HA GLU 50 -3.690 -15.984 5.034 374 HB2 GLU 50 HB2 GLU 50 -1.479 -15.082 5.160 375 HB3 GLU 50 HB3 GLU 50 -1.556 -16.330 3.919 376 HG2 GLU 50 HG2 GLU 50 -1.650 -14.493 2.165 377 HG3 GLU 50 HG3 GLU 50 -1.352 -13.331 3.474 378 H TRP 51 HN TRP 51 -4.261 -13.380 2.687 379 HA TRP 51 HA TRP 51 -4.359 -11.296 4.762 380 HB2 TRP 51 HB2 TRP 51 -4.734 -11.412 1.762 381 HB3 TRP 51 HB3 TRP 51 -5.446 -10.093 2.665 382 HD1 TRP 51 HD1 TRP 51 -2.082 -11.439 1.596 383 HE1 TRP 51 HE1 TRP 51 -0.296 -9.687 1.981 384 HE3 TRP 51 HE3 TRP 51 -4.924 -8.017 4.130 385 HZ2 TRP 51 HZ2 TRP 51 -0.041 -7.148 3.439 386 HZ3 TRP 51 HZ3 TRP 51 -3.929 -5.876 4.846 387 HH2 TRP 51 HH2 TRP 51 -1.536 -5.417 4.512 388 H ARG 52 HN ARG 52 -6.662 -12.769 2.491 389 HA ARG 52 HA ARG 52 -8.949 -11.502 3.586 390 HB2 ARG 52 HB2 ARG 52 -10.202 -12.772 2.087 391 HB3 ARG 52 HB3 ARG 52 -8.727 -12.170 1.326 392 HG2 ARG 52 HG2 ARG 52 -7.914 -14.669 2.171 393 HG3 ARG 52 HG3 ARG 52 -9.644 -14.972 1.908 394 HD2 ARG 52 HD2 ARG 52 -9.304 -13.678 -0.295 395 HD3 ARG 52 HD3 ARG 52 -7.623 -13.779 -0.041 396 HE ARG 52 HE ARG 52 -7.658 -15.798 -0.995 397 HH11 ARG 52 HH11 ARG 52 -10.982 -15.317 0.264 398 HH12 ARG 52 HH12 ARG 52 -11.635 -16.555 -0.706 399 HH21 ARG 52 HH21 ARG 52 -8.492 -17.722 -1.904 400 HH22 ARG 52 HH22 ARG 52 -10.211 -17.901 -2.045 401 H GLN 53 HN GLN 53 -7.279 -13.866 5.151 402 HA GLN 53 HA GLN 53 -9.090 -15.901 5.808 403 HB2 GLN 53 HB2 GLN 53 -6.440 -14.954 6.551 404 HB3 GLN 53 HB3 GLN 53 -7.294 -15.386 8.026 405 HG2 GLN 53 HG2 GLN 53 -7.630 -17.590 7.358 406 HG3 GLN 53 HG3 GLN 53 -7.330 -17.250 5.650 407 HE21 GLN 53 HE21 GLN 53 -5.624 -18.811 5.427 408 HE22 GLN 53 HE22 GLN 53 -4.096 -18.560 6.334 409 H ASP 54 HN ASP 54 -8.439 -12.862 7.609 410 HA ASP 54 HA ASP 54 -10.746 -13.464 9.379 411 HB2 ASP 54 HB2 ASP 54 -7.973 -12.468 10.148 412 HB3 ASP 54 HB3 ASP 54 -9.354 -12.550 11.236 413 H TYR 55 HN TYR 55 -10.157 -11.632 7.014 414 HA TYR 55 HA TYR 55 -10.187 -8.894 8.208 415 HB2 TYR 55 HB2 TYR 55 -8.892 -10.023 5.739 416 HB3 TYR 55 HB3 TYR 55 -9.408 -8.346 5.781 417 HD1 TYR 55 HD1 TYR 55 -7.533 -10.652 8.157 418 HD2 TYR 55 HD2 TYR 55 -7.712 -6.790 6.207 419 HE1 TYR 55 HE1 TYR 55 -5.656 -9.899 9.510 420 HE2 TYR 55 HE2 TYR 55 -5.808 -6.040 7.565 421 HH TYR 55 HH TYR 55 -5.089 -7.412 10.351 422 HA PRO 56 HA PRO 56 -14.351 -9.527 6.209 423 HB2 PRO 56 HB2 PRO 56 -15.861 -8.264 8.093 424 HB3 PRO 56 HB3 PRO 56 -15.306 -9.953 8.259 425 HG2 PRO 56 HG2 PRO 56 -14.040 -7.467 9.442 426 HG3 PRO 56 HG3 PRO 56 -14.448 -8.995 10.281 427 HD2 PRO 56 HD2 PRO 56 -11.956 -8.502 9.351 428 HD3 PRO 56 HD3 PRO 56 -12.642 -10.148 9.255 429 H GLU 57 HN GLU 57 -12.349 -6.805 7.063 430 HA GLU 57 HA GLU 57 -13.959 -4.935 5.462 431 HB2 GLU 57 HB2 GLU 57 -13.163 -4.748 8.375 432 HB3 GLU 57 HB3 GLU 57 -12.975 -3.317 7.397 433 HG2 GLU 57 HG2 GLU 57 -15.527 -4.094 6.658 434 HG3 GLU 57 HG3 GLU 57 -15.447 -4.573 8.362 435 HA PRO 58 HA PRO 58 -9.950 -4.004 3.864 436 HB2 PRO 58 HB2 PRO 58 -10.102 -1.388 3.196 437 HB3 PRO 58 HB3 PRO 58 -11.038 -2.650 2.336 438 HG2 PRO 58 HG2 PRO 58 -11.977 -0.758 4.505 439 HG3 PRO 58 HG3 PRO 58 -12.783 -1.226 2.972 440 HD2 PRO 58 HD2 PRO 58 -13.366 -2.381 5.402 441 HD3 PRO 58 HD3 PRO 58 -13.478 -3.279 3.874 442 HA PRO 59 HA PRO 59 -7.679 -2.240 7.253 443 HB2 PRO 59 HB2 PRO 59 -5.219 -1.816 6.129 444 HB3 PRO 59 HB3 PRO 59 -5.917 -3.441 6.486 445 HG2 PRO 59 HG2 PRO 59 -5.924 -1.961 3.840 446 HG3 PRO 59 HG3 PRO 59 -5.412 -3.653 4.155 447 HD2 PRO 59 HD2 PRO 59 -7.871 -2.987 3.251 448 HD3 PRO 59 HD3 PRO 59 -7.648 -4.332 4.408 449 H ASP 60 HN ASP 60 -8.308 -0.270 7.954 450 HA ASP 60 HA ASP 60 -7.888 2.284 6.675 451 HB2 ASP 60 HB2 ASP 60 -8.411 1.238 9.474 452 HB3 ASP 60 HB3 ASP 60 -7.605 2.792 9.350 453 H PHE 61 HN PHE 61 -5.658 2.223 5.761 454 HA PHE 61 HA PHE 61 -3.470 1.738 7.644 455 HB2 PHE 61 HB2 PHE 61 -3.469 3.137 4.958 456 HB3 PHE 61 HB3 PHE 61 -2.033 2.867 5.944 457 HD1 PHE 61 HD1 PHE 61 -1.223 0.495 6.448 458 HD2 PHE 61 HD2 PHE 61 -4.531 1.294 3.760 459 HE1 PHE 61 HE1 PHE 61 -1.087 -1.796 5.574 460 HE2 PHE 61 HE2 PHE 61 -4.312 -0.971 2.843 461 HZ PHE 61 HZ PHE 61 -2.640 -2.555 3.743 462 H ILE 62 HN ILE 62 -5.329 4.515 6.584 463 HA ILE 62 HA ILE 62 -3.707 6.567 7.611 464 HB ILE 62 HB ILE 62 -6.698 6.478 7.105 465 HG12 ILE 62 HG12 ILE 62 -5.475 5.776 5.128 466 HG13 ILE 62 HG13 ILE 62 -6.280 7.280 4.879 467 HG21 ILE 62 HG21 ILE 62 -6.452 8.923 6.648 468 HG22 ILE 62 HG22 ILE 62 -6.253 8.465 8.339 469 HG23 ILE 62 HG23 ILE 62 -4.818 8.848 7.351 470 HD11 ILE 62 HD11 ILE 62 -3.290 6.937 5.381 471 HD12 ILE 62 HD12 ILE 62 -4.073 7.283 3.829 472 HD13 ILE 62 HD13 ILE 62 -4.111 8.499 5.114 473 H ALA 63 HN ALA 63 -6.517 4.907 9.159 474 HA ALA 63 HA ALA 63 -5.892 6.339 11.700 475 HB1 ALA 63 HB1 ALA 63 -8.579 5.418 10.606 476 HB2 ALA 63 HB2 ALA 63 -8.284 6.276 12.129 477 HB3 ALA 63 HB3 ALA 63 -7.957 7.087 10.593 478 H SER 64 HN SER 64 -4.719 3.657 10.840 479 HA SER 64 HA SER 64 -5.221 2.375 13.345 480 HB2 SER 64 HB2 SER 64 -7.102 1.672 11.566 481 HB3 SER 64 HB3 SER 64 -5.825 0.592 10.994 482 HG SER 64 HG SER 64 -7.240 0.663 13.387 483 H ARG 65 HN ARG 65 -3.872 0.113 13.311 484 HA ARG 65 HA ARG 65 -2.103 -0.006 11.109 485 HB2 ARG 65 HB2 ARG 65 0.068 -0.022 12.249 486 HB3 ARG 65 HB3 ARG 65 -0.766 1.503 12.363 487 HG2 ARG 65 HG2 ARG 65 0.091 1.358 14.436 488 HG3 ARG 65 HG3 ARG 65 -1.517 0.732 14.750 489 HD2 ARG 65 HD2 ARG 65 -0.684 -1.503 15.001 490 HD3 ARG 65 HD3 ARG 65 0.813 -1.121 14.143 491 HE ARG 65 HE ARG 65 0.504 0.479 16.524 492 HH11 ARG 65 HH11 ARG 65 1.303 -2.938 15.768 493 HH12 ARG 65 HH12 ARG 65 2.350 -3.057 17.109 494 HH21 ARG 65 HH21 ARG 65 1.877 0.250 18.207 495 HH22 ARG 65 HH22 ARG 65 2.727 -1.241 18.506 496 HA PRO 66 HA PRO 66 -2.797 -4.252 12.875 497 HB2 PRO 66 HB2 PRO 66 -4.937 -5.166 11.443 498 HB3 PRO 66 HB3 PRO 66 -5.069 -4.379 13.050 499 HG2 PRO 66 HG2 PRO 66 -5.489 -3.128 10.323 500 HG3 PRO 66 HG3 PRO 66 -6.488 -2.966 11.806 501 HD2 PRO 66 HD2 PRO 66 -4.634 -1.086 11.142 502 HD3 PRO 66 HD3 PRO 66 -4.941 -1.568 12.843 503 H ALA 67 HN ALA 67 -3.618 -3.210 9.508 504 HA ALA 67 HA ALA 67 -2.481 -5.554 8.298 505 HB1 ALA 67 HB1 ALA 67 -2.634 -4.201 6.188 506 HB2 ALA 67 HB2 ALA 67 -4.122 -4.357 7.108 507 HB3 ALA 67 HB3 ALA 67 -3.203 -2.835 7.148 508 H THR 68 HN THR 68 -0.966 -2.651 9.448 509 HA THR 68 HA THR 68 1.312 -2.545 7.907 510 HB THR 68 HB THR 68 1.002 -2.080 10.889 511 HG1 THR 68 HG1 THR 68 -0.437 -0.939 9.521 512 HG21 THR 68 HG21 THR 68 3.063 -0.859 8.960 513 HG22 THR 68 HG22 THR 68 3.426 -2.041 10.221 514 HG23 THR 68 HG23 THR 68 2.821 -0.456 10.673 515 H VAL 69 HN VAL 69 0.594 -4.950 10.512 516 HA VAL 69 HA VAL 69 3.250 -6.077 10.496 517 HB VAL 69 HB VAL 69 0.625 -7.436 11.239 518 HG11 VAL 69 HG11 VAL 69 3.518 -7.935 12.072 519 HG12 VAL 69 HG12 VAL 69 2.111 -8.795 12.712 520 HG13 VAL 69 HG13 VAL 69 2.553 -8.974 11.015 521 HG21 VAL 69 HG21 VAL 69 1.100 -6.764 13.572 522 HG22 VAL 69 HG22 VAL 69 2.449 -5.753 12.997 523 HG23 VAL 69 HG23 VAL 69 0.778 -5.357 12.543 524 H LYS 70 HN LYS 70 0.194 -6.830 8.801 525 HA LYS 70 HA LYS 70 1.194 -9.106 7.446 526 HB2 LYS 70 HB2 LYS 70 -1.259 -8.035 7.910 527 HB3 LYS 70 HB3 LYS 70 -1.072 -7.522 6.252 528 HG2 LYS 70 HG2 LYS 70 -1.256 -9.702 5.451 529 HG3 LYS 70 HG3 LYS 70 -0.355 -10.373 6.791 530 HD2 LYS 70 HD2 LYS 70 -2.517 -9.810 8.244 531 HD3 LYS 70 HD3 LYS 70 -3.299 -9.639 6.679 532 HE2 LYS 70 HE2 LYS 70 -3.690 -11.863 7.438 533 HE3 LYS 70 HE3 LYS 70 -2.526 -11.977 6.106 534 HZ1 LYS 70 HZ1 LYS 70 -0.786 -12.370 7.698 535 HZ2 LYS 70 HZ2 LYS 70 -2.011 -13.371 8.044 536 HZ3 LYS 70 HZ3 LYS 70 -1.827 -12.078 8.987 537 H LEU 71 HN LEU 71 1.289 -5.684 6.683 538 HA LEU 71 HA LEU 71 2.296 -5.764 4.036 539 HB2 LEU 71 HB2 LEU 71 2.188 -3.864 6.282 540 HB3 LEU 71 HB3 LEU 71 3.667 -3.685 5.338 541 HG LEU 71 HG LEU 71 2.333 -3.386 3.313 542 HD11 LEU 71 HD11 LEU 71 -0.139 -2.982 3.531 543 HD12 LEU 71 HD12 LEU 71 -0.044 -3.742 5.137 544 HD13 LEU 71 HD13 LEU 71 0.379 -4.651 3.664 545 HD21 LEU 71 HD21 LEU 71 1.285 -1.201 3.872 546 HD22 LEU 71 HD22 LEU 71 2.921 -1.377 4.485 547 HD23 LEU 71 HD23 LEU 71 1.528 -1.551 5.596 548 H THR 72 HN THR 72 4.103 -6.002 7.196 549 HA THR 72 HA THR 72 6.681 -6.028 6.068 550 HB THR 72 HB THR 72 5.620 -7.261 8.643 551 HG1 THR 72 HG1 THR 72 6.292 -5.257 9.482 552 HG21 THR 72 HG21 THR 72 7.975 -6.931 9.427 553 HG22 THR 72 HG22 THR 72 8.448 -6.576 7.755 554 HG23 THR 72 HG23 THR 72 7.792 -8.183 8.201 555 H ARG 73 HN ARG 73 4.372 -8.588 6.554 556 HA ARG 73 HA ARG 73 5.942 -10.847 6.046 557 HB2 ARG 73 HB2 ARG 73 3.103 -10.441 5.043 558 HB3 ARG 73 HB3 ARG 73 3.902 -11.966 5.316 559 HG2 ARG 73 HG2 ARG 73 3.237 -9.918 7.483 560 HG3 ARG 73 HG3 ARG 73 2.285 -11.342 7.127 561 HD2 ARG 73 HD2 ARG 73 5.185 -11.415 8.049 562 HD3 ARG 73 HD3 ARG 73 3.773 -11.565 9.103 563 HE ARG 73 HE ARG 73 3.529 -13.442 6.982 564 HH11 ARG 73 HH11 ARG 73 5.957 -13.056 9.528 565 HH12 ARG 73 HH12 ARG 73 5.967 -14.738 9.918 566 HH21 ARG 73 HH21 ARG 73 3.636 -15.604 7.406 567 HH22 ARG 73 HH22 ARG 73 4.561 -16.209 8.748 568 H SER 74 HN SER 74 4.769 -8.453 3.726 569 HA SER 74 HA SER 74 5.869 -9.990 1.445 570 HB2 SER 74 HB2 SER 74 3.888 -7.689 1.719 571 HB3 SER 74 HB3 SER 74 4.581 -8.197 0.156 572 HG SER 74 HG SER 74 3.101 -9.614 0.158 573 H ILE 75 HN ILE 75 7.384 -8.124 3.588 574 HA ILE 75 HA ILE 75 8.789 -6.399 1.546 575 HB ILE 75 HB ILE 75 8.261 -5.866 4.476 576 HG12 ILE 75 HG12 ILE 75 7.334 -4.277 2.022 577 HG13 ILE 75 HG13 ILE 75 6.341 -5.479 2.793 578 HG21 ILE 75 HG21 ILE 75 9.693 -4.091 4.410 579 HG22 ILE 75 HG22 ILE 75 10.507 -5.051 3.183 580 HG23 ILE 75 HG23 ILE 75 9.451 -3.759 2.695 581 HD11 ILE 75 HD11 ILE 75 7.347 -2.920 4.049 582 HD12 ILE 75 HD12 ILE 75 5.668 -3.413 3.699 583 HD13 ILE 75 HD13 ILE 75 6.571 -4.219 4.978 584 HA PRO 76 HA PRO 76 11.502 -9.805 3.154 585 HB2 PRO 76 HB2 PRO 76 12.870 -10.393 0.876 586 HB3 PRO 76 HB3 PRO 76 11.165 -10.854 1.065 587 HG2 PRO 76 HG2 PRO 76 12.150 -8.378 -0.266 588 HG3 PRO 76 HG3 PRO 76 11.097 -9.660 -0.943 589 HD2 PRO 76 HD2 PRO 76 9.940 -7.519 0.166 590 HD3 PRO 76 HD3 PRO 76 9.340 -9.134 0.581 591 H ALA 77 HN ALA 77 14.039 -10.009 2.963 592 HA ALA 77 HA ALA 77 15.184 -7.658 4.128 593 HB1 ALA 77 HB1 ALA 77 15.995 -9.918 4.631 594 HB2 ALA 77 HB2 ALA 77 16.553 -10.137 2.957 595 HB3 ALA 77 HB3 ALA 77 17.305 -8.903 3.991 596 HA PRO 78 HA PRO 78 17.226 -6.773 -0.135 597 HB2 PRO 78 HB2 PRO 78 15.754 -7.567 -2.396 598 HB3 PRO 78 HB3 PRO 78 17.211 -8.373 -1.745 599 HG2 PRO 78 HG2 PRO 78 14.306 -9.050 -1.197 600 HG3 PRO 78 HG3 PRO 78 15.643 -10.176 -1.593 601 HD2 PRO 78 HD2 PRO 78 14.953 -9.918 0.919 602 HD3 PRO 78 HD3 PRO 78 16.676 -9.848 0.527 603 H TYR 79 HN TYR 79 13.777 -6.564 0.693 604 HA TYR 79 HA TYR 79 13.536 -4.179 -1.070 605 HB2 TYR 79 HB2 TYR 79 11.433 -6.146 -0.507 606 HB3 TYR 79 HB3 TYR 79 11.159 -4.781 -1.369 607 HD1 TYR 79 HD1 TYR 79 13.953 -4.955 -2.915 608 HD2 TYR 79 HD2 TYR 79 10.726 -7.700 -2.184 609 HE1 TYR 79 HE1 TYR 79 14.409 -5.876 -4.939 610 HE2 TYR 79 HE2 TYR 79 11.103 -8.674 -4.368 611 HH TYR 79 HH TYR 79 13.834 -7.803 -6.569 612 H LYS 80 HN LYS 80 14.408 -3.825 1.561 613 HA LYS 80 HA LYS 80 12.091 -3.084 3.231 614 HB2 LYS 80 HB2 LYS 80 15.089 -2.674 3.637 615 HB3 LYS 80 HB3 LYS 80 13.819 -2.344 4.832 616 HG2 LYS 80 HG2 LYS 80 14.443 -5.113 3.718 617 HG3 LYS 80 HG3 LYS 80 15.075 -4.472 5.231 618 HD2 LYS 80 HD2 LYS 80 12.768 -4.242 6.141 619 HD3 LYS 80 HD3 LYS 80 12.132 -4.809 4.593 620 HE2 LYS 80 HE2 LYS 80 12.041 -6.698 5.909 621 HE3 LYS 80 HE3 LYS 80 13.459 -6.945 4.892 622 HZ1 LYS 80 HZ1 LYS 80 13.927 -7.548 7.138 623 HZ2 LYS 80 HZ2 LYS 80 13.420 -6.108 7.729 624 HZ3 LYS 80 HZ3 LYS 80 14.819 -6.233 6.831 625 H GLN 81 HN GLN 81 14.112 -1.489 0.777 626 HA GLN 81 HA GLN 81 12.754 1.018 1.432 627 HB2 GLN 81 HB2 GLN 81 14.621 2.307 1.743 628 HB3 GLN 81 HB3 GLN 81 14.638 0.922 2.857 629 HG2 GLN 81 HG2 GLN 81 16.049 -0.291 1.330 630 HG3 GLN 81 HG3 GLN 81 16.150 1.136 0.301 631 HE21 GLN 81 HE21 GLN 81 17.302 -0.317 3.323 632 HE22 GLN 81 HE22 GLN 81 18.343 1.005 3.793 633 H LEU 82 HN LEU 82 12.261 -0.570 -1.035 634 HA LEU 82 HA LEU 82 13.920 0.695 -2.981 635 HB2 LEU 82 HB2 LEU 82 11.426 -0.559 -3.958 636 HB3 LEU 82 HB3 LEU 82 13.062 -0.574 -4.599 637 HG LEU 82 HG LEU 82 12.720 -2.921 -3.751 638 HD11 LEU 82 HD11 LEU 82 14.132 -1.886 -1.382 639 HD12 LEU 82 HD12 LEU 82 14.802 -1.411 -2.957 640 HD13 LEU 82 HD13 LEU 82 14.606 -3.078 -2.599 641 HD21 LEU 82 HD21 LEU 82 10.784 -1.643 -2.214 642 HD22 LEU 82 HD22 LEU 82 11.820 -2.684 -1.265 643 HD23 LEU 82 HD23 LEU 82 11.055 -3.287 -2.766 644 H LEU 83 HN LEU 83 11.234 1.973 -1.412 645 HA LEU 83 HA LEU 83 10.408 4.062 -3.095 646 HB2 LEU 83 HB2 LEU 83 10.947 3.724 -0.189 647 HB3 LEU 83 HB3 LEU 83 10.837 5.376 -0.739 648 HG LEU 83 HG LEU 83 8.651 3.383 -1.376 649 HD11 LEU 83 HD11 LEU 83 7.463 4.311 0.611 650 HD12 LEU 83 HD12 LEU 83 8.965 5.226 1.037 651 HD13 LEU 83 HD13 LEU 83 8.978 3.449 1.044 652 HD21 LEU 83 HD21 LEU 83 8.687 5.534 -2.675 653 HD22 LEU 83 HD22 LEU 83 8.651 6.433 -1.172 654 HD23 LEU 83 HD23 LEU 83 7.287 5.420 -1.625 655 H LYS 84 HN LYS 84 13.577 3.672 -1.424 656 HA LYS 84 HA LYS 84 14.413 6.244 -2.649 657 HB2 LYS 84 HB2 LYS 84 16.372 4.811 -1.002 658 HB3 LYS 84 HB3 LYS 84 16.028 6.532 -1.221 659 HG2 LYS 84 HG2 LYS 84 13.842 5.953 0.109 660 HG3 LYS 84 HG3 LYS 84 14.736 4.529 0.616 661 HD2 LYS 84 HD2 LYS 84 15.534 7.434 0.980 662 HD3 LYS 84 HD3 LYS 84 15.064 6.327 2.273 663 HE2 LYS 84 HE2 LYS 84 17.119 5.051 1.991 664 HE3 LYS 84 HE3 LYS 84 17.518 5.914 0.503 665 HZ1 LYS 84 HZ1 LYS 84 17.798 7.946 1.772 666 HZ2 LYS 84 HZ2 LYS 84 18.764 6.769 2.377 667 HZ3 LYS 84 HZ3 LYS 84 17.395 7.194 3.161 668 H GLU 85 HN GLU 85 14.970 2.801 -2.720 669 HA GLU 85 HA GLU 85 17.365 2.963 -4.346 670 HB2 GLU 85 HB2 GLU 85 15.476 0.595 -4.187 671 HB3 GLU 85 HB3 GLU 85 16.959 0.639 -5.056 672 HG2 GLU 85 HG2 GLU 85 18.056 1.378 -2.777 673 HG3 GLU 85 HG3 GLU 85 16.571 0.739 -2.059 674 H GLU 86 HN GLU 86 13.925 2.375 -5.502 675 HA GLU 86 HA GLU 86 14.970 2.604 -8.240 676 HB2 GLU 86 HB2 GLU 86 13.221 1.254 -8.847 677 HB3 GLU 86 HB3 GLU 86 14.015 0.543 -7.449 678 HG2 GLU 86 HG2 GLU 86 12.159 1.209 -6.052 679 HG3 GLU 86 HG3 GLU 86 11.361 1.912 -7.471 680 H LEU 87 HN LEU 87 12.752 4.096 -6.126 681 HA LEU 87 HA LEU 87 11.839 5.962 -8.300 682 HB2 LEU 87 HB2 LEU 87 11.037 5.860 -5.376 683 HB3 LEU 87 HB3 LEU 87 10.439 7.045 -6.527 684 HG LEU 87 HG LEU 87 10.102 4.058 -6.892 685 HD11 LEU 87 HD11 LEU 87 7.987 5.983 -5.869 686 HD12 LEU 87 HD12 LEU 87 8.969 4.946 -4.800 687 HD13 LEU 87 HD13 LEU 87 7.898 4.223 -5.994 688 HD21 LEU 87 HD21 LEU 87 8.320 4.696 -8.405 689 HD22 LEU 87 HD22 LEU 87 9.812 5.488 -8.926 690 HD23 LEU 87 HD23 LEU 87 8.559 6.413 -8.053 691 H GLY 88 HN GLY 88 13.454 6.253 -5.108 692 HA2 GLY 88 HA2 GLY 88 15.464 7.615 -4.887 693 HA3 GLY 88 HA1 GLY 88 14.847 8.726 -6.088 694 H PHE 89 HN PHE 89 12.528 7.563 -3.645 695 HA PHE 89 HA PHE 89 12.172 10.142 -2.503 696 HB2 PHE 89 HB2 PHE 89 10.517 8.205 -2.615 697 HB3 PHE 89 HB3 PHE 89 11.452 7.428 -1.360 698 HD1 PHE 89 HD2 PHE 89 9.909 10.832 -1.975 699 HD2 PHE 89 HD1 PHE 89 10.511 7.573 0.782 700 HE1 PHE 89 HE2 PHE 89 8.461 11.958 -0.322 701 HE2 PHE 89 HE1 PHE 89 9.075 8.711 2.443 702 HZ PHE 89 HZ PHE 89 8.010 10.897 1.889 703 H ALA 90 HN ALA 90 12.204 10.372 -0.028 704 HA ALA 90 HA ALA 90 14.651 9.314 1.246 705 HB1 ALA 90 HB1 ALA 90 15.360 11.460 0.325 706 HB2 ALA 90 HB2 ALA 90 13.963 12.275 1.050 707 HB3 ALA 90 HB3 ALA 90 15.225 11.559 2.080 708 H GLY 91 HN GLY 91 12.150 11.790 1.947 709 HA2 GLY 91 HA2 GLY 91 10.427 10.336 3.600 710 HA3 GLY 91 HA1 GLY 91 11.681 11.097 4.598 711 H TYR 92 HN TYR 92 9.151 12.151 4.957 712 HA TYR 92 HA TYR 92 9.224 14.736 3.473 713 HB2 TYR 92 HB2 TYR 92 7.601 13.891 5.871 714 HB3 TYR 92 HB3 TYR 92 7.428 15.347 4.853 715 HD1 TYR 92 HD1 TYR 92 6.794 11.746 5.073 716 HD2 TYR 92 HD2 TYR 92 6.159 15.384 2.913 717 HE1 TYR 92 HE1 TYR 92 5.173 10.589 3.725 718 HE2 TYR 92 HE2 TYR 92 4.417 14.267 1.515 719 HH TYR 92 HH TYR 92 3.822 10.764 1.713 720 H SER 93 HN SER 93 9.287 16.771 4.674 721 HA SER 93 HA SER 93 11.513 17.113 6.321 722 HB2 SER 93 HB2 SER 93 9.450 19.197 6.514 723 HB3 SER 93 HB3 SER 93 11.079 19.280 5.853 724 HG SER 93 HG SER 93 10.281 18.475 3.878 725 H ILE 94 HN ILE 94 11.691 17.365 8.532 726 HA ILE 94 HA ILE 94 9.883 16.086 10.249 727 HB ILE 94 HB ILE 94 12.188 16.365 10.827 728 HG12 ILE 94 HG12 ILE 94 12.047 17.115 13.189 729 HG13 ILE 94 HG13 ILE 94 10.458 17.798 12.898 730 HG21 ILE 94 HG21 ILE 94 11.632 19.308 11.245 731 HG22 ILE 94 HG22 ILE 94 13.167 18.468 11.551 732 HG23 ILE 94 HG23 ILE 94 12.570 18.626 9.897 733 HD11 ILE 94 HD11 ILE 94 11.142 14.846 12.580 734 HD12 ILE 94 HD12 ILE 94 10.396 15.573 14.019 735 HD13 ILE 94 HD13 ILE 94 9.520 15.579 12.483 736 H ASN 95 HN ASN 95 10.042 19.468 9.415 737 HA ASN 95 HA ASN 95 8.420 20.537 11.428 738 HB2 ASN 95 HB2 ASN 95 8.413 21.583 8.564 739 HB3 ASN 95 HB3 ASN 95 8.219 22.503 10.056 740 HD21 ASN 95 HD21 ASN 95 10.509 21.468 7.667 741 HD22 ASN 95 HD22 ASN 95 11.954 21.677 8.628 742 H GLU 96 HN GLU 96 7.504 18.570 8.747 743 HA GLU 96 HA GLU 96 4.709 19.552 8.674 744 HB2 GLU 96 HB2 GLU 96 6.485 18.226 6.570 745 HB3 GLU 96 HB3 GLU 96 4.795 18.510 6.346 746 HG2 GLU 96 HG2 GLU 96 6.701 20.798 7.008 747 HG3 GLU 96 HG3 GLU 96 6.519 20.160 5.383 748 H LEU 97 HN LEU 97 6.433 17.109 10.162 749 HA LEU 97 HA LEU 97 5.301 14.802 8.912 750 HB2 LEU 97 HB2 LEU 97 7.343 15.435 10.987 751 HB3 LEU 97 HB3 LEU 97 6.506 13.973 11.285 752 HG LEU 97 HG LEU 97 8.043 14.611 8.745 753 HD11 LEU 97 HD11 LEU 97 9.481 14.127 10.711 754 HD12 LEU 97 HD12 LEU 97 9.585 12.852 9.508 755 HD13 LEU 97 HD13 LEU 97 8.617 12.634 10.986 756 HD21 LEU 97 HD21 LEU 97 7.722 12.211 8.164 757 HD22 LEU 97 HD22 LEU 97 6.178 13.064 8.178 758 HD23 LEU 97 HD23 LEU 97 6.637 12.049 9.562 759 H VAL 98 HN VAL 98 3.081 14.860 9.063 760 HA VAL 98 HA VAL 98 1.940 14.758 11.798 761 HB VAL 98 HB VAL 98 -0.235 15.109 10.625 762 HG11 VAL 98 HG11 VAL 98 0.128 17.490 10.251 763 HG12 VAL 98 HG12 VAL 98 0.998 16.931 11.693 764 HG13 VAL 98 HG13 VAL 98 1.888 17.240 10.180 765 HG21 VAL 98 HG21 VAL 98 -0.313 15.955 8.361 766 HG22 VAL 98 HG22 VAL 98 1.430 15.763 8.159 767 HG23 VAL 98 HG23 VAL 98 0.386 14.333 8.336 768 HA PRO 99 HA PRO 99 1.088 10.453 11.405 769 HB2 PRO 99 HB2 PRO 99 -1.095 10.106 12.989 770 HB3 PRO 99 HB3 PRO 99 0.523 10.500 13.625 771 HG2 PRO 99 HG2 PRO 99 -1.755 12.416 13.040 772 HG3 PRO 99 HG3 PRO 99 -0.774 12.292 14.537 773 HD2 PRO 99 HD2 PRO 99 -0.183 14.120 12.644 774 HD3 PRO 99 HD3 PRO 99 1.112 13.235 13.486 775 H ARG 100 HN ARG 100 -0.857 12.750 9.882 776 HA ARG 100 HA ARG 100 -2.599 10.767 8.556 777 HB2 ARG 100 HB2 ARG 100 -1.851 13.644 7.833 778 HB3 ARG 100 HB3 ARG 100 -2.866 12.592 6.838 779 HG2 ARG 100 HG2 ARG 100 -4.472 12.353 8.705 780 HG3 ARG 100 HG3 ARG 100 -3.489 13.455 9.694 781 HD2 ARG 100 HD2 ARG 100 -3.864 15.283 8.111 782 HD3 ARG 100 HD3 ARG 100 -4.666 14.185 6.977 783 HE ARG 100 HE ARG 100 -6.536 14.023 8.271 784 HH11 ARG 100 HH11 ARG 100 -4.277 16.403 9.720 785 HH12 ARG 100 HH12 ARG 100 -5.485 17.134 10.688 786 HH21 ARG 100 HH21 ARG 100 -8.069 14.955 9.636 787 HH22 ARG 100 HH22 ARG 100 -7.643 16.078 10.895 788 H LYS 101 HN LYS 101 0.083 12.821 7.274 789 HA LYS 101 HA LYS 101 0.302 11.282 5.025 790 HB2 LYS 101 HB2 LYS 101 2.250 12.582 4.493 791 HB3 LYS 101 HB3 LYS 101 1.018 13.567 5.267 792 HG2 LYS 101 HG2 LYS 101 2.280 13.730 7.298 793 HG3 LYS 101 HG3 LYS 101 3.518 12.645 6.651 794 HD2 LYS 101 HD2 LYS 101 4.144 15.001 6.419 795 HD3 LYS 101 HD3 LYS 101 4.039 14.132 4.886 796 HE2 LYS 101 HE2 LYS 101 1.744 15.896 5.753 797 HE3 LYS 101 HE3 LYS 101 3.222 16.610 5.110 798 HZ1 LYS 101 HZ1 LYS 101 1.519 14.719 3.617 799 HZ2 LYS 101 HZ2 LYS 101 2.939 15.343 3.071 800 HZ3 LYS 101 HZ3 LYS 101 1.666 16.307 3.381 801 H THR 102 HN THR 102 2.155 10.906 7.986 802 HA THR 102 HA THR 102 4.137 9.182 6.985 803 HB THR 102 HB THR 102 4.213 8.196 9.318 804 HG1 THR 102 HG1 THR 102 2.908 9.378 10.811 805 HG21 THR 102 HG21 THR 102 4.973 10.274 10.355 806 HG22 THR 102 HG22 THR 102 4.073 11.252 9.161 807 HG23 THR 102 HG23 THR 102 5.452 10.264 8.648 808 H ARG 103 HN ARG 103 0.803 8.352 7.802 809 HA ARG 103 HA ARG 103 1.098 5.515 7.469 810 HB2 ARG 103 HB2 ARG 103 -1.380 7.202 6.929 811 HB3 ARG 103 HB3 ARG 103 -1.336 5.486 7.335 812 HG2 ARG 103 HG2 ARG 103 -0.372 7.717 9.172 813 HG3 ARG 103 HG3 ARG 103 -1.994 7.084 9.206 814 HD2 ARG 103 HD2 ARG 103 -1.333 5.037 10.152 815 HD3 ARG 103 HD3 ARG 103 0.315 5.176 9.528 816 HE ARG 103 HE ARG 103 0.944 6.258 11.395 817 HH11 ARG 103 HH11 ARG 103 -2.570 6.830 11.141 818 HH12 ARG 103 HH12 ARG 103 -2.639 7.718 12.603 819 HH21 ARG 103 HH21 ARG 103 0.786 7.367 13.433 820 HH22 ARG 103 HH22 ARG 103 -0.796 7.719 14.040 821 H ARG 104 HN ARG 104 0.501 8.128 5.094 822 HA ARG 104 HA ARG 104 -0.092 6.252 2.988 823 HB2 ARG 104 HB2 ARG 104 -0.389 7.982 1.570 824 HB3 ARG 104 HB3 ARG 104 -0.705 8.751 3.108 825 HG2 ARG 104 HG2 ARG 104 1.940 9.365 2.821 826 HG3 ARG 104 HG3 ARG 104 1.528 9.162 1.139 827 HD2 ARG 104 HD2 ARG 104 -0.387 10.858 2.679 828 HD3 ARG 104 HD3 ARG 104 1.269 11.465 2.678 829 HE ARG 104 HE ARG 104 0.976 10.971 0.059 830 HH11 ARG 104 HH11 ARG 104 -1.064 12.807 2.316 831 HH12 ARG 104 HH12 ARG 104 -1.768 13.793 1.077 832 HH21 ARG 104 HH21 ARG 104 0.054 12.173 -1.527 833 HH22 ARG 104 HH22 ARG 104 -1.312 13.219 -1.212 834 H ALA 105 HN ALA 105 2.927 7.783 4.161 835 HA ALA 105 HA ALA 105 4.665 6.599 2.229 836 HB1 ALA 105 HB1 ALA 105 5.156 7.386 5.146 837 HB2 ALA 105 HB2 ALA 105 6.416 6.859 4.038 838 HB3 ALA 105 HB3 ALA 105 5.521 8.343 3.698 839 H THR 106 HN THR 106 3.429 5.290 5.342 840 HA THR 106 HA THR 106 4.919 2.945 5.382 841 HB THR 106 HB THR 106 1.958 3.124 6.131 842 HG1 THR 106 HG1 THR 106 4.102 4.470 7.242 843 HG21 THR 106 HG21 THR 106 2.876 0.901 6.409 844 HG22 THR 106 HG22 THR 106 2.575 1.630 7.990 845 HG23 THR 106 HG23 THR 106 4.240 1.552 7.361 846 H MET 107 HN MET 107 1.844 3.525 3.548 847 HA MET 107 HA MET 107 1.870 0.750 2.731 848 HB2 MET 107 HB2 MET 107 -0.187 1.109 1.823 849 HB3 MET 107 HB3 MET 107 -0.154 2.167 3.216 850 HG2 MET 107 HG2 MET 107 0.751 3.856 1.217 851 HG3 MET 107 HG3 MET 107 -0.327 2.813 0.327 852 HE1 MET 107 HE1 MET 107 -2.521 2.153 2.456 853 HE2 MET 107 HE2 MET 107 -3.693 3.487 2.407 854 HE3 MET 107 HE3 MET 107 -3.104 2.764 0.896 855 H THR 108 HN THR 108 2.971 3.828 1.123 856 HA THR 108 HA THR 108 3.252 2.670 -1.428 857 HB THR 108 HB THR 108 5.195 4.730 -0.381 858 HG1 THR 108 HG1 THR 108 2.527 5.276 -1.151 859 HG21 THR 108 HG21 THR 108 3.690 4.432 -3.027 860 HG22 THR 108 HG22 THR 108 5.393 4.035 -2.754 861 HG23 THR 108 HG23 THR 108 4.848 5.713 -2.637 862 H ASN 109 HN ASN 109 5.464 2.579 1.367 863 HA ASN 109 HA ASN 109 7.697 1.411 0.101 864 HB2 ASN 109 HB2 ASN 109 7.533 2.421 2.420 865 HB3 ASN 109 HB3 ASN 109 6.630 1.052 2.960 866 HD21 ASN 109 HD21 ASN 109 7.979 -1.252 2.620 867 HD22 ASN 109 HD22 ASN 109 9.709 -1.011 2.874 868 H TRP 110 HN TRP 110 4.668 -0.100 1.000 869 HA TRP 110 HA TRP 110 5.653 -2.824 0.305 870 HB2 TRP 110 HB2 TRP 110 4.150 -2.626 2.191 871 HB3 TRP 110 HB3 TRP 110 3.029 -1.632 1.288 872 HD1 TRP 110 HD1 TRP 110 4.024 -5.307 1.729 873 HE1 TRP 110 HE1 TRP 110 2.125 -6.793 0.765 874 HE3 TRP 110 HE3 TRP 110 1.039 -1.659 -0.266 875 HZ2 TRP 110 HZ2 TRP 110 -0.151 -6.443 -1.060 876 HZ3 TRP 110 HZ3 TRP 110 -0.930 -2.280 -1.639 877 HH2 TRP 110 HH2 TRP 110 -1.501 -4.645 -2.020 878 H LEU 111 HN LEU 111 3.746 -0.184 -1.247 879 HA LEU 111 HA LEU 111 2.799 -1.810 -3.381 880 HB2 LEU 111 HB2 LEU 111 3.427 1.129 -3.336 881 HB3 LEU 111 HB3 LEU 111 2.716 0.274 -4.707 882 HG LEU 111 HG LEU 111 1.393 0.345 -1.985 883 HD11 LEU 111 HD11 LEU 111 1.555 2.616 -2.972 884 HD12 LEU 111 HD12 LEU 111 -0.112 2.028 -2.980 885 HD13 LEU 111 HD13 LEU 111 0.839 2.014 -4.482 886 HD21 LEU 111 HD21 LEU 111 0.413 -0.494 -4.756 887 HD22 LEU 111 HD22 LEU 111 -0.615 -0.334 -3.337 888 HD23 LEU 111 HD23 LEU 111 0.649 -1.563 -3.366 889 H LEU 112 HN LEU 112 6.017 -0.193 -3.056 890 HA LEU 112 HA LEU 112 7.058 -1.057 -5.559 891 HB2 LEU 112 HB2 LEU 112 8.391 -0.683 -2.835 892 HB3 LEU 112 HB3 LEU 112 9.267 -1.145 -4.265 893 HG LEU 112 HG LEU 112 9.638 1.115 -3.976 894 HD11 LEU 112 HD11 LEU 112 9.208 0.429 -6.353 895 HD12 LEU 112 HD12 LEU 112 8.944 2.110 -6.081 896 HD13 LEU 112 HD13 LEU 112 7.563 0.992 -6.186 897 HD21 LEU 112 HD21 LEU 112 6.673 1.657 -3.878 898 HD22 LEU 112 HD22 LEU 112 7.969 2.855 -3.771 899 HD23 LEU 112 HD23 LEU 112 7.771 1.643 -2.490 900 H ALA 113 HN ALA 113 6.974 -2.757 -2.433 901 HA ALA 113 HA ALA 113 8.504 -5.060 -3.331 902 HB1 ALA 113 HB1 ALA 113 6.753 -4.755 -0.865 903 HB2 ALA 113 HB2 ALA 113 8.040 -5.956 -1.158 904 HB3 ALA 113 HB3 ALA 113 8.468 -4.246 -0.989 905 H TYR 114 HN TYR 114 5.193 -4.215 -3.937 906 HA TYR 114 HA TYR 114 4.618 -7.047 -4.697 907 HB2 TYR 114 HB2 TYR 114 2.866 -5.709 -4.064 908 HB3 TYR 114 HB3 TYR 114 3.214 -4.424 -5.240 909 HD1 TYR 114 HD1 TYR 114 2.206 -7.953 -4.709 910 HD2 TYR 114 HD2 TYR 114 1.965 -4.547 -7.295 911 HE1 TYR 114 HE1 TYR 114 0.117 -8.850 -5.643 912 HE2 TYR 114 HE2 TYR 114 -0.154 -5.419 -8.270 913 HH TYR 114 HH TYR 114 -1.784 -8.237 -6.832 914 H ARG 115 HN ARG 115 5.302 -3.955 -6.556 915 HA ARG 115 HA ARG 115 5.310 -5.199 -9.058 916 HB2 ARG 115 HB2 ARG 115 5.261 -2.728 -8.511 917 HB3 ARG 115 HB3 ARG 115 6.998 -2.817 -8.148 918 HG2 ARG 115 HG2 ARG 115 7.359 -3.769 -10.417 919 HG3 ARG 115 HG3 ARG 115 5.646 -3.510 -10.791 920 HD2 ARG 115 HD2 ARG 115 6.533 -1.620 -11.733 921 HD3 ARG 115 HD3 ARG 115 6.141 -1.007 -10.127 922 HE ARG 115 HE ARG 115 8.418 -0.842 -9.630 923 HH11 ARG 115 HH11 ARG 115 8.058 -2.575 -12.786 924 HH12 ARG 115 HH12 ARG 115 9.757 -2.504 -13.101 925 HH21 ARG 115 HH21 ARG 115 10.756 -0.987 -10.100 926 HH22 ARG 115 HH22 ARG 115 11.217 -1.738 -11.596 927 H ARG 116 HN ARG 116 7.888 -4.731 -6.788 928 HA ARG 116 HA ARG 116 10.165 -5.755 -8.139 929 HB2 ARG 116 HB2 ARG 116 9.422 -5.578 -5.223 930 HB3 ARG 116 HB3 ARG 116 10.983 -6.134 -5.791 931 HG2 ARG 116 HG2 ARG 116 9.855 -3.420 -6.521 932 HG3 ARG 116 HG3 ARG 116 10.872 -3.697 -5.124 933 HD2 ARG 116 HD2 ARG 116 12.054 -4.852 -7.548 934 HD3 ARG 116 HD3 ARG 116 11.658 -3.161 -7.776 935 HE ARG 116 HE ARG 116 13.245 -4.135 -5.456 936 HH11 ARG 116 HH11 ARG 116 12.987 -1.953 -8.270 937 HH12 ARG 116 HH12 ARG 116 14.681 -1.567 -8.268 938 HH21 ARG 116 HH21 ARG 116 15.496 -3.311 -5.325 939 HH22 ARG 116 HH22 ARG 116 16.023 -2.218 -6.554 940 H SER 117 HN SER 117 7.518 -7.537 -6.877 941 HA SER 117 HA SER 117 8.960 -10.134 -7.283 942 HB2 SER 117 HB2 SER 117 6.337 -9.317 -6.022 943 HB3 SER 117 HB3 SER 117 6.768 -10.997 -6.414 944 HG SER 117 HG SER 117 8.333 -9.302 -4.789 945 H GLN 118 HN GLN 118 6.788 -7.972 -9.002 946 HA GLN 118 HA GLN 118 5.569 -10.141 -10.583 947 HB2 GLN 118 HB2 GLN 118 5.518 -7.118 -10.835 948 HB3 GLN 118 HB3 GLN 118 4.816 -8.229 -12.009 949 HG2 GLN 118 HG2 GLN 118 3.385 -9.180 -10.122 950 HG3 GLN 118 HG3 GLN 118 3.984 -7.875 -9.098 951 HE21 GLN 118 HE21 GLN 118 1.467 -7.682 -9.204 952 HE22 GLN 118 HE22 GLN 118 0.866 -6.514 -10.414 953 H GLN 119 HN GLN 119 8.263 -7.967 -10.632 954 HA GLN 119 HA GLN 119 9.059 -8.582 -13.395 955 HB2 GLN 119 HB2 GLN 119 10.513 -6.767 -13.284 956 HB3 GLN 119 HB3 GLN 119 9.044 -6.209 -12.494 957 HG2 GLN 119 HG2 GLN 119 10.309 -7.000 -10.286 958 HG3 GLN 119 HG3 GLN 119 11.750 -6.890 -11.298 959 HE21 GLN 119 HE21 GLN 119 9.086 -5.127 -9.929 960 HE22 GLN 119 HE22 GLN 119 9.923 -3.548 -9.927 961 H ASP 120 HN ASP 120 9.127 -10.457 -11.053 962 HA ASP 120 HA ASP 120 11.909 -10.952 -10.384 963 HB2 ASP 120 HB2 ASP 120 10.075 -11.742 -8.909 964 HB3 ASP 120 HB3 ASP 120 9.538 -12.831 -10.195 Start of MODEL 12 1 H1 MET 1 HN MET 1 -4.107 -9.284 -6.569 2 HA MET 1 HA MET 1 -5.349 -10.421 -8.296 3 HB2 MET 1 HB2 MET 1 -6.895 -9.488 -9.670 4 HB3 MET 1 HB3 MET 1 -7.318 -8.936 -8.045 5 HG2 MET 1 HG2 MET 1 -6.281 -6.748 -8.556 6 HG3 MET 1 HG3 MET 1 -5.963 -7.288 -10.213 7 HE1 MET 1 HE1 MET 1 -7.835 -4.727 -9.204 8 HE2 MET 1 HE2 MET 1 -9.501 -5.200 -8.798 9 HE3 MET 1 HE3 MET 1 -8.128 -5.793 -7.803 10 H GLY 2 HN GLY 2 -2.664 -8.839 -7.912 11 HA2 GLY 2 HA2 GLY 2 -0.830 -8.700 -9.131 12 HA3 GLY 2 HA1 GLY 2 -1.643 -9.649 -10.382 13 H ILE 3 HN ILE 3 -2.667 -6.417 -9.371 14 HA ILE 3 HA ILE 3 -2.571 -5.279 -11.981 15 HB ILE 3 HB ILE 3 -2.517 -3.901 -9.301 16 HG12 ILE 3 HG12 ILE 3 -5.042 -4.763 -10.743 17 HG13 ILE 3 HG13 ILE 3 -4.360 -5.550 -9.310 18 HG21 ILE 3 HG21 ILE 3 -3.703 -2.021 -10.397 19 HG22 ILE 3 HG22 ILE 3 -2.240 -2.328 -11.247 20 HG23 ILE 3 HG23 ILE 3 -3.773 -2.941 -11.913 21 HD11 ILE 3 HD11 ILE 3 -4.481 -3.313 -8.109 22 HD12 ILE 3 HD12 ILE 3 -5.501 -2.751 -9.433 23 HD13 ILE 3 HD13 ILE 3 -6.011 -4.126 -8.473 24 H THR 4 HN THR 4 -1.198 -3.556 -12.703 25 HA THR 4 HA THR 4 1.644 -3.801 -12.328 26 HB THR 4 HB THR 4 -0.021 -1.653 -13.713 27 HG1 THR 4 HG1 THR 4 0.425 -3.118 -15.577 28 HG21 THR 4 HG21 THR 4 2.328 -1.034 -13.745 29 HG22 THR 4 HG22 THR 4 1.837 -1.562 -15.338 30 HG23 THR 4 HG23 THR 4 2.788 -2.662 -14.307 31 H ILE 5 HN ILE 5 3.069 -1.916 -11.586 32 HA ILE 5 HA ILE 5 1.679 0.355 -10.305 33 HB ILE 5 HB ILE 5 4.271 -1.088 -9.573 34 HG12 ILE 5 HG12 ILE 5 2.210 -2.278 -8.791 35 HG13 ILE 5 HG13 ILE 5 3.355 -1.834 -7.596 36 HG21 ILE 5 HG21 ILE 5 4.772 1.170 -9.093 37 HG22 ILE 5 HG22 ILE 5 3.187 1.464 -8.346 38 HG23 ILE 5 HG23 ILE 5 4.389 0.411 -7.550 39 HD11 ILE 5 HD11 ILE 5 1.884 0.130 -6.934 40 HD12 ILE 5 HD12 ILE 5 0.736 -0.368 -8.188 41 HD13 ILE 5 HD13 ILE 5 1.062 -1.430 -6.805 42 H THR 6 HN THR 6 2.610 2.362 -10.652 43 HA THR 6 HA THR 6 5.043 2.479 -12.255 44 HB THR 6 HB THR 6 3.914 4.804 -13.030 45 HG1 THR 6 HG1 THR 6 1.714 4.400 -13.448 46 HG21 THR 6 HG21 THR 6 3.190 3.433 -15.041 47 HG22 THR 6 HG22 THR 6 3.092 1.987 -13.988 48 HG23 THR 6 HG23 THR 6 4.661 2.751 -14.376 49 H ASP 7 HN ASP 7 6.554 3.856 -11.566 50 HA ASP 7 HA ASP 7 6.690 4.573 -8.848 51 HB2 ASP 7 HB2 ASP 7 8.294 5.293 -11.317 52 HB3 ASP 7 HB3 ASP 7 8.669 5.994 -9.753 53 H GLU 8 HN GLU 8 5.524 6.402 -11.717 54 HA GLU 8 HA GLU 8 5.320 8.968 -10.718 55 HB2 GLU 8 HB2 GLU 8 5.255 8.282 -13.021 56 HB3 GLU 8 HB3 GLU 8 3.983 7.071 -12.708 57 HG2 GLU 8 HG2 GLU 8 2.366 8.662 -12.305 58 HG3 GLU 8 HG3 GLU 8 3.588 9.943 -12.208 59 H LEU 9 HN LEU 9 3.197 6.068 -10.466 60 HA LEU 9 HA LEU 9 1.000 7.528 -9.220 61 HB2 LEU 9 HB2 LEU 9 1.378 4.998 -10.491 62 HB3 LEU 9 HB3 LEU 9 0.918 4.621 -8.849 63 HG LEU 9 HG LEU 9 -0.615 6.625 -10.574 64 HD11 LEU 9 HD11 LEU 9 -2.173 4.807 -11.106 65 HD12 LEU 9 HD12 LEU 9 -1.136 3.642 -10.239 66 HD13 LEU 9 HD13 LEU 9 -0.558 4.442 -11.712 67 HD21 LEU 9 HD21 LEU 9 -1.454 5.007 -8.110 68 HD22 LEU 9 HD22 LEU 9 -2.466 6.153 -9.009 69 HD23 LEU 9 HD23 LEU 9 -1.067 6.744 -8.120 70 H LEU 10 HN LEU 10 3.942 6.030 -8.168 71 HA LEU 10 HA LEU 10 3.096 5.708 -5.392 72 HB2 LEU 10 HB2 LEU 10 5.872 5.692 -6.581 73 HB3 LEU 10 HB3 LEU 10 5.462 5.304 -4.914 74 HG LEU 10 HG LEU 10 4.403 3.766 -7.337 75 HD11 LEU 10 HD11 LEU 10 6.633 3.105 -5.395 76 HD12 LEU 10 HD12 LEU 10 6.836 3.483 -7.107 77 HD13 LEU 10 HD13 LEU 10 5.989 2.021 -6.664 78 HD21 LEU 10 HD21 LEU 10 2.952 3.577 -5.296 79 HD22 LEU 10 HD22 LEU 10 4.370 2.980 -4.390 80 HD23 LEU 10 HD23 LEU 10 3.716 2.075 -5.769 81 H TRP 11 HN TRP 11 4.919 8.120 -7.314 82 HA TRP 11 HA TRP 11 5.534 9.825 -5.139 83 HB2 TRP 11 HB2 TRP 11 5.334 10.196 -8.127 84 HB3 TRP 11 HB3 TRP 11 5.493 11.598 -7.081 85 HD1 TRP 11 HD1 TRP 11 7.607 9.186 -8.823 86 HE1 TRP 11 HE1 TRP 11 10.004 9.206 -7.959 87 HE3 TRP 11 HE3 TRP 11 6.876 11.883 -4.542 88 HZ2 TRP 11 HZ2 TRP 11 11.442 10.235 -5.638 89 HZ3 TRP 11 HZ3 TRP 11 8.774 12.306 -2.977 90 HH2 TRP 11 HH2 TRP 11 11.034 11.429 -3.497 91 H ALA 12 HN ALA 12 2.540 9.782 -7.138 92 HA ALA 12 HA ALA 12 1.374 12.159 -6.253 93 HB1 ALA 12 HB1 ALA 12 0.355 10.696 -7.929 94 HB2 ALA 12 HB2 ALA 12 0.010 9.463 -6.697 95 HB3 ALA 12 HB3 ALA 12 -0.804 11.043 -6.640 96 H ILE 13 HN ILE 13 1.555 9.069 -4.536 97 HA ILE 13 HA ILE 13 -0.229 9.703 -2.405 98 HB ILE 13 HB ILE 13 2.087 7.767 -2.559 99 HG12 ILE 13 HG12 ILE 13 -0.840 6.981 -2.619 100 HG13 ILE 13 HG13 ILE 13 -0.163 7.668 -4.097 101 HG21 ILE 13 HG21 ILE 13 -0.228 7.959 -0.618 102 HG22 ILE 13 HG22 ILE 13 0.995 6.648 -0.700 103 HG23 ILE 13 HG23 ILE 13 1.473 8.252 -0.188 104 HD11 ILE 13 HD11 ILE 13 1.423 6.081 -4.351 105 HD12 ILE 13 HD12 ILE 13 1.280 5.444 -2.722 106 HD13 ILE 13 HD13 ILE 13 -0.039 5.182 -3.914 107 H LEU 14 HN LEU 14 3.402 9.781 -2.635 108 HA LEU 14 HA LEU 14 3.995 10.858 -0.138 109 HB2 LEU 14 HB2 LEU 14 5.283 10.705 -2.880 110 HB3 LEU 14 HB3 LEU 14 6.062 11.630 -1.622 111 HG LEU 14 HG LEU 14 6.338 9.771 -0.226 112 HD11 LEU 14 HD11 LEU 14 5.682 7.485 -0.635 113 HD12 LEU 14 HD12 LEU 14 4.713 7.997 -2.041 114 HD13 LEU 14 HD13 LEU 14 4.281 8.522 -0.388 115 HD21 LEU 14 HD21 LEU 14 7.924 9.963 -2.130 116 HD22 LEU 14 HD22 LEU 14 6.915 8.866 -3.094 117 HD23 LEU 14 HD23 LEU 14 7.733 8.285 -1.635 118 H LYS 15 HN LYS 15 3.266 12.518 -3.254 119 HA LYS 15 HA LYS 15 3.540 15.148 -2.014 120 HB2 LYS 15 HB2 LYS 15 2.296 14.400 -4.686 121 HB3 LYS 15 HB3 LYS 15 2.751 16.014 -4.146 122 HG2 LYS 15 HG2 LYS 15 4.593 13.737 -4.921 123 HG3 LYS 15 HG3 LYS 15 4.457 15.339 -5.627 124 HD2 LYS 15 HD2 LYS 15 5.372 16.298 -3.479 125 HD3 LYS 15 HD3 LYS 15 5.581 14.659 -2.874 126 HE2 LYS 15 HE2 LYS 15 7.704 15.329 -3.629 127 HE3 LYS 15 HE3 LYS 15 7.105 14.145 -4.804 128 HZ1 LYS 15 HZ1 LYS 15 8.183 16.113 -5.750 129 HZ2 LYS 15 HZ2 LYS 15 6.991 17.073 -5.180 130 HZ3 LYS 15 HZ3 LYS 15 6.665 15.901 -6.325 131 H ASP 16 HN ASP 16 1.221 12.865 -1.397 132 HA ASP 16 HA ASP 16 -0.854 12.863 -0.572 133 HB2 ASP 16 HB2 ASP 16 0.440 14.207 1.102 134 HB3 ASP 16 HB3 ASP 16 -0.227 15.671 0.333 135 H GLU 17 HN GLU 17 -0.804 13.355 -3.292 136 HA GLU 17 HA GLU 17 -2.815 15.354 -3.905 137 HB2 GLU 17 HB2 GLU 17 -1.036 15.037 -5.514 138 HB3 GLU 17 HB3 GLU 17 -1.030 13.309 -5.281 139 HG2 GLU 17 HG2 GLU 17 -1.836 13.619 -7.394 140 HG3 GLU 17 HG3 GLU 17 -3.157 13.044 -6.405 141 H LEU 18 HN LEU 18 -2.428 12.032 -3.014 142 HA LEU 18 HA LEU 18 -5.240 11.282 -3.588 143 HB2 LEU 18 HB2 LEU 18 -2.785 9.842 -2.577 144 HB3 LEU 18 HB3 LEU 18 -4.314 9.159 -2.167 145 HG LEU 18 HG LEU 18 -4.368 9.908 -4.946 146 HD11 LEU 18 HD11 LEU 18 -2.759 8.439 -5.880 147 HD12 LEU 18 HD12 LEU 18 -2.304 7.891 -4.250 148 HD13 LEU 18 HD13 LEU 18 -1.958 9.570 -4.784 149 HD21 LEU 18 HD21 LEU 18 -5.257 7.867 -5.456 150 HD22 LEU 18 HD22 LEU 18 -5.955 8.335 -3.910 151 HD23 LEU 18 HD23 LEU 18 -4.677 7.098 -3.997 152 H SER 19 HN SER 19 -5.527 9.874 -1.082 153 HA SER 19 HA SER 19 -5.984 12.093 0.806 154 HB2 SER 19 HB2 SER 19 -7.862 11.942 -0.940 155 HB3 SER 19 HB3 SER 19 -8.223 10.339 -0.285 156 HG SER 19 HG SER 19 -9.547 11.912 0.457 157 H ASP 20 HN ASP 20 -7.477 10.843 2.684 158 HA ASP 20 HA ASP 20 -5.695 8.796 3.739 159 HB2 ASP 20 HB2 ASP 20 -8.461 9.556 4.715 160 HB3 ASP 20 HB3 ASP 20 -7.330 8.513 5.548 161 H ALA 21 HN ALA 21 -9.176 8.639 2.784 162 HA ALA 21 HA ALA 21 -9.257 5.804 2.578 163 HB1 ALA 21 HB1 ALA 21 -11.283 7.152 2.809 164 HB2 ALA 21 HB2 ALA 21 -10.960 7.970 1.258 165 HB3 ALA 21 HB3 ALA 21 -11.323 6.234 1.275 166 H GLU 22 HN GLU 22 -8.693 8.316 0.072 167 HA GLU 22 HA GLU 22 -8.865 6.329 -2.020 168 HB2 GLU 22 HB2 GLU 22 -7.903 9.213 -2.174 169 HB3 GLU 22 HB3 GLU 22 -8.228 8.138 -3.542 170 HG2 GLU 22 HG2 GLU 22 -10.559 7.775 -2.582 171 HG3 GLU 22 HG3 GLU 22 -10.239 9.120 -1.479 172 H ALA 23 HN ALA 23 -6.105 7.749 -0.234 173 HA ALA 23 HA ALA 23 -4.165 6.705 -2.099 174 HB1 ALA 23 HB1 ALA 23 -2.501 7.010 -0.458 175 HB2 ALA 23 HB2 ALA 23 -3.559 8.394 -0.320 176 HB3 ALA 23 HB3 ALA 23 -3.686 7.083 0.873 177 H ASN 24 HN ASN 24 -5.990 5.476 0.729 178 HA ASN 24 HA ASN 24 -4.781 2.957 1.242 179 HB2 ASN 24 HB2 ASN 24 -7.153 4.445 2.029 180 HB3 ASN 24 HB3 ASN 24 -7.653 2.841 1.571 181 HD21 ASN 24 HD21 ASN 24 -7.905 3.980 4.117 182 HD22 ASN 24 HD22 ASN 24 -6.858 3.202 5.259 183 H ALA 25 HN ALA 25 -7.539 3.872 -0.818 184 HA ALA 25 HA ALA 25 -8.379 1.460 -1.681 185 HB1 ALA 25 HB1 ALA 25 -8.163 3.949 -3.420 186 HB2 ALA 25 HB2 ALA 25 -9.282 2.596 -3.664 187 HB3 ALA 25 HB3 ALA 25 -9.435 3.632 -2.221 188 H LEU 26 HN LEU 26 -5.714 3.273 -3.280 189 HA LEU 26 HA LEU 26 -5.098 1.502 -5.360 190 HB2 LEU 26 HB2 LEU 26 -3.273 3.218 -3.624 191 HB3 LEU 26 HB3 LEU 26 -2.799 2.502 -5.154 192 HG LEU 26 HG LEU 26 -4.993 4.583 -4.845 193 HD11 LEU 26 HD11 LEU 26 -2.101 4.795 -5.789 194 HD12 LEU 26 HD12 LEU 26 -2.790 5.503 -4.311 195 HD13 LEU 26 HD13 LEU 26 -3.311 6.080 -5.902 196 HD21 LEU 26 HD21 LEU 26 -3.661 3.369 -7.316 197 HD22 LEU 26 HD22 LEU 26 -4.749 4.771 -7.317 198 HD23 LEU 26 HD23 LEU 26 -5.367 3.190 -6.837 199 H VAL 27 HN VAL 27 -4.473 0.975 -1.923 200 HA VAL 27 HA VAL 27 -2.487 -1.153 -2.452 201 HB VAL 27 HB VAL 27 -3.814 -0.258 0.152 202 HG11 VAL 27 HG11 VAL 27 -1.932 -1.373 1.255 203 HG12 VAL 27 HG12 VAL 27 -2.856 -2.521 0.268 204 HG13 VAL 27 HG13 VAL 27 -1.294 -1.909 -0.325 205 HG21 VAL 27 HG21 VAL 27 -2.503 1.614 -0.804 206 HG22 VAL 27 HG22 VAL 27 -1.767 0.962 0.638 207 HG23 VAL 27 HG23 VAL 27 -1.072 0.545 -0.948 208 H TRP 28 HN TRP 28 -5.867 -0.694 -1.238 209 HA TRP 28 HA TRP 28 -6.503 -3.388 -0.815 210 HB2 TRP 28 HB2 TRP 28 -8.375 -1.196 -1.763 211 HB3 TRP 28 HB3 TRP 28 -8.808 -2.645 -0.896 212 HD1 TRP 28 HD1 TRP 28 -6.190 -1.953 1.255 213 HE1 TRP 28 HE1 TRP 28 -6.817 -0.434 3.226 214 HE3 TRP 28 HE3 TRP 28 -10.416 0.204 -0.687 215 HZ2 TRP 28 HZ2 TRP 28 -8.937 1.272 3.933 216 HZ3 TRP 28 HZ3 TRP 28 -11.715 1.808 0.669 217 HH2 TRP 28 HH2 TRP 28 -11.023 2.345 2.975 218 H GLN 29 HN GLN 29 -6.817 -1.456 -3.826 219 HA GLN 29 HA GLN 29 -7.986 -3.501 -5.412 220 HB2 GLN 29 HB2 GLN 29 -7.024 -2.282 -7.375 221 HB3 GLN 29 HB3 GLN 29 -8.037 -1.326 -6.309 222 HG2 GLN 29 HG2 GLN 29 -6.266 -0.140 -5.560 223 HG3 GLN 29 HG3 GLN 29 -5.035 -1.321 -5.981 224 HE21 GLN 29 HE21 GLN 29 -7.581 0.458 -7.814 225 HE22 GLN 29 HE22 GLN 29 -6.487 1.030 -9.041 226 H ALA 30 HN ALA 30 -4.498 -2.821 -4.756 227 HA ALA 30 HA ALA 30 -3.486 -4.631 -6.672 228 HB1 ALA 30 HB1 ALA 30 -2.130 -2.838 -5.664 229 HB2 ALA 30 HB2 ALA 30 -2.239 -3.627 -4.074 230 HB3 ALA 30 HB3 ALA 30 -1.370 -4.419 -5.403 231 H LEU 31 HN LEU 31 -4.170 -5.031 -3.171 232 HA LEU 31 HA LEU 31 -3.535 -7.821 -3.020 233 HB2 LEU 31 HB2 LEU 31 -5.495 -6.094 -1.449 234 HB3 LEU 31 HB3 LEU 31 -5.423 -7.831 -1.237 235 HG LEU 31 HG LEU 31 -4.148 -6.975 0.513 236 HD11 LEU 31 HD11 LEU 31 -1.947 -7.846 0.224 237 HD12 LEU 31 HD12 LEU 31 -2.056 -7.758 -1.531 238 HD13 LEU 31 HD13 LEU 31 -3.085 -8.895 -0.633 239 HD21 LEU 31 HD21 LEU 31 -2.746 -5.185 -1.474 240 HD22 LEU 31 HD22 LEU 31 -2.273 -5.384 0.224 241 HD23 LEU 31 HD23 LEU 31 -3.866 -4.717 -0.212 242 H GLY 32 HN GLY 32 -6.586 -6.158 -3.867 243 HA2 GLY 32 HA2 GLY 32 -7.686 -7.030 -5.888 244 HA3 GLY 32 HA1 GLY 32 -7.374 -8.660 -5.319 245 H TYR 33 HN TYR 33 -8.396 -6.221 -2.939 246 HA TYR 33 HA TYR 33 -10.725 -7.843 -2.374 247 HB2 TYR 33 HB2 TYR 33 -9.875 -5.120 -1.336 248 HB3 TYR 33 HB3 TYR 33 -11.271 -6.042 -0.787 249 HD1 TYR 33 HD2 TYR 33 -11.029 -8.131 0.500 250 HD2 TYR 33 HD1 TYR 33 -7.635 -5.704 -0.562 251 HE1 TYR 33 HE2 TYR 33 -9.721 -9.205 2.300 252 HE2 TYR 33 HE1 TYR 33 -6.280 -6.830 1.175 253 HH TYR 33 HH TYR 33 -7.582 -9.271 3.428 254 H VAL 34 HN VAL 34 -10.175 -4.710 -4.026 255 HA VAL 34 HA VAL 34 -11.575 -3.373 -5.196 256 HB VAL 34 HB VAL 34 -10.511 -4.495 -6.809 257 HG11 VAL 34 HG11 VAL 34 -10.483 -6.778 -6.249 258 HG12 VAL 34 HG12 VAL 34 -12.254 -6.935 -6.373 259 HG13 VAL 34 HG13 VAL 34 -11.251 -6.684 -7.820 260 HG21 VAL 34 HG21 VAL 34 -11.978 -4.354 -8.616 261 HG22 VAL 34 HG22 VAL 34 -13.331 -5.049 -7.712 262 HG23 VAL 34 HG23 VAL 34 -12.801 -3.382 -7.360 263 H TRP 35 HN TRP 35 -13.230 -2.505 -4.126 264 HA TRP 35 HA TRP 35 -15.523 -3.664 -3.179 265 HB2 TRP 35 HB2 TRP 35 -14.805 -1.506 -2.697 266 HB3 TRP 35 HB3 TRP 35 -14.958 -0.921 -4.341 267 HD1 TRP 35 HD1 TRP 35 -17.237 -0.141 -5.199 268 HE1 TRP 35 HE1 TRP 35 -19.482 0.404 -4.103 269 HE3 TRP 35 HE3 TRP 35 -16.486 -2.487 -0.755 270 HZ2 TRP 35 HZ2 TRP 35 -20.800 -0.128 -1.539 271 HZ3 TRP 35 HZ3 TRP 35 -18.215 -2.450 1.020 272 HH2 TRP 35 HH2 TRP 35 -20.381 -1.283 0.629 273 H ASP 36 HN ASP 36 -17.133 -4.661 -3.944 274 HA ASP 36 HA ASP 36 -17.956 -4.763 -6.743 275 HB2 ASP 36 HB2 ASP 36 -18.762 -6.299 -4.207 276 HB3 ASP 36 HB3 ASP 36 -19.441 -6.544 -5.887 277 H GLU 37 HN GLU 37 -18.660 -2.493 -6.682 278 HA GLU 37 HA GLU 37 -20.525 -1.409 -4.889 279 HB2 GLU 37 HB2 GLU 37 -19.232 -0.177 -6.615 280 HB3 GLU 37 HB3 GLU 37 -20.158 -0.975 -7.865 281 HG2 GLU 37 HG2 GLU 37 -22.245 0.166 -6.901 282 HG3 GLU 37 HG3 GLU 37 -21.151 1.087 -5.857 283 H ALA 38 HN ALA 38 -21.066 -3.719 -7.426 284 HA ALA 38 HA ALA 38 -23.954 -3.484 -7.552 285 HB1 ALA 38 HB1 ALA 38 -22.577 -4.341 -9.423 286 HB2 ALA 38 HB2 ALA 38 -22.046 -5.706 -8.403 287 HB3 ALA 38 HB3 ALA 38 -23.752 -5.551 -8.877 288 H GLN 39 HN GLN 39 -21.681 -5.226 -5.419 289 HA GLN 39 HA GLN 39 -23.837 -6.878 -4.247 290 HB2 GLN 39 HB2 GLN 39 -20.929 -7.191 -4.233 291 HB3 GLN 39 HB3 GLN 39 -22.072 -7.977 -3.153 292 HG2 GLN 39 HG2 GLN 39 -21.403 -8.738 -5.671 293 HG3 GLN 39 HG3 GLN 39 -22.461 -9.522 -4.441 294 HE21 GLN 39 HE21 GLN 39 -22.287 -8.073 -7.523 295 HE22 GLN 39 HE22 GLN 39 -24.025 -7.675 -7.604 296 H SER 40 HN SER 40 -22.373 -3.825 -3.747 297 HA SER 40 HA SER 40 -21.682 -2.570 -2.098 298 HB2 SER 40 HB2 SER 40 -23.162 -2.324 -0.180 299 HB3 SER 40 HB3 SER 40 -24.031 -2.365 -1.712 300 HG SER 40 HG SER 40 -23.773 -4.844 -0.615 301 H CYS 41 HN CYS 41 -20.124 -4.928 -2.312 302 HA CYS 41 HA CYS 41 -19.148 -5.291 0.440 303 HB2 CYS 41 HB2 CYS 41 -20.172 -7.545 -1.351 304 HB3 CYS 41 HB3 CYS 41 -19.027 -7.829 -0.036 305 HG CYS 41 HG CYS 41 -20.438 -6.713 1.843 306 H TRP 42 HN TRP 42 -17.170 -6.980 0.148 307 HA TRP 42 HA TRP 42 -15.428 -5.841 -1.977 308 HB2 TRP 42 HB2 TRP 42 -14.797 -7.311 0.623 309 HB3 TRP 42 HB3 TRP 42 -13.648 -6.541 -0.456 310 HD1 TRP 42 HD1 TRP 42 -15.984 -5.728 2.459 311 HE1 TRP 42 HE1 TRP 42 -16.027 -3.244 2.933 312 HE3 TRP 42 HE3 TRP 42 -13.118 -4.124 -1.458 313 HZ2 TRP 42 HZ2 TRP 42 -14.779 -0.856 1.893 314 HZ3 TRP 42 HZ3 TRP 42 -12.442 -1.723 -1.614 315 HH2 TRP 42 HH2 TRP 42 -13.305 -0.087 0.043 316 H LYS 43 HN LYS 43 -14.729 -7.348 -3.590 317 HA LYS 43 HA LYS 43 -15.362 -10.172 -3.550 318 HB2 LYS 43 HB2 LYS 43 -13.241 -8.584 -4.888 319 HB3 LYS 43 HB3 LYS 43 -13.446 -10.397 -5.080 320 HG2 LYS 43 HG2 LYS 43 -15.898 -9.383 -5.434 321 HG3 LYS 43 HG3 LYS 43 -14.778 -8.156 -6.146 322 HD2 LYS 43 HD2 LYS 43 -14.128 -9.651 -7.830 323 HD3 LYS 43 HD3 LYS 43 -15.197 -10.949 -7.167 324 HE2 LYS 43 HE2 LYS 43 -16.386 -8.208 -7.260 325 HE3 LYS 43 HE3 LYS 43 -16.030 -8.727 -8.792 326 HZ1 LYS 43 HZ1 LYS 43 -17.441 -10.778 -8.268 327 HZ2 LYS 43 HZ2 LYS 43 -18.204 -9.309 -8.312 328 HZ3 LYS 43 HZ3 LYS 43 -17.826 -9.919 -6.864 329 H THR 44 HN THR 44 -13.800 -11.889 -2.999 330 HA THR 44 HA THR 44 -11.228 -11.045 -1.758 331 HB THR 44 HB THR 44 -11.670 -13.109 -0.149 332 HG1 THR 44 HG1 THR 44 -13.721 -13.698 -0.735 333 HG21 THR 44 HG21 THR 44 -12.968 -10.418 0.407 334 HG22 THR 44 HG22 THR 44 -11.224 -10.744 0.524 335 HG23 THR 44 HG23 THR 44 -12.357 -11.594 1.581 336 H ASP 45 HN ASP 45 -12.347 -12.406 -4.375 337 HA ASP 45 HA ASP 45 -11.340 -15.121 -4.334 338 HB2 ASP 45 HB2 ASP 45 -12.673 -13.197 -6.222 339 HB3 ASP 45 HB3 ASP 45 -11.725 -14.464 -6.962 340 H LEU 46 HN LEU 46 -10.314 -11.994 -5.722 341 HA LEU 46 HA LEU 46 -7.991 -13.287 -6.955 342 HB2 LEU 46 HB2 LEU 46 -8.937 -10.435 -7.211 343 HB3 LEU 46 HB3 LEU 46 -7.650 -11.229 -8.116 344 HG LEU 46 HG LEU 46 -10.583 -12.013 -8.295 345 HD11 LEU 46 HD11 LEU 46 -10.027 -9.768 -9.243 346 HD12 LEU 46 HD12 LEU 46 -10.508 -10.943 -10.477 347 HD13 LEU 46 HD13 LEU 46 -8.793 -10.544 -10.269 348 HD21 LEU 46 HD21 LEU 46 -8.090 -12.948 -9.811 349 HD22 LEU 46 HD22 LEU 46 -9.754 -13.293 -10.310 350 HD23 LEU 46 HD23 LEU 46 -9.152 -13.933 -8.780 351 H VAL 47 HN VAL 47 -8.346 -12.862 -3.987 352 HA VAL 47 HA VAL 47 -5.890 -11.250 -3.449 353 HB VAL 47 HB VAL 47 -8.089 -12.128 -1.552 354 HG11 VAL 47 HG11 VAL 47 -7.034 -10.440 0.018 355 HG12 VAL 47 HG12 VAL 47 -5.963 -11.783 -0.361 356 HG13 VAL 47 HG13 VAL 47 -5.712 -10.230 -1.155 357 HG21 VAL 47 HG21 VAL 47 -9.005 -10.410 -3.042 358 HG22 VAL 47 HG22 VAL 47 -8.816 -9.792 -1.403 359 HG23 VAL 47 HG23 VAL 47 -7.628 -9.351 -2.642 360 H ALA 48 HN ALA 48 -4.229 -12.286 -2.279 361 HA ALA 48 HA ALA 48 -3.990 -15.124 -2.503 362 HB1 ALA 48 HB1 ALA 48 -1.956 -14.813 -1.158 363 HB2 ALA 48 HB2 ALA 48 -2.059 -13.569 -2.404 364 HB3 ALA 48 HB3 ALA 48 -2.457 -13.164 -0.718 365 HA PRO 49 HA PRO 49 -6.216 -16.432 1.082 366 HB2 PRO 49 HB2 PRO 49 -4.885 -18.684 1.927 367 HB3 PRO 49 HB3 PRO 49 -5.897 -18.609 0.457 368 HG2 PRO 49 HG2 PRO 49 -2.895 -18.403 0.666 369 HG3 PRO 49 HG3 PRO 49 -3.870 -19.316 -0.528 370 HD2 PRO 49 HD2 PRO 49 -2.755 -16.855 -1.021 371 HD3 PRO 49 HD3 PRO 49 -4.274 -17.358 -1.788 372 H GLU 50 HN GLU 50 -2.800 -15.672 1.395 373 HA GLU 50 HA GLU 50 -2.789 -15.529 4.278 374 HB2 GLU 50 HB2 GLU 50 -0.589 -14.643 4.026 375 HB3 GLU 50 HB3 GLU 50 -0.800 -16.002 2.921 376 HG2 GLU 50 HG2 GLU 50 -1.202 -14.278 1.071 377 HG3 GLU 50 HG3 GLU 50 -0.718 -13.043 2.235 378 H TRP 51 HN TRP 51 -4.442 -13.600 2.109 379 HA TRP 51 HA TRP 51 -4.308 -11.249 3.946 380 HB2 TRP 51 HB2 TRP 51 -4.222 -11.322 0.951 381 HB3 TRP 51 HB3 TRP 51 -5.073 -10.003 1.751 382 HD1 TRP 51 HD1 TRP 51 -1.693 -11.317 1.033 383 HE1 TRP 51 HE1 TRP 51 0.146 -9.764 1.970 384 HE3 TRP 51 HE3 TRP 51 -4.677 -8.079 3.618 385 HZ2 TRP 51 HZ2 TRP 51 0.226 -7.220 3.447 386 HZ3 TRP 51 HZ3 TRP 51 -3.705 -6.079 4.725 387 HH2 TRP 51 HH2 TRP 51 -1.272 -5.623 4.611 388 H ARG 52 HN ARG 52 -6.491 -13.041 1.602 389 HA ARG 52 HA ARG 52 -8.750 -11.495 2.621 390 HB2 ARG 52 HB2 ARG 52 -10.116 -13.188 1.423 391 HB3 ARG 52 HB3 ARG 52 -9.006 -12.286 0.423 392 HG2 ARG 52 HG2 ARG 52 -7.788 -14.122 -0.158 393 HG3 ARG 52 HG3 ARG 52 -7.855 -14.834 1.454 394 HD2 ARG 52 HD2 ARG 52 -10.495 -14.889 0.120 395 HD3 ARG 52 HD3 ARG 52 -9.249 -15.633 -0.837 396 HE ARG 52 HE ARG 52 -9.013 -17.317 0.523 397 HH11 ARG 52 HH11 ARG 52 -10.751 -14.918 2.642 398 HH12 ARG 52 HH12 ARG 52 -10.995 -16.090 3.868 399 HH21 ARG 52 HH21 ARG 52 -9.660 -18.838 2.162 400 HH22 ARG 52 HH22 ARG 52 -10.483 -18.273 3.569 401 H GLN 53 HN GLN 53 -6.957 -13.832 4.176 402 HA GLN 53 HA GLN 53 -8.322 -16.021 4.414 403 HB2 GLN 53 HB2 GLN 53 -6.061 -15.176 5.566 404 HB3 GLN 53 HB3 GLN 53 -7.076 -15.083 6.997 405 HG2 GLN 53 HG2 GLN 53 -7.740 -17.470 6.665 406 HG3 GLN 53 HG3 GLN 53 -6.699 -17.546 5.242 407 HE21 GLN 53 HE21 GLN 53 -4.362 -17.088 5.570 408 HE22 GLN 53 HE22 GLN 53 -3.597 -17.517 7.103 409 H ASP 54 HN ASP 54 -8.884 -13.396 6.788 410 HA ASP 54 HA ASP 54 -11.533 -14.467 7.404 411 HB2 ASP 54 HB2 ASP 54 -9.550 -15.300 8.910 412 HB3 ASP 54 HB3 ASP 54 -9.581 -13.687 9.601 413 H TYR 55 HN TYR 55 -10.549 -12.348 5.808 414 HA TYR 55 HA TYR 55 -10.682 -9.817 7.342 415 HB2 TYR 55 HB2 TYR 55 -9.103 -10.611 4.900 416 HB3 TYR 55 HB3 TYR 55 -9.574 -8.944 5.150 417 HD1 TYR 55 HD1 TYR 55 -8.342 -11.522 7.641 418 HD2 TYR 55 HD2 TYR 55 -7.648 -7.699 5.716 419 HE1 TYR 55 HE1 TYR 55 -6.533 -11.077 9.201 420 HE2 TYR 55 HE2 TYR 55 -5.835 -7.241 7.340 421 HH TYR 55 HH TYR 55 -5.142 -7.937 9.585 422 HA PRO 56 HA PRO 56 -14.490 -9.985 4.727 423 HB2 PRO 56 HB2 PRO 56 -16.163 -8.588 6.390 424 HB3 PRO 56 HB3 PRO 56 -15.817 -10.332 6.575 425 HG2 PRO 56 HG2 PRO 56 -14.521 -8.016 8.043 426 HG3 PRO 56 HG3 PRO 56 -15.183 -9.536 8.729 427 HD2 PRO 56 HD2 PRO 56 -12.536 -9.218 8.219 428 HD3 PRO 56 HD3 PRO 56 -13.317 -10.793 7.947 429 H GLU 57 HN GLU 57 -12.593 -7.405 6.107 430 HA GLU 57 HA GLU 57 -13.879 -5.290 4.425 431 HB2 GLU 57 HB2 GLU 57 -13.191 -5.372 7.393 432 HB3 GLU 57 HB3 GLU 57 -13.494 -3.855 6.539 433 HG2 GLU 57 HG2 GLU 57 -15.732 -4.612 5.878 434 HG3 GLU 57 HG3 GLU 57 -15.471 -6.157 6.673 435 HA PRO 58 HA PRO 58 -9.798 -4.183 3.479 436 HB2 PRO 58 HB2 PRO 58 -9.701 -1.380 3.835 437 HB3 PRO 58 HB3 PRO 58 -10.126 -2.265 2.352 438 HG2 PRO 58 HG2 PRO 58 -11.925 -0.956 4.337 439 HG3 PRO 58 HG3 PRO 58 -12.188 -1.285 2.594 440 HD2 PRO 58 HD2 PRO 58 -13.368 -2.741 4.632 441 HD3 PRO 58 HD3 PRO 58 -13.007 -3.409 3.010 442 HA PRO 59 HA PRO 59 -7.534 -3.376 7.331 443 HB2 PRO 59 HB2 PRO 59 -5.041 -2.996 6.280 444 HB3 PRO 59 HB3 PRO 59 -5.799 -4.592 6.606 445 HG2 PRO 59 HG2 PRO 59 -5.447 -3.253 3.958 446 HG3 PRO 59 HG3 PRO 59 -5.527 -4.983 4.352 447 HD2 PRO 59 HD2 PRO 59 -7.591 -3.368 3.326 448 HD3 PRO 59 HD3 PRO 59 -7.777 -5.006 4.030 449 H ASP 60 HN ASP 60 -7.788 -1.457 8.315 450 HA ASP 60 HA ASP 60 -7.520 1.090 6.886 451 HB2 ASP 60 HB2 ASP 60 -9.222 0.527 8.755 452 HB3 ASP 60 HB3 ASP 60 -7.869 0.717 9.882 453 H PHE 61 HN PHE 61 -5.492 2.097 6.653 454 HA PHE 61 HA PHE 61 -3.407 1.459 8.671 455 HB2 PHE 61 HB2 PHE 61 -3.141 2.504 5.862 456 HB3 PHE 61 HB3 PHE 61 -1.811 2.193 6.967 457 HD1 PHE 61 HD1 PHE 61 -4.492 0.612 4.971 458 HD2 PHE 61 HD2 PHE 61 -0.972 -0.044 7.356 459 HE1 PHE 61 HE1 PHE 61 -4.279 -1.570 4.008 460 HE2 PHE 61 HE2 PHE 61 -0.884 -2.388 6.541 461 HZ PHE 61 HZ PHE 61 -2.516 -3.177 4.823 462 H ILE 62 HN ILE 62 -5.488 4.107 7.828 463 HA ILE 62 HA ILE 62 -3.511 6.135 8.610 464 HB ILE 62 HB ILE 62 -6.417 6.442 7.807 465 HG12 ILE 62 HG12 ILE 62 -5.219 7.898 6.036 466 HG13 ILE 62 HG13 ILE 62 -3.740 7.131 6.549 467 HG21 ILE 62 HG21 ILE 62 -6.174 8.776 8.004 468 HG22 ILE 62 HG22 ILE 62 -5.670 8.154 9.566 469 HG23 ILE 62 HG23 ILE 62 -4.437 8.694 8.388 470 HD11 ILE 62 HD11 ILE 62 -4.659 4.942 5.696 471 HD12 ILE 62 HD12 ILE 62 -6.151 5.812 5.240 472 HD13 ILE 62 HD13 ILE 62 -4.623 6.200 4.457 473 H ALA 63 HN ALA 63 -6.637 4.831 9.865 474 HA ALA 63 HA ALA 63 -6.309 6.167 12.449 475 HB1 ALA 63 HB1 ALA 63 -8.561 5.743 11.468 476 HB2 ALA 63 HB2 ALA 63 -8.266 3.986 11.513 477 HB3 ALA 63 HB3 ALA 63 -8.359 4.917 13.014 478 H SER 64 HN SER 64 -6.352 2.834 11.207 479 HA SER 64 HA SER 64 -5.242 1.820 13.759 480 HB2 SER 64 HB2 SER 64 -7.313 1.017 12.091 481 HB3 SER 64 HB3 SER 64 -6.012 -0.044 11.557 482 HG SER 64 HG SER 64 -7.225 0.275 14.091 483 H ARG 65 HN ARG 65 -3.466 0.225 13.714 484 HA ARG 65 HA ARG 65 -2.108 -0.033 11.109 485 HB2 ARG 65 HB2 ARG 65 0.145 0.369 12.048 486 HB3 ARG 65 HB3 ARG 65 -0.911 1.760 12.072 487 HG2 ARG 65 HG2 ARG 65 0.281 1.876 14.054 488 HG3 ARG 65 HG3 ARG 65 -1.316 1.367 14.543 489 HD2 ARG 65 HD2 ARG 65 -0.485 -0.975 14.784 490 HD3 ARG 65 HD3 ARG 65 1.089 -0.469 14.186 491 HE ARG 65 HE ARG 65 -0.260 0.312 16.738 492 HH11 ARG 65 HH11 ARG 65 2.850 0.024 14.939 493 HH12 ARG 65 HH12 ARG 65 3.795 0.232 16.368 494 HH21 ARG 65 HH21 ARG 65 1.046 0.613 18.560 495 HH22 ARG 65 HH22 ARG 65 2.765 0.718 18.443 496 HA PRO 66 HA PRO 66 -1.919 -3.956 13.568 497 HB2 PRO 66 HB2 PRO 66 -4.125 -5.420 12.885 498 HB3 PRO 66 HB3 PRO 66 -4.091 -4.246 14.243 499 HG2 PRO 66 HG2 PRO 66 -5.151 -3.797 11.456 500 HG3 PRO 66 HG3 PRO 66 -5.887 -3.356 13.035 501 HD2 PRO 66 HD2 PRO 66 -4.481 -1.581 11.493 502 HD3 PRO 66 HD3 PRO 66 -4.511 -1.541 13.294 503 H ALA 67 HN ALA 67 -3.435 -3.559 10.349 504 HA ALA 67 HA ALA 67 -2.199 -5.849 9.132 505 HB1 ALA 67 HB1 ALA 67 -3.062 -4.932 7.048 506 HB2 ALA 67 HB2 ALA 67 -4.291 -4.878 8.325 507 HB3 ALA 67 HB3 ALA 67 -3.433 -3.398 7.852 508 H THR 68 HN THR 68 -0.861 -2.825 10.050 509 HA THR 68 HA THR 68 1.069 -2.458 7.951 510 HB THR 68 HB THR 68 1.156 -1.737 10.910 511 HG1 THR 68 HG1 THR 68 -0.578 -0.847 9.624 512 HG21 THR 68 HG21 THR 68 2.837 -0.824 8.546 513 HG22 THR 68 HG22 THR 68 3.394 -1.607 10.044 514 HG23 THR 68 HG23 THR 68 2.763 0.038 10.105 515 H VAL 69 HN VAL 69 0.932 -4.627 10.789 516 HA VAL 69 HA VAL 69 3.578 -5.700 10.544 517 HB VAL 69 HB VAL 69 0.987 -6.941 11.586 518 HG11 VAL 69 HG11 VAL 69 3.844 -7.638 12.358 519 HG12 VAL 69 HG12 VAL 69 2.358 -8.428 12.906 520 HG13 VAL 69 HG13 VAL 69 2.875 -8.583 11.214 521 HG21 VAL 69 HG21 VAL 69 1.424 -4.835 12.812 522 HG22 VAL 69 HG22 VAL 69 1.824 -6.210 13.841 523 HG23 VAL 69 HG23 VAL 69 3.118 -5.301 13.042 524 H LYS 70 HN LYS 70 0.434 -6.416 9.029 525 HA LYS 70 HA LYS 70 1.148 -8.827 7.714 526 HB2 LYS 70 HB2 LYS 70 -1.142 -7.765 8.328 527 HB3 LYS 70 HB3 LYS 70 -1.032 -6.936 6.773 528 HG2 LYS 70 HG2 LYS 70 -1.009 -9.069 5.586 529 HG3 LYS 70 HG3 LYS 70 -0.814 -9.935 7.100 530 HD2 LYS 70 HD2 LYS 70 -3.053 -8.808 7.839 531 HD3 LYS 70 HD3 LYS 70 -3.243 -8.351 6.174 532 HE2 LYS 70 HE2 LYS 70 -4.538 -10.293 6.498 533 HE3 LYS 70 HE3 LYS 70 -3.123 -10.815 5.560 534 HZ1 LYS 70 HZ1 LYS 70 -3.836 -12.195 7.553 535 HZ2 LYS 70 HZ2 LYS 70 -3.183 -11.024 8.506 536 HZ3 LYS 70 HZ3 LYS 70 -2.239 -11.853 7.435 537 H LEU 71 HN LEU 71 1.045 -5.418 6.538 538 HA LEU 71 HA LEU 71 2.028 -5.852 3.915 539 HB2 LEU 71 HB2 LEU 71 2.810 -3.588 5.803 540 HB3 LEU 71 HB3 LEU 71 3.166 -3.614 4.085 541 HG LEU 71 HG LEU 71 0.384 -3.652 5.207 542 HD11 LEU 71 HD11 LEU 71 2.129 -1.323 4.250 543 HD12 LEU 71 HD12 LEU 71 1.538 -1.573 5.904 544 HD13 LEU 71 HD13 LEU 71 0.398 -1.178 4.604 545 HD21 LEU 71 HD21 LEU 71 1.236 -2.818 2.438 546 HD22 LEU 71 HD22 LEU 71 -0.411 -2.906 3.071 547 HD23 LEU 71 HD23 LEU 71 0.513 -4.397 2.842 548 H THR 72 HN THR 72 3.801 -5.537 7.013 549 HA THR 72 HA THR 72 6.365 -5.246 5.865 550 HB THR 72 HB THR 72 5.448 -6.237 8.589 551 HG1 THR 72 HG1 THR 72 4.675 -4.249 8.277 552 HG21 THR 72 HG21 THR 72 8.164 -5.257 7.681 553 HG22 THR 72 HG22 THR 72 7.697 -6.863 8.311 554 HG23 THR 72 HG23 THR 72 7.664 -5.448 9.386 555 H ARG 73 HN ARG 73 4.510 -8.110 6.676 556 HA ARG 73 HA ARG 73 6.462 -10.096 6.463 557 HB2 ARG 73 HB2 ARG 73 3.580 -10.318 5.536 558 HB3 ARG 73 HB3 ARG 73 4.688 -11.621 5.900 559 HG2 ARG 73 HG2 ARG 73 4.850 -10.125 8.252 560 HG3 ARG 73 HG3 ARG 73 3.190 -9.804 7.730 561 HD2 ARG 73 HD2 ARG 73 3.111 -11.670 9.179 562 HD3 ARG 73 HD3 ARG 73 2.859 -12.283 7.538 563 HE ARG 73 HE ARG 73 5.456 -12.368 9.049 564 HH11 ARG 73 HH11 ARG 73 3.121 -14.087 6.870 565 HH12 ARG 73 HH12 ARG 73 4.258 -15.399 6.660 566 HH21 ARG 73 HH21 ARG 73 6.821 -14.232 8.659 567 HH22 ARG 73 HH22 ARG 73 6.195 -15.478 7.611 568 H SER 74 HN SER 74 5.012 -8.250 3.853 569 HA SER 74 HA SER 74 6.196 -9.992 1.758 570 HB2 SER 74 HB2 SER 74 4.183 -7.703 1.729 571 HB3 SER 74 HB3 SER 74 5.008 -8.300 0.250 572 HG SER 74 HG SER 74 3.851 -9.959 0.261 573 H ILE 75 HN ILE 75 7.385 -7.590 3.709 574 HA ILE 75 HA ILE 75 9.103 -6.425 1.590 575 HB ILE 75 HB ILE 75 8.611 -5.400 4.396 576 HG12 ILE 75 HG12 ILE 75 7.375 -4.485 1.739 577 HG13 ILE 75 HG13 ILE 75 6.533 -5.304 3.035 578 HG21 ILE 75 HG21 ILE 75 10.798 -4.783 3.354 579 HG22 ILE 75 HG22 ILE 75 9.930 -4.146 1.949 580 HG23 ILE 75 HG23 ILE 75 9.756 -3.380 3.550 581 HD11 ILE 75 HD11 ILE 75 5.990 -3.003 3.206 582 HD12 ILE 75 HD12 ILE 75 7.039 -3.411 4.577 583 HD13 ILE 75 HD13 ILE 75 7.690 -2.514 3.187 584 HA PRO 76 HA PRO 76 12.061 -9.333 3.716 585 HB2 PRO 76 HB2 PRO 76 13.395 -10.177 1.514 586 HB3 PRO 76 HB3 PRO 76 11.741 -10.775 1.831 587 HG2 PRO 76 HG2 PRO 76 12.436 -8.437 0.075 588 HG3 PRO 76 HG3 PRO 76 11.543 -9.935 -0.366 589 HD2 PRO 76 HD2 PRO 76 10.164 -7.767 0.434 590 HD3 PRO 76 HD3 PRO 76 9.719 -9.375 1.061 591 H ALA 77 HN ALA 77 14.545 -9.173 3.523 592 HA ALA 77 HA ALA 77 15.495 -6.611 4.049 593 HB1 ALA 77 HB1 ALA 77 17.034 -9.092 3.241 594 HB2 ALA 77 HB2 ALA 77 17.741 -7.593 3.878 595 HB3 ALA 77 HB3 ALA 77 16.630 -8.539 4.875 596 HA PRO 78 HA PRO 78 17.217 -6.390 -0.512 597 HB2 PRO 78 HB2 PRO 78 15.785 -7.843 -2.418 598 HB3 PRO 78 HB3 PRO 78 17.330 -8.332 -1.657 599 HG2 PRO 78 HG2 PRO 78 14.518 -9.086 -0.798 600 HG3 PRO 78 HG3 PRO 78 15.923 -10.178 -1.008 601 HD2 PRO 78 HD2 PRO 78 15.387 -9.413 1.402 602 HD3 PRO 78 HD3 PRO 78 17.063 -9.257 0.847 603 H TYR 79 HN TYR 79 13.936 -6.178 0.621 604 HA TYR 79 HA TYR 79 13.323 -4.160 -1.479 605 HB2 TYR 79 HB2 TYR 79 11.464 -6.150 -0.166 606 HB3 TYR 79 HB3 TYR 79 10.956 -4.864 -1.241 607 HD1 TYR 79 HD1 TYR 79 13.362 -5.089 -3.210 608 HD2 TYR 79 HD2 TYR 79 10.618 -8.046 -1.628 609 HE1 TYR 79 HE1 TYR 79 13.729 -6.393 -5.126 610 HE2 TYR 79 HE2 TYR 79 10.998 -9.415 -3.629 611 HH TYR 79 HH TYR 79 12.537 -9.748 -5.495 612 H LYS 80 HN LYS 80 14.448 -4.137 1.380 613 HA LYS 80 HA LYS 80 12.506 -3.141 3.112 614 HB2 LYS 80 HB2 LYS 80 15.521 -2.841 3.007 615 HB3 LYS 80 HB3 LYS 80 14.631 -1.959 4.245 616 HG2 LYS 80 HG2 LYS 80 14.288 -4.939 3.815 617 HG3 LYS 80 HG3 LYS 80 15.479 -4.252 4.942 618 HD2 LYS 80 HD2 LYS 80 13.625 -3.060 6.094 619 HD3 LYS 80 HD3 LYS 80 12.453 -3.857 5.026 620 HE2 LYS 80 HE2 LYS 80 12.939 -6.017 5.868 621 HE3 LYS 80 HE3 LYS 80 14.391 -5.447 6.716 622 HZ1 LYS 80 HZ1 LYS 80 12.578 -5.646 8.263 623 HZ2 LYS 80 HZ2 LYS 80 11.621 -4.607 7.369 624 HZ3 LYS 80 HZ3 LYS 80 12.991 -4.080 8.087 625 H GLN 81 HN GLN 81 14.601 -1.119 1.026 626 HA GLN 81 HA GLN 81 12.928 1.184 1.783 627 HB2 GLN 81 HB2 GLN 81 14.918 2.584 1.707 628 HB3 GLN 81 HB3 GLN 81 14.836 1.402 3.036 629 HG2 GLN 81 HG2 GLN 81 16.283 -0.043 2.098 630 HG3 GLN 81 HG3 GLN 81 16.164 0.634 0.483 631 HE21 GLN 81 HE21 GLN 81 18.561 0.139 2.188 632 HE22 GLN 81 HE22 GLN 81 19.433 1.680 2.164 633 H LEU 82 HN LEU 82 12.114 -0.206 -0.384 634 HA LEU 82 HA LEU 82 13.468 0.483 -2.828 635 HB2 LEU 82 HB2 LEU 82 10.610 -0.356 -2.290 636 HB3 LEU 82 HB3 LEU 82 11.311 -0.150 -3.904 637 HG LEU 82 HG LEU 82 12.224 -2.127 -1.794 638 HD11 LEU 82 HD11 LEU 82 10.854 -2.558 -4.461 639 HD12 LEU 82 HD12 LEU 82 10.113 -2.698 -2.841 640 HD13 LEU 82 HD13 LEU 82 11.371 -3.822 -3.346 641 HD21 LEU 82 HD21 LEU 82 14.226 -1.666 -2.896 642 HD22 LEU 82 HD22 LEU 82 13.427 -1.429 -4.462 643 HD23 LEU 82 HD23 LEU 82 13.605 -3.050 -3.788 644 H LEU 83 HN LEU 83 11.221 2.268 -0.809 645 HA LEU 83 HA LEU 83 10.522 4.415 -2.433 646 HB2 LEU 83 HB2 LEU 83 11.322 4.008 0.452 647 HB3 LEU 83 HB3 LEU 83 11.297 5.628 -0.144 648 HG LEU 83 HG LEU 83 9.195 4.890 0.985 649 HD11 LEU 83 HD11 LEU 83 9.106 6.622 -1.055 650 HD12 LEU 83 HD12 LEU 83 7.606 5.921 -0.447 651 HD13 LEU 83 HD13 LEU 83 8.372 5.276 -1.913 652 HD21 LEU 83 HD21 LEU 83 9.206 2.712 0.429 653 HD22 LEU 83 HD22 LEU 83 8.631 3.102 -1.228 654 HD23 LEU 83 HD23 LEU 83 7.668 3.571 0.228 655 H LYS 84 HN LYS 84 13.818 3.561 -1.319 656 HA LYS 84 HA LYS 84 14.785 6.150 -2.434 657 HB2 LYS 84 HB2 LYS 84 15.245 5.843 -0.067 658 HB3 LYS 84 HB3 LYS 84 16.140 4.345 -0.393 659 HG2 LYS 84 HG2 LYS 84 17.873 5.464 -1.507 660 HG3 LYS 84 HG3 LYS 84 16.837 6.819 -1.939 661 HD2 LYS 84 HD2 LYS 84 16.869 7.378 0.613 662 HD3 LYS 84 HD3 LYS 84 18.287 6.315 0.670 663 HE2 LYS 84 HE2 LYS 84 17.856 8.855 -0.987 664 HE3 LYS 84 HE3 LYS 84 18.949 8.658 0.387 665 HZ1 LYS 84 HZ1 LYS 84 20.246 7.109 -0.962 666 HZ2 LYS 84 HZ2 LYS 84 20.127 8.608 -1.638 667 HZ3 LYS 84 HZ3 LYS 84 19.248 7.375 -2.260 668 H GLU 85 HN GLU 85 15.431 2.682 -2.272 669 HA GLU 85 HA GLU 85 17.512 2.532 -4.194 670 HB2 GLU 85 HB2 GLU 85 15.353 0.453 -3.654 671 HB3 GLU 85 HB3 GLU 85 16.857 0.170 -4.501 672 HG2 GLU 85 HG2 GLU 85 18.152 0.654 -2.449 673 HG3 GLU 85 HG3 GLU 85 16.665 1.010 -1.594 674 H GLU 86 HN GLU 86 14.085 3.142 -4.715 675 HA GLU 86 HA GLU 86 14.584 3.109 -7.640 676 HB2 GLU 86 HB2 GLU 86 11.892 2.721 -6.284 677 HB3 GLU 86 HB3 GLU 86 12.302 2.544 -7.996 678 HG2 GLU 86 HG2 GLU 86 13.970 0.751 -7.266 679 HG3 GLU 86 HG3 GLU 86 13.265 0.818 -5.656 680 H LEU 87 HN LEU 87 12.066 4.603 -5.597 681 HA LEU 87 HA LEU 87 11.881 6.820 -7.304 682 HB2 LEU 87 HB2 LEU 87 11.072 7.011 -4.383 683 HB3 LEU 87 HB3 LEU 87 10.472 7.934 -5.719 684 HG LEU 87 HG LEU 87 9.983 4.982 -5.315 685 HD11 LEU 87 HD11 LEU 87 7.766 5.612 -4.602 686 HD12 LEU 87 HD12 LEU 87 8.054 7.323 -4.999 687 HD13 LEU 87 HD13 LEU 87 8.912 6.573 -3.647 688 HD21 LEU 87 HD21 LEU 87 8.719 6.924 -7.293 689 HD22 LEU 87 HD22 LEU 87 8.304 5.218 -7.080 690 HD23 LEU 87 HD23 LEU 87 9.899 5.649 -7.703 691 H GLY 88 HN GLY 88 13.550 6.697 -4.157 692 HA2 GLY 88 HA2 GLY 88 15.616 7.975 -3.763 693 HA3 GLY 88 HA1 GLY 88 15.017 9.233 -4.846 694 H PHE 89 HN PHE 89 12.683 7.840 -2.684 695 HA PHE 89 HA PHE 89 12.393 10.300 -1.123 696 HB2 PHE 89 HB2 PHE 89 10.439 9.066 -1.941 697 HB3 PHE 89 HB3 PHE 89 11.010 7.599 -1.178 698 HD1 PHE 89 HD2 PHE 89 9.824 11.098 -0.317 699 HD2 PHE 89 HD1 PHE 89 10.297 7.008 0.978 700 HE1 PHE 89 HE2 PHE 89 8.421 11.519 1.691 701 HE2 PHE 89 HE1 PHE 89 8.821 7.327 2.784 702 HZ PHE 89 HZ PHE 89 7.872 9.651 3.249 703 H ALA 90 HN ALA 90 11.989 9.708 1.369 704 HA ALA 90 HA ALA 90 13.639 7.674 2.526 705 HB1 ALA 90 HB1 ALA 90 14.496 10.597 2.870 706 HB2 ALA 90 HB2 ALA 90 15.058 9.254 3.893 707 HB3 ALA 90 HB3 ALA 90 15.469 9.284 2.163 708 H GLY 91 HN GLY 91 12.256 10.915 3.195 709 HA2 GLY 91 HA2 GLY 91 10.007 9.942 4.602 710 HA3 GLY 91 HA1 GLY 91 11.232 10.568 5.727 711 H TYR 92 HN TYR 92 9.112 12.050 5.771 712 HA TYR 92 HA TYR 92 8.985 14.018 3.623 713 HB2 TYR 92 HB2 TYR 92 7.458 13.715 6.229 714 HB3 TYR 92 HB3 TYR 92 7.090 14.884 4.959 715 HD1 TYR 92 HD2 TYR 92 6.413 14.091 2.649 716 HD2 TYR 92 HD1 TYR 92 6.850 11.281 5.920 717 HE1 TYR 92 HE2 TYR 92 5.123 12.399 1.411 718 HE2 TYR 92 HE1 TYR 92 5.523 9.659 4.699 719 HH TYR 92 HH TYR 92 3.786 9.613 2.991 720 H SER 93 HN SER 93 9.075 16.358 4.045 721 HA SER 93 HA SER 93 11.332 17.290 5.547 722 HB2 SER 93 HB2 SER 93 8.951 18.901 4.559 723 HB3 SER 93 HB3 SER 93 10.611 19.432 4.741 724 HG SER 93 HG SER 93 11.201 17.961 3.089 725 H ILE 94 HN ILE 94 11.038 18.960 7.284 726 HA ILE 94 HA ILE 94 9.479 17.979 9.447 727 HB ILE 94 HB ILE 94 11.535 19.161 9.806 728 HG12 ILE 94 HG12 ILE 94 10.659 20.860 11.534 729 HG13 ILE 94 HG13 ILE 94 9.048 20.470 11.022 730 HG21 ILE 94 HG21 ILE 94 11.289 20.832 7.923 731 HG22 ILE 94 HG22 ILE 94 10.174 21.735 8.958 732 HG23 ILE 94 HG23 ILE 94 11.847 21.499 9.468 733 HD11 ILE 94 HD11 ILE 94 11.050 18.391 12.025 734 HD12 ILE 94 HD12 ILE 94 9.791 19.139 13.010 735 HD13 ILE 94 HD13 ILE 94 9.329 18.107 11.653 736 H ASN 95 HN ASN 95 9.055 20.735 7.334 737 HA ASN 95 HA ASN 95 6.573 21.692 8.258 738 HB2 ASN 95 HB2 ASN 95 6.610 22.862 6.007 739 HB3 ASN 95 HB3 ASN 95 8.011 23.145 7.039 740 HD21 ASN 95 HD21 ASN 95 7.230 22.652 3.824 741 HD22 ASN 95 HD22 ASN 95 8.725 21.831 3.384 742 H GLU 96 HN GLU 96 7.213 18.759 6.769 743 HA GLU 96 HA GLU 96 4.530 18.529 5.488 744 HB2 GLU 96 HB2 GLU 96 7.214 17.324 4.687 745 HB3 GLU 96 HB3 GLU 96 5.675 16.825 4.013 746 HG2 GLU 96 HG2 GLU 96 5.933 19.725 3.736 747 HG3 GLU 96 HG3 GLU 96 7.378 18.935 3.139 748 H LEU 97 HN LEU 97 6.275 17.649 8.219 749 HA LEU 97 HA LEU 97 6.046 14.845 7.951 750 HB2 LEU 97 HB2 LEU 97 7.567 16.739 9.479 751 HB3 LEU 97 HB3 LEU 97 6.788 15.777 10.687 752 HG LEU 97 HG LEU 97 8.499 14.803 8.377 753 HD11 LEU 97 HD11 LEU 97 10.123 14.162 10.141 754 HD12 LEU 97 HD12 LEU 97 9.032 14.859 11.369 755 HD13 LEU 97 HD13 LEU 97 9.791 15.899 10.145 756 HD21 LEU 97 HD21 LEU 97 7.010 13.253 10.525 757 HD22 LEU 97 HD22 LEU 97 8.402 12.555 9.690 758 HD23 LEU 97 HD23 LEU 97 6.973 13.030 8.761 759 H VAL 98 HN VAL 98 3.594 15.501 7.675 760 HA VAL 98 HA VAL 98 2.104 15.699 10.161 761 HB VAL 98 HB VAL 98 0.194 15.940 8.609 762 HG11 VAL 98 HG11 VAL 98 1.696 17.821 9.218 763 HG12 VAL 98 HG12 VAL 98 2.525 17.573 7.656 764 HG13 VAL 98 HG13 VAL 98 0.789 18.008 7.702 765 HG21 VAL 98 HG21 VAL 98 0.770 14.477 6.744 766 HG22 VAL 98 HG22 VAL 98 0.614 16.131 6.143 767 HG23 VAL 98 HG23 VAL 98 2.226 15.431 6.418 768 HA PRO 99 HA PRO 99 0.902 11.493 10.558 769 HB2 PRO 99 HB2 PRO 99 -1.779 11.625 11.281 770 HB3 PRO 99 HB3 PRO 99 -0.386 11.876 12.378 771 HG2 PRO 99 HG2 PRO 99 -2.055 13.959 10.958 772 HG3 PRO 99 HG3 PRO 99 -1.476 13.969 12.648 773 HD2 PRO 99 HD2 PRO 99 -0.200 15.376 10.715 774 HD3 PRO 99 HD3 PRO 99 0.723 14.552 11.995 775 H ARG 100 HN ARG 100 -0.950 13.616 8.305 776 HA ARG 100 HA ARG 100 -2.116 11.242 7.030 777 HB2 ARG 100 HB2 ARG 100 -2.171 14.209 6.340 778 HB3 ARG 100 HB3 ARG 100 -2.987 12.979 5.363 779 HG2 ARG 100 HG2 ARG 100 -4.335 12.250 7.190 780 HG3 ARG 100 HG3 ARG 100 -3.484 13.244 8.349 781 HD2 ARG 100 HD2 ARG 100 -5.299 14.534 8.066 782 HD3 ARG 100 HD3 ARG 100 -4.275 15.250 6.807 783 HE ARG 100 HE ARG 100 -5.902 13.065 5.795 784 HH11 ARG 100 HH11 ARG 100 -6.258 16.455 6.835 785 HH12 ARG 100 HH12 ARG 100 -7.789 16.641 6.041 786 HH21 ARG 100 HH21 ARG 100 -7.804 13.303 4.885 787 HH22 ARG 100 HH22 ARG 100 -8.769 14.760 4.942 788 H LYS 101 HN LYS 101 1.029 12.223 6.905 789 HA LYS 101 HA LYS 101 1.304 11.295 4.071 790 HB2 LYS 101 HB2 LYS 101 2.761 13.336 5.726 791 HB3 LYS 101 HB3 LYS 101 3.670 12.426 4.571 792 HG2 LYS 101 HG2 LYS 101 2.338 13.143 2.706 793 HG3 LYS 101 HG3 LYS 101 1.160 13.960 3.776 794 HD2 LYS 101 HD2 LYS 101 2.611 15.729 4.236 795 HD3 LYS 101 HD3 LYS 101 4.028 14.711 4.100 796 HE2 LYS 101 HE2 LYS 101 4.169 16.294 2.398 797 HE3 LYS 101 HE3 LYS 101 3.820 14.740 1.622 798 HZ1 LYS 101 HZ1 LYS 101 1.734 16.775 2.203 799 HZ2 LYS 101 HZ2 LYS 101 1.604 15.458 1.243 800 HZ3 LYS 101 HZ3 LYS 101 2.579 16.707 0.799 801 H THR 102 HN THR 102 2.721 11.042 7.422 802 HA THR 102 HA THR 102 4.726 9.297 6.565 803 HB THR 102 HB THR 102 4.794 8.802 9.154 804 HG1 THR 102 HG1 THR 102 3.972 10.712 10.217 805 HG21 THR 102 HG21 THR 102 6.032 10.928 9.400 806 HG22 THR 102 HG22 THR 102 5.302 11.540 7.899 807 HG23 THR 102 HG23 THR 102 6.420 10.139 7.869 808 H ARG 103 HN ARG 103 1.487 8.322 7.911 809 HA ARG 103 HA ARG 103 2.237 5.546 7.948 810 HB2 ARG 103 HB2 ARG 103 -0.464 6.920 7.710 811 HB3 ARG 103 HB3 ARG 103 -0.300 5.179 7.785 812 HG2 ARG 103 HG2 ARG 103 0.095 5.131 10.005 813 HG3 ARG 103 HG3 ARG 103 1.104 6.578 10.000 814 HD2 ARG 103 HD2 ARG 103 -0.911 8.029 9.865 815 HD3 ARG 103 HD3 ARG 103 -1.909 6.620 9.613 816 HE ARG 103 HE ARG 103 -2.159 6.370 11.769 817 HH11 ARG 103 HH11 ARG 103 0.756 8.346 11.377 818 HH12 ARG 103 HH12 ARG 103 1.026 8.536 13.083 819 HH21 ARG 103 HH21 ARG 103 -1.658 6.420 13.992 820 HH22 ARG 103 HH22 ARG 103 -0.288 7.319 14.606 821 H ARG 104 HN ARG 104 1.041 7.658 5.317 822 HA ARG 104 HA ARG 104 0.503 5.420 3.653 823 HB2 ARG 104 HB2 ARG 104 -0.045 8.116 3.394 824 HB3 ARG 104 HB3 ARG 104 1.128 7.823 2.121 825 HG2 ARG 104 HG2 ARG 104 -1.568 6.433 2.551 826 HG3 ARG 104 HG3 ARG 104 -1.067 7.426 1.213 827 HD2 ARG 104 HD2 ARG 104 0.802 5.554 0.951 828 HD3 ARG 104 HD3 ARG 104 -0.250 4.614 1.978 829 HE ARG 104 HE ARG 104 -1.962 5.167 0.011 830 HH11 ARG 104 HH11 ARG 104 1.492 4.215 -0.228 831 HH12 ARG 104 HH12 ARG 104 1.207 3.197 -1.593 832 HH21 ARG 104 HH21 ARG 104 -2.213 3.933 -1.879 833 HH22 ARG 104 HH22 ARG 104 -0.856 3.271 -2.726 834 H ALA 105 HN ALA 105 3.515 7.193 4.250 835 HA ALA 105 HA ALA 105 5.046 6.175 2.093 836 HB1 ALA 105 HB1 ALA 105 6.004 7.866 3.540 837 HB2 ALA 105 HB2 ALA 105 5.903 6.798 4.957 838 HB3 ALA 105 HB3 ALA 105 6.998 6.403 3.636 839 H THR 106 HN THR 106 4.303 4.643 5.293 840 HA THR 106 HA THR 106 5.710 2.301 4.983 841 HB THR 106 HB THR 106 2.931 2.478 6.207 842 HG1 THR 106 HG1 THR 106 5.380 3.504 7.229 843 HG21 THR 106 HG21 THR 106 3.947 1.057 7.961 844 HG22 THR 106 HG22 THR 106 5.447 0.975 7.020 845 HG23 THR 106 HG23 THR 106 3.945 0.275 6.363 846 H MET 107 HN MET 107 2.426 3.069 3.626 847 HA MET 107 HA MET 107 2.065 0.359 2.611 848 HB2 MET 107 HB2 MET 107 0.574 2.789 1.719 849 HB3 MET 107 HB3 MET 107 0.163 1.087 1.556 850 HG2 MET 107 HG2 MET 107 0.252 1.021 4.147 851 HG3 MET 107 HG3 MET 107 0.113 2.776 4.066 852 HE1 MET 107 HE1 MET 107 -1.877 4.035 3.318 853 HE2 MET 107 HE2 MET 107 -2.157 3.310 1.699 854 HE3 MET 107 HE3 MET 107 -3.472 3.398 2.890 855 H THR 108 HN THR 108 3.413 3.455 1.364 856 HA THR 108 HA THR 108 3.423 2.691 -1.380 857 HB THR 108 HB THR 108 5.336 4.576 0.055 858 HG1 THR 108 HG1 THR 108 3.736 6.117 -0.665 859 HG21 THR 108 HG21 THR 108 4.284 4.633 -2.810 860 HG22 THR 108 HG22 THR 108 5.889 4.010 -2.356 861 HG23 THR 108 HG23 THR 108 5.500 5.709 -2.102 862 H ASN 109 HN ASN 109 5.858 2.082 1.252 863 HA ASN 109 HA ASN 109 7.825 1.143 -0.457 864 HB2 ASN 109 HB2 ASN 109 8.078 1.399 2.013 865 HB3 ASN 109 HB3 ASN 109 7.360 -0.197 2.207 866 HD21 ASN 109 HD21 ASN 109 8.574 -2.118 1.331 867 HD22 ASN 109 HD22 ASN 109 10.256 -1.939 0.914 868 H TRP 110 HN TRP 110 5.051 -0.581 0.950 869 HA TRP 110 HA TRP 110 5.603 -3.264 0.165 870 HB2 TRP 110 HB2 TRP 110 4.016 -2.658 1.924 871 HB3 TRP 110 HB3 TRP 110 3.013 -1.796 0.775 872 HD1 TRP 110 HD1 TRP 110 3.531 -5.173 2.235 873 HE1 TRP 110 HE1 TRP 110 1.854 -6.858 1.275 874 HE3 TRP 110 HE3 TRP 110 1.557 -2.263 -1.456 875 HZ2 TRP 110 HZ2 TRP 110 -0.071 -6.927 -0.924 876 HZ3 TRP 110 HZ3 TRP 110 -0.197 -3.156 -2.974 877 HH2 TRP 110 HH2 TRP 110 -0.989 -5.439 -2.777 878 H LEU 111 HN LEU 111 4.105 -0.525 -1.621 879 HA LEU 111 HA LEU 111 2.947 -2.195 -3.677 880 HB2 LEU 111 HB2 LEU 111 3.717 0.744 -3.566 881 HB3 LEU 111 HB3 LEU 111 2.985 0.024 -4.976 882 HG LEU 111 HG LEU 111 1.667 -0.091 -2.247 883 HD11 LEU 111 HD11 LEU 111 2.008 2.275 -2.967 884 HD12 LEU 111 HD12 LEU 111 0.286 1.773 -2.895 885 HD13 LEU 111 HD13 LEU 111 1.128 1.927 -4.453 886 HD21 LEU 111 HD21 LEU 111 0.315 -0.218 -4.970 887 HD22 LEU 111 HD22 LEU 111 -0.350 -0.658 -3.393 888 HD23 LEU 111 HD23 LEU 111 0.891 -1.671 -4.161 889 H LEU 112 HN LEU 112 6.141 -0.643 -3.259 890 HA LEU 112 HA LEU 112 7.081 -1.428 -5.898 891 HB2 LEU 112 HB2 LEU 112 8.673 -0.810 -3.397 892 HB3 LEU 112 HB3 LEU 112 9.322 -1.018 -5.024 893 HG LEU 112 HG LEU 112 7.211 0.921 -5.157 894 HD11 LEU 112 HD11 LEU 112 9.320 1.564 -3.076 895 HD12 LEU 112 HD12 LEU 112 7.596 1.263 -2.772 896 HD13 LEU 112 HD13 LEU 112 8.101 2.690 -3.701 897 HD21 LEU 112 HD21 LEU 112 9.105 0.776 -6.742 898 HD22 LEU 112 HD22 LEU 112 10.211 1.298 -5.456 899 HD23 LEU 112 HD23 LEU 112 8.955 2.397 -6.064 900 H ALA 113 HN ALA 113 7.498 -2.796 -2.583 901 HA ALA 113 HA ALA 113 9.004 -5.059 -3.356 902 HB1 ALA 113 HB1 ALA 113 8.347 -5.998 -1.188 903 HB2 ALA 113 HB2 ALA 113 8.724 -4.266 -1.018 904 HB3 ALA 113 HB3 ALA 113 7.037 -4.816 -1.045 905 H TYR 114 HN TYR 114 5.564 -4.496 -3.668 906 HA TYR 114 HA TYR 114 4.842 -7.208 -4.332 907 HB2 TYR 114 HB2 TYR 114 3.224 -5.544 -3.510 908 HB3 TYR 114 HB3 TYR 114 3.508 -4.534 -4.905 909 HD1 TYR 114 HD1 TYR 114 2.758 -8.191 -4.328 910 HD2 TYR 114 HD2 TYR 114 1.842 -4.596 -6.531 911 HE1 TYR 114 HE1 TYR 114 0.786 -9.303 -5.271 912 HE2 TYR 114 HE2 TYR 114 -0.210 -5.697 -7.436 913 HH TYR 114 HH TYR 114 -1.196 -9.002 -6.436 914 H ARG 115 HN ARG 115 5.313 -4.207 -6.404 915 HA ARG 115 HA ARG 115 4.961 -5.757 -8.749 916 HB2 ARG 115 HB2 ARG 115 5.870 -3.956 -10.075 917 HB3 ARG 115 HB3 ARG 115 4.641 -3.414 -8.957 918 HG2 ARG 115 HG2 ARG 115 6.024 -1.995 -7.878 919 HG3 ARG 115 HG3 ARG 115 7.406 -3.087 -7.910 920 HD2 ARG 115 HD2 ARG 115 6.549 -1.747 -10.490 921 HD3 ARG 115 HD3 ARG 115 7.440 -0.838 -9.279 922 HE ARG 115 HE ARG 115 9.282 -2.242 -9.420 923 HH11 ARG 115 HH11 ARG 115 7.201 -2.398 -12.322 924 HH12 ARG 115 HH12 ARG 115 8.282 -3.488 -13.130 925 HH21 ARG 115 HH21 ARG 115 10.787 -3.541 -10.721 926 HH22 ARG 115 HH22 ARG 115 10.287 -4.019 -12.290 927 H ARG 116 HN ARG 116 7.825 -5.323 -6.771 928 HA ARG 116 HA ARG 116 9.790 -6.303 -8.611 929 HB2 ARG 116 HB2 ARG 116 9.580 -6.499 -5.580 930 HB3 ARG 116 HB3 ARG 116 10.959 -7.038 -6.533 931 HG2 ARG 116 HG2 ARG 116 9.961 -4.169 -6.433 932 HG3 ARG 116 HG3 ARG 116 11.331 -4.834 -5.557 933 HD2 ARG 116 HD2 ARG 116 12.321 -5.472 -7.806 934 HD3 ARG 116 HD3 ARG 116 11.008 -4.538 -8.567 935 HE ARG 116 HE ARG 116 11.869 -2.636 -6.987 936 HH11 ARG 116 HH11 ARG 116 13.811 -4.561 -9.161 937 HH12 ARG 116 HH12 ARG 116 15.351 -4.006 -8.567 938 HH21 ARG 116 HH21 ARG 116 13.640 -1.649 -6.441 939 HH22 ARG 116 HH22 ARG 116 15.230 -1.947 -7.100 940 H SER 117 HN SER 117 8.063 -8.099 -6.034 941 HA SER 117 HA SER 117 8.935 -10.636 -6.879 942 HB2 SER 117 HB2 SER 117 6.410 -9.792 -5.409 943 HB3 SER 117 HB3 SER 117 7.038 -11.455 -5.509 944 HG SER 117 HG SER 117 8.823 -10.878 -4.366 945 H GLN 118 HN GLN 118 6.385 -8.642 -8.295 946 HA GLN 118 HA GLN 118 5.052 -10.834 -9.607 947 HB2 GLN 118 HB2 GLN 118 5.084 -7.856 -10.237 948 HB3 GLN 118 HB3 GLN 118 4.080 -9.051 -11.051 949 HG2 GLN 118 HG2 GLN 118 3.601 -9.544 -8.310 950 HG3 GLN 118 HG3 GLN 118 3.674 -7.787 -8.433 951 HE21 GLN 118 HE21 GLN 118 2.402 -6.893 -10.457 952 HE22 GLN 118 HE22 GLN 118 0.853 -7.645 -10.775 953 H GLN 119 HN GLN 119 8.280 -9.772 -10.207 954 HA GLN 119 HA GLN 119 8.074 -10.926 -12.891 955 HB2 GLN 119 HB2 GLN 119 9.881 -9.644 -13.560 956 HB3 GLN 119 HB3 GLN 119 8.814 -8.519 -12.761 957 HG2 GLN 119 HG2 GLN 119 10.627 -9.427 -10.738 958 HG3 GLN 119 HG3 GLN 119 11.604 -9.317 -12.183 959 HE21 GLN 119 HE21 GLN 119 8.944 -7.316 -10.711 960 HE22 GLN 119 HE22 GLN 119 9.793 -5.813 -10.823 961 H ASP 120 HN ASP 120 8.400 -12.059 -10.087 962 HA ASP 120 HA ASP 120 10.851 -13.696 -10.331 963 HB2 ASP 120 HB2 ASP 120 9.798 -13.110 -8.081 964 HB3 ASP 120 HB3 ASP 120 8.416 -14.106 -8.538 Start of MODEL 13 1 H1 MET 1 HN MET 1 -5.600 -11.880 -8.822 2 HA MET 1 HA MET 1 -6.388 -9.811 -9.726 3 HB2 MET 1 HB2 MET 1 -7.021 -9.000 -7.349 4 HB3 MET 1 HB3 MET 1 -5.348 -8.527 -7.160 5 HG2 MET 1 HG2 MET 1 -6.295 -6.579 -7.800 6 HG3 MET 1 HG3 MET 1 -5.768 -7.154 -9.368 7 HE1 MET 1 HE1 MET 1 -8.084 -4.919 -8.090 8 HE2 MET 1 HE2 MET 1 -7.570 -4.841 -9.786 9 HE3 MET 1 HE3 MET 1 -9.292 -4.977 -9.385 10 H GLY 2 HN GLY 2 -4.811 -9.041 -11.277 11 HA2 GLY 2 HA2 GLY 2 -2.005 -9.111 -10.316 12 HA3 GLY 2 HA1 GLY 2 -2.394 -9.774 -11.838 13 H ILE 3 HN ILE 3 -2.660 -6.774 -9.965 14 HA ILE 3 HA ILE 3 -2.910 -5.051 -12.303 15 HB ILE 3 HB ILE 3 -2.242 -4.241 -9.439 16 HG12 ILE 3 HG12 ILE 3 -4.926 -4.884 -10.709 17 HG13 ILE 3 HG13 ILE 3 -4.171 -5.691 -9.322 18 HG21 ILE 3 HG21 ILE 3 -3.398 -2.120 -10.019 19 HG22 ILE 3 HG22 ILE 3 -2.063 -2.405 -11.087 20 HG23 ILE 3 HG23 ILE 3 -3.715 -2.734 -11.652 21 HD11 ILE 3 HD11 ILE 3 -5.797 -4.342 -8.347 22 HD12 ILE 3 HD12 ILE 3 -4.304 -3.414 -8.130 23 HD13 ILE 3 HD13 ILE 3 -5.466 -2.963 -9.402 24 H THR 4 HN THR 4 -1.257 -3.394 -12.847 25 HA THR 4 HA THR 4 1.535 -4.126 -12.101 26 HB THR 4 HB THR 4 0.460 -2.860 -14.653 27 HG1 THR 4 HG1 THR 4 1.847 -4.867 -15.287 28 HG21 THR 4 HG21 THR 4 3.354 -3.354 -13.800 29 HG22 THR 4 HG22 THR 4 2.591 -1.762 -14.005 30 HG23 THR 4 HG23 THR 4 2.812 -2.806 -15.409 31 H ILE 5 HN ILE 5 2.844 -2.415 -11.404 32 HA ILE 5 HA ILE 5 1.483 0.166 -10.909 33 HB ILE 5 HB ILE 5 3.764 -0.902 -9.248 34 HG12 ILE 5 HG12 ILE 5 2.094 -2.642 -8.976 35 HG13 ILE 5 HG13 ILE 5 2.277 -1.670 -7.537 36 HG21 ILE 5 HG21 ILE 5 1.626 1.223 -8.839 37 HG22 ILE 5 HG22 ILE 5 2.680 0.647 -7.550 38 HG23 ILE 5 HG23 ILE 5 3.393 1.430 -8.945 39 HD11 ILE 5 HD11 ILE 5 -0.023 -1.355 -9.438 40 HD12 ILE 5 HD12 ILE 5 -0.009 -2.267 -7.902 41 HD13 ILE 5 HD13 ILE 5 0.228 -0.502 -7.897 42 H THR 6 HN THR 6 2.770 1.925 -11.145 43 HA THR 6 HA THR 6 5.453 1.718 -12.417 44 HB THR 6 HB THR 6 4.602 4.007 -13.434 45 HG1 THR 6 HG1 THR 6 2.137 2.637 -12.975 46 HG21 THR 6 HG21 THR 6 3.846 2.790 -15.396 47 HG22 THR 6 HG22 THR 6 3.520 1.329 -14.413 48 HG23 THR 6 HG23 THR 6 5.186 1.920 -14.666 49 H ASP 7 HN ASP 7 7.012 3.206 -11.818 50 HA ASP 7 HA ASP 7 7.033 4.220 -9.174 51 HB2 ASP 7 HB2 ASP 7 8.807 4.964 -11.503 52 HB3 ASP 7 HB3 ASP 7 9.143 5.293 -9.819 53 H GLU 8 HN GLU 8 6.202 5.732 -12.250 54 HA GLU 8 HA GLU 8 6.242 8.496 -11.363 55 HB2 GLU 8 HB2 GLU 8 4.888 6.977 -13.629 56 HB3 GLU 8 HB3 GLU 8 4.762 8.730 -13.466 57 HG2 GLU 8 HG2 GLU 8 7.514 7.457 -13.490 58 HG3 GLU 8 HG3 GLU 8 6.618 7.586 -14.998 59 H LEU 9 HN LEU 9 3.676 5.938 -11.493 60 HA LEU 9 HA LEU 9 1.528 7.524 -10.420 61 HB2 LEU 9 HB2 LEU 9 1.034 5.586 -11.681 62 HB3 LEU 9 HB3 LEU 9 2.232 4.631 -10.820 63 HG LEU 9 HG LEU 9 0.970 4.808 -8.778 64 HD11 LEU 9 HD11 LEU 9 -0.393 6.786 -9.043 65 HD12 LEU 9 HD12 LEU 9 -1.487 5.415 -8.923 66 HD13 LEU 9 HD13 LEU 9 -1.154 6.129 -10.510 67 HD21 LEU 9 HD21 LEU 9 -0.583 3.631 -11.109 68 HD22 LEU 9 HD22 LEU 9 -0.685 3.105 -9.410 69 HD23 LEU 9 HD23 LEU 9 0.821 2.880 -10.332 70 H LEU 10 HN LEU 10 4.123 5.473 -9.006 71 HA LEU 10 HA LEU 10 3.075 5.600 -6.389 72 HB2 LEU 10 HB2 LEU 10 5.889 5.139 -7.409 73 HB3 LEU 10 HB3 LEU 10 5.504 5.047 -5.697 74 HG LEU 10 HG LEU 10 3.794 3.486 -7.663 75 HD11 LEU 10 HD11 LEU 10 5.309 1.517 -7.207 76 HD12 LEU 10 HD12 LEU 10 6.550 2.711 -6.685 77 HD13 LEU 10 HD13 LEU 10 5.924 2.693 -8.338 78 HD21 LEU 10 HD21 LEU 10 4.662 2.848 -4.824 79 HD22 LEU 10 HD22 LEU 10 3.449 2.038 -5.835 80 HD23 LEU 10 HD23 LEU 10 3.139 3.665 -5.265 81 H TRP 11 HN TRP 11 5.019 7.937 -8.104 82 HA TRP 11 HA TRP 11 5.673 9.607 -5.881 83 HB2 TRP 11 HB2 TRP 11 5.579 9.983 -8.855 84 HB3 TRP 11 HB3 TRP 11 5.671 11.401 -7.851 85 HD1 TRP 11 HD1 TRP 11 7.848 8.825 -9.371 86 HE1 TRP 11 HE1 TRP 11 10.181 8.870 -8.449 87 HE3 TRP 11 HE3 TRP 11 7.027 11.908 -5.367 88 HZ2 TRP 11 HZ2 TRP 11 11.575 10.059 -6.163 89 HZ3 TRP 11 HZ3 TRP 11 8.874 12.429 -3.779 90 HH2 TRP 11 HH2 TRP 11 11.133 11.455 -4.138 91 H ALA 12 HN ALA 12 2.556 9.221 -7.567 92 HA ALA 12 HA ALA 12 1.434 11.720 -6.745 93 HB1 ALA 12 HB1 ALA 12 -0.764 10.348 -6.869 94 HB2 ALA 12 HB2 ALA 12 0.181 10.535 -8.348 95 HB3 ALA 12 HB3 ALA 12 0.216 9.012 -7.426 96 H ILE 13 HN ILE 13 1.928 8.659 -5.048 97 HA ILE 13 HA ILE 13 0.047 9.119 -2.957 98 HB ILE 13 HB ILE 13 2.421 7.281 -3.021 99 HG12 ILE 13 HG12 ILE 13 -0.481 6.448 -3.429 100 HG13 ILE 13 HG13 ILE 13 0.382 7.140 -4.804 101 HG21 ILE 13 HG21 ILE 13 -0.053 7.426 -1.239 102 HG22 ILE 13 HG22 ILE 13 1.039 6.029 -1.301 103 HG23 ILE 13 HG23 ILE 13 1.646 7.593 -0.735 104 HD11 ILE 13 HD11 ILE 13 0.655 4.861 -5.003 105 HD12 ILE 13 HD12 ILE 13 2.197 5.581 -4.498 106 HD13 ILE 13 HD13 ILE 13 1.209 4.701 -3.298 107 H LEU 14 HN LEU 14 3.634 9.569 -3.320 108 HA LEU 14 HA LEU 14 4.262 10.742 -0.910 109 HB2 LEU 14 HB2 LEU 14 5.396 10.764 -3.709 110 HB3 LEU 14 HB3 LEU 14 6.175 11.612 -2.384 111 HG LEU 14 HG LEU 14 6.915 9.804 -1.411 112 HD11 LEU 14 HD11 LEU 14 4.710 7.945 -2.272 113 HD12 LEU 14 HD12 LEU 14 4.802 8.740 -0.685 114 HD13 LEU 14 HD13 LEU 14 6.038 7.583 -1.157 115 HD21 LEU 14 HD21 LEU 14 7.654 8.056 -2.936 116 HD22 LEU 14 HD22 LEU 14 7.723 9.612 -3.736 117 HD23 LEU 14 HD23 LEU 14 6.398 8.483 -4.091 118 H LYS 15 HN LYS 15 3.729 12.495 -4.022 119 HA LYS 15 HA LYS 15 4.462 14.950 -2.915 120 HB2 LYS 15 HB2 LYS 15 2.782 14.347 -5.380 121 HB3 LYS 15 HB3 LYS 15 3.500 15.916 -5.023 122 HG2 LYS 15 HG2 LYS 15 5.106 13.345 -5.419 123 HG3 LYS 15 HG3 LYS 15 4.735 14.492 -6.678 124 HD2 LYS 15 HD2 LYS 15 5.922 16.223 -5.032 125 HD3 LYS 15 HD3 LYS 15 6.564 14.745 -4.301 126 HE2 LYS 15 HE2 LYS 15 8.207 15.344 -5.904 127 HE3 LYS 15 HE3 LYS 15 7.286 14.063 -6.704 128 HZ1 LYS 15 HZ1 LYS 15 7.149 16.964 -7.147 129 HZ2 LYS 15 HZ2 LYS 15 5.986 15.953 -7.756 130 HZ3 LYS 15 HZ3 LYS 15 7.550 15.825 -8.244 131 H ASP 16 HN ASP 16 1.185 14.741 -4.260 132 HA ASP 16 HA ASP 16 -0.475 14.728 -2.134 133 HB2 ASP 16 HB2 ASP 16 0.681 17.484 -2.456 134 HB3 ASP 16 HB3 ASP 16 -1.066 17.401 -2.478 135 H GLU 17 HN GLU 17 -0.870 13.334 -4.245 136 HA GLU 17 HA GLU 17 -2.620 14.877 -6.046 137 HB2 GLU 17 HB2 GLU 17 -0.748 14.217 -7.319 138 HB3 GLU 17 HB3 GLU 17 -0.523 12.746 -6.413 139 HG2 GLU 17 HG2 GLU 17 -1.351 12.249 -8.623 140 HG3 GLU 17 HG3 GLU 17 -2.427 11.719 -7.324 141 H LEU 18 HN LEU 18 -1.904 11.537 -4.871 142 HA LEU 18 HA LEU 18 -4.700 10.796 -4.886 143 HB2 LEU 18 HB2 LEU 18 -2.215 9.525 -3.801 144 HB3 LEU 18 HB3 LEU 18 -3.780 8.890 -3.350 145 HG LEU 18 HG LEU 18 -3.392 9.329 -6.237 146 HD11 LEU 18 HD11 LEU 18 -2.266 7.030 -4.701 147 HD12 LEU 18 HD12 LEU 18 -1.339 8.307 -5.562 148 HD13 LEU 18 HD13 LEU 18 -2.332 7.168 -6.487 149 HD21 LEU 18 HD21 LEU 18 -5.562 8.413 -5.176 150 HD22 LEU 18 HD22 LEU 18 -4.650 6.874 -5.005 151 HD23 LEU 18 HD23 LEU 18 -4.883 7.599 -6.579 152 H SER 19 HN SER 19 -5.695 9.971 -2.904 153 HA SER 19 HA SER 19 -5.549 12.143 -0.830 154 HB2 SER 19 HB2 SER 19 -7.329 12.355 -2.580 155 HB3 SER 19 HB3 SER 19 -8.079 10.888 -1.930 156 HG SER 19 HG SER 19 -8.959 12.854 -1.231 157 H ASP 20 HN ASP 20 -7.604 11.274 0.858 158 HA ASP 20 HA ASP 20 -6.251 9.212 2.393 159 HB2 ASP 20 HB2 ASP 20 -8.308 9.247 3.853 160 HB3 ASP 20 HB3 ASP 20 -7.342 10.708 3.777 161 H ALA 21 HN ALA 21 -9.672 9.087 1.232 162 HA ALA 21 HA ALA 21 -9.809 6.312 1.114 163 HB1 ALA 21 HB1 ALA 21 -11.757 7.834 0.985 164 HB2 ALA 21 HB2 ALA 21 -11.241 8.370 -0.631 165 HB3 ALA 21 HB3 ALA 21 -11.757 6.702 -0.377 166 H GLU 22 HN GLU 22 -8.504 8.547 -1.294 167 HA GLU 22 HA GLU 22 -8.629 6.535 -3.385 168 HB2 GLU 22 HB2 GLU 22 -7.448 9.315 -3.542 169 HB3 GLU 22 HB3 GLU 22 -7.883 8.243 -4.876 170 HG2 GLU 22 HG2 GLU 22 -10.263 8.339 -3.400 171 HG3 GLU 22 HG3 GLU 22 -9.622 9.954 -3.177 172 H ALA 23 HN ALA 23 -5.861 8.005 -1.494 173 HA ALA 23 HA ALA 23 -3.907 6.546 -3.021 174 HB1 ALA 23 HB1 ALA 23 -2.359 6.945 -1.219 175 HB2 ALA 23 HB2 ALA 23 -3.321 8.433 -1.373 176 HB3 ALA 23 HB3 ALA 23 -3.665 7.292 -0.089 177 H ASN 24 HN ASN 24 -6.025 5.835 -0.237 178 HA ASN 24 HA ASN 24 -4.864 3.366 0.689 179 HB2 ASN 24 HB2 ASN 24 -7.681 4.532 0.844 180 HB3 ASN 24 HB3 ASN 24 -7.293 2.924 1.416 181 HD21 ASN 24 HD21 ASN 24 -8.268 3.884 3.379 182 HD22 ASN 24 HD22 ASN 24 -7.332 4.791 4.491 183 H ALA 25 HN ALA 25 -7.315 4.178 -1.807 184 HA ALA 25 HA ALA 25 -8.271 1.640 -2.277 185 HB1 ALA 25 HB1 ALA 25 -9.258 3.719 -3.174 186 HB2 ALA 25 HB2 ALA 25 -7.929 3.828 -4.357 187 HB3 ALA 25 HB3 ALA 25 -9.049 2.462 -4.406 188 H LEU 26 HN LEU 26 -5.333 3.140 -3.848 189 HA LEU 26 HA LEU 26 -4.870 1.086 -5.729 190 HB2 LEU 26 HB2 LEU 26 -3.002 2.841 -4.061 191 HB3 LEU 26 HB3 LEU 26 -2.405 1.678 -5.234 192 HG LEU 26 HG LEU 26 -4.162 4.041 -5.950 193 HD11 LEU 26 HD11 LEU 26 -1.890 4.636 -5.136 194 HD12 LEU 26 HD12 LEU 26 -2.085 4.951 -6.861 195 HD13 LEU 26 HD13 LEU 26 -1.170 3.526 -6.330 196 HD21 LEU 26 HD21 LEU 26 -4.473 2.257 -7.595 197 HD22 LEU 26 HD22 LEU 26 -2.737 1.864 -7.596 198 HD23 LEU 26 HD23 LEU 26 -3.314 3.384 -8.292 199 H VAL 27 HN VAL 27 -4.084 1.152 -2.222 200 HA VAL 27 HA VAL 27 -2.524 -1.289 -2.316 201 HB VAL 27 HB VAL 27 -4.032 -0.163 0.080 202 HG11 VAL 27 HG11 VAL 27 -1.515 -1.870 -0.234 203 HG12 VAL 27 HG12 VAL 27 -2.085 -1.224 1.303 204 HG13 VAL 27 HG13 VAL 27 -3.077 -2.396 0.421 205 HG21 VAL 27 HG21 VAL 27 -2.654 1.694 -0.821 206 HG22 VAL 27 HG22 VAL 27 -2.050 1.081 0.712 207 HG23 VAL 27 HG23 VAL 27 -1.229 0.622 -0.793 208 H TRP 28 HN TRP 28 -5.922 -0.427 -1.548 209 HA TRP 28 HA TRP 28 -6.795 -3.007 -0.833 210 HB2 TRP 28 HB2 TRP 28 -8.366 -0.695 -2.034 211 HB3 TRP 28 HB3 TRP 28 -9.045 -2.061 -1.195 212 HD1 TRP 28 HD1 TRP 28 -6.360 -1.443 1.036 213 HE1 TRP 28 HE1 TRP 28 -7.058 0.055 3.005 214 HE3 TRP 28 HE3 TRP 28 -10.674 0.513 -0.909 215 HZ2 TRP 28 HZ2 TRP 28 -9.237 1.744 3.695 216 HZ3 TRP 28 HZ3 TRP 28 -12.085 2.018 0.470 217 HH2 TRP 28 HH2 TRP 28 -11.386 2.644 2.765 218 H GLN 29 HN GLN 29 -6.781 -1.425 -4.059 219 HA GLN 29 HA GLN 29 -8.029 -3.643 -5.400 220 HB2 GLN 29 HB2 GLN 29 -7.214 -2.598 -7.487 221 HB3 GLN 29 HB3 GLN 29 -8.066 -1.504 -6.432 222 HG2 GLN 29 HG2 GLN 29 -5.916 -0.579 -5.822 223 HG3 GLN 29 HG3 GLN 29 -5.062 -1.649 -6.900 224 HE21 GLN 29 HE21 GLN 29 -7.751 0.674 -6.916 225 HE22 GLN 29 HE22 GLN 29 -7.101 1.644 -8.229 226 H ALA 30 HN ALA 30 -4.560 -2.718 -4.954 227 HA ALA 30 HA ALA 30 -3.537 -4.810 -6.562 228 HB1 ALA 30 HB1 ALA 30 -2.189 -2.877 -5.870 229 HB2 ALA 30 HB2 ALA 30 -2.272 -3.404 -4.177 230 HB3 ALA 30 HB3 ALA 30 -1.402 -4.392 -5.379 231 H LEU 31 HN LEU 31 -4.322 -4.767 -3.081 232 HA LEU 31 HA LEU 31 -3.401 -7.329 -2.386 233 HB2 LEU 31 HB2 LEU 31 -5.721 -5.641 -1.435 234 HB3 LEU 31 HB3 LEU 31 -5.441 -7.245 -0.758 235 HG LEU 31 HG LEU 31 -3.338 -5.048 -0.741 236 HD11 LEU 31 HD11 LEU 31 -5.608 -4.757 0.639 237 HD12 LEU 31 HD12 LEU 31 -4.054 -4.386 1.353 238 HD13 LEU 31 HD13 LEU 31 -4.817 -5.926 1.729 239 HD21 LEU 31 HD21 LEU 31 -2.322 -6.558 1.023 240 HD22 LEU 31 HD22 LEU 31 -2.354 -7.297 -0.565 241 HD23 LEU 31 HD23 LEU 31 -3.553 -7.767 0.643 242 H GLY 32 HN GLY 32 -6.524 -6.405 -3.839 243 HA2 GLY 32 HA2 GLY 32 -7.538 -7.795 -5.483 244 HA3 GLY 32 HA1 GLY 32 -6.895 -9.225 -4.693 245 H TYR 33 HN TYR 33 -8.344 -6.943 -2.487 246 HA TYR 33 HA TYR 33 -10.468 -8.749 -1.809 247 HB2 TYR 33 HB2 TYR 33 -9.988 -5.851 -1.205 248 HB3 TYR 33 HB3 TYR 33 -11.421 -6.716 -0.641 249 HD1 TYR 33 HD2 TYR 33 -7.746 -6.401 -0.332 250 HD2 TYR 33 HD1 TYR 33 -11.269 -8.450 1.066 251 HE1 TYR 33 HE2 TYR 33 -6.447 -7.361 1.562 252 HE2 TYR 33 HE1 TYR 33 -10.012 -9.309 3.017 253 HH TYR 33 HH TYR 33 -7.889 -8.932 4.273 254 H VAL 34 HN VAL 34 -10.622 -5.669 -3.613 255 HA VAL 34 HA VAL 34 -12.032 -4.675 -4.829 256 HB VAL 34 HB VAL 34 -11.366 -5.900 -6.603 257 HG11 VAL 34 HG11 VAL 34 -13.155 -8.241 -5.925 258 HG12 VAL 34 HG12 VAL 34 -12.260 -8.022 -7.430 259 HG13 VAL 34 HG13 VAL 34 -11.376 -8.229 -5.912 260 HG21 VAL 34 HG21 VAL 34 -14.377 -6.208 -6.646 261 HG22 VAL 34 HG22 VAL 34 -13.494 -4.657 -6.808 262 HG23 VAL 34 HG23 VAL 34 -13.292 -5.937 -8.026 263 H TRP 35 HN TRP 35 -13.798 -3.588 -4.307 264 HA TRP 35 HA TRP 35 -15.859 -4.766 -2.619 265 HB2 TRP 35 HB2 TRP 35 -15.506 -2.412 -2.389 266 HB3 TRP 35 HB3 TRP 35 -15.660 -2.139 -4.118 267 HD1 TRP 35 HD1 TRP 35 -18.048 -2.049 -5.127 268 HE1 TRP 35 HE1 TRP 35 -20.381 -1.790 -4.186 269 HE3 TRP 35 HE3 TRP 35 -17.044 -3.511 -0.365 270 HZ2 TRP 35 HZ2 TRP 35 -21.722 -2.348 -1.617 271 HZ3 TRP 35 HZ3 TRP 35 -18.867 -3.780 1.280 272 HH2 TRP 35 HH2 TRP 35 -21.205 -3.177 0.667 273 H ASP 36 HN ASP 36 -17.134 -6.353 -3.462 274 HA ASP 36 HA ASP 36 -17.938 -6.291 -6.250 275 HB2 ASP 36 HB2 ASP 36 -17.522 -8.328 -4.586 276 HB3 ASP 36 HB3 ASP 36 -19.219 -8.178 -4.270 277 H GLU 37 HN GLU 37 -19.182 -4.544 -6.574 278 HA GLU 37 HA GLU 37 -21.334 -3.641 -4.927 279 HB2 GLU 37 HB2 GLU 37 -20.110 -2.369 -6.623 280 HB3 GLU 37 HB3 GLU 37 -20.709 -3.413 -7.896 281 HG2 GLU 37 HG2 GLU 37 -23.010 -2.646 -7.493 282 HG3 GLU 37 HG3 GLU 37 -22.445 -1.657 -6.137 283 H ALA 38 HN ALA 38 -21.075 -6.315 -7.159 284 HA ALA 38 HA ALA 38 -23.891 -6.658 -7.711 285 HB1 ALA 38 HB1 ALA 38 -22.214 -7.623 -9.199 286 HB2 ALA 38 HB2 ALA 38 -21.588 -8.648 -7.883 287 HB3 ALA 38 HB3 ALA 38 -23.224 -8.895 -8.506 288 H GLN 39 HN GLN 39 -21.647 -7.941 -5.188 289 HA GLN 39 HA GLN 39 -23.973 -9.263 -3.899 290 HB2 GLN 39 HB2 GLN 39 -20.985 -9.696 -3.516 291 HB3 GLN 39 HB3 GLN 39 -22.248 -10.454 -2.545 292 HG2 GLN 39 HG2 GLN 39 -23.271 -11.376 -4.649 293 HG3 GLN 39 HG3 GLN 39 -21.872 -10.721 -5.505 294 HE21 GLN 39 HE21 GLN 39 -20.914 -12.640 -6.232 295 HE22 GLN 39 HE22 GLN 39 -20.395 -13.928 -5.193 296 H SER 40 HN SER 40 -22.513 -6.288 -3.818 297 HA SER 40 HA SER 40 -22.088 -4.699 -2.445 298 HB2 SER 40 HB2 SER 40 -24.557 -5.733 -1.022 299 HB3 SER 40 HB3 SER 40 -23.792 -4.152 -0.753 300 HG SER 40 HG SER 40 -25.609 -4.577 -2.459 301 H CYS 41 HN CYS 41 -20.421 -6.803 -2.060 302 HA CYS 41 HA CYS 41 -19.673 -6.422 0.787 303 HB2 CYS 41 HB2 CYS 41 -19.850 -9.146 -0.598 304 HB3 CYS 41 HB3 CYS 41 -19.098 -8.848 0.959 305 HG CYS 41 HG CYS 41 -22.261 -8.362 0.106 306 H TRP 42 HN TRP 42 -17.425 -6.889 1.094 307 HA TRP 42 HA TRP 42 -15.631 -6.392 -1.150 308 HB2 TRP 42 HB2 TRP 42 -15.123 -7.405 1.682 309 HB3 TRP 42 HB3 TRP 42 -13.880 -6.941 0.526 310 HD1 TRP 42 HD1 TRP 42 -16.285 -5.490 3.052 311 HE1 TRP 42 HE1 TRP 42 -16.264 -2.936 3.030 312 HE3 TRP 42 HE3 TRP 42 -13.327 -4.783 -1.050 313 HZ2 TRP 42 HZ2 TRP 42 -15.073 -0.840 1.421 314 HZ3 TRP 42 HZ3 TRP 42 -12.742 -2.474 -1.803 315 HH2 TRP 42 HH2 TRP 42 -13.625 -0.498 -0.563 316 H LYS 43 HN LYS 43 -14.891 -7.957 -2.599 317 HA LYS 43 HA LYS 43 -15.597 -10.763 -2.286 318 HB2 LYS 43 HB2 LYS 43 -14.205 -9.097 -4.280 319 HB3 LYS 43 HB3 LYS 43 -13.550 -10.732 -4.067 320 HG2 LYS 43 HG2 LYS 43 -16.141 -11.334 -4.252 321 HG3 LYS 43 HG3 LYS 43 -16.225 -9.769 -4.952 322 HD2 LYS 43 HD2 LYS 43 -14.000 -11.038 -6.238 323 HD3 LYS 43 HD3 LYS 43 -15.393 -12.165 -6.277 324 HE2 LYS 43 HE2 LYS 43 -16.797 -10.258 -7.082 325 HE3 LYS 43 HE3 LYS 43 -15.371 -9.244 -7.013 326 HZ1 LYS 43 HZ1 LYS 43 -15.778 -10.037 -9.250 327 HZ2 LYS 43 HZ2 LYS 43 -15.910 -11.586 -8.770 328 HZ3 LYS 43 HZ3 LYS 43 -14.432 -10.870 -8.740 329 H THR 44 HN THR 44 -13.868 -12.390 -1.949 330 HA THR 44 HA THR 44 -11.212 -11.313 -1.193 331 HB THR 44 HB THR 44 -11.038 -13.117 0.528 332 HG1 THR 44 HG1 THR 44 -13.830 -13.320 0.551 333 HG21 THR 44 HG21 THR 44 -12.289 -12.072 2.306 334 HG22 THR 44 HG22 THR 44 -13.273 -11.176 1.142 335 HG23 THR 44 HG23 THR 44 -11.521 -10.868 1.256 336 H ASP 45 HN ASP 45 -12.784 -12.560 -3.637 337 HA ASP 45 HA ASP 45 -11.759 -15.191 -4.034 338 HB2 ASP 45 HB2 ASP 45 -12.887 -13.064 -5.896 339 HB3 ASP 45 HB3 ASP 45 -12.525 -14.715 -6.380 340 H LEU 46 HN LEU 46 -10.708 -11.885 -4.929 341 HA LEU 46 HA LEU 46 -8.641 -13.020 -6.652 342 HB2 LEU 46 HB2 LEU 46 -9.657 -10.176 -6.409 343 HB3 LEU 46 HB3 LEU 46 -8.321 -10.680 -7.421 344 HG LEU 46 HG LEU 46 -11.210 -11.510 -7.748 345 HD11 LEU 46 HD11 LEU 46 -9.345 -9.814 -9.486 346 HD12 LEU 46 HD12 LEU 46 -10.576 -9.157 -8.398 347 HD13 LEU 46 HD13 LEU 46 -11.062 -10.158 -9.785 348 HD21 LEU 46 HD21 LEU 46 -10.376 -12.518 -9.883 349 HD22 LEU 46 HD22 LEU 46 -9.768 -13.355 -8.464 350 HD23 LEU 46 HD23 LEU 46 -8.717 -12.231 -9.371 351 H VAL 47 HN VAL 47 -8.665 -12.662 -3.505 352 HA VAL 47 HA VAL 47 -5.962 -11.485 -3.262 353 HB VAL 47 HB VAL 47 -7.421 -9.947 -2.299 354 HG11 VAL 47 HG11 VAL 47 -9.050 -10.169 -0.673 355 HG12 VAL 47 HG12 VAL 47 -9.418 -10.832 -2.238 356 HG13 VAL 47 HG13 VAL 47 -8.990 -11.947 -0.894 357 HG21 VAL 47 HG21 VAL 47 -6.562 -11.515 0.143 358 HG22 VAL 47 HG22 VAL 47 -5.453 -10.491 -0.804 359 HG23 VAL 47 HG23 VAL 47 -6.843 -9.781 0.021 360 H ALA 48 HN ALA 48 -4.527 -12.390 -1.684 361 HA ALA 48 HA ALA 48 -4.499 -15.236 -1.695 362 HB1 ALA 48 HB1 ALA 48 -2.839 -13.228 -0.093 363 HB2 ALA 48 HB2 ALA 48 -2.405 -14.924 -0.411 364 HB3 ALA 48 HB3 ALA 48 -2.480 -13.763 -1.745 365 HA PRO 49 HA PRO 49 -6.742 -16.264 2.022 366 HB2 PRO 49 HB2 PRO 49 -5.232 -18.313 3.066 367 HB3 PRO 49 HB3 PRO 49 -6.410 -18.449 1.725 368 HG2 PRO 49 HG2 PRO 49 -3.407 -18.145 1.557 369 HG3 PRO 49 HG3 PRO 49 -4.469 -19.246 0.619 370 HD2 PRO 49 HD2 PRO 49 -3.576 -16.921 -0.423 371 HD3 PRO 49 HD3 PRO 49 -5.247 -17.471 -0.746 372 H GLU 50 HN GLU 50 -3.182 -15.894 2.435 373 HA GLU 50 HA GLU 50 -3.186 -15.460 5.191 374 HB2 GLU 50 HB2 GLU 50 -0.934 -14.665 4.859 375 HB3 GLU 50 HB3 GLU 50 -1.271 -16.015 3.778 376 HG2 GLU 50 HG2 GLU 50 -1.694 -14.284 1.917 377 HG3 GLU 50 HG3 GLU 50 -1.158 -13.068 3.052 378 H TRP 51 HN TRP 51 -4.362 -13.270 2.784 379 HA TRP 51 HA TRP 51 -4.175 -10.961 4.659 380 HB2 TRP 51 HB2 TRP 51 -4.537 -11.157 1.686 381 HB3 TRP 51 HB3 TRP 51 -5.181 -9.776 2.566 382 HD1 TRP 51 HD1 TRP 51 -1.916 -11.364 1.578 383 HE1 TRP 51 HE1 TRP 51 -0.012 -9.789 1.964 384 HE3 TRP 51 HE3 TRP 51 -4.503 -7.759 4.102 385 HZ2 TRP 51 HZ2 TRP 51 0.415 -7.191 3.447 386 HZ3 TRP 51 HZ3 TRP 51 -3.354 -5.739 4.942 387 HH2 TRP 51 HH2 TRP 51 -0.909 -5.452 4.624 388 H ARG 52 HN ARG 52 -6.531 -12.609 2.549 389 HA ARG 52 HA ARG 52 -8.775 -11.296 3.770 390 HB2 ARG 52 HB2 ARG 52 -10.148 -12.805 2.539 391 HB3 ARG 52 HB3 ARG 52 -8.875 -12.102 1.546 392 HG2 ARG 52 HG2 ARG 52 -7.729 -14.494 2.417 393 HG3 ARG 52 HG3 ARG 52 -9.434 -14.927 2.286 394 HD2 ARG 52 HD2 ARG 52 -9.323 -13.769 -0.052 395 HD3 ARG 52 HD3 ARG 52 -7.639 -13.673 0.168 396 HE ARG 52 HE ARG 52 -7.572 -15.695 -0.792 397 HH11 ARG 52 HH11 ARG 52 -10.716 -15.482 0.765 398 HH12 ARG 52 HH12 ARG 52 -11.206 -17.091 0.370 399 HH21 ARG 52 HH21 ARG 52 -8.250 -17.846 -1.438 400 HH22 ARG 52 HH22 ARG 52 -9.765 -18.449 -0.870 401 H GLN 53 HN GLN 53 -6.809 -13.620 5.078 402 HA GLN 53 HA GLN 53 -8.052 -15.658 6.109 403 HB2 GLN 53 HB2 GLN 53 -5.640 -14.248 6.560 404 HB3 GLN 53 HB3 GLN 53 -6.346 -14.345 8.166 405 HG2 GLN 53 HG2 GLN 53 -6.476 -16.744 8.029 406 HG3 GLN 53 HG3 GLN 53 -6.052 -16.732 6.311 407 HE21 GLN 53 HE21 GLN 53 -4.203 -18.079 6.524 408 HE22 GLN 53 HE22 GLN 53 -2.730 -17.455 7.260 409 H ASP 54 HN ASP 54 -8.286 -12.404 7.625 410 HA ASP 54 HA ASP 54 -10.589 -13.298 9.203 411 HB2 ASP 54 HB2 ASP 54 -7.870 -13.237 10.229 412 HB3 ASP 54 HB3 ASP 54 -8.763 -11.972 11.021 413 H TYR 55 HN TYR 55 -10.104 -11.463 6.940 414 HA TYR 55 HA TYR 55 -10.230 -8.718 8.063 415 HB2 TYR 55 HB2 TYR 55 -8.936 -9.921 5.639 416 HB3 TYR 55 HB3 TYR 55 -9.528 -8.270 5.563 417 HD1 TYR 55 HD2 TYR 55 -7.774 -10.120 8.376 418 HD2 TYR 55 HD1 TYR 55 -7.710 -6.796 5.600 419 HE1 TYR 55 HE2 TYR 55 -6.006 -9.106 9.661 420 HE2 TYR 55 HE1 TYR 55 -5.872 -5.784 6.883 421 HH TYR 55 HH TYR 55 -5.331 -6.663 10.045 422 HA PRO 56 HA PRO 56 -14.404 -9.322 6.168 423 HB2 PRO 56 HB2 PRO 56 -15.872 -7.989 8.024 424 HB3 PRO 56 HB3 PRO 56 -15.333 -9.685 8.225 425 HG2 PRO 56 HG2 PRO 56 -14.034 -7.178 9.327 426 HG3 PRO 56 HG3 PRO 56 -14.434 -8.691 10.203 427 HD2 PRO 56 HD2 PRO 56 -11.947 -8.194 9.213 428 HD3 PRO 56 HD3 PRO 56 -12.618 -9.853 9.194 429 H GLU 57 HN GLU 57 -12.335 -6.602 6.785 430 HA GLU 57 HA GLU 57 -13.893 -4.855 5.006 431 HB2 GLU 57 HB2 GLU 57 -13.457 -4.382 7.951 432 HB3 GLU 57 HB3 GLU 57 -13.217 -3.010 6.879 433 HG2 GLU 57 HG2 GLU 57 -15.495 -3.477 5.869 434 HG3 GLU 57 HG3 GLU 57 -15.721 -4.684 7.143 435 HA PRO 58 HA PRO 58 -9.934 -3.778 3.559 436 HB2 PRO 58 HB2 PRO 58 -10.025 -0.985 3.403 437 HB3 PRO 58 HB3 PRO 58 -10.510 -2.155 2.153 438 HG2 PRO 58 HG2 PRO 58 -12.210 -0.624 4.078 439 HG3 PRO 58 HG3 PRO 58 -12.598 -1.212 2.426 440 HD2 PRO 58 HD2 PRO 58 -13.533 -2.411 4.705 441 HD3 PRO 58 HD3 PRO 58 -13.187 -3.320 3.207 442 HA PRO 59 HA PRO 59 -7.362 -2.331 6.947 443 HB2 PRO 59 HB2 PRO 59 -5.020 -1.903 5.713 444 HB3 PRO 59 HB3 PRO 59 -5.664 -3.555 6.004 445 HG2 PRO 59 HG2 PRO 59 -5.784 -1.973 3.428 446 HG3 PRO 59 HG3 PRO 59 -5.354 -3.696 3.656 447 HD2 PRO 59 HD2 PRO 59 -7.875 -2.846 2.939 448 HD3 PRO 59 HD3 PRO 59 -7.599 -4.306 3.933 449 H ASP 60 HN ASP 60 -8.136 -0.403 7.554 450 HA ASP 60 HA ASP 60 -7.692 2.098 6.047 451 HB2 ASP 60 HB2 ASP 60 -9.616 1.828 7.626 452 HB3 ASP 60 HB3 ASP 60 -8.469 1.744 8.975 453 H PHE 61 HN PHE 61 -5.582 2.626 5.812 454 HA PHE 61 HA PHE 61 -3.566 1.860 7.823 455 HB2 PHE 61 HB2 PHE 61 -3.357 3.343 5.177 456 HB3 PHE 61 HB3 PHE 61 -1.993 2.876 6.172 457 HD1 PHE 61 HD2 PHE 61 -1.578 0.371 6.648 458 HD2 PHE 61 HD1 PHE 61 -4.330 1.779 3.628 459 HE1 PHE 61 HE2 PHE 61 -1.412 -1.821 5.457 460 HE2 PHE 61 HE1 PHE 61 -4.205 -0.406 2.505 461 HZ PHE 61 HZ PHE 61 -2.758 -2.216 3.418 462 H ILE 62 HN ILE 62 -5.695 4.496 7.531 463 HA ILE 62 HA ILE 62 -3.735 6.587 8.278 464 HB ILE 62 HB ILE 62 -6.700 7.084 7.869 465 HG12 ILE 62 HG12 ILE 62 -4.775 6.413 5.657 466 HG13 ILE 62 HG13 ILE 62 -6.408 5.846 5.929 467 HG21 ILE 62 HG21 ILE 62 -5.952 9.289 7.221 468 HG22 ILE 62 HG22 ILE 62 -5.132 8.849 8.700 469 HG23 ILE 62 HG23 ILE 62 -4.249 8.764 7.175 470 HD11 ILE 62 HD11 ILE 62 -6.495 7.342 4.079 471 HD12 ILE 62 HD12 ILE 62 -7.240 8.171 5.461 472 HD13 ILE 62 HD13 ILE 62 -5.588 8.602 4.935 473 H ALA 63 HN ALA 63 -6.648 4.885 9.354 474 HA ALA 63 HA ALA 63 -6.493 6.237 12.015 475 HB1 ALA 63 HB1 ALA 63 -8.879 5.000 10.599 476 HB2 ALA 63 HB2 ALA 63 -8.887 5.910 12.122 477 HB3 ALA 63 HB3 ALA 63 -8.487 6.741 10.609 478 H SER 64 HN SER 64 -5.190 3.581 10.921 479 HA SER 64 HA SER 64 -5.483 2.058 13.337 480 HB2 SER 64 HB2 SER 64 -6.903 1.268 10.801 481 HB3 SER 64 HB3 SER 64 -6.212 0.013 11.815 482 HG SER 64 HG SER 64 -7.831 2.057 12.864 483 H ARG 65 HN ARG 65 -3.793 0.423 13.471 484 HA ARG 65 HA ARG 65 -2.091 0.172 11.064 485 HB2 ARG 65 HB2 ARG 65 -0.009 0.502 12.311 486 HB3 ARG 65 HB3 ARG 65 -1.030 1.919 12.237 487 HG2 ARG 65 HG2 ARG 65 -0.068 1.919 14.353 488 HG3 ARG 65 HG3 ARG 65 -1.735 1.448 14.626 489 HD2 ARG 65 HD2 ARG 65 -1.043 -0.904 14.919 490 HD3 ARG 65 HD3 ARG 65 0.615 -0.470 14.485 491 HE ARG 65 HE ARG 65 0.989 0.136 16.583 492 HH11 ARG 65 HH11 ARG 65 -2.524 0.814 16.320 493 HH12 ARG 65 HH12 ARG 65 -2.790 0.509 17.992 494 HH21 ARG 65 HH21 ARG 65 0.352 -0.884 18.679 495 HH22 ARG 65 HH22 ARG 65 -1.213 -0.535 19.293 496 HA PRO 66 HA PRO 66 -2.143 -3.996 12.943 497 HB2 PRO 66 HB2 PRO 66 -4.195 -5.230 11.640 498 HB3 PRO 66 HB3 PRO 66 -4.377 -4.521 13.275 499 HG2 PRO 66 HG2 PRO 66 -5.225 -3.405 10.605 500 HG3 PRO 66 HG3 PRO 66 -6.086 -3.331 12.175 501 HD2 PRO 66 HD2 PRO 66 -4.568 -1.253 11.173 502 HD3 PRO 66 HD3 PRO 66 -4.800 -1.551 12.918 503 H ALA 67 HN ALA 67 -3.407 -2.973 9.735 504 HA ALA 67 HA ALA 67 -2.031 -5.066 8.359 505 HB1 ALA 67 HB1 ALA 67 -2.769 -3.919 6.320 506 HB2 ALA 67 HB2 ALA 67 -4.081 -4.111 7.502 507 HB3 ALA 67 HB3 ALA 67 -3.294 -2.526 7.282 508 H THR 68 HN THR 68 -0.921 -1.875 9.451 509 HA THR 68 HA THR 68 1.273 -1.504 7.796 510 HB THR 68 HB THR 68 1.379 -1.211 10.795 511 HG1 THR 68 HG1 THR 68 0.197 0.684 9.017 512 HG21 THR 68 HG21 THR 68 2.477 0.495 8.525 513 HG22 THR 68 HG22 THR 68 3.425 -0.611 9.540 514 HG23 THR 68 HG23 THR 68 2.668 0.818 10.267 515 H VAL 69 HN VAL 69 0.960 -3.900 10.490 516 HA VAL 69 HA VAL 69 3.663 -4.894 10.158 517 HB VAL 69 HB VAL 69 1.220 -6.183 11.459 518 HG11 VAL 69 HG11 VAL 69 4.196 -6.766 11.769 519 HG12 VAL 69 HG12 VAL 69 2.900 -7.488 12.744 520 HG13 VAL 69 HG13 VAL 69 2.992 -7.833 11.010 521 HG21 VAL 69 HG21 VAL 69 1.577 -4.066 12.562 522 HG22 VAL 69 HG22 VAL 69 2.320 -5.294 13.577 523 HG23 VAL 69 HG23 VAL 69 3.343 -4.300 12.542 524 H LYS 70 HN LYS 70 0.424 -5.844 9.042 525 HA LYS 70 HA LYS 70 1.172 -8.296 7.848 526 HB2 LYS 70 HB2 LYS 70 -1.108 -7.266 8.518 527 HB3 LYS 70 HB3 LYS 70 -1.136 -6.558 6.909 528 HG2 LYS 70 HG2 LYS 70 -1.277 -8.725 5.885 529 HG3 LYS 70 HG3 LYS 70 -0.699 -9.533 7.324 530 HD2 LYS 70 HD2 LYS 70 -2.837 -8.754 8.535 531 HD3 LYS 70 HD3 LYS 70 -3.366 -8.086 6.986 532 HE2 LYS 70 HE2 LYS 70 -4.468 -10.139 7.030 533 HE3 LYS 70 HE3 LYS 70 -3.024 -10.457 6.052 534 HZ1 LYS 70 HZ1 LYS 70 -3.665 -11.471 8.718 535 HZ2 LYS 70 HZ2 LYS 70 -2.087 -11.197 8.375 536 HZ3 LYS 70 HZ3 LYS 70 -3.000 -12.202 7.416 537 H LEU 71 HN LEU 71 1.224 -4.986 6.567 538 HA LEU 71 HA LEU 71 2.033 -5.519 3.893 539 HB2 LEU 71 HB2 LEU 71 2.671 -3.212 5.762 540 HB3 LEU 71 HB3 LEU 71 3.138 -3.224 4.081 541 HG LEU 71 HG LEU 71 0.253 -3.426 4.824 542 HD11 LEU 71 HD11 LEU 71 2.090 -1.025 4.420 543 HD12 LEU 71 HD12 LEU 71 1.014 -1.346 5.799 544 HD13 LEU 71 HD13 LEU 71 0.348 -0.892 4.221 545 HD21 LEU 71 HD21 LEU 71 0.791 -3.941 2.497 546 HD22 LEU 71 HD22 LEU 71 1.560 -2.327 2.354 547 HD23 LEU 71 HD23 LEU 71 -0.162 -2.463 2.664 548 H THR 72 HN THR 72 4.058 -5.169 6.936 549 HA THR 72 HA THR 72 6.565 -5.256 5.625 550 HB THR 72 HB THR 72 5.661 -6.035 8.419 551 HG1 THR 72 HG1 THR 72 6.174 -4.106 8.923 552 HG21 THR 72 HG21 THR 72 8.106 -5.788 9.041 553 HG22 THR 72 HG22 THR 72 8.480 -5.943 7.306 554 HG23 THR 72 HG23 THR 72 7.665 -7.258 8.171 555 H ARG 73 HN ARG 73 4.320 -7.836 6.470 556 HA ARG 73 HA ARG 73 6.075 -10.042 6.310 557 HB2 ARG 73 HB2 ARG 73 3.225 -9.944 5.245 558 HB3 ARG 73 HB3 ARG 73 4.128 -11.375 5.685 559 HG2 ARG 73 HG2 ARG 73 3.274 -9.155 7.614 560 HG3 ARG 73 HG3 ARG 73 2.466 -10.690 7.457 561 HD2 ARG 73 HD2 ARG 73 5.299 -10.232 8.434 562 HD3 ARG 73 HD3 ARG 73 3.897 -10.691 9.409 563 HE ARG 73 HE ARG 73 4.038 -12.652 7.468 564 HH11 ARG 73 HH11 ARG 73 6.486 -11.467 9.842 565 HH12 ARG 73 HH12 ARG 73 7.145 -13.051 10.065 566 HH21 ARG 73 HH21 ARG 73 5.233 -14.591 7.584 567 HH22 ARG 73 HH22 ARG 73 6.313 -14.871 8.911 568 H SER 74 HN SER 74 4.684 -8.062 3.720 569 HA SER 74 HA SER 74 5.818 -9.715 1.593 570 HB2 SER 74 HB2 SER 74 4.280 -7.086 1.519 571 HB3 SER 74 HB3 SER 74 4.562 -8.218 0.179 572 HG SER 74 HG SER 74 2.651 -8.744 0.778 573 H ILE 75 HN ILE 75 7.252 -7.434 3.632 574 HA ILE 75 HA ILE 75 8.813 -6.199 1.420 575 HB ILE 75 HB ILE 75 8.453 -5.035 4.165 576 HG12 ILE 75 HG12 ILE 75 7.233 -4.101 1.510 577 HG13 ILE 75 HG13 ILE 75 6.339 -5.015 2.708 578 HG21 ILE 75 HG21 ILE 75 9.596 -3.860 1.572 579 HG22 ILE 75 HG22 ILE 75 9.634 -3.121 3.189 580 HG23 ILE 75 HG23 ILE 75 10.598 -4.559 2.835 581 HD11 ILE 75 HD11 ILE 75 7.509 -2.252 3.120 582 HD12 ILE 75 HD12 ILE 75 5.810 -2.742 3.027 583 HD13 ILE 75 HD13 ILE 75 6.790 -3.253 4.411 584 HA PRO 76 HA PRO 76 11.667 -9.173 3.499 585 HB2 PRO 76 HB2 PRO 76 12.989 -10.032 1.303 586 HB3 PRO 76 HB3 PRO 76 11.265 -10.463 1.497 587 HG2 PRO 76 HG2 PRO 76 12.255 -8.079 -0.038 588 HG3 PRO 76 HG3 PRO 76 11.293 -9.475 -0.646 589 HD2 PRO 76 HD2 PRO 76 10.018 -7.294 0.297 590 HD3 PRO 76 HD3 PRO 76 9.436 -8.922 0.747 591 H ALA 77 HN ALA 77 14.231 -9.151 3.208 592 HA ALA 77 HA ALA 77 15.024 -6.598 4.171 593 HB1 ALA 77 HB1 ALA 77 16.738 -8.941 3.264 594 HB2 ALA 77 HB2 ALA 77 17.264 -7.560 4.256 595 HB3 ALA 77 HB3 ALA 77 16.065 -8.698 4.894 596 HA PRO 78 HA PRO 78 17.231 -5.878 -0.045 597 HB2 PRO 78 HB2 PRO 78 16.006 -6.816 -2.340 598 HB3 PRO 78 HB3 PRO 78 17.308 -7.680 -1.470 599 HG2 PRO 78 HG2 PRO 78 14.326 -8.095 -1.199 600 HG3 PRO 78 HG3 PRO 78 15.604 -9.327 -1.430 601 HD2 PRO 78 HD2 PRO 78 14.704 -8.892 0.975 602 HD3 PRO 78 HD3 PRO 78 16.457 -9.042 0.746 603 H TYR 79 HN TYR 79 13.721 -5.857 0.487 604 HA TYR 79 HA TYR 79 13.390 -3.820 -1.618 605 HB2 TYR 79 HB2 TYR 79 11.473 -5.648 -0.170 606 HB3 TYR 79 HB3 TYR 79 10.935 -4.384 -1.245 607 HD1 TYR 79 HD1 TYR 79 13.509 -4.926 -3.246 608 HD2 TYR 79 HD2 TYR 79 10.255 -7.343 -1.666 609 HE1 TYR 79 HE1 TYR 79 13.524 -6.205 -5.204 610 HE2 TYR 79 HE2 TYR 79 10.399 -8.755 -3.615 611 HH TYR 79 HH TYR 79 12.601 -8.224 -6.361 612 H LYS 80 HN LYS 80 14.589 -3.260 1.063 613 HA LYS 80 HA LYS 80 12.438 -2.156 2.715 614 HB2 LYS 80 HB2 LYS 80 15.460 -2.488 3.032 615 HB3 LYS 80 HB3 LYS 80 14.513 -1.630 4.242 616 HG2 LYS 80 HG2 LYS 80 13.962 -4.496 3.370 617 HG3 LYS 80 HG3 LYS 80 14.866 -4.012 4.811 618 HD2 LYS 80 HD2 LYS 80 12.791 -2.648 5.464 619 HD3 LYS 80 HD3 LYS 80 11.914 -3.517 4.218 620 HE2 LYS 80 HE2 LYS 80 11.921 -5.513 5.350 621 HE3 LYS 80 HE3 LYS 80 13.512 -5.222 6.048 622 HZ1 LYS 80 HZ1 LYS 80 11.065 -3.848 6.967 623 HZ2 LYS 80 HZ2 LYS 80 12.619 -3.673 7.557 624 HZ3 LYS 80 HZ3 LYS 80 11.843 -5.104 7.711 625 H GLN 81 HN GLN 81 14.582 -0.695 0.426 626 HA GLN 81 HA GLN 81 13.756 1.972 1.469 627 HB2 GLN 81 HB2 GLN 81 16.525 1.301 0.380 628 HB3 GLN 81 HB3 GLN 81 15.938 2.853 0.980 629 HG2 GLN 81 HG2 GLN 81 15.482 1.564 3.205 630 HG3 GLN 81 HG3 GLN 81 16.566 0.343 2.552 631 HE21 GLN 81 HE21 GLN 81 18.812 0.850 2.331 632 HE22 GLN 81 HE22 GLN 81 19.495 2.402 2.779 633 H LEU 82 HN LEU 82 12.764 0.086 -0.695 634 HA LEU 82 HA LEU 82 13.575 0.748 -3.226 635 HB2 LEU 82 HB2 LEU 82 10.813 0.010 -2.257 636 HB3 LEU 82 HB3 LEU 82 11.269 0.139 -3.954 637 HG LEU 82 HG LEU 82 12.475 -1.814 -2.022 638 HD11 LEU 82 HD11 LEU 82 10.528 -2.140 -4.352 639 HD12 LEU 82 HD12 LEU 82 10.117 -2.243 -2.632 640 HD13 LEU 82 HD13 LEU 82 11.176 -3.455 -3.368 641 HD21 LEU 82 HD21 LEU 82 14.135 -1.312 -3.744 642 HD22 LEU 82 HD22 LEU 82 12.910 -1.488 -5.015 643 HD23 LEU 82 HD23 LEU 82 13.439 -2.890 -4.053 644 H LEU 83 HN LEU 83 11.492 2.681 -1.191 645 HA LEU 83 HA LEU 83 10.432 4.541 -2.968 646 HB2 LEU 83 HB2 LEU 83 11.360 4.510 -0.110 647 HB3 LEU 83 HB3 LEU 83 11.192 6.070 -0.861 648 HG LEU 83 HG LEU 83 9.154 5.159 0.393 649 HD11 LEU 83 HD11 LEU 83 8.225 6.867 -0.871 650 HD12 LEU 83 HD12 LEU 83 7.630 5.589 -1.907 651 HD13 LEU 83 HD13 LEU 83 9.143 6.384 -2.311 652 HD21 LEU 83 HD21 LEU 83 8.550 3.502 -1.887 653 HD22 LEU 83 HD22 LEU 83 7.764 3.768 -0.286 654 HD23 LEU 83 HD23 LEU 83 9.347 2.954 -0.368 655 H LYS 84 HN LYS 84 13.881 4.258 -1.990 656 HA LYS 84 HA LYS 84 14.513 6.521 -3.737 657 HB2 LYS 84 HB2 LYS 84 16.657 6.536 -2.417 658 HB3 LYS 84 HB3 LYS 84 15.208 7.347 -1.815 659 HG2 LYS 84 HG2 LYS 84 14.778 5.401 -0.318 660 HG3 LYS 84 HG3 LYS 84 16.227 4.646 -1.029 661 HD2 LYS 84 HD2 LYS 84 17.605 6.517 -0.114 662 HD3 LYS 84 HD3 LYS 84 16.122 7.316 0.458 663 HE2 LYS 84 HE2 LYS 84 15.685 5.208 1.855 664 HE3 LYS 84 HE3 LYS 84 17.333 4.709 1.430 665 HZ1 LYS 84 HZ1 LYS 84 16.473 6.998 3.041 666 HZ2 LYS 84 HZ2 LYS 84 18.003 6.942 2.364 667 HZ3 LYS 84 HZ3 LYS 84 17.495 5.820 3.454 668 H GLU 85 HN GLU 85 15.320 3.227 -2.856 669 HA GLU 85 HA GLU 85 17.498 2.845 -4.631 670 HB2 GLU 85 HB2 GLU 85 15.290 0.816 -4.182 671 HB3 GLU 85 HB3 GLU 85 16.886 0.486 -4.768 672 HG2 GLU 85 HG2 GLU 85 17.890 0.964 -2.604 673 HG3 GLU 85 HG3 GLU 85 16.379 1.567 -1.978 674 H GLU 86 HN GLU 86 14.032 3.123 -5.325 675 HA GLU 86 HA GLU 86 14.608 2.838 -8.227 676 HB2 GLU 86 HB2 GLU 86 11.861 2.688 -7.000 677 HB3 GLU 86 HB3 GLU 86 12.414 2.119 -8.566 678 HG2 GLU 86 HG2 GLU 86 12.964 0.882 -5.831 679 HG3 GLU 86 HG3 GLU 86 11.927 0.259 -7.094 680 H LEU 87 HN LEU 87 12.379 4.695 -6.029 681 HA LEU 87 HA LEU 87 11.962 6.560 -8.195 682 HB2 LEU 87 HB2 LEU 87 10.801 7.529 -5.708 683 HB3 LEU 87 HB3 LEU 87 10.099 7.215 -7.271 684 HG LEU 87 HG LEU 87 10.520 5.064 -5.239 685 HD11 LEU 87 HD11 LEU 87 9.037 6.917 -4.421 686 HD12 LEU 87 HD12 LEU 87 8.161 5.381 -4.633 687 HD13 LEU 87 HD13 LEU 87 8.002 6.688 -5.834 688 HD21 LEU 87 HD21 LEU 87 8.648 5.238 -7.620 689 HD22 LEU 87 HD22 LEU 87 8.856 3.846 -6.547 690 HD23 LEU 87 HD23 LEU 87 10.177 4.339 -7.615 691 H GLY 88 HN GLY 88 13.027 7.135 -4.858 692 HA2 GLY 88 HA2 GLY 88 15.166 8.572 -4.708 693 HA3 GLY 88 HA1 GLY 88 14.241 9.753 -5.622 694 H PHE 89 HN PHE 89 12.087 8.223 -3.421 695 HA PHE 89 HA PHE 89 12.127 10.613 -1.659 696 HB2 PHE 89 HB2 PHE 89 9.944 9.793 -2.337 697 HB3 PHE 89 HB3 PHE 89 10.387 8.149 -1.890 698 HD1 PHE 89 HD1 PHE 89 9.683 11.556 -0.333 699 HD2 PHE 89 HD2 PHE 89 10.091 7.326 0.292 700 HE1 PHE 89 HE1 PHE 89 8.769 11.763 1.959 701 HE2 PHE 89 HE2 PHE 89 8.984 7.419 2.361 702 HZ PHE 89 HZ PHE 89 8.391 9.722 3.360 703 H ALA 90 HN ALA 90 12.515 10.459 0.607 704 HA ALA 90 HA ALA 90 13.701 7.892 1.584 705 HB1 ALA 90 HB1 ALA 90 15.511 9.457 1.239 706 HB2 ALA 90 HB2 ALA 90 14.632 10.712 2.137 707 HB3 ALA 90 HB3 ALA 90 15.227 9.270 2.978 708 H GLY 91 HN GLY 91 12.368 11.069 2.815 709 HA2 GLY 91 HA2 GLY 91 10.414 9.822 4.490 710 HA3 GLY 91 HA1 GLY 91 11.855 10.319 5.385 711 H TYR 92 HN TYR 92 9.369 11.533 5.872 712 HA TYR 92 HA TYR 92 9.543 14.267 4.753 713 HB2 TYR 92 HB2 TYR 92 7.781 13.032 6.904 714 HB3 TYR 92 HB3 TYR 92 7.675 14.699 6.344 715 HD1 TYR 92 HD1 TYR 92 6.980 15.219 4.011 716 HD2 TYR 92 HD2 TYR 92 6.991 11.167 5.480 717 HE1 TYR 92 HE1 TYR 92 5.754 14.500 1.997 718 HE2 TYR 92 HE2 TYR 92 5.842 10.453 3.392 719 HH TYR 92 HH TYR 92 5.545 11.070 1.243 720 H SER 93 HN SER 93 10.296 16.075 5.943 721 HA SER 93 HA SER 93 12.372 15.828 7.724 722 HB2 SER 93 HB2 SER 93 10.467 18.158 7.785 723 HB3 SER 93 HB3 SER 93 12.204 18.214 7.887 724 HG SER 93 HG SER 93 12.382 17.899 5.711 725 H ILE 94 HN ILE 94 12.565 16.287 9.927 726 HA ILE 94 HA ILE 94 10.715 14.897 11.579 727 HB ILE 94 HB ILE 94 12.955 14.954 12.268 728 HG12 ILE 94 HG12 ILE 94 12.790 15.666 14.645 729 HG13 ILE 94 HG13 ILE 94 11.338 16.564 14.314 730 HG21 ILE 94 HG21 ILE 94 14.111 16.931 13.140 731 HG22 ILE 94 HG22 ILE 94 13.696 17.111 11.444 732 HG23 ILE 94 HG23 ILE 94 12.736 17.953 12.685 733 HD11 ILE 94 HD11 ILE 94 10.905 14.356 15.380 734 HD12 ILE 94 HD12 ILE 94 10.110 14.469 13.804 735 HD13 ILE 94 HD13 ILE 94 11.615 13.546 13.966 736 H ASN 95 HN ASN 95 11.105 18.305 10.998 737 HA ASN 95 HA ASN 95 9.302 19.274 12.973 738 HB2 ASN 95 HB2 ASN 95 10.237 20.487 10.319 739 HB3 ASN 95 HB3 ASN 95 9.307 21.362 11.528 740 HD21 ASN 95 HD21 ASN 95 12.603 20.334 10.728 741 HD22 ASN 95 HD22 ASN 95 13.186 21.041 12.192 742 H GLU 96 HN GLU 96 8.600 17.430 10.203 743 HA GLU 96 HA GLU 96 5.815 18.386 10.053 744 HB2 GLU 96 HB2 GLU 96 7.673 17.569 7.778 745 HB3 GLU 96 HB3 GLU 96 5.942 17.918 7.635 746 HG2 GLU 96 HG2 GLU 96 6.564 20.211 8.751 747 HG3 GLU 96 HG3 GLU 96 8.214 19.838 8.203 748 H LEU 97 HN LEU 97 7.551 15.904 11.228 749 HA LEU 97 HA LEU 97 6.374 13.689 9.858 750 HB2 LEU 97 HB2 LEU 97 8.176 14.205 12.212 751 HB3 LEU 97 HB3 LEU 97 7.255 12.754 12.301 752 HG LEU 97 HG LEU 97 9.203 13.482 10.082 753 HD11 LEU 97 HD11 LEU 97 10.491 11.575 10.941 754 HD12 LEU 97 HD12 LEU 97 9.256 11.273 12.190 755 HD13 LEU 97 HD13 LEU 97 10.226 12.760 12.223 756 HD21 LEU 97 HD21 LEU 97 7.372 11.079 10.379 757 HD22 LEU 97 HD22 LEU 97 8.814 11.078 9.347 758 HD23 LEU 97 HD23 LEU 97 7.496 12.172 8.986 759 H VAL 98 HN VAL 98 4.253 13.521 9.833 760 HA VAL 98 HA VAL 98 2.814 13.399 12.426 761 HB VAL 98 HB VAL 98 0.756 14.102 11.154 762 HG11 VAL 98 HG11 VAL 98 1.191 16.446 11.283 763 HG12 VAL 98 HG12 VAL 98 1.992 15.618 12.627 764 HG13 VAL 98 HG13 VAL 98 2.957 16.176 11.222 765 HG21 VAL 98 HG21 VAL 98 0.948 15.426 9.114 766 HG22 VAL 98 HG22 VAL 98 2.679 15.090 9.023 767 HG23 VAL 98 HG23 VAL 98 1.498 13.775 8.814 768 HA PRO 99 HA PRO 99 1.828 9.316 11.154 769 HB2 PRO 99 HB2 PRO 99 -0.720 8.920 12.113 770 HB3 PRO 99 HB3 PRO 99 0.776 8.891 13.096 771 HG2 PRO 99 HG2 PRO 99 -1.159 11.172 12.718 772 HG3 PRO 99 HG3 PRO 99 -0.415 10.586 14.239 773 HD2 PRO 99 HD2 PRO 99 0.581 12.739 12.927 774 HD3 PRO 99 HD3 PRO 99 1.671 11.568 13.710 775 H ARG 100 HN ARG 100 -0.341 12.004 10.214 776 HA ARG 100 HA ARG 100 -1.836 10.444 8.296 777 HB2 ARG 100 HB2 ARG 100 -1.241 13.432 8.415 778 HB3 ARG 100 HB3 ARG 100 -2.223 12.673 7.161 779 HG2 ARG 100 HG2 ARG 100 -3.654 11.669 9.073 780 HG3 ARG 100 HG3 ARG 100 -2.798 12.770 10.144 781 HD2 ARG 100 HD2 ARG 100 -4.811 13.891 9.497 782 HD3 ARG 100 HD3 ARG 100 -3.518 14.676 8.609 783 HE ARG 100 HE ARG 100 -4.193 13.601 6.593 784 HH11 ARG 100 HH11 ARG 100 -6.380 12.851 9.299 785 HH12 ARG 100 HH12 ARG 100 -7.625 12.213 8.294 786 HH21 ARG 100 HH21 ARG 100 -5.652 12.580 5.309 787 HH22 ARG 100 HH22 ARG 100 -7.311 12.346 5.860 788 H LYS 101 HN LYS 101 1.301 12.072 8.063 789 HA LYS 101 HA LYS 101 1.492 11.672 5.153 790 HB2 LYS 101 HB2 LYS 101 3.224 12.923 7.300 791 HB3 LYS 101 HB3 LYS 101 3.927 12.502 5.730 792 HG2 LYS 101 HG2 LYS 101 2.543 14.037 4.569 793 HG3 LYS 101 HG3 LYS 101 1.406 14.171 5.916 794 HD2 LYS 101 HD2 LYS 101 2.502 15.894 6.775 795 HD3 LYS 101 HD3 LYS 101 3.947 14.949 6.967 796 HE2 LYS 101 HE2 LYS 101 4.544 16.891 5.787 797 HE3 LYS 101 HE3 LYS 101 4.723 15.493 4.726 798 HZ1 LYS 101 HZ1 LYS 101 2.681 17.615 4.567 799 HZ2 LYS 101 HZ2 LYS 101 2.494 16.199 3.740 800 HZ3 LYS 101 HZ3 LYS 101 3.765 17.131 3.438 801 H THR 102 HN THR 102 3.023 10.268 8.191 802 HA THR 102 HA THR 102 4.768 8.619 6.707 803 HB THR 102 HB THR 102 5.008 7.405 8.848 804 HG1 THR 102 HG1 THR 102 3.751 7.811 10.483 805 HG21 THR 102 HG21 THR 102 6.268 9.509 8.425 806 HG22 THR 102 HG22 THR 102 5.870 9.287 10.139 807 HG23 THR 102 HG23 THR 102 4.959 10.447 9.168 808 H ARG 103 HN ARG 103 1.432 7.989 7.840 809 HA ARG 103 HA ARG 103 1.019 5.375 6.977 810 HB2 ARG 103 HB2 ARG 103 -0.836 6.368 7.892 811 HB3 ARG 103 HB3 ARG 103 -0.649 7.868 7.016 812 HG2 ARG 103 HG2 ARG 103 -1.367 5.541 5.273 813 HG3 ARG 103 HG3 ARG 103 -2.558 5.979 6.478 814 HD2 ARG 103 HD2 ARG 103 -2.736 8.224 5.754 815 HD3 ARG 103 HD3 ARG 103 -1.348 8.089 4.702 816 HE ARG 103 HE ARG 103 -3.349 6.198 3.897 817 HH11 ARG 103 HH11 ARG 103 -2.763 9.697 3.951 818 HH12 ARG 103 HH12 ARG 103 -3.693 10.025 2.540 819 HH21 ARG 103 HH21 ARG 103 -4.810 6.643 2.222 820 HH22 ARG 103 HH22 ARG 103 -4.814 8.175 1.436 821 H ARG 104 HN ARG 104 0.916 8.254 4.799 822 HA ARG 104 HA ARG 104 0.312 6.505 2.586 823 HB2 ARG 104 HB2 ARG 104 0.838 8.747 1.241 824 HB3 ARG 104 HB3 ARG 104 -0.686 8.337 1.996 825 HG2 ARG 104 HG2 ARG 104 -0.047 9.645 4.000 826 HG3 ARG 104 HG3 ARG 104 1.410 10.192 3.185 827 HD2 ARG 104 HD2 ARG 104 -1.325 10.565 1.948 828 HD3 ARG 104 HD3 ARG 104 -0.790 11.638 3.246 829 HE ARG 104 HE ARG 104 1.274 11.395 1.302 830 HH11 ARG 104 HH11 ARG 104 -1.945 12.949 1.590 831 HH12 ARG 104 HH12 ARG 104 -1.420 14.344 0.689 832 HH21 ARG 104 HH21 ARG 104 1.836 13.335 0.002 833 HH22 ARG 104 HH22 ARG 104 0.618 14.578 -0.047 834 H ALA 105 HN ALA 105 3.355 7.965 3.751 835 HA ALA 105 HA ALA 105 5.014 6.987 1.653 836 HB1 ALA 105 HB1 ALA 105 6.807 6.968 3.355 837 HB2 ALA 105 HB2 ALA 105 5.841 8.435 3.486 838 HB3 ALA 105 HB3 ALA 105 5.616 7.134 4.654 839 H THR 106 HN THR 106 3.917 5.375 4.658 840 HA THR 106 HA THR 106 5.543 3.091 4.333 841 HB THR 106 HB THR 106 3.010 3.525 5.976 842 HG1 THR 106 HG1 THR 106 4.402 4.976 6.604 843 HG21 THR 106 HG21 THR 106 3.529 1.139 6.004 844 HG22 THR 106 HG22 THR 106 4.021 1.864 7.538 845 HG23 THR 106 HG23 THR 106 5.249 1.475 6.314 846 H MET 107 HN MET 107 2.082 3.607 3.374 847 HA MET 107 HA MET 107 1.855 1.005 2.217 848 HB2 MET 107 HB2 MET 107 0.070 1.925 0.804 849 HB3 MET 107 HB3 MET 107 -0.154 2.247 2.531 850 HG2 MET 107 HG2 MET 107 0.577 4.515 2.248 851 HG3 MET 107 HG3 MET 107 1.017 4.239 0.561 852 HE1 MET 107 HE1 MET 107 -3.376 4.384 1.913 853 HE2 MET 107 HE2 MET 107 -2.403 2.920 2.110 854 HE3 MET 107 HE3 MET 107 -2.020 4.371 3.069 855 H THR 108 HN THR 108 3.377 4.040 0.854 856 HA THR 108 HA THR 108 3.356 3.163 -1.810 857 HB THR 108 HB THR 108 5.676 4.746 -0.689 858 HG1 THR 108 HG1 THR 108 3.011 5.470 -0.748 859 HG21 THR 108 HG21 THR 108 4.105 4.864 -3.304 860 HG22 THR 108 HG22 THR 108 5.717 4.148 -3.096 861 HG23 THR 108 HG23 THR 108 5.489 5.883 -2.896 862 H ASN 109 HN ASN 109 5.825 2.515 0.762 863 HA ASN 109 HA ASN 109 7.695 1.438 -1.029 864 HB2 ASN 109 HB2 ASN 109 8.118 1.974 1.425 865 HB3 ASN 109 HB3 ASN 109 7.363 0.444 1.853 866 HD21 ASN 109 HD21 ASN 109 8.443 -1.613 0.599 867 HD22 ASN 109 HD22 ASN 109 10.181 -1.488 0.524 868 H TRP 110 HN TRP 110 5.017 -0.171 0.717 869 HA TRP 110 HA TRP 110 5.498 -2.895 -0.189 870 HB2 TRP 110 HB2 TRP 110 4.057 -2.357 1.760 871 HB3 TRP 110 HB3 TRP 110 2.983 -1.445 0.723 872 HD1 TRP 110 HD1 TRP 110 3.579 -4.871 2.020 873 HE1 TRP 110 HE1 TRP 110 1.914 -6.546 1.031 874 HE3 TRP 110 HE3 TRP 110 1.311 -1.835 -1.356 875 HZ2 TRP 110 HZ2 TRP 110 -0.164 -6.567 -1.026 876 HZ3 TRP 110 HZ3 TRP 110 -0.546 -2.669 -2.788 877 HH2 TRP 110 HH2 TRP 110 -1.266 -5.052 -2.626 878 H LEU 111 HN LEU 111 3.990 0.027 -1.555 879 HA LEU 111 HA LEU 111 2.361 -1.492 -3.462 880 HB2 LEU 111 HB2 LEU 111 2.449 1.289 -2.457 881 HB3 LEU 111 HB3 LEU 111 2.363 1.248 -4.182 882 HG LEU 111 HG LEU 111 0.375 -0.156 -2.388 883 HD11 LEU 111 HD11 LEU 111 0.149 2.438 -3.968 884 HD12 LEU 111 HD12 LEU 111 0.286 2.309 -2.199 885 HD13 LEU 111 HD13 LEU 111 -1.138 1.666 -3.023 886 HD21 LEU 111 HD21 LEU 111 -0.980 -0.346 -4.461 887 HD22 LEU 111 HD22 LEU 111 0.535 -1.233 -4.627 888 HD23 LEU 111 HD23 LEU 111 0.356 0.351 -5.401 889 H LEU 112 HN LEU 112 5.580 -1.013 -3.224 890 HA LEU 112 HA LEU 112 5.872 -1.069 -6.183 891 HB2 LEU 112 HB2 LEU 112 7.098 0.601 -6.259 892 HB3 LEU 112 HB3 LEU 112 6.383 1.117 -4.835 893 HG LEU 112 HG LEU 112 8.759 -0.400 -4.121 894 HD11 LEU 112 HD11 LEU 112 9.435 -0.167 -6.437 895 HD12 LEU 112 HD12 LEU 112 10.365 1.076 -5.537 896 HD13 LEU 112 HD13 LEU 112 8.983 1.530 -6.503 897 HD21 LEU 112 HD21 LEU 112 9.324 1.677 -3.093 898 HD22 LEU 112 HD22 LEU 112 7.544 1.485 -3.016 899 HD23 LEU 112 HD23 LEU 112 8.268 2.592 -4.203 900 H ALA 113 HN ALA 113 7.076 -2.195 -3.000 901 HA ALA 113 HA ALA 113 8.892 -4.197 -3.980 902 HB1 ALA 113 HB1 ALA 113 8.410 -5.299 -1.834 903 HB2 ALA 113 HB2 ALA 113 8.636 -3.558 -1.567 904 HB3 ALA 113 HB3 ALA 113 7.001 -4.250 -1.578 905 H TYR 114 HN TYR 114 5.293 -4.159 -3.726 906 HA TYR 114 HA TYR 114 4.996 -6.896 -4.351 907 HB2 TYR 114 HB2 TYR 114 3.217 -5.693 -3.363 908 HB3 TYR 114 HB3 TYR 114 3.156 -4.507 -4.630 909 HD1 TYR 114 HD2 TYR 114 2.757 -8.185 -4.030 910 HD2 TYR 114 HD1 TYR 114 1.715 -4.826 -6.536 911 HE1 TYR 114 HE2 TYR 114 1.093 -9.549 -5.182 912 HE2 TYR 114 HE1 TYR 114 -0.051 -6.162 -7.607 913 HH TYR 114 HH TYR 114 -0.457 -8.522 -8.087 914 H ARG 115 HN ARG 115 5.230 -4.040 -6.740 915 HA ARG 115 HA ARG 115 4.786 -5.815 -8.849 916 HB2 ARG 115 HB2 ARG 115 5.005 -4.019 -10.211 917 HB3 ARG 115 HB3 ARG 115 4.752 -3.175 -8.705 918 HG2 ARG 115 HG2 ARG 115 7.262 -2.963 -8.463 919 HG3 ARG 115 HG3 ARG 115 7.433 -3.735 -10.044 920 HD2 ARG 115 HD2 ARG 115 5.973 -1.896 -10.994 921 HD3 ARG 115 HD3 ARG 115 6.087 -1.091 -9.421 922 HE ARG 115 HE ARG 115 8.371 -0.787 -9.656 923 HH11 ARG 115 HH11 ARG 115 7.297 -2.790 -12.420 924 HH12 ARG 115 HH12 ARG 115 8.752 -2.528 -13.295 925 HH21 ARG 115 HH21 ARG 115 10.172 -0.318 -10.969 926 HH22 ARG 115 HH22 ARG 115 10.382 -1.117 -12.532 927 H ARG 116 HN ARG 116 7.675 -5.253 -6.965 928 HA ARG 116 HA ARG 116 9.601 -6.373 -8.743 929 HB2 ARG 116 HB2 ARG 116 9.632 -6.737 -5.725 930 HB3 ARG 116 HB3 ARG 116 10.957 -6.732 -6.854 931 HG2 ARG 116 HG2 ARG 116 9.392 -4.291 -6.118 932 HG3 ARG 116 HG3 ARG 116 10.928 -4.755 -5.418 933 HD2 ARG 116 HD2 ARG 116 11.070 -4.790 -8.323 934 HD3 ARG 116 HD3 ARG 116 10.450 -3.250 -7.763 935 HE ARG 116 HE ARG 116 12.545 -3.322 -6.196 936 HH11 ARG 116 HH11 ARG 116 12.333 -4.231 -9.640 937 HH12 ARG 116 HH12 ARG 116 14.039 -3.951 -9.906 938 HH21 ARG 116 HH21 ARG 116 14.659 -2.453 -6.890 939 HH22 ARG 116 HH22 ARG 116 15.339 -3.131 -8.290 940 H SER 117 HN SER 117 7.632 -7.845 -6.062 941 HA SER 117 HA SER 117 8.563 -10.422 -6.482 942 HB2 SER 117 HB2 SER 117 6.746 -11.109 -5.087 943 HB3 SER 117 HB3 SER 117 7.449 -9.524 -4.594 944 HG SER 117 HG SER 117 4.943 -10.069 -5.704 945 H GLN 118 HN GLN 118 5.994 -8.815 -8.006 946 HA GLN 118 HA GLN 118 4.493 -10.929 -9.163 947 HB2 GLN 118 HB2 GLN 118 5.114 -8.190 -10.305 948 HB3 GLN 118 HB3 GLN 118 4.079 -9.323 -11.152 949 HG2 GLN 118 HG2 GLN 118 2.404 -9.276 -9.453 950 HG3 GLN 118 HG3 GLN 118 3.483 -8.444 -8.310 951 HE21 GLN 118 HE21 GLN 118 2.286 -8.029 -11.710 952 HE22 GLN 118 HE22 GLN 118 1.786 -6.374 -11.463 953 H GLN 119 HN GLN 119 7.380 -9.462 -10.434 954 HA GLN 119 HA GLN 119 7.691 -11.488 -12.509 955 HB2 GLN 119 HB2 GLN 119 8.170 -9.672 -14.043 956 HB3 GLN 119 HB3 GLN 119 6.549 -9.738 -13.354 957 HG2 GLN 119 HG2 GLN 119 7.183 -7.478 -13.544 958 HG3 GLN 119 HG3 GLN 119 6.955 -7.960 -11.874 959 HE21 GLN 119 HE21 GLN 119 8.605 -7.510 -10.416 960 HE22 GLN 119 HE22 GLN 119 10.171 -6.856 -10.843 961 H ASP 120 HN ASP 120 8.990 -11.254 -9.900 962 HA ASP 120 HA ASP 120 11.302 -9.833 -9.911 963 HB2 ASP 120 HB2 ASP 120 11.524 -10.515 -7.818 964 HB3 ASP 120 HB3 ASP 120 9.882 -11.035 -8.047 Start of MODEL 14 1 H1 MET 1 HN MET 1 -5.364 -12.209 -8.753 2 HA MET 1 HA MET 1 -4.369 -11.329 -10.748 3 HB2 MET 1 HB2 MET 1 -5.840 -9.641 -11.130 4 HB3 MET 1 HB3 MET 1 -6.540 -10.249 -9.643 5 HG2 MET 1 HG2 MET 1 -4.957 -8.374 -8.547 6 HG3 MET 1 HG3 MET 1 -5.003 -7.711 -10.165 7 HE1 MET 1 HE1 MET 1 -6.475 -5.476 -10.113 8 HE2 MET 1 HE2 MET 1 -6.972 -6.695 -11.314 9 HE3 MET 1 HE3 MET 1 -8.194 -5.813 -10.356 10 H GLY 2 HN GLY 2 -2.939 -9.613 -11.715 11 HA2 GLY 2 HA2 GLY 2 -0.787 -8.776 -9.798 12 HA3 GLY 2 HA1 GLY 2 -0.519 -9.638 -11.305 13 H ILE 3 HN ILE 3 -2.004 -6.708 -10.030 14 HA ILE 3 HA ILE 3 -2.181 -5.373 -12.558 15 HB ILE 3 HB ILE 3 -1.883 -3.948 -9.888 16 HG12 ILE 3 HG12 ILE 3 -4.475 -5.080 -11.016 17 HG13 ILE 3 HG13 ILE 3 -3.579 -5.848 -9.708 18 HG21 ILE 3 HG21 ILE 3 -3.546 -3.297 -12.383 19 HG22 ILE 3 HG22 ILE 3 -3.395 -2.272 -10.936 20 HG23 ILE 3 HG23 ILE 3 -2.021 -2.520 -11.967 21 HD11 ILE 3 HD11 ILE 3 -5.204 -4.567 -8.587 22 HD12 ILE 3 HD12 ILE 3 -3.721 -3.602 -8.447 23 HD13 ILE 3 HD13 ILE 3 -4.970 -3.159 -9.638 24 H THR 4 HN THR 4 -0.903 -3.717 -13.376 25 HA THR 4 HA THR 4 1.996 -3.866 -12.991 26 HB THR 4 HB THR 4 0.153 -2.147 -14.711 27 HG1 THR 4 HG1 THR 4 1.861 -4.302 -15.451 28 HG21 THR 4 HG21 THR 4 2.237 -0.925 -14.465 29 HG22 THR 4 HG22 THR 4 2.243 -1.709 -16.057 30 HG23 THR 4 HG23 THR 4 3.176 -2.403 -14.721 31 H ILE 5 HN ILE 5 3.236 -2.181 -11.959 32 HA ILE 5 HA ILE 5 1.756 0.134 -10.815 33 HB ILE 5 HB ILE 5 4.178 -1.353 -9.788 34 HG12 ILE 5 HG12 ILE 5 1.963 -2.488 -9.387 35 HG13 ILE 5 HG13 ILE 5 2.942 -2.158 -7.984 36 HG21 ILE 5 HG21 ILE 5 2.882 1.163 -8.695 37 HG22 ILE 5 HG22 ILE 5 3.997 0.124 -7.765 38 HG23 ILE 5 HG23 ILE 5 4.549 0.932 -9.238 39 HD11 ILE 5 HD11 ILE 5 0.564 -1.777 -7.550 40 HD12 ILE 5 HD12 ILE 5 1.433 -0.240 -7.421 41 HD13 ILE 5 HD13 ILE 5 0.471 -0.613 -8.879 42 H THR 6 HN THR 6 2.818 2.195 -11.110 43 HA THR 6 HA THR 6 5.442 2.063 -12.439 44 HB THR 6 HB THR 6 4.740 4.248 -13.585 45 HG1 THR 6 HG1 THR 6 2.786 4.605 -14.045 46 HG21 THR 6 HG21 THR 6 3.506 1.587 -14.383 47 HG22 THR 6 HG22 THR 6 5.188 2.111 -14.669 48 HG23 THR 6 HG23 THR 6 3.866 2.940 -15.495 49 H ASP 7 HN ASP 7 6.930 3.578 -11.849 50 HA ASP 7 HA ASP 7 6.966 4.572 -9.258 51 HB2 ASP 7 HB2 ASP 7 8.539 5.154 -11.765 52 HB3 ASP 7 HB3 ASP 7 8.877 5.986 -10.255 53 H GLU 8 HN GLU 8 5.828 6.114 -12.279 54 HA GLU 8 HA GLU 8 5.614 8.776 -11.196 55 HB2 GLU 8 HB2 GLU 8 4.297 7.237 -13.422 56 HB3 GLU 8 HB3 GLU 8 3.668 8.830 -12.990 57 HG2 GLU 8 HG2 GLU 8 6.520 9.095 -13.248 58 HG3 GLU 8 HG3 GLU 8 6.014 8.071 -14.561 59 H LEU 9 HN LEU 9 3.292 6.070 -11.356 60 HA LEU 9 HA LEU 9 1.189 7.349 -9.899 61 HB2 LEU 9 HB2 LEU 9 1.740 4.805 -11.203 62 HB3 LEU 9 HB3 LEU 9 1.077 4.477 -9.639 63 HG LEU 9 HG LEU 9 -0.232 6.460 -11.527 64 HD11 LEU 9 HD11 LEU 9 0.012 4.206 -12.573 65 HD12 LEU 9 HD12 LEU 9 -1.684 4.676 -12.282 66 HD13 LEU 9 HD13 LEU 9 -0.892 3.514 -11.215 67 HD21 LEU 9 HD21 LEU 9 -0.937 6.621 -9.154 68 HD22 LEU 9 HD22 LEU 9 -1.266 4.875 -9.122 69 HD23 LEU 9 HD23 LEU 9 -2.242 5.951 -10.144 70 H LEU 10 HN LEU 10 4.128 5.905 -8.843 71 HA LEU 10 HA LEU 10 3.182 5.406 -6.101 72 HB2 LEU 10 HB2 LEU 10 5.887 5.224 -7.436 73 HB3 LEU 10 HB3 LEU 10 5.678 4.995 -5.708 74 HG LEU 10 HG LEU 10 4.035 3.368 -7.701 75 HD11 LEU 10 HD11 LEU 10 6.206 2.792 -8.386 76 HD12 LEU 10 HD12 LEU 10 5.833 1.563 -7.189 77 HD13 LEU 10 HD13 LEU 10 6.866 2.946 -6.751 78 HD21 LEU 10 HD21 LEU 10 3.257 3.331 -5.379 79 HD22 LEU 10 HD22 LEU 10 4.889 2.864 -4.821 80 HD23 LEU 10 HD23 LEU 10 3.931 1.780 -5.857 81 H TRP 11 HN TRP 11 5.256 7.759 -7.854 82 HA TRP 11 HA TRP 11 5.769 9.478 -5.648 83 HB2 TRP 11 HB2 TRP 11 5.800 9.780 -8.646 84 HB3 TRP 11 HB3 TRP 11 5.871 11.208 -7.630 85 HD1 TRP 11 HD1 TRP 11 8.101 8.490 -8.930 86 HE1 TRP 11 HE1 TRP 11 10.471 8.819 -8.062 87 HE3 TRP 11 HE3 TRP 11 7.118 11.899 -5.252 88 HZ2 TRP 11 HZ2 TRP 11 11.733 10.162 -5.838 89 HZ3 TRP 11 HZ3 TRP 11 8.932 12.680 -3.742 90 HH2 TRP 11 HH2 TRP 11 11.237 11.820 -4.015 91 H ALA 12 HN ALA 12 2.974 9.279 -7.856 92 HA ALA 12 HA ALA 12 1.599 11.556 -7.129 93 HB1 ALA 12 HB1 ALA 12 -0.437 10.257 -7.703 94 HB2 ALA 12 HB2 ALA 12 0.882 9.999 -8.867 95 HB3 ALA 12 HB3 ALA 12 0.501 8.763 -7.644 96 H ILE 13 HN ILE 13 1.861 8.561 -5.084 97 HA ILE 13 HA ILE 13 -0.110 9.547 -3.214 98 HB ILE 13 HB ILE 13 1.759 7.257 -2.876 99 HG12 ILE 13 HG12 ILE 13 -1.047 6.572 -3.670 100 HG13 ILE 13 HG13 ILE 13 -0.240 7.451 -4.951 101 HG21 ILE 13 HG21 ILE 13 0.543 7.822 -0.822 102 HG22 ILE 13 HG22 ILE 13 -0.989 7.858 -1.711 103 HG23 ILE 13 HG23 ILE 13 -0.092 6.335 -1.491 104 HD11 ILE 13 HD11 ILE 13 0.837 4.997 -3.548 105 HD12 ILE 13 HD12 ILE 13 0.161 5.095 -5.207 106 HD13 ILE 13 HD13 ILE 13 1.669 5.958 -4.793 107 H LEU 14 HN LEU 14 3.190 10.237 -3.807 108 HA LEU 14 HA LEU 14 3.835 10.761 -0.971 109 HB2 LEU 14 HB2 LEU 14 5.516 11.007 -3.500 110 HB3 LEU 14 HB3 LEU 14 6.086 11.399 -1.886 111 HG LEU 14 HG LEU 14 5.074 8.627 -2.662 112 HD11 LEU 14 HD11 LEU 14 7.073 9.231 -3.985 113 HD12 LEU 14 HD12 LEU 14 7.444 7.990 -2.799 114 HD13 LEU 14 HD13 LEU 14 7.925 9.680 -2.508 115 HD21 LEU 14 HD21 LEU 14 5.050 9.204 -0.206 116 HD22 LEU 14 HD22 LEU 14 6.767 9.569 -0.310 117 HD23 LEU 14 HD23 LEU 14 6.189 7.913 -0.610 118 H LYS 15 HN LYS 15 3.505 12.464 -4.111 119 HA LYS 15 HA LYS 15 4.333 15.008 -3.166 120 HB2 LYS 15 HB2 LYS 15 2.715 14.141 -5.622 121 HB3 LYS 15 HB3 LYS 15 3.370 15.762 -5.392 122 HG2 LYS 15 HG2 LYS 15 5.032 13.213 -5.602 123 HG3 LYS 15 HG3 LYS 15 4.714 14.354 -6.898 124 HD2 LYS 15 HD2 LYS 15 5.763 16.154 -5.405 125 HD3 LYS 15 HD3 LYS 15 6.262 14.806 -4.344 126 HE2 LYS 15 HE2 LYS 15 7.429 13.760 -6.303 127 HE3 LYS 15 HE3 LYS 15 6.972 15.144 -7.302 128 HZ1 LYS 15 HZ1 LYS 15 8.625 15.312 -4.851 129 HZ2 LYS 15 HZ2 LYS 15 8.239 16.556 -5.860 130 HZ3 LYS 15 HZ3 LYS 15 9.205 15.333 -6.397 131 H ASP 16 HN ASP 16 1.184 14.686 -4.687 132 HA ASP 16 HA ASP 16 -0.619 14.743 -2.663 133 HB2 ASP 16 HB2 ASP 16 0.385 17.523 -3.272 134 HB3 ASP 16 HB3 ASP 16 -1.350 17.282 -3.234 135 H GLU 17 HN GLU 17 -1.094 13.182 -4.585 136 HA GLU 17 HA GLU 17 -2.762 14.628 -6.495 137 HB2 GLU 17 HB2 GLU 17 -0.813 14.232 -7.746 138 HB3 GLU 17 HB3 GLU 17 -0.430 12.753 -6.890 139 HG2 GLU 17 HG2 GLU 17 -1.142 12.168 -9.071 140 HG3 GLU 17 HG3 GLU 17 -2.274 11.612 -7.832 141 H LEU 18 HN LEU 18 -1.856 11.418 -5.025 142 HA LEU 18 HA LEU 18 -4.597 10.466 -5.364 143 HB2 LEU 18 HB2 LEU 18 -2.183 9.436 -3.933 144 HB3 LEU 18 HB3 LEU 18 -3.698 8.941 -3.268 145 HG LEU 18 HG LEU 18 -2.904 7.320 -4.767 146 HD11 LEU 18 HD11 LEU 18 -5.498 8.444 -5.789 147 HD12 LEU 18 HD12 LEU 18 -5.233 7.429 -4.334 148 HD13 LEU 18 HD13 LEU 18 -4.925 6.768 -5.903 149 HD21 LEU 18 HD21 LEU 18 -1.745 8.752 -6.435 150 HD22 LEU 18 HD22 LEU 18 -3.317 9.329 -7.036 151 HD23 LEU 18 HD23 LEU 18 -2.857 7.639 -7.235 152 H SER 19 HN SER 19 -5.940 9.933 -3.705 153 HA SER 19 HA SER 19 -6.009 12.110 -1.678 154 HB2 SER 19 HB2 SER 19 -7.890 11.822 -3.548 155 HB3 SER 19 HB3 SER 19 -8.581 10.734 -2.330 156 HG SER 19 HG SER 19 -8.999 13.139 -2.364 157 H ASP 20 HN ASP 20 -7.708 11.204 0.278 158 HA ASP 20 HA ASP 20 -5.911 9.366 1.557 159 HB2 ASP 20 HB2 ASP 20 -7.493 9.525 3.500 160 HB3 ASP 20 HB3 ASP 20 -6.736 11.019 2.961 161 H ALA 21 HN ALA 21 -9.487 8.999 0.924 162 HA ALA 21 HA ALA 21 -9.434 6.199 1.389 163 HB1 ALA 21 HB1 ALA 21 -11.495 7.529 1.409 164 HB2 ALA 21 HB2 ALA 21 -11.289 7.898 -0.319 165 HB3 ALA 21 HB3 ALA 21 -11.620 6.229 0.202 166 H GLU 22 HN GLU 22 -8.673 8.095 -1.476 167 HA GLU 22 HA GLU 22 -8.801 5.945 -3.397 168 HB2 GLU 22 HB2 GLU 22 -7.305 8.580 -3.476 169 HB3 GLU 22 HB3 GLU 22 -7.593 7.524 -4.858 170 HG2 GLU 22 HG2 GLU 22 -9.758 8.911 -3.219 171 HG3 GLU 22 HG3 GLU 22 -9.075 9.477 -4.738 172 H ALA 23 HN ALA 23 -6.091 7.436 -1.518 173 HA ALA 23 HA ALA 23 -4.024 5.813 -2.631 174 HB1 ALA 23 HB1 ALA 23 -3.495 7.810 -1.289 175 HB2 ALA 23 HB2 ALA 23 -4.224 7.061 0.153 176 HB3 ALA 23 HB3 ALA 23 -2.749 6.371 -0.565 177 H ASN 24 HN ASN 24 -6.295 5.317 -0.025 178 HA ASN 24 HA ASN 24 -5.312 2.761 0.985 179 HB2 ASN 24 HB2 ASN 24 -7.849 4.329 1.191 180 HB3 ASN 24 HB3 ASN 24 -8.038 2.603 1.238 181 HD21 ASN 24 HD21 ASN 24 -8.885 4.021 3.322 182 HD22 ASN 24 HD22 ASN 24 -7.847 3.907 4.708 183 H ALA 25 HN ALA 25 -7.838 3.638 -1.418 184 HA ALA 25 HA ALA 25 -8.501 1.127 -2.267 185 HB1 ALA 25 HB1 ALA 25 -9.618 3.275 -2.900 186 HB2 ALA 25 HB2 ALA 25 -8.359 3.505 -4.141 187 HB3 ALA 25 HB3 ALA 25 -9.427 2.102 -4.216 188 H LEU 26 HN LEU 26 -5.818 3.116 -3.859 189 HA LEU 26 HA LEU 26 -5.136 1.184 -5.738 190 HB2 LEU 26 HB2 LEU 26 -3.288 3.055 -4.193 191 HB3 LEU 26 HB3 LEU 26 -2.894 2.197 -5.669 192 HG LEU 26 HG LEU 26 -4.795 4.506 -5.332 193 HD11 LEU 26 HD11 LEU 26 -2.340 3.991 -7.070 194 HD12 LEU 26 HD12 LEU 26 -2.406 5.008 -5.607 195 HD13 LEU 26 HD13 LEU 26 -3.297 5.472 -7.070 196 HD21 LEU 26 HD21 LEU 26 -4.485 2.794 -7.843 197 HD22 LEU 26 HD22 LEU 26 -5.344 4.353 -7.711 198 HD23 LEU 26 HD23 LEU 26 -5.963 2.959 -6.854 199 H VAL 27 HN VAL 27 -4.578 0.904 -2.298 200 HA VAL 27 HA VAL 27 -2.502 -1.187 -2.620 201 HB VAL 27 HB VAL 27 -4.004 -0.203 -0.157 202 HG11 VAL 27 HG11 VAL 27 -2.979 -2.405 0.204 203 HG12 VAL 27 HG12 VAL 27 -1.431 -1.809 -0.431 204 HG13 VAL 27 HG13 VAL 27 -2.070 -1.165 1.086 205 HG21 VAL 27 HG21 VAL 27 -2.250 1.233 0.356 206 HG22 VAL 27 HG22 VAL 27 -1.181 0.601 -0.940 207 HG23 VAL 27 HG23 VAL 27 -2.592 1.606 -1.305 208 H TRP 28 HN TRP 28 -5.921 -0.729 -1.693 209 HA TRP 28 HA TRP 28 -6.561 -3.392 -1.054 210 HB2 TRP 28 HB2 TRP 28 -8.342 -1.170 -2.108 211 HB3 TRP 28 HB3 TRP 28 -8.869 -2.612 -1.274 212 HD1 TRP 28 HD1 TRP 28 -6.167 -2.087 0.843 213 HE1 TRP 28 HE1 TRP 28 -6.722 -0.650 2.916 214 HE3 TRP 28 HE3 TRP 28 -10.359 0.333 -0.876 215 HZ2 TRP 28 HZ2 TRP 28 -8.902 0.858 3.846 216 HZ3 TRP 28 HZ3 TRP 28 -11.639 1.806 0.666 217 HH2 TRP 28 HH2 TRP 28 -10.961 2.029 3.038 218 H GLN 29 HN GLN 29 -6.775 -1.672 -4.234 219 HA GLN 29 HA GLN 29 -7.807 -3.881 -5.680 220 HB2 GLN 29 HB2 GLN 29 -6.692 -2.800 -7.692 221 HB3 GLN 29 HB3 GLN 29 -7.841 -1.848 -6.777 222 HG2 GLN 29 HG2 GLN 29 -6.129 -0.546 -5.884 223 HG3 GLN 29 HG3 GLN 29 -4.851 -1.643 -6.387 224 HE21 GLN 29 HE21 GLN 29 -7.567 -0.249 -8.358 225 HE22 GLN 29 HE22 GLN 29 -6.497 0.644 -9.425 226 H ALA 30 HN ALA 30 -4.370 -3.097 -5.029 227 HA ALA 30 HA ALA 30 -3.433 -5.219 -6.653 228 HB1 ALA 30 HB1 ALA 30 -1.244 -4.806 -5.511 229 HB2 ALA 30 HB2 ALA 30 -2.027 -3.292 -6.023 230 HB3 ALA 30 HB3 ALA 30 -2.076 -3.791 -4.314 231 H LEU 31 HN LEU 31 -4.256 -5.100 -3.202 232 HA LEU 31 HA LEU 31 -3.504 -7.827 -2.568 233 HB2 LEU 31 HB2 LEU 31 -5.252 -5.718 -1.312 234 HB3 LEU 31 HB3 LEU 31 -5.406 -7.390 -0.786 235 HG LEU 31 HG LEU 31 -2.713 -5.991 -0.823 236 HD11 LEU 31 HD11 LEU 31 -3.106 -5.664 1.654 237 HD12 LEU 31 HD12 LEU 31 -4.797 -6.082 1.400 238 HD13 LEU 31 HD13 LEU 31 -4.107 -4.648 0.610 239 HD21 LEU 31 HD21 LEU 31 -2.123 -7.745 0.823 240 HD22 LEU 31 HD22 LEU 31 -2.654 -8.476 -0.679 241 HD23 LEU 31 HD23 LEU 31 -3.746 -8.431 0.716 242 H GLY 32 HN GLY 32 -6.684 -6.301 -3.219 243 HA2 GLY 32 HA2 GLY 32 -8.015 -7.550 -4.966 244 HA3 GLY 32 HA1 GLY 32 -7.809 -8.965 -3.926 245 H TYR 33 HN TYR 33 -8.195 -6.138 -1.989 246 HA TYR 33 HA TYR 33 -10.853 -7.017 -1.101 247 HB2 TYR 33 HB2 TYR 33 -9.028 -4.798 -0.115 248 HB3 TYR 33 HB3 TYR 33 -10.585 -5.230 0.559 249 HD1 TYR 33 HD2 TYR 33 -10.951 -7.199 1.912 250 HD2 TYR 33 HD1 TYR 33 -7.071 -6.221 0.316 251 HE1 TYR 33 HE2 TYR 33 -9.938 -8.714 3.543 252 HE2 TYR 33 HE1 TYR 33 -6.014 -7.822 1.922 253 HH TYR 33 HH TYR 33 -7.799 -9.375 4.526 254 H VAL 34 HN VAL 34 -11.396 -6.390 -3.537 255 HA VAL 34 HA VAL 34 -11.818 -3.470 -3.895 256 HB VAL 34 HB VAL 34 -12.229 -5.745 -5.862 257 HG11 VAL 34 HG11 VAL 34 -12.159 -3.981 -7.567 258 HG12 VAL 34 HG12 VAL 34 -13.450 -3.609 -6.415 259 HG13 VAL 34 HG13 VAL 34 -11.915 -2.747 -6.319 260 HG21 VAL 34 HG21 VAL 34 -9.956 -5.769 -5.239 261 HG22 VAL 34 HG22 VAL 34 -10.053 -4.943 -6.806 262 HG23 VAL 34 HG23 VAL 34 -9.867 -3.988 -5.298 263 H TRP 35 HN TRP 35 -13.769 -2.565 -3.364 264 HA TRP 35 HA TRP 35 -15.967 -4.042 -2.363 265 HB2 TRP 35 HB2 TRP 35 -15.696 -1.735 -1.821 266 HB3 TRP 35 HB3 TRP 35 -15.765 -1.216 -3.480 267 HD1 TRP 35 HD1 TRP 35 -18.148 -0.895 -4.522 268 HE1 TRP 35 HE1 TRP 35 -20.513 -0.869 -3.603 269 HE3 TRP 35 HE3 TRP 35 -17.210 -2.993 0.098 270 HZ2 TRP 35 HZ2 TRP 35 -21.870 -1.712 -1.161 271 HZ3 TRP 35 HZ3 TRP 35 -19.051 -3.352 1.660 272 HH2 TRP 35 HH2 TRP 35 -21.376 -2.709 1.063 273 H ASP 36 HN ASP 36 -17.395 -5.374 -3.379 274 HA ASP 36 HA ASP 36 -17.919 -4.987 -6.272 275 HB2 ASP 36 HB2 ASP 36 -17.677 -7.407 -4.644 276 HB3 ASP 36 HB3 ASP 36 -19.238 -7.334 -5.305 277 H GLU 37 HN GLU 37 -19.321 -3.370 -6.311 278 HA GLU 37 HA GLU 37 -21.345 -2.755 -4.490 279 HB2 GLU 37 HB2 GLU 37 -20.461 -1.212 -6.028 280 HB3 GLU 37 HB3 GLU 37 -20.852 -2.187 -7.426 281 HG2 GLU 37 HG2 GLU 37 -23.172 -1.680 -7.318 282 HG3 GLU 37 HG3 GLU 37 -23.050 -1.100 -5.650 283 H ALA 38 HN ALA 38 -21.363 -5.038 -7.147 284 HA ALA 38 HA ALA 38 -24.241 -5.471 -7.224 285 HB1 ALA 38 HB1 ALA 38 -23.755 -7.395 -8.627 286 HB2 ALA 38 HB2 ALA 38 -22.717 -6.064 -9.149 287 HB3 ALA 38 HB3 ALA 38 -22.049 -7.375 -8.154 288 H GLN 39 HN GLN 39 -21.760 -6.515 -5.048 289 HA GLN 39 HA GLN 39 -23.502 -8.684 -3.998 290 HB2 GLN 39 HB2 GLN 39 -20.484 -8.377 -3.853 291 HB3 GLN 39 HB3 GLN 39 -21.406 -9.551 -2.915 292 HG2 GLN 39 HG2 GLN 39 -22.251 -10.664 -4.861 293 HG3 GLN 39 HG3 GLN 39 -21.586 -9.402 -5.899 294 HE21 GLN 39 HE21 GLN 39 -20.181 -10.502 -7.149 295 HE22 GLN 39 HE22 GLN 39 -18.784 -11.372 -6.531 296 H SER 40 HN SER 40 -22.685 -5.492 -3.635 297 HA SER 40 HA SER 40 -22.457 -4.010 -2.066 298 HB2 SER 40 HB2 SER 40 -24.286 -4.139 -0.293 299 HB3 SER 40 HB3 SER 40 -24.729 -4.009 -1.989 300 HG SER 40 HG SER 40 -25.619 -5.883 -1.973 301 H CYS 41 HN CYS 41 -20.475 -5.965 -1.897 302 HA CYS 41 HA CYS 41 -19.606 -5.554 0.849 303 HB2 CYS 41 HB2 CYS 41 -20.442 -8.290 -0.127 304 HB3 CYS 41 HB3 CYS 41 -19.048 -8.160 0.934 305 HG CYS 41 HG CYS 41 -22.040 -6.882 1.454 306 H TRP 42 HN TRP 42 -17.405 -6.569 1.141 307 HA TRP 42 HA TRP 42 -15.643 -5.675 -0.939 308 HB2 TRP 42 HB2 TRP 42 -15.150 -7.355 1.551 309 HB3 TRP 42 HB3 TRP 42 -13.922 -6.505 0.612 310 HD1 TRP 42 HD1 TRP 42 -16.155 -5.963 3.556 311 HE1 TRP 42 HE1 TRP 42 -16.325 -3.494 4.165 312 HE3 TRP 42 HE3 TRP 42 -13.851 -3.946 -0.544 313 HZ2 TRP 42 HZ2 TRP 42 -15.626 -0.951 3.026 314 HZ3 TRP 42 HZ3 TRP 42 -13.625 -1.479 -0.722 315 HH2 TRP 42 HH2 TRP 42 -14.507 0.001 0.975 316 H LYS 43 HN LYS 43 -14.508 -6.909 -2.554 317 HA LYS 43 HA LYS 43 -15.170 -9.753 -2.776 318 HB2 LYS 43 HB2 LYS 43 -13.281 -7.853 -4.203 319 HB3 LYS 43 HB3 LYS 43 -13.166 -9.613 -4.407 320 HG2 LYS 43 HG2 LYS 43 -15.442 -9.767 -5.130 321 HG3 LYS 43 HG3 LYS 43 -15.712 -8.063 -4.809 322 HD2 LYS 43 HD2 LYS 43 -13.422 -8.754 -6.621 323 HD3 LYS 43 HD3 LYS 43 -15.057 -9.008 -7.241 324 HE2 LYS 43 HE2 LYS 43 -15.602 -6.644 -6.257 325 HE3 LYS 43 HE3 LYS 43 -13.894 -6.403 -6.162 326 HZ1 LYS 43 HZ1 LYS 43 -14.946 -5.520 -8.172 327 HZ2 LYS 43 HZ2 LYS 43 -15.450 -6.997 -8.605 328 HZ3 LYS 43 HZ3 LYS 43 -13.823 -6.618 -8.609 329 H THR 44 HN THR 44 -13.712 -11.308 -2.459 330 HA THR 44 HA THR 44 -11.123 -10.677 -1.265 331 HB THR 44 HB THR 44 -11.607 -12.634 0.510 332 HG1 THR 44 HG1 THR 44 -13.903 -12.862 -0.124 333 HG21 THR 44 HG21 THR 44 -12.613 -9.813 0.974 334 HG22 THR 44 HG22 THR 44 -10.902 -10.287 0.975 335 HG23 THR 44 HG23 THR 44 -12.015 -10.969 2.167 336 H ASP 45 HN ASP 45 -12.764 -12.299 -3.695 337 HA ASP 45 HA ASP 45 -11.609 -14.894 -3.678 338 HB2 ASP 45 HB2 ASP 45 -12.411 -12.984 -5.894 339 HB3 ASP 45 HB3 ASP 45 -11.801 -14.611 -6.207 340 H LEU 46 HN LEU 46 -10.429 -11.700 -4.645 341 HA LEU 46 HA LEU 46 -8.313 -12.848 -6.223 342 HB2 LEU 46 HB2 LEU 46 -9.013 -9.943 -5.705 343 HB3 LEU 46 HB3 LEU 46 -7.792 -10.503 -6.852 344 HG LEU 46 HG LEU 46 -10.771 -11.033 -6.997 345 HD11 LEU 46 HD11 LEU 46 -9.961 -8.731 -7.629 346 HD12 LEU 46 HD12 LEU 46 -10.739 -9.613 -8.958 347 HD13 LEU 46 HD13 LEU 46 -8.973 -9.496 -8.896 348 HD21 LEU 46 HD21 LEU 46 -8.503 -12.021 -8.792 349 HD22 LEU 46 HD22 LEU 46 -10.194 -11.997 -9.300 350 HD23 LEU 46 HD23 LEU 46 -9.712 -13.001 -7.939 351 H VAL 47 HN VAL 47 -8.475 -12.578 -3.039 352 HA VAL 47 HA VAL 47 -5.684 -11.590 -2.697 353 HB VAL 47 HB VAL 47 -7.063 -10.005 -1.802 354 HG11 VAL 47 HG11 VAL 47 -9.137 -10.875 -1.697 355 HG12 VAL 47 HG12 VAL 47 -8.714 -11.906 -0.303 356 HG13 VAL 47 HG13 VAL 47 -8.748 -10.135 -0.148 357 HG21 VAL 47 HG21 VAL 47 -6.351 -11.615 0.656 358 HG22 VAL 47 HG22 VAL 47 -5.156 -10.655 -0.270 359 HG23 VAL 47 HG23 VAL 47 -6.512 -9.869 0.542 360 H ALA 48 HN ALA 48 -4.437 -12.565 -0.946 361 HA ALA 48 HA ALA 48 -4.416 -15.407 -1.273 362 HB1 ALA 48 HB1 ALA 48 -2.501 -15.332 0.237 363 HB2 ALA 48 HB2 ALA 48 -2.367 -13.994 -0.910 364 HB3 ALA 48 HB3 ALA 48 -2.909 -13.679 0.750 365 HA PRO 49 HA PRO 49 -7.122 -16.557 2.007 366 HB2 PRO 49 HB2 PRO 49 -6.091 -18.902 2.952 367 HB3 PRO 49 HB3 PRO 49 -6.908 -18.727 1.372 368 HG2 PRO 49 HG2 PRO 49 -3.943 -18.776 1.934 369 HG3 PRO 49 HG3 PRO 49 -4.844 -19.609 0.627 370 HD2 PRO 49 HD2 PRO 49 -3.512 -17.248 0.257 371 HD3 PRO 49 HD3 PRO 49 -5.000 -17.614 -0.642 372 H GLU 50 HN GLU 50 -3.617 -16.518 2.824 373 HA GLU 50 HA GLU 50 -3.997 -16.177 5.630 374 HB2 GLU 50 HB2 GLU 50 -1.691 -15.904 5.774 375 HB3 GLU 50 HB3 GLU 50 -1.923 -17.031 4.430 376 HG2 GLU 50 HG2 GLU 50 -1.601 -15.087 2.840 377 HG3 GLU 50 HG3 GLU 50 -1.373 -14.028 4.199 378 H TRP 51 HN TRP 51 -4.907 -14.051 3.229 379 HA TRP 51 HA TRP 51 -4.480 -11.689 4.986 380 HB2 TRP 51 HB2 TRP 51 -4.539 -11.958 2.026 381 HB3 TRP 51 HB3 TRP 51 -5.350 -10.565 2.721 382 HD1 TRP 51 HD1 TRP 51 -1.883 -12.027 2.211 383 HE1 TRP 51 HE1 TRP 51 -0.114 -10.332 2.827 384 HE3 TRP 51 HE3 TRP 51 -4.917 -8.363 4.189 385 HZ2 TRP 51 HZ2 TRP 51 0.001 -7.602 3.785 386 HZ3 TRP 51 HZ3 TRP 51 -3.941 -6.192 4.838 387 HH2 TRP 51 HH2 TRP 51 -1.504 -5.798 4.633 388 H ARG 52 HN ARG 52 -6.924 -13.177 2.775 389 HA ARG 52 HA ARG 52 -9.053 -11.594 3.892 390 HB2 ARG 52 HB2 ARG 52 -10.608 -13.033 2.773 391 HB3 ARG 52 HB3 ARG 52 -9.347 -12.363 1.777 392 HG2 ARG 52 HG2 ARG 52 -8.428 -14.968 2.610 393 HG3 ARG 52 HG3 ARG 52 -10.139 -15.134 2.184 394 HD2 ARG 52 HD2 ARG 52 -9.530 -13.697 0.102 395 HD3 ARG 52 HD3 ARG 52 -7.895 -13.995 0.459 396 HE ARG 52 HE ARG 52 -8.071 -16.038 -0.507 397 HH11 ARG 52 HH11 ARG 52 -11.443 -15.137 0.322 398 HH12 ARG 52 HH12 ARG 52 -12.091 -16.009 -1.021 399 HH21 ARG 52 HH21 ARG 52 -8.986 -17.447 -1.990 400 HH22 ARG 52 HH22 ARG 52 -10.711 -17.558 -2.155 401 H GLN 53 HN GLN 53 -7.441 -14.272 5.214 402 HA GLN 53 HA GLN 53 -9.088 -15.983 6.345 403 HB2 GLN 53 HB2 GLN 53 -6.399 -15.010 6.771 404 HB3 GLN 53 HB3 GLN 53 -7.115 -15.192 8.361 405 HG2 GLN 53 HG2 GLN 53 -7.593 -17.485 8.011 406 HG3 GLN 53 HG3 GLN 53 -7.231 -17.396 6.280 407 HE21 GLN 53 HE21 GLN 53 -5.435 -18.937 6.222 408 HE22 GLN 53 HE22 GLN 53 -3.943 -18.578 7.059 409 H ASP 54 HN ASP 54 -8.410 -12.815 7.886 410 HA ASP 54 HA ASP 54 -10.657 -13.232 9.743 411 HB2 ASP 54 HB2 ASP 54 -7.733 -12.995 10.394 412 HB3 ASP 54 HB3 ASP 54 -8.832 -12.134 11.442 413 H TYR 55 HN TYR 55 -9.979 -11.500 7.271 414 HA TYR 55 HA TYR 55 -9.922 -8.745 8.383 415 HB2 TYR 55 HB2 TYR 55 -8.857 -9.971 5.853 416 HB3 TYR 55 HB3 TYR 55 -9.374 -8.292 5.877 417 HD1 TYR 55 HD2 TYR 55 -7.273 -10.498 8.141 418 HD2 TYR 55 HD1 TYR 55 -7.688 -6.731 6.077 419 HE1 TYR 55 HE2 TYR 55 -5.263 -9.667 9.280 420 HE2 TYR 55 HE1 TYR 55 -5.689 -5.887 7.223 421 HH TYR 55 HH TYR 55 -4.353 -6.295 9.191 422 HA PRO 56 HA PRO 56 -14.245 -9.376 6.724 423 HB2 PRO 56 HB2 PRO 56 -15.448 -7.644 8.506 424 HB3 PRO 56 HB3 PRO 56 -15.219 -9.389 8.782 425 HG2 PRO 56 HG2 PRO 56 -13.504 -7.110 9.762 426 HG3 PRO 56 HG3 PRO 56 -14.086 -8.539 10.678 427 HD2 PRO 56 HD2 PRO 56 -11.589 -8.448 9.657 428 HD3 PRO 56 HD3 PRO 56 -12.503 -9.975 9.597 429 H GLU 57 HN GLU 57 -12.124 -6.591 7.321 430 HA GLU 57 HA GLU 57 -13.545 -5.112 5.170 431 HB2 GLU 57 HB2 GLU 57 -12.810 -4.154 7.922 432 HB3 GLU 57 HB3 GLU 57 -12.463 -3.065 6.590 433 HG2 GLU 57 HG2 GLU 57 -14.877 -3.438 5.784 434 HG3 GLU 57 HG3 GLU 57 -15.152 -4.233 7.334 435 HA PRO 58 HA PRO 58 -9.556 -4.658 3.338 436 HB2 PRO 58 HB2 PRO 58 -9.545 -2.084 2.465 437 HB3 PRO 58 HB3 PRO 58 -10.453 -3.363 1.652 438 HG2 PRO 58 HG2 PRO 58 -11.495 -1.337 3.643 439 HG3 PRO 58 HG3 PRO 58 -12.196 -1.833 2.079 440 HD2 PRO 58 HD2 PRO 58 -13.062 -2.888 4.403 441 HD3 PRO 58 HD3 PRO 58 -12.879 -3.937 2.971 442 HA PRO 59 HA PRO 59 -7.098 -3.189 6.580 443 HB2 PRO 59 HB2 PRO 59 -4.667 -2.711 5.411 444 HB3 PRO 59 HB3 PRO 59 -5.362 -4.346 5.662 445 HG2 PRO 59 HG2 PRO 59 -5.370 -2.736 3.122 446 HG3 PRO 59 HG3 PRO 59 -5.018 -4.478 3.359 447 HD2 PRO 59 HD2 PRO 59 -7.454 -3.580 2.549 448 HD3 PRO 59 HD3 PRO 59 -7.282 -5.006 3.617 449 H ASP 60 HN ASP 60 -7.660 -1.292 7.490 450 HA ASP 60 HA ASP 60 -7.436 1.259 6.099 451 HB2 ASP 60 HB2 ASP 60 -9.220 0.652 7.836 452 HB3 ASP 60 HB3 ASP 60 -7.984 0.874 9.067 453 H PHE 61 HN PHE 61 -5.383 2.006 5.767 454 HA PHE 61 HA PHE 61 -3.269 1.600 7.809 455 HB2 PHE 61 HB2 PHE 61 -3.192 2.997 5.111 456 HB3 PHE 61 HB3 PHE 61 -1.802 2.650 6.132 457 HD1 PHE 61 HD2 PHE 61 -1.036 0.275 6.488 458 HD2 PHE 61 HD1 PHE 61 -4.233 1.249 3.756 459 HE1 PHE 61 HE2 PHE 61 -0.844 -1.961 5.439 460 HE2 PHE 61 HE1 PHE 61 -4.002 -0.947 2.689 461 HZ PHE 61 HZ PHE 61 -2.335 -2.582 3.516 462 H ILE 62 HN ILE 62 -5.711 3.933 7.226 463 HA ILE 62 HA ILE 62 -3.993 6.249 7.874 464 HB ILE 62 HB ILE 62 -6.835 6.104 6.822 465 HG12 ILE 62 HG12 ILE 62 -4.226 6.639 5.325 466 HG13 ILE 62 HG13 ILE 62 -5.173 5.159 5.218 467 HG21 ILE 62 HG21 ILE 62 -4.940 8.483 7.070 468 HG22 ILE 62 HG22 ILE 62 -6.554 8.507 6.314 469 HG23 ILE 62 HG23 ILE 62 -6.407 8.199 8.032 470 HD11 ILE 62 HD11 ILE 62 -7.099 6.465 4.306 471 HD12 ILE 62 HD12 ILE 62 -6.029 7.877 4.219 472 HD13 ILE 62 HD13 ILE 62 -5.646 6.427 3.286 473 H ALA 63 HN ALA 63 -6.989 4.574 8.938 474 HA ALA 63 HA ALA 63 -7.010 6.166 11.442 475 HB1 ALA 63 HB1 ALA 63 -9.206 5.310 11.777 476 HB2 ALA 63 HB2 ALA 63 -9.109 5.786 10.072 477 HB3 ALA 63 HB3 ALA 63 -8.990 4.069 10.545 478 H SER 64 HN SER 64 -5.728 3.127 10.320 479 HA SER 64 HA SER 64 -5.296 2.334 13.108 480 HB2 SER 64 HB2 SER 64 -7.467 1.292 12.055 481 HB3 SER 64 HB3 SER 64 -6.324 0.230 11.204 482 HG SER 64 HG SER 64 -7.212 -0.180 13.526 483 H ARG 65 HN ARG 65 -3.925 0.121 13.015 484 HA ARG 65 HA ARG 65 -2.246 0.085 10.646 485 HB2 ARG 65 HB2 ARG 65 -0.071 0.378 11.775 486 HB3 ARG 65 HB3 ARG 65 -1.070 1.794 11.830 487 HG2 ARG 65 HG2 ARG 65 -0.083 1.794 13.888 488 HG3 ARG 65 HG3 ARG 65 -1.660 1.116 14.273 489 HD2 ARG 65 HD2 ARG 65 -0.719 -1.099 14.489 490 HD3 ARG 65 HD3 ARG 65 0.803 -0.593 13.731 491 HE ARG 65 HE ARG 65 0.318 0.924 16.108 492 HH11 ARG 65 HH11 ARG 65 1.532 -2.236 14.969 493 HH12 ARG 65 HH12 ARG 65 2.227 -2.635 16.527 494 HH21 ARG 65 HH21 ARG 65 1.274 0.267 18.171 495 HH22 ARG 65 HH22 ARG 65 2.048 -1.296 18.255 496 HA PRO 66 HA PRO 66 -2.418 -4.061 12.810 497 HB2 PRO 66 HB2 PRO 66 -4.433 -5.358 11.471 498 HB3 PRO 66 HB3 PRO 66 -4.675 -4.469 13.010 499 HG2 PRO 66 HG2 PRO 66 -5.214 -3.520 10.176 500 HG3 PRO 66 HG3 PRO 66 -6.255 -3.377 11.629 501 HD2 PRO 66 HD2 PRO 66 -4.694 -1.302 10.833 502 HD3 PRO 66 HD3 PRO 66 -4.906 -1.706 12.561 503 H ALA 67 HN ALA 67 -3.186 -3.145 9.412 504 HA ALA 67 HA ALA 67 -2.095 -5.588 8.322 505 HB1 ALA 67 HB1 ALA 67 -3.880 -4.223 7.278 506 HB2 ALA 67 HB2 ALA 67 -2.685 -2.951 6.935 507 HB3 ALA 67 HB3 ALA 67 -2.518 -4.540 6.182 508 H THR 68 HN THR 68 -0.657 -2.524 9.322 509 HA THR 68 HA THR 68 1.630 -2.371 7.827 510 HB THR 68 HB THR 68 1.243 -1.914 10.812 511 HG1 THR 68 HG1 THR 68 0.628 0.203 9.966 512 HG21 THR 68 HG21 THR 68 2.791 -0.036 10.537 513 HG22 THR 68 HG22 THR 68 3.039 -0.467 8.829 514 HG23 THR 68 HG23 THR 68 3.588 -1.562 10.113 515 H VAL 69 HN VAL 69 0.992 -4.621 10.592 516 HA VAL 69 HA VAL 69 3.652 -5.697 10.707 517 HB VAL 69 HB VAL 69 1.025 -7.062 11.455 518 HG11 VAL 69 HG11 VAL 69 3.855 -7.373 12.552 519 HG12 VAL 69 HG12 VAL 69 2.411 -8.224 13.147 520 HG13 VAL 69 HG13 VAL 69 3.004 -8.542 11.516 521 HG21 VAL 69 HG21 VAL 69 1.401 -6.147 13.748 522 HG22 VAL 69 HG22 VAL 69 2.667 -5.090 13.087 523 HG23 VAL 69 HG23 VAL 69 0.972 -4.909 12.577 524 H LYS 70 HN LYS 70 0.699 -6.548 8.977 525 HA LYS 70 HA LYS 70 1.523 -9.044 7.907 526 HB2 LYS 70 HB2 LYS 70 -0.816 -7.766 8.296 527 HB3 LYS 70 HB3 LYS 70 -0.610 -7.349 6.603 528 HG2 LYS 70 HG2 LYS 70 -0.664 -9.679 5.959 529 HG3 LYS 70 HG3 LYS 70 -0.384 -10.205 7.623 530 HD2 LYS 70 HD2 LYS 70 -2.594 -9.254 8.309 531 HD3 LYS 70 HD3 LYS 70 -2.904 -8.779 6.641 532 HE2 LYS 70 HE2 LYS 70 -4.093 -10.795 7.023 533 HE3 LYS 70 HE3 LYS 70 -2.724 -11.206 5.977 534 HZ1 LYS 70 HZ1 LYS 70 -3.116 -12.778 7.780 535 HZ2 LYS 70 HZ2 LYS 70 -2.766 -11.658 8.910 536 HZ3 LYS 70 HZ3 LYS 70 -1.609 -12.164 7.804 537 H LEU 71 HN LEU 71 1.335 -5.775 6.515 538 HA LEU 71 HA LEU 71 2.560 -6.067 4.020 539 HB2 LEU 71 HB2 LEU 71 2.226 -3.888 6.029 540 HB3 LEU 71 HB3 LEU 71 3.655 -3.718 5.022 541 HG LEU 71 HG LEU 71 2.300 -3.858 2.997 542 HD11 LEU 71 HD11 LEU 71 -0.021 -4.006 4.928 543 HD12 LEU 71 HD12 LEU 71 0.420 -5.125 3.608 544 HD13 LEU 71 HD13 LEU 71 -0.179 -3.518 3.225 545 HD21 LEU 71 HD21 LEU 71 2.878 -1.669 3.922 546 HD22 LEU 71 HD22 LEU 71 1.470 -1.715 5.002 547 HD23 LEU 71 HD23 LEU 71 1.247 -1.617 3.237 548 H THR 72 HN THR 72 4.172 -5.571 7.258 549 HA THR 72 HA THR 72 6.765 -5.451 6.192 550 HB THR 72 HB THR 72 5.688 -6.135 8.940 551 HG1 THR 72 HG1 THR 72 5.913 -4.087 9.283 552 HG21 THR 72 HG21 THR 72 8.558 -5.719 8.039 553 HG22 THR 72 HG22 THR 72 7.876 -7.138 8.858 554 HG23 THR 72 HG23 THR 72 8.010 -5.607 9.732 555 H ARG 73 HN ARG 73 4.746 -8.297 7.095 556 HA ARG 73 HA ARG 73 6.870 -10.139 6.911 557 HB2 ARG 73 HB2 ARG 73 4.017 -10.756 6.068 558 HB3 ARG 73 HB3 ARG 73 5.270 -11.854 6.636 559 HG2 ARG 73 HG2 ARG 73 5.168 -10.267 8.805 560 HG3 ARG 73 HG3 ARG 73 3.536 -9.972 8.190 561 HD2 ARG 73 HD2 ARG 73 4.799 -12.580 9.041 562 HD3 ARG 73 HD3 ARG 73 3.434 -11.719 9.787 563 HE ARG 73 HE ARG 73 2.775 -12.377 7.088 564 HH11 ARG 73 HH11 ARG 73 3.435 -14.139 10.117 565 HH12 ARG 73 HH12 ARG 73 2.469 -15.508 9.673 566 HH21 ARG 73 HH21 ARG 73 1.607 -14.113 6.505 567 HH22 ARG 73 HH22 ARG 73 1.507 -15.562 7.446 568 H SER 74 HN SER 74 4.958 -8.607 4.408 569 HA SER 74 HA SER 74 6.246 -10.093 2.215 570 HB2 SER 74 HB2 SER 74 4.071 -7.957 2.383 571 HB3 SER 74 HB3 SER 74 4.715 -8.574 0.849 572 HG SER 74 HG SER 74 3.829 -10.484 1.201 573 H ILE 75 HN ILE 75 7.491 -7.707 4.154 574 HA ILE 75 HA ILE 75 8.816 -6.285 1.900 575 HB ILE 75 HB ILE 75 8.173 -5.345 4.680 576 HG12 ILE 75 HG12 ILE 75 7.444 -4.116 1.986 577 HG13 ILE 75 HG13 ILE 75 6.403 -5.234 2.810 578 HG21 ILE 75 HG21 ILE 75 9.302 -3.161 3.837 579 HG22 ILE 75 HG22 ILE 75 10.287 -4.481 4.418 580 HG23 ILE 75 HG23 ILE 75 10.113 -4.212 2.659 581 HD11 ILE 75 HD11 ILE 75 5.615 -3.062 3.367 582 HD12 ILE 75 HD12 ILE 75 6.392 -3.692 4.828 583 HD13 ILE 75 HD13 ILE 75 7.221 -2.487 3.814 584 HA PRO 76 HA PRO 76 11.856 -9.191 3.815 585 HB2 PRO 76 HB2 PRO 76 13.100 -10.032 1.591 586 HB3 PRO 76 HB3 PRO 76 11.384 -10.468 1.833 587 HG2 PRO 76 HG2 PRO 76 12.365 -8.080 0.277 588 HG3 PRO 76 HG3 PRO 76 11.368 -9.457 -0.320 589 HD2 PRO 76 HD2 PRO 76 10.135 -7.254 0.637 590 HD3 PRO 76 HD3 PRO 76 9.537 -8.871 1.107 591 H ALA 77 HN ALA 77 14.375 -9.217 3.441 592 HA ALA 77 HA ALA 77 15.345 -6.706 4.347 593 HB1 ALA 77 HB1 ALA 77 16.890 -9.130 3.368 594 HB2 ALA 77 HB2 ALA 77 17.496 -7.805 4.389 595 HB3 ALA 77 HB3 ALA 77 16.255 -8.898 5.009 596 HA PRO 78 HA PRO 78 17.323 -6.006 0.050 597 HB2 PRO 78 HB2 PRO 78 16.153 -7.115 -2.199 598 HB3 PRO 78 HB3 PRO 78 17.478 -7.875 -1.285 599 HG2 PRO 78 HG2 PRO 78 14.501 -8.377 -0.989 600 HG3 PRO 78 HG3 PRO 78 15.801 -9.597 -1.168 601 HD2 PRO 78 HD2 PRO 78 14.898 -9.058 1.217 602 HD3 PRO 78 HD3 PRO 78 16.654 -9.185 0.988 603 H TYR 79 HN TYR 79 13.894 -5.909 0.789 604 HA TYR 79 HA TYR 79 13.458 -3.938 -1.424 605 HB2 TYR 79 HB2 TYR 79 11.583 -5.799 -0.046 606 HB3 TYR 79 HB3 TYR 79 11.085 -4.599 -1.204 607 HD1 TYR 79 HD2 TYR 79 13.795 -5.153 -2.950 608 HD2 TYR 79 HD1 TYR 79 10.483 -7.502 -1.500 609 HE1 TYR 79 HE2 TYR 79 13.955 -6.481 -4.874 610 HE2 TYR 79 HE1 TYR 79 10.624 -8.925 -3.536 611 HH TYR 79 HH TYR 79 13.033 -8.437 -6.100 612 H LYS 80 HN LYS 80 14.252 -3.708 1.621 613 HA LYS 80 HA LYS 80 12.094 -2.471 3.026 614 HB2 LYS 80 HB2 LYS 80 15.075 -1.909 3.384 615 HB3 LYS 80 HB3 LYS 80 13.802 -1.497 4.533 616 HG2 LYS 80 HG2 LYS 80 14.715 -4.288 3.752 617 HG3 LYS 80 HG3 LYS 80 15.001 -3.453 5.265 618 HD2 LYS 80 HD2 LYS 80 12.411 -3.412 5.509 619 HD3 LYS 80 HD3 LYS 80 12.423 -4.546 4.152 620 HE2 LYS 80 HE2 LYS 80 12.243 -5.849 6.133 621 HE3 LYS 80 HE3 LYS 80 13.853 -6.101 5.482 622 HZ1 LYS 80 HZ1 LYS 80 13.263 -4.233 7.700 623 HZ2 LYS 80 HZ2 LYS 80 14.759 -4.661 7.126 624 HZ3 LYS 80 HZ3 LYS 80 13.835 -5.775 7.886 625 H GLN 81 HN GLN 81 14.612 -0.938 0.971 626 HA GLN 81 HA GLN 81 13.522 1.729 1.743 627 HB2 GLN 81 HB2 GLN 81 16.293 0.926 0.740 628 HB3 GLN 81 HB3 GLN 81 15.766 2.552 1.169 629 HG2 GLN 81 HG2 GLN 81 15.219 1.562 3.502 630 HG3 GLN 81 HG3 GLN 81 16.263 0.222 2.983 631 HE21 GLN 81 HE21 GLN 81 18.609 0.802 2.430 632 HE22 GLN 81 HE22 GLN 81 19.226 2.407 2.706 633 H LEU 82 HN LEU 82 12.429 0.097 -0.547 634 HA LEU 82 HA LEU 82 13.660 0.959 -3.004 635 HB2 LEU 82 HB2 LEU 82 10.883 -0.084 -2.463 636 HB3 LEU 82 HB3 LEU 82 11.632 0.068 -4.071 637 HG LEU 82 HG LEU 82 12.629 -1.719 -1.825 638 HD11 LEU 82 HD11 LEU 82 10.485 -2.505 -2.655 639 HD12 LEU 82 HD12 LEU 82 11.765 -3.577 -3.220 640 HD13 LEU 82 HD13 LEU 82 11.068 -2.400 -4.338 641 HD21 LEU 82 HD21 LEU 82 14.476 -1.139 -3.276 642 HD22 LEU 82 HD22 LEU 82 13.532 -1.560 -4.710 643 HD23 LEU 82 HD23 LEU 82 13.984 -2.830 -3.514 644 H LEU 83 HN LEU 83 11.197 2.418 -0.965 645 HA LEU 83 HA LEU 83 10.371 4.557 -2.653 646 HB2 LEU 83 HB2 LEU 83 10.667 4.136 0.330 647 HB3 LEU 83 HB3 LEU 83 10.425 5.770 -0.236 648 HG LEU 83 HG LEU 83 8.521 3.473 -0.833 649 HD11 LEU 83 HD11 LEU 83 8.570 4.117 1.556 650 HD12 LEU 83 HD12 LEU 83 7.049 4.597 0.795 651 HD13 LEU 83 HD13 LEU 83 8.305 5.818 1.110 652 HD21 LEU 83 HD21 LEU 83 6.974 5.376 -1.475 653 HD22 LEU 83 HD22 LEU 83 8.326 5.163 -2.580 654 HD23 LEU 83 HD23 LEU 83 8.370 6.473 -1.380 655 H LYS 84 HN LYS 84 13.541 3.905 -1.580 656 HA LYS 84 HA LYS 84 14.410 6.602 -2.447 657 HB2 LYS 84 HB2 LYS 84 15.100 6.633 -0.298 658 HB3 LYS 84 HB3 LYS 84 15.437 4.899 -0.200 659 HG2 LYS 84 HG2 LYS 84 17.495 5.088 -1.295 660 HG3 LYS 84 HG3 LYS 84 17.078 6.640 -2.040 661 HD2 LYS 84 HD2 LYS 84 17.149 7.723 0.194 662 HD3 LYS 84 HD3 LYS 84 17.680 6.184 0.905 663 HE2 LYS 84 HE2 LYS 84 19.716 6.222 -0.434 664 HE3 LYS 84 HE3 LYS 84 19.134 7.592 -1.389 665 HZ1 LYS 84 HZ1 LYS 84 19.619 7.740 1.509 666 HZ2 LYS 84 HZ2 LYS 84 19.342 9.005 0.485 667 HZ3 LYS 84 HZ3 LYS 84 20.746 8.158 0.372 668 H GLU 85 HN GLU 85 15.139 3.065 -2.440 669 HA GLU 85 HA GLU 85 17.258 3.335 -4.280 670 HB2 GLU 85 HB2 GLU 85 15.584 0.833 -3.933 671 HB3 GLU 85 HB3 GLU 85 17.226 0.982 -4.521 672 HG2 GLU 85 HG2 GLU 85 17.706 2.000 -2.125 673 HG3 GLU 85 HG3 GLU 85 16.242 1.093 -1.697 674 H GLU 86 HN GLU 86 13.755 3.508 -5.124 675 HA GLU 86 HA GLU 86 14.578 3.143 -7.955 676 HB2 GLU 86 HB2 GLU 86 11.865 2.888 -6.624 677 HB3 GLU 86 HB3 GLU 86 12.226 2.587 -8.318 678 HG2 GLU 86 HG2 GLU 86 13.522 0.926 -6.102 679 HG3 GLU 86 HG3 GLU 86 11.884 0.674 -6.583 680 H LEU 87 HN LEU 87 12.333 4.725 -5.700 681 HA LEU 87 HA LEU 87 11.875 6.990 -7.362 682 HB2 LEU 87 HB2 LEU 87 11.083 6.211 -4.519 683 HB3 LEU 87 HB3 LEU 87 10.788 7.846 -5.113 684 HG LEU 87 HG LEU 87 9.819 6.643 -7.191 685 HD11 LEU 87 HD11 LEU 87 10.321 4.449 -6.867 686 HD12 LEU 87 HD12 LEU 87 8.589 4.618 -6.715 687 HD13 LEU 87 HD13 LEU 87 9.589 4.414 -5.230 688 HD21 LEU 87 HD21 LEU 87 8.203 6.471 -4.589 689 HD22 LEU 87 HD22 LEU 87 7.566 6.738 -6.230 690 HD23 LEU 87 HD23 LEU 87 8.500 7.998 -5.433 691 H GLY 88 HN GLY 88 13.360 6.924 -4.128 692 HA2 GLY 88 HA2 GLY 88 15.408 8.140 -3.652 693 HA3 GLY 88 HA1 GLY 88 15.000 9.311 -4.887 694 H PHE 89 HN PHE 89 12.398 8.289 -2.691 695 HA PHE 89 HA PHE 89 12.261 11.027 -1.651 696 HB2 PHE 89 HB2 PHE 89 10.172 10.276 -2.401 697 HB3 PHE 89 HB3 PHE 89 10.441 8.633 -1.872 698 HD1 PHE 89 HD2 PHE 89 9.543 12.049 -0.653 699 HD2 PHE 89 HD1 PHE 89 9.773 7.842 0.250 700 HE1 PHE 89 HE2 PHE 89 8.295 12.427 1.453 701 HE2 PHE 89 HE1 PHE 89 8.528 8.210 2.337 702 HZ PHE 89 HZ PHE 89 7.777 10.509 2.953 703 H ALA 90 HN ALA 90 12.969 7.982 -0.498 704 HA ALA 90 HA ALA 90 13.724 7.009 1.443 705 HB1 ALA 90 HB1 ALA 90 14.850 8.389 3.142 706 HB2 ALA 90 HB2 ALA 90 15.512 8.657 1.493 707 HB3 ALA 90 HB3 ALA 90 14.403 9.843 2.244 708 H GLY 91 HN GLY 91 12.615 10.092 2.903 709 HA2 GLY 91 HA2 GLY 91 10.235 9.016 3.604 710 HA3 GLY 91 HA1 GLY 91 11.213 8.970 5.077 711 H TYR 92 HN TYR 92 9.433 10.466 5.826 712 HA TYR 92 HA TYR 92 9.335 13.147 4.716 713 HB2 TYR 92 HB2 TYR 92 8.127 11.978 7.226 714 HB3 TYR 92 HB3 TYR 92 7.832 13.610 6.623 715 HD1 TYR 92 HD1 TYR 92 6.940 13.909 4.215 716 HD2 TYR 92 HD2 TYR 92 6.951 10.108 6.274 717 HE1 TYR 92 HE1 TYR 92 5.310 13.041 2.585 718 HE2 TYR 92 HE2 TYR 92 5.259 9.272 4.727 719 HH TYR 92 HH TYR 92 3.664 9.935 3.129 720 H SER 93 HN SER 93 10.273 14.953 5.348 721 HA SER 93 HA SER 93 12.286 15.152 7.389 722 HB2 SER 93 HB2 SER 93 10.621 17.155 5.835 723 HB3 SER 93 HB3 SER 93 11.930 17.619 6.926 724 HG SER 93 HG SER 93 13.388 16.502 5.673 725 H ILE 94 HN ILE 94 12.012 16.801 9.064 726 HA ILE 94 HA ILE 94 10.250 15.799 11.032 727 HB ILE 94 HB ILE 94 12.463 16.506 11.553 728 HG12 ILE 94 HG12 ILE 94 12.077 18.001 13.485 729 HG13 ILE 94 HG13 ILE 94 10.473 18.384 12.905 730 HG21 ILE 94 HG21 ILE 94 13.329 18.687 11.340 731 HG22 ILE 94 HG22 ILE 94 12.545 18.399 9.784 732 HG23 ILE 94 HG23 ILE 94 11.742 19.397 10.989 733 HD11 ILE 94 HD11 ILE 94 11.412 15.584 13.677 734 HD12 ILE 94 HD12 ILE 94 10.447 16.668 14.695 735 HD13 ILE 94 HD13 ILE 94 9.755 16.028 13.195 736 H ASN 95 HN ASN 95 10.332 18.803 9.281 737 HA ASN 95 HA ASN 95 8.284 20.247 10.562 738 HB2 ASN 95 HB2 ASN 95 8.391 21.607 8.480 739 HB3 ASN 95 HB3 ASN 95 9.981 21.292 9.166 740 HD21 ASN 95 HD21 ASN 95 9.690 22.067 6.390 741 HD22 ASN 95 HD22 ASN 95 10.242 20.617 5.522 742 H GLU 96 HN GLU 96 8.159 17.638 8.258 743 HA GLU 96 HA GLU 96 5.293 18.170 7.631 744 HB2 GLU 96 HB2 GLU 96 7.507 16.776 6.067 745 HB3 GLU 96 HB3 GLU 96 5.797 16.725 5.615 746 HG2 GLU 96 HG2 GLU 96 5.798 19.272 5.674 747 HG3 GLU 96 HG3 GLU 96 7.556 19.190 5.782 748 H LEU 97 HN LEU 97 6.836 16.402 9.870 749 HA LEU 97 HA LEU 97 6.060 13.818 9.143 750 HB2 LEU 97 HB2 LEU 97 7.873 15.094 10.928 751 HB3 LEU 97 HB3 LEU 97 6.877 14.189 12.016 752 HG LEU 97 HG LEU 97 8.607 13.259 9.704 753 HD11 LEU 97 HD11 LEU 97 9.659 13.753 11.909 754 HD12 LEU 97 HD12 LEU 97 9.823 12.043 11.464 755 HD13 LEU 97 HD13 LEU 97 8.602 12.545 12.659 756 HD21 LEU 97 HD21 LEU 97 7.850 10.857 10.634 757 HD22 LEU 97 HD22 LEU 97 6.951 11.709 9.361 758 HD23 LEU 97 HD23 LEU 97 6.400 11.735 11.063 759 H VAL 98 HN VAL 98 3.765 15.046 9.106 760 HA VAL 98 HA VAL 98 2.118 14.655 11.432 761 HB VAL 98 HB VAL 98 0.286 15.245 9.909 762 HG11 VAL 98 HG11 VAL 98 1.051 17.376 9.176 763 HG12 VAL 98 HG12 VAL 98 1.848 16.994 10.727 764 HG13 VAL 98 HG13 VAL 98 2.761 16.843 9.183 765 HG21 VAL 98 HG21 VAL 98 0.796 14.070 7.862 766 HG22 VAL 98 HG22 VAL 98 0.781 15.784 7.489 767 HG23 VAL 98 HG23 VAL 98 2.340 14.944 7.688 768 HA PRO 99 HA PRO 99 1.133 10.387 10.879 769 HB2 PRO 99 HB2 PRO 99 -1.461 10.170 11.707 770 HB3 PRO 99 HB3 PRO 99 -0.069 10.456 12.797 771 HG2 PRO 99 HG2 PRO 99 -1.950 12.542 11.646 772 HG3 PRO 99 HG3 PRO 99 -1.457 12.297 13.353 773 HD2 PRO 99 HD2 PRO 99 -0.196 14.121 11.807 774 HD3 PRO 99 HD3 PRO 99 0.730 13.088 12.938 775 H ARG 100 HN ARG 100 -0.683 12.893 9.075 776 HA ARG 100 HA ARG 100 -2.112 10.768 7.557 777 HB2 ARG 100 HB2 ARG 100 -1.964 13.774 7.127 778 HB3 ARG 100 HB3 ARG 100 -2.771 12.652 6.023 779 HG2 ARG 100 HG2 ARG 100 -4.182 11.797 7.836 780 HG3 ARG 100 HG3 ARG 100 -3.470 12.948 8.977 781 HD2 ARG 100 HD2 ARG 100 -4.441 14.821 7.799 782 HD3 ARG 100 HD3 ARG 100 -4.916 13.798 6.443 783 HE ARG 100 HE ARG 100 -6.015 13.300 9.174 784 HH11 ARG 100 HH11 ARG 100 -6.714 13.645 5.755 785 HH12 ARG 100 HH12 ARG 100 -8.424 13.860 5.943 786 HH21 ARG 100 HH21 ARG 100 -8.212 12.959 9.382 787 HH22 ARG 100 HH22 ARG 100 -9.292 13.117 8.020 788 H LYS 101 HN LYS 101 0.969 12.433 7.348 789 HA LYS 101 HA LYS 101 1.411 11.685 4.555 790 HB2 LYS 101 HB2 LYS 101 3.014 13.110 6.712 791 HB3 LYS 101 HB3 LYS 101 3.804 12.492 5.284 792 HG2 LYS 101 HG2 LYS 101 2.247 13.702 3.811 793 HG3 LYS 101 HG3 LYS 101 1.445 14.409 5.223 794 HD2 LYS 101 HD2 LYS 101 3.241 15.827 5.698 795 HD3 LYS 101 HD3 LYS 101 4.427 14.733 4.987 796 HE2 LYS 101 HE2 LYS 101 4.277 16.660 3.618 797 HE3 LYS 101 HE3 LYS 101 3.616 15.283 2.723 798 HZ1 LYS 101 HZ1 LYS 101 2.120 17.477 4.012 799 HZ2 LYS 101 HZ2 LYS 101 1.386 16.139 3.398 800 HZ3 LYS 101 HZ3 LYS 101 2.236 17.140 2.398 801 H THR 102 HN THR 102 2.766 10.710 7.794 802 HA THR 102 HA THR 102 4.623 8.865 6.861 803 HB THR 102 HB THR 102 4.249 7.773 9.129 804 HG1 THR 102 HG1 THR 102 2.917 9.149 10.497 805 HG21 THR 102 HG21 THR 102 5.069 9.690 10.408 806 HG22 THR 102 HG22 THR 102 4.528 10.818 9.142 807 HG23 THR 102 HG23 THR 102 5.831 9.655 8.809 808 H ARG 103 HN ARG 103 1.267 8.253 7.821 809 HA ARG 103 HA ARG 103 1.146 5.545 7.161 810 HB2 ARG 103 HB2 ARG 103 -1.001 7.688 7.257 811 HB3 ARG 103 HB3 ARG 103 -1.359 5.960 7.108 812 HG2 ARG 103 HG2 ARG 103 -0.214 5.497 9.224 813 HG3 ARG 103 HG3 ARG 103 0.344 7.152 9.361 814 HD2 ARG 103 HD2 ARG 103 -1.429 7.703 10.524 815 HD3 ARG 103 HD3 ARG 103 -2.475 7.353 9.143 816 HE ARG 103 HE ARG 103 -2.319 4.936 9.933 817 HH11 ARG 103 HH11 ARG 103 -2.829 7.780 11.963 818 HH12 ARG 103 HH12 ARG 103 -3.792 6.902 13.096 819 HH21 ARG 103 HH21 ARG 103 -3.269 3.795 11.654 820 HH22 ARG 103 HH22 ARG 103 -3.746 4.566 13.151 821 H ARG 104 HN ARG 104 0.450 8.306 4.909 822 HA ARG 104 HA ARG 104 -0.207 6.678 2.671 823 HB2 ARG 104 HB2 ARG 104 1.102 9.431 2.787 824 HB3 ARG 104 HB3 ARG 104 0.878 8.555 1.290 825 HG2 ARG 104 HG2 ARG 104 -1.634 8.359 2.059 826 HG3 ARG 104 HG3 ARG 104 -1.239 9.751 3.059 827 HD2 ARG 104 HD2 ARG 104 -0.971 9.540 0.019 828 HD3 ARG 104 HD3 ARG 104 -2.251 10.380 0.895 829 HE ARG 104 HE ARG 104 0.399 11.388 1.542 830 HH11 ARG 104 HH11 ARG 104 -2.141 11.644 -0.981 831 HH12 ARG 104 HH12 ARG 104 -1.765 13.262 -1.365 832 HH21 ARG 104 HH21 ARG 104 1.010 13.439 0.848 833 HH22 ARG 104 HH22 ARG 104 0.000 14.377 -0.230 834 H ALA 105 HN ALA 105 3.068 7.633 3.890 835 HA ALA 105 HA ALA 105 4.335 6.355 1.616 836 HB1 ALA 105 HB1 ALA 105 5.542 8.087 2.810 837 HB2 ALA 105 HB2 ALA 105 5.550 7.081 4.302 838 HB3 ALA 105 HB3 ALA 105 6.433 6.563 2.860 839 H THR 106 HN THR 106 3.331 5.166 4.862 840 HA THR 106 HA THR 106 4.874 2.852 4.913 841 HB THR 106 HB THR 106 1.986 2.974 5.859 842 HG1 THR 106 HG1 THR 106 4.266 4.262 6.860 843 HG21 THR 106 HG21 THR 106 4.447 1.530 6.926 844 HG22 THR 106 HG22 THR 106 3.051 0.779 6.121 845 HG23 THR 106 HG23 THR 106 2.854 1.540 7.702 846 H MET 107 HN MET 107 1.635 3.297 3.333 847 HA MET 107 HA MET 107 1.577 0.528 2.491 848 HB2 MET 107 HB2 MET 107 -0.360 1.038 1.313 849 HB3 MET 107 HB3 MET 107 -0.459 1.706 2.927 850 HG2 MET 107 HG2 MET 107 0.587 3.731 1.133 851 HG3 MET 107 HG3 MET 107 -0.840 3.037 0.432 852 HE1 MET 107 HE1 MET 107 -3.184 3.680 1.076 853 HE2 MET 107 HE2 MET 107 -2.948 2.499 2.374 854 HE3 MET 107 HE3 MET 107 -3.689 4.080 2.733 855 H THR 108 HN THR 108 2.485 3.618 0.830 856 HA THR 108 HA THR 108 3.022 2.503 -1.655 857 HB THR 108 HB THR 108 4.484 4.824 -0.329 858 HG1 THR 108 HG1 THR 108 2.603 5.804 -0.341 859 HG21 THR 108 HG21 THR 108 5.277 4.170 -2.646 860 HG22 THR 108 HG22 THR 108 4.521 5.777 -2.597 861 HG23 THR 108 HG23 THR 108 3.613 4.394 -3.225 862 H ASN 109 HN ASN 109 5.121 2.552 1.236 863 HA ASN 109 HA ASN 109 7.484 1.589 0.107 864 HB2 ASN 109 HB2 ASN 109 6.782 2.262 2.593 865 HB3 ASN 109 HB3 ASN 109 6.410 0.560 2.778 866 HD21 ASN 109 HD21 ASN 109 8.545 -1.015 2.122 867 HD22 ASN 109 HD22 ASN 109 9.995 -0.285 2.748 868 H TRP 110 HN TRP 110 4.560 -0.259 0.981 869 HA TRP 110 HA TRP 110 5.745 -2.850 0.391 870 HB2 TRP 110 HB2 TRP 110 3.943 -2.719 1.964 871 HB3 TRP 110 HB3 TRP 110 2.906 -1.880 0.829 872 HD1 TRP 110 HD1 TRP 110 4.288 -5.399 1.506 873 HE1 TRP 110 HE1 TRP 110 2.780 -7.119 0.324 874 HE3 TRP 110 HE3 TRP 110 1.220 -2.197 -1.053 875 HZ2 TRP 110 HZ2 TRP 110 0.462 -7.111 -1.384 876 HZ3 TRP 110 HZ3 TRP 110 -0.657 -3.086 -2.430 877 HH2 TRP 110 HH2 TRP 110 -1.026 -5.522 -2.612 878 H LEU 111 HN LEU 111 3.757 -0.446 -1.443 879 HA LEU 111 HA LEU 111 3.081 -2.175 -3.574 880 HB2 LEU 111 HB2 LEU 111 3.585 0.825 -3.591 881 HB3 LEU 111 HB3 LEU 111 2.988 -0.071 -4.986 882 HG LEU 111 HG LEU 111 1.510 0.061 -2.332 883 HD11 LEU 111 HD11 LEU 111 1.630 2.299 -3.409 884 HD12 LEU 111 HD12 LEU 111 -0.008 1.633 -3.485 885 HD13 LEU 111 HD13 LEU 111 1.031 1.603 -4.923 886 HD21 LEU 111 HD21 LEU 111 -0.401 -0.773 -3.690 887 HD22 LEU 111 HD22 LEU 111 0.941 -1.930 -3.711 888 HD23 LEU 111 HD23 LEU 111 0.666 -0.888 -5.107 889 H LEU 112 HN LEU 112 6.103 -0.304 -3.088 890 HA LEU 112 HA LEU 112 7.365 -1.049 -5.527 891 HB2 LEU 112 HB2 LEU 112 8.487 -0.562 -2.725 892 HB3 LEU 112 HB3 LEU 112 9.453 -0.896 -4.143 893 HG LEU 112 HG LEU 112 9.619 1.374 -3.743 894 HD11 LEU 112 HD11 LEU 112 7.853 0.922 -6.169 895 HD12 LEU 112 HD12 LEU 112 9.616 0.828 -6.048 896 HD13 LEU 112 HD13 LEU 112 8.818 2.363 -5.867 897 HD21 LEU 112 HD21 LEU 112 7.873 2.974 -3.649 898 HD22 LEU 112 HD22 LEU 112 7.734 1.754 -2.374 899 HD23 LEU 112 HD23 LEU 112 6.648 1.699 -3.806 900 H ALA 113 HN ALA 113 7.540 -2.692 -2.329 901 HA ALA 113 HA ALA 113 9.152 -4.867 -3.243 902 HB1 ALA 113 HB1 ALA 113 7.139 -4.827 -0.948 903 HB2 ALA 113 HB2 ALA 113 8.441 -6.006 -1.172 904 HB3 ALA 113 HB3 ALA 113 8.842 -4.316 -0.854 905 H TYR 114 HN TYR 114 5.670 -4.354 -3.345 906 HA TYR 114 HA TYR 114 4.893 -6.967 -4.082 907 HB2 TYR 114 HB2 TYR 114 3.358 -5.219 -3.229 908 HB3 TYR 114 HB3 TYR 114 3.533 -4.326 -4.734 909 HD1 TYR 114 HD2 TYR 114 2.801 -7.845 -3.591 910 HD2 TYR 114 HD1 TYR 114 1.932 -4.708 -6.442 911 HE1 TYR 114 HE2 TYR 114 1.170 -9.309 -4.735 912 HE2 TYR 114 HE1 TYR 114 0.234 -6.148 -7.499 913 HH TYR 114 HH TYR 114 -0.759 -8.215 -7.493 914 H ARG 115 HN ARG 115 5.408 -4.045 -6.295 915 HA ARG 115 HA ARG 115 5.086 -5.667 -8.600 916 HB2 ARG 115 HB2 ARG 115 6.247 -3.910 -9.854 917 HB3 ARG 115 HB3 ARG 115 4.908 -3.307 -8.883 918 HG2 ARG 115 HG2 ARG 115 6.345 -2.223 -7.356 919 HG3 ARG 115 HG3 ARG 115 7.761 -3.133 -7.873 920 HD2 ARG 115 HD2 ARG 115 6.641 -1.613 -10.115 921 HD3 ARG 115 HD3 ARG 115 6.964 -0.581 -8.739 922 HE ARG 115 HE ARG 115 9.200 -1.124 -8.718 923 HH11 ARG 115 HH11 ARG 115 7.704 -2.695 -11.560 924 HH12 ARG 115 HH12 ARG 115 9.186 -3.035 -12.331 925 HH21 ARG 115 HH21 ARG 115 11.211 -1.389 -9.823 926 HH22 ARG 115 HH22 ARG 115 11.223 -2.337 -11.266 927 H ARG 116 HN ARG 116 7.943 -5.131 -6.591 928 HA ARG 116 HA ARG 116 9.865 -6.069 -8.374 929 HB2 ARG 116 HB2 ARG 116 9.680 -6.203 -5.330 930 HB3 ARG 116 HB3 ARG 116 11.075 -6.757 -6.248 931 HG2 ARG 116 HG2 ARG 116 10.091 -3.899 -6.299 932 HG3 ARG 116 HG3 ARG 116 11.433 -4.547 -5.351 933 HD2 ARG 116 HD2 ARG 116 12.261 -5.462 -7.673 934 HD3 ARG 116 HD3 ARG 116 11.184 -4.226 -8.340 935 HE ARG 116 HE ARG 116 12.719 -2.878 -6.470 936 HH11 ARG 116 HH11 ARG 116 13.016 -4.220 -9.746 937 HH12 ARG 116 HH12 ARG 116 14.707 -4.059 -9.826 938 HH21 ARG 116 HH21 ARG 116 14.974 -2.072 -6.914 939 HH22 ARG 116 HH22 ARG 116 15.598 -2.482 -8.426 940 H SER 117 HN SER 117 7.439 -7.829 -6.569 941 HA SER 117 HA SER 117 8.745 -10.405 -6.796 942 HB2 SER 117 HB2 SER 117 5.889 -9.555 -6.124 943 HB3 SER 117 HB3 SER 117 6.622 -11.167 -5.819 944 HG SER 117 HG SER 117 7.213 -8.659 -4.644 945 H GLN 118 HN GLN 118 7.026 -8.430 -9.117 946 HA GLN 118 HA GLN 118 5.942 -10.791 -10.588 947 HB2 GLN 118 HB2 GLN 118 5.199 -7.859 -10.636 948 HB3 GLN 118 HB3 GLN 118 4.464 -9.099 -11.619 949 HG2 GLN 118 HG2 GLN 118 3.418 -10.181 -9.701 950 HG3 GLN 118 HG3 GLN 118 4.306 -9.112 -8.580 951 HE21 GLN 118 HE21 GLN 118 2.225 -8.575 -11.582 952 HE22 GLN 118 HE22 GLN 118 1.437 -7.185 -10.883 953 H GLN 119 HN GLN 119 8.297 -8.319 -10.790 954 HA GLN 119 HA GLN 119 9.401 -7.166 -12.273 955 HB2 GLN 119 HB2 GLN 119 9.720 -10.199 -12.718 956 HB3 GLN 119 HB3 GLN 119 10.734 -8.931 -13.538 957 HG2 GLN 119 HG2 GLN 119 10.564 -9.440 -10.543 958 HG3 GLN 119 HG3 GLN 119 11.952 -9.743 -11.581 959 HE21 GLN 119 HE21 GLN 119 10.681 -7.607 -9.470 960 HE22 GLN 119 HE22 GLN 119 11.284 -6.033 -10.039 961 H ASP 120 HN ASP 120 7.107 -6.663 -12.899 962 HA ASP 120 HA ASP 120 5.975 -8.083 -14.915 963 HB2 ASP 120 HB2 ASP 120 4.643 -7.052 -13.282 964 HB3 ASP 120 HB3 ASP 120 5.256 -5.464 -13.620 Start of MODEL 15 1 H1 MET 1 HN MET 1 -4.215 -12.605 -9.939 2 HA MET 1 HA MET 1 -5.023 -10.333 -10.482 3 HB2 MET 1 HB2 MET 1 -6.253 -10.219 -8.260 4 HB3 MET 1 HB3 MET 1 -4.714 -9.838 -7.494 5 HG2 MET 1 HG2 MET 1 -6.190 -7.892 -8.006 6 HG3 MET 1 HG3 MET 1 -4.546 -7.753 -8.608 7 HE1 MET 1 HE1 MET 1 -8.014 -6.433 -10.416 8 HE2 MET 1 HE2 MET 1 -6.935 -6.075 -9.058 9 HE3 MET 1 HE3 MET 1 -6.507 -5.545 -10.685 10 H GLY 2 HN GLY 2 -3.409 -8.728 -10.946 11 HA2 GLY 2 HA2 GLY 2 -0.821 -8.720 -9.664 12 HA3 GLY 2 HA1 GLY 2 -0.816 -9.616 -11.190 13 H ILE 3 HN ILE 3 -1.840 -6.538 -9.751 14 HA ILE 3 HA ILE 3 -2.152 -5.122 -12.274 15 HB ILE 3 HB ILE 3 -1.908 -4.151 -9.407 16 HG12 ILE 3 HG12 ILE 3 -4.412 -4.769 -11.003 17 HG13 ILE 3 HG13 ILE 3 -3.776 -5.730 -9.675 18 HG21 ILE 3 HG21 ILE 3 -3.119 -2.658 -11.748 19 HG22 ILE 3 HG22 ILE 3 -3.018 -2.092 -10.071 20 HG23 ILE 3 HG23 ILE 3 -1.560 -2.269 -10.959 21 HD11 ILE 3 HD11 ILE 3 -5.503 -4.437 -8.711 22 HD12 ILE 3 HD12 ILE 3 -4.011 -3.646 -8.201 23 HD13 ILE 3 HD13 ILE 3 -4.986 -2.964 -9.493 24 H THR 4 HN THR 4 -0.774 -3.153 -12.753 25 HA THR 4 HA THR 4 2.114 -3.592 -12.160 26 HB THR 4 HB THR 4 0.686 -2.310 -14.499 27 HG1 THR 4 HG1 THR 4 1.324 -4.058 -15.461 28 HG21 THR 4 HG21 THR 4 2.854 -1.611 -15.398 29 HG22 THR 4 HG22 THR 4 3.685 -2.176 -13.923 30 HG23 THR 4 HG23 THR 4 2.558 -0.800 -13.885 31 H ILE 5 HN ILE 5 2.863 -2.293 -10.601 32 HA ILE 5 HA ILE 5 1.621 0.281 -9.911 33 HB ILE 5 HB ILE 5 4.282 -0.973 -9.112 34 HG12 ILE 5 HG12 ILE 5 2.524 -2.329 -8.248 35 HG13 ILE 5 HG13 ILE 5 3.244 -1.443 -6.925 36 HG21 ILE 5 HG21 ILE 5 4.244 0.645 -7.203 37 HG22 ILE 5 HG22 ILE 5 4.502 1.387 -8.775 38 HG23 ILE 5 HG23 ILE 5 2.906 1.503 -8.003 39 HD11 ILE 5 HD11 ILE 5 0.567 -0.826 -8.254 40 HD12 ILE 5 HD12 ILE 5 0.834 -1.549 -6.661 41 HD13 ILE 5 HD13 ILE 5 1.306 0.147 -6.966 42 H THR 6 HN THR 6 2.595 2.285 -10.439 43 HA THR 6 HA THR 6 4.802 2.319 -12.394 44 HB THR 6 HB THR 6 3.485 4.407 -13.291 45 HG1 THR 6 HG1 THR 6 1.402 2.797 -12.244 46 HG21 THR 6 HG21 THR 6 3.897 2.284 -14.512 47 HG22 THR 6 HG22 THR 6 2.320 3.015 -14.894 48 HG23 THR 6 HG23 THR 6 2.420 1.607 -13.787 49 H ASP 7 HN ASP 7 6.151 4.091 -12.200 50 HA ASP 7 HA ASP 7 6.622 5.078 -9.587 51 HB2 ASP 7 HB2 ASP 7 7.517 5.963 -12.364 52 HB3 ASP 7 HB3 ASP 7 8.065 6.773 -10.878 53 H GLU 8 HN GLU 8 4.833 6.378 -12.362 54 HA GLU 8 HA GLU 8 4.725 9.102 -11.441 55 HB2 GLU 8 HB2 GLU 8 2.897 7.538 -13.330 56 HB3 GLU 8 HB3 GLU 8 2.978 9.276 -13.201 57 HG2 GLU 8 HG2 GLU 8 5.435 9.153 -13.824 58 HG3 GLU 8 HG3 GLU 8 5.183 7.433 -14.168 59 H LEU 9 HN LEU 9 2.576 6.281 -10.978 60 HA LEU 9 HA LEU 9 0.374 7.544 -9.676 61 HB2 LEU 9 HB2 LEU 9 0.197 5.538 -10.992 62 HB3 LEU 9 HB3 LEU 9 1.542 4.789 -10.124 63 HG LEU 9 HG LEU 9 0.259 4.745 -8.100 64 HD11 LEU 9 HD11 LEU 9 -1.423 6.371 -8.194 65 HD12 LEU 9 HD12 LEU 9 -2.353 4.900 -8.492 66 HD13 LEU 9 HD13 LEU 9 -1.913 5.936 -9.850 67 HD21 LEU 9 HD21 LEU 9 -0.888 3.328 -10.534 68 HD22 LEU 9 HD22 LEU 9 -1.263 2.851 -8.878 69 HD23 LEU 9 HD23 LEU 9 0.407 2.762 -9.457 70 H LEU 10 HN LEU 10 3.526 6.177 -8.681 71 HA LEU 10 HA LEU 10 2.830 6.177 -5.859 72 HB2 LEU 10 HB2 LEU 10 5.524 6.018 -7.233 73 HB3 LEU 10 HB3 LEU 10 5.281 5.863 -5.495 74 HG LEU 10 HG LEU 10 3.941 4.000 -7.496 75 HD11 LEU 10 HD11 LEU 10 6.597 3.693 -6.040 76 HD12 LEU 10 HD12 LEU 10 6.349 3.801 -7.792 77 HD13 LEU 10 HD13 LEU 10 5.753 2.402 -6.914 78 HD21 LEU 10 HD21 LEU 10 2.954 4.083 -5.195 79 HD22 LEU 10 HD22 LEU 10 4.537 3.545 -4.559 80 HD23 LEU 10 HD23 LEU 10 3.612 2.524 -5.671 81 H TRP 11 HN TRP 11 4.555 8.264 -8.084 82 HA TRP 11 HA TRP 11 5.481 10.218 -6.248 83 HB2 TRP 11 HB2 TRP 11 5.039 10.198 -9.226 84 HB3 TRP 11 HB3 TRP 11 5.332 11.728 -8.409 85 HD1 TRP 11 HD1 TRP 11 7.242 9.023 -9.956 86 HE1 TRP 11 HE1 TRP 11 9.701 9.051 -9.262 87 HE3 TRP 11 HE3 TRP 11 6.892 12.329 -6.070 88 HZ2 TRP 11 HZ2 TRP 11 11.319 10.366 -7.242 89 HZ3 TRP 11 HZ3 TRP 11 8.893 12.884 -4.726 90 HH2 TRP 11 HH2 TRP 11 11.107 11.931 -5.295 91 H ALA 12 HN ALA 12 2.416 10.136 -8.118 92 HA ALA 12 HA ALA 12 1.222 12.472 -7.301 93 HB1 ALA 12 HB1 ALA 12 0.050 11.019 -8.779 94 HB2 ALA 12 HB2 ALA 12 0.062 9.680 -7.612 95 HB3 ALA 12 HB3 ALA 12 -0.948 11.102 -7.316 96 H ILE 13 HN ILE 13 1.423 9.477 -5.353 97 HA ILE 13 HA ILE 13 -0.104 10.268 -3.092 98 HB ILE 13 HB ILE 13 2.198 8.360 -3.081 99 HG12 ILE 13 HG12 ILE 13 -0.749 7.676 -3.495 100 HG13 ILE 13 HG13 ILE 13 0.286 7.971 -4.889 101 HG21 ILE 13 HG21 ILE 13 1.271 9.160 -0.873 102 HG22 ILE 13 HG22 ILE 13 -0.321 8.646 -1.405 103 HG23 ILE 13 HG23 ILE 13 0.985 7.450 -1.133 104 HD11 ILE 13 HD11 ILE 13 0.745 5.916 -2.782 105 HD12 ILE 13 HD12 ILE 13 0.286 5.666 -4.506 106 HD13 ILE 13 HD13 ILE 13 1.887 6.341 -4.079 107 H LEU 14 HN LEU 14 3.386 10.257 -3.774 108 HA LEU 14 HA LEU 14 4.184 11.200 -1.204 109 HB2 LEU 14 HB2 LEU 14 5.661 11.121 -3.870 110 HB3 LEU 14 HB3 LEU 14 6.444 11.438 -2.324 111 HG LEU 14 HG LEU 14 4.815 8.910 -2.811 112 HD11 LEU 14 HD11 LEU 14 6.637 9.098 -4.497 113 HD12 LEU 14 HD12 LEU 14 6.787 7.725 -3.422 114 HD13 LEU 14 HD13 LEU 14 7.807 9.166 -3.172 115 HD21 LEU 14 HD21 LEU 14 7.039 9.374 -0.803 116 HD22 LEU 14 HD22 LEU 14 5.885 8.035 -0.882 117 HD23 LEU 14 HD23 LEU 14 5.347 9.664 -0.434 118 H LYS 15 HN LYS 15 3.439 12.872 -4.189 119 HA LYS 15 HA LYS 15 4.070 15.491 -3.131 120 HB2 LYS 15 HB2 LYS 15 2.252 14.600 -5.413 121 HB3 LYS 15 HB3 LYS 15 2.619 16.281 -5.005 122 HG2 LYS 15 HG2 LYS 15 4.637 14.171 -5.921 123 HG3 LYS 15 HG3 LYS 15 4.016 15.507 -6.864 124 HD2 LYS 15 HD2 LYS 15 4.976 17.032 -4.971 125 HD3 LYS 15 HD3 LYS 15 5.844 15.558 -4.453 126 HE2 LYS 15 HE2 LYS 15 6.780 15.411 -6.801 127 HE3 LYS 15 HE3 LYS 15 6.055 16.992 -7.125 128 HZ1 LYS 15 HZ1 LYS 15 7.376 17.811 -5.178 129 HZ2 LYS 15 HZ2 LYS 15 8.301 17.288 -6.454 130 HZ3 LYS 15 HZ3 LYS 15 8.105 16.352 -5.103 131 H ASP 16 HN ASP 16 0.753 14.294 -3.878 132 HA ASP 16 HA ASP 16 -0.282 14.656 -1.264 133 HB2 ASP 16 HB2 ASP 16 0.493 17.115 -1.936 134 HB3 ASP 16 HB3 ASP 16 -0.921 17.091 -2.956 135 H GLU 17 HN GLU 17 -0.746 13.772 -4.561 136 HA GLU 17 HA GLU 17 -3.233 15.107 -5.111 137 HB2 GLU 17 HB2 GLU 17 -1.736 14.997 -6.870 138 HB3 GLU 17 HB3 GLU 17 -1.175 13.393 -6.454 139 HG2 GLU 17 HG2 GLU 17 -2.329 13.291 -8.506 140 HG3 GLU 17 HG3 GLU 17 -3.156 12.362 -7.263 141 H LEU 18 HN LEU 18 -2.324 11.935 -3.880 142 HA LEU 18 HA LEU 18 -4.776 10.627 -4.664 143 HB2 LEU 18 HB2 LEU 18 -2.553 10.026 -2.816 144 HB3 LEU 18 HB3 LEU 18 -4.058 9.405 -2.222 145 HG LEU 18 HG LEU 18 -3.060 7.723 -3.477 146 HD11 LEU 18 HD11 LEU 18 -5.573 8.203 -3.542 147 HD12 LEU 18 HD12 LEU 18 -4.939 6.892 -4.522 148 HD13 LEU 18 HD13 LEU 18 -5.322 8.452 -5.272 149 HD21 LEU 18 HD21 LEU 18 -3.255 9.399 -6.018 150 HD22 LEU 18 HD22 LEU 18 -2.532 7.793 -5.860 151 HD23 LEU 18 HD23 LEU 18 -1.752 9.203 -5.110 152 H SER 19 HN SER 19 -6.480 10.051 -3.313 153 HA SER 19 HA SER 19 -7.042 12.062 -1.204 154 HB2 SER 19 HB2 SER 19 -8.806 11.581 -3.128 155 HB3 SER 19 HB3 SER 19 -9.259 10.222 -2.060 156 HG SER 19 HG SER 19 -10.419 11.994 -1.334 157 H ASP 20 HN ASP 20 -8.567 10.906 0.680 158 HA ASP 20 HA ASP 20 -6.590 9.237 1.981 159 HB2 ASP 20 HB2 ASP 20 -8.033 9.237 3.903 160 HB3 ASP 20 HB3 ASP 20 -7.993 10.841 3.232 161 H ALA 21 HN ALA 21 -10.015 8.628 1.053 162 HA ALA 21 HA ALA 21 -9.962 5.838 1.388 163 HB1 ALA 21 HB1 ALA 21 -12.026 7.239 1.284 164 HB2 ALA 21 HB2 ALA 21 -11.724 7.561 -0.431 165 HB3 ALA 21 HB3 ALA 21 -12.085 5.912 0.113 166 H GLU 22 HN GLU 22 -8.915 7.859 -1.248 167 HA GLU 22 HA GLU 22 -8.888 5.752 -3.286 168 HB2 GLU 22 HB2 GLU 22 -7.840 8.604 -3.153 169 HB3 GLU 22 HB3 GLU 22 -7.624 7.560 -4.541 170 HG2 GLU 22 HG2 GLU 22 -10.267 7.225 -4.306 171 HG3 GLU 22 HG3 GLU 22 -10.147 8.766 -3.456 172 H ALA 23 HN ALA 23 -6.459 7.362 -1.122 173 HA ALA 23 HA ALA 23 -4.238 5.918 -2.111 174 HB1 ALA 23 HB1 ALA 23 -4.921 7.329 0.474 175 HB2 ALA 23 HB2 ALA 23 -3.507 6.317 0.408 176 HB3 ALA 23 HB3 ALA 23 -3.631 7.685 -0.723 177 H ASN 24 HN ASN 24 -6.644 5.176 0.245 178 HA ASN 24 HA ASN 24 -5.682 2.560 1.119 179 HB2 ASN 24 HB2 ASN 24 -8.445 3.838 1.160 180 HB3 ASN 24 HB3 ASN 24 -8.221 2.152 1.503 181 HD21 ASN 24 HD21 ASN 24 -9.360 3.772 3.380 182 HD22 ASN 24 HD22 ASN 24 -8.307 3.908 4.767 183 H ALA 25 HN ALA 25 -8.200 3.495 -1.268 184 HA ALA 25 HA ALA 25 -8.819 1.102 -2.347 185 HB1 ALA 25 HB1 ALA 25 -8.440 3.633 -3.987 186 HB2 ALA 25 HB2 ALA 25 -9.431 2.234 -4.415 187 HB3 ALA 25 HB3 ALA 25 -9.877 3.239 -3.020 188 H LEU 26 HN LEU 26 -6.067 3.153 -3.669 189 HA LEU 26 HA LEU 26 -5.322 1.287 -5.635 190 HB2 LEU 26 HB2 LEU 26 -3.691 3.277 -4.023 191 HB3 LEU 26 HB3 LEU 26 -3.079 2.405 -5.428 192 HG LEU 26 HG LEU 26 -5.442 4.316 -5.517 193 HD11 LEU 26 HD11 LEU 26 -2.515 4.642 -6.301 194 HD12 LEU 26 HD12 LEU 26 -3.366 5.479 -5.002 195 HD13 LEU 26 HD13 LEU 26 -3.817 5.806 -6.674 196 HD21 LEU 26 HD21 LEU 26 -5.624 2.679 -7.313 197 HD22 LEU 26 HD22 LEU 26 -3.901 2.864 -7.715 198 HD23 LEU 26 HD23 LEU 26 -5.058 4.198 -7.984 199 H VAL 27 HN VAL 27 -4.658 1.019 -2.159 200 HA VAL 27 HA VAL 27 -2.624 -1.096 -2.644 201 HB VAL 27 HB VAL 27 -3.922 -0.071 -0.080 202 HG11 VAL 27 HG11 VAL 27 -3.184 -2.380 0.263 203 HG12 VAL 27 HG12 VAL 27 -1.615 -2.022 -0.475 204 HG13 VAL 27 HG13 VAL 27 -2.057 -1.279 1.068 205 HG21 VAL 27 HG21 VAL 27 -2.488 1.616 -1.093 206 HG22 VAL 27 HG22 VAL 27 -1.683 0.890 0.302 207 HG23 VAL 27 HG23 VAL 27 -1.183 0.417 -1.330 208 H TRP 28 HN TRP 28 -6.044 -0.669 -1.671 209 HA TRP 28 HA TRP 28 -6.554 -3.375 -1.035 210 HB2 TRP 28 HB2 TRP 28 -8.395 -1.152 -1.957 211 HB3 TRP 28 HB3 TRP 28 -8.923 -2.676 -1.289 212 HD1 TRP 28 HD1 TRP 28 -6.080 -2.001 0.806 213 HE1 TRP 28 HE1 TRP 28 -6.744 -0.843 3.019 214 HE3 TRP 28 HE3 TRP 28 -10.786 -0.398 -0.442 215 HZ2 TRP 28 HZ2 TRP 28 -8.982 0.473 4.103 216 HZ3 TRP 28 HZ3 TRP 28 -12.142 0.840 1.214 217 HH2 TRP 28 HH2 TRP 28 -11.255 1.275 3.506 218 H GLN 29 HN GLN 29 -6.962 -1.620 -4.172 219 HA GLN 29 HA GLN 29 -7.927 -3.796 -5.648 220 HB2 GLN 29 HB2 GLN 29 -6.913 -2.655 -7.647 221 HB3 GLN 29 HB3 GLN 29 -7.953 -1.648 -6.649 222 HG2 GLN 29 HG2 GLN 29 -6.187 -0.458 -5.882 223 HG3 GLN 29 HG3 GLN 29 -4.954 -1.638 -6.284 224 HE21 GLN 29 HE21 GLN 29 -7.510 -0.217 -8.467 225 HE22 GLN 29 HE22 GLN 29 -6.343 0.519 -9.506 226 H ALA 30 HN ALA 30 -4.553 -2.978 -4.852 227 HA ALA 30 HA ALA 30 -3.366 -4.959 -6.557 228 HB1 ALA 30 HB1 ALA 30 -1.272 -4.303 -5.430 229 HB2 ALA 30 HB2 ALA 30 -2.210 -2.873 -5.897 230 HB3 ALA 30 HB3 ALA 30 -2.193 -3.409 -4.199 231 H LEU 31 HN LEU 31 -4.190 -4.885 -3.106 232 HA LEU 31 HA LEU 31 -3.199 -7.536 -2.458 233 HB2 LEU 31 HB2 LEU 31 -5.263 -5.679 -1.248 234 HB3 LEU 31 HB3 LEU 31 -4.958 -7.294 -0.595 235 HG LEU 31 HG LEU 31 -2.776 -5.184 -0.878 236 HD11 LEU 31 HD11 LEU 31 -3.064 -4.752 1.509 237 HD12 LEU 31 HD12 LEU 31 -4.417 -5.897 1.586 238 HD13 LEU 31 HD13 LEU 31 -4.567 -4.390 0.644 239 HD21 LEU 31 HD21 LEU 31 -1.630 -6.625 0.831 240 HD22 LEU 31 HD22 LEU 31 -1.910 -7.470 -0.686 241 HD23 LEU 31 HD23 LEU 31 -2.954 -7.803 0.712 242 H GLY 32 HN GLY 32 -6.393 -6.221 -3.335 243 HA2 GLY 32 HA2 GLY 32 -7.702 -7.503 -4.996 244 HA3 GLY 32 HA1 GLY 32 -7.399 -8.931 -4.033 245 H TYR 33 HN TYR 33 -7.929 -6.092 -2.124 246 HA TYR 33 HA TYR 33 -10.564 -6.992 -1.158 247 HB2 TYR 33 HB2 TYR 33 -8.707 -4.736 -0.310 248 HB3 TYR 33 HB3 TYR 33 -10.296 -5.049 0.375 249 HD1 TYR 33 HD1 TYR 33 -10.760 -7.004 1.779 250 HD2 TYR 33 HD2 TYR 33 -6.813 -6.116 0.316 251 HE1 TYR 33 HE1 TYR 33 -9.829 -8.534 3.445 252 HE2 TYR 33 HE2 TYR 33 -5.841 -7.714 1.954 253 HH TYR 33 HH TYR 33 -7.833 -9.344 4.401 254 H VAL 34 HN VAL 34 -10.843 -6.441 -3.740 255 HA VAL 34 HA VAL 34 -11.585 -3.693 -4.295 256 HB VAL 34 HB VAL 34 -10.835 -4.936 -6.116 257 HG11 VAL 34 HG11 VAL 34 -12.235 -7.032 -6.860 258 HG12 VAL 34 HG12 VAL 34 -10.910 -7.185 -5.691 259 HG13 VAL 34 HG13 VAL 34 -12.589 -7.167 -5.128 260 HG21 VAL 34 HG21 VAL 34 -12.853 -3.524 -6.593 261 HG22 VAL 34 HG22 VAL 34 -12.556 -4.825 -7.751 262 HG23 VAL 34 HG23 VAL 34 -13.827 -5.012 -6.528 263 H TRP 35 HN TRP 35 -13.571 -2.745 -4.147 264 HA TRP 35 HA TRP 35 -15.737 -4.023 -2.611 265 HB2 TRP 35 HB2 TRP 35 -15.230 -1.656 -2.278 266 HB3 TRP 35 HB3 TRP 35 -15.382 -1.325 -3.990 267 HD1 TRP 35 HD1 TRP 35 -17.678 -0.572 -4.807 268 HE1 TRP 35 HE1 TRP 35 -19.938 -0.120 -3.736 269 HE3 TRP 35 HE3 TRP 35 -16.929 -2.870 -0.251 270 HZ2 TRP 35 HZ2 TRP 35 -21.330 -0.813 -1.341 271 HZ3 TRP 35 HZ3 TRP 35 -18.785 -3.010 1.359 272 HH2 TRP 35 HH2 TRP 35 -21.005 -2.014 0.818 273 H ASP 36 HN ASP 36 -17.707 -4.573 -3.536 274 HA ASP 36 HA ASP 36 -18.039 -4.163 -6.482 275 HB2 ASP 36 HB2 ASP 36 -18.361 -6.682 -5.011 276 HB3 ASP 36 HB3 ASP 36 -19.858 -6.198 -5.749 277 H GLU 37 HN GLU 37 -19.099 -2.249 -6.402 278 HA GLU 37 HA GLU 37 -21.268 -1.503 -4.741 279 HB2 GLU 37 HB2 GLU 37 -20.137 -0.015 -6.250 280 HB3 GLU 37 HB3 GLU 37 -20.500 -1.041 -7.635 281 HG2 GLU 37 HG2 GLU 37 -22.912 -0.420 -7.434 282 HG3 GLU 37 HG3 GLU 37 -22.469 0.700 -6.119 283 H ALA 38 HN ALA 38 -20.988 -3.819 -7.308 284 HA ALA 38 HA ALA 38 -23.790 -4.154 -7.962 285 HB1 ALA 38 HB1 ALA 38 -22.885 -5.967 -9.335 286 HB2 ALA 38 HB2 ALA 38 -21.860 -4.530 -9.508 287 HB3 ALA 38 HB3 ALA 38 -21.341 -5.876 -8.456 288 H GLN 39 HN GLN 39 -21.903 -5.165 -5.293 289 HA GLN 39 HA GLN 39 -23.846 -7.299 -4.600 290 HB2 GLN 39 HB2 GLN 39 -20.834 -7.456 -4.204 291 HB3 GLN 39 HB3 GLN 39 -22.015 -8.568 -3.566 292 HG2 GLN 39 HG2 GLN 39 -22.801 -9.053 -5.910 293 HG3 GLN 39 HG3 GLN 39 -21.411 -8.116 -6.471 294 HE21 GLN 39 HE21 GLN 39 -19.364 -9.070 -6.417 295 HE22 GLN 39 HE22 GLN 39 -19.116 -10.747 -5.915 296 H SER 40 HN SER 40 -22.595 -4.344 -3.862 297 HA SER 40 HA SER 40 -22.046 -3.104 -2.140 298 HB2 SER 40 HB2 SER 40 -23.722 -2.848 -0.408 299 HB3 SER 40 HB3 SER 40 -24.387 -2.915 -2.028 300 HG SER 40 HG SER 40 -24.876 -5.189 -1.564 301 H CYS 41 HN CYS 41 -20.295 -5.264 -2.166 302 HA CYS 41 HA CYS 41 -19.544 -5.460 0.669 303 HB2 CYS 41 HB2 CYS 41 -20.552 -7.823 -0.935 304 HB3 CYS 41 HB3 CYS 41 -19.222 -8.078 0.194 305 HG CYS 41 HG CYS 41 -21.508 -8.763 1.284 306 H TRP 42 HN TRP 42 -17.488 -6.765 0.873 307 HA TRP 42 HA TRP 42 -15.507 -5.930 -1.167 308 HB2 TRP 42 HB2 TRP 42 -15.164 -7.201 1.589 309 HB3 TRP 42 HB3 TRP 42 -13.902 -6.518 0.563 310 HD1 TRP 42 HD1 TRP 42 -16.173 -5.641 3.383 311 HE1 TRP 42 HE1 TRP 42 -16.109 -3.147 3.849 312 HE3 TRP 42 HE3 TRP 42 -13.772 -4.109 -0.867 313 HZ2 TRP 42 HZ2 TRP 42 -15.362 -0.725 2.415 314 HZ3 TRP 42 HZ3 TRP 42 -13.200 -1.702 -1.179 315 HH2 TRP 42 HH2 TRP 42 -14.076 -0.006 0.395 316 H LYS 43 HN LYS 43 -15.234 -7.544 -2.769 317 HA LYS 43 HA LYS 43 -16.542 -10.068 -2.265 318 HB2 LYS 43 HB2 LYS 43 -14.533 -9.704 -4.509 319 HB3 LYS 43 HB3 LYS 43 -15.981 -10.712 -4.436 320 HG2 LYS 43 HG2 LYS 43 -17.047 -9.197 -5.498 321 HG3 LYS 43 HG3 LYS 43 -17.077 -8.258 -4.056 322 HD2 LYS 43 HD2 LYS 43 -16.170 -6.725 -5.639 323 HD3 LYS 43 HD3 LYS 43 -14.750 -7.360 -4.866 324 HE2 LYS 43 HE2 LYS 43 -13.998 -8.248 -6.745 325 HE3 LYS 43 HE3 LYS 43 -15.477 -9.158 -6.970 326 HZ1 LYS 43 HZ1 LYS 43 -15.153 -7.667 -8.866 327 HZ2 LYS 43 HZ2 LYS 43 -15.194 -6.342 -7.904 328 HZ3 LYS 43 HZ3 LYS 43 -16.493 -7.312 -8.049 329 H THR 44 HN THR 44 -13.542 -9.206 -1.930 330 HA THR 44 HA THR 44 -11.462 -9.901 -1.245 331 HB THR 44 HB THR 44 -11.406 -11.976 0.390 332 HG1 THR 44 HG1 THR 44 -13.468 -12.059 1.462 333 HG21 THR 44 HG21 THR 44 -12.729 -9.342 1.082 334 HG22 THR 44 HG22 THR 44 -10.981 -9.676 1.010 335 HG23 THR 44 HG23 THR 44 -11.995 -10.475 2.222 336 H ASP 45 HN ASP 45 -12.950 -10.966 -3.713 337 HA ASP 45 HA ASP 45 -12.334 -13.611 -3.810 338 HB2 ASP 45 HB2 ASP 45 -13.508 -11.552 -5.521 339 HB3 ASP 45 HB3 ASP 45 -12.860 -12.862 -6.459 340 H LEU 46 HN LEU 46 -10.763 -10.730 -4.974 341 HA LEU 46 HA LEU 46 -8.907 -12.124 -6.685 342 HB2 LEU 46 HB2 LEU 46 -9.544 -9.203 -6.125 343 HB3 LEU 46 HB3 LEU 46 -8.108 -9.655 -7.010 344 HG LEU 46 HG LEU 46 -10.214 -11.172 -8.204 345 HD11 LEU 46 HD11 LEU 46 -11.835 -9.570 -8.915 346 HD12 LEU 46 HD12 LEU 46 -10.971 -8.268 -8.074 347 HD13 LEU 46 HD13 LEU 46 -11.797 -9.548 -7.138 348 HD21 LEU 46 HD21 LEU 46 -8.774 -8.664 -9.103 349 HD22 LEU 46 HD22 LEU 46 -9.709 -9.747 -10.172 350 HD23 LEU 46 HD23 LEU 46 -8.254 -10.348 -9.366 351 H VAL 47 HN VAL 47 -9.086 -11.743 -3.435 352 HA VAL 47 HA VAL 47 -6.214 -11.002 -3.137 353 HB VAL 47 HB VAL 47 -7.374 -9.513 -1.908 354 HG11 VAL 47 HG11 VAL 47 -8.890 -9.746 -0.125 355 HG12 VAL 47 HG12 VAL 47 -9.488 -10.208 -1.712 356 HG13 VAL 47 HG13 VAL 47 -9.067 -11.451 -0.527 357 HG21 VAL 47 HG21 VAL 47 -6.612 -9.699 0.352 358 HG22 VAL 47 HG22 VAL 47 -6.503 -11.456 0.220 359 HG23 VAL 47 HG23 VAL 47 -5.393 -10.400 -0.721 360 H ALA 48 HN ALA 48 -4.829 -12.073 -1.745 361 HA ALA 48 HA ALA 48 -4.793 -14.884 -2.291 362 HB1 ALA 48 HB1 ALA 48 -3.047 -13.198 -0.429 363 HB2 ALA 48 HB2 ALA 48 -2.686 -14.843 -1.000 364 HB3 ALA 48 HB3 ALA 48 -2.737 -13.505 -2.157 365 HA PRO 49 HA PRO 49 -7.017 -16.403 1.151 366 HB2 PRO 49 HB2 PRO 49 -5.728 -18.749 1.812 367 HB3 PRO 49 HB3 PRO 49 -6.779 -18.525 0.389 368 HG2 PRO 49 HG2 PRO 49 -3.766 -18.443 0.531 369 HG3 PRO 49 HG3 PRO 49 -4.805 -19.221 -0.703 370 HD2 PRO 49 HD2 PRO 49 -3.627 -16.780 -1.059 371 HD3 PRO 49 HD3 PRO 49 -5.207 -17.149 -1.783 372 H GLU 50 HN GLU 50 -3.457 -16.328 1.635 373 HA GLU 50 HA GLU 50 -3.389 -16.393 4.382 374 HB2 GLU 50 HB2 GLU 50 -1.182 -15.485 4.271 375 HB3 GLU 50 HB3 GLU 50 -1.402 -16.510 2.857 376 HG2 GLU 50 HG2 GLU 50 -1.599 -14.585 1.394 377 HG3 GLU 50 HG3 GLU 50 -1.767 -13.482 2.746 378 H TRP 51 HN TRP 51 -4.389 -13.725 2.393 379 HA TRP 51 HA TRP 51 -4.078 -11.770 4.562 380 HB2 TRP 51 HB2 TRP 51 -4.600 -11.579 1.621 381 HB3 TRP 51 HB3 TRP 51 -5.257 -10.321 2.654 382 HD1 TRP 51 HD1 TRP 51 -1.932 -11.682 1.415 383 HE1 TRP 51 HE1 TRP 51 -0.034 -10.096 1.984 384 HE3 TRP 51 HE3 TRP 51 -4.597 -8.156 3.999 385 HZ2 TRP 51 HZ2 TRP 51 0.326 -7.658 3.534 386 HZ3 TRP 51 HZ3 TRP 51 -3.465 -6.168 4.928 387 HH2 TRP 51 HH2 TRP 51 -0.995 -5.917 4.726 388 H ARG 52 HN ARG 52 -6.667 -12.973 2.401 389 HA ARG 52 HA ARG 52 -8.735 -11.574 3.813 390 HB2 ARG 52 HB2 ARG 52 -10.271 -12.700 2.406 391 HB3 ARG 52 HB3 ARG 52 -8.891 -12.022 1.571 392 HG2 ARG 52 HG2 ARG 52 -7.961 -14.574 1.874 393 HG3 ARG 52 HG3 ARG 52 -9.688 -14.904 1.921 394 HD2 ARG 52 HD2 ARG 52 -9.801 -13.331 -0.206 395 HD3 ARG 52 HD3 ARG 52 -8.085 -13.383 -0.169 396 HE ARG 52 HE ARG 52 -8.271 -15.180 -1.477 397 HH11 ARG 52 HH11 ARG 52 -11.174 -15.249 0.610 398 HH12 ARG 52 HH12 ARG 52 -11.824 -16.623 -0.187 399 HH21 ARG 52 HH21 ARG 52 -9.091 -17.101 -2.382 400 HH22 ARG 52 HH22 ARG 52 -10.558 -17.799 -1.793 401 H GLN 53 HN GLN 53 -7.256 -14.633 4.559 402 HA GLN 53 HA GLN 53 -9.120 -16.263 5.510 403 HB2 GLN 53 HB2 GLN 53 -6.278 -15.794 5.923 404 HB3 GLN 53 HB3 GLN 53 -6.960 -16.220 7.471 405 HG2 GLN 53 HG2 GLN 53 -7.539 -18.341 6.832 406 HG3 GLN 53 HG3 GLN 53 -7.816 -17.889 5.152 407 HE21 GLN 53 HE21 GLN 53 -6.515 -19.172 3.922 408 HE22 GLN 53 HE22 GLN 53 -4.761 -19.199 4.076 409 H ASP 54 HN ASP 54 -7.857 -13.545 7.448 410 HA ASP 54 HA ASP 54 -10.013 -14.029 9.452 411 HB2 ASP 54 HB2 ASP 54 -7.161 -13.037 9.760 412 HB3 ASP 54 HB3 ASP 54 -8.382 -12.760 10.996 413 H TYR 55 HN TYR 55 -9.545 -12.188 6.864 414 HA TYR 55 HA TYR 55 -9.854 -9.495 8.118 415 HB2 TYR 55 HB2 TYR 55 -8.466 -10.398 5.633 416 HB3 TYR 55 HB3 TYR 55 -9.040 -8.747 5.834 417 HD1 TYR 55 HD1 TYR 55 -7.186 -11.207 8.062 418 HD2 TYR 55 HD2 TYR 55 -7.318 -7.261 6.292 419 HE1 TYR 55 HE1 TYR 55 -5.316 -10.578 9.396 420 HE2 TYR 55 HE2 TYR 55 -5.381 -6.617 7.625 421 HH TYR 55 HH TYR 55 -4.402 -7.277 9.817 422 HA PRO 56 HA PRO 56 -13.738 -10.433 5.655 423 HB2 PRO 56 HB2 PRO 56 -15.540 -9.342 7.418 424 HB3 PRO 56 HB3 PRO 56 -14.973 -11.040 7.506 425 HG2 PRO 56 HG2 PRO 56 -14.008 -8.639 9.076 426 HG3 PRO 56 HG3 PRO 56 -14.377 -10.285 9.685 427 HD2 PRO 56 HD2 PRO 56 -11.834 -9.455 9.132 428 HD3 PRO 56 HD3 PRO 56 -12.341 -11.146 8.816 429 H GLU 57 HN GLU 57 -12.286 -7.627 7.122 430 HA GLU 57 HA GLU 57 -13.695 -5.755 5.289 431 HB2 GLU 57 HB2 GLU 57 -12.974 -5.631 8.201 432 HB3 GLU 57 HB3 GLU 57 -12.713 -4.161 7.284 433 HG2 GLU 57 HG2 GLU 57 -15.347 -5.576 6.884 434 HG3 GLU 57 HG3 GLU 57 -15.091 -4.789 8.431 435 HA PRO 58 HA PRO 58 -9.727 -5.034 3.618 436 HB2 PRO 58 HB2 PRO 58 -9.739 -2.478 2.811 437 HB3 PRO 58 HB3 PRO 58 -10.834 -3.690 2.093 438 HG2 PRO 58 HG2 PRO 58 -11.460 -1.726 4.312 439 HG3 PRO 58 HG3 PRO 58 -12.389 -2.020 2.803 440 HD2 PRO 58 HD2 PRO 58 -13.055 -3.244 5.129 441 HD3 PRO 58 HD3 PRO 58 -13.150 -4.129 3.579 442 HA PRO 59 HA PRO 59 -7.074 -3.448 6.762 443 HB2 PRO 59 HB2 PRO 59 -4.760 -2.966 5.456 444 HB3 PRO 59 HB3 PRO 59 -5.412 -4.618 5.731 445 HG2 PRO 59 HG2 PRO 59 -5.599 -2.978 3.203 446 HG3 PRO 59 HG3 PRO 59 -5.184 -4.710 3.402 447 HD2 PRO 59 HD2 PRO 59 -7.708 -3.855 2.752 448 HD3 PRO 59 HD3 PRO 59 -7.413 -5.310 3.753 449 H ASP 60 HN ASP 60 -7.781 -1.596 7.537 450 HA ASP 60 HA ASP 60 -7.899 0.898 6.016 451 HB2 ASP 60 HB2 ASP 60 -9.556 -0.057 7.841 452 HB3 ASP 60 HB3 ASP 60 -8.423 0.653 8.996 453 H PHE 61 HN PHE 61 -5.881 1.887 5.684 454 HA PHE 61 HA PHE 61 -3.763 1.387 7.648 455 HB2 PHE 61 HB2 PHE 61 -3.757 2.758 4.949 456 HB3 PHE 61 HB3 PHE 61 -2.322 2.459 5.922 457 HD1 PHE 61 HD2 PHE 61 -1.640 0.062 6.479 458 HD2 PHE 61 HD1 PHE 61 -4.617 1.040 3.518 459 HE1 PHE 61 HE2 PHE 61 -1.351 -2.176 5.438 460 HE2 PHE 61 HE1 PHE 61 -4.281 -1.144 2.451 461 HZ PHE 61 HZ PHE 61 -2.645 -2.776 3.392 462 H ILE 62 HN ILE 62 -5.735 4.237 6.864 463 HA ILE 62 HA ILE 62 -3.652 6.099 7.698 464 HB ILE 62 HB ILE 62 -6.596 6.695 7.178 465 HG12 ILE 62 HG12 ILE 62 -4.257 6.692 5.240 466 HG13 ILE 62 HG13 ILE 62 -5.615 5.576 5.189 467 HG21 ILE 62 HG21 ILE 62 -5.915 8.932 6.892 468 HG22 ILE 62 HG22 ILE 62 -5.239 8.375 8.400 469 HG23 ILE 62 HG23 ILE 62 -4.181 8.511 6.968 470 HD11 ILE 62 HD11 ILE 62 -7.150 7.319 4.610 471 HD12 ILE 62 HD12 ILE 62 -5.880 8.575 4.763 472 HD13 ILE 62 HD13 ILE 62 -5.765 7.390 3.497 473 H ALA 63 HN ALA 63 -6.778 4.879 8.898 474 HA ALA 63 HA ALA 63 -6.668 6.144 11.498 475 HB1 ALA 63 HB1 ALA 63 -8.548 4.606 11.978 476 HB2 ALA 63 HB2 ALA 63 -8.767 5.498 10.464 477 HB3 ALA 63 HB3 ALA 63 -8.275 3.789 10.419 478 H SER 64 HN SER 64 -5.912 2.858 10.245 479 HA SER 64 HA SER 64 -5.204 2.045 12.992 480 HB2 SER 64 HB2 SER 64 -7.095 1.221 10.989 481 HB3 SER 64 HB3 SER 64 -5.897 -0.047 11.129 482 HG SER 64 HG SER 64 -7.799 0.885 12.907 483 H ARG 65 HN ARG 65 -3.527 0.456 13.313 484 HA ARG 65 HA ARG 65 -1.871 -0.167 10.953 485 HB2 ARG 65 HB2 ARG 65 0.242 0.254 12.096 486 HB3 ARG 65 HB3 ARG 65 -0.734 1.679 11.795 487 HG2 ARG 65 HG2 ARG 65 0.266 2.005 13.877 488 HG3 ARG 65 HG3 ARG 65 -1.432 1.706 14.197 489 HD2 ARG 65 HD2 ARG 65 -0.900 -0.600 14.935 490 HD3 ARG 65 HD3 ARG 65 0.797 -0.345 14.488 491 HE ARG 65 HE ARG 65 -0.401 1.533 16.427 492 HH11 ARG 65 HH11 ARG 65 1.643 -1.406 16.061 493 HH12 ARG 65 HH12 ARG 65 2.295 -1.243 17.643 494 HH21 ARG 65 HH21 ARG 65 0.377 1.542 18.562 495 HH22 ARG 65 HH22 ARG 65 1.636 0.460 19.037 496 HA PRO 66 HA PRO 66 -2.174 -4.041 13.332 497 HB2 PRO 66 HB2 PRO 66 -4.481 -5.231 12.535 498 HB3 PRO 66 HB3 PRO 66 -4.422 -4.125 13.938 499 HG2 PRO 66 HG2 PRO 66 -5.395 -3.571 11.131 500 HG3 PRO 66 HG3 PRO 66 -6.073 -3.032 12.690 501 HD2 PRO 66 HD2 PRO 66 -4.369 -1.544 11.038 502 HD3 PRO 66 HD3 PRO 66 -4.661 -1.266 12.783 503 H ALA 67 HN ALA 67 -3.740 -3.496 10.146 504 HA ALA 67 HA ALA 67 -2.641 -5.741 8.823 505 HB1 ALA 67 HB1 ALA 67 -4.590 -4.408 8.038 506 HB2 ALA 67 HB2 ALA 67 -3.501 -3.056 7.652 507 HB3 ALA 67 HB3 ALA 67 -3.334 -4.596 6.788 508 H THR 68 HN THR 68 -1.334 -2.535 9.439 509 HA THR 68 HA THR 68 0.862 -2.432 7.716 510 HB THR 68 HB THR 68 0.479 -1.501 10.580 511 HG1 THR 68 HG1 THR 68 -0.935 -0.614 8.915 512 HG21 THR 68 HG21 THR 68 2.638 -0.740 8.578 513 HG22 THR 68 HG22 THR 68 2.865 -1.459 10.188 514 HG23 THR 68 HG23 THR 68 2.254 0.191 10.045 515 H VAL 69 HN VAL 69 0.507 -4.496 10.679 516 HA VAL 69 HA VAL 69 3.272 -5.263 10.824 517 HB VAL 69 HB VAL 69 0.731 -6.690 11.704 518 HG11 VAL 69 HG11 VAL 69 3.535 -7.136 12.778 519 HG12 VAL 69 HG12 VAL 69 2.047 -7.990 13.226 520 HG13 VAL 69 HG13 VAL 69 2.737 -8.220 11.621 521 HG21 VAL 69 HG21 VAL 69 0.886 -4.489 12.800 522 HG22 VAL 69 HG22 VAL 69 1.235 -5.769 13.962 523 HG23 VAL 69 HG23 VAL 69 2.566 -4.825 13.264 524 H LYS 70 HN LYS 70 0.376 -6.576 9.176 525 HA LYS 70 HA LYS 70 1.616 -8.921 8.158 526 HB2 LYS 70 HB2 LYS 70 -0.843 -8.354 8.569 527 HB3 LYS 70 HB3 LYS 70 -0.832 -7.532 7.006 528 HG2 LYS 70 HG2 LYS 70 -0.412 -9.578 5.833 529 HG3 LYS 70 HG3 LYS 70 0.129 -10.406 7.297 530 HD2 LYS 70 HD2 LYS 70 -2.231 -10.111 8.244 531 HD3 LYS 70 HD3 LYS 70 -2.693 -9.443 6.691 532 HE2 LYS 70 HE2 LYS 70 -3.291 -11.631 6.307 533 HE3 LYS 70 HE3 LYS 70 -1.602 -11.747 5.793 534 HZ1 LYS 70 HZ1 LYS 70 -1.873 -13.494 7.247 535 HZ2 LYS 70 HZ2 LYS 70 -2.925 -12.742 8.211 536 HZ3 LYS 70 HZ3 LYS 70 -1.305 -12.376 8.312 537 H LEU 71 HN LEU 71 0.834 -5.781 6.718 538 HA LEU 71 HA LEU 71 1.985 -5.982 4.198 539 HB2 LEU 71 HB2 LEU 71 0.690 -4.028 5.564 540 HB3 LEU 71 HB3 LEU 71 2.342 -3.476 5.845 541 HG LEU 71 HG LEU 71 2.649 -3.618 3.305 542 HD11 LEU 71 HD11 LEU 71 0.500 -3.346 2.002 543 HD12 LEU 71 HD12 LEU 71 -0.414 -3.692 3.477 544 HD13 LEU 71 HD13 LEU 71 0.616 -4.935 2.745 545 HD21 LEU 71 HD21 LEU 71 2.527 -1.511 4.456 546 HD22 LEU 71 HD22 LEU 71 0.749 -1.598 4.531 547 HD23 LEU 71 HD23 LEU 71 1.572 -1.416 2.967 548 H THR 72 HN THR 72 3.579 -5.315 7.322 549 HA THR 72 HA THR 72 6.150 -4.662 6.222 550 HB THR 72 HB THR 72 5.096 -5.410 8.964 551 HG1 THR 72 HG1 THR 72 4.426 -3.523 8.330 552 HG21 THR 72 HG21 THR 72 7.346 -6.114 9.115 553 HG22 THR 72 HG22 THR 72 7.244 -4.530 9.893 554 HG23 THR 72 HG23 THR 72 7.956 -4.693 8.263 555 H ARG 73 HN ARG 73 4.625 -7.781 7.072 556 HA ARG 73 HA ARG 73 7.013 -9.290 7.083 557 HB2 ARG 73 HB2 ARG 73 4.373 -10.316 5.988 558 HB3 ARG 73 HB3 ARG 73 5.734 -11.232 6.641 559 HG2 ARG 73 HG2 ARG 73 5.234 -9.647 8.789 560 HG3 ARG 73 HG3 ARG 73 3.625 -9.645 8.075 561 HD2 ARG 73 HD2 ARG 73 5.266 -12.008 8.970 562 HD3 ARG 73 HD3 ARG 73 3.820 -11.364 9.748 563 HE ARG 73 HE ARG 73 2.709 -12.021 7.432 564 HH11 ARG 73 HH11 ARG 73 5.278 -13.928 9.086 565 HH12 ARG 73 HH12 ARG 73 4.686 -15.410 8.433 566 HH21 ARG 73 HH21 ARG 73 2.075 -13.991 6.549 567 HH22 ARG 73 HH22 ARG 73 2.893 -15.476 6.968 568 H SER 74 HN SER 74 4.890 -8.283 4.417 569 HA SER 74 HA SER 74 6.518 -9.351 2.301 570 HB2 SER 74 HB2 SER 74 4.218 -7.359 2.357 571 HB3 SER 74 HB3 SER 74 4.863 -8.137 0.904 572 HG SER 74 HG SER 74 3.876 -9.904 1.384 573 H ILE 75 HN ILE 75 7.629 -7.023 4.317 574 HA ILE 75 HA ILE 75 8.996 -5.665 2.050 575 HB ILE 75 HB ILE 75 8.408 -4.580 4.810 576 HG12 ILE 75 HG12 ILE 75 7.789 -3.392 2.054 577 HG13 ILE 75 HG13 ILE 75 6.654 -4.463 2.862 578 HG21 ILE 75 HG21 ILE 75 9.734 -2.592 4.100 579 HG22 ILE 75 HG22 ILE 75 10.746 -4.026 4.124 580 HG23 ILE 75 HG23 ILE 75 10.155 -3.409 2.579 581 HD11 ILE 75 HD11 ILE 75 6.082 -2.123 3.236 582 HD12 ILE 75 HD12 ILE 75 6.421 -2.997 4.738 583 HD13 ILE 75 HD13 ILE 75 7.618 -1.854 4.072 584 HA PRO 76 HA PRO 76 11.852 -8.732 4.038 585 HB2 PRO 76 HB2 PRO 76 13.117 -9.574 1.804 586 HB3 PRO 76 HB3 PRO 76 11.425 -10.065 2.107 587 HG2 PRO 76 HG2 PRO 76 12.317 -7.756 0.415 588 HG3 PRO 76 HG3 PRO 76 11.259 -9.133 -0.044 589 HD2 PRO 76 HD2 PRO 76 10.135 -6.844 0.826 590 HD3 PRO 76 HD3 PRO 76 9.507 -8.412 1.389 591 H ALA 77 HN ALA 77 14.392 -8.787 3.727 592 HA ALA 77 HA ALA 77 15.415 -6.293 4.529 593 HB1 ALA 77 HB1 ALA 77 16.860 -8.785 3.555 594 HB2 ALA 77 HB2 ALA 77 17.637 -7.373 4.308 595 HB3 ALA 77 HB3 ALA 77 16.476 -8.338 5.226 596 HA PRO 78 HA PRO 78 17.371 -5.715 0.143 597 HB2 PRO 78 HB2 PRO 78 16.149 -6.936 -2.020 598 HB3 PRO 78 HB3 PRO 78 17.521 -7.631 -1.104 599 HG2 PRO 78 HG2 PRO 78 14.553 -8.165 -0.693 600 HG3 PRO 78 HG3 PRO 78 15.860 -9.380 -0.851 601 HD2 PRO 78 HD2 PRO 78 15.070 -8.777 1.530 602 HD3 PRO 78 HD3 PRO 78 16.818 -8.817 1.211 603 H TYR 79 HN TYR 79 14.030 -5.553 1.030 604 HA TYR 79 HA TYR 79 13.512 -3.509 -1.071 605 HB2 TYR 79 HB2 TYR 79 11.677 -5.526 0.221 606 HB3 TYR 79 HB3 TYR 79 11.133 -4.246 -0.840 607 HD1 TYR 79 HD2 TYR 79 13.802 -4.567 -2.706 608 HD2 TYR 79 HD1 TYR 79 10.657 -7.250 -1.387 609 HE1 TYR 79 HE2 TYR 79 14.098 -5.793 -4.667 610 HE2 TYR 79 HE1 TYR 79 10.951 -8.535 -3.526 611 HH TYR 79 HH TYR 79 13.429 -8.716 -5.196 612 H LYS 80 HN LYS 80 14.558 -3.426 1.866 613 HA LYS 80 HA LYS 80 12.542 -2.336 3.498 614 HB2 LYS 80 HB2 LYS 80 15.564 -2.061 3.548 615 HB3 LYS 80 HB3 LYS 80 14.559 -1.307 4.778 616 HG2 LYS 80 HG2 LYS 80 14.382 -4.282 4.151 617 HG3 LYS 80 HG3 LYS 80 15.516 -3.616 5.327 618 HD2 LYS 80 HD2 LYS 80 13.675 -2.682 6.637 619 HD3 LYS 80 HD3 LYS 80 12.499 -3.293 5.459 620 HE2 LYS 80 HE2 LYS 80 13.064 -5.584 5.948 621 HE3 LYS 80 HE3 LYS 80 14.441 -5.096 6.951 622 HZ1 LYS 80 HZ1 LYS 80 12.940 -4.229 8.587 623 HZ2 LYS 80 HZ2 LYS 80 12.474 -5.733 8.231 624 HZ3 LYS 80 HZ3 LYS 80 11.633 -4.435 7.623 625 H GLN 81 HN GLN 81 14.592 -0.509 1.113 626 HA GLN 81 HA GLN 81 13.070 1.909 1.977 627 HB2 GLN 81 HB2 GLN 81 15.964 1.928 1.090 628 HB3 GLN 81 HB3 GLN 81 15.009 3.226 1.800 629 HG2 GLN 81 HG2 GLN 81 14.884 1.825 3.933 630 HG3 GLN 81 HG3 GLN 81 16.043 0.728 3.178 631 HE21 GLN 81 HE21 GLN 81 18.141 1.155 3.822 632 HE22 GLN 81 HE22 GLN 81 18.824 2.758 4.042 633 H LEU 82 HN LEU 82 12.175 0.258 -0.161 634 HA LEU 82 HA LEU 82 13.339 0.944 -2.665 635 HB2 LEU 82 HB2 LEU 82 10.550 -0.028 -2.021 636 HB3 LEU 82 HB3 LEU 82 11.207 0.175 -3.648 637 HG LEU 82 HG LEU 82 12.225 -1.747 -1.556 638 HD11 LEU 82 HD11 LEU 82 10.123 -2.372 -2.712 639 HD12 LEU 82 HD12 LEU 82 11.443 -3.470 -3.102 640 HD13 LEU 82 HD13 LEU 82 10.981 -2.259 -4.279 641 HD21 LEU 82 HD21 LEU 82 14.167 -1.050 -2.789 642 HD22 LEU 82 HD22 LEU 82 13.293 -1.139 -4.330 643 HD23 LEU 82 HD23 LEU 82 13.699 -2.598 -3.449 644 H LEU 83 HN LEU 83 11.090 2.707 -0.672 645 HA LEU 83 HA LEU 83 10.160 4.560 -2.601 646 HB2 LEU 83 HB2 LEU 83 10.472 4.466 0.351 647 HB3 LEU 83 HB3 LEU 83 10.613 6.097 -0.284 648 HG LEU 83 HG LEU 83 8.288 4.238 -0.946 649 HD11 LEU 83 HD11 LEU 83 8.290 4.775 1.456 650 HD12 LEU 83 HD12 LEU 83 6.989 5.627 0.634 651 HD13 LEU 83 HD13 LEU 83 8.450 6.519 1.078 652 HD21 LEU 83 HD21 LEU 83 7.193 6.288 -1.708 653 HD22 LEU 83 HD22 LEU 83 8.691 6.083 -2.601 654 HD23 LEU 83 HD23 LEU 83 8.616 7.262 -1.286 655 H LYS 84 HN LYS 84 13.378 4.265 -1.233 656 HA LYS 84 HA LYS 84 14.200 6.818 -2.549 657 HB2 LYS 84 HB2 LYS 84 14.624 7.241 -0.379 658 HB3 LYS 84 HB3 LYS 84 14.948 5.542 0.060 659 HG2 LYS 84 HG2 LYS 84 17.111 5.629 -1.140 660 HG3 LYS 84 HG3 LYS 84 16.805 7.311 -1.563 661 HD2 LYS 84 HD2 LYS 84 16.867 7.857 0.909 662 HD3 LYS 84 HD3 LYS 84 17.201 6.130 1.228 663 HE2 LYS 84 HE2 LYS 84 19.174 6.320 -0.386 664 HE3 LYS 84 HE3 LYS 84 18.859 8.056 -0.443 665 HZ1 LYS 84 HZ1 LYS 84 20.582 7.618 1.063 666 HZ2 LYS 84 HZ2 LYS 84 19.685 6.546 1.962 667 HZ3 LYS 84 HZ3 LYS 84 19.299 8.143 1.927 668 H GLU 85 HN GLU 85 14.979 3.372 -2.124 669 HA GLU 85 HA GLU 85 17.286 3.297 -3.781 670 HB2 GLU 85 HB2 GLU 85 15.113 1.198 -3.531 671 HB3 GLU 85 HB3 GLU 85 16.699 0.960 -4.227 672 HG2 GLU 85 HG2 GLU 85 17.791 1.392 -2.124 673 HG3 GLU 85 HG3 GLU 85 16.288 1.833 -1.338 674 H GLU 86 HN GLU 86 13.801 2.900 -4.673 675 HA GLU 86 HA GLU 86 14.517 2.801 -7.488 676 HB2 GLU 86 HB2 GLU 86 11.738 2.843 -6.252 677 HB3 GLU 86 HB3 GLU 86 12.210 2.292 -7.846 678 HG2 GLU 86 HG2 GLU 86 12.983 0.960 -5.220 679 HG3 GLU 86 HG3 GLU 86 11.674 0.453 -6.275 680 H LEU 87 HN LEU 87 12.020 4.815 -5.812 681 HA LEU 87 HA LEU 87 12.074 6.707 -7.962 682 HB2 LEU 87 HB2 LEU 87 10.938 7.161 -5.176 683 HB3 LEU 87 HB3 LEU 87 10.551 8.069 -6.624 684 HG LEU 87 HG LEU 87 9.892 5.156 -6.159 685 HD11 LEU 87 HD11 LEU 87 7.604 5.893 -5.890 686 HD12 LEU 87 HD12 LEU 87 8.058 7.581 -6.220 687 HD13 LEU 87 HD13 LEU 87 8.627 6.774 -4.746 688 HD21 LEU 87 HD21 LEU 87 10.181 5.624 -8.565 689 HD22 LEU 87 HD22 LEU 87 9.015 6.956 -8.440 690 HD23 LEU 87 HD23 LEU 87 8.500 5.282 -8.151 691 H GLY 88 HN GLY 88 13.843 6.649 -4.927 692 HA2 GLY 88 HA2 GLY 88 15.466 8.167 -4.111 693 HA3 GLY 88 HA1 GLY 88 15.273 9.128 -5.570 694 H PHE 89 HN PHE 89 12.497 8.208 -3.453 695 HA PHE 89 HA PHE 89 11.802 10.936 -3.180 696 HB2 PHE 89 HB2 PHE 89 9.958 9.595 -3.141 697 HB3 PHE 89 HB3 PHE 89 10.706 8.368 -2.142 698 HD1 PHE 89 HD1 PHE 89 10.829 8.487 0.234 699 HD2 PHE 89 HD2 PHE 89 8.866 11.581 -2.020 700 HE1 PHE 89 HE1 PHE 89 10.075 9.497 2.336 701 HE2 PHE 89 HE2 PHE 89 7.977 12.546 0.087 702 HZ PHE 89 HZ PHE 89 8.584 11.537 2.277 703 H ALA 90 HN ALA 90 13.816 9.104 -1.264 704 HA ALA 90 HA ALA 90 15.314 9.591 0.319 705 HB1 ALA 90 HB1 ALA 90 15.168 11.974 -0.553 706 HB2 ALA 90 HB2 ALA 90 14.117 12.284 0.845 707 HB3 ALA 90 HB3 ALA 90 15.786 11.709 1.102 708 H GLY 91 HN GLY 91 14.458 11.164 2.772 709 HA2 GLY 91 HA2 GLY 91 12.206 9.468 3.498 710 HA3 GLY 91 HA1 GLY 91 13.479 9.816 4.705 711 H TYR 92 HN TYR 92 11.477 10.677 5.824 712 HA TYR 92 HA TYR 92 10.058 12.922 4.674 713 HB2 TYR 92 HB2 TYR 92 10.062 12.084 7.594 714 HB3 TYR 92 HB3 TYR 92 8.771 12.863 6.696 715 HD1 TYR 92 HD2 TYR 92 7.768 11.428 4.659 716 HD2 TYR 92 HD1 TYR 92 10.140 9.766 7.849 717 HE1 TYR 92 HE2 TYR 92 6.867 9.196 4.135 718 HE2 TYR 92 HE1 TYR 92 9.330 7.493 7.270 719 HH TYR 92 HH TYR 92 8.258 6.514 4.791 720 H SER 93 HN SER 93 9.823 14.997 5.747 721 HA SER 93 HA SER 93 12.240 16.004 7.167 722 HB2 SER 93 HB2 SER 93 10.053 17.582 5.868 723 HB3 SER 93 HB3 SER 93 11.650 18.117 6.338 724 HG SER 93 HG SER 93 10.883 17.230 3.976 725 H ILE 94 HN ILE 94 11.804 17.440 8.963 726 HA ILE 94 HA ILE 94 9.796 16.421 10.733 727 HB ILE 94 HB ILE 94 11.805 17.379 11.607 728 HG12 ILE 94 HG12 ILE 94 10.840 18.882 13.373 729 HG13 ILE 94 HG13 ILE 94 9.354 19.011 12.470 730 HG21 ILE 94 HG21 ILE 94 12.286 19.748 11.659 731 HG22 ILE 94 HG22 ILE 94 12.172 19.186 9.991 732 HG23 ILE 94 HG23 ILE 94 10.829 20.098 10.709 733 HD11 ILE 94 HD11 ILE 94 10.482 16.412 13.593 734 HD12 ILE 94 HD12 ILE 94 9.195 17.385 14.326 735 HD13 ILE 94 HD13 ILE 94 8.920 16.600 12.764 736 H ASN 95 HN ASN 95 9.850 19.268 8.645 737 HA ASN 95 HA ASN 95 7.437 20.376 9.609 738 HB2 ASN 95 HB2 ASN 95 7.471 21.783 7.652 739 HB3 ASN 95 HB3 ASN 95 9.101 21.683 8.305 740 HD21 ASN 95 HD21 ASN 95 10.724 21.080 6.793 741 HD22 ASN 95 HD22 ASN 95 10.342 20.460 5.205 742 H GLU 96 HN GLU 96 7.864 17.568 7.777 743 HA GLU 96 HA GLU 96 5.162 17.692 6.521 744 HB2 GLU 96 HB2 GLU 96 7.356 15.642 6.072 745 HB3 GLU 96 HB3 GLU 96 5.900 15.834 5.112 746 HG2 GLU 96 HG2 GLU 96 8.080 17.931 5.184 747 HG3 GLU 96 HG3 GLU 96 8.157 16.505 4.179 748 H LEU 97 HN LEU 97 6.514 16.552 9.485 749 HA LEU 97 HA LEU 97 5.966 13.774 8.960 750 HB2 LEU 97 HB2 LEU 97 7.650 15.297 10.777 751 HB3 LEU 97 HB3 LEU 97 6.843 14.011 11.621 752 HG LEU 97 HG LEU 97 8.454 13.666 9.059 753 HD11 LEU 97 HD11 LEU 97 9.793 14.256 11.093 754 HD12 LEU 97 HD12 LEU 97 10.164 12.658 10.426 755 HD13 LEU 97 HD13 LEU 97 9.150 12.800 11.876 756 HD21 LEU 97 HD21 LEU 97 8.391 11.220 9.621 757 HD22 LEU 97 HD22 LEU 97 6.826 11.870 9.143 758 HD23 LEU 97 HD23 LEU 97 7.172 11.578 10.856 759 H VAL 98 HN VAL 98 3.750 13.990 8.609 760 HA VAL 98 HA VAL 98 2.114 14.108 11.045 761 HB VAL 98 HB VAL 98 0.327 14.762 9.561 762 HG11 VAL 98 HG11 VAL 98 2.026 16.441 10.416 763 HG12 VAL 98 HG12 VAL 98 2.841 16.348 8.836 764 HG13 VAL 98 HG13 VAL 98 1.182 16.921 8.942 765 HG21 VAL 98 HG21 VAL 98 0.650 15.280 7.177 766 HG22 VAL 98 HG22 VAL 98 2.287 14.644 7.227 767 HG23 VAL 98 HG23 VAL 98 0.902 13.561 7.435 768 HA PRO 99 HA PRO 99 0.928 9.829 10.486 769 HB2 PRO 99 HB2 PRO 99 -1.685 10.104 11.559 770 HB3 PRO 99 HB3 PRO 99 -0.232 9.500 12.366 771 HG2 PRO 99 HG2 PRO 99 -1.575 12.077 12.718 772 HG3 PRO 99 HG3 PRO 99 -0.239 11.373 13.668 773 HD2 PRO 99 HD2 PRO 99 -0.101 13.489 11.732 774 HD3 PRO 99 HD3 PRO 99 1.257 12.712 12.605 775 H ARG 100 HN ARG 100 -0.893 12.608 9.246 776 HA ARG 100 HA ARG 100 -2.659 11.077 7.626 777 HB2 ARG 100 HB2 ARG 100 -2.421 13.788 8.252 778 HB3 ARG 100 HB3 ARG 100 -1.764 13.769 6.621 779 HG2 ARG 100 HG2 ARG 100 -3.917 12.383 6.029 780 HG3 ARG 100 HG3 ARG 100 -4.514 12.930 7.589 781 HD2 ARG 100 HD2 ARG 100 -3.411 15.138 5.942 782 HD3 ARG 100 HD3 ARG 100 -4.640 14.196 5.110 783 HE ARG 100 HE ARG 100 -5.203 15.220 7.823 784 HH11 ARG 100 HH11 ARG 100 -5.749 15.610 4.298 785 HH12 ARG 100 HH12 ARG 100 -7.262 16.418 4.551 786 HH21 ARG 100 HH21 ARG 100 -7.196 16.627 8.017 787 HH22 ARG 100 HH22 ARG 100 -7.857 17.196 6.532 788 H LYS 101 HN LYS 101 0.676 11.276 7.251 789 HA LYS 101 HA LYS 101 0.439 10.650 4.355 790 HB2 LYS 101 HB2 LYS 101 1.801 12.317 3.791 791 HB3 LYS 101 HB3 LYS 101 0.965 13.110 5.063 792 HG2 LYS 101 HG2 LYS 101 3.145 13.762 5.328 793 HG3 LYS 101 HG3 LYS 101 3.078 12.465 6.519 794 HD2 LYS 101 HD2 LYS 101 4.489 11.074 5.198 795 HD3 LYS 101 HD3 LYS 101 3.886 11.781 3.702 796 HE2 LYS 101 HE2 LYS 101 6.102 12.608 3.900 797 HE3 LYS 101 HE3 LYS 101 5.028 13.936 4.363 798 HZ1 LYS 101 HZ1 LYS 101 6.828 13.721 5.891 799 HZ2 LYS 101 HZ2 LYS 101 6.305 12.208 6.360 800 HZ3 LYS 101 HZ3 LYS 101 5.375 13.579 6.579 801 H THR 102 HN THR 102 2.369 10.479 7.269 802 HA THR 102 HA THR 102 4.363 8.661 6.347 803 HB THR 102 HB THR 102 4.493 7.890 8.723 804 HG1 THR 102 HG1 THR 102 3.115 8.595 10.197 805 HG21 THR 102 HG21 THR 102 5.200 10.046 9.676 806 HG22 THR 102 HG22 THR 102 4.411 10.911 8.340 807 HG23 THR 102 HG23 THR 102 5.791 9.829 8.017 808 H ARG 103 HN ARG 103 0.960 8.037 7.436 809 HA ARG 103 HA ARG 103 1.205 5.159 7.291 810 HB2 ARG 103 HB2 ARG 103 -1.228 6.950 6.887 811 HB3 ARG 103 HB3 ARG 103 -1.276 5.201 6.987 812 HG2 ARG 103 HG2 ARG 103 -0.428 7.115 9.207 813 HG3 ARG 103 HG3 ARG 103 -1.954 6.268 9.073 814 HD2 ARG 103 HD2 ARG 103 -0.966 4.832 10.494 815 HD3 ARG 103 HD3 ARG 103 -0.356 4.120 8.996 816 HE ARG 103 HE ARG 103 1.239 6.269 10.266 817 HH11 ARG 103 HH11 ARG 103 0.980 2.733 9.703 818 HH12 ARG 103 HH12 ARG 103 2.563 2.463 10.405 819 HH21 ARG 103 HH21 ARG 103 3.294 5.785 11.137 820 HH22 ARG 103 HH22 ARG 103 3.864 4.132 11.093 821 H ARG 104 HN ARG 104 0.197 7.619 4.798 822 HA ARG 104 HA ARG 104 0.016 5.744 2.776 823 HB2 ARG 104 HB2 ARG 104 0.032 8.631 2.853 824 HB3 ARG 104 HB3 ARG 104 1.095 8.103 1.566 825 HG2 ARG 104 HG2 ARG 104 -1.860 7.555 1.878 826 HG3 ARG 104 HG3 ARG 104 -1.038 8.338 0.571 827 HD2 ARG 104 HD2 ARG 104 0.158 5.804 0.567 828 HD3 ARG 104 HD3 ARG 104 -1.494 5.466 1.159 829 HE ARG 104 HE ARG 104 -1.757 6.983 -1.153 830 HH11 ARG 104 HH11 ARG 104 -0.342 3.893 -0.278 831 HH12 ARG 104 HH12 ARG 104 -0.838 3.042 -1.712 832 HH21 ARG 104 HH21 ARG 104 -2.333 5.901 -3.179 833 HH22 ARG 104 HH22 ARG 104 -1.920 4.256 -3.430 834 H ALA 105 HN ALA 105 3.078 7.594 3.586 835 HA ALA 105 HA ALA 105 4.532 6.301 1.617 836 HB1 ALA 105 HB1 ALA 105 5.263 8.303 2.740 837 HB2 ALA 105 HB2 ALA 105 5.382 7.434 4.282 838 HB3 ALA 105 HB3 ALA 105 6.495 7.039 2.942 839 H THR 106 HN THR 106 3.747 4.970 4.868 840 HA THR 106 HA THR 106 5.425 2.698 4.800 841 HB THR 106 HB THR 106 2.619 3.170 5.835 842 HG1 THR 106 HG1 THR 106 5.148 3.309 6.887 843 HG21 THR 106 HG21 THR 106 4.124 0.554 6.001 844 HG22 THR 106 HG22 THR 106 2.514 0.840 5.325 845 HG23 THR 106 HG23 THR 106 2.757 1.017 7.057 846 H MET 107 HN MET 107 2.156 3.135 3.356 847 HA MET 107 HA MET 107 2.034 0.582 2.074 848 HB2 MET 107 HB2 MET 107 0.625 3.203 1.425 849 HB3 MET 107 HB3 MET 107 0.226 1.643 0.755 850 HG2 MET 107 HG2 MET 107 -0.816 0.918 2.706 851 HG3 MET 107 HG3 MET 107 0.263 1.844 3.742 852 HE1 MET 107 HE1 MET 107 -3.699 3.421 1.943 853 HE2 MET 107 HE2 MET 107 -2.405 3.064 0.803 854 HE3 MET 107 HE3 MET 107 -3.087 1.773 1.821 855 H THR 108 HN THR 108 3.071 3.865 0.908 856 HA THR 108 HA THR 108 3.379 3.135 -1.739 857 HB THR 108 HB THR 108 5.002 5.237 -0.288 858 HG1 THR 108 HG1 THR 108 3.176 6.510 -0.406 859 HG21 THR 108 HG21 THR 108 4.760 6.479 -2.409 860 HG22 THR 108 HG22 THR 108 3.787 5.172 -3.087 861 HG23 THR 108 HG23 THR 108 5.506 4.901 -2.734 862 H ASN 109 HN ASN 109 5.861 2.828 0.890 863 HA ASN 109 HA ASN 109 7.874 1.714 -0.793 864 HB2 ASN 109 HB2 ASN 109 8.096 2.402 1.679 865 HB3 ASN 109 HB3 ASN 109 7.410 0.826 2.069 866 HD21 ASN 109 HD21 ASN 109 8.706 -1.147 1.468 867 HD22 ASN 109 HD22 ASN 109 10.401 -0.983 1.124 868 H TRP 110 HN TRP 110 5.064 0.199 0.809 869 HA TRP 110 HA TRP 110 5.842 -2.529 0.221 870 HB2 TRP 110 HB2 TRP 110 4.227 -2.182 1.977 871 HB3 TRP 110 HB3 TRP 110 3.145 -1.324 0.897 872 HD1 TRP 110 HD1 TRP 110 4.193 -4.862 1.847 873 HE1 TRP 110 HE1 TRP 110 2.479 -6.549 0.824 874 HE3 TRP 110 HE3 TRP 110 1.520 -1.687 -1.159 875 HZ2 TRP 110 HZ2 TRP 110 0.381 -6.520 -1.063 876 HZ3 TRP 110 HZ3 TRP 110 -0.347 -2.574 -2.562 877 HH2 TRP 110 HH2 TRP 110 -0.910 -4.976 -2.519 878 H LEU 111 HN LEU 111 4.009 -0.024 -1.597 879 HA LEU 111 HA LEU 111 3.002 -1.803 -3.558 880 HB2 LEU 111 HB2 LEU 111 3.703 1.142 -3.719 881 HB3 LEU 111 HB3 LEU 111 2.966 0.270 -5.060 882 HG LEU 111 HG LEU 111 1.680 0.345 -2.306 883 HD11 LEU 111 HD11 LEU 111 1.815 2.669 -3.003 884 HD12 LEU 111 HD12 LEU 111 0.155 2.099 -3.267 885 HD13 LEU 111 HD13 LEU 111 1.272 2.250 -4.627 886 HD21 LEU 111 HD21 LEU 111 -0.319 -0.356 -3.362 887 HD22 LEU 111 HD22 LEU 111 0.930 -1.386 -4.086 888 HD23 LEU 111 HD23 LEU 111 0.285 0.007 -4.968 889 H LEU 112 HN LEU 112 6.203 -0.040 -3.529 890 HA LEU 112 HA LEU 112 7.176 -1.309 -5.893 891 HB2 LEU 112 HB2 LEU 112 8.733 -0.484 -3.414 892 HB3 LEU 112 HB3 LEU 112 9.399 -0.985 -4.963 893 HG LEU 112 HG LEU 112 9.687 1.279 -4.862 894 HD11 LEU 112 HD11 LEU 112 8.974 0.357 -7.041 895 HD12 LEU 112 HD12 LEU 112 8.556 2.064 -6.863 896 HD13 LEU 112 HD13 LEU 112 7.304 0.815 -6.696 897 HD21 LEU 112 HD21 LEU 112 8.123 2.956 -4.334 898 HD22 LEU 112 HD22 LEU 112 8.079 1.739 -3.049 899 HD23 LEU 112 HD23 LEU 112 6.781 1.800 -4.276 900 H ALA 113 HN ALA 113 7.372 -2.289 -2.417 901 HA ALA 113 HA ALA 113 8.973 -4.567 -2.937 902 HB1 ALA 113 HB1 ALA 113 8.497 -5.226 -0.678 903 HB2 ALA 113 HB2 ALA 113 8.588 -3.461 -0.692 904 HB3 ALA 113 HB3 ALA 113 7.001 -4.277 -0.635 905 H TYR 114 HN TYR 114 5.474 -4.174 -3.225 906 HA TYR 114 HA TYR 114 4.970 -7.019 -3.561 907 HB2 TYR 114 HB2 TYR 114 3.196 -5.668 -2.663 908 HB3 TYR 114 HB3 TYR 114 3.268 -4.553 -4.028 909 HD1 TYR 114 HD2 TYR 114 2.997 -8.316 -3.554 910 HD2 TYR 114 HD1 TYR 114 1.607 -4.815 -5.663 911 HE1 TYR 114 HE2 TYR 114 1.520 -9.737 -4.907 912 HE2 TYR 114 HE1 TYR 114 0.032 -6.233 -6.955 913 HH TYR 114 HH TYR 114 0.033 -9.799 -6.729 914 H ARG 115 HN ARG 115 5.143 -4.147 -5.854 915 HA ARG 115 HA ARG 115 4.645 -5.850 -8.082 916 HB2 ARG 115 HB2 ARG 115 5.651 -4.190 -9.569 917 HB3 ARG 115 HB3 ARG 115 4.425 -3.523 -8.518 918 HG2 ARG 115 HG2 ARG 115 5.822 -2.044 -7.562 919 HG3 ARG 115 HG3 ARG 115 7.135 -3.201 -7.416 920 HD2 ARG 115 HD2 ARG 115 6.491 -1.952 -10.081 921 HD3 ARG 115 HD3 ARG 115 7.546 -1.175 -8.888 922 HE ARG 115 HE ARG 115 8.489 -3.764 -9.074 923 HH11 ARG 115 HH11 ARG 115 8.264 -0.964 -11.253 924 HH12 ARG 115 HH12 ARG 115 9.689 -1.405 -12.132 925 HH21 ARG 115 HH21 ARG 115 10.049 -4.556 -10.580 926 HH22 ARG 115 HH22 ARG 115 10.781 -3.482 -11.686 927 H ARG 116 HN ARG 116 7.663 -5.114 -6.424 928 HA ARG 116 HA ARG 116 9.445 -6.440 -8.162 929 HB2 ARG 116 HB2 ARG 116 9.403 -5.946 -5.162 930 HB3 ARG 116 HB3 ARG 116 10.701 -6.822 -5.947 931 HG2 ARG 116 HG2 ARG 116 9.916 -3.968 -6.696 932 HG3 ARG 116 HG3 ARG 116 11.235 -4.438 -5.611 933 HD2 ARG 116 HD2 ARG 116 12.053 -5.923 -7.548 934 HD3 ARG 116 HD3 ARG 116 10.973 -5.004 -8.580 935 HE ARG 116 HE ARG 116 12.147 -2.922 -7.810 936 HH11 ARG 116 HH11 ARG 116 13.812 -6.083 -8.153 937 HH12 ARG 116 HH12 ARG 116 15.382 -5.422 -7.976 938 HH21 ARG 116 HH21 ARG 116 14.400 -2.040 -7.562 939 HH22 ARG 116 HH22 ARG 116 15.706 -3.129 -7.729 940 H SER 117 HN SER 117 7.205 -7.890 -5.847 941 HA SER 117 HA SER 117 8.434 -10.505 -6.032 942 HB2 SER 117 HB2 SER 117 5.881 -9.384 -4.855 943 HB3 SER 117 HB3 SER 117 6.074 -11.133 -5.030 944 HG SER 117 HG SER 117 7.882 -11.121 -3.822 945 H GLN 118 HN GLN 118 6.678 -8.732 -8.429 946 HA GLN 118 HA GLN 118 5.049 -11.007 -9.280 947 HB2 GLN 118 HB2 GLN 118 5.371 -8.194 -10.380 948 HB3 GLN 118 HB3 GLN 118 4.384 -9.441 -11.123 949 HG2 GLN 118 HG2 GLN 118 3.104 -9.715 -8.999 950 HG3 GLN 118 HG3 GLN 118 4.013 -8.389 -8.290 951 HE21 GLN 118 HE21 GLN 118 3.563 -7.304 -11.503 952 HE22 GLN 118 HE22 GLN 118 2.065 -6.457 -11.148 953 H GLN 119 HN GLN 119 8.071 -9.568 -10.222 954 HA GLN 119 HA GLN 119 8.195 -11.083 -12.761 955 HB2 GLN 119 HB2 GLN 119 10.207 -9.738 -13.209 956 HB3 GLN 119 HB3 GLN 119 8.713 -8.854 -13.093 957 HG2 GLN 119 HG2 GLN 119 10.285 -9.072 -10.564 958 HG3 GLN 119 HG3 GLN 119 11.048 -8.163 -11.861 959 HE21 GLN 119 HE21 GLN 119 7.572 -7.806 -11.971 960 HE22 GLN 119 HE22 GLN 119 7.527 -6.263 -11.156 961 H ASP 120 HN ASP 120 8.376 -12.120 -10.002 962 HA ASP 120 HA ASP 120 10.979 -13.205 -9.457 963 HB2 ASP 120 HB2 ASP 120 9.218 -13.158 -7.751 964 HB3 ASP 120 HB3 ASP 120 8.167 -14.165 -8.760 Start of MODEL 16 1 H1 MET 1 HN MET 1 -3.602 -11.132 -7.312 2 HA MET 1 HA MET 1 -5.220 -10.014 -9.490 3 HB2 MET 1 HB2 MET 1 -6.288 -9.386 -7.264 4 HB3 MET 1 HB3 MET 1 -4.816 -8.541 -6.855 5 HG2 MET 1 HG2 MET 1 -5.768 -6.789 -7.838 6 HG3 MET 1 HG3 MET 1 -5.338 -7.521 -9.373 7 HE1 MET 1 HE1 MET 1 -7.827 -5.295 -8.678 8 HE2 MET 1 HE2 MET 1 -7.112 -5.740 -10.243 9 HE3 MET 1 HE3 MET 1 -8.865 -5.874 -9.998 10 H GLY 2 HN GLY 2 -3.329 -9.825 -10.952 11 HA2 GLY 2 HA2 GLY 2 -0.822 -9.041 -9.720 12 HA3 GLY 2 HA1 GLY 2 -1.122 -9.653 -11.334 13 H ILE 3 HN ILE 3 -2.419 -6.815 -9.673 14 HA ILE 3 HA ILE 3 -2.394 -5.170 -11.960 15 HB ILE 3 HB ILE 3 -2.116 -4.163 -9.136 16 HG12 ILE 3 HG12 ILE 3 -4.606 -5.309 -10.461 17 HG13 ILE 3 HG13 ILE 3 -3.783 -5.922 -9.029 18 HG21 ILE 3 HG21 ILE 3 -3.647 -3.009 -11.515 19 HG22 ILE 3 HG22 ILE 3 -3.552 -2.276 -9.899 20 HG23 ILE 3 HG23 ILE 3 -2.107 -2.419 -10.837 21 HD11 ILE 3 HD11 ILE 3 -5.702 -4.717 -8.220 22 HD12 ILE 3 HD12 ILE 3 -4.350 -3.603 -7.953 23 HD13 ILE 3 HD13 ILE 3 -5.449 -3.378 -9.327 24 H THR 4 HN THR 4 -1.073 -3.591 -12.610 25 HA THR 4 HA THR 4 1.796 -3.890 -12.022 26 HB THR 4 HB THR 4 0.327 -2.246 -14.125 27 HG1 THR 4 HG1 THR 4 1.390 -4.885 -14.113 28 HG21 THR 4 HG21 THR 4 3.263 -2.973 -13.794 29 HG22 THR 4 HG22 THR 4 2.558 -1.350 -13.772 30 HG23 THR 4 HG23 THR 4 2.547 -2.280 -15.276 31 H ILE 5 HN ILE 5 3.152 -2.164 -11.410 32 HA ILE 5 HA ILE 5 1.773 0.059 -10.019 33 HB ILE 5 HB ILE 5 4.178 -1.531 -9.067 34 HG12 ILE 5 HG12 ILE 5 2.236 -3.026 -9.095 35 HG13 ILE 5 HG13 ILE 5 2.869 -2.729 -7.490 36 HG21 ILE 5 HG21 ILE 5 3.693 -0.402 -6.919 37 HG22 ILE 5 HG22 ILE 5 4.124 0.712 -8.233 38 HG23 ILE 5 HG23 ILE 5 2.435 0.552 -7.754 39 HD11 ILE 5 HD11 ILE 5 0.381 -1.407 -8.670 40 HD12 ILE 5 HD12 ILE 5 0.398 -2.777 -7.544 41 HD13 ILE 5 HD13 ILE 5 0.998 -1.197 -7.015 42 H THR 6 HN THR 6 2.156 1.615 -11.258 43 HA THR 6 HA THR 6 4.654 2.302 -12.539 44 HB THR 6 HB THR 6 3.444 4.589 -12.695 45 HG1 THR 6 HG1 THR 6 1.235 2.963 -11.927 46 HG21 THR 6 HG21 THR 6 1.986 3.682 -14.489 47 HG22 THR 6 HG22 THR 6 2.144 2.043 -13.780 48 HG23 THR 6 HG23 THR 6 3.555 2.867 -14.491 49 H ASP 7 HN ASP 7 6.237 3.722 -11.886 50 HA ASP 7 HA ASP 7 6.767 4.065 -9.021 51 HB2 ASP 7 HB2 ASP 7 8.124 4.848 -11.617 52 HB3 ASP 7 HB3 ASP 7 8.557 5.671 -10.139 53 H GLU 8 HN GLU 8 5.552 5.940 -11.788 54 HA GLU 8 HA GLU 8 5.498 8.513 -10.521 55 HB2 GLU 8 HB2 GLU 8 3.802 7.231 -12.702 56 HB3 GLU 8 HB3 GLU 8 3.706 8.945 -12.240 57 HG2 GLU 8 HG2 GLU 8 6.297 8.916 -12.677 58 HG3 GLU 8 HG3 GLU 8 5.954 7.453 -13.603 59 H LEU 9 HN LEU 9 3.184 5.725 -10.313 60 HA LEU 9 HA LEU 9 1.066 7.234 -9.116 61 HB2 LEU 9 HB2 LEU 9 0.536 5.237 -10.269 62 HB3 LEU 9 HB3 LEU 9 1.855 4.351 -9.470 63 HG LEU 9 HG LEU 9 0.737 4.548 -7.373 64 HD11 LEU 9 HD11 LEU 9 -0.750 6.558 -8.005 65 HD12 LEU 9 HD12 LEU 9 -1.541 5.258 -7.143 66 HD13 LEU 9 HD13 LEU 9 -1.757 5.418 -8.909 67 HD21 LEU 9 HD21 LEU 9 -0.959 2.773 -7.872 68 HD22 LEU 9 HD22 LEU 9 0.586 2.528 -8.717 69 HD23 LEU 9 HD23 LEU 9 -0.801 3.176 -9.600 70 H LEU 10 HN LEU 10 4.002 5.493 -7.948 71 HA LEU 10 HA LEU 10 3.149 5.502 -5.205 72 HB2 LEU 10 HB2 LEU 10 5.878 5.377 -6.520 73 HB3 LEU 10 HB3 LEU 10 5.679 5.389 -4.792 74 HG LEU 10 HG LEU 10 5.779 3.141 -6.380 75 HD11 LEU 10 HD11 LEU 10 4.312 3.247 -3.732 76 HD12 LEU 10 HD12 LEU 10 6.076 3.384 -3.901 77 HD13 LEU 10 HD13 LEU 10 5.270 1.920 -4.416 78 HD21 LEU 10 HD21 LEU 10 3.462 3.317 -7.267 79 HD22 LEU 10 HD22 LEU 10 2.817 3.403 -5.628 80 HD23 LEU 10 HD23 LEU 10 3.646 1.956 -6.192 81 H TRP 11 HN TRP 11 4.879 7.914 -7.171 82 HA TRP 11 HA TRP 11 5.286 9.790 -5.052 83 HB2 TRP 11 HB2 TRP 11 5.092 10.091 -8.059 84 HB3 TRP 11 HB3 TRP 11 5.327 11.458 -7.007 85 HD1 TRP 11 HD1 TRP 11 7.209 8.787 -8.749 86 HE1 TRP 11 HE1 TRP 11 9.663 8.868 -8.205 87 HE3 TRP 11 HE3 TRP 11 7.047 12.066 -4.790 88 HZ2 TRP 11 HZ2 TRP 11 11.361 9.944 -6.041 89 HZ3 TRP 11 HZ3 TRP 11 9.158 12.631 -3.558 90 HH2 TRP 11 HH2 TRP 11 11.252 11.464 -4.099 91 H ALA 12 HN ALA 12 2.291 8.851 -6.704 92 HA ALA 12 HA ALA 12 0.943 11.319 -6.461 93 HB1 ALA 12 HB1 ALA 12 -0.259 8.512 -6.435 94 HB2 ALA 12 HB2 ALA 12 -1.090 9.994 -6.829 95 HB3 ALA 12 HB3 ALA 12 0.197 9.413 -7.897 96 H ILE 13 HN ILE 13 1.255 8.588 -4.201 97 HA ILE 13 HA ILE 13 -0.551 9.572 -2.184 98 HB ILE 13 HB ILE 13 1.861 7.713 -1.888 99 HG12 ILE 13 HG12 ILE 13 -0.090 5.934 -1.704 100 HG13 ILE 13 HG13 ILE 13 -1.012 7.098 -2.641 101 HG21 ILE 13 HG21 ILE 13 0.734 6.914 0.125 102 HG22 ILE 13 HG22 ILE 13 0.986 8.655 0.237 103 HG23 ILE 13 HG23 ILE 13 -0.625 8.028 -0.172 104 HD11 ILE 13 HD11 ILE 13 0.042 5.294 -4.000 105 HD12 ILE 13 HD12 ILE 13 0.627 6.888 -4.466 106 HD13 ILE 13 HD13 ILE 13 1.643 5.829 -3.457 107 H LEU 14 HN LEU 14 2.819 10.083 -3.024 108 HA LEU 14 HA LEU 14 3.571 11.128 -0.436 109 HB2 LEU 14 HB2 LEU 14 4.995 10.928 -3.130 110 HB3 LEU 14 HB3 LEU 14 5.774 11.509 -1.670 111 HG LEU 14 HG LEU 14 4.446 8.759 -1.782 112 HD11 LEU 14 HD11 LEU 14 7.143 9.570 -2.795 113 HD12 LEU 14 HD12 LEU 14 6.064 8.334 -3.382 114 HD13 LEU 14 HD13 LEU 14 7.010 8.024 -1.923 115 HD21 LEU 14 HD21 LEU 14 5.858 8.311 0.126 116 HD22 LEU 14 HD22 LEU 14 4.863 9.745 0.410 117 HD23 LEU 14 HD23 LEU 14 6.597 9.934 0.018 118 H LYS 15 HN LYS 15 3.294 12.570 -3.702 119 HA LYS 15 HA LYS 15 3.898 15.220 -2.890 120 HB2 LYS 15 HB2 LYS 15 2.447 14.034 -5.310 121 HB3 LYS 15 HB3 LYS 15 2.979 15.717 -5.187 122 HG2 LYS 15 HG2 LYS 15 4.860 13.298 -5.076 123 HG3 LYS 15 HG3 LYS 15 4.466 14.205 -6.525 124 HD2 LYS 15 HD2 LYS 15 5.256 16.303 -5.194 125 HD3 LYS 15 HD3 LYS 15 5.864 15.136 -4.014 126 HE2 LYS 15 HE2 LYS 15 7.645 15.911 -5.532 127 HE3 LYS 15 HE3 LYS 15 7.390 14.181 -5.707 128 HZ1 LYS 15 HZ1 LYS 15 7.441 15.924 -7.741 129 HZ2 LYS 15 HZ2 LYS 15 5.802 15.716 -7.543 130 HZ3 LYS 15 HZ3 LYS 15 6.845 14.445 -7.814 131 H ASP 16 HN ASP 16 0.758 14.611 -4.492 132 HA ASP 16 HA ASP 16 -1.025 15.269 -2.406 133 HB2 ASP 16 HB2 ASP 16 -1.442 17.560 -3.106 134 HB3 ASP 16 HB3 ASP 16 0.017 17.368 -2.210 135 H GLU 17 HN GLU 17 -0.839 13.509 -4.902 136 HA GLU 17 HA GLU 17 -2.957 14.597 -6.591 137 HB2 GLU 17 HB2 GLU 17 -1.237 13.681 -7.837 138 HB3 GLU 17 HB3 GLU 17 -0.949 12.363 -6.708 139 HG2 GLU 17 HG2 GLU 17 -2.864 11.206 -7.286 140 HG3 GLU 17 HG3 GLU 17 -3.594 12.608 -8.114 141 H LEU 18 HN LEU 18 -2.284 11.469 -4.905 142 HA LEU 18 HA LEU 18 -5.096 10.854 -4.651 143 HB2 LEU 18 HB2 LEU 18 -2.549 9.678 -3.578 144 HB3 LEU 18 HB3 LEU 18 -4.029 9.219 -2.771 145 HG LEU 18 HG LEU 18 -4.013 8.997 -5.750 146 HD11 LEU 18 HD11 LEU 18 -2.914 6.933 -5.732 147 HD12 LEU 18 HD12 LEU 18 -2.763 7.002 -3.937 148 HD13 LEU 18 HD13 LEU 18 -1.889 8.160 -4.986 149 HD21 LEU 18 HD21 LEU 18 -5.792 8.146 -3.737 150 HD22 LEU 18 HD22 LEU 18 -5.099 6.651 -4.432 151 HD23 LEU 18 HD23 LEU 18 -5.894 7.826 -5.458 152 H SER 19 HN SER 19 -6.049 10.446 -2.649 153 HA SER 19 HA SER 19 -5.530 12.579 -0.599 154 HB2 SER 19 HB2 SER 19 -7.786 12.753 -1.718 155 HB3 SER 19 HB3 SER 19 -8.196 11.185 -0.968 156 HG SER 19 HG SER 19 -8.862 12.499 0.537 157 H ASP 20 HN ASP 20 -6.680 11.614 1.538 158 HA ASP 20 HA ASP 20 -4.858 9.608 2.488 159 HB2 ASP 20 HB2 ASP 20 -6.231 9.677 4.607 160 HB3 ASP 20 HB3 ASP 20 -5.436 11.123 4.087 161 H ALA 21 HN ALA 21 -8.453 9.395 2.420 162 HA ALA 21 HA ALA 21 -8.629 6.621 2.647 163 HB1 ALA 21 HB1 ALA 21 -10.915 6.908 1.914 164 HB2 ALA 21 HB2 ALA 21 -10.489 8.313 2.911 165 HB3 ALA 21 HB3 ALA 21 -10.535 8.469 1.153 166 H GLU 22 HN GLU 22 -8.475 8.609 -0.287 167 HA GLU 22 HA GLU 22 -9.085 6.542 -2.132 168 HB2 GLU 22 HB2 GLU 22 -7.518 9.120 -2.513 169 HB3 GLU 22 HB3 GLU 22 -8.109 8.092 -3.837 170 HG2 GLU 22 HG2 GLU 22 -10.410 8.411 -3.088 171 HG3 GLU 22 HG3 GLU 22 -9.870 9.398 -1.726 172 H ALA 23 HN ALA 23 -5.980 7.669 -0.783 173 HA ALA 23 HA ALA 23 -4.300 6.191 -2.524 174 HB1 ALA 23 HB1 ALA 23 -2.607 6.302 -0.692 175 HB2 ALA 23 HB2 ALA 23 -3.335 7.866 -1.067 176 HB3 ALA 23 HB3 ALA 23 -3.847 6.968 0.396 177 H ASN 24 HN ASN 24 -6.188 5.243 0.359 178 HA ASN 24 HA ASN 24 -4.853 2.724 0.873 179 HB2 ASN 24 HB2 ASN 24 -7.747 3.405 1.490 180 HB3 ASN 24 HB3 ASN 24 -6.799 2.072 2.135 181 HD21 ASN 24 HD21 ASN 24 -8.266 4.285 3.594 182 HD22 ASN 24 HD22 ASN 24 -7.030 5.100 4.480 183 H ALA 25 HN ALA 25 -7.565 3.738 -1.198 184 HA ALA 25 HA ALA 25 -8.659 1.254 -1.774 185 HB1 ALA 25 HB1 ALA 25 -8.379 3.529 -3.769 186 HB2 ALA 25 HB2 ALA 25 -9.570 2.231 -3.793 187 HB3 ALA 25 HB3 ALA 25 -9.625 3.448 -2.489 188 H LEU 26 HN LEU 26 -5.913 2.851 -3.500 189 HA LEU 26 HA LEU 26 -5.618 0.770 -5.415 190 HB2 LEU 26 HB2 LEU 26 -3.571 2.749 -4.360 191 HB3 LEU 26 HB3 LEU 26 -3.475 1.820 -5.857 192 HG LEU 26 HG LEU 26 -5.526 3.977 -5.170 193 HD11 LEU 26 HD11 LEU 26 -3.240 4.706 -5.760 194 HD12 LEU 26 HD12 LEU 26 -4.463 5.256 -6.923 195 HD13 LEU 26 HD13 LEU 26 -3.401 3.886 -7.332 196 HD21 LEU 26 HD21 LEU 26 -6.685 2.304 -6.554 197 HD22 LEU 26 HD22 LEU 26 -5.344 2.321 -7.725 198 HD23 LEU 26 HD23 LEU 26 -6.366 3.751 -7.488 199 H VAL 27 HN VAL 27 -4.453 0.926 -2.079 200 HA VAL 27 HA VAL 27 -2.681 -1.383 -2.391 201 HB VAL 27 HB VAL 27 -3.949 -0.198 0.117 202 HG11 VAL 27 HG11 VAL 27 -2.069 -1.474 1.262 203 HG12 VAL 27 HG12 VAL 27 -3.374 -2.477 0.609 204 HG13 VAL 27 HG13 VAL 27 -1.836 -2.349 -0.253 205 HG21 VAL 27 HG21 VAL 27 -2.360 1.367 -0.999 206 HG22 VAL 27 HG22 VAL 27 -1.762 0.781 0.549 207 HG23 VAL 27 HG23 VAL 27 -1.106 0.107 -0.959 208 H TRP 28 HN TRP 28 -6.079 -0.847 -1.276 209 HA TRP 28 HA TRP 28 -6.698 -3.489 -0.623 210 HB2 TRP 28 HB2 TRP 28 -8.579 -1.472 -1.906 211 HB3 TRP 28 HB3 TRP 28 -9.048 -2.866 -0.988 212 HD1 TRP 28 HD1 TRP 28 -6.700 -2.046 1.374 213 HE1 TRP 28 HE1 TRP 28 -7.415 -0.248 3.085 214 HE3 TRP 28 HE3 TRP 28 -10.702 -0.024 -1.129 215 HZ2 TRP 28 HZ2 TRP 28 -9.291 1.892 3.235 216 HZ3 TRP 28 HZ3 TRP 28 -11.848 1.980 -0.233 217 HH2 TRP 28 HH2 TRP 28 -11.086 2.999 1.918 218 H GLN 29 HN GLN 29 -7.045 -1.908 -3.850 219 HA GLN 29 HA GLN 29 -8.100 -4.250 -5.121 220 HB2 GLN 29 HB2 GLN 29 -7.311 -3.195 -7.283 221 HB3 GLN 29 HB3 GLN 29 -8.429 -2.262 -6.307 222 HG2 GLN 29 HG2 GLN 29 -6.709 -0.829 -5.614 223 HG3 GLN 29 HG3 GLN 29 -5.430 -1.820 -6.289 224 HE21 GLN 29 HE21 GLN 29 -8.471 -0.284 -7.414 225 HE22 GLN 29 HE22 GLN 29 -7.785 0.349 -8.912 226 H ALA 30 HN ALA 30 -4.680 -3.166 -4.813 227 HA ALA 30 HA ALA 30 -3.564 -5.169 -6.508 228 HB1 ALA 30 HB1 ALA 30 -2.326 -3.182 -5.743 229 HB2 ALA 30 HB2 ALA 30 -2.328 -3.842 -4.081 230 HB3 ALA 30 HB3 ALA 30 -1.470 -4.700 -5.392 231 H LEU 31 HN LEU 31 -4.479 -5.391 -3.044 232 HA LEU 31 HA LEU 31 -3.349 -8.089 -2.800 233 HB2 LEU 31 HB2 LEU 31 -5.401 -6.544 -1.208 234 HB3 LEU 31 HB3 LEU 31 -5.197 -8.263 -1.001 235 HG LEU 31 HG LEU 31 -3.993 -7.322 0.743 236 HD11 LEU 31 HD11 LEU 31 -1.843 -7.948 -1.304 237 HD12 LEU 31 HD12 LEU 31 -2.745 -9.145 -0.346 238 HD13 LEU 31 HD13 LEU 31 -1.695 -7.965 0.448 239 HD21 LEU 31 HD21 LEU 31 -3.967 -5.063 -0.055 240 HD22 LEU 31 HD22 LEU 31 -2.710 -5.451 -1.246 241 HD23 LEU 31 HD23 LEU 31 -2.329 -5.540 0.485 242 H GLY 32 HN GLY 32 -6.573 -6.727 -3.475 243 HA2 GLY 32 HA2 GLY 32 -7.578 -8.016 -5.464 244 HA3 GLY 32 HA1 GLY 32 -7.523 -9.404 -4.396 245 H TYR 33 HN TYR 33 -8.125 -6.679 -2.450 246 HA TYR 33 HA TYR 33 -10.956 -7.294 -2.107 247 HB2 TYR 33 HB2 TYR 33 -9.280 -5.134 -0.845 248 HB3 TYR 33 HB3 TYR 33 -10.846 -5.716 -0.310 249 HD1 TYR 33 HD1 TYR 33 -11.030 -7.876 0.941 250 HD2 TYR 33 HD2 TYR 33 -7.267 -6.144 -0.241 251 HE1 TYR 33 HE1 TYR 33 -9.925 -9.044 2.795 252 HE2 TYR 33 HE2 TYR 33 -6.096 -7.394 1.521 253 HH TYR 33 HH TYR 33 -7.811 -8.703 4.160 254 H VAL 34 HN VAL 34 -10.662 -6.538 -4.585 255 HA VAL 34 HA VAL 34 -11.418 -3.752 -5.066 256 HB VAL 34 HB VAL 34 -10.522 -4.697 -6.964 257 HG11 VAL 34 HG11 VAL 34 -11.468 -6.969 -7.888 258 HG12 VAL 34 HG12 VAL 34 -10.264 -6.986 -6.605 259 HG13 VAL 34 HG13 VAL 34 -11.960 -7.228 -6.185 260 HG21 VAL 34 HG21 VAL 34 -13.491 -5.289 -7.379 261 HG22 VAL 34 HG22 VAL 34 -12.789 -3.643 -7.387 262 HG23 VAL 34 HG23 VAL 34 -12.283 -4.832 -8.595 263 H TRP 35 HN TRP 35 -13.353 -2.897 -4.786 264 HA TRP 35 HA TRP 35 -15.478 -4.260 -3.358 265 HB2 TRP 35 HB2 TRP 35 -15.169 -1.868 -3.049 266 HB3 TRP 35 HB3 TRP 35 -15.284 -1.562 -4.771 267 HD1 TRP 35 HD1 TRP 35 -17.683 -1.238 -5.765 268 HE1 TRP 35 HE1 TRP 35 -20.041 -1.129 -4.798 269 HE3 TRP 35 HE3 TRP 35 -16.700 -3.079 -1.094 270 HZ2 TRP 35 HZ2 TRP 35 -21.380 -1.933 -2.362 271 HZ3 TRP 35 HZ3 TRP 35 -18.543 -3.419 0.526 272 HH2 TRP 35 HH2 TRP 35 -20.884 -2.878 -0.111 273 H ASP 36 HN ASP 36 -16.982 -5.470 -4.235 274 HA ASP 36 HA ASP 36 -17.558 -5.209 -7.159 275 HB2 ASP 36 HB2 ASP 36 -17.396 -7.634 -5.547 276 HB3 ASP 36 HB3 ASP 36 -18.978 -7.464 -6.209 277 H GLU 37 HN GLU 37 -18.966 -3.756 -7.424 278 HA GLU 37 HA GLU 37 -20.976 -2.892 -5.634 279 HB2 GLU 37 HB2 GLU 37 -20.105 -1.473 -7.261 280 HB3 GLU 37 HB3 GLU 37 -20.325 -2.606 -8.569 281 HG2 GLU 37 HG2 GLU 37 -22.562 -2.065 -8.899 282 HG3 GLU 37 HG3 GLU 37 -22.792 -1.553 -7.216 283 H ALA 38 HN ALA 38 -21.025 -5.401 -8.144 284 HA ALA 38 HA ALA 38 -23.870 -5.724 -8.264 285 HB1 ALA 38 HB1 ALA 38 -22.315 -6.676 -9.981 286 HB2 ALA 38 HB2 ALA 38 -21.675 -7.803 -8.761 287 HB3 ALA 38 HB3 ALA 38 -23.365 -7.910 -9.283 288 H GLN 39 HN GLN 39 -21.314 -7.178 -6.284 289 HA GLN 39 HA GLN 39 -23.156 -8.986 -4.932 290 HB2 GLN 39 HB2 GLN 39 -20.180 -8.585 -4.592 291 HB3 GLN 39 HB3 GLN 39 -21.150 -9.816 -3.787 292 HG2 GLN 39 HG2 GLN 39 -21.774 -10.813 -5.937 293 HG3 GLN 39 HG3 GLN 39 -20.790 -9.597 -6.761 294 HE21 GLN 39 HE21 GLN 39 -18.691 -10.118 -7.199 295 HE22 GLN 39 HE22 GLN 39 -17.855 -11.512 -6.495 296 H SER 40 HN SER 40 -22.236 -5.802 -4.674 297 HA SER 40 HA SER 40 -21.826 -4.260 -3.230 298 HB2 SER 40 HB2 SER 40 -23.586 -3.696 -1.754 299 HB3 SER 40 HB3 SER 40 -24.336 -4.572 -3.111 300 HG SER 40 HG SER 40 -23.532 -5.726 -0.677 301 H CYS 41 HN CYS 41 -19.815 -6.006 -2.919 302 HA CYS 41 HA CYS 41 -19.298 -5.832 -0.038 303 HB2 CYS 41 HB2 CYS 41 -18.862 -8.150 0.371 304 HB3 CYS 41 HB3 CYS 41 -20.492 -8.005 -0.273 305 HG CYS 41 HG CYS 41 -19.468 -10.170 -1.203 306 H TRP 42 HN TRP 42 -17.139 -6.655 0.544 307 HA TRP 42 HA TRP 42 -15.073 -5.833 -1.379 308 HB2 TRP 42 HB2 TRP 42 -14.943 -6.901 1.476 309 HB3 TRP 42 HB3 TRP 42 -13.569 -6.304 0.544 310 HD1 TRP 42 HD1 TRP 42 -16.151 -5.166 2.927 311 HE1 TRP 42 HE1 TRP 42 -16.376 -2.635 2.993 312 HE3 TRP 42 HE3 TRP 42 -13.495 -4.041 -1.286 313 HZ2 TRP 42 HZ2 TRP 42 -15.292 -0.355 1.521 314 HZ3 TRP 42 HZ3 TRP 42 -13.015 -1.693 -1.885 315 HH2 TRP 42 HH2 TRP 42 -13.946 0.163 -0.527 316 H LYS 43 HN LYS 43 -14.557 -7.331 -2.957 317 HA LYS 43 HA LYS 43 -15.145 -10.118 -2.684 318 HB2 LYS 43 HB2 LYS 43 -13.239 -8.643 -4.534 319 HB3 LYS 43 HB3 LYS 43 -13.456 -10.409 -4.569 320 HG2 LYS 43 HG2 LYS 43 -15.942 -10.041 -4.789 321 HG3 LYS 43 HG3 LYS 43 -15.578 -8.311 -4.964 322 HD2 LYS 43 HD2 LYS 43 -14.377 -10.464 -6.742 323 HD3 LYS 43 HD3 LYS 43 -15.909 -9.659 -7.110 324 HE2 LYS 43 HE2 LYS 43 -14.576 -7.434 -6.742 325 HE3 LYS 43 HE3 LYS 43 -13.154 -8.487 -6.915 326 HZ1 LYS 43 HZ1 LYS 43 -13.742 -7.520 -9.031 327 HZ2 LYS 43 HZ2 LYS 43 -15.296 -7.995 -8.884 328 HZ3 LYS 43 HZ3 LYS 43 -14.115 -9.134 -9.111 329 H THR 44 HN THR 44 -13.903 -11.873 -2.195 330 HA THR 44 HA THR 44 -11.168 -11.345 -1.197 331 HB THR 44 HB THR 44 -11.649 -13.016 0.636 332 HG1 THR 44 HG1 THR 44 -13.956 -13.286 -0.422 333 HG21 THR 44 HG21 THR 44 -11.248 -10.681 1.100 334 HG22 THR 44 HG22 THR 44 -12.505 -11.326 2.174 335 HG23 THR 44 HG23 THR 44 -12.958 -10.292 0.808 336 H ASP 45 HN ASP 45 -11.973 -12.222 -3.754 337 HA ASP 45 HA ASP 45 -11.184 -15.129 -3.701 338 HB2 ASP 45 HB2 ASP 45 -12.658 -13.463 -5.748 339 HB3 ASP 45 HB3 ASP 45 -11.976 -15.056 -6.092 340 H LEU 46 HN LEU 46 -10.475 -12.012 -5.288 341 HA LEU 46 HA LEU 46 -8.278 -13.114 -6.816 342 HB2 LEU 46 HB2 LEU 46 -9.210 -10.258 -6.361 343 HB3 LEU 46 HB3 LEU 46 -7.928 -10.734 -7.477 344 HG LEU 46 HG LEU 46 -10.809 -11.633 -7.714 345 HD11 LEU 46 HD11 LEU 46 -9.199 -9.802 -9.513 346 HD12 LEU 46 HD12 LEU 46 -10.319 -9.202 -8.255 347 HD13 LEU 46 HD13 LEU 46 -10.921 -10.155 -9.624 348 HD21 LEU 46 HD21 LEU 46 -8.304 -12.189 -9.382 349 HD22 LEU 46 HD22 LEU 46 -9.936 -12.336 -10.051 350 HD23 LEU 46 HD23 LEU 46 -9.461 -13.347 -8.701 351 H VAL 47 HN VAL 47 -8.282 -12.933 -3.695 352 HA VAL 47 HA VAL 47 -5.692 -11.599 -3.240 353 HB VAL 47 HB VAL 47 -7.363 -10.147 -2.361 354 HG11 VAL 47 HG11 VAL 47 -9.073 -10.957 -0.682 355 HG12 VAL 47 HG12 VAL 47 -9.340 -11.060 -2.425 356 HG13 VAL 47 HG13 VAL 47 -8.859 -12.517 -1.540 357 HG21 VAL 47 HG21 VAL 47 -6.987 -10.011 -0.024 358 HG22 VAL 47 HG22 VAL 47 -6.591 -11.730 0.094 359 HG23 VAL 47 HG23 VAL 47 -5.486 -10.612 -0.746 360 H ALA 48 HN ALA 48 -4.386 -12.490 -1.505 361 HA ALA 48 HA ALA 48 -4.360 -15.343 -1.551 362 HB1 ALA 48 HB1 ALA 48 -2.788 -13.406 0.210 363 HB2 ALA 48 HB2 ALA 48 -2.393 -15.110 -0.097 364 HB3 ALA 48 HB3 ALA 48 -2.312 -13.943 -1.420 365 HA PRO 49 HA PRO 49 -6.915 -16.254 1.982 366 HB2 PRO 49 HB2 PRO 49 -5.996 -18.646 2.803 367 HB3 PRO 49 HB3 PRO 49 -6.863 -18.411 1.249 368 HG2 PRO 49 HG2 PRO 49 -3.899 -18.611 1.735 369 HG3 PRO 49 HG3 PRO 49 -4.866 -19.397 0.446 370 HD2 PRO 49 HD2 PRO 49 -3.426 -17.083 0.070 371 HD3 PRO 49 HD3 PRO 49 -4.913 -17.427 -0.840 372 H GLU 50 HN GLU 50 -3.396 -15.922 2.448 373 HA GLU 50 HA GLU 50 -3.627 -15.841 5.323 374 HB2 GLU 50 HB2 GLU 50 -1.450 -14.969 5.412 375 HB3 GLU 50 HB3 GLU 50 -1.508 -16.253 4.211 376 HG2 GLU 50 HG2 GLU 50 -1.557 -14.526 2.402 377 HG3 GLU 50 HG3 GLU 50 -1.427 -13.266 3.627 378 H TRP 51 HN TRP 51 -4.380 -13.494 2.810 379 HA TRP 51 HA TRP 51 -4.419 -11.265 4.742 380 HB2 TRP 51 HB2 TRP 51 -4.635 -11.534 1.754 381 HB3 TRP 51 HB3 TRP 51 -5.355 -10.146 2.530 382 HD1 TRP 51 HD1 TRP 51 -2.001 -11.625 1.682 383 HE1 TRP 51 HE1 TRP 51 -0.149 -9.983 2.160 384 HE3 TRP 51 HE3 TRP 51 -4.749 -8.077 4.224 385 HZ2 TRP 51 HZ2 TRP 51 0.116 -7.321 3.385 386 HZ3 TRP 51 HZ3 TRP 51 -3.648 -6.036 5.045 387 HH2 TRP 51 HH2 TRP 51 -1.242 -5.614 4.590 388 H ARG 52 HN ARG 52 -6.775 -12.835 2.521 389 HA ARG 52 HA ARG 52 -8.969 -11.369 3.638 390 HB2 ARG 52 HB2 ARG 52 -10.424 -12.793 2.379 391 HB3 ARG 52 HB3 ARG 52 -9.055 -12.229 1.418 392 HG2 ARG 52 HG2 ARG 52 -8.234 -14.736 2.447 393 HG3 ARG 52 HG3 ARG 52 -9.939 -14.966 2.083 394 HD2 ARG 52 HD2 ARG 52 -9.465 -13.934 -0.222 395 HD3 ARG 52 HD3 ARG 52 -7.813 -13.868 0.204 396 HE ARG 52 HE ARG 52 -7.553 -16.009 -0.451 397 HH11 ARG 52 HH11 ARG 52 -11.025 -15.628 -0.109 398 HH12 ARG 52 HH12 ARG 52 -11.384 -17.245 -0.494 399 HH21 ARG 52 HH21 ARG 52 -8.014 -18.236 -0.867 400 HH22 ARG 52 HH22 ARG 52 -9.602 -18.834 -0.557 401 H GLN 53 HN GLN 53 -7.316 -13.850 5.122 402 HA GLN 53 HA GLN 53 -8.999 -15.707 6.043 403 HB2 GLN 53 HB2 GLN 53 -6.381 -14.793 6.612 404 HB3 GLN 53 HB3 GLN 53 -7.160 -14.822 8.187 405 HG2 GLN 53 HG2 GLN 53 -7.696 -17.145 7.974 406 HG3 GLN 53 HG3 GLN 53 -7.325 -17.155 6.243 407 HE21 GLN 53 HE21 GLN 53 -5.278 -17.441 5.585 408 HE22 GLN 53 HE22 GLN 53 -3.891 -17.848 6.620 409 H ASP 54 HN ASP 54 -8.496 -12.638 7.821 410 HA ASP 54 HA ASP 54 -11.044 -13.075 9.272 411 HB2 ASP 54 HB2 ASP 54 -8.230 -12.858 10.350 412 HB3 ASP 54 HB3 ASP 54 -9.499 -12.035 11.243 413 H TYR 55 HN TYR 55 -10.209 -11.455 6.966 414 HA TYR 55 HA TYR 55 -10.268 -8.631 7.936 415 HB2 TYR 55 HB2 TYR 55 -9.031 -9.925 5.516 416 HB3 TYR 55 HB3 TYR 55 -9.543 -8.247 5.473 417 HD1 TYR 55 HD2 TYR 55 -7.626 -10.408 7.928 418 HD2 TYR 55 HD1 TYR 55 -7.818 -6.634 5.783 419 HE1 TYR 55 HE2 TYR 55 -5.679 -9.593 9.168 420 HE2 TYR 55 HE1 TYR 55 -5.883 -5.864 6.971 421 HH TYR 55 HH TYR 55 -4.900 -6.241 9.088 422 HA PRO 56 HA PRO 56 -14.373 -9.411 5.881 423 HB2 PRO 56 HB2 PRO 56 -15.989 -8.092 7.657 424 HB3 PRO 56 HB3 PRO 56 -15.396 -9.749 7.957 425 HG2 PRO 56 HG2 PRO 56 -14.241 -7.156 9.007 426 HG3 PRO 56 HG3 PRO 56 -14.624 -8.641 9.927 427 HD2 PRO 56 HD2 PRO 56 -12.113 -8.094 9.018 428 HD3 PRO 56 HD3 PRO 56 -12.737 -9.773 9.063 429 H GLU 57 HN GLU 57 -12.443 -6.624 6.615 430 HA GLU 57 HA GLU 57 -14.025 -4.852 4.885 431 HB2 GLU 57 HB2 GLU 57 -13.450 -4.566 7.850 432 HB3 GLU 57 HB3 GLU 57 -13.400 -3.124 6.853 433 HG2 GLU 57 HG2 GLU 57 -15.716 -3.795 5.979 434 HG3 GLU 57 HG3 GLU 57 -15.778 -4.906 7.367 435 HA PRO 58 HA PRO 58 -10.045 -3.578 3.750 436 HB2 PRO 58 HB2 PRO 58 -10.213 -0.771 3.681 437 HB3 PRO 58 HB3 PRO 58 -10.659 -1.896 2.367 438 HG2 PRO 58 HG2 PRO 58 -12.421 -0.521 4.353 439 HG3 PRO 58 HG3 PRO 58 -12.755 -0.971 2.635 440 HD2 PRO 58 HD2 PRO 58 -13.730 -2.368 4.776 441 HD3 PRO 58 HD3 PRO 58 -13.314 -3.140 3.222 442 HA PRO 59 HA PRO 59 -7.737 -2.180 7.315 443 HB2 PRO 59 HB2 PRO 59 -5.264 -1.846 6.220 444 HB3 PRO 59 HB3 PRO 59 -6.026 -3.453 6.514 445 HG2 PRO 59 HG2 PRO 59 -5.951 -1.910 3.912 446 HG3 PRO 59 HG3 PRO 59 -5.552 -3.635 4.202 447 HD2 PRO 59 HD2 PRO 59 -8.001 -2.800 3.331 448 HD3 PRO 59 HD3 PRO 59 -7.792 -4.204 4.418 449 H ASP 60 HN ASP 60 -8.237 -0.054 7.979 450 HA ASP 60 HA ASP 60 -7.817 2.335 6.397 451 HB2 ASP 60 HB2 ASP 60 -8.331 1.659 9.329 452 HB3 ASP 60 HB3 ASP 60 -7.796 3.251 8.852 453 H PHE 61 HN PHE 61 -5.575 2.035 5.617 454 HA PHE 61 HA PHE 61 -3.428 1.831 7.579 455 HB2 PHE 61 HB2 PHE 61 -3.337 3.075 4.810 456 HB3 PHE 61 HB3 PHE 61 -1.951 2.687 5.814 457 HD1 PHE 61 HD2 PHE 61 -1.371 0.295 6.340 458 HD2 PHE 61 HD1 PHE 61 -4.429 1.364 3.479 459 HE1 PHE 61 HE2 PHE 61 -1.311 -2.009 5.409 460 HE2 PHE 61 HE1 PHE 61 -4.335 -0.920 2.543 461 HZ PHE 61 HZ PHE 61 -2.819 -2.614 3.523 462 H ILE 62 HN ILE 62 -5.555 4.405 6.601 463 HA ILE 62 HA ILE 62 -3.876 6.594 7.469 464 HB ILE 62 HB ILE 62 -6.869 6.388 6.955 465 HG12 ILE 62 HG12 ILE 62 -5.545 5.967 4.963 466 HG13 ILE 62 HG13 ILE 62 -6.481 7.427 4.826 467 HG21 ILE 62 HG21 ILE 62 -5.189 8.881 7.419 468 HG22 ILE 62 HG22 ILE 62 -6.831 8.860 6.723 469 HG23 ILE 62 HG23 ILE 62 -6.587 8.295 8.365 470 HD11 ILE 62 HD11 ILE 62 -3.488 7.167 5.266 471 HD12 ILE 62 HD12 ILE 62 -4.286 7.738 3.820 472 HD13 ILE 62 HD13 ILE 62 -4.318 8.726 5.294 473 H ALA 63 HN ALA 63 -6.462 4.674 8.964 474 HA ALA 63 HA ALA 63 -6.313 6.360 11.409 475 HB1 ALA 63 HB1 ALA 63 -8.667 4.960 10.087 476 HB2 ALA 63 HB2 ALA 63 -8.710 5.903 11.580 477 HB3 ALA 63 HB3 ALA 63 -8.309 6.698 10.046 478 H SER 64 HN SER 64 -4.983 3.517 10.668 479 HA SER 64 HA SER 64 -5.193 2.538 13.356 480 HB2 SER 64 HB2 SER 64 -7.212 1.649 11.814 481 HB3 SER 64 HB3 SER 64 -5.972 0.563 11.200 482 HG SER 64 HG SER 64 -7.292 -0.149 13.027 483 H ARG 65 HN ARG 65 -3.601 0.494 13.484 484 HA ARG 65 HA ARG 65 -2.058 0.227 11.070 485 HB2 ARG 65 HB2 ARG 65 0.170 0.506 12.006 486 HB3 ARG 65 HB3 ARG 65 -0.787 1.962 12.040 487 HG2 ARG 65 HG2 ARG 65 0.370 2.042 14.028 488 HG3 ARG 65 HG3 ARG 65 -1.228 1.523 14.533 489 HD2 ARG 65 HD2 ARG 65 -0.345 -0.848 14.658 490 HD3 ARG 65 HD3 ARG 65 1.197 -0.279 14.084 491 HE ARG 65 HE ARG 65 -0.024 -0.163 16.727 492 HH11 ARG 65 HH11 ARG 65 2.615 1.444 14.840 493 HH12 ARG 65 HH12 ARG 65 3.510 1.745 16.293 494 HH21 ARG 65 HH21 ARG 65 1.477 -0.080 18.448 495 HH22 ARG 65 HH22 ARG 65 2.908 0.921 18.272 496 HA PRO 66 HA PRO 66 -2.256 -3.876 13.241 497 HB2 PRO 66 HB2 PRO 66 -4.471 -5.036 12.095 498 HB3 PRO 66 HB3 PRO 66 -4.472 -4.224 13.688 499 HG2 PRO 66 HG2 PRO 66 -5.325 -3.064 11.022 500 HG3 PRO 66 HG3 PRO 66 -6.149 -2.937 12.606 501 HD2 PRO 66 HD2 PRO 66 -4.565 -0.985 11.585 502 HD3 PRO 66 HD3 PRO 66 -4.602 -1.331 13.341 503 H ALA 67 HN ALA 67 -3.661 -3.185 9.994 504 HA ALA 67 HA ALA 67 -2.516 -5.366 8.675 505 HB1 ALA 67 HB1 ALA 67 -3.273 -2.670 7.476 506 HB2 ALA 67 HB2 ALA 67 -3.051 -4.189 6.587 507 HB3 ALA 67 HB3 ALA 67 -4.356 -4.047 7.764 508 H THR 68 HN THR 68 -0.948 -2.367 9.512 509 HA THR 68 HA THR 68 1.252 -2.321 7.822 510 HB THR 68 HB THR 68 0.980 -1.740 10.798 511 HG1 THR 68 HG1 THR 68 -0.318 -0.658 9.090 512 HG21 THR 68 HG21 THR 68 3.345 -1.846 10.406 513 HG22 THR 68 HG22 THR 68 2.874 -0.137 10.384 514 HG23 THR 68 HG23 THR 68 3.181 -0.993 8.852 515 H VAL 69 HN VAL 69 0.781 -4.533 10.658 516 HA VAL 69 HA VAL 69 3.366 -5.788 10.512 517 HB VAL 69 HB VAL 69 0.643 -6.892 11.354 518 HG11 VAL 69 HG11 VAL 69 2.264 -8.720 11.019 519 HG12 VAL 69 HG12 VAL 69 3.446 -7.879 12.041 520 HG13 VAL 69 HG13 VAL 69 1.934 -8.497 12.739 521 HG21 VAL 69 HG21 VAL 69 2.783 -5.677 13.135 522 HG22 VAL 69 HG22 VAL 69 1.261 -4.843 12.676 523 HG23 VAL 69 HG23 VAL 69 1.219 -6.309 13.644 524 H LYS 70 HN LYS 70 0.257 -6.306 8.865 525 HA LYS 70 HA LYS 70 1.085 -8.789 7.689 526 HB2 LYS 70 HB2 LYS 70 -1.266 -7.798 8.363 527 HB3 LYS 70 HB3 LYS 70 -1.278 -7.105 6.752 528 HG2 LYS 70 HG2 LYS 70 -1.341 -9.259 5.728 529 HG3 LYS 70 HG3 LYS 70 -0.561 -10.005 7.123 530 HD2 LYS 70 HD2 LYS 70 -2.725 -9.447 8.456 531 HD3 LYS 70 HD3 LYS 70 -3.457 -9.097 6.870 532 HE2 LYS 70 HE2 LYS 70 -3.967 -11.368 7.651 533 HE3 LYS 70 HE3 LYS 70 -3.009 -11.413 6.164 534 HZ1 LYS 70 HZ1 LYS 70 -1.669 -11.646 8.767 535 HZ2 LYS 70 HZ2 LYS 70 -1.186 -12.176 7.282 536 HZ3 LYS 70 HZ3 LYS 70 -2.392 -12.942 8.093 537 H LEU 71 HN LEU 71 1.178 -5.401 6.674 538 HA LEU 71 HA LEU 71 2.038 -5.868 3.970 539 HB2 LEU 71 HB2 LEU 71 2.890 -3.619 5.842 540 HB3 LEU 71 HB3 LEU 71 3.172 -3.650 4.125 541 HG LEU 71 HG LEU 71 0.497 -3.487 5.418 542 HD11 LEU 71 HD11 LEU 71 1.801 -1.439 5.699 543 HD12 LEU 71 HD12 LEU 71 0.602 -1.133 4.426 544 HD13 LEU 71 HD13 LEU 71 2.275 -1.467 3.985 545 HD21 LEU 71 HD21 LEU 71 -0.532 -3.124 3.319 546 HD22 LEU 71 HD22 LEU 71 0.416 -4.593 3.135 547 HD23 LEU 71 HD23 LEU 71 1.009 -3.048 2.487 548 H THR 72 HN THR 72 3.881 -5.840 7.139 549 HA THR 72 HA THR 72 6.442 -5.773 6.024 550 HB THR 72 HB THR 72 5.435 -7.137 8.552 551 HG1 THR 72 HG1 THR 72 6.647 -4.609 8.311 552 HG21 THR 72 HG21 THR 72 8.224 -6.280 7.757 553 HG22 THR 72 HG22 THR 72 7.629 -7.924 8.090 554 HG23 THR 72 HG23 THR 72 7.716 -6.739 9.402 555 H ARG 73 HN ARG 73 4.227 -8.450 6.470 556 HA ARG 73 HA ARG 73 5.786 -10.662 5.968 557 HB2 ARG 73 HB2 ARG 73 3.053 -10.239 4.811 558 HB3 ARG 73 HB3 ARG 73 3.919 -11.760 4.952 559 HG2 ARG 73 HG2 ARG 73 2.906 -9.977 7.202 560 HG3 ARG 73 HG3 ARG 73 2.471 -11.626 6.786 561 HD2 ARG 73 HD2 ARG 73 5.021 -10.737 8.077 562 HD3 ARG 73 HD3 ARG 73 3.713 -11.675 8.796 563 HE ARG 73 HE ARG 73 4.379 -13.262 6.695 564 HH11 ARG 73 HH11 ARG 73 6.434 -11.751 9.239 565 HH12 ARG 73 HH12 ARG 73 7.675 -12.939 9.060 566 HH21 ARG 73 HH21 ARG 73 6.159 -14.800 6.487 567 HH22 ARG 73 HH22 ARG 73 7.465 -14.716 7.624 568 H SER 74 HN SER 74 4.258 -8.572 3.521 569 HA SER 74 HA SER 74 5.427 -9.781 1.209 570 HB2 SER 74 HB2 SER 74 4.059 -7.091 1.632 571 HB3 SER 74 HB3 SER 74 4.284 -7.929 0.082 572 HG SER 74 HG SER 74 2.422 -8.732 0.509 573 H ILE 75 HN ILE 75 7.090 -7.955 3.488 574 HA ILE 75 HA ILE 75 8.689 -6.462 1.466 575 HB ILE 75 HB ILE 75 8.157 -5.770 4.368 576 HG12 ILE 75 HG12 ILE 75 7.195 -4.320 1.840 577 HG13 ILE 75 HG13 ILE 75 6.188 -5.403 2.771 578 HG21 ILE 75 HG21 ILE 75 9.393 -3.704 3.910 579 HG22 ILE 75 HG22 ILE 75 10.400 -5.061 3.411 580 HG23 ILE 75 HG23 ILE 75 9.524 -4.142 2.198 581 HD11 ILE 75 HD11 ILE 75 7.312 -2.745 3.643 582 HD12 ILE 75 HD12 ILE 75 5.626 -3.291 3.608 583 HD13 ILE 75 HD13 ILE 75 6.720 -3.936 4.827 584 HA PRO 76 HA PRO 76 11.186 -9.899 3.266 585 HB2 PRO 76 HB2 PRO 76 12.473 -10.722 1.005 586 HB3 PRO 76 HB3 PRO 76 10.715 -11.017 1.198 587 HG2 PRO 76 HG2 PRO 76 11.914 -8.667 -0.216 588 HG3 PRO 76 HG3 PRO 76 10.780 -9.915 -0.871 589 HD2 PRO 76 HD2 PRO 76 9.762 -7.653 0.152 590 HD3 PRO 76 HD3 PRO 76 9.034 -9.228 0.599 591 H ALA 77 HN ALA 77 13.711 -10.241 3.008 592 HA ALA 77 HA ALA 77 14.973 -7.993 4.172 593 HB1 ALA 77 HB1 ALA 77 17.038 -9.410 3.896 594 HB2 ALA 77 HB2 ALA 77 15.676 -10.264 4.653 595 HB3 ALA 77 HB3 ALA 77 16.074 -10.557 2.953 596 HA PRO 78 HA PRO 78 17.058 -7.037 -0.011 597 HB2 PRO 78 HB2 PRO 78 15.809 -7.825 -2.368 598 HB3 PRO 78 HB3 PRO 78 17.095 -8.744 -1.527 599 HG2 PRO 78 HG2 PRO 78 14.082 -9.120 -1.288 600 HG3 PRO 78 HG3 PRO 78 15.316 -10.374 -1.549 601 HD2 PRO 78 HD2 PRO 78 14.458 -10.030 0.865 602 HD3 PRO 78 HD3 PRO 78 16.218 -10.165 0.608 603 H TYR 79 HN TYR 79 13.574 -6.759 0.609 604 HA TYR 79 HA TYR 79 13.416 -4.440 -1.229 605 HB2 TYR 79 HB2 TYR 79 11.103 -6.132 -0.517 606 HB3 TYR 79 HB3 TYR 79 11.117 -4.828 -1.581 607 HD1 TYR 79 HD1 TYR 79 13.864 -5.382 -2.991 608 HD2 TYR 79 HD2 TYR 79 10.422 -7.879 -2.076 609 HE1 TYR 79 HE1 TYR 79 14.330 -6.629 -4.831 610 HE2 TYR 79 HE2 TYR 79 10.871 -9.153 -4.115 611 HH TYR 79 HH TYR 79 13.550 -8.495 -6.342 612 H LYS 80 HN LYS 80 14.492 -3.995 1.236 613 HA LYS 80 HA LYS 80 12.315 -3.029 3.043 614 HB2 LYS 80 HB2 LYS 80 15.356 -2.946 3.349 615 HB3 LYS 80 HB3 LYS 80 14.180 -2.462 4.585 616 HG2 LYS 80 HG2 LYS 80 14.646 -5.260 3.462 617 HG3 LYS 80 HG3 LYS 80 15.078 -4.684 5.061 618 HD2 LYS 80 HD2 LYS 80 12.376 -4.164 5.048 619 HD3 LYS 80 HD3 LYS 80 12.457 -5.522 3.931 620 HE2 LYS 80 HE2 LYS 80 12.222 -6.720 5.850 621 HE3 LYS 80 HE3 LYS 80 13.977 -6.584 5.859 622 HZ1 LYS 80 HZ1 LYS 80 13.068 -5.950 7.994 623 HZ2 LYS 80 HZ2 LYS 80 12.079 -4.831 7.295 624 HZ3 LYS 80 HZ3 LYS 80 13.710 -4.613 7.301 625 H GLN 81 HN GLN 81 14.155 -1.696 0.382 626 HA GLN 81 HA GLN 81 13.814 1.048 1.487 627 HB2 GLN 81 HB2 GLN 81 16.414 -0.007 0.296 628 HB3 GLN 81 HB3 GLN 81 16.109 1.570 1.049 629 HG2 GLN 81 HG2 GLN 81 15.492 0.230 3.191 630 HG3 GLN 81 HG3 GLN 81 16.236 -1.149 2.383 631 HE21 GLN 81 HE21 GLN 81 18.543 -1.082 1.918 632 HE22 GLN 81 HE22 GLN 81 19.525 -0.279 3.132 633 H LEU 82 HN LEU 82 12.324 -0.411 -0.645 634 HA LEU 82 HA LEU 82 13.272 0.167 -3.235 635 HB2 LEU 82 HB2 LEU 82 10.530 -0.358 -2.074 636 HB3 LEU 82 HB3 LEU 82 10.809 0.011 -3.789 637 HG LEU 82 HG LEU 82 10.635 -2.506 -3.002 638 HD11 LEU 82 HD11 LEU 82 13.011 -1.615 -4.717 639 HD12 LEU 82 HD12 LEU 82 11.338 -1.879 -5.370 640 HD13 LEU 82 HD13 LEU 82 12.295 -3.195 -4.639 641 HD21 LEU 82 HD21 LEU 82 12.112 -2.499 -1.335 642 HD22 LEU 82 HD22 LEU 82 13.509 -2.203 -2.481 643 HD23 LEU 82 HD23 LEU 82 12.437 -3.632 -2.727 644 H LEU 83 HN LEU 83 11.529 2.125 -0.931 645 HA LEU 83 HA LEU 83 10.604 4.234 -2.583 646 HB2 LEU 83 HB2 LEU 83 11.778 4.240 0.225 647 HB3 LEU 83 HB3 LEU 83 11.090 5.668 -0.506 648 HG LEU 83 HG LEU 83 9.540 3.078 -0.111 649 HD11 LEU 83 HD11 LEU 83 10.157 4.004 2.044 650 HD12 LEU 83 HD12 LEU 83 8.437 4.279 1.764 651 HD13 LEU 83 HD13 LEU 83 9.612 5.619 1.559 652 HD21 LEU 83 HD21 LEU 83 8.545 4.414 -1.881 653 HD22 LEU 83 HD22 LEU 83 8.664 5.896 -0.900 654 HD23 LEU 83 HD23 LEU 83 7.571 4.575 -0.429 655 H LYS 84 HN LYS 84 13.881 3.292 -1.883 656 HA LYS 84 HA LYS 84 14.884 5.818 -3.100 657 HB2 LYS 84 HB2 LYS 84 15.519 5.580 -0.836 658 HB3 LYS 84 HB3 LYS 84 16.172 3.943 -1.067 659 HG2 LYS 84 HG2 LYS 84 18.010 4.769 -2.306 660 HG3 LYS 84 HG3 LYS 84 17.140 6.224 -2.764 661 HD2 LYS 84 HD2 LYS 84 18.799 6.887 -1.158 662 HD3 LYS 84 HD3 LYS 84 17.236 6.972 -0.304 663 HE2 LYS 84 HE2 LYS 84 17.646 4.883 0.840 664 HE3 LYS 84 HE3 LYS 84 18.945 4.455 -0.273 665 HZ1 LYS 84 HZ1 LYS 84 19.850 5.170 1.783 666 HZ2 LYS 84 HZ2 LYS 84 19.110 6.647 1.691 667 HZ3 LYS 84 HZ3 LYS 84 20.270 6.195 0.584 668 H GLU 85 HN GLU 85 15.191 2.298 -2.984 669 HA GLU 85 HA GLU 85 17.034 1.918 -4.983 670 HB2 GLU 85 HB2 GLU 85 14.530 0.198 -4.883 671 HB3 GLU 85 HB3 GLU 85 16.053 -0.173 -5.662 672 HG2 GLU 85 HG2 GLU 85 17.077 0.118 -3.274 673 HG3 GLU 85 HG3 GLU 85 15.447 -0.223 -2.721 674 H GLU 86 HN GLU 86 13.588 2.715 -5.561 675 HA GLU 86 HA GLU 86 14.276 2.996 -8.463 676 HB2 GLU 86 HB2 GLU 86 11.530 2.615 -7.221 677 HB3 GLU 86 HB3 GLU 86 11.945 2.602 -8.930 678 HG2 GLU 86 HG2 GLU 86 12.578 0.520 -6.805 679 HG3 GLU 86 HG3 GLU 86 11.653 0.330 -8.307 680 H LEU 87 HN LEU 87 12.331 4.545 -5.912 681 HA LEU 87 HA LEU 87 11.629 6.706 -7.727 682 HB2 LEU 87 HB2 LEU 87 11.121 6.636 -4.738 683 HB3 LEU 87 HB3 LEU 87 10.305 7.600 -5.947 684 HG LEU 87 HG LEU 87 10.140 4.576 -5.772 685 HD11 LEU 87 HD11 LEU 87 9.070 5.750 -3.826 686 HD12 LEU 87 HD12 LEU 87 7.954 4.847 -4.853 687 HD13 LEU 87 HD13 LEU 87 8.011 6.601 -4.997 688 HD21 LEU 87 HD21 LEU 87 9.740 5.487 -8.037 689 HD22 LEU 87 HD22 LEU 87 8.514 6.596 -7.375 690 HD23 LEU 87 HD23 LEU 87 8.260 4.841 -7.331 691 H GLY 88 HN GLY 88 13.551 6.493 -4.733 692 HA2 GLY 88 HA2 GLY 88 15.597 7.688 -4.416 693 HA3 GLY 88 HA1 GLY 88 15.044 8.954 -5.505 694 H PHE 89 HN PHE 89 12.776 7.742 -3.063 695 HA PHE 89 HA PHE 89 13.007 10.301 -1.601 696 HB2 PHE 89 HB2 PHE 89 10.833 9.664 -2.237 697 HB3 PHE 89 HB3 PHE 89 10.975 8.074 -1.475 698 HD1 PHE 89 HD2 PHE 89 11.487 11.712 -0.504 699 HD2 PHE 89 HD1 PHE 89 9.693 7.908 0.499 700 HE1 PHE 89 HE2 PHE 89 10.541 12.699 1.542 701 HE2 PHE 89 HE1 PHE 89 8.729 8.923 2.553 702 HZ PHE 89 HZ PHE 89 9.128 11.316 3.061 703 H ALA 90 HN ALA 90 12.778 10.029 0.913 704 HA ALA 90 HA ALA 90 13.887 7.559 1.983 705 HB1 ALA 90 HB1 ALA 90 15.950 8.782 1.709 706 HB2 ALA 90 HB2 ALA 90 15.260 10.192 2.559 707 HB3 ALA 90 HB3 ALA 90 15.538 8.677 3.429 708 H GLY 91 HN GLY 91 12.949 10.954 3.042 709 HA2 GLY 91 HA2 GLY 91 10.770 10.007 4.602 710 HA3 GLY 91 HA1 GLY 91 12.186 10.345 5.614 711 H TYR 92 HN TYR 92 10.204 11.886 6.208 712 HA TYR 92 HA TYR 92 9.890 14.181 4.384 713 HB2 TYR 92 HB2 TYR 92 8.414 13.446 6.945 714 HB3 TYR 92 HB3 TYR 92 7.947 14.690 5.796 715 HD1 TYR 92 HD2 TYR 92 7.025 14.060 3.551 716 HD2 TYR 92 HD1 TYR 92 8.006 10.985 6.474 717 HE1 TYR 92 HE2 TYR 92 5.801 12.357 2.241 718 HE2 TYR 92 HE1 TYR 92 6.930 9.366 5.165 719 HH TYR 92 HH TYR 92 5.626 9.959 1.933 720 H SER 93 HN SER 93 10.202 16.379 4.999 721 HA SER 93 HA SER 93 12.142 17.058 7.010 722 HB2 SER 93 HB2 SER 93 10.899 19.386 6.367 723 HB3 SER 93 HB3 SER 93 12.161 18.659 5.392 724 HG SER 93 HG SER 93 10.795 18.437 3.829 725 H ILE 94 HN ILE 94 11.617 18.432 8.848 726 HA ILE 94 HA ILE 94 9.498 17.423 10.420 727 HB ILE 94 HB ILE 94 11.461 18.456 11.392 728 HG12 ILE 94 HG12 ILE 94 10.357 19.803 13.157 729 HG13 ILE 94 HG13 ILE 94 8.891 19.907 12.221 730 HG21 ILE 94 HG21 ILE 94 11.623 20.397 9.768 731 HG22 ILE 94 HG22 ILE 94 10.288 21.159 10.646 732 HG23 ILE 94 HG23 ILE 94 11.810 20.815 11.476 733 HD11 ILE 94 HD11 ILE 94 8.790 18.184 14.010 734 HD12 ILE 94 HD12 ILE 94 8.526 17.500 12.400 735 HD13 ILE 94 HD13 ILE 94 10.103 17.289 13.205 736 H ASN 95 HN ASN 95 9.592 20.162 8.279 737 HA ASN 95 HA ASN 95 7.202 21.391 9.209 738 HB2 ASN 95 HB2 ASN 95 8.131 21.687 6.352 739 HB3 ASN 95 HB3 ASN 95 7.398 22.880 7.404 740 HD21 ASN 95 HD21 ASN 95 10.210 22.097 5.943 741 HD22 ASN 95 HD22 ASN 95 11.391 22.742 7.055 742 H GLU 96 HN GLU 96 7.764 18.668 7.174 743 HA GLU 96 HA GLU 96 5.057 18.628 5.936 744 HB2 GLU 96 HB2 GLU 96 7.681 17.204 5.282 745 HB3 GLU 96 HB3 GLU 96 6.171 16.992 4.402 746 HG2 GLU 96 HG2 GLU 96 7.727 19.611 4.605 747 HG3 GLU 96 HG3 GLU 96 7.738 18.469 3.263 748 H LEU 97 HN LEU 97 6.694 17.455 8.611 749 HA LEU 97 HA LEU 97 5.982 14.673 8.439 750 HB2 LEU 97 HB2 LEU 97 7.443 16.432 10.294 751 HB3 LEU 97 HB3 LEU 97 6.432 15.291 11.118 752 HG LEU 97 HG LEU 97 8.538 14.592 9.016 753 HD11 LEU 97 HD11 LEU 97 8.555 14.155 12.031 754 HD12 LEU 97 HD12 LEU 97 9.516 15.363 11.158 755 HD13 LEU 97 HD13 LEU 97 9.823 13.652 10.888 756 HD21 LEU 97 HD21 LEU 97 8.203 12.228 9.821 757 HD22 LEU 97 HD22 LEU 97 6.809 12.853 8.970 758 HD23 LEU 97 HD23 LEU 97 6.783 12.788 10.740 759 H VAL 98 HN VAL 98 3.870 14.136 8.390 760 HA VAL 98 HA VAL 98 2.128 15.336 10.455 761 HB VAL 98 HB VAL 98 0.212 15.345 8.897 762 HG11 VAL 98 HG11 VAL 98 1.608 17.362 9.371 763 HG12 VAL 98 HG12 VAL 98 2.412 17.106 7.795 764 HG13 VAL 98 HG13 VAL 98 0.653 17.405 7.873 765 HG21 VAL 98 HG21 VAL 98 2.256 14.967 6.681 766 HG22 VAL 98 HG22 VAL 98 0.916 13.867 7.103 767 HG23 VAL 98 HG23 VAL 98 0.567 15.456 6.451 768 HA PRO 99 HA PRO 99 1.395 11.090 11.303 769 HB2 PRO 99 HB2 PRO 99 -1.227 11.084 12.191 770 HB3 PRO 99 HB3 PRO 99 0.179 11.628 13.161 771 HG2 PRO 99 HG2 PRO 99 -1.746 13.301 11.538 772 HG3 PRO 99 HG3 PRO 99 -1.161 13.598 13.209 773 HD2 PRO 99 HD2 PRO 99 -0.071 14.875 11.090 774 HD3 PRO 99 HD3 PRO 99 0.965 14.303 12.419 775 H ARG 100 HN ARG 100 -0.591 12.889 9.009 776 HA ARG 100 HA ARG 100 -1.977 10.516 7.987 777 HB2 ARG 100 HB2 ARG 100 -1.725 13.342 6.853 778 HB3 ARG 100 HB3 ARG 100 -2.753 12.055 6.200 779 HG2 ARG 100 HG2 ARG 100 -3.933 11.890 8.398 780 HG3 ARG 100 HG3 ARG 100 -2.953 13.241 9.004 781 HD2 ARG 100 HD2 ARG 100 -3.883 14.690 7.223 782 HD3 ARG 100 HD3 ARG 100 -4.920 13.349 6.691 783 HE ARG 100 HE ARG 100 -5.094 13.989 9.537 784 HH11 ARG 100 HH11 ARG 100 -6.356 15.055 6.369 785 HH12 ARG 100 HH12 ARG 100 -7.917 15.465 7.031 786 HH21 ARG 100 HH21 ARG 100 -7.198 14.577 10.332 787 HH22 ARG 100 HH22 ARG 100 -8.380 15.198 9.198 788 H LYS 101 HN LYS 101 1.147 12.060 7.327 789 HA LYS 101 HA LYS 101 1.365 10.618 4.730 790 HB2 LYS 101 HB2 LYS 101 2.813 12.892 6.014 791 HB3 LYS 101 HB3 LYS 101 3.661 11.911 4.809 792 HG2 LYS 101 HG2 LYS 101 2.074 12.437 3.113 793 HG3 LYS 101 HG3 LYS 101 0.969 13.202 4.260 794 HD2 LYS 101 HD2 LYS 101 2.005 15.190 4.135 795 HD3 LYS 101 HD3 LYS 101 3.566 14.482 4.459 796 HE2 LYS 101 HE2 LYS 101 3.771 15.631 2.438 797 HE3 LYS 101 HE3 LYS 101 3.842 13.902 2.057 798 HZ1 LYS 101 HZ1 LYS 101 2.502 14.956 0.449 799 HZ2 LYS 101 HZ2 LYS 101 1.597 15.756 1.563 800 HZ3 LYS 101 HZ3 LYS 101 1.439 14.137 1.336 801 H THR 102 HN THR 102 2.796 10.708 8.059 802 HA THR 102 HA THR 102 4.915 8.958 7.551 803 HB THR 102 HB THR 102 4.672 8.352 10.000 804 HG1 THR 102 HG1 THR 102 3.205 9.724 11.124 805 HG21 THR 102 HG21 THR 102 4.637 11.329 9.311 806 HG22 THR 102 HG22 THR 102 6.049 10.258 9.246 807 HG23 THR 102 HG23 THR 102 5.278 10.596 10.800 808 H ARG 103 HN ARG 103 1.579 7.961 8.622 809 HA ARG 103 HA ARG 103 2.221 5.160 8.240 810 HB2 ARG 103 HB2 ARG 103 -0.488 6.535 8.220 811 HB3 ARG 103 HB3 ARG 103 -0.226 4.788 8.261 812 HG2 ARG 103 HG2 ARG 103 0.815 4.953 10.459 813 HG3 ARG 103 HG3 ARG 103 0.666 6.727 10.434 814 HD2 ARG 103 HD2 ARG 103 -1.788 6.549 10.291 815 HD3 ARG 103 HD3 ARG 103 -1.679 4.777 10.273 816 HE ARG 103 HE ARG 103 -0.323 5.483 12.553 817 HH11 ARG 103 HH11 ARG 103 -3.613 6.449 11.453 818 HH12 ARG 103 HH12 ARG 103 -4.237 6.338 13.085 819 HH21 ARG 103 HH21 ARG 103 -1.152 5.612 14.575 820 HH22 ARG 103 HH22 ARG 103 -2.819 6.032 14.877 821 H ARG 104 HN ARG 104 1.064 7.647 5.928 822 HA ARG 104 HA ARG 104 0.368 5.738 3.885 823 HB2 ARG 104 HB2 ARG 104 1.069 8.677 3.778 824 HB3 ARG 104 HB3 ARG 104 0.826 7.735 2.318 825 HG2 ARG 104 HG2 ARG 104 -1.474 7.252 2.858 826 HG3 ARG 104 HG3 ARG 104 -1.262 7.839 4.501 827 HD2 ARG 104 HD2 ARG 104 -2.246 9.702 3.777 828 HD3 ARG 104 HD3 ARG 104 -0.637 10.120 3.210 829 HE ARG 104 HE ARG 104 -2.522 8.721 1.373 830 HH11 ARG 104 HH11 ARG 104 -1.110 11.890 2.308 831 HH12 ARG 104 HH12 ARG 104 -1.074 12.480 0.704 832 HH21 ARG 104 HH21 ARG 104 -3.189 9.889 -0.514 833 HH22 ARG 104 HH22 ARG 104 -2.469 11.405 -0.895 834 H ALA 105 HN ALA 105 3.460 7.309 4.793 835 HA ALA 105 HA ALA 105 5.078 6.529 2.717 836 HB1 ALA 105 HB1 ALA 105 6.908 6.871 4.246 837 HB2 ALA 105 HB2 ALA 105 5.586 7.852 4.912 838 HB3 ALA 105 HB3 ALA 105 5.973 6.283 5.611 839 H THR 106 HN THR 106 3.946 4.512 5.401 840 HA THR 106 HA THR 106 5.581 2.281 4.925 841 HB THR 106 HB THR 106 2.885 2.512 6.354 842 HG1 THR 106 HG1 THR 106 5.509 3.251 7.128 843 HG21 THR 106 HG21 THR 106 5.282 0.759 6.960 844 HG22 THR 106 HG22 THR 106 3.698 0.212 6.344 845 HG23 THR 106 HG23 THR 106 3.834 0.933 7.963 846 H MET 107 HN MET 107 2.244 3.062 3.633 847 HA MET 107 HA MET 107 2.043 0.441 2.359 848 HB2 MET 107 HB2 MET 107 0.312 1.422 0.965 849 HB3 MET 107 HB3 MET 107 -0.041 1.617 2.683 850 HG2 MET 107 HG2 MET 107 0.400 3.938 2.606 851 HG3 MET 107 HG3 MET 107 1.241 3.827 1.057 852 HE1 MET 107 HE1 MET 107 -3.291 4.065 1.626 853 HE2 MET 107 HE2 MET 107 -2.460 2.578 2.141 854 HE3 MET 107 HE3 MET 107 -2.082 4.139 2.917 855 H THR 108 HN THR 108 3.459 3.652 1.508 856 HA THR 108 HA THR 108 3.682 3.092 -1.209 857 HB THR 108 HB THR 108 5.557 4.898 0.343 858 HG1 THR 108 HG1 THR 108 2.961 5.481 -0.619 859 HG21 THR 108 HG21 THR 108 5.947 4.650 -2.114 860 HG22 THR 108 HG22 THR 108 5.366 6.276 -1.713 861 HG23 THR 108 HG23 THR 108 4.261 5.076 -2.425 862 H ASN 109 HN ASN 109 6.274 2.493 1.325 863 HA ASN 109 HA ASN 109 8.069 1.325 -0.536 864 HB2 ASN 109 HB2 ASN 109 8.597 1.784 1.935 865 HB3 ASN 109 HB3 ASN 109 7.753 0.282 2.314 866 HD21 ASN 109 HD21 ASN 109 8.859 -1.737 1.938 867 HD22 ASN 109 HD22 ASN 109 10.392 -1.844 1.140 868 H TRP 110 HN TRP 110 5.267 -0.134 1.059 869 HA TRP 110 HA TRP 110 5.824 -2.889 0.406 870 HB2 TRP 110 HB2 TRP 110 4.289 -2.337 2.203 871 HB3 TRP 110 HB3 TRP 110 3.291 -1.380 1.144 872 HD1 TRP 110 HD1 TRP 110 3.634 -4.900 2.381 873 HE1 TRP 110 HE1 TRP 110 1.913 -6.429 1.236 874 HE3 TRP 110 HE3 TRP 110 1.715 -1.551 -0.884 875 HZ2 TRP 110 HZ2 TRP 110 -0.135 -6.162 -0.809 876 HZ3 TRP 110 HZ3 TRP 110 -0.175 -2.167 -2.399 877 HH2 TRP 110 HH2 TRP 110 -1.066 -4.491 -2.370 878 H LEU 111 HN LEU 111 4.243 -0.203 -1.386 879 HA LEU 111 HA LEU 111 2.966 -1.853 -3.344 880 HB2 LEU 111 HB2 LEU 111 3.729 1.055 -3.085 881 HB3 LEU 111 HB3 LEU 111 3.288 0.435 -4.672 882 HG LEU 111 HG LEU 111 1.452 -0.074 -2.343 883 HD11 LEU 111 HD11 LEU 111 0.262 2.010 -2.810 884 HD12 LEU 111 HD12 LEU 111 1.561 2.521 -3.899 885 HD13 LEU 111 HD13 LEU 111 1.879 2.299 -2.163 886 HD21 LEU 111 HD21 LEU 111 1.035 -1.117 -4.590 887 HD22 LEU 111 HD22 LEU 111 0.899 0.506 -5.276 888 HD23 LEU 111 HD23 LEU 111 -0.272 -0.038 -4.057 889 H LEU 112 HN LEU 112 6.353 -0.654 -3.055 890 HA LEU 112 HA LEU 112 6.943 -1.421 -5.818 891 HB2 LEU 112 HB2 LEU 112 8.676 -0.625 -3.491 892 HB3 LEU 112 HB3 LEU 112 9.255 -0.934 -5.138 893 HG LEU 112 HG LEU 112 7.100 1.002 -5.268 894 HD11 LEU 112 HD11 LEU 112 8.176 2.828 -3.971 895 HD12 LEU 112 HD12 LEU 112 9.347 1.691 -3.327 896 HD13 LEU 112 HD13 LEU 112 7.631 1.488 -2.926 897 HD21 LEU 112 HD21 LEU 112 10.063 1.327 -5.851 898 HD22 LEU 112 HD22 LEU 112 8.727 2.347 -6.452 899 HD23 LEU 112 HD23 LEU 112 8.854 0.675 -6.977 900 H ALA 113 HN ALA 113 7.481 -2.687 -2.496 901 HA ALA 113 HA ALA 113 9.020 -5.012 -3.214 902 HB1 ALA 113 HB1 ALA 113 8.724 -4.161 -0.888 903 HB2 ALA 113 HB2 ALA 113 7.023 -4.685 -0.938 904 HB3 ALA 113 HB3 ALA 113 8.316 -5.891 -1.063 905 H TYR 114 HN TYR 114 5.672 -4.232 -3.834 906 HA TYR 114 HA TYR 114 4.867 -6.963 -4.386 907 HB2 TYR 114 HB2 TYR 114 3.306 -5.024 -3.764 908 HB3 TYR 114 HB3 TYR 114 3.529 -4.439 -5.406 909 HD1 TYR 114 HD1 TYR 114 2.789 -7.656 -3.622 910 HD2 TYR 114 HD2 TYR 114 1.951 -5.132 -7.021 911 HE1 TYR 114 HE1 TYR 114 0.963 -9.186 -4.311 912 HE2 TYR 114 HE2 TYR 114 -0.048 -6.523 -7.562 913 HH TYR 114 HH TYR 114 -1.289 -8.421 -6.980 914 H ARG 115 HN ARG 115 5.404 -4.080 -6.604 915 HA ARG 115 HA ARG 115 5.384 -5.752 -8.887 916 HB2 ARG 115 HB2 ARG 115 6.614 -3.950 -10.113 917 HB3 ARG 115 HB3 ARG 115 5.105 -3.480 -9.361 918 HG2 ARG 115 HG2 ARG 115 6.160 -2.213 -7.692 919 HG3 ARG 115 HG3 ARG 115 7.734 -2.988 -7.902 920 HD2 ARG 115 HD2 ARG 115 6.555 -1.416 -10.186 921 HD3 ARG 115 HD3 ARG 115 7.255 -0.548 -8.810 922 HE ARG 115 HE ARG 115 8.960 -2.660 -9.978 923 HH11 ARG 115 HH11 ARG 115 8.493 0.931 -9.666 924 HH12 ARG 115 HH12 ARG 115 9.859 1.247 -10.588 925 HH21 ARG 115 HH21 ARG 115 10.826 -2.102 -11.139 926 HH22 ARG 115 HH22 ARG 115 11.248 -0.425 -11.328 927 H ARG 116 HN ARG 116 8.011 -5.129 -6.611 928 HA ARG 116 HA ARG 116 10.271 -5.996 -7.884 929 HB2 ARG 116 HB2 ARG 116 9.270 -6.168 -5.118 930 HB3 ARG 116 HB3 ARG 116 10.588 -7.188 -5.620 931 HG2 ARG 116 HG2 ARG 116 10.577 -4.197 -5.902 932 HG3 ARG 116 HG3 ARG 116 11.411 -5.132 -4.675 933 HD2 ARG 116 HD2 ARG 116 12.574 -6.307 -6.741 934 HD3 ARG 116 HD3 ARG 116 11.922 -4.916 -7.647 935 HE ARG 116 HE ARG 116 13.727 -4.403 -5.335 936 HH11 ARG 116 HH11 ARG 116 13.430 -4.479 -8.868 937 HH12 ARG 116 HH12 ARG 116 14.645 -3.334 -9.117 938 HH21 ARG 116 HH21 ARG 116 15.390 -2.955 -5.685 939 HH22 ARG 116 HH22 ARG 116 15.725 -2.378 -7.308 940 H SER 117 HN SER 117 7.447 -7.991 -6.848 941 HA SER 117 HA SER 117 8.832 -10.479 -7.363 942 HB2 SER 117 HB2 SER 117 7.057 -11.457 -6.232 943 HB3 SER 117 HB3 SER 117 7.145 -9.822 -5.530 944 HG SER 117 HG SER 117 4.996 -10.449 -6.014 945 H GLN 118 HN GLN 118 6.538 -8.431 -8.970 946 HA GLN 118 HA GLN 118 5.637 -10.477 -10.905 947 HB2 GLN 118 HB2 GLN 118 4.783 -7.595 -10.631 948 HB3 GLN 118 HB3 GLN 118 3.930 -8.882 -11.490 949 HG2 GLN 118 HG2 GLN 118 3.664 -10.051 -9.243 950 HG3 GLN 118 HG3 GLN 118 4.258 -8.575 -8.475 951 HE21 GLN 118 HE21 GLN 118 2.944 -6.672 -10.326 952 HE22 GLN 118 HE22 GLN 118 1.281 -6.697 -9.897 953 H GLN 119 HN GLN 119 7.717 -7.751 -10.963 954 HA GLN 119 HA GLN 119 9.011 -6.683 -12.302 955 HB2 GLN 119 HB2 GLN 119 9.149 -9.597 -12.931 956 HB3 GLN 119 HB3 GLN 119 10.422 -8.442 -13.412 957 HG2 GLN 119 HG2 GLN 119 9.596 -9.050 -10.555 958 HG3 GLN 119 HG3 GLN 119 10.977 -9.748 -11.374 959 HE21 GLN 119 HE21 GLN 119 9.609 -6.646 -10.200 960 HE22 GLN 119 HE22 GLN 119 11.104 -5.741 -10.317 961 H ASP 120 HN ASP 120 6.679 -6.208 -13.083 962 HA ASP 120 HA ASP 120 5.738 -7.237 -15.241 963 HB2 ASP 120 HB2 ASP 120 4.133 -5.955 -14.326 964 HB3 ASP 120 HB3 ASP 120 5.232 -4.648 -13.941 Start of MODEL 17 1 H1 MET 1 HN MET 1 -4.132 -9.945 -6.795 2 HA MET 1 HA MET 1 -5.501 -10.926 -8.564 3 HB2 MET 1 HB2 MET 1 -6.887 -9.625 -9.950 4 HB3 MET 1 HB3 MET 1 -7.261 -9.111 -8.301 5 HG2 MET 1 HG2 MET 1 -5.891 -7.110 -8.568 6 HG3 MET 1 HG3 MET 1 -5.455 -7.612 -10.206 7 HE1 MET 1 HE1 MET 1 -9.064 -5.293 -8.913 8 HE2 MET 1 HE2 MET 1 -8.015 -6.252 -7.825 9 HE3 MET 1 HE3 MET 1 -7.340 -4.897 -8.768 10 H GLY 2 HN GLY 2 -2.690 -9.577 -8.104 11 HA2 GLY 2 HA2 GLY 2 -0.793 -9.415 -9.315 12 HA3 GLY 2 HA1 GLY 2 -1.612 -10.356 -10.571 13 H ILE 3 HN ILE 3 -2.386 -7.065 -9.463 14 HA ILE 3 HA ILE 3 -2.527 -5.914 -12.083 15 HB ILE 3 HB ILE 3 -2.076 -4.495 -9.436 16 HG12 ILE 3 HG12 ILE 3 -4.733 -5.404 -10.513 17 HG13 ILE 3 HG13 ILE 3 -3.914 -6.052 -9.077 18 HG21 ILE 3 HG21 ILE 3 -3.281 -2.610 -10.446 19 HG22 ILE 3 HG22 ILE 3 -2.110 -3.107 -11.621 20 HG23 ILE 3 HG23 ILE 3 -3.785 -3.615 -11.822 21 HD11 ILE 3 HD11 ILE 3 -5.429 -4.571 -8.182 22 HD12 ILE 3 HD12 ILE 3 -3.922 -3.655 -8.146 23 HD13 ILE 3 HD13 ILE 3 -5.152 -3.321 -9.395 24 H THR 4 HN THR 4 -1.089 -4.356 -12.952 25 HA THR 4 HA THR 4 1.801 -4.686 -12.461 26 HB THR 4 HB THR 4 0.273 -2.739 -14.251 27 HG1 THR 4 HG1 THR 4 0.609 -4.286 -15.883 28 HG21 THR 4 HG21 THR 4 2.656 -2.133 -13.904 29 HG22 THR 4 HG22 THR 4 2.330 -2.644 -15.563 30 HG23 THR 4 HG23 THR 4 3.136 -3.765 -14.443 31 H ILE 5 HN ILE 5 3.109 -2.926 -11.495 32 HA ILE 5 HA ILE 5 1.572 -0.532 -10.587 33 HB ILE 5 HB ILE 5 3.860 -1.889 -9.185 34 HG12 ILE 5 HG12 ILE 5 1.815 -3.310 -9.082 35 HG13 ILE 5 HG13 ILE 5 2.499 -2.837 -7.558 36 HG21 ILE 5 HG21 ILE 5 2.105 0.437 -8.391 37 HG22 ILE 5 HG22 ILE 5 3.187 -0.428 -7.263 38 HG23 ILE 5 HG23 ILE 5 3.861 0.424 -8.665 39 HD11 ILE 5 HD11 ILE 5 0.031 -1.602 -8.850 40 HD12 ILE 5 HD12 ILE 5 0.039 -2.787 -7.529 41 HD13 ILE 5 HD13 ILE 5 0.687 -1.164 -7.256 42 H THR 6 HN THR 6 2.533 1.394 -10.971 43 HA THR 6 HA THR 6 5.216 1.428 -12.242 44 HB THR 6 HB THR 6 4.274 3.731 -13.025 45 HG1 THR 6 HG1 THR 6 2.365 3.780 -11.915 46 HG21 THR 6 HG21 THR 6 4.779 1.783 -14.455 47 HG22 THR 6 HG22 THR 6 3.349 2.668 -15.020 48 HG23 THR 6 HG23 THR 6 3.149 1.129 -14.145 49 H ASP 7 HN ASP 7 6.800 2.502 -11.171 50 HA ASP 7 HA ASP 7 6.575 3.439 -8.506 51 HB2 ASP 7 HB2 ASP 7 8.567 3.915 -10.743 52 HB3 ASP 7 HB3 ASP 7 8.722 4.773 -9.226 53 H GLU 8 HN GLU 8 6.050 5.142 -11.595 54 HA GLU 8 HA GLU 8 6.140 7.794 -10.585 55 HB2 GLU 8 HB2 GLU 8 5.453 8.418 -12.694 56 HB3 GLU 8 HB3 GLU 8 6.419 6.951 -12.896 57 HG2 GLU 8 HG2 GLU 8 4.776 6.470 -14.302 58 HG3 GLU 8 HG3 GLU 8 4.177 5.708 -12.840 59 H LEU 9 HN LEU 9 3.461 5.508 -10.853 60 HA LEU 9 HA LEU 9 1.260 7.226 -10.143 61 HB2 LEU 9 HB2 LEU 9 0.948 5.160 -11.392 62 HB3 LEU 9 HB3 LEU 9 1.881 4.266 -10.207 63 HG LEU 9 HG LEU 9 0.335 4.603 -8.522 64 HD11 LEU 9 HD11 LEU 9 -1.327 6.131 -10.558 65 HD12 LEU 9 HD12 LEU 9 -0.828 6.660 -8.954 66 HD13 LEU 9 HD13 LEU 9 -2.055 5.410 -9.100 67 HD21 LEU 9 HD21 LEU 9 -1.386 3.033 -9.434 68 HD22 LEU 9 HD22 LEU 9 0.236 2.641 -10.037 69 HD23 LEU 9 HD23 LEU 9 -0.898 3.499 -11.087 70 H LEU 10 HN LEU 10 3.627 5.159 -8.428 71 HA LEU 10 HA LEU 10 2.291 5.441 -5.927 72 HB2 LEU 10 HB2 LEU 10 5.177 4.716 -6.512 73 HB3 LEU 10 HB3 LEU 10 4.385 4.553 -4.951 74 HG LEU 10 HG LEU 10 3.687 3.067 -7.520 75 HD11 LEU 10 HD11 LEU 10 4.766 2.160 -4.839 76 HD12 LEU 10 HD12 LEU 10 5.710 2.366 -6.339 77 HD13 LEU 10 HD13 LEU 10 4.463 1.124 -6.252 78 HD21 LEU 10 HD21 LEU 10 1.581 3.450 -6.384 79 HD22 LEU 10 HD22 LEU 10 2.317 3.013 -4.823 80 HD23 LEU 10 HD23 LEU 10 2.069 1.792 -6.111 81 H TRP 11 HN TRP 11 4.456 7.592 -7.603 82 HA TRP 11 HA TRP 11 5.213 9.122 -5.294 83 HB2 TRP 11 HB2 TRP 11 5.373 9.477 -8.264 84 HB3 TRP 11 HB3 TRP 11 5.398 10.927 -7.313 85 HD1 TRP 11 HD1 TRP 11 7.654 8.216 -8.466 86 HE1 TRP 11 HE1 TRP 11 9.937 8.359 -7.341 87 HE3 TRP 11 HE3 TRP 11 6.525 11.586 -4.801 88 HZ2 TRP 11 HZ2 TRP 11 11.150 9.821 -5.130 89 HZ3 TRP 11 HZ3 TRP 11 8.273 12.328 -3.166 90 HH2 TRP 11 HH2 TRP 11 10.588 11.465 -3.377 91 H ALA 12 HN ALA 12 2.207 8.970 -7.148 92 HA ALA 12 HA ALA 12 1.119 11.480 -6.425 93 HB1 ALA 12 HB1 ALA 12 0.147 9.933 -8.133 94 HB2 ALA 12 HB2 ALA 12 -0.302 8.804 -6.841 95 HB3 ALA 12 HB3 ALA 12 -1.042 10.397 -6.898 96 H ILE 13 HN ILE 13 1.542 8.479 -4.502 97 HA ILE 13 HA ILE 13 -0.266 9.315 -2.416 98 HB ILE 13 HB ILE 13 2.054 7.324 -2.278 99 HG12 ILE 13 HG12 ILE 13 0.050 5.688 -2.071 100 HG13 ILE 13 HG13 ILE 13 -0.938 6.958 -2.750 101 HG21 ILE 13 HG21 ILE 13 -0.317 7.899 -0.471 102 HG22 ILE 13 HG22 ILE 13 0.875 6.591 -0.229 103 HG23 ILE 13 HG23 ILE 13 1.392 8.261 -0.088 104 HD11 ILE 13 HD11 ILE 13 -0.202 5.228 -4.392 105 HD12 ILE 13 HD12 ILE 13 0.457 6.802 -4.856 106 HD13 ILE 13 HD13 ILE 13 1.476 5.598 -4.006 107 H LEU 14 HN LEU 14 3.299 9.327 -2.815 108 HA LEU 14 HA LEU 14 3.911 10.562 -0.355 109 HB2 LEU 14 HB2 LEU 14 5.483 10.606 -2.960 110 HB3 LEU 14 HB3 LEU 14 6.132 11.032 -1.377 111 HG LEU 14 HG LEU 14 5.106 8.277 -2.189 112 HD11 LEU 14 HD11 LEU 14 7.204 8.824 -3.313 113 HD12 LEU 14 HD12 LEU 14 7.492 7.612 -2.067 114 HD13 LEU 14 HD13 LEU 14 7.942 9.305 -1.768 115 HD21 LEU 14 HD21 LEU 14 6.161 7.509 -0.061 116 HD22 LEU 14 HD22 LEU 14 4.779 8.566 0.205 117 HD23 LEU 14 HD23 LEU 14 6.432 9.207 0.393 118 H LYS 15 HN LYS 15 3.538 12.065 -3.597 119 HA LYS 15 HA LYS 15 4.084 14.740 -2.729 120 HB2 LYS 15 HB2 LYS 15 2.464 13.788 -5.124 121 HB3 LYS 15 HB3 LYS 15 3.064 15.419 -4.867 122 HG2 LYS 15 HG2 LYS 15 4.753 12.967 -5.438 123 HG3 LYS 15 HG3 LYS 15 4.412 14.328 -6.491 124 HD2 LYS 15 HD2 LYS 15 5.624 15.819 -4.836 125 HD3 LYS 15 HD3 LYS 15 6.096 14.342 -3.955 126 HE2 LYS 15 HE2 LYS 15 7.052 13.463 -6.158 127 HE3 LYS 15 HE3 LYS 15 6.704 15.040 -6.866 128 HZ1 LYS 15 HZ1 LYS 15 8.160 15.975 -5.063 129 HZ2 LYS 15 HZ2 LYS 15 8.933 15.086 -6.201 130 HZ3 LYS 15 HZ3 LYS 15 8.640 14.441 -4.725 131 H ASP 16 HN ASP 16 1.331 12.837 -1.985 132 HA ASP 16 HA ASP 16 -0.711 13.272 -1.162 133 HB2 ASP 16 HB2 ASP 16 0.705 14.892 0.207 134 HB3 ASP 16 HB3 ASP 16 -0.067 16.178 -0.719 135 H GLU 17 HN GLU 17 -0.665 12.984 -3.724 136 HA GLU 17 HA GLU 17 -2.553 14.937 -4.840 137 HB2 GLU 17 HB2 GLU 17 -0.952 14.527 -6.466 138 HB3 GLU 17 HB3 GLU 17 -0.613 12.896 -5.915 139 HG2 GLU 17 HG2 GLU 17 -2.743 12.094 -6.776 140 HG3 GLU 17 HG3 GLU 17 -3.119 13.727 -7.404 141 H LEU 18 HN LEU 18 -2.023 11.506 -3.857 142 HA LEU 18 HA LEU 18 -4.917 10.962 -4.054 143 HB2 LEU 18 HB2 LEU 18 -2.594 9.411 -2.891 144 HB3 LEU 18 HB3 LEU 18 -4.212 8.913 -2.521 145 HG LEU 18 HG LEU 18 -4.002 9.434 -5.374 146 HD11 LEU 18 HD11 LEU 18 -1.723 8.810 -4.884 147 HD12 LEU 18 HD12 LEU 18 -2.545 7.706 -6.013 148 HD13 LEU 18 HD13 LEU 18 -2.346 7.240 -4.295 149 HD21 LEU 18 HD21 LEU 18 -5.079 7.404 -5.744 150 HD22 LEU 18 HD22 LEU 18 -5.853 8.155 -4.347 151 HD23 LEU 18 HD23 LEU 18 -4.705 6.799 -4.139 152 H SER 19 HN SER 19 -5.948 10.231 -2.343 153 HA SER 19 HA SER 19 -5.954 12.297 -0.200 154 HB2 SER 19 HB2 SER 19 -8.043 11.901 -1.614 155 HB3 SER 19 HB3 SER 19 -8.213 10.347 -0.772 156 HG SER 19 HG SER 19 -8.706 12.925 0.142 157 H ASP 20 HN ASP 20 -7.126 11.196 1.959 158 HA ASP 20 HA ASP 20 -5.160 9.219 2.900 159 HB2 ASP 20 HB2 ASP 20 -6.283 9.256 5.013 160 HB3 ASP 20 HB3 ASP 20 -5.944 10.877 4.465 161 H ALA 21 HN ALA 21 -8.753 9.022 2.506 162 HA ALA 21 HA ALA 21 -8.822 6.214 2.648 163 HB1 ALA 21 HB1 ALA 21 -10.765 7.771 2.862 164 HB2 ALA 21 HB2 ALA 21 -10.676 8.092 1.112 165 HB3 ALA 21 HB3 ALA 21 -11.063 6.461 1.708 166 H GLU 22 HN GLU 22 -8.361 8.308 -0.157 167 HA GLU 22 HA GLU 22 -8.685 6.207 -2.106 168 HB2 GLU 22 HB2 GLU 22 -7.491 9.008 -2.369 169 HB3 GLU 22 HB3 GLU 22 -7.939 7.957 -3.703 170 HG2 GLU 22 HG2 GLU 22 -10.217 7.779 -2.759 171 HG3 GLU 22 HG3 GLU 22 -9.836 9.068 -1.619 172 H ALA 23 HN ALA 23 -5.892 7.659 -0.546 173 HA ALA 23 HA ALA 23 -3.872 6.511 -2.239 174 HB1 ALA 23 HB1 ALA 23 -3.159 8.183 -0.620 175 HB2 ALA 23 HB2 ALA 23 -3.704 7.171 0.741 176 HB3 ALA 23 HB3 ALA 23 -2.333 6.667 -0.260 177 H ASN 24 HN ASN 24 -5.823 5.258 0.505 178 HA ASN 24 HA ASN 24 -4.401 2.812 1.005 179 HB2 ASN 24 HB2 ASN 24 -7.416 3.211 1.276 180 HB3 ASN 24 HB3 ASN 24 -6.441 1.904 1.895 181 HD21 ASN 24 HD21 ASN 24 -8.240 3.992 3.193 182 HD22 ASN 24 HD22 ASN 24 -7.285 4.463 4.573 183 H ALA 25 HN ALA 25 -7.026 3.713 -1.211 184 HA ALA 25 HA ALA 25 -7.933 1.255 -1.963 185 HB1 ALA 25 HB1 ALA 25 -8.916 3.440 -2.656 186 HB2 ALA 25 HB2 ALA 25 -7.630 3.591 -3.885 187 HB3 ALA 25 HB3 ALA 25 -8.791 2.264 -3.986 188 H LEU 26 HN LEU 26 -5.044 2.903 -3.398 189 HA LEU 26 HA LEU 26 -4.633 0.946 -5.450 190 HB2 LEU 26 HB2 LEU 26 -2.730 2.885 -4.075 191 HB3 LEU 26 HB3 LEU 26 -2.346 1.951 -5.510 192 HG LEU 26 HG LEU 26 -4.553 4.045 -5.336 193 HD11 LEU 26 HD11 LEU 26 -2.315 5.022 -5.228 194 HD12 LEU 26 HD12 LEU 26 -3.079 5.392 -6.773 195 HD13 LEU 26 HD13 LEU 26 -1.822 4.135 -6.691 196 HD21 LEU 26 HD21 LEU 26 -5.162 2.382 -7.023 197 HD22 LEU 26 HD22 LEU 26 -3.526 2.442 -7.730 198 HD23 LEU 26 HD23 LEU 26 -4.620 3.849 -7.818 199 H VAL 27 HN VAL 27 -3.868 0.803 -2.012 200 HA VAL 27 HA VAL 27 -2.067 -1.518 -2.345 201 HB VAL 27 HB VAL 27 -3.522 -0.675 0.189 202 HG11 VAL 27 HG11 VAL 27 -1.659 -1.798 1.305 203 HG12 VAL 27 HG12 VAL 27 -2.320 -2.911 0.086 204 HG13 VAL 27 HG13 VAL 27 -0.823 -2.042 -0.239 205 HG21 VAL 27 HG21 VAL 27 -0.808 0.357 -0.689 206 HG22 VAL 27 HG22 VAL 27 -2.303 1.332 -0.559 207 HG23 VAL 27 HG23 VAL 27 -1.602 0.608 0.884 208 H TRP 28 HN TRP 28 -5.437 -0.738 -1.370 209 HA TRP 28 HA TRP 28 -6.301 -3.297 -0.702 210 HB2 TRP 28 HB2 TRP 28 -7.835 -0.961 -1.886 211 HB3 TRP 28 HB3 TRP 28 -8.566 -2.343 -1.162 212 HD1 TRP 28 HD1 TRP 28 -5.975 -1.924 1.232 213 HE1 TRP 28 HE1 TRP 28 -6.817 -0.535 3.272 214 HE3 TRP 28 HE3 TRP 28 -10.125 0.251 -0.847 215 HZ2 TRP 28 HZ2 TRP 28 -9.008 1.114 3.928 216 HZ3 TRP 28 HZ3 TRP 28 -11.613 1.655 0.537 217 HH2 TRP 28 HH2 TRP 28 -11.069 2.072 2.941 218 H GLN 29 HN GLN 29 -6.603 -1.678 -3.921 219 HA GLN 29 HA GLN 29 -7.666 -3.848 -5.323 220 HB2 GLN 29 HB2 GLN 29 -6.697 -2.810 -7.378 221 HB3 GLN 29 HB3 GLN 29 -7.701 -1.764 -6.390 222 HG2 GLN 29 HG2 GLN 29 -5.970 -0.502 -5.798 223 HG3 GLN 29 HG3 GLN 29 -4.706 -1.708 -6.053 224 HE21 GLN 29 HE21 GLN 29 -7.148 0.101 -8.004 225 HE22 GLN 29 HE22 GLN 29 -6.050 0.413 -9.339 226 H ALA 30 HN ALA 30 -4.212 -3.097 -4.731 227 HA ALA 30 HA ALA 30 -3.158 -5.041 -6.462 228 HB1 ALA 30 HB1 ALA 30 -1.988 -3.877 -3.918 229 HB2 ALA 30 HB2 ALA 30 -1.060 -4.670 -5.205 230 HB3 ALA 30 HB3 ALA 30 -1.882 -3.122 -5.530 231 H LEU 31 HN LEU 31 -4.268 -5.349 -3.093 232 HA LEU 31 HA LEU 31 -3.515 -8.217 -3.074 233 HB2 LEU 31 HB2 LEU 31 -5.245 -6.541 -1.227 234 HB3 LEU 31 HB3 LEU 31 -5.129 -8.282 -1.141 235 HG LEU 31 HG LEU 31 -3.667 -7.505 0.504 236 HD11 LEU 31 HD11 LEU 31 -1.798 -8.138 -1.795 237 HD12 LEU 31 HD12 LEU 31 -2.706 -9.342 -0.839 238 HD13 LEU 31 HD13 LEU 31 -1.497 -8.314 -0.063 239 HD21 LEU 31 HD21 LEU 31 -3.552 -5.185 -0.290 240 HD22 LEU 31 HD22 LEU 31 -2.342 -5.642 -1.464 241 HD23 LEU 31 HD23 LEU 31 -1.981 -5.819 0.265 242 H GLY 32 HN GLY 32 -6.556 -6.337 -3.237 243 HA2 GLY 32 HA2 GLY 32 -7.912 -7.085 -5.303 244 HA3 GLY 32 HA1 GLY 32 -7.929 -8.660 -4.500 245 H TYR 33 HN TYR 33 -8.011 -6.010 -2.246 246 HA TYR 33 HA TYR 33 -10.811 -6.456 -1.576 247 HB2 TYR 33 HB2 TYR 33 -8.903 -4.350 -0.533 248 HB3 TYR 33 HB3 TYR 33 -10.478 -4.784 0.113 249 HD1 TYR 33 HD2 TYR 33 -10.751 -6.892 1.414 250 HD2 TYR 33 HD1 TYR 33 -6.913 -5.602 -0.053 251 HE1 TYR 33 HE2 TYR 33 -9.672 -8.471 2.935 252 HE2 TYR 33 HE1 TYR 33 -5.793 -7.225 1.443 253 HH TYR 33 HH TYR 33 -7.508 -9.190 3.844 254 H VAL 34 HN VAL 34 -12.265 -5.627 -3.042 255 HA VAL 34 HA VAL 34 -11.952 -2.881 -4.045 256 HB VAL 34 HB VAL 34 -12.371 -5.350 -5.791 257 HG11 VAL 34 HG11 VAL 34 -13.634 -3.360 -6.607 258 HG12 VAL 34 HG12 VAL 34 -12.125 -2.430 -6.613 259 HG13 VAL 34 HG13 VAL 34 -12.321 -3.818 -7.704 260 HG21 VAL 34 HG21 VAL 34 -10.245 -4.677 -6.885 261 HG22 VAL 34 HG22 VAL 34 -10.006 -3.475 -5.590 262 HG23 VAL 34 HG23 VAL 34 -10.069 -5.213 -5.215 263 H TRP 35 HN TRP 35 -14.012 -1.959 -4.240 264 HA TRP 35 HA TRP 35 -16.154 -3.291 -2.826 265 HB2 TRP 35 HB2 TRP 35 -15.842 -0.908 -2.687 266 HB3 TRP 35 HB3 TRP 35 -15.980 -0.708 -4.417 267 HD1 TRP 35 HD1 TRP 35 -18.365 -0.454 -5.390 268 HE1 TRP 35 HE1 TRP 35 -20.716 -0.414 -4.473 269 HE3 TRP 35 HE3 TRP 35 -17.335 -1.988 -0.630 270 HZ2 TRP 35 HZ2 TRP 35 -22.030 -0.926 -1.894 271 HZ3 TRP 35 HZ3 TRP 35 -19.149 -2.256 1.031 272 HH2 TRP 35 HH2 TRP 35 -21.519 -1.710 0.399 273 H ASP 36 HN ASP 36 -17.971 -4.334 -3.604 274 HA ASP 36 HA ASP 36 -18.263 -4.808 -6.478 275 HB2 ASP 36 HB2 ASP 36 -19.416 -6.833 -5.708 276 HB3 ASP 36 HB3 ASP 36 -17.752 -6.760 -5.336 277 H GLU 37 HN GLU 37 -19.447 -2.852 -6.803 278 HA GLU 37 HA GLU 37 -21.571 -1.884 -5.278 279 HB2 GLU 37 HB2 GLU 37 -20.456 -0.645 -7.077 280 HB3 GLU 37 HB3 GLU 37 -21.120 -1.752 -8.280 281 HG2 GLU 37 HG2 GLU 37 -23.415 -0.969 -7.726 282 HG3 GLU 37 HG3 GLU 37 -22.744 0.104 -6.493 283 H ALA 38 HN ALA 38 -21.707 -4.478 -7.613 284 HA ALA 38 HA ALA 38 -24.590 -4.450 -7.950 285 HB1 ALA 38 HB1 ALA 38 -24.103 -6.712 -8.985 286 HB2 ALA 38 HB2 ALA 38 -23.174 -5.341 -9.658 287 HB3 ALA 38 HB3 ALA 38 -22.408 -6.489 -8.534 288 H GLN 39 HN GLN 39 -22.274 -6.170 -5.896 289 HA GLN 39 HA GLN 39 -24.278 -7.880 -4.536 290 HB2 GLN 39 HB2 GLN 39 -21.413 -7.725 -4.811 291 HB3 GLN 39 HB3 GLN 39 -22.192 -8.404 -3.342 292 HG2 GLN 39 HG2 GLN 39 -21.611 -9.617 -5.662 293 HG3 GLN 39 HG3 GLN 39 -22.468 -10.235 -4.216 294 HE21 GLN 39 HE21 GLN 39 -22.974 -8.895 -7.479 295 HE22 GLN 39 HE22 GLN 39 -24.670 -9.408 -7.417 296 H SER 40 HN SER 40 -22.697 -4.799 -4.264 297 HA SER 40 HA SER 40 -22.301 -3.242 -2.903 298 HB2 SER 40 HB2 SER 40 -24.790 -4.040 -1.379 299 HB3 SER 40 HB3 SER 40 -23.901 -2.513 -1.299 300 HG SER 40 HG SER 40 -25.454 -3.563 -3.440 301 H CYS 41 HN CYS 41 -20.539 -5.393 -2.442 302 HA CYS 41 HA CYS 41 -20.112 -4.817 0.437 303 HB2 CYS 41 HB2 CYS 41 -21.207 -7.177 -0.223 304 HB3 CYS 41 HB3 CYS 41 -19.531 -7.583 -0.588 305 HG CYS 41 HG CYS 41 -20.440 -8.330 1.847 306 H TRP 42 HN TRP 42 -17.770 -6.236 0.753 307 HA TRP 42 HA TRP 42 -15.905 -5.046 -1.247 308 HB2 TRP 42 HB2 TRP 42 -15.440 -6.209 1.527 309 HB3 TRP 42 HB3 TRP 42 -14.186 -5.582 0.462 310 HD1 TRP 42 HD1 TRP 42 -16.640 -4.479 3.058 311 HE1 TRP 42 HE1 TRP 42 -16.642 -1.962 3.284 312 HE3 TRP 42 HE3 TRP 42 -14.000 -3.347 -1.146 313 HZ2 TRP 42 HZ2 TRP 42 -15.480 0.336 1.851 314 HZ3 TRP 42 HZ3 TRP 42 -13.441 -0.977 -1.707 315 HH2 TRP 42 HH2 TRP 42 -14.209 0.842 -0.255 316 H LYS 43 HN LYS 43 -14.547 -6.403 -2.450 317 HA LYS 43 HA LYS 43 -15.227 -9.258 -2.363 318 HB2 LYS 43 HB2 LYS 43 -13.453 -7.565 -4.180 319 HB3 LYS 43 HB3 LYS 43 -13.719 -9.317 -4.380 320 HG2 LYS 43 HG2 LYS 43 -16.121 -8.996 -4.609 321 HG3 LYS 43 HG3 LYS 43 -15.936 -7.268 -4.279 322 HD2 LYS 43 HD2 LYS 43 -14.334 -8.364 -6.503 323 HD3 LYS 43 HD3 LYS 43 -16.098 -8.226 -6.725 324 HE2 LYS 43 HE2 LYS 43 -15.977 -5.867 -5.806 325 HE3 LYS 43 HE3 LYS 43 -14.230 -5.962 -5.850 326 HZ1 LYS 43 HZ1 LYS 43 -15.323 -4.816 -7.731 327 HZ2 LYS 43 HZ2 LYS 43 -15.957 -6.252 -8.224 328 HZ3 LYS 43 HZ3 LYS 43 -14.324 -6.060 -8.217 329 H THR 44 HN THR 44 -13.588 -10.772 -2.372 330 HA THR 44 HA THR 44 -10.883 -10.095 -1.427 331 HB THR 44 HB THR 44 -10.967 -11.850 0.369 332 HG1 THR 44 HG1 THR 44 -13.778 -11.425 0.332 333 HG21 THR 44 HG21 THR 44 -12.715 -9.444 0.971 334 HG22 THR 44 HG22 THR 44 -10.947 -9.428 0.879 335 HG23 THR 44 HG23 THR 44 -11.762 -10.403 2.105 336 H ASP 45 HN ASP 45 -12.821 -11.866 -3.530 337 HA ASP 45 HA ASP 45 -11.876 -14.518 -3.375 338 HB2 ASP 45 HB2 ASP 45 -13.091 -12.696 -5.456 339 HB3 ASP 45 HB3 ASP 45 -12.465 -14.267 -5.963 340 H LEU 46 HN LEU 46 -10.724 -11.573 -4.917 341 HA LEU 46 HA LEU 46 -8.756 -12.972 -6.489 342 HB2 LEU 46 HB2 LEU 46 -9.252 -9.975 -6.291 343 HB3 LEU 46 HB3 LEU 46 -8.191 -10.819 -7.415 344 HG LEU 46 HG LEU 46 -10.214 -12.011 -8.352 345 HD11 LEU 46 HD11 LEU 46 -11.654 -9.839 -6.760 346 HD12 LEU 46 HD12 LEU 46 -11.960 -11.593 -6.791 347 HD13 LEU 46 HD13 LEU 46 -12.363 -10.640 -8.192 348 HD21 LEU 46 HD21 LEU 46 -10.003 -8.989 -8.667 349 HD22 LEU 46 HD22 LEU 46 -10.789 -10.109 -9.802 350 HD23 LEU 46 HD23 LEU 46 -9.052 -10.211 -9.510 351 H VAL 47 HN VAL 47 -8.698 -12.400 -3.359 352 HA VAL 47 HA VAL 47 -6.009 -11.154 -3.099 353 HB VAL 47 HB VAL 47 -8.109 -11.848 -1.003 354 HG11 VAL 47 HG11 VAL 47 -5.433 -10.454 -0.723 355 HG12 VAL 47 HG12 VAL 47 -6.760 -10.243 0.450 356 HG13 VAL 47 HG13 VAL 47 -6.090 -11.834 0.162 357 HG21 VAL 47 HG21 VAL 47 -7.359 -9.086 -1.972 358 HG22 VAL 47 HG22 VAL 47 -8.828 -9.944 -2.496 359 HG23 VAL 47 HG23 VAL 47 -8.610 -9.495 -0.801 360 H ALA 48 HN ALA 48 -4.458 -12.255 -1.726 361 HA ALA 48 HA ALA 48 -4.165 -15.075 -2.196 362 HB1 ALA 48 HB1 ALA 48 -2.698 -13.102 -0.359 363 HB2 ALA 48 HB2 ALA 48 -2.150 -14.728 -0.754 364 HB3 ALA 48 HB3 ALA 48 -2.249 -13.519 -2.038 365 HA PRO 49 HA PRO 49 -6.262 -16.789 1.253 366 HB2 PRO 49 HB2 PRO 49 -4.492 -18.692 2.302 367 HB3 PRO 49 HB3 PRO 49 -5.518 -18.922 0.864 368 HG2 PRO 49 HG2 PRO 49 -2.611 -18.152 0.990 369 HG3 PRO 49 HG3 PRO 49 -3.422 -19.260 -0.159 370 HD2 PRO 49 HD2 PRO 49 -2.766 -16.716 -0.815 371 HD3 PRO 49 HD3 PRO 49 -4.245 -17.439 -1.447 372 H GLU 50 HN GLU 50 -2.787 -16.199 2.198 373 HA GLU 50 HA GLU 50 -3.399 -16.031 4.918 374 HB2 GLU 50 HB2 GLU 50 -1.260 -15.161 5.298 375 HB3 GLU 50 HB3 GLU 50 -1.120 -16.348 4.008 376 HG2 GLU 50 HG2 GLU 50 -0.727 -14.632 2.360 377 HG3 GLU 50 HG3 GLU 50 -1.167 -13.341 3.492 378 H TRP 51 HN TRP 51 -3.814 -13.590 2.449 379 HA TRP 51 HA TRP 51 -4.091 -11.383 4.352 380 HB2 TRP 51 HB2 TRP 51 -4.277 -11.668 1.379 381 HB3 TRP 51 HB3 TRP 51 -5.036 -10.284 2.175 382 HD1 TRP 51 HD1 TRP 51 -1.670 -11.853 1.504 383 HE1 TRP 51 HE1 TRP 51 0.217 -10.207 1.988 384 HE3 TRP 51 HE3 TRP 51 -4.501 -8.008 3.471 385 HZ2 TRP 51 HZ2 TRP 51 0.465 -7.522 3.066 386 HZ3 TRP 51 HZ3 TRP 51 -3.412 -5.833 3.926 387 HH2 TRP 51 HH2 TRP 51 -0.960 -5.587 3.814 388 H ARG 52 HN ARG 52 -6.360 -13.291 2.222 389 HA ARG 52 HA ARG 52 -8.507 -11.691 3.315 390 HB2 ARG 52 HB2 ARG 52 -10.020 -12.966 2.004 391 HB3 ARG 52 HB3 ARG 52 -8.595 -12.527 1.067 392 HG2 ARG 52 HG2 ARG 52 -7.748 -14.951 1.572 393 HG3 ARG 52 HG3 ARG 52 -9.414 -15.260 2.118 394 HD2 ARG 52 HD2 ARG 52 -10.181 -14.232 -0.092 395 HD3 ARG 52 HD3 ARG 52 -8.497 -14.255 -0.610 396 HE ARG 52 HE ARG 52 -8.504 -16.630 -0.646 397 HH11 ARG 52 HH11 ARG 52 -11.774 -15.417 0.179 398 HH12 ARG 52 HH12 ARG 52 -12.585 -16.564 -0.812 399 HH21 ARG 52 HH21 ARG 52 -9.576 -18.250 -1.758 400 HH22 ARG 52 HH22 ARG 52 -11.315 -18.333 -1.762 401 H GLN 53 HN GLN 53 -6.959 -14.399 4.564 402 HA GLN 53 HA GLN 53 -8.617 -16.142 5.616 403 HB2 GLN 53 HB2 GLN 53 -5.982 -15.104 6.196 404 HB3 GLN 53 HB3 GLN 53 -6.778 -15.360 7.739 405 HG2 GLN 53 HG2 GLN 53 -7.238 -17.668 7.170 406 HG3 GLN 53 HG3 GLN 53 -6.532 -17.438 5.552 407 HE21 GLN 53 HE21 GLN 53 -5.157 -19.250 6.282 408 HE22 GLN 53 HE22 GLN 53 -3.831 -19.044 7.410 409 H ASP 54 HN ASP 54 -7.977 -13.027 7.244 410 HA ASP 54 HA ASP 54 -10.295 -13.484 9.032 411 HB2 ASP 54 HB2 ASP 54 -7.444 -12.718 9.764 412 HB3 ASP 54 HB3 ASP 54 -8.832 -12.372 10.796 413 H TYR 55 HN TYR 55 -10.063 -11.935 6.602 414 HA TYR 55 HA TYR 55 -9.984 -9.085 7.538 415 HB2 TYR 55 HB2 TYR 55 -8.839 -10.356 5.069 416 HB3 TYR 55 HB3 TYR 55 -9.293 -8.654 5.129 417 HD1 TYR 55 HD2 TYR 55 -7.329 -11.048 7.345 418 HD2 TYR 55 HD1 TYR 55 -7.521 -7.166 5.455 419 HE1 TYR 55 HE2 TYR 55 -5.381 -10.330 8.647 420 HE2 TYR 55 HE1 TYR 55 -5.731 -6.383 6.904 421 HH TYR 55 HH TYR 55 -4.833 -7.417 9.417 422 HA PRO 56 HA PRO 56 -14.178 -9.610 5.745 423 HB2 PRO 56 HB2 PRO 56 -15.627 -8.566 7.808 424 HB3 PRO 56 HB3 PRO 56 -15.047 -10.249 7.824 425 HG2 PRO 56 HG2 PRO 56 -13.732 -7.830 9.108 426 HG3 PRO 56 HG3 PRO 56 -14.116 -9.420 9.868 427 HD2 PRO 56 HD2 PRO 56 -11.655 -8.857 8.878 428 HD3 PRO 56 HD3 PRO 56 -12.342 -10.487 8.697 429 H GLU 57 HN GLU 57 -12.102 -6.990 6.598 430 HA GLU 57 HA GLU 57 -13.771 -5.178 4.952 431 HB2 GLU 57 HB2 GLU 57 -12.621 -4.546 7.704 432 HB3 GLU 57 HB3 GLU 57 -12.819 -3.298 6.484 433 HG2 GLU 57 HG2 GLU 57 -15.264 -4.123 6.256 434 HG3 GLU 57 HG3 GLU 57 -14.987 -4.909 7.813 435 HA PRO 58 HA PRO 58 -9.693 -4.368 3.278 436 HB2 PRO 58 HB2 PRO 58 -9.872 -1.789 2.461 437 HB3 PRO 58 HB3 PRO 58 -10.693 -3.106 1.587 438 HG2 PRO 58 HG2 PRO 58 -11.870 -1.201 3.627 439 HG3 PRO 58 HG3 PRO 58 -12.527 -1.657 2.030 440 HD2 PRO 58 HD2 PRO 58 -13.351 -2.863 4.339 441 HD3 PRO 58 HD3 PRO 58 -13.196 -3.782 2.816 442 HA PRO 59 HA PRO 59 -7.959 -2.746 6.931 443 HB2 PRO 59 HB2 PRO 59 -5.314 -2.347 6.265 444 HB3 PRO 59 HB3 PRO 59 -6.121 -3.948 6.427 445 HG2 PRO 59 HG2 PRO 59 -5.652 -2.361 3.891 446 HG3 PRO 59 HG3 PRO 59 -5.284 -4.091 4.203 447 HD2 PRO 59 HD2 PRO 59 -7.544 -3.311 2.932 448 HD3 PRO 59 HD3 PRO 59 -7.581 -4.648 4.119 449 H ASP 60 HN ASP 60 -8.031 -0.879 8.079 450 HA ASP 60 HA ASP 60 -8.015 1.711 6.830 451 HB2 ASP 60 HB2 ASP 60 -8.311 2.307 9.374 452 HB3 ASP 60 HB3 ASP 60 -9.633 1.626 8.440 453 H PHE 61 HN PHE 61 -5.670 1.345 6.073 454 HA PHE 61 HA PHE 61 -3.577 1.343 8.019 455 HB2 PHE 61 HB2 PHE 61 -3.609 2.472 5.196 456 HB3 PHE 61 HB3 PHE 61 -2.187 2.166 6.156 457 HD1 PHE 61 HD2 PHE 61 -1.624 -0.214 6.892 458 HD2 PHE 61 HD1 PHE 61 -4.426 0.760 3.769 459 HE1 PHE 61 HE2 PHE 61 -1.170 -2.410 5.801 460 HE2 PHE 61 HE1 PHE 61 -3.946 -1.401 2.669 461 HZ PHE 61 HZ PHE 61 -2.382 -3.016 3.718 462 H ILE 62 HN ILE 62 -5.671 3.961 7.024 463 HA ILE 62 HA ILE 62 -3.813 6.081 7.707 464 HB ILE 62 HB ILE 62 -6.783 6.021 7.142 465 HG12 ILE 62 HG12 ILE 62 -5.227 5.640 5.260 466 HG13 ILE 62 HG13 ILE 62 -6.248 7.028 5.053 467 HG21 ILE 62 HG21 ILE 62 -6.491 7.893 8.670 468 HG22 ILE 62 HG22 ILE 62 -5.112 8.495 7.721 469 HG23 ILE 62 HG23 ILE 62 -6.758 8.472 7.037 470 HD11 ILE 62 HD11 ILE 62 -4.334 8.543 5.512 471 HD12 ILE 62 HD12 ILE 62 -3.326 7.178 5.940 472 HD13 ILE 62 HD13 ILE 62 -3.890 7.359 4.270 473 H ALA 63 HN ALA 63 -6.903 5.013 9.303 474 HA ALA 63 HA ALA 63 -6.222 6.480 11.697 475 HB1 ALA 63 HB1 ALA 63 -8.220 5.408 12.616 476 HB2 ALA 63 HB2 ALA 63 -8.547 6.090 11.013 477 HB3 ALA 63 HB3 ALA 63 -8.323 4.326 11.202 478 H SER 64 HN SER 64 -5.814 3.064 10.650 479 HA SER 64 HA SER 64 -4.709 2.401 13.295 480 HB2 SER 64 HB2 SER 64 -7.086 1.518 12.161 481 HB3 SER 64 HB3 SER 64 -5.954 0.236 11.757 482 HG SER 64 HG SER 64 -7.087 0.947 14.103 483 H ARG 65 HN ARG 65 -3.395 0.195 13.073 484 HA ARG 65 HA ARG 65 -2.108 0.036 10.447 485 HB2 ARG 65 HB2 ARG 65 0.204 0.260 11.432 486 HB3 ARG 65 HB3 ARG 65 -0.741 1.723 11.384 487 HG2 ARG 65 HG2 ARG 65 0.369 1.797 13.431 488 HG3 ARG 65 HG3 ARG 65 -1.270 1.349 13.860 489 HD2 ARG 65 HD2 ARG 65 -0.546 -1.042 14.057 490 HD3 ARG 65 HD3 ARG 65 1.061 -0.552 13.527 491 HE ARG 65 HE ARG 65 -0.138 0.660 15.971 492 HH11 ARG 65 HH11 ARG 65 2.116 -1.721 14.576 493 HH12 ARG 65 HH12 ARG 65 2.527 -2.409 16.105 494 HH21 ARG 65 HH21 ARG 65 0.669 -0.125 18.065 495 HH22 ARG 65 HH22 ARG 65 1.914 -1.295 18.104 496 HA PRO 66 HA PRO 66 -2.311 -3.889 12.981 497 HB2 PRO 66 HB2 PRO 66 -4.559 -5.180 12.063 498 HB3 PRO 66 HB3 PRO 66 -4.580 -4.009 13.411 499 HG2 PRO 66 HG2 PRO 66 -5.305 -3.526 10.502 500 HG3 PRO 66 HG3 PRO 66 -6.179 -3.016 11.977 501 HD2 PRO 66 HD2 PRO 66 -4.496 -1.323 10.666 502 HD3 PRO 66 HD3 PRO 66 -4.677 -1.339 12.449 503 H ALA 67 HN ALA 67 -3.612 -3.598 9.745 504 HA ALA 67 HA ALA 67 -2.455 -5.706 8.383 505 HB1 ALA 67 HB1 ALA 67 -3.268 -2.887 7.528 506 HB2 ALA 67 HB2 ALA 67 -2.957 -4.213 6.391 507 HB3 ALA 67 HB3 ALA 67 -4.281 -4.351 7.568 508 H THR 68 HN THR 68 -0.754 -2.889 9.564 509 HA THR 68 HA THR 68 1.254 -2.730 7.562 510 HB THR 68 HB THR 68 1.263 -2.000 10.519 511 HG1 THR 68 HG1 THR 68 0.460 -0.104 9.821 512 HG21 THR 68 HG21 THR 68 3.507 -1.898 9.696 513 HG22 THR 68 HG22 THR 68 2.877 -0.238 9.741 514 HG23 THR 68 HG23 THR 68 2.976 -1.119 8.190 515 H VAL 69 HN VAL 69 0.822 -4.882 10.368 516 HA VAL 69 HA VAL 69 3.433 -6.088 10.308 517 HB VAL 69 HB VAL 69 0.711 -7.163 11.183 518 HG11 VAL 69 HG11 VAL 69 1.993 -8.731 12.588 519 HG12 VAL 69 HG12 VAL 69 2.372 -8.987 10.880 520 HG13 VAL 69 HG13 VAL 69 3.518 -8.107 11.913 521 HG21 VAL 69 HG21 VAL 69 1.489 -6.482 13.478 522 HG22 VAL 69 HG22 VAL 69 2.876 -5.656 12.725 523 HG23 VAL 69 HG23 VAL 69 1.220 -5.097 12.417 524 H LYS 70 HN LYS 70 0.367 -6.598 8.544 525 HA LYS 70 HA LYS 70 1.225 -9.042 7.350 526 HB2 LYS 70 HB2 LYS 70 -1.162 -8.027 7.801 527 HB3 LYS 70 HB3 LYS 70 -0.954 -7.373 6.172 528 HG2 LYS 70 HG2 LYS 70 -0.869 -9.552 5.201 529 HG3 LYS 70 HG3 LYS 70 -0.450 -10.305 6.706 530 HD2 LYS 70 HD2 LYS 70 -2.869 -9.307 7.437 531 HD3 LYS 70 HD3 LYS 70 -3.142 -9.393 5.711 532 HE2 LYS 70 HE2 LYS 70 -4.021 -11.356 6.611 533 HE3 LYS 70 HE3 LYS 70 -2.486 -11.853 5.880 534 HZ1 LYS 70 HZ1 LYS 70 -2.749 -11.298 8.779 535 HZ2 LYS 70 HZ2 LYS 70 -1.521 -12.109 7.971 536 HZ3 LYS 70 HZ3 LYS 70 -3.022 -12.737 8.128 537 H LEU 71 HN LEU 71 1.066 -5.641 6.221 538 HA LEU 71 HA LEU 71 2.085 -5.974 3.607 539 HB2 LEU 71 HB2 LEU 71 2.804 -3.806 5.629 540 HB3 LEU 71 HB3 LEU 71 3.230 -3.735 3.936 541 HG LEU 71 HG LEU 71 0.416 -3.782 4.944 542 HD11 LEU 71 HD11 LEU 71 1.580 -1.718 5.637 543 HD12 LEU 71 HD12 LEU 71 0.490 -1.321 4.293 544 HD13 LEU 71 HD13 LEU 71 2.225 -1.504 3.998 545 HD21 LEU 71 HD21 LEU 71 -0.342 -3.133 2.795 546 HD22 LEU 71 HD22 LEU 71 0.685 -4.540 2.535 547 HD23 LEU 71 HD23 LEU 71 1.286 -2.903 2.193 548 H THR 72 HN THR 72 3.834 -5.927 6.749 549 HA THR 72 HA THR 72 6.421 -5.837 5.596 550 HB THR 72 HB THR 72 5.356 -6.728 8.305 551 HG1 THR 72 HG1 THR 72 4.890 -4.673 8.162 552 HG21 THR 72 HG21 THR 72 7.525 -7.646 7.959 553 HG22 THR 72 HG22 THR 72 7.652 -6.281 9.097 554 HG23 THR 72 HG23 THR 72 8.159 -6.077 7.388 555 H ARG 73 HN ARG 73 4.270 -8.529 6.187 556 HA ARG 73 HA ARG 73 6.051 -10.679 5.923 557 HB2 ARG 73 HB2 ARG 73 3.271 -10.618 4.670 558 HB3 ARG 73 HB3 ARG 73 4.170 -12.034 5.105 559 HG2 ARG 73 HG2 ARG 73 3.822 -10.273 7.443 560 HG3 ARG 73 HG3 ARG 73 2.301 -10.577 6.625 561 HD2 ARG 73 HD2 ARG 73 2.863 -11.991 8.597 562 HD3 ARG 73 HD3 ARG 73 2.237 -12.786 7.153 563 HE ARG 73 HE ARG 73 4.973 -12.987 8.257 564 HH11 ARG 73 HH11 ARG 73 2.680 -14.027 5.603 565 HH12 ARG 73 HH12 ARG 73 3.724 -15.346 5.214 566 HH21 ARG 73 HH21 ARG 73 6.185 -14.734 7.631 567 HH22 ARG 73 HH22 ARG 73 5.720 -15.780 6.332 568 H SER 74 HN SER 74 4.756 -8.542 3.412 569 HA SER 74 HA SER 74 5.756 -10.120 1.170 570 HB2 SER 74 HB2 SER 74 4.433 -7.386 1.335 571 HB3 SER 74 HB3 SER 74 4.593 -8.381 -0.124 572 HG SER 74 HG SER 74 2.856 -9.433 0.473 573 H ILE 75 HN ILE 75 7.338 -8.074 3.317 574 HA ILE 75 HA ILE 75 9.025 -6.783 1.238 575 HB ILE 75 HB ILE 75 8.437 -5.782 4.012 576 HG12 ILE 75 HG12 ILE 75 7.520 -4.690 1.297 577 HG13 ILE 75 HG13 ILE 75 6.491 -5.636 2.364 578 HG21 ILE 75 HG21 ILE 75 9.927 -4.489 1.668 579 HG22 ILE 75 HG22 ILE 75 9.678 -3.774 3.277 580 HG23 ILE 75 HG23 ILE 75 10.716 -5.178 3.097 581 HD11 ILE 75 HD11 ILE 75 5.934 -3.370 2.737 582 HD12 ILE 75 HD12 ILE 75 6.815 -3.928 4.166 583 HD13 ILE 75 HD13 ILE 75 7.622 -2.895 2.956 584 HA PRO 76 HA PRO 76 11.941 -9.736 3.307 585 HB2 PRO 76 HB2 PRO 76 13.185 -10.643 1.098 586 HB3 PRO 76 HB3 PRO 76 11.495 -11.122 1.393 587 HG2 PRO 76 HG2 PRO 76 12.346 -8.806 -0.317 588 HG3 PRO 76 HG3 PRO 76 11.374 -10.241 -0.794 589 HD2 PRO 76 HD2 PRO 76 10.131 -8.003 0.072 590 HD3 PRO 76 HD3 PRO 76 9.563 -9.606 0.626 591 H ALA 77 HN ALA 77 14.484 -9.708 2.850 592 HA ALA 77 HA ALA 77 15.464 -7.226 3.665 593 HB1 ALA 77 HB1 ALA 77 17.675 -8.226 3.433 594 HB2 ALA 77 HB2 ALA 77 16.551 -9.317 4.241 595 HB3 ALA 77 HB3 ALA 77 16.980 -9.598 2.540 596 HA PRO 78 HA PRO 78 17.295 -6.467 -0.754 597 HB2 PRO 78 HB2 PRO 78 15.970 -7.503 -2.933 598 HB3 PRO 78 HB3 PRO 78 17.301 -8.350 -2.085 599 HG2 PRO 78 HG2 PRO 78 14.316 -8.704 -1.642 600 HG3 PRO 78 HG3 PRO 78 15.531 -9.998 -1.874 601 HD2 PRO 78 HD2 PRO 78 14.809 -9.436 0.513 602 HD3 PRO 78 HD3 PRO 78 16.545 -9.628 0.183 603 H TYR 79 HN TYR 79 13.943 -6.451 0.173 604 HA TYR 79 HA TYR 79 13.364 -4.232 -1.703 605 HB2 TYR 79 HB2 TYR 79 11.599 -6.287 -0.383 606 HB3 TYR 79 HB3 TYR 79 11.022 -4.938 -1.344 607 HD1 TYR 79 HD1 TYR 79 13.322 -5.044 -3.487 608 HD2 TYR 79 HD2 TYR 79 10.668 -8.079 -1.881 609 HE1 TYR 79 HE1 TYR 79 13.321 -6.102 -5.582 610 HE2 TYR 79 HE2 TYR 79 10.790 -9.256 -4.033 611 HH TYR 79 HH TYR 79 12.866 -8.274 -6.720 612 H LYS 80 HN LYS 80 14.602 -4.228 1.080 613 HA LYS 80 HA LYS 80 12.600 -3.209 2.928 614 HB2 LYS 80 HB2 LYS 80 15.649 -3.198 2.907 615 HB3 LYS 80 HB3 LYS 80 14.754 -2.450 4.221 616 HG2 LYS 80 HG2 LYS 80 14.384 -5.356 3.406 617 HG3 LYS 80 HG3 LYS 80 15.527 -4.815 4.655 618 HD2 LYS 80 HD2 LYS 80 13.658 -3.709 5.857 619 HD3 LYS 80 HD3 LYS 80 12.511 -4.370 4.663 620 HE2 LYS 80 HE2 LYS 80 13.002 -6.603 5.243 621 HE3 LYS 80 HE3 LYS 80 14.387 -6.151 6.246 622 HZ1 LYS 80 HZ1 LYS 80 11.607 -5.314 6.785 623 HZ2 LYS 80 HZ2 LYS 80 12.907 -5.035 7.743 624 HZ3 LYS 80 HZ3 LYS 80 12.353 -6.582 7.533 625 H GLN 81 HN GLN 81 15.096 -1.685 0.936 626 HA GLN 81 HA GLN 81 14.365 0.950 2.080 627 HB2 GLN 81 HB2 GLN 81 16.972 -0.098 0.858 628 HB3 GLN 81 HB3 GLN 81 16.704 1.518 1.492 629 HG2 GLN 81 HG2 GLN 81 16.005 0.341 3.695 630 HG3 GLN 81 HG3 GLN 81 16.740 -1.108 3.014 631 HE21 GLN 81 HE21 GLN 81 19.097 -1.047 2.523 632 HE22 GLN 81 HE22 GLN 81 20.104 0.192 3.245 633 H LEU 82 HN LEU 82 13.259 -0.559 -0.411 634 HA LEU 82 HA LEU 82 13.995 0.628 -2.767 635 HB2 LEU 82 HB2 LEU 82 11.187 -0.189 -2.020 636 HB3 LEU 82 HB3 LEU 82 11.807 0.090 -3.645 637 HG LEU 82 HG LEU 82 12.596 -2.122 -1.790 638 HD11 LEU 82 HD11 LEU 82 10.418 -2.197 -3.033 639 HD12 LEU 82 HD12 LEU 82 11.515 -3.525 -3.460 640 HD13 LEU 82 HD13 LEU 82 11.315 -2.137 -4.554 641 HD21 LEU 82 HD21 LEU 82 14.629 -1.464 -3.052 642 HD22 LEU 82 HD22 LEU 82 13.726 -1.644 -4.569 643 HD23 LEU 82 HD23 LEU 82 14.039 -3.035 -3.527 644 H LEU 83 HN LEU 83 11.894 2.055 -0.330 645 HA LEU 83 HA LEU 83 10.844 4.223 -1.762 646 HB2 LEU 83 HB2 LEU 83 11.551 3.692 1.085 647 HB3 LEU 83 HB3 LEU 83 11.520 5.398 0.661 648 HG LEU 83 HG LEU 83 9.200 3.526 0.073 649 HD11 LEU 83 HD11 LEU 83 8.146 4.577 2.065 650 HD12 LEU 83 HD12 LEU 83 9.662 5.421 2.428 651 HD13 LEU 83 HD13 LEU 83 9.590 3.651 2.502 652 HD21 LEU 83 HD21 LEU 83 9.350 5.739 -1.232 653 HD22 LEU 83 HD22 LEU 83 9.220 6.571 0.307 654 HD23 LEU 83 HD23 LEU 83 7.898 5.534 -0.250 655 H LYS 84 HN LYS 84 14.223 3.731 -0.811 656 HA LYS 84 HA LYS 84 14.799 6.434 -1.940 657 HB2 LYS 84 HB2 LYS 84 16.978 5.192 -0.408 658 HB3 LYS 84 HB3 LYS 84 16.416 6.869 -0.617 659 HG2 LYS 84 HG2 LYS 84 14.451 6.200 0.880 660 HG3 LYS 84 HG3 LYS 84 15.404 4.801 1.317 661 HD2 LYS 84 HD2 LYS 84 16.421 7.685 1.509 662 HD3 LYS 84 HD3 LYS 84 15.638 6.861 2.839 663 HE2 LYS 84 HE2 LYS 84 17.451 5.646 3.385 664 HE3 LYS 84 HE3 LYS 84 17.881 5.291 1.703 665 HZ1 LYS 84 HZ1 LYS 84 18.357 8.000 2.743 666 HZ2 LYS 84 HZ2 LYS 84 19.184 7.160 1.596 667 HZ3 LYS 84 HZ3 LYS 84 19.378 6.787 3.176 668 H GLU 85 HN GLU 85 15.761 3.043 -1.862 669 HA GLU 85 HA GLU 85 17.929 3.135 -3.685 670 HB2 GLU 85 HB2 GLU 85 15.848 0.945 -3.377 671 HB3 GLU 85 HB3 GLU 85 17.308 0.781 -4.305 672 HG2 GLU 85 HG2 GLU 85 18.691 1.034 -2.330 673 HG3 GLU 85 HG3 GLU 85 17.290 1.381 -1.317 674 H GLU 86 HN GLU 86 14.436 2.746 -4.451 675 HA GLU 86 HA GLU 86 14.981 2.741 -7.342 676 HB2 GLU 86 HB2 GLU 86 12.312 2.629 -5.936 677 HB3 GLU 86 HB3 GLU 86 12.680 2.141 -7.580 678 HG2 GLU 86 HG2 GLU 86 13.749 0.726 -5.080 679 HG3 GLU 86 HG3 GLU 86 12.281 0.296 -5.921 680 H LEU 87 HN LEU 87 12.902 4.496 -4.998 681 HA LEU 87 HA LEU 87 12.208 6.475 -7.009 682 HB2 LEU 87 HB2 LEU 87 11.496 6.513 -4.064 683 HB3 LEU 87 HB3 LEU 87 10.699 7.365 -5.351 684 HG LEU 87 HG LEU 87 10.717 4.340 -4.998 685 HD11 LEU 87 HD11 LEU 87 8.237 4.846 -4.520 686 HD12 LEU 87 HD12 LEU 87 8.736 6.528 -4.303 687 HD13 LEU 87 HD13 LEU 87 9.426 5.254 -3.275 688 HD21 LEU 87 HD21 LEU 87 10.495 4.895 -7.364 689 HD22 LEU 87 HD22 LEU 87 9.250 6.117 -6.989 690 HD23 LEU 87 HD23 LEU 87 8.925 4.398 -6.720 691 H GLY 88 HN GLY 88 14.540 6.427 -4.372 692 HA2 GLY 88 HA2 GLY 88 15.908 8.055 -3.490 693 HA3 GLY 88 HA1 GLY 88 15.525 9.072 -4.882 694 H PHE 89 HN PHE 89 13.077 7.804 -2.535 695 HA PHE 89 HA PHE 89 12.552 10.552 -1.596 696 HB2 PHE 89 HB2 PHE 89 10.643 8.964 -1.992 697 HB3 PHE 89 HB3 PHE 89 11.314 7.890 -0.781 698 HD1 PHE 89 HD1 PHE 89 10.081 11.429 -1.164 699 HD2 PHE 89 HD2 PHE 89 10.584 8.032 1.453 700 HE1 PHE 89 HE1 PHE 89 8.721 12.555 0.563 701 HE2 PHE 89 HE2 PHE 89 9.174 9.138 3.150 702 HZ PHE 89 HZ PHE 89 8.232 11.410 2.708 703 H ALA 90 HN ALA 90 12.495 10.724 0.910 704 HA ALA 90 HA ALA 90 14.543 9.051 2.233 705 HB1 ALA 90 HB1 ALA 90 15.864 10.975 1.549 706 HB2 ALA 90 HB2 ALA 90 14.656 12.096 2.210 707 HB3 ALA 90 HB3 ALA 90 15.582 11.034 3.290 708 H GLY 91 HN GLY 91 12.665 12.036 3.025 709 HA2 GLY 91 HA2 GLY 91 10.650 10.589 4.462 710 HA3 GLY 91 HA1 GLY 91 11.797 11.425 5.531 711 H TYR 92 HN TYR 92 9.172 12.230 5.484 712 HA TYR 92 HA TYR 92 8.709 14.449 3.700 713 HB2 TYR 92 HB2 TYR 92 7.477 13.608 6.354 714 HB3 TYR 92 HB3 TYR 92 6.863 14.907 5.340 715 HD1 TYR 92 HD2 TYR 92 6.182 14.404 2.940 716 HD2 TYR 92 HD1 TYR 92 6.964 11.202 5.771 717 HE1 TYR 92 HE2 TYR 92 4.876 12.812 1.552 718 HE2 TYR 92 HE1 TYR 92 5.652 9.700 4.440 719 HH TYR 92 HH TYR 92 3.975 9.625 2.819 720 H SER 93 HN SER 93 8.918 16.696 4.097 721 HA SER 93 HA SER 93 10.909 17.689 5.949 722 HB2 SER 93 HB2 SER 93 9.525 19.879 5.246 723 HB3 SER 93 HB3 SER 93 10.683 19.157 4.167 724 HG SER 93 HG SER 93 8.423 19.706 3.456 725 H ILE 94 HN ILE 94 10.365 19.171 7.671 726 HA ILE 94 HA ILE 94 8.513 18.330 9.505 727 HB ILE 94 HB ILE 94 10.327 19.775 10.045 728 HG12 ILE 94 HG12 ILE 94 9.190 21.318 11.635 729 HG13 ILE 94 HG13 ILE 94 7.664 21.021 10.822 730 HG21 ILE 94 HG21 ILE 94 10.379 21.285 8.166 731 HG22 ILE 94 HG22 ILE 94 8.835 22.006 8.665 732 HG23 ILE 94 HG23 ILE 94 10.255 22.221 9.673 733 HD11 ILE 94 HD11 ILE 94 7.671 18.678 11.524 734 HD12 ILE 94 HD12 ILE 94 9.304 18.857 12.209 735 HD13 ILE 94 HD13 ILE 94 7.934 19.718 12.926 736 H ASN 95 HN ASN 95 7.910 20.589 6.916 737 HA ASN 95 HA ASN 95 5.294 21.321 8.053 738 HB2 ASN 95 HB2 ASN 95 6.535 22.055 5.397 739 HB3 ASN 95 HB3 ASN 95 4.960 22.620 5.947 740 HD21 ASN 95 HD21 ASN 95 7.221 24.276 5.343 741 HD22 ASN 95 HD22 ASN 95 7.712 25.069 6.843 742 H GLU 96 HN GLU 96 6.427 18.811 6.013 743 HA GLU 96 HA GLU 96 3.712 18.079 5.029 744 HB2 GLU 96 HB2 GLU 96 6.444 16.959 4.314 745 HB3 GLU 96 HB3 GLU 96 4.921 16.528 3.550 746 HG2 GLU 96 HG2 GLU 96 6.229 19.273 3.444 747 HG3 GLU 96 HG3 GLU 96 6.352 18.039 2.199 748 H LEU 97 HN LEU 97 5.760 17.639 7.674 749 HA LEU 97 HA LEU 97 5.397 14.810 8.084 750 HB2 LEU 97 HB2 LEU 97 6.798 17.074 9.392 751 HB3 LEU 97 HB3 LEU 97 6.127 15.961 10.529 752 HG LEU 97 HG LEU 97 7.933 15.106 8.238 753 HD11 LEU 97 HD11 LEU 97 9.628 14.835 10.242 754 HD12 LEU 97 HD12 LEU 97 8.615 16.063 11.009 755 HD13 LEU 97 HD13 LEU 97 9.419 16.392 9.450 756 HD21 LEU 97 HD21 LEU 97 8.195 13.040 9.563 757 HD22 LEU 97 HD22 LEU 97 6.494 13.348 9.237 758 HD23 LEU 97 HD23 LEU 97 7.154 13.710 10.842 759 H VAL 98 HN VAL 98 3.251 14.525 7.897 760 HA VAL 98 HA VAL 98 1.661 15.358 10.266 761 HB VAL 98 HB VAL 98 -0.362 15.217 8.781 762 HG11 VAL 98 HG11 VAL 98 -0.071 17.388 7.817 763 HG12 VAL 98 HG12 VAL 98 0.676 17.315 9.429 764 HG13 VAL 98 HG13 VAL 98 1.702 17.275 7.967 765 HG21 VAL 98 HG21 VAL 98 1.580 15.295 6.461 766 HG22 VAL 98 HG22 VAL 98 0.556 13.912 6.909 767 HG23 VAL 98 HG23 VAL 98 -0.181 15.427 6.377 768 HA PRO 99 HA PRO 99 1.225 11.088 10.856 769 HB2 PRO 99 HB2 PRO 99 -1.420 10.689 11.570 770 HB3 PRO 99 HB3 PRO 99 -0.157 11.347 12.652 771 HG2 PRO 99 HG2 PRO 99 -2.199 12.871 11.015 772 HG3 PRO 99 HG3 PRO 99 -1.729 13.128 12.731 773 HD2 PRO 99 HD2 PRO 99 -0.700 14.665 10.766 774 HD3 PRO 99 HD3 PRO 99 0.337 14.107 12.098 775 H ARG 100 HN ARG 100 -0.885 12.668 8.452 776 HA ARG 100 HA ARG 100 -1.860 10.052 7.484 777 HB2 ARG 100 HB2 ARG 100 -2.042 12.876 6.355 778 HB3 ARG 100 HB3 ARG 100 -2.666 11.450 5.501 779 HG2 ARG 100 HG2 ARG 100 -4.178 10.909 7.316 780 HG3 ARG 100 HG3 ARG 100 -3.465 12.146 8.354 781 HD2 ARG 100 HD2 ARG 100 -4.274 13.908 6.745 782 HD3 ARG 100 HD3 ARG 100 -5.023 12.636 5.786 783 HE ARG 100 HE ARG 100 -6.816 12.824 7.102 784 HH11 ARG 100 HH11 ARG 100 -4.201 14.186 8.996 785 HH12 ARG 100 HH12 ARG 100 -5.142 14.435 10.410 786 HH21 ARG 100 HH21 ARG 100 -8.077 13.030 9.085 787 HH22 ARG 100 HH22 ARG 100 -7.353 13.764 10.463 788 H LYS 101 HN LYS 101 0.386 12.469 6.157 789 HA LYS 101 HA LYS 101 1.354 11.002 3.966 790 HB2 LYS 101 HB2 LYS 101 2.446 13.264 5.659 791 HB3 LYS 101 HB3 LYS 101 3.465 12.539 4.444 792 HG2 LYS 101 HG2 LYS 101 1.894 12.982 2.666 793 HG3 LYS 101 HG3 LYS 101 0.732 13.692 3.811 794 HD2 LYS 101 HD2 LYS 101 2.190 15.495 4.337 795 HD3 LYS 101 HD3 LYS 101 3.590 14.726 3.571 796 HE2 LYS 101 HE2 LYS 101 1.125 15.357 1.989 797 HE3 LYS 101 HE3 LYS 101 2.220 16.668 2.435 798 HZ1 LYS 101 HZ1 LYS 101 2.811 15.854 0.294 799 HZ2 LYS 101 HZ2 LYS 101 3.036 14.307 0.798 800 HZ3 LYS 101 HZ3 LYS 101 4.014 15.539 1.308 801 H THR 102 HN THR 102 2.775 11.148 7.268 802 HA THR 102 HA THR 102 5.105 9.724 6.734 803 HB THR 102 HB THR 102 4.856 9.022 9.221 804 HG1 THR 102 HG1 THR 102 2.872 11.019 9.282 805 HG21 THR 102 HG21 THR 102 6.203 10.931 8.508 806 HG22 THR 102 HG22 THR 102 5.315 11.323 9.991 807 HG23 THR 102 HG23 THR 102 4.760 11.962 8.427 808 H ARG 103 HN ARG 103 2.172 8.252 8.175 809 HA ARG 103 HA ARG 103 3.236 5.626 7.913 810 HB2 ARG 103 HB2 ARG 103 1.093 4.865 8.682 811 HB3 ARG 103 HB3 ARG 103 1.542 6.332 9.544 812 HG2 ARG 103 HG2 ARG 103 0.060 7.645 7.925 813 HG3 ARG 103 HG3 ARG 103 -0.431 6.133 7.225 814 HD2 ARG 103 HD2 ARG 103 -2.114 6.604 8.744 815 HD3 ARG 103 HD3 ARG 103 -1.120 5.390 9.572 816 HE ARG 103 HE ARG 103 -1.105 8.338 9.936 817 HH11 ARG 103 HH11 ARG 103 -0.774 5.272 11.616 818 HH12 ARG 103 HH12 ARG 103 0.251 5.922 12.894 819 HH21 ARG 103 HH21 ARG 103 0.212 9.165 11.491 820 HH22 ARG 103 HH22 ARG 103 0.724 8.296 12.888 821 H ARG 104 HN ARG 104 1.265 7.480 5.561 822 HA ARG 104 HA ARG 104 0.665 5.338 3.819 823 HB2 ARG 104 HB2 ARG 104 1.451 8.196 3.181 824 HB3 ARG 104 HB3 ARG 104 0.928 7.044 1.976 825 HG2 ARG 104 HG2 ARG 104 -1.306 6.944 2.809 826 HG3 ARG 104 HG3 ARG 104 -0.870 7.813 4.297 827 HD2 ARG 104 HD2 ARG 104 -0.109 9.740 2.876 828 HD3 ARG 104 HD3 ARG 104 -0.717 8.902 1.445 829 HE ARG 104 HE ARG 104 -2.943 9.023 2.921 830 HH11 ARG 104 HH11 ARG 104 -0.692 11.365 1.631 831 HH12 ARG 104 HH12 ARG 104 -1.556 12.795 2.062 832 HH21 ARG 104 HH21 ARG 104 -4.441 10.907 2.914 833 HH22 ARG 104 HH22 ARG 104 -3.826 12.424 2.419 834 H ALA 105 HN ALA 105 3.812 6.977 4.372 835 HA ALA 105 HA ALA 105 5.160 6.005 2.090 836 HB1 ALA 105 HB1 ALA 105 6.375 6.397 4.864 837 HB2 ALA 105 HB2 ALA 105 7.214 6.432 3.308 838 HB3 ALA 105 HB3 ALA 105 6.074 7.718 3.723 839 H THR 106 HN THR 106 4.331 4.305 5.166 840 HA THR 106 HA THR 106 5.957 2.033 4.776 841 HB THR 106 HB THR 106 3.178 1.973 6.002 842 HG1 THR 106 HG1 THR 106 5.515 3.194 7.054 843 HG21 THR 106 HG21 THR 106 5.812 0.603 6.690 844 HG22 THR 106 HG22 THR 106 4.368 -0.153 5.970 845 HG23 THR 106 HG23 THR 106 4.319 0.474 7.626 846 H MET 107 HN MET 107 2.715 2.873 3.491 847 HA MET 107 HA MET 107 2.245 0.277 2.244 848 HB2 MET 107 HB2 MET 107 0.971 3.018 1.859 849 HB3 MET 107 HB3 MET 107 0.427 1.547 1.075 850 HG2 MET 107 HG2 MET 107 -0.552 0.712 2.986 851 HG3 MET 107 HG3 MET 107 0.718 1.342 4.032 852 HE1 MET 107 HE1 MET 107 -2.866 3.876 2.555 853 HE2 MET 107 HE2 MET 107 -1.822 2.944 1.463 854 HE3 MET 107 HE3 MET 107 -2.913 2.104 2.603 855 H THR 108 HN THR 108 3.538 3.510 1.165 856 HA THR 108 HA THR 108 3.743 2.868 -1.537 857 HB THR 108 HB THR 108 5.845 4.443 0.001 858 HG1 THR 108 HG1 THR 108 3.330 5.356 -0.937 859 HG21 THR 108 HG21 THR 108 5.867 5.776 -2.117 860 HG22 THR 108 HG22 THR 108 4.646 4.674 -2.793 861 HG23 THR 108 HG23 THR 108 6.270 4.075 -2.418 862 H ASN 109 HN ASN 109 6.216 2.239 1.059 863 HA ASN 109 HA ASN 109 8.021 0.883 -0.677 864 HB2 ASN 109 HB2 ASN 109 8.399 1.725 1.728 865 HB3 ASN 109 HB3 ASN 109 7.826 0.135 2.212 866 HD21 ASN 109 HD21 ASN 109 9.008 -1.710 0.576 867 HD22 ASN 109 HD22 ASN 109 10.729 -1.578 0.684 868 H TRP 110 HN TRP 110 5.063 -0.379 0.893 869 HA TRP 110 HA TRP 110 5.679 -3.150 0.255 870 HB2 TRP 110 HB2 TRP 110 3.947 -2.548 1.922 871 HB3 TRP 110 HB3 TRP 110 2.997 -1.779 0.668 872 HD1 TRP 110 HD1 TRP 110 3.767 -5.133 2.122 873 HE1 TRP 110 HE1 TRP 110 2.325 -6.979 1.049 874 HE3 TRP 110 HE3 TRP 110 1.649 -2.360 -1.504 875 HZ2 TRP 110 HZ2 TRP 110 0.337 -7.132 -1.114 876 HZ3 TRP 110 HZ3 TRP 110 0.010 -3.327 -3.091 877 HH2 TRP 110 HH2 TRP 110 -0.614 -5.716 -2.948 878 H LEU 111 HN LEU 111 4.281 -0.382 -1.571 879 HA LEU 111 HA LEU 111 2.882 -2.143 -3.455 880 HB2 LEU 111 HB2 LEU 111 3.355 0.859 -3.204 881 HB3 LEU 111 HB3 LEU 111 2.848 0.184 -4.745 882 HG LEU 111 HG LEU 111 1.291 -0.455 -2.239 883 HD11 LEU 111 HD11 LEU 111 -0.271 1.304 -2.656 884 HD12 LEU 111 HD12 LEU 111 0.627 1.878 -4.043 885 HD13 LEU 111 HD13 LEU 111 1.341 2.015 -2.411 886 HD21 LEU 111 HD21 LEU 111 0.409 -0.237 -5.153 887 HD22 LEU 111 HD22 LEU 111 -0.494 -0.944 -3.811 888 HD23 LEU 111 HD23 LEU 111 0.951 -1.756 -4.431 889 H LEU 112 HN LEU 112 5.728 -0.113 -3.411 890 HA LEU 112 HA LEU 112 6.538 -0.752 -6.095 891 HB2 LEU 112 HB2 LEU 112 7.593 1.062 -5.952 892 HB3 LEU 112 HB3 LEU 112 6.776 1.289 -4.455 893 HG LEU 112 HG LEU 112 9.171 -0.102 -3.745 894 HD11 LEU 112 HD11 LEU 112 9.465 2.209 -5.729 895 HD12 LEU 112 HD12 LEU 112 9.944 0.533 -5.973 896 HD13 LEU 112 HD13 LEU 112 10.779 1.563 -4.751 897 HD21 LEU 112 HD21 LEU 112 8.506 2.850 -3.488 898 HD22 LEU 112 HD22 LEU 112 9.529 1.858 -2.419 899 HD23 LEU 112 HD23 LEU 112 7.765 1.586 -2.514 900 H ALA 113 HN ALA 113 7.033 -2.359 -3.156 901 HA ALA 113 HA ALA 113 9.300 -4.093 -4.138 902 HB1 ALA 113 HB1 ALA 113 7.583 -4.115 -1.571 903 HB2 ALA 113 HB2 ALA 113 8.934 -5.195 -1.906 904 HB3 ALA 113 HB3 ALA 113 9.224 -3.453 -1.689 905 H TYR 114 HN TYR 114 5.753 -4.312 -3.447 906 HA TYR 114 HA TYR 114 5.516 -7.109 -3.712 907 HB2 TYR 114 HB2 TYR 114 3.665 -5.900 -2.864 908 HB3 TYR 114 HB3 TYR 114 3.657 -4.763 -4.211 909 HD1 TYR 114 HD1 TYR 114 3.406 -8.536 -3.807 910 HD2 TYR 114 HD2 TYR 114 2.040 -4.974 -5.830 911 HE1 TYR 114 HE1 TYR 114 1.784 -9.884 -5.088 912 HE2 TYR 114 HE2 TYR 114 0.445 -6.291 -7.106 913 HH TYR 114 HH TYR 114 0.659 -8.978 -7.814 914 H ARG 115 HN ARG 115 5.128 -4.560 -6.174 915 HA ARG 115 HA ARG 115 4.845 -6.156 -8.422 916 HB2 ARG 115 HB2 ARG 115 5.584 -4.207 -9.706 917 HB3 ARG 115 HB3 ARG 115 4.507 -3.755 -8.377 918 HG2 ARG 115 HG2 ARG 115 6.430 -3.013 -7.027 919 HG3 ARG 115 HG3 ARG 115 7.549 -3.583 -8.255 920 HD2 ARG 115 HD2 ARG 115 6.381 -1.914 -9.838 921 HD3 ARG 115 HD3 ARG 115 5.782 -1.160 -8.347 922 HE ARG 115 HE ARG 115 8.195 -1.120 -7.580 923 HH11 ARG 115 HH11 ARG 115 7.522 -1.015 -11.097 924 HH12 ARG 115 HH12 ARG 115 9.047 -0.238 -11.391 925 HH21 ARG 115 HH21 ARG 115 10.038 0.158 -8.252 926 HH22 ARG 115 HH22 ARG 115 10.714 -0.287 -9.765 927 H ARG 116 HN ARG 116 7.887 -5.689 -6.651 928 HA ARG 116 HA ARG 116 9.651 -6.090 -8.934 929 HB2 ARG 116 HB2 ARG 116 10.101 -6.504 -5.962 930 HB3 ARG 116 HB3 ARG 116 11.357 -6.438 -7.182 931 HG2 ARG 116 HG2 ARG 116 9.569 -4.185 -6.458 932 HG3 ARG 116 HG3 ARG 116 11.198 -4.384 -5.848 933 HD2 ARG 116 HD2 ARG 116 10.976 -4.360 -8.834 934 HD3 ARG 116 HD3 ARG 116 10.441 -2.914 -8.012 935 HE ARG 116 HE ARG 116 12.554 -2.253 -7.714 936 HH11 ARG 116 HH11 ARG 116 12.777 -5.654 -8.687 937 HH12 ARG 116 HH12 ARG 116 14.472 -5.743 -8.316 938 HH21 ARG 116 HH21 ARG 116 14.805 -2.318 -7.542 939 HH22 ARG 116 HH22 ARG 116 15.641 -3.797 -7.921 940 H SER 117 HN SER 117 7.926 -8.159 -6.699 941 HA SER 117 HA SER 117 9.220 -10.624 -7.521 942 HB2 SER 117 HB2 SER 117 6.634 -10.080 -5.994 943 HB3 SER 117 HB3 SER 117 7.415 -11.660 -6.195 944 HG SER 117 HG SER 117 7.990 -9.764 -4.379 945 H GLN 118 HN GLN 118 6.860 -8.584 -9.041 946 HA GLN 118 HA GLN 118 5.749 -10.805 -10.678 947 HB2 GLN 118 HB2 GLN 118 4.849 -7.981 -10.002 948 HB3 GLN 118 HB3 GLN 118 4.362 -8.709 -11.515 949 HG2 GLN 118 HG2 GLN 118 3.537 -10.730 -10.147 950 HG3 GLN 118 HG3 GLN 118 3.751 -9.705 -8.717 951 HE21 GLN 118 HE21 GLN 118 2.259 -9.524 -12.046 952 HE22 GLN 118 HE22 GLN 118 0.867 -8.595 -11.530 953 H GLN 119 HN GLN 119 8.255 -8.497 -10.753 954 HA GLN 119 HA GLN 119 8.364 -8.412 -13.735 955 HB2 GLN 119 HB2 GLN 119 9.775 -6.847 -11.541 956 HB3 GLN 119 HB3 GLN 119 10.143 -6.667 -13.258 957 HG2 GLN 119 HG2 GLN 119 8.108 -5.590 -13.744 958 HG3 GLN 119 HG3 GLN 119 7.335 -6.139 -12.262 959 HE21 GLN 119 HE21 GLN 119 7.985 -5.317 -10.307 960 HE22 GLN 119 HE22 GLN 119 8.874 -3.810 -10.069 961 H ASP 120 HN ASP 120 8.950 -10.632 -11.760 962 HA ASP 120 HA ASP 120 11.749 -10.854 -11.269 963 HB2 ASP 120 HB2 ASP 120 9.976 -11.855 -9.870 964 HB3 ASP 120 HB3 ASP 120 9.581 -12.978 -11.176 Start of MODEL 18 1 H1 MET 1 HN MET 1 -5.178 -7.930 -6.753 2 HA MET 1 HA MET 1 -4.644 -10.434 -8.203 3 HB2 MET 1 HB2 MET 1 -5.777 -9.594 -10.096 4 HB3 MET 1 HB3 MET 1 -6.811 -9.343 -8.693 5 HG2 MET 1 HG2 MET 1 -5.765 -6.967 -8.599 6 HG3 MET 1 HG3 MET 1 -5.215 -7.298 -10.249 7 HE1 MET 1 HE1 MET 1 -8.893 -5.280 -9.208 8 HE2 MET 1 HE2 MET 1 -7.770 -6.004 -8.007 9 HE3 MET 1 HE3 MET 1 -7.168 -4.872 -9.249 10 H GLY 2 HN GLY 2 -3.430 -9.849 -10.520 11 HA2 GLY 2 HA2 GLY 2 -0.877 -8.856 -9.590 12 HA3 GLY 2 HA1 GLY 2 -1.290 -9.715 -11.066 13 H ILE 3 HN ILE 3 -2.320 -6.675 -9.635 14 HA ILE 3 HA ILE 3 -2.532 -5.236 -12.104 15 HB ILE 3 HB ILE 3 -1.963 -3.979 -9.400 16 HG12 ILE 3 HG12 ILE 3 -4.645 -4.973 -10.451 17 HG13 ILE 3 HG13 ILE 3 -3.749 -5.673 -9.091 18 HG21 ILE 3 HG21 ILE 3 -3.274 -2.087 -10.203 19 HG22 ILE 3 HG22 ILE 3 -2.071 -2.451 -11.406 20 HG23 ILE 3 HG23 ILE 3 -3.746 -2.975 -11.666 21 HD11 ILE 3 HD11 ILE 3 -5.404 -4.301 -8.095 22 HD12 ILE 3 HD12 ILE 3 -3.913 -3.341 -7.992 23 HD13 ILE 3 HD13 ILE 3 -5.130 -2.971 -9.230 24 H THR 4 HN THR 4 -1.128 -3.709 -12.954 25 HA THR 4 HA THR 4 1.764 -4.180 -12.501 26 HB THR 4 HB THR 4 0.407 -2.292 -14.465 27 HG1 THR 4 HG1 THR 4 1.571 -4.736 -15.276 28 HG21 THR 4 HG21 THR 4 2.746 -1.724 -13.915 29 HG22 THR 4 HG22 THR 4 2.625 -2.348 -15.577 30 HG23 THR 4 HG23 THR 4 3.249 -3.392 -14.281 31 H ILE 5 HN ILE 5 2.836 -2.804 -11.150 32 HA ILE 5 HA ILE 5 1.494 -0.277 -10.318 33 HB ILE 5 HB ILE 5 3.842 -1.743 -9.120 34 HG12 ILE 5 HG12 ILE 5 1.914 -3.088 -8.754 35 HG13 ILE 5 HG13 ILE 5 2.406 -2.360 -7.233 36 HG21 ILE 5 HG21 ILE 5 2.343 0.709 -8.175 37 HG22 ILE 5 HG22 ILE 5 3.497 -0.218 -7.179 38 HG23 ILE 5 HG23 ILE 5 4.049 0.584 -8.653 39 HD11 ILE 5 HD11 ILE 5 -0.001 -2.365 -7.401 40 HD12 ILE 5 HD12 ILE 5 0.548 -0.678 -7.524 41 HD13 ILE 5 HD13 ILE 5 0.043 -1.562 -8.983 42 H THR 6 HN THR 6 2.468 1.597 -10.746 43 HA THR 6 HA THR 6 4.986 1.659 -12.295 44 HB THR 6 HB THR 6 3.803 3.881 -13.116 45 HG1 THR 6 HG1 THR 6 1.549 3.573 -13.293 46 HG21 THR 6 HG21 THR 6 4.389 1.956 -14.554 47 HG22 THR 6 HG22 THR 6 2.816 2.638 -15.000 48 HG23 THR 6 HG23 THR 6 2.891 1.126 -14.057 49 H ASP 7 HN ASP 7 6.564 3.016 -11.565 50 HA ASP 7 HA ASP 7 6.541 4.000 -8.917 51 HB2 ASP 7 HB2 ASP 7 8.283 4.775 -11.283 52 HB3 ASP 7 HB3 ASP 7 8.554 5.350 -9.633 53 H GLU 8 HN GLU 8 5.514 5.534 -11.945 54 HA GLU 8 HA GLU 8 5.460 8.234 -11.093 55 HB2 GLU 8 HB2 GLU 8 4.098 8.654 -13.006 56 HB3 GLU 8 HB3 GLU 8 5.313 7.430 -13.399 57 HG2 GLU 8 HG2 GLU 8 3.736 6.257 -14.321 58 HG3 GLU 8 HG3 GLU 8 3.265 5.815 -12.698 59 H LEU 9 HN LEU 9 3.048 5.621 -10.704 60 HA LEU 9 HA LEU 9 0.927 7.226 -9.677 61 HB2 LEU 9 HB2 LEU 9 0.615 5.239 -11.034 62 HB3 LEU 9 HB3 LEU 9 1.648 4.297 -9.976 63 HG LEU 9 HG LEU 9 0.162 4.476 -8.185 64 HD11 LEU 9 HD11 LEU 9 -0.991 6.565 -8.404 65 HD12 LEU 9 HD12 LEU 9 -2.233 5.327 -8.570 66 HD13 LEU 9 HD13 LEU 9 -1.592 6.140 -10.017 67 HD21 LEU 9 HD21 LEU 9 -0.017 2.637 -9.851 68 HD22 LEU 9 HD22 LEU 9 -1.147 3.598 -10.805 69 HD23 LEU 9 HD23 LEU 9 -1.648 3.004 -9.208 70 H LEU 10 HN LEU 10 3.553 5.190 -8.406 71 HA LEU 10 HA LEU 10 2.738 5.376 -5.640 72 HB2 LEU 10 HB2 LEU 10 5.460 4.818 -6.887 73 HB3 LEU 10 HB3 LEU 10 5.100 4.682 -5.177 74 HG LEU 10 HG LEU 10 4.022 2.985 -7.454 75 HD11 LEU 10 HD11 LEU 10 6.248 2.455 -6.520 76 HD12 LEU 10 HD12 LEU 10 5.078 1.175 -6.197 77 HD13 LEU 10 HD13 LEU 10 5.522 2.301 -4.898 78 HD21 LEU 10 HD21 LEU 10 2.702 1.721 -5.809 79 HD22 LEU 10 HD22 LEU 10 2.090 3.341 -6.001 80 HD23 LEU 10 HD23 LEU 10 3.065 2.940 -4.565 81 H TRP 11 HN TRP 11 4.886 7.341 -7.699 82 HA TRP 11 HA TRP 11 5.965 8.970 -5.716 83 HB2 TRP 11 HB2 TRP 11 5.610 9.102 -8.667 84 HB3 TRP 11 HB3 TRP 11 5.728 10.653 -7.874 85 HD1 TRP 11 HD1 TRP 11 7.934 7.901 -9.106 86 HE1 TRP 11 HE1 TRP 11 10.310 8.224 -8.381 87 HE3 TRP 11 HE3 TRP 11 7.072 11.254 -5.373 88 HZ2 TRP 11 HZ2 TRP 11 11.702 9.699 -6.240 89 HZ3 TRP 11 HZ3 TRP 11 8.907 11.892 -3.835 90 HH2 TRP 11 HH2 TRP 11 11.231 11.147 -4.282 91 H ALA 12 HN ALA 12 2.783 9.270 -7.301 92 HA ALA 12 HA ALA 12 2.109 11.837 -6.379 93 HB1 ALA 12 HB1 ALA 12 -0.224 11.137 -6.776 94 HB2 ALA 12 HB2 ALA 12 0.851 10.619 -8.091 95 HB3 ALA 12 HB3 ALA 12 0.301 9.442 -6.877 96 H ILE 13 HN ILE 13 2.372 8.895 -4.427 97 HA ILE 13 HA ILE 13 0.665 9.877 -2.299 98 HB ILE 13 HB ILE 13 2.825 7.711 -2.313 99 HG12 ILE 13 HG12 ILE 13 0.716 6.303 -1.732 100 HG13 ILE 13 HG13 ILE 13 -0.228 7.689 -2.232 101 HG21 ILE 13 HG21 ILE 13 0.992 8.742 -0.141 102 HG22 ILE 13 HG22 ILE 13 1.807 7.182 -0.024 103 HG23 ILE 13 HG23 ILE 13 2.765 8.656 -0.087 104 HD11 ILE 13 HD11 ILE 13 1.610 5.953 -3.915 105 HD12 ILE 13 HD12 ILE 13 -0.155 6.053 -4.005 106 HD13 ILE 13 HD13 ILE 13 0.815 7.408 -4.560 107 H LEU 14 HN LEU 14 4.260 9.871 -2.888 108 HA LEU 14 HA LEU 14 4.781 11.294 -0.466 109 HB2 LEU 14 HB2 LEU 14 6.552 11.013 -2.929 110 HB3 LEU 14 HB3 LEU 14 7.046 11.486 -1.318 111 HG LEU 14 HG LEU 14 7.735 9.303 -1.496 112 HD11 LEU 14 HD11 LEU 14 6.576 7.990 0.124 113 HD12 LEU 14 HD12 LEU 14 5.060 8.874 -0.141 114 HD13 LEU 14 HD13 LEU 14 6.443 9.692 0.613 115 HD21 LEU 14 HD21 LEU 14 6.799 7.486 -2.430 116 HD22 LEU 14 HD22 LEU 14 6.478 8.781 -3.553 117 HD23 LEU 14 HD23 LEU 14 5.161 8.178 -2.507 118 H LYS 15 HN LYS 15 4.254 12.278 -3.842 119 HA LYS 15 HA LYS 15 4.723 15.110 -3.319 120 HB2 LYS 15 HB2 LYS 15 3.203 13.801 -5.597 121 HB3 LYS 15 HB3 LYS 15 3.746 15.478 -5.527 122 HG2 LYS 15 HG2 LYS 15 5.532 13.016 -5.664 123 HG3 LYS 15 HG3 LYS 15 5.209 14.166 -6.952 124 HD2 LYS 15 HD2 LYS 15 6.422 15.923 -5.783 125 HD3 LYS 15 HD3 LYS 15 6.587 14.911 -4.338 126 HE2 LYS 15 HE2 LYS 15 8.690 14.922 -5.502 127 HE3 LYS 15 HE3 LYS 15 7.976 13.312 -5.506 128 HZ1 LYS 15 HZ1 LYS 15 8.787 13.697 -7.665 129 HZ2 LYS 15 HZ2 LYS 15 8.103 15.198 -7.759 130 HZ3 LYS 15 HZ3 LYS 15 7.193 13.821 -7.809 131 H ASP 16 HN ASP 16 2.542 13.214 -1.878 132 HA ASP 16 HA ASP 16 0.803 13.616 -0.580 133 HB2 ASP 16 HB2 ASP 16 2.481 15.265 0.187 134 HB3 ASP 16 HB3 ASP 16 1.694 16.502 -0.791 135 H GLU 17 HN GLU 17 0.069 13.312 -3.346 136 HA GLU 17 HA GLU 17 -2.103 15.232 -3.694 137 HB2 GLU 17 HB2 GLU 17 -0.560 15.323 -5.440 138 HB3 GLU 17 HB3 GLU 17 -0.241 13.595 -5.425 139 HG2 GLU 17 HG2 GLU 17 -1.494 14.208 -7.377 140 HG3 GLU 17 HG3 GLU 17 -2.354 13.083 -6.319 141 H LEU 18 HN LEU 18 -1.304 11.685 -3.541 142 HA LEU 18 HA LEU 18 -3.954 10.704 -3.942 143 HB2 LEU 18 HB2 LEU 18 -1.575 9.719 -2.421 144 HB3 LEU 18 HB3 LEU 18 -3.070 9.145 -1.820 145 HG LEU 18 HG LEU 18 -2.178 7.539 -3.233 146 HD11 LEU 18 HD11 LEU 18 -4.120 6.762 -4.134 147 HD12 LEU 18 HD12 LEU 18 -4.548 8.360 -4.816 148 HD13 LEU 18 HD13 LEU 18 -4.673 8.047 -3.080 149 HD21 LEU 18 HD21 LEU 18 -0.932 8.997 -4.834 150 HD22 LEU 18 HD22 LEU 18 -2.473 9.453 -5.591 151 HD23 LEU 18 HD23 LEU 18 -1.908 7.772 -5.661 152 H SER 19 HN SER 19 -5.411 9.955 -2.323 153 HA SER 19 HA SER 19 -5.642 11.906 -0.071 154 HB2 SER 19 HB2 SER 19 -7.876 10.413 -1.513 155 HB3 SER 19 HB3 SER 19 -8.098 11.515 -0.139 156 HG SER 19 HG SER 19 -8.405 12.475 -2.227 157 H ASP 20 HN ASP 20 -7.159 10.881 1.714 158 HA ASP 20 HA ASP 20 -5.968 8.633 3.002 159 HB2 ASP 20 HB2 ASP 20 -8.253 8.628 4.238 160 HB3 ASP 20 HB3 ASP 20 -7.174 10.001 4.428 161 H ALA 21 HN ALA 21 -9.243 8.748 1.621 162 HA ALA 21 HA ALA 21 -9.784 6.084 1.444 163 HB1 ALA 21 HB1 ALA 21 -10.595 8.382 -0.403 164 HB2 ALA 21 HB2 ALA 21 -11.375 6.799 -0.394 165 HB3 ALA 21 HB3 ALA 21 -11.450 7.830 1.057 166 H GLU 22 HN GLU 22 -8.189 8.084 -1.038 167 HA GLU 22 HA GLU 22 -8.202 5.984 -3.001 168 HB2 GLU 22 HB2 GLU 22 -6.798 8.673 -2.848 169 HB3 GLU 22 HB3 GLU 22 -6.726 7.582 -4.238 170 HG2 GLU 22 HG2 GLU 22 -9.504 7.923 -3.593 171 HG3 GLU 22 HG3 GLU 22 -8.749 9.521 -3.562 172 H ALA 23 HN ALA 23 -5.596 7.222 -0.736 173 HA ALA 23 HA ALA 23 -3.579 5.565 -1.929 174 HB1 ALA 23 HB1 ALA 23 -2.314 5.928 0.132 175 HB2 ALA 23 HB2 ALA 23 -3.040 7.454 -0.390 176 HB3 ALA 23 HB3 ALA 23 -3.765 6.531 0.956 177 H ASN 24 HN ASN 24 -5.972 5.100 0.557 178 HA ASN 24 HA ASN 24 -5.242 2.456 1.505 179 HB2 ASN 24 HB2 ASN 24 -7.667 4.247 1.654 180 HB3 ASN 24 HB3 ASN 24 -7.901 2.532 1.811 181 HD21 ASN 24 HD21 ASN 24 -8.654 4.123 3.936 182 HD22 ASN 24 HD22 ASN 24 -7.545 3.884 5.267 183 H ALA 25 HN ALA 25 -7.609 3.648 -0.952 184 HA ALA 25 HA ALA 25 -8.441 1.204 -1.925 185 HB1 ALA 25 HB1 ALA 25 -9.467 3.318 -2.637 186 HB2 ALA 25 HB2 ALA 25 -8.001 3.710 -3.572 187 HB3 ALA 25 HB3 ALA 25 -8.972 2.305 -4.029 188 H LEU 26 HN LEU 26 -5.595 3.115 -3.272 189 HA LEU 26 HA LEU 26 -5.014 1.202 -5.207 190 HB2 LEU 26 HB2 LEU 26 -3.168 3.097 -3.697 191 HB3 LEU 26 HB3 LEU 26 -2.715 2.202 -5.136 192 HG LEU 26 HG LEU 26 -4.861 4.352 -4.994 193 HD11 LEU 26 HD11 LEU 26 -3.342 5.681 -6.335 194 HD12 LEU 26 HD12 LEU 26 -2.161 4.349 -6.387 195 HD13 LEU 26 HD13 LEU 26 -2.525 5.172 -4.852 196 HD21 LEU 26 HD21 LEU 26 -3.914 2.744 -7.398 197 HD22 LEU 26 HD22 LEU 26 -4.932 4.212 -7.457 198 HD23 LEU 26 HD23 LEU 26 -5.549 2.771 -6.681 199 H VAL 27 HN VAL 27 -4.374 0.914 -1.755 200 HA VAL 27 HA VAL 27 -2.574 -1.392 -2.136 201 HB VAL 27 HB VAL 27 -3.829 -0.091 0.315 202 HG11 VAL 27 HG11 VAL 27 -2.331 -1.533 1.665 203 HG12 VAL 27 HG12 VAL 27 -3.569 -2.464 0.826 204 HG13 VAL 27 HG13 VAL 27 -1.905 -2.452 0.209 205 HG21 VAL 27 HG21 VAL 27 -2.023 1.213 -0.745 206 HG22 VAL 27 HG22 VAL 27 -1.506 0.532 0.795 207 HG23 VAL 27 HG23 VAL 27 -0.961 -0.219 -0.716 208 H TRP 28 HN TRP 28 -5.929 -0.775 -0.956 209 HA TRP 28 HA TRP 28 -6.733 -3.388 -0.452 210 HB2 TRP 28 HB2 TRP 28 -8.334 -1.068 -1.596 211 HB3 TRP 28 HB3 TRP 28 -9.027 -2.527 -0.947 212 HD1 TRP 28 HD1 TRP 28 -6.807 -2.324 1.659 213 HE1 TRP 28 HE1 TRP 28 -7.590 -0.850 3.650 214 HE3 TRP 28 HE3 TRP 28 -10.173 0.696 -0.761 215 HZ2 TRP 28 HZ2 TRP 28 -9.427 1.237 4.129 216 HZ3 TRP 28 HZ3 TRP 28 -11.283 2.515 0.456 217 HH2 TRP 28 HH2 TRP 28 -10.964 2.783 2.913 218 H GLN 29 HN GLN 29 -6.847 -1.627 -3.578 219 HA GLN 29 HA GLN 29 -8.060 -3.712 -5.077 220 HB2 GLN 29 HB2 GLN 29 -7.210 -2.516 -7.059 221 HB3 GLN 29 HB3 GLN 29 -7.984 -1.440 -5.890 222 HG2 GLN 29 HG2 GLN 29 -5.715 -0.771 -5.177 223 HG3 GLN 29 HG3 GLN 29 -4.995 -1.828 -6.320 224 HE21 GLN 29 HE21 GLN 29 -7.809 0.317 -7.004 225 HE22 GLN 29 HE22 GLN 29 -6.949 1.327 -8.107 226 H ALA 30 HN ALA 30 -4.637 -3.047 -4.464 227 HA ALA 30 HA ALA 30 -3.575 -4.898 -6.365 228 HB1 ALA 30 HB1 ALA 30 -2.270 -3.001 -5.519 229 HB2 ALA 30 HB2 ALA 30 -2.311 -3.680 -3.878 230 HB3 ALA 30 HB3 ALA 30 -1.447 -4.536 -5.177 231 H LEU 31 HN LEU 31 -4.275 -5.198 -2.875 232 HA LEU 31 HA LEU 31 -3.607 -7.997 -2.603 233 HB2 LEU 31 HB2 LEU 31 -5.435 -6.032 -1.227 234 HB3 LEU 31 HB3 LEU 31 -5.741 -7.755 -1.007 235 HG LEU 31 HG LEU 31 -3.838 -8.177 0.181 236 HD11 LEU 31 HD11 LEU 31 -2.130 -7.174 -1.214 237 HD12 LEU 31 HD12 LEU 31 -1.931 -6.704 0.466 238 HD13 LEU 31 HD13 LEU 31 -2.634 -5.544 -0.692 239 HD21 LEU 31 HD21 LEU 31 -5.506 -6.527 1.270 240 HD22 LEU 31 HD22 LEU 31 -4.369 -5.254 0.826 241 HD23 LEU 31 HD23 LEU 31 -3.879 -6.542 1.963 242 H GLY 32 HN GLY 32 -6.831 -6.465 -3.139 243 HA2 GLY 32 HA2 GLY 32 -7.844 -7.595 -5.289 244 HA3 GLY 32 HA1 GLY 32 -7.766 -9.038 -4.310 245 H TYR 33 HN TYR 33 -8.380 -6.636 -2.089 246 HA TYR 33 HA TYR 33 -11.179 -7.273 -1.752 247 HB2 TYR 33 HB2 TYR 33 -9.435 -5.204 -0.414 248 HB3 TYR 33 HB3 TYR 33 -11.060 -5.679 0.061 249 HD1 TYR 33 HD1 TYR 33 -7.582 -6.890 -0.248 250 HD2 TYR 33 HD2 TYR 33 -11.392 -7.383 1.694 251 HE1 TYR 33 HE1 TYR 33 -6.525 -8.340 1.494 252 HE2 TYR 33 HE2 TYR 33 -10.337 -8.695 3.471 253 HH TYR 33 HH TYR 33 -8.196 -9.343 4.407 254 H VAL 34 HN VAL 34 -11.459 -6.555 -4.049 255 HA VAL 34 HA VAL 34 -11.843 -3.644 -4.484 256 HB VAL 34 HB VAL 34 -12.045 -6.134 -6.238 257 HG11 VAL 34 HG11 VAL 34 -13.710 -4.608 -7.121 258 HG12 VAL 34 HG12 VAL 34 -12.553 -3.255 -7.098 259 HG13 VAL 34 HG13 VAL 34 -12.322 -4.646 -8.192 260 HG21 VAL 34 HG21 VAL 34 -9.773 -5.403 -5.663 261 HG22 VAL 34 HG22 VAL 34 -10.106 -5.064 -7.379 262 HG23 VAL 34 HG23 VAL 34 -10.154 -3.751 -6.188 263 H TRP 35 HN TRP 35 -13.918 -2.776 -4.699 264 HA TRP 35 HA TRP 35 -16.073 -4.201 -3.378 265 HB2 TRP 35 HB2 TRP 35 -15.866 -1.824 -3.174 266 HB3 TRP 35 HB3 TRP 35 -15.944 -1.577 -4.910 267 HD1 TRP 35 HD1 TRP 35 -18.318 -1.173 -5.878 268 HE1 TRP 35 HE1 TRP 35 -20.686 -1.310 -5.018 269 HE3 TRP 35 HE3 TRP 35 -17.392 -3.450 -1.314 270 HZ2 TRP 35 HZ2 TRP 35 -22.051 -2.211 -2.607 271 HZ3 TRP 35 HZ3 TRP 35 -19.265 -3.932 0.185 272 HH2 TRP 35 HH2 TRP 35 -21.581 -3.340 -0.449 273 H ASP 36 HN ASP 36 -17.683 -5.350 -4.222 274 HA ASP 36 HA ASP 36 -17.868 -5.664 -7.161 275 HB2 ASP 36 HB2 ASP 36 -17.188 -7.601 -5.399 276 HB3 ASP 36 HB3 ASP 36 -18.905 -7.772 -5.267 277 H GLU 37 HN GLU 37 -19.239 -3.974 -7.474 278 HA GLU 37 HA GLU 37 -21.409 -3.217 -5.862 279 HB2 GLU 37 HB2 GLU 37 -20.374 -1.751 -7.479 280 HB3 GLU 37 HB3 GLU 37 -20.772 -2.830 -8.794 281 HG2 GLU 37 HG2 GLU 37 -23.236 -2.384 -8.319 282 HG3 GLU 37 HG3 GLU 37 -22.714 -1.147 -7.171 283 H ALA 38 HN ALA 38 -21.184 -5.723 -8.289 284 HA ALA 38 HA ALA 38 -23.956 -6.158 -8.869 285 HB1 ALA 38 HB1 ALA 38 -21.602 -8.119 -8.771 286 HB2 ALA 38 HB2 ALA 38 -23.197 -8.482 -9.434 287 HB3 ALA 38 HB3 ALA 38 -22.201 -7.255 -10.214 288 H GLN 39 HN GLN 39 -21.736 -7.478 -6.412 289 HA GLN 39 HA GLN 39 -23.906 -9.082 -5.258 290 HB2 GLN 39 HB2 GLN 39 -20.928 -8.945 -4.678 291 HB3 GLN 39 HB3 GLN 39 -22.080 -10.016 -3.872 292 HG2 GLN 39 HG2 GLN 39 -22.629 -11.046 -6.087 293 HG3 GLN 39 HG3 GLN 39 -21.285 -10.108 -6.762 294 HE21 GLN 39 HE21 GLN 39 -19.154 -10.761 -6.301 295 HE22 GLN 39 HE22 GLN 39 -18.754 -12.201 -5.353 296 H SER 40 HN SER 40 -22.380 -6.055 -4.786 297 HA SER 40 HA SER 40 -22.069 -4.606 -3.275 298 HB2 SER 40 HB2 SER 40 -24.566 -5.601 -1.858 299 HB3 SER 40 HB3 SER 40 -23.763 -4.029 -1.691 300 HG SER 40 HG SER 40 -25.109 -5.106 -3.934 301 H CYS 41 HN CYS 41 -20.290 -6.454 -3.018 302 HA CYS 41 HA CYS 41 -19.756 -6.350 -0.173 303 HB2 CYS 41 HB2 CYS 41 -19.107 -8.760 0.001 304 HB3 CYS 41 HB3 CYS 41 -20.839 -8.477 -0.161 305 HG CYS 41 HG CYS 41 -20.003 -10.667 -1.354 306 H TRP 42 HN TRP 42 -17.415 -7.192 0.206 307 HA TRP 42 HA TRP 42 -15.644 -6.042 -1.842 308 HB2 TRP 42 HB2 TRP 42 -15.092 -7.375 0.855 309 HB3 TRP 42 HB3 TRP 42 -13.902 -6.546 -0.143 310 HD1 TRP 42 HD1 TRP 42 -16.392 -5.900 2.549 311 HE1 TRP 42 HE1 TRP 42 -16.921 -3.420 2.843 312 HE3 TRP 42 HE3 TRP 42 -13.947 -4.088 -1.543 313 HZ2 TRP 42 HZ2 TRP 42 -16.231 -0.936 1.571 314 HZ3 TRP 42 HZ3 TRP 42 -13.885 -1.651 -1.981 315 HH2 TRP 42 HH2 TRP 42 -15.048 -0.086 -0.461 316 H LYS 43 HN LYS 43 -14.137 -7.337 -3.082 317 HA LYS 43 HA LYS 43 -14.886 -10.150 -3.366 318 HB2 LYS 43 HB2 LYS 43 -12.809 -8.435 -4.757 319 HB3 LYS 43 HB3 LYS 43 -13.031 -10.180 -5.035 320 HG2 LYS 43 HG2 LYS 43 -15.567 -9.594 -5.317 321 HG3 LYS 43 HG3 LYS 43 -14.998 -7.938 -5.524 322 HD2 LYS 43 HD2 LYS 43 -14.084 -10.339 -7.142 323 HD3 LYS 43 HD3 LYS 43 -15.429 -9.262 -7.582 324 HE2 LYS 43 HE2 LYS 43 -13.805 -7.317 -7.447 325 HE3 LYS 43 HE3 LYS 43 -12.502 -8.523 -7.391 326 HZ1 LYS 43 HZ1 LYS 43 -13.005 -7.683 -9.650 327 HZ2 LYS 43 HZ2 LYS 43 -14.544 -8.242 -9.536 328 HZ3 LYS 43 HZ3 LYS 43 -13.320 -9.316 -9.578 329 H THR 44 HN THR 44 -13.937 -11.832 -2.603 330 HA THR 44 HA THR 44 -11.256 -11.479 -1.377 331 HB THR 44 HB THR 44 -11.559 -13.058 0.384 332 HG1 THR 44 HG1 THR 44 -13.568 -14.064 -0.687 333 HG21 THR 44 HG21 THR 44 -11.878 -10.640 0.779 334 HG22 THR 44 HG22 THR 44 -12.876 -11.634 1.848 335 HG23 THR 44 HG23 THR 44 -13.620 -10.803 0.472 336 H ASP 45 HN ASP 45 -12.522 -12.520 -4.077 337 HA ASP 45 HA ASP 45 -11.318 -15.198 -4.167 338 HB2 ASP 45 HB2 ASP 45 -12.477 -13.359 -6.289 339 HB3 ASP 45 HB3 ASP 45 -11.869 -14.988 -6.609 340 H LEU 46 HN LEU 46 -10.627 -11.970 -5.499 341 HA LEU 46 HA LEU 46 -8.310 -12.857 -6.954 342 HB2 LEU 46 HB2 LEU 46 -9.838 -10.280 -6.586 343 HB3 LEU 46 HB3 LEU 46 -8.313 -10.267 -7.444 344 HG LEU 46 HG LEU 46 -10.814 -11.773 -8.270 345 HD11 LEU 46 HD11 LEU 46 -10.852 -9.379 -8.755 346 HD12 LEU 46 HD12 LEU 46 -10.615 -10.269 -10.259 347 HD13 LEU 46 HD13 LEU 46 -9.241 -9.458 -9.491 348 HD21 LEU 46 HD21 LEU 46 -9.026 -13.209 -8.924 349 HD22 LEU 46 HD22 LEU 46 -7.989 -11.850 -9.428 350 HD23 LEU 46 HD23 LEU 46 -9.437 -12.299 -10.357 351 H VAL 47 HN VAL 47 -8.234 -12.852 -3.958 352 HA VAL 47 HA VAL 47 -5.790 -11.285 -3.433 353 HB VAL 47 HB VAL 47 -7.566 -10.064 -2.438 354 HG11 VAL 47 HG11 VAL 47 -9.168 -11.089 -0.801 355 HG12 VAL 47 HG12 VAL 47 -9.442 -11.112 -2.545 356 HG13 VAL 47 HG13 VAL 47 -8.824 -12.579 -1.745 357 HG21 VAL 47 HG21 VAL 47 -6.592 -11.737 -0.132 358 HG22 VAL 47 HG22 VAL 47 -5.635 -10.433 -0.883 359 HG23 VAL 47 HG23 VAL 47 -7.184 -10.092 -0.083 360 H ALA 48 HN ALA 48 -4.345 -12.253 -1.913 361 HA ALA 48 HA ALA 48 -4.205 -15.100 -2.067 362 HB1 ALA 48 HB1 ALA 48 -2.200 -13.665 -1.832 363 HB2 ALA 48 HB2 ALA 48 -2.758 -13.135 -0.232 364 HB3 ALA 48 HB3 ALA 48 -2.285 -14.824 -0.504 365 HA PRO 49 HA PRO 49 -6.848 -16.284 1.305 366 HB2 PRO 49 HB2 PRO 49 -5.614 -18.511 2.285 367 HB3 PRO 49 HB3 PRO 49 -6.520 -18.446 0.741 368 HG2 PRO 49 HG2 PRO 49 -3.526 -18.227 1.128 369 HG3 PRO 49 HG3 PRO 49 -4.436 -19.238 -0.045 370 HD2 PRO 49 HD2 PRO 49 -3.393 -16.849 -0.764 371 HD3 PRO 49 HD3 PRO 49 -4.992 -17.373 -1.374 372 H GLU 50 HN GLU 50 -3.339 -15.889 1.906 373 HA GLU 50 HA GLU 50 -3.428 -15.875 4.711 374 HB2 GLU 50 HB2 GLU 50 -1.168 -15.133 4.536 375 HB3 GLU 50 HB3 GLU 50 -1.478 -16.218 3.176 376 HG2 GLU 50 HG2 GLU 50 -1.930 -14.049 1.793 377 HG3 GLU 50 HG3 GLU 50 -1.209 -13.216 3.124 378 H TRP 51 HN TRP 51 -4.402 -13.383 2.465 379 HA TRP 51 HA TRP 51 -4.271 -11.252 4.530 380 HB2 TRP 51 HB2 TRP 51 -4.776 -11.304 1.564 381 HB3 TRP 51 HB3 TRP 51 -5.496 -10.031 2.525 382 HD1 TRP 51 HD1 TRP 51 -2.299 -10.903 0.870 383 HE1 TRP 51 HE1 TRP 51 -0.482 -9.267 1.451 384 HE3 TRP 51 HE3 TRP 51 -4.739 -8.270 4.587 385 HZ2 TRP 51 HZ2 TRP 51 -0.082 -7.003 3.229 386 HZ3 TRP 51 HZ3 TRP 51 -3.595 -6.367 5.663 387 HH2 TRP 51 HH2 TRP 51 -1.264 -5.763 5.051 388 H ARG 52 HN ARG 52 -6.734 -12.679 2.361 389 HA ARG 52 HA ARG 52 -9.013 -11.458 3.558 390 HB2 ARG 52 HB2 ARG 52 -10.284 -12.902 2.223 391 HB3 ARG 52 HB3 ARG 52 -8.921 -12.197 1.344 392 HG2 ARG 52 HG2 ARG 52 -7.708 -14.475 2.013 393 HG3 ARG 52 HG3 ARG 52 -9.358 -15.040 2.267 394 HD2 ARG 52 HD2 ARG 52 -9.478 -13.704 -0.189 395 HD3 ARG 52 HD3 ARG 52 -7.894 -14.342 -0.251 396 HE ARG 52 HE ARG 52 -9.981 -16.190 0.687 397 HH11 ARG 52 HH11 ARG 52 -8.022 -15.399 -2.213 398 HH12 ARG 52 HH12 ARG 52 -8.661 -16.742 -3.097 399 HH21 ARG 52 HH21 ARG 52 -10.735 -17.867 -0.475 400 HH22 ARG 52 HH22 ARG 52 -10.329 -18.105 -2.151 401 H GLN 53 HN GLN 53 -7.123 -14.094 4.689 402 HA GLN 53 HA GLN 53 -8.602 -16.047 5.541 403 HB2 GLN 53 HB2 GLN 53 -5.994 -15.127 6.026 404 HB3 GLN 53 HB3 GLN 53 -6.666 -15.278 7.636 405 HG2 GLN 53 HG2 GLN 53 -7.327 -17.606 7.170 406 HG3 GLN 53 HG3 GLN 53 -6.719 -17.457 5.510 407 HE21 GLN 53 HE21 GLN 53 -4.851 -18.705 5.420 408 HE22 GLN 53 HE22 GLN 53 -3.551 -18.608 6.601 409 H ASP 54 HN ASP 54 -8.256 -13.086 7.463 410 HA ASP 54 HA ASP 54 -10.530 -13.887 9.174 411 HB2 ASP 54 HB2 ASP 54 -7.714 -13.195 10.066 412 HB3 ASP 54 HB3 ASP 54 -9.111 -13.073 11.140 413 H TYR 55 HN TYR 55 -9.734 -11.938 6.953 414 HA TYR 55 HA TYR 55 -10.129 -9.247 8.174 415 HB2 TYR 55 HB2 TYR 55 -8.684 -10.214 5.744 416 HB3 TYR 55 HB3 TYR 55 -9.385 -8.602 5.769 417 HD1 TYR 55 HD2 TYR 55 -7.363 -10.621 8.257 418 HD2 TYR 55 HD1 TYR 55 -7.858 -6.883 6.118 419 HE1 TYR 55 HE2 TYR 55 -5.530 -9.651 9.524 420 HE2 TYR 55 HE1 TYR 55 -5.953 -5.968 7.311 421 HH TYR 55 HH TYR 55 -4.883 -6.234 9.430 422 HA PRO 56 HA PRO 56 -14.026 -10.448 5.837 423 HB2 PRO 56 HB2 PRO 56 -15.872 -9.265 7.470 424 HB3 PRO 56 HB3 PRO 56 -15.101 -10.821 7.896 425 HG2 PRO 56 HG2 PRO 56 -14.288 -8.044 8.808 426 HG3 PRO 56 HG3 PRO 56 -14.573 -9.488 9.823 427 HD2 PRO 56 HD2 PRO 56 -12.077 -8.768 8.999 428 HD3 PRO 56 HD3 PRO 56 -12.538 -10.501 9.108 429 H GLU 57 HN GLU 57 -12.440 -7.482 6.552 430 HA GLU 57 HA GLU 57 -14.054 -5.800 4.790 431 HB2 GLU 57 HB2 GLU 57 -14.070 -5.809 7.790 432 HB3 GLU 57 HB3 GLU 57 -13.802 -4.228 7.073 433 HG2 GLU 57 HG2 GLU 57 -15.846 -4.263 5.859 434 HG3 GLU 57 HG3 GLU 57 -16.075 -5.993 6.123 435 HA PRO 58 HA PRO 58 -10.138 -3.976 4.025 436 HB2 PRO 58 HB2 PRO 58 -10.942 -1.221 4.846 437 HB3 PRO 58 HB3 PRO 58 -10.420 -1.814 3.251 438 HG2 PRO 58 HG2 PRO 58 -13.028 -1.114 3.817 439 HG3 PRO 58 HG3 PRO 58 -12.599 -2.379 2.629 440 HD2 PRO 58 HD2 PRO 58 -13.524 -2.685 5.467 441 HD3 PRO 58 HD3 PRO 58 -13.917 -3.681 4.034 442 HA PRO 59 HA PRO 59 -8.406 -2.641 8.100 443 HB2 PRO 59 HB2 PRO 59 -5.788 -2.358 7.481 444 HB3 PRO 59 HB3 PRO 59 -6.559 -3.960 7.677 445 HG2 PRO 59 HG2 PRO 59 -5.962 -2.472 5.111 446 HG3 PRO 59 HG3 PRO 59 -5.665 -4.199 5.480 447 HD2 PRO 59 HD2 PRO 59 -7.897 -3.191 4.136 448 HD3 PRO 59 HD3 PRO 59 -7.894 -4.746 5.025 449 H ASP 60 HN ASP 60 -7.535 -0.459 8.760 450 HA ASP 60 HA ASP 60 -7.439 1.565 6.565 451 HB2 ASP 60 HB2 ASP 60 -9.180 1.998 8.293 452 HB3 ASP 60 HB3 ASP 60 -7.898 2.038 9.537 453 H PHE 61 HN PHE 61 -5.441 2.262 6.082 454 HA PHE 61 HA PHE 61 -3.213 1.859 8.014 455 HB2 PHE 61 HB2 PHE 61 -3.295 2.803 5.129 456 HB3 PHE 61 HB3 PHE 61 -1.835 2.582 6.087 457 HD1 PHE 61 HD1 PHE 61 -1.202 0.348 6.974 458 HD2 PHE 61 HD2 PHE 61 -4.409 0.846 4.131 459 HE1 PHE 61 HE1 PHE 61 -1.024 -2.053 6.348 460 HE2 PHE 61 HE2 PHE 61 -4.315 -1.557 3.604 461 HZ PHE 61 HZ PHE 61 -2.642 -3.019 4.752 462 H ILE 62 HN ILE 62 -5.427 4.356 7.015 463 HA ILE 62 HA ILE 62 -3.611 6.569 7.320 464 HB ILE 62 HB ILE 62 -6.659 6.484 7.295 465 HG12 ILE 62 HG12 ILE 62 -5.852 5.471 5.257 466 HG13 ILE 62 HG13 ILE 62 -6.558 7.025 4.913 467 HG21 ILE 62 HG21 ILE 62 -4.744 8.793 6.826 468 HG22 ILE 62 HG22 ILE 62 -6.495 8.806 6.483 469 HG23 ILE 62 HG23 ILE 62 -5.924 8.607 8.142 470 HD11 ILE 62 HD11 ILE 62 -4.260 8.001 4.702 471 HD12 ILE 62 HD12 ILE 62 -3.576 6.406 5.042 472 HD13 ILE 62 HD13 ILE 62 -4.535 6.651 3.581 473 H ALA 63 HN ALA 63 -6.403 5.369 9.349 474 HA ALA 63 HA ALA 63 -5.508 7.142 11.490 475 HB1 ALA 63 HB1 ALA 63 -7.586 6.616 12.494 476 HB2 ALA 63 HB2 ALA 63 -7.897 6.743 10.754 477 HB3 ALA 63 HB3 ALA 63 -7.776 5.145 11.506 478 H SER 64 HN SER 64 -5.087 3.752 10.738 479 HA SER 64 HA SER 64 -4.605 3.043 13.585 480 HB2 SER 64 HB2 SER 64 -6.630 2.205 12.073 481 HB3 SER 64 HB3 SER 64 -5.417 1.050 11.507 482 HG SER 64 HG SER 64 -6.502 1.499 14.063 483 H ARG 65 HN ARG 65 -3.242 0.766 13.643 484 HA ARG 65 HA ARG 65 -1.650 0.523 11.274 485 HB2 ARG 65 HB2 ARG 65 0.599 0.592 12.287 486 HB3 ARG 65 HB3 ARG 65 -0.237 2.109 12.404 487 HG2 ARG 65 HG2 ARG 65 0.861 1.996 14.388 488 HG3 ARG 65 HG3 ARG 65 -0.762 1.513 14.861 489 HD2 ARG 65 HD2 ARG 65 -0.084 -0.756 15.134 490 HD3 ARG 65 HD3 ARG 65 1.415 -0.516 14.206 491 HE ARG 65 HE ARG 65 1.761 1.129 16.355 492 HH11 ARG 65 HH11 ARG 65 1.122 -2.377 15.959 493 HH12 ARG 65 HH12 ARG 65 1.731 -2.782 17.518 494 HH21 ARG 65 HH21 ARG 65 2.690 0.530 18.352 495 HH22 ARG 65 HH22 ARG 65 2.639 -1.114 18.903 496 HA PRO 66 HA PRO 66 -2.077 -3.580 13.454 497 HB2 PRO 66 HB2 PRO 66 -4.338 -4.665 12.350 498 HB3 PRO 66 HB3 PRO 66 -4.301 -3.744 13.880 499 HG2 PRO 66 HG2 PRO 66 -5.055 -2.707 11.127 500 HG3 PRO 66 HG3 PRO 66 -5.899 -2.446 12.688 501 HD2 PRO 66 HD2 PRO 66 -4.195 -0.631 11.612 502 HD3 PRO 66 HD3 PRO 66 -4.315 -0.902 13.381 503 H ALA 67 HN ALA 67 -3.355 -2.872 10.131 504 HA ALA 67 HA ALA 67 -2.089 -5.214 9.059 505 HB1 ALA 67 HB1 ALA 67 -2.811 -4.318 6.864 506 HB2 ALA 67 HB2 ALA 67 -4.116 -4.378 8.052 507 HB3 ALA 67 HB3 ALA 67 -3.347 -2.827 7.665 508 H THR 68 HN THR 68 -0.720 -2.088 9.819 509 HA THR 68 HA THR 68 1.312 -1.882 7.939 510 HB THR 68 HB THR 68 1.438 -1.419 10.944 511 HG1 THR 68 HG1 THR 68 0.723 0.336 8.842 512 HG21 THR 68 HG21 THR 68 2.985 0.473 10.253 513 HG22 THR 68 HG22 THR 68 3.098 -0.307 8.659 514 HG23 THR 68 HG23 THR 68 3.654 -1.160 10.110 515 H VAL 69 HN VAL 69 1.102 -4.136 10.734 516 HA VAL 69 HA VAL 69 3.714 -5.310 10.387 517 HB VAL 69 HB VAL 69 1.183 -6.601 11.504 518 HG11 VAL 69 HG11 VAL 69 3.056 -8.185 11.206 519 HG12 VAL 69 HG12 VAL 69 4.144 -7.084 12.087 520 HG13 VAL 69 HG13 VAL 69 2.798 -7.876 12.924 521 HG21 VAL 69 HG21 VAL 69 1.794 -5.825 13.704 522 HG22 VAL 69 HG22 VAL 69 3.204 -4.967 13.065 523 HG23 VAL 69 HG23 VAL 69 1.546 -4.429 12.666 524 H LYS 70 HN LYS 70 0.438 -6.006 9.150 525 HA LYS 70 HA LYS 70 1.203 -8.456 7.906 526 HB2 LYS 70 HB2 LYS 70 -1.082 -7.770 8.758 527 HB3 LYS 70 HB3 LYS 70 -1.287 -6.828 7.278 528 HG2 LYS 70 HG2 LYS 70 -1.142 -8.829 5.918 529 HG3 LYS 70 HG3 LYS 70 -0.477 -9.760 7.244 530 HD2 LYS 70 HD2 LYS 70 -2.677 -9.495 8.488 531 HD3 LYS 70 HD3 LYS 70 -3.314 -8.689 7.049 532 HE2 LYS 70 HE2 LYS 70 -4.021 -10.936 6.825 533 HE3 LYS 70 HE3 LYS 70 -2.641 -10.790 5.731 534 HZ1 LYS 70 HZ1 LYS 70 -2.718 -12.059 8.380 535 HZ2 LYS 70 HZ2 LYS 70 -1.287 -11.795 7.581 536 HZ3 LYS 70 HZ3 LYS 70 -2.449 -12.754 6.916 537 H LEU 71 HN LEU 71 1.214 -5.094 6.766 538 HA LEU 71 HA LEU 71 1.883 -5.674 4.030 539 HB2 LEU 71 HB2 LEU 71 2.831 -3.425 5.828 540 HB3 LEU 71 HB3 LEU 71 3.157 -3.492 4.113 541 HG LEU 71 HG LEU 71 0.410 -3.391 5.261 542 HD11 LEU 71 HD11 LEU 71 1.697 -1.349 5.871 543 HD12 LEU 71 HD12 LEU 71 0.517 -0.934 4.607 544 HD13 LEU 71 HD13 LEU 71 2.223 -1.177 4.187 545 HD21 LEU 71 HD21 LEU 71 0.516 -4.163 2.874 546 HD22 LEU 71 HD22 LEU 71 1.173 -2.544 2.486 547 HD23 LEU 71 HD23 LEU 71 -0.434 -2.707 3.171 548 H THR 72 HN THR 72 3.936 -5.359 7.041 549 HA THR 72 HA THR 72 6.395 -5.658 5.702 550 HB THR 72 HB THR 72 5.497 -6.060 8.573 551 HG1 THR 72 HG1 THR 72 7.182 -4.034 7.718 552 HG21 THR 72 HG21 THR 72 7.533 -7.344 8.295 553 HG22 THR 72 HG22 THR 72 7.871 -5.852 9.193 554 HG23 THR 72 HG23 THR 72 8.321 -5.976 7.469 555 H ARG 73 HN ARG 73 4.123 -8.113 6.857 556 HA ARG 73 HA ARG 73 5.681 -10.361 6.581 557 HB2 ARG 73 HB2 ARG 73 2.853 -10.022 5.539 558 HB3 ARG 73 HB3 ARG 73 3.601 -11.568 5.794 559 HG2 ARG 73 HG2 ARG 73 3.402 -9.657 8.140 560 HG3 ARG 73 HG3 ARG 73 1.954 -10.466 7.559 561 HD2 ARG 73 HD2 ARG 73 3.155 -11.543 9.483 562 HD3 ARG 73 HD3 ARG 73 2.677 -12.575 8.133 563 HE ARG 73 HE ARG 73 5.460 -11.583 8.682 564 HH11 ARG 73 HH11 ARG 73 3.397 -14.122 7.193 565 HH12 ARG 73 HH12 ARG 73 4.763 -14.860 6.416 566 HH21 ARG 73 HH21 ARG 73 7.117 -12.677 7.888 567 HH22 ARG 73 HH22 ARG 73 6.974 -14.146 6.985 568 H SER 74 HN SER 74 4.686 -8.242 3.992 569 HA SER 74 HA SER 74 5.705 -10.024 1.859 570 HB2 SER 74 HB2 SER 74 3.960 -7.513 1.768 571 HB3 SER 74 HB3 SER 74 4.412 -8.532 0.380 572 HG SER 74 HG SER 74 2.422 -9.140 1.061 573 H ILE 75 HN ILE 75 7.189 -7.825 3.818 574 HA ILE 75 HA ILE 75 8.607 -6.439 1.597 575 HB ILE 75 HB ILE 75 8.384 -5.651 4.509 576 HG12 ILE 75 HG12 ILE 75 7.089 -4.389 2.030 577 HG13 ILE 75 HG13 ILE 75 6.240 -5.343 3.231 578 HG21 ILE 75 HG21 ILE 75 9.616 -3.706 3.952 579 HG22 ILE 75 HG22 ILE 75 10.508 -4.998 3.160 580 HG23 ILE 75 HG23 ILE 75 9.434 -3.971 2.203 581 HD11 ILE 75 HD11 ILE 75 6.979 -3.673 4.989 582 HD12 ILE 75 HD12 ILE 75 7.507 -2.629 3.649 583 HD13 ILE 75 HD13 ILE 75 5.802 -3.099 3.795 584 HA PRO 76 HA PRO 76 11.262 -9.794 3.223 585 HB2 PRO 76 HB2 PRO 76 12.514 -10.575 0.927 586 HB3 PRO 76 HB3 PRO 76 10.783 -10.921 1.178 587 HG2 PRO 76 HG2 PRO 76 11.897 -8.539 -0.278 588 HG3 PRO 76 HG3 PRO 76 10.753 -9.794 -0.886 589 HD2 PRO 76 HD2 PRO 76 9.766 -7.531 0.169 590 HD3 PRO 76 HD3 PRO 76 9.054 -9.104 0.618 591 H ALA 77 HN ALA 77 13.767 -10.152 2.974 592 HA ALA 77 HA ALA 77 15.124 -7.845 3.922 593 HB1 ALA 77 HB1 ALA 77 16.192 -10.490 2.857 594 HB2 ALA 77 HB2 ALA 77 17.161 -9.250 3.663 595 HB3 ALA 77 HB3 ALA 77 15.851 -10.065 4.544 596 HA PRO 78 HA PRO 78 16.970 -7.284 -0.466 597 HB2 PRO 78 HB2 PRO 78 15.510 -8.255 -2.629 598 HB3 PRO 78 HB3 PRO 78 16.918 -9.060 -1.874 599 HG2 PRO 78 HG2 PRO 78 13.968 -9.524 -1.299 600 HG3 PRO 78 HG3 PRO 78 15.238 -10.754 -1.594 601 HD2 PRO 78 HD2 PRO 78 14.594 -10.248 0.887 602 HD3 PRO 78 HD3 PRO 78 16.317 -10.297 0.461 603 H TYR 79 HN TYR 79 13.637 -6.796 0.539 604 HA TYR 79 HA TYR 79 13.517 -4.454 -1.279 605 HB2 TYR 79 HB2 TYR 79 11.170 -6.179 -0.675 606 HB3 TYR 79 HB3 TYR 79 11.041 -4.829 -1.505 607 HD1 TYR 79 HD1 TYR 79 13.457 -4.970 -3.269 608 HD2 TYR 79 HD2 TYR 79 10.469 -7.903 -2.204 609 HE1 TYR 79 HE1 TYR 79 13.879 -6.028 -5.270 610 HE2 TYR 79 HE2 TYR 79 10.875 -9.040 -4.313 611 HH TYR 79 HH TYR 79 11.954 -8.401 -6.743 612 H LYS 80 HN LYS 80 14.505 -4.202 1.303 613 HA LYS 80 HA LYS 80 12.287 -3.372 3.065 614 HB2 LYS 80 HB2 LYS 80 15.290 -2.957 3.305 615 HB3 LYS 80 HB3 LYS 80 14.104 -2.493 4.530 616 HG2 LYS 80 HG2 LYS 80 14.575 -5.345 3.550 617 HG3 LYS 80 HG3 LYS 80 15.294 -4.636 4.986 618 HD2 LYS 80 HD2 LYS 80 12.963 -4.204 5.873 619 HD3 LYS 80 HD3 LYS 80 12.333 -5.101 4.476 620 HE2 LYS 80 HE2 LYS 80 12.394 -6.695 6.170 621 HE3 LYS 80 HE3 LYS 80 13.830 -7.031 5.208 622 HZ1 LYS 80 HZ1 LYS 80 13.718 -5.630 7.820 623 HZ2 LYS 80 HZ2 LYS 80 15.077 -5.682 6.907 624 HZ3 LYS 80 HZ3 LYS 80 14.431 -7.081 7.466 625 H GLN 81 HN GLN 81 14.209 -1.807 0.544 626 HA GLN 81 HA GLN 81 13.270 0.873 1.507 627 HB2 GLN 81 HB2 GLN 81 16.036 0.149 0.510 628 HB3 GLN 81 HB3 GLN 81 15.499 1.653 1.282 629 HG2 GLN 81 HG2 GLN 81 14.913 0.164 3.315 630 HG3 GLN 81 HG3 GLN 81 15.927 -1.057 2.532 631 HE21 GLN 81 HE21 GLN 81 18.153 -0.916 2.708 632 HE22 GLN 81 HE22 GLN 81 18.989 0.409 3.489 633 H LEU 82 HN LEU 82 12.327 -0.704 -1.034 634 HA LEU 82 HA LEU 82 13.705 0.605 -3.085 635 HB2 LEU 82 HB2 LEU 82 11.028 -0.546 -3.731 636 HB3 LEU 82 HB3 LEU 82 12.489 -0.498 -4.684 637 HG LEU 82 HG LEU 82 12.348 -2.902 -3.914 638 HD11 LEU 82 HD11 LEU 82 14.377 -3.157 -2.944 639 HD12 LEU 82 HD12 LEU 82 14.259 -1.714 -1.964 640 HD13 LEU 82 HD13 LEU 82 14.526 -1.588 -3.717 641 HD21 LEU 82 HD21 LEU 82 10.767 -1.738 -1.937 642 HD22 LEU 82 HD22 LEU 82 11.973 -2.907 -1.411 643 HD23 LEU 82 HD23 LEU 82 10.877 -3.297 -2.794 644 H LEU 83 HN LEU 83 11.249 1.971 -1.169 645 HA LEU 83 HA LEU 83 10.419 4.033 -2.972 646 HB2 LEU 83 HB2 LEU 83 10.646 3.717 0.012 647 HB3 LEU 83 HB3 LEU 83 10.628 5.369 -0.578 648 HG LEU 83 HG LEU 83 8.459 3.309 -1.084 649 HD11 LEU 83 HD11 LEU 83 8.585 4.223 1.203 650 HD12 LEU 83 HD12 LEU 83 7.136 4.780 0.366 651 HD13 LEU 83 HD13 LEU 83 8.513 5.876 0.555 652 HD21 LEU 83 HD21 LEU 83 8.757 6.186 -2.040 653 HD22 LEU 83 HD22 LEU 83 7.201 5.340 -1.950 654 HD23 LEU 83 HD23 LEU 83 8.446 4.740 -3.027 655 H LYS 84 HN LYS 84 13.613 3.479 -1.644 656 HA LYS 84 HA LYS 84 14.359 6.155 -2.748 657 HB2 LYS 84 HB2 LYS 84 15.132 6.036 -0.555 658 HB3 LYS 84 HB3 LYS 84 15.878 4.436 -0.780 659 HG2 LYS 84 HG2 LYS 84 17.646 5.298 -2.038 660 HG3 LYS 84 HG3 LYS 84 16.689 6.634 -2.653 661 HD2 LYS 84 HD2 LYS 84 18.386 7.532 -1.313 662 HD3 LYS 84 HD3 LYS 84 16.845 7.823 -0.506 663 HE2 LYS 84 HE2 LYS 84 17.329 6.328 1.243 664 HE3 LYS 84 HE3 LYS 84 18.425 5.360 0.248 665 HZ1 LYS 84 HZ1 LYS 84 20.077 6.896 0.407 666 HZ2 LYS 84 HZ2 LYS 84 19.505 6.811 1.955 667 HZ3 LYS 84 HZ3 LYS 84 19.132 8.111 1.000 668 H GLU 85 HN GLU 85 14.885 2.661 -2.909 669 HA GLU 85 HA GLU 85 16.996 2.728 -4.732 670 HB2 GLU 85 HB2 GLU 85 15.006 0.518 -4.607 671 HB3 GLU 85 HB3 GLU 85 16.640 0.457 -5.211 672 HG2 GLU 85 HG2 GLU 85 16.424 1.465 -2.388 673 HG3 GLU 85 HG3 GLU 85 15.948 -0.165 -2.671 674 H GLU 86 HN GLU 86 13.411 2.687 -5.497 675 HA GLU 86 HA GLU 86 13.991 2.678 -8.396 676 HB2 GLU 86 HB2 GLU 86 11.495 2.252 -6.736 677 HB3 GLU 86 HB3 GLU 86 11.600 2.013 -8.479 678 HG2 GLU 86 HG2 GLU 86 13.292 0.424 -6.494 679 HG3 GLU 86 HG3 GLU 86 11.663 -0.041 -6.909 680 H LEU 87 HN LEU 87 12.895 4.663 -5.811 681 HA LEU 87 HA LEU 87 11.716 6.682 -7.668 682 HB2 LEU 87 HB2 LEU 87 10.902 5.935 -4.844 683 HB3 LEU 87 HB3 LEU 87 10.564 7.498 -5.558 684 HG LEU 87 HG LEU 87 9.636 6.016 -7.542 685 HD11 LEU 87 HD11 LEU 87 9.369 4.186 -5.195 686 HD12 LEU 87 HD12 LEU 87 10.161 3.932 -6.791 687 HD13 LEU 87 HD13 LEU 87 8.414 4.104 -6.711 688 HD21 LEU 87 HD21 LEU 87 7.365 6.130 -6.661 689 HD22 LEU 87 HD22 LEU 87 8.157 7.539 -6.040 690 HD23 LEU 87 HD23 LEU 87 7.925 6.131 -4.981 691 H GLY 88 HN GLY 88 13.023 6.728 -4.355 692 HA2 GLY 88 HA2 GLY 88 15.227 7.846 -3.990 693 HA3 GLY 88 HA1 GLY 88 14.751 9.052 -5.172 694 H PHE 89 HN PHE 89 12.321 7.811 -2.864 695 HA PHE 89 HA PHE 89 12.189 10.449 -1.610 696 HB2 PHE 89 HB2 PHE 89 10.176 9.487 -2.174 697 HB3 PHE 89 HB3 PHE 89 10.502 7.981 -1.293 698 HD1 PHE 89 HD1 PHE 89 10.107 11.713 -0.923 699 HD2 PHE 89 HD2 PHE 89 9.638 7.834 0.924 700 HE1 PHE 89 HE1 PHE 89 8.913 12.758 0.976 701 HE2 PHE 89 HE2 PHE 89 8.421 8.893 2.801 702 HZ PHE 89 HZ PHE 89 8.085 11.363 2.843 703 H ALA 90 HN ALA 90 12.033 10.463 0.825 704 HA ALA 90 HA ALA 90 13.932 8.646 2.149 705 HB1 ALA 90 HB1 ALA 90 15.170 10.875 2.841 706 HB2 ALA 90 HB2 ALA 90 15.563 10.077 1.301 707 HB3 ALA 90 HB3 ALA 90 14.485 11.489 1.338 708 H GLY 91 HN GLY 91 11.325 10.978 2.441 709 HA2 GLY 91 HA2 GLY 91 10.171 10.488 4.679 710 HA3 GLY 91 HA1 GLY 91 11.703 11.113 5.349 711 H TYR 92 HN TYR 92 9.132 12.330 5.673 712 HA TYR 92 HA TYR 92 9.133 14.735 3.947 713 HB2 TYR 92 HB2 TYR 92 7.386 14.038 6.348 714 HB3 TYR 92 HB3 TYR 92 7.136 15.319 5.189 715 HD1 TYR 92 HD1 TYR 92 6.384 14.932 2.931 716 HD2 TYR 92 HD2 TYR 92 6.855 11.666 5.715 717 HE1 TYR 92 HE1 TYR 92 4.943 13.483 1.485 718 HE2 TYR 92 HE2 TYR 92 5.445 10.253 4.322 719 HH TYR 92 HH TYR 92 3.681 10.466 2.764 720 H SER 93 HN SER 93 9.674 16.801 4.721 721 HA SER 93 HA SER 93 11.563 16.994 6.821 722 HB2 SER 93 HB2 SER 93 10.190 18.852 5.004 723 HB3 SER 93 HB3 SER 93 10.522 19.579 6.515 724 HG SER 93 HG SER 93 12.439 19.839 5.732 725 H ILE 94 HN ILE 94 11.367 18.711 8.388 726 HA ILE 94 HA ILE 94 9.780 17.514 10.459 727 HB ILE 94 HB ILE 94 11.997 18.341 10.930 728 HG12 ILE 94 HG12 ILE 94 11.496 19.469 13.102 729 HG13 ILE 94 HG13 ILE 94 9.823 19.655 12.633 730 HG21 ILE 94 HG21 ILE 94 11.925 20.409 9.550 731 HG22 ILE 94 HG22 ILE 94 10.880 21.159 10.779 732 HG23 ILE 94 HG23 ILE 94 12.539 20.668 11.181 733 HD11 ILE 94 HD11 ILE 94 11.219 16.942 12.734 734 HD12 ILE 94 HD12 ILE 94 10.307 17.618 14.088 735 HD13 ILE 94 HD13 ILE 94 9.472 17.246 12.574 736 H ASN 95 HN ASN 95 9.440 20.529 8.744 737 HA ASN 95 HA ASN 95 7.439 21.615 10.456 738 HB2 ASN 95 HB2 ASN 95 7.432 22.307 7.510 739 HB3 ASN 95 HB3 ASN 95 7.098 23.319 8.897 740 HD21 ASN 95 HD21 ASN 95 9.405 22.364 6.618 741 HD22 ASN 95 HD22 ASN 95 10.621 23.483 7.215 742 H GLU 96 HN GLU 96 7.329 19.199 7.997 743 HA GLU 96 HA GLU 96 4.475 19.517 7.488 744 HB2 GLU 96 HB2 GLU 96 4.870 18.079 5.473 745 HB3 GLU 96 HB3 GLU 96 5.518 19.747 5.519 746 HG2 GLU 96 HG2 GLU 96 7.606 18.944 6.148 747 HG3 GLU 96 HG3 GLU 96 7.088 17.241 6.024 748 H LEU 97 HN LEU 97 6.499 17.680 9.409 749 HA LEU 97 HA LEU 97 5.782 15.091 8.621 750 HB2 LEU 97 HB2 LEU 97 7.596 16.404 10.506 751 HB3 LEU 97 HB3 LEU 97 6.904 15.041 11.317 752 HG LEU 97 HG LEU 97 8.338 14.944 8.647 753 HD11 LEU 97 HD11 LEU 97 9.187 13.975 11.417 754 HD12 LEU 97 HD12 LEU 97 9.864 15.374 10.548 755 HD13 LEU 97 HD13 LEU 97 10.104 13.752 9.903 756 HD21 LEU 97 HD21 LEU 97 7.261 12.677 10.350 757 HD22 LEU 97 HD22 LEU 97 8.297 12.512 8.906 758 HD23 LEU 97 HD23 LEU 97 6.689 13.184 8.735 759 H VAL 98 HN VAL 98 3.425 15.250 8.570 760 HA VAL 98 HA VAL 98 2.139 15.030 11.223 761 HB VAL 98 HB VAL 98 0.036 15.293 9.991 762 HG11 VAL 98 HG11 VAL 98 0.250 17.545 9.300 763 HG12 VAL 98 HG12 VAL 98 1.394 17.314 10.645 764 HG13 VAL 98 HG13 VAL 98 1.980 17.376 8.962 765 HG21 VAL 98 HG21 VAL 98 0.480 14.243 7.860 766 HG22 VAL 98 HG22 VAL 98 0.098 15.931 7.554 767 HG23 VAL 98 HG23 VAL 98 1.789 15.388 7.526 768 HA PRO 99 HA PRO 99 1.629 10.605 10.881 769 HB2 PRO 99 HB2 PRO 99 -0.941 10.285 11.898 770 HB3 PRO 99 HB3 PRO 99 0.545 10.464 12.875 771 HG2 PRO 99 HG2 PRO 99 -1.446 12.581 12.061 772 HG3 PRO 99 HG3 PRO 99 -0.734 12.319 13.680 773 HD2 PRO 99 HD2 PRO 99 0.208 14.228 12.038 774 HD3 PRO 99 HD3 PRO 99 1.358 13.226 12.969 775 H ARG 100 HN ARG 100 -0.741 12.883 9.395 776 HA ARG 100 HA ARG 100 -2.230 10.891 8.000 777 HB2 ARG 100 HB2 ARG 100 -3.205 12.973 8.578 778 HB3 ARG 100 HB3 ARG 100 -1.846 13.910 7.950 779 HG2 ARG 100 HG2 ARG 100 -2.373 13.392 5.714 780 HG3 ARG 100 HG3 ARG 100 -3.701 12.287 6.191 781 HD2 ARG 100 HD2 ARG 100 -4.842 14.207 7.294 782 HD3 ARG 100 HD3 ARG 100 -3.551 15.284 6.753 783 HE ARG 100 HE ARG 100 -5.380 13.733 4.940 784 HH11 ARG 100 HH11 ARG 100 -3.404 16.640 5.361 785 HH12 ARG 100 HH12 ARG 100 -4.283 17.544 4.176 786 HH21 ARG 100 HH21 ARG 100 -6.254 14.761 3.219 787 HH22 ARG 100 HH22 ARG 100 -5.932 16.422 2.862 788 H LYS 101 HN LYS 101 0.854 12.509 7.376 789 HA LYS 101 HA LYS 101 0.710 11.700 4.528 790 HB2 LYS 101 HB2 LYS 101 1.901 13.500 3.933 791 HB3 LYS 101 HB3 LYS 101 1.082 14.143 5.337 792 HG2 LYS 101 HG2 LYS 101 3.214 13.661 6.632 793 HG3 LYS 101 HG3 LYS 101 3.956 13.195 5.104 794 HD2 LYS 101 HD2 LYS 101 2.833 15.942 5.783 795 HD3 LYS 101 HD3 LYS 101 4.530 15.445 5.734 796 HE2 LYS 101 HE2 LYS 101 4.397 16.627 3.886 797 HE3 LYS 101 HE3 LYS 101 4.080 15.021 3.212 798 HZ1 LYS 101 HZ1 LYS 101 1.776 15.610 2.988 799 HZ2 LYS 101 HZ2 LYS 101 2.669 16.857 2.424 800 HZ3 LYS 101 HZ3 LYS 101 1.956 16.988 3.882 801 H THR 102 HN THR 102 2.619 11.252 7.542 802 HA THR 102 HA THR 102 4.701 9.785 6.297 803 HB THR 102 HB THR 102 5.070 8.860 8.606 804 HG1 THR 102 HG1 THR 102 3.806 9.856 10.251 805 HG21 THR 102 HG21 THR 102 5.608 11.059 9.618 806 HG22 THR 102 HG22 THR 102 4.654 11.878 8.374 807 HG23 THR 102 HG23 THR 102 6.109 10.962 7.924 808 H ARG 103 HN ARG 103 1.695 8.683 7.869 809 HA ARG 103 HA ARG 103 2.127 5.946 7.554 810 HB2 ARG 103 HB2 ARG 103 -0.454 7.571 7.624 811 HB3 ARG 103 HB3 ARG 103 -0.433 5.807 7.672 812 HG2 ARG 103 HG2 ARG 103 1.007 5.831 9.664 813 HG3 ARG 103 HG3 ARG 103 1.069 7.590 9.650 814 HD2 ARG 103 HD2 ARG 103 -1.401 7.647 9.843 815 HD3 ARG 103 HD3 ARG 103 -1.417 5.879 10.051 816 HE ARG 103 HE ARG 103 0.307 6.573 11.970 817 HH11 ARG 103 HH11 ARG 103 -2.903 7.740 11.149 818 HH12 ARG 103 HH12 ARG 103 -3.273 8.487 12.648 819 HH21 ARG 103 HH21 ARG 103 -0.032 7.608 14.029 820 HH22 ARG 103 HH22 ARG 103 -1.489 8.448 14.384 821 H ARG 104 HN ARG 104 0.707 8.148 5.115 822 HA ARG 104 HA ARG 104 0.104 5.983 3.330 823 HB2 ARG 104 HB2 ARG 104 -0.113 7.642 1.560 824 HB3 ARG 104 HB3 ARG 104 -1.046 8.016 3.002 825 HG2 ARG 104 HG2 ARG 104 0.557 9.683 3.708 826 HG3 ARG 104 HG3 ARG 104 1.634 9.287 2.354 827 HD2 ARG 104 HD2 ARG 104 0.636 11.197 1.590 828 HD3 ARG 104 HD3 ARG 104 -0.411 9.961 0.864 829 HE ARG 104 HE ARG 104 -1.643 10.579 3.264 830 HH11 ARG 104 HH11 ARG 104 -0.608 12.459 0.413 831 HH12 ARG 104 HH12 ARG 104 -2.187 13.152 0.199 832 HH21 ARG 104 HH21 ARG 104 -3.593 11.873 3.142 833 HH22 ARG 104 HH22 ARG 104 -3.646 13.147 1.951 834 H ALA 105 HN ALA 105 3.152 7.852 3.828 835 HA ALA 105 HA ALA 105 4.484 6.673 1.587 836 HB1 ALA 105 HB1 ALA 105 6.543 7.418 2.681 837 HB2 ALA 105 HB2 ALA 105 5.325 8.691 2.671 838 HB3 ALA 105 HB3 ALA 105 5.660 7.785 4.168 839 H THR 106 HN THR 106 3.857 5.406 4.903 840 HA THR 106 HA THR 106 5.683 3.225 4.774 841 HB THR 106 HB THR 106 2.884 3.259 5.998 842 HG1 THR 106 HG1 THR 106 5.340 4.085 7.169 843 HG21 THR 106 HG21 THR 106 5.337 1.629 6.742 844 HG22 THR 106 HG22 THR 106 3.811 1.020 6.050 845 HG23 THR 106 HG23 THR 106 3.827 1.704 7.676 846 H MET 107 HN MET 107 2.312 3.572 3.390 847 HA MET 107 HA MET 107 2.296 0.738 2.789 848 HB2 MET 107 HB2 MET 107 0.122 0.991 2.140 849 HB3 MET 107 HB3 MET 107 0.306 2.150 3.438 850 HG2 MET 107 HG2 MET 107 0.820 3.740 1.251 851 HG3 MET 107 HG3 MET 107 -0.270 2.589 0.554 852 HE1 MET 107 HE1 MET 107 -2.261 1.871 2.916 853 HE2 MET 107 HE2 MET 107 -3.510 3.128 2.763 854 HE3 MET 107 HE3 MET 107 -2.866 2.340 1.314 855 H THR 108 HN THR 108 3.047 3.749 0.947 856 HA THR 108 HA THR 108 3.159 2.709 -1.603 857 HB THR 108 HB THR 108 5.235 4.594 -0.467 858 HG1 THR 108 HG1 THR 108 2.556 5.217 -1.089 859 HG21 THR 108 HG21 THR 108 5.350 4.103 -2.909 860 HG22 THR 108 HG22 THR 108 4.969 5.802 -2.565 861 HG23 THR 108 HG23 THR 108 3.682 4.698 -3.084 862 H ASN 109 HN ASN 109 5.753 2.413 0.948 863 HA ASN 109 HA ASN 109 7.628 1.197 -0.822 864 HB2 ASN 109 HB2 ASN 109 8.151 2.083 1.497 865 HB3 ASN 109 HB3 ASN 109 7.454 0.609 2.158 866 HD21 ASN 109 HD21 ASN 109 8.842 -1.304 2.151 867 HD22 ASN 109 HD22 ASN 109 10.358 -1.322 1.308 868 H TRP 110 HN TRP 110 4.858 -0.218 0.866 869 HA TRP 110 HA TRP 110 5.659 -2.985 0.458 870 HB2 TRP 110 HB2 TRP 110 4.137 -2.555 2.229 871 HB3 TRP 110 HB3 TRP 110 3.067 -1.608 1.215 872 HD1 TRP 110 HD1 TRP 110 3.570 -5.077 2.388 873 HE1 TRP 110 HE1 TRP 110 1.939 -6.713 1.191 874 HE3 TRP 110 HE3 TRP 110 1.315 -1.787 -0.700 875 HZ2 TRP 110 HZ2 TRP 110 0.029 -6.580 -0.951 876 HZ3 TRP 110 HZ3 TRP 110 -0.561 -2.507 -2.189 877 HH2 TRP 110 HH2 TRP 110 -1.140 -4.919 -2.364 878 H LEU 111 HN LEU 111 3.951 -0.500 -1.503 879 HA LEU 111 HA LEU 111 2.809 -2.405 -3.352 880 HB2 LEU 111 HB2 LEU 111 3.382 0.575 -3.507 881 HB3 LEU 111 HB3 LEU 111 2.878 -0.328 -4.905 882 HG LEU 111 HG LEU 111 1.095 -1.017 -2.748 883 HD11 LEU 111 HD11 LEU 111 1.397 1.955 -3.216 884 HD12 LEU 111 HD12 LEU 111 1.575 1.072 -1.687 885 HD13 LEU 111 HD13 LEU 111 -0.010 1.197 -2.457 886 HD21 LEU 111 HD21 LEU 111 0.554 -1.256 -5.106 887 HD22 LEU 111 HD22 LEU 111 0.638 0.501 -5.316 888 HD23 LEU 111 HD23 LEU 111 -0.626 -0.217 -4.296 889 H LEU 112 HN LEU 112 5.894 -0.647 -3.197 890 HA LEU 112 HA LEU 112 6.952 -1.736 -5.642 891 HB2 LEU 112 HB2 LEU 112 8.422 -0.880 -3.114 892 HB3 LEU 112 HB3 LEU 112 9.184 -1.410 -4.610 893 HG LEU 112 HG LEU 112 7.258 0.542 -5.371 894 HD11 LEU 112 HD11 LEU 112 7.252 1.329 -3.058 895 HD12 LEU 112 HD12 LEU 112 7.971 2.531 -4.135 896 HD13 LEU 112 HD13 LEU 112 9.018 1.533 -3.094 897 HD21 LEU 112 HD21 LEU 112 9.420 0.016 -6.484 898 HD22 LEU 112 HD22 LEU 112 10.250 0.957 -5.217 899 HD23 LEU 112 HD23 LEU 112 9.076 1.720 -6.303 900 H ALA 113 HN ALA 113 7.250 -2.884 -2.222 901 HA ALA 113 HA ALA 113 8.814 -5.156 -2.858 902 HB1 ALA 113 HB1 ALA 113 8.549 -4.197 -0.580 903 HB2 ALA 113 HB2 ALA 113 6.880 -4.826 -0.531 904 HB3 ALA 113 HB3 ALA 113 8.252 -5.946 -0.633 905 H TYR 114 HN TYR 114 5.394 -4.718 -3.349 906 HA TYR 114 HA TYR 114 4.830 -7.531 -3.884 907 HB2 TYR 114 HB2 TYR 114 3.102 -5.937 -3.148 908 HB3 TYR 114 HB3 TYR 114 3.379 -4.955 -4.571 909 HD1 TYR 114 HD2 TYR 114 2.714 -8.589 -3.779 910 HD2 TYR 114 HD1 TYR 114 1.735 -5.216 -6.297 911 HE1 TYR 114 HE2 TYR 114 0.928 -9.910 -4.861 912 HE2 TYR 114 HE1 TYR 114 -0.150 -6.475 -7.258 913 HH TYR 114 HH TYR 114 -1.337 -8.452 -7.216 914 H ARG 115 HN ARG 115 4.978 -4.615 -6.114 915 HA ARG 115 HA ARG 115 4.922 -6.356 -8.376 916 HB2 ARG 115 HB2 ARG 115 5.342 -4.433 -9.741 917 HB3 ARG 115 HB3 ARG 115 4.139 -4.065 -8.519 918 HG2 ARG 115 HG2 ARG 115 5.400 -2.426 -7.562 919 HG3 ARG 115 HG3 ARG 115 6.877 -3.344 -7.617 920 HD2 ARG 115 HD2 ARG 115 6.122 -2.566 -10.332 921 HD3 ARG 115 HD3 ARG 115 6.089 -1.182 -9.284 922 HE ARG 115 HE ARG 115 8.314 -1.367 -8.761 923 HH11 ARG 115 HH11 ARG 115 7.448 -3.337 -11.583 924 HH12 ARG 115 HH12 ARG 115 9.087 -3.732 -11.961 925 HH21 ARG 115 HH21 ARG 115 10.614 -1.724 -9.565 926 HH22 ARG 115 HH22 ARG 115 10.768 -2.813 -10.863 927 H ARG 116 HN ARG 116 7.587 -5.268 -6.484 928 HA ARG 116 HA ARG 116 9.818 -5.632 -8.191 929 HB2 ARG 116 HB2 ARG 116 9.404 -5.829 -5.197 930 HB3 ARG 116 HB3 ARG 116 10.943 -6.054 -5.989 931 HG2 ARG 116 HG2 ARG 116 9.380 -3.525 -6.485 932 HG3 ARG 116 HG3 ARG 116 10.431 -3.681 -5.075 933 HD2 ARG 116 HD2 ARG 116 11.426 -4.319 -7.830 934 HD3 ARG 116 HD3 ARG 116 11.255 -2.648 -7.355 935 HE ARG 116 HE ARG 116 12.769 -4.157 -5.420 936 HH11 ARG 116 HH11 ARG 116 13.052 -2.606 -8.661 937 HH12 ARG 116 HH12 ARG 116 14.743 -2.862 -8.731 938 HH21 ARG 116 HH21 ARG 116 15.223 -3.884 -5.435 939 HH22 ARG 116 HH22 ARG 116 15.806 -2.923 -6.766 940 H SER 117 HN SER 117 7.606 -7.926 -6.789 941 HA SER 117 HA SER 117 9.362 -10.223 -7.368 942 HB2 SER 117 HB2 SER 117 6.723 -10.048 -5.901 943 HB3 SER 117 HB3 SER 117 7.947 -11.348 -5.826 944 HG SER 117 HG SER 117 7.637 -9.499 -4.180 945 H GLN 118 HN GLN 118 6.705 -8.519 -8.805 946 HA GLN 118 HA GLN 118 5.608 -10.898 -10.231 947 HB2 GLN 118 HB2 GLN 118 4.910 -7.935 -10.420 948 HB3 GLN 118 HB3 GLN 118 4.062 -9.260 -11.224 949 HG2 GLN 118 HG2 GLN 118 3.481 -10.202 -8.987 950 HG3 GLN 118 HG3 GLN 118 4.191 -8.776 -8.219 951 HE21 GLN 118 HE21 GLN 118 3.091 -7.062 -10.614 952 HE22 GLN 118 HE22 GLN 118 1.441 -6.798 -10.143 953 H GLN 119 HN GLN 119 7.705 -8.197 -10.668 954 HA GLN 119 HA GLN 119 8.690 -7.065 -12.358 955 HB2 GLN 119 HB2 GLN 119 9.226 -9.986 -12.624 956 HB3 GLN 119 HB3 GLN 119 10.301 -8.747 -13.262 957 HG2 GLN 119 HG2 GLN 119 9.639 -9.291 -10.314 958 HG3 GLN 119 HG3 GLN 119 11.095 -9.760 -11.141 959 HE21 GLN 119 HE21 GLN 119 9.247 -6.642 -10.550 960 HE22 GLN 119 HE22 GLN 119 10.711 -5.753 -10.200 961 H ASP 120 HN ASP 120 6.324 -6.893 -12.953 962 HA ASP 120 HA ASP 120 5.159 -8.607 -14.634 963 HB2 ASP 120 HB2 ASP 120 3.878 -7.118 -13.225 964 HB3 ASP 120 HB3 ASP 120 4.452 -5.696 -14.103 Start of MODEL 19 1 H1 MET 1 HN MET 1 -4.885 -10.049 -7.436 2 HA MET 1 HA MET 1 -5.744 -10.672 -9.554 3 HB2 MET 1 HB2 MET 1 -6.750 -9.126 -11.103 4 HB3 MET 1 HB3 MET 1 -7.660 -9.341 -9.623 5 HG2 MET 1 HG2 MET 1 -6.521 -7.253 -8.739 6 HG3 MET 1 HG3 MET 1 -5.953 -6.949 -10.372 7 HE1 MET 1 HE1 MET 1 -9.172 -4.889 -8.865 8 HE2 MET 1 HE2 MET 1 -8.024 -5.945 -7.964 9 HE3 MET 1 HE3 MET 1 -7.414 -4.785 -9.171 10 H GLY 2 HN GLY 2 -3.153 -9.395 -8.309 11 HA2 GLY 2 HA2 GLY 2 -1.064 -8.807 -9.076 12 HA3 GLY 2 HA1 GLY 2 -1.558 -9.737 -10.492 13 H ILE 3 HN ILE 3 -2.357 -6.497 -9.168 14 HA ILE 3 HA ILE 3 -2.666 -5.363 -11.788 15 HB ILE 3 HB ILE 3 -2.198 -3.860 -9.191 16 HG12 ILE 3 HG12 ILE 3 -4.815 -5.048 -10.177 17 HG13 ILE 3 HG13 ILE 3 -3.938 -5.555 -8.738 18 HG21 ILE 3 HG21 ILE 3 -3.879 -3.147 -11.650 19 HG22 ILE 3 HG22 ILE 3 -3.617 -2.109 -10.231 20 HG23 ILE 3 HG23 ILE 3 -2.287 -2.474 -11.273 21 HD11 ILE 3 HD11 ILE 3 -4.259 -3.130 -7.888 22 HD12 ILE 3 HD12 ILE 3 -5.427 -2.946 -9.214 23 HD13 ILE 3 HD13 ILE 3 -5.703 -4.165 -7.987 24 H THR 4 HN THR 4 -1.352 -3.805 -12.750 25 HA THR 4 HA THR 4 1.530 -4.052 -12.534 26 HB THR 4 HB THR 4 -0.125 -1.967 -14.009 27 HG1 THR 4 HG1 THR 4 0.307 -3.508 -15.825 28 HG21 THR 4 HG21 THR 4 2.278 -1.420 -13.820 29 HG22 THR 4 HG22 THR 4 1.831 -1.797 -15.489 30 HG23 THR 4 HG23 THR 4 2.701 -3.005 -14.503 31 H ILE 5 HN ILE 5 2.861 -2.694 -11.198 32 HA ILE 5 HA ILE 5 1.592 -0.190 -10.184 33 HB ILE 5 HB ILE 5 3.870 -1.828 -9.110 34 HG12 ILE 5 HG12 ILE 5 1.631 -2.813 -8.673 35 HG13 ILE 5 HG13 ILE 5 2.521 -2.394 -7.239 36 HG21 ILE 5 HG21 ILE 5 3.936 -0.323 -7.180 37 HG22 ILE 5 HG22 ILE 5 4.385 0.476 -8.700 38 HG23 ILE 5 HG23 ILE 5 2.798 0.770 -8.001 39 HD11 ILE 5 HD11 ILE 5 0.144 -1.858 -7.021 40 HD12 ILE 5 HD12 ILE 5 1.070 -0.343 -7.033 41 HD13 ILE 5 HD13 ILE 5 0.191 -0.862 -8.491 42 H THR 6 HN THR 6 2.612 1.692 -10.562 43 HA THR 6 HA THR 6 5.129 1.756 -12.123 44 HB THR 6 HB THR 6 3.996 3.905 -13.097 45 HG1 THR 6 HG1 THR 6 1.677 2.362 -12.472 46 HG21 THR 6 HG21 THR 6 3.088 1.117 -13.875 47 HG22 THR 6 HG22 THR 6 4.581 1.940 -14.401 48 HG23 THR 6 HG23 THR 6 3.009 2.558 -14.928 49 H ASP 7 HN ASP 7 6.663 3.008 -11.241 50 HA ASP 7 HA ASP 7 6.608 4.238 -8.787 51 HB2 ASP 7 HB2 ASP 7 8.354 4.788 -11.183 52 HB3 ASP 7 HB3 ASP 7 8.692 5.313 -9.533 53 H GLU 8 HN GLU 8 5.684 5.551 -11.945 54 HA GLU 8 HA GLU 8 5.498 8.290 -11.303 55 HB2 GLU 8 HB2 GLU 8 4.168 6.374 -13.212 56 HB3 GLU 8 HB3 GLU 8 3.423 7.955 -13.027 57 HG2 GLU 8 HG2 GLU 8 6.389 7.886 -13.498 58 HG3 GLU 8 HG3 GLU 8 5.317 7.491 -14.850 59 H LEU 9 HN LEU 9 3.014 5.691 -11.031 60 HA LEU 9 HA LEU 9 1.008 7.340 -9.836 61 HB2 LEU 9 HB2 LEU 9 1.471 4.467 -10.339 62 HB3 LEU 9 HB3 LEU 9 0.702 4.720 -8.783 63 HG LEU 9 HG LEU 9 -0.350 5.986 -11.320 64 HD11 LEU 9 HD11 LEU 9 -0.310 3.489 -11.487 65 HD12 LEU 9 HD12 LEU 9 -1.939 4.144 -11.467 66 HD13 LEU 9 HD13 LEU 9 -1.279 3.394 -10.003 67 HD21 LEU 9 HD21 LEU 9 -1.099 7.051 -9.202 68 HD22 LEU 9 HD22 LEU 9 -1.607 5.479 -8.575 69 HD23 LEU 9 HD23 LEU 9 -2.437 6.197 -9.976 70 H LEU 10 HN LEU 10 3.740 5.506 -8.537 71 HA LEU 10 HA LEU 10 2.932 5.704 -5.811 72 HB2 LEU 10 HB2 LEU 10 5.638 5.243 -7.082 73 HB3 LEU 10 HB3 LEU 10 5.405 5.227 -5.340 74 HG LEU 10 HG LEU 10 3.550 3.547 -7.072 75 HD11 LEU 10 HD11 LEU 10 5.515 2.679 -7.937 76 HD12 LEU 10 HD12 LEU 10 5.196 1.638 -6.576 77 HD13 LEU 10 HD13 LEU 10 6.427 2.935 -6.438 78 HD21 LEU 10 HD21 LEU 10 3.330 2.235 -5.157 79 HD22 LEU 10 HD22 LEU 10 3.187 3.892 -4.584 80 HD23 LEU 10 HD23 LEU 10 4.708 2.989 -4.325 81 H TRP 11 HN TRP 11 4.921 7.885 -7.839 82 HA TRP 11 HA TRP 11 5.689 9.653 -5.797 83 HB2 TRP 11 HB2 TRP 11 5.493 9.817 -8.760 84 HB3 TRP 11 HB3 TRP 11 5.539 11.338 -7.888 85 HD1 TRP 11 HD1 TRP 11 7.786 8.557 -8.983 86 HE1 TRP 11 HE1 TRP 11 10.127 8.810 -8.035 87 HE3 TRP 11 HE3 TRP 11 6.788 12.112 -5.496 88 HZ2 TRP 11 HZ2 TRP 11 11.400 10.299 -5.876 89 HZ3 TRP 11 HZ3 TRP 11 8.540 12.797 -3.851 90 HH2 TRP 11 HH2 TRP 11 10.827 11.854 -4.021 91 H ALA 12 HN ALA 12 2.511 9.375 -7.306 92 HA ALA 12 HA ALA 12 1.454 11.886 -6.599 93 HB1 ALA 12 HB1 ALA 12 0.123 9.146 -6.764 94 HB2 ALA 12 HB2 ALA 12 -0.756 10.639 -6.586 95 HB3 ALA 12 HB3 ALA 12 0.215 10.373 -8.046 96 H ILE 13 HN ILE 13 1.914 8.957 -4.650 97 HA ILE 13 HA ILE 13 0.231 9.762 -2.469 98 HB ILE 13 HB ILE 13 2.522 7.739 -2.665 99 HG12 ILE 13 HG12 ILE 13 0.401 6.224 -2.109 100 HG13 ILE 13 HG13 ILE 13 -0.517 7.578 -2.740 101 HG21 ILE 13 HG21 ILE 13 0.638 8.285 -0.365 102 HG22 ILE 13 HG22 ILE 13 1.761 6.907 -0.485 103 HG23 ILE 13 HG23 ILE 13 2.402 8.527 -0.341 104 HD11 ILE 13 HD11 ILE 13 0.720 7.310 -4.914 105 HD12 ILE 13 HD12 ILE 13 1.642 5.976 -4.171 106 HD13 ILE 13 HD13 ILE 13 -0.098 5.817 -4.436 107 H LEU 14 HN LEU 14 3.851 10.071 -3.082 108 HA LEU 14 HA LEU 14 4.316 11.171 -0.515 109 HB2 LEU 14 HB2 LEU 14 6.002 11.308 -3.054 110 HB3 LEU 14 HB3 LEU 14 6.542 11.704 -1.445 111 HG LEU 14 HG LEU 14 7.376 9.647 -1.735 112 HD11 LEU 14 HD11 LEU 14 6.295 8.085 -0.203 113 HD12 LEU 14 HD12 LEU 14 4.744 8.896 -0.392 114 HD13 LEU 14 HD13 LEU 14 6.090 9.731 0.416 115 HD21 LEU 14 HD21 LEU 14 6.034 9.187 -3.806 116 HD22 LEU 14 HD22 LEU 14 4.902 8.323 -2.743 117 HD23 LEU 14 HD23 LEU 14 6.623 7.855 -2.882 118 H LYS 15 HN LYS 15 3.706 12.729 -3.685 119 HA LYS 15 HA LYS 15 4.491 15.344 -2.669 120 HB2 LYS 15 HB2 LYS 15 2.822 14.616 -5.122 121 HB3 LYS 15 HB3 LYS 15 3.463 16.215 -4.752 122 HG2 LYS 15 HG2 LYS 15 5.073 13.708 -5.411 123 HG3 LYS 15 HG3 LYS 15 4.810 15.111 -6.435 124 HD2 LYS 15 HD2 LYS 15 6.019 16.500 -4.697 125 HD3 LYS 15 HD3 LYS 15 6.476 14.983 -3.891 126 HE2 LYS 15 HE2 LYS 15 7.588 14.223 -6.018 127 HE3 LYS 15 HE3 LYS 15 7.086 15.728 -6.787 128 HZ1 LYS 15 HZ1 LYS 15 9.280 16.074 -6.138 129 HZ2 LYS 15 HZ2 LYS 15 9.111 15.469 -4.630 130 HZ3 LYS 15 HZ3 LYS 15 8.406 16.891 -5.042 131 H ASP 16 HN ASP 16 1.178 14.744 -3.923 132 HA ASP 16 HA ASP 16 -0.120 14.707 -1.432 133 HB2 ASP 16 HB2 ASP 16 0.806 17.308 -1.964 134 HB3 ASP 16 HB3 ASP 16 -0.814 17.385 -2.550 135 H GLU 17 HN GLU 17 -0.239 13.687 -4.445 136 HA GLU 17 HA GLU 17 -2.575 14.958 -5.547 137 HB2 GLU 17 HB2 GLU 17 -0.798 14.395 -7.024 138 HB3 GLU 17 HB3 GLU 17 -0.495 12.877 -6.223 139 HG2 GLU 17 HG2 GLU 17 -1.446 12.436 -8.336 140 HG3 GLU 17 HG3 GLU 17 -2.541 11.907 -7.061 141 H LEU 18 HN LEU 18 -1.607 11.828 -4.065 142 HA LEU 18 HA LEU 18 -4.466 10.993 -4.014 143 HB2 LEU 18 HB2 LEU 18 -1.880 9.658 -3.328 144 HB3 LEU 18 HB3 LEU 18 -3.289 9.085 -2.493 145 HG LEU 18 HG LEU 18 -3.671 9.415 -5.396 146 HD11 LEU 18 HD11 LEU 18 -2.636 7.387 -6.009 147 HD12 LEU 18 HD12 LEU 18 -2.127 7.130 -4.307 148 HD13 LEU 18 HD13 LEU 18 -1.464 8.490 -5.275 149 HD21 LEU 18 HD21 LEU 18 -5.317 7.977 -5.294 150 HD22 LEU 18 HD22 LEU 18 -5.292 8.417 -3.582 151 HD23 LEU 18 HD23 LEU 18 -4.524 6.906 -4.162 152 H SER 19 HN SER 19 -5.310 10.303 -2.154 153 HA SER 19 HA SER 19 -4.841 12.295 0.014 154 HB2 SER 19 HB2 SER 19 -7.570 11.303 -0.856 155 HB3 SER 19 HB3 SER 19 -7.196 12.683 0.196 156 HG SER 19 HG SER 19 -7.381 12.579 -2.480 157 H ASP 20 HN ASP 20 -6.589 11.507 2.023 158 HA ASP 20 HA ASP 20 -5.180 9.266 3.212 159 HB2 ASP 20 HB2 ASP 20 -7.696 10.820 4.012 160 HB3 ASP 20 HB3 ASP 20 -7.181 9.402 4.854 161 H ALA 21 HN ALA 21 -8.525 9.754 2.240 162 HA ALA 21 HA ALA 21 -9.234 6.924 2.300 163 HB1 ALA 21 HB1 ALA 21 -10.699 9.461 1.557 164 HB2 ALA 21 HB2 ALA 21 -11.485 7.914 1.937 165 HB3 ALA 21 HB3 ALA 21 -10.619 8.806 3.212 166 H GLU 22 HN GLU 22 -7.497 8.150 0.268 167 HA GLU 22 HA GLU 22 -8.711 6.856 -2.174 168 HB2 GLU 22 HB2 GLU 22 -6.987 9.374 -2.251 169 HB3 GLU 22 HB3 GLU 22 -7.599 8.465 -3.653 170 HG2 GLU 22 HG2 GLU 22 -9.910 8.843 -2.766 171 HG3 GLU 22 HG3 GLU 22 -9.234 9.936 -1.574 172 H ALA 23 HN ALA 23 -5.632 7.933 -0.665 173 HA ALA 23 HA ALA 23 -3.900 6.453 -2.297 174 HB1 ALA 23 HB1 ALA 23 -3.068 8.062 -0.625 175 HB2 ALA 23 HB2 ALA 23 -3.569 6.984 0.690 176 HB3 ALA 23 HB3 ALA 23 -2.287 6.487 -0.434 177 H ASN 24 HN ASN 24 -5.843 5.540 0.535 178 HA ASN 24 HA ASN 24 -4.839 2.939 1.225 179 HB2 ASN 24 HB2 ASN 24 -7.184 4.657 1.852 180 HB3 ASN 24 HB3 ASN 24 -7.609 2.968 1.730 181 HD21 ASN 24 HD21 ASN 24 -7.888 4.463 4.053 182 HD22 ASN 24 HD22 ASN 24 -6.927 3.771 5.319 183 H ALA 25 HN ALA 25 -7.366 4.065 -1.049 184 HA ALA 25 HA ALA 25 -8.545 1.571 -1.541 185 HB1 ALA 25 HB1 ALA 25 -8.317 3.981 -3.384 186 HB2 ALA 25 HB2 ALA 25 -9.460 2.643 -3.552 187 HB3 ALA 25 HB3 ALA 25 -9.563 3.735 -2.140 188 H LEU 26 HN LEU 26 -5.865 3.212 -3.413 189 HA LEU 26 HA LEU 26 -5.604 1.174 -5.350 190 HB2 LEU 26 HB2 LEU 26 -3.518 3.089 -4.249 191 HB3 LEU 26 HB3 LEU 26 -3.376 2.106 -5.703 192 HG LEU 26 HG LEU 26 -5.335 4.380 -5.264 193 HD11 LEU 26 HD11 LEU 26 -4.067 5.510 -6.991 194 HD12 LEU 26 HD12 LEU 26 -3.068 4.074 -7.272 195 HD13 LEU 26 HD13 LEU 26 -2.941 4.972 -5.737 196 HD21 LEU 26 HD21 LEU 26 -5.921 4.040 -7.695 197 HD22 LEU 26 HD22 LEU 26 -6.487 2.739 -6.662 198 HD23 LEU 26 HD23 LEU 26 -5.031 2.508 -7.669 199 H VAL 27 HN VAL 27 -4.332 1.305 -1.994 200 HA VAL 27 HA VAL 27 -2.588 -0.986 -2.377 201 HB VAL 27 HB VAL 27 -3.749 0.488 0.008 202 HG11 VAL 27 HG11 VAL 27 -3.598 -1.748 0.855 203 HG12 VAL 27 HG12 VAL 27 -1.988 -1.969 0.150 204 HG13 VAL 27 HG13 VAL 27 -2.232 -0.815 1.474 205 HG21 VAL 27 HG21 VAL 27 -1.655 1.435 0.188 206 HG22 VAL 27 HG22 VAL 27 -0.854 0.161 -0.777 207 HG23 VAL 27 HG23 VAL 27 -1.879 1.401 -1.530 208 H TRP 28 HN TRP 28 -5.945 -0.525 -1.134 209 HA TRP 28 HA TRP 28 -6.437 -3.206 -0.515 210 HB2 TRP 28 HB2 TRP 28 -8.373 -1.076 -1.481 211 HB3 TRP 28 HB3 TRP 28 -8.787 -2.529 -0.614 212 HD1 TRP 28 HD1 TRP 28 -6.101 -1.858 1.472 213 HE1 TRP 28 HE1 TRP 28 -6.649 -0.303 3.454 214 HE3 TRP 28 HE3 TRP 28 -10.425 0.251 -0.304 215 HZ2 TRP 28 HZ2 TRP 28 -8.740 1.451 4.218 216 HZ3 TRP 28 HZ3 TRP 28 -11.728 1.793 1.124 217 HH2 TRP 28 HH2 TRP 28 -10.924 2.370 3.397 218 H GLN 29 HN GLN 29 -7.027 -1.535 -3.665 219 HA GLN 29 HA GLN 29 -8.168 -3.842 -4.930 220 HB2 GLN 29 HB2 GLN 29 -7.529 -2.734 -7.106 221 HB3 GLN 29 HB3 GLN 29 -8.542 -1.775 -6.026 222 HG2 GLN 29 HG2 GLN 29 -6.787 -0.391 -5.479 223 HG3 GLN 29 HG3 GLN 29 -5.540 -1.469 -6.118 224 HE21 GLN 29 HE21 GLN 29 -8.516 0.042 -7.452 225 HE22 GLN 29 HE22 GLN 29 -7.724 0.701 -8.868 226 H ALA 30 HN ALA 30 -4.766 -2.782 -4.708 227 HA ALA 30 HA ALA 30 -3.573 -4.715 -6.428 228 HB1 ALA 30 HB1 ALA 30 -2.399 -3.572 -3.871 229 HB2 ALA 30 HB2 ALA 30 -1.517 -4.289 -5.227 230 HB3 ALA 30 HB3 ALA 30 -2.384 -2.756 -5.450 231 H LEU 31 HN LEU 31 -4.602 -5.106 -2.999 232 HA LEU 31 HA LEU 31 -3.553 -7.821 -2.860 233 HB2 LEU 31 HB2 LEU 31 -5.691 -6.388 -1.223 234 HB3 LEU 31 HB3 LEU 31 -5.328 -8.086 -1.054 235 HG LEU 31 HG LEU 31 -4.140 -7.141 0.698 236 HD11 LEU 31 HD11 LEU 31 -2.773 -8.728 -0.593 237 HD12 LEU 31 HD12 LEU 31 -1.831 -7.512 0.278 238 HD13 LEU 31 HD13 LEU 31 -2.054 -7.346 -1.454 239 HD21 LEU 31 HD21 LEU 31 -2.577 -5.211 0.380 240 HD22 LEU 31 HD22 LEU 31 -4.312 -4.831 0.238 241 HD23 LEU 31 HD23 LEU 31 -3.311 -4.978 -1.208 242 H GLY 32 HN GLY 32 -6.766 -6.439 -3.583 243 HA2 GLY 32 HA2 GLY 32 -7.820 -7.371 -5.610 244 HA3 GLY 32 HA1 GLY 32 -7.364 -8.969 -5.073 245 H TYR 33 HN TYR 33 -8.599 -6.863 -2.542 246 HA TYR 33 HA TYR 33 -10.835 -8.578 -2.058 247 HB2 TYR 33 HB2 TYR 33 -10.203 -5.758 -1.186 248 HB3 TYR 33 HB3 TYR 33 -11.566 -6.687 -0.580 249 HD1 TYR 33 HD1 TYR 33 -7.910 -6.264 -0.483 250 HD2 TYR 33 HD2 TYR 33 -11.263 -8.558 0.965 251 HE1 TYR 33 HE1 TYR 33 -6.481 -7.244 1.303 252 HE2 TYR 33 HE2 TYR 33 -9.883 -9.442 2.804 253 HH TYR 33 HH TYR 33 -7.714 -9.428 3.810 254 H VAL 34 HN VAL 34 -10.530 -5.475 -3.763 255 HA VAL 34 HA VAL 34 -11.885 -4.181 -4.960 256 HB VAL 34 HB VAL 34 -12.687 -6.911 -5.953 257 HG11 VAL 34 HG11 VAL 34 -14.222 -5.189 -6.831 258 HG12 VAL 34 HG12 VAL 34 -12.848 -4.155 -7.262 259 HG13 VAL 34 HG13 VAL 34 -13.127 -5.688 -8.117 260 HG21 VAL 34 HG21 VAL 34 -10.419 -5.046 -6.729 261 HG22 VAL 34 HG22 VAL 34 -10.305 -6.698 -6.053 262 HG23 VAL 34 HG23 VAL 34 -10.931 -6.463 -7.686 263 H TRP 35 HN TRP 35 -13.367 -2.934 -4.117 264 HA TRP 35 HA TRP 35 -15.860 -3.762 -2.915 265 HB2 TRP 35 HB2 TRP 35 -14.855 -1.642 -2.469 266 HB3 TRP 35 HB3 TRP 35 -14.908 -1.150 -4.166 267 HD1 TRP 35 HD1 TRP 35 -17.321 -0.496 -5.151 268 HE1 TRP 35 HE1 TRP 35 -19.566 0.100 -4.100 269 HE3 TRP 35 HE3 TRP 35 -16.412 -2.210 -0.430 270 HZ2 TRP 35 HZ2 TRP 35 -20.949 -0.585 -1.638 271 HZ3 TRP 35 HZ3 TRP 35 -18.253 -2.304 1.230 272 HH2 TRP 35 HH2 TRP 35 -20.522 -1.527 0.623 273 H ASP 36 HN ASP 36 -17.124 -5.057 -4.118 274 HA ASP 36 HA ASP 36 -17.789 -4.270 -6.925 275 HB2 ASP 36 HB2 ASP 36 -17.743 -6.839 -5.589 276 HB3 ASP 36 HB3 ASP 36 -19.349 -6.537 -6.142 277 H GLU 37 HN GLU 37 -18.887 -2.493 -6.703 278 HA GLU 37 HA GLU 37 -20.797 -1.748 -4.836 279 HB2 GLU 37 HB2 GLU 37 -19.728 -0.340 -6.491 280 HB3 GLU 37 HB3 GLU 37 -20.554 -1.171 -7.811 281 HG2 GLU 37 HG2 GLU 37 -22.734 -0.294 -6.951 282 HG3 GLU 37 HG3 GLU 37 -21.854 0.580 -5.679 283 H ALA 38 HN ALA 38 -21.149 -3.892 -7.598 284 HA ALA 38 HA ALA 38 -24.014 -3.909 -7.816 285 HB1 ALA 38 HB1 ALA 38 -21.958 -6.012 -8.663 286 HB2 ALA 38 HB2 ALA 38 -23.650 -5.918 -9.200 287 HB3 ALA 38 HB3 ALA 38 -22.509 -4.636 -9.655 288 H GLN 39 HN GLN 39 -21.797 -5.398 -5.615 289 HA GLN 39 HA GLN 39 -23.897 -7.199 -4.550 290 HB2 GLN 39 HB2 GLN 39 -20.874 -7.367 -4.411 291 HB3 GLN 39 HB3 GLN 39 -21.974 -8.438 -3.545 292 HG2 GLN 39 HG2 GLN 39 -22.928 -9.271 -5.619 293 HG3 GLN 39 HG3 GLN 39 -21.891 -8.180 -6.534 294 HE21 GLN 39 HE21 GLN 39 -19.733 -8.869 -7.075 295 HE22 GLN 39 HE22 GLN 39 -19.161 -10.411 -6.505 296 H SER 40 HN SER 40 -22.291 -4.237 -4.090 297 HA SER 40 HA SER 40 -21.574 -2.962 -2.508 298 HB2 SER 40 HB2 SER 40 -23.066 -2.397 -0.686 299 HB3 SER 40 HB3 SER 40 -23.859 -2.424 -2.257 300 HG SER 40 HG SER 40 -24.852 -4.320 -1.762 301 H CYS 41 HN CYS 41 -20.312 -5.537 -2.520 302 HA CYS 41 HA CYS 41 -19.421 -5.575 0.295 303 HB2 CYS 41 HB2 CYS 41 -20.199 -8.116 -1.182 304 HB3 CYS 41 HB3 CYS 41 -19.396 -8.042 0.380 305 HG CYS 41 HG CYS 41 -22.387 -6.870 -0.447 306 H TRP 42 HN TRP 42 -17.381 -6.419 0.558 307 HA TRP 42 HA TRP 42 -15.484 -5.941 -1.563 308 HB2 TRP 42 HB2 TRP 42 -15.278 -7.273 1.184 309 HB3 TRP 42 HB3 TRP 42 -13.913 -6.796 0.177 310 HD1 TRP 42 HD1 TRP 42 -16.127 -5.469 2.920 311 HE1 TRP 42 HE1 TRP 42 -15.807 -2.981 3.262 312 HE3 TRP 42 HE3 TRP 42 -13.349 -4.401 -1.269 313 HZ2 TRP 42 HZ2 TRP 42 -14.464 -0.793 1.962 314 HZ3 TRP 42 HZ3 TRP 42 -12.479 -2.104 -1.621 315 HH2 TRP 42 HH2 TRP 42 -13.052 -0.285 -0.017 316 H LYS 43 HN LYS 43 -14.756 -7.587 -3.037 317 HA LYS 43 HA LYS 43 -15.854 -10.332 -2.762 318 HB2 LYS 43 HB2 LYS 43 -14.026 -9.028 -4.818 319 HB3 LYS 43 HB3 LYS 43 -14.455 -10.750 -4.792 320 HG2 LYS 43 HG2 LYS 43 -16.861 -10.124 -4.848 321 HG3 LYS 43 HG3 LYS 43 -16.403 -8.424 -4.960 322 HD2 LYS 43 HD2 LYS 43 -15.503 -10.526 -6.977 323 HD3 LYS 43 HD3 LYS 43 -16.992 -9.579 -7.117 324 HE2 LYS 43 HE2 LYS 43 -15.550 -7.480 -6.788 325 HE3 LYS 43 HE3 LYS 43 -14.136 -8.519 -7.031 326 HZ1 LYS 43 HZ1 LYS 43 -15.025 -7.431 -9.107 327 HZ2 LYS 43 HZ2 LYS 43 -16.433 -8.176 -8.857 328 HZ3 LYS 43 HZ3 LYS 43 -15.117 -9.086 -9.235 329 H THR 44 HN THR 44 -14.167 -12.130 -2.816 330 HA THR 44 HA THR 44 -11.500 -11.099 -2.047 331 HB THR 44 HB THR 44 -11.061 -12.518 -0.354 332 HG1 THR 44 HG1 THR 44 -13.491 -13.939 -0.697 333 HG21 THR 44 HG21 THR 44 -13.827 -11.626 0.336 334 HG22 THR 44 HG22 THR 44 -12.296 -10.720 0.497 335 HG23 THR 44 HG23 THR 44 -12.516 -12.185 1.425 336 H ASP 45 HN ASP 45 -13.119 -12.694 -4.397 337 HA ASP 45 HA ASP 45 -11.670 -15.144 -4.727 338 HB2 ASP 45 HB2 ASP 45 -13.219 -13.240 -6.457 339 HB3 ASP 45 HB3 ASP 45 -12.287 -14.483 -7.266 340 H LEU 46 HN LEU 46 -10.954 -11.793 -5.480 341 HA LEU 46 HA LEU 46 -8.913 -12.616 -7.366 342 HB2 LEU 46 HB2 LEU 46 -9.514 -9.713 -6.784 343 HB3 LEU 46 HB3 LEU 46 -8.757 -10.470 -8.157 344 HG LEU 46 HG LEU 46 -11.054 -11.554 -8.659 345 HD11 LEU 46 HD11 LEU 46 -11.937 -9.271 -6.812 346 HD12 LEU 46 HD12 LEU 46 -12.278 -10.989 -6.560 347 HD13 LEU 46 HD13 LEU 46 -12.996 -10.172 -7.932 348 HD21 LEU 46 HD21 LEU 46 -10.041 -9.742 -10.003 349 HD22 LEU 46 HD22 LEU 46 -10.675 -8.533 -8.868 350 HD23 LEU 46 HD23 LEU 46 -11.779 -9.519 -9.854 351 H VAL 47 HN VAL 47 -8.956 -12.492 -4.178 352 HA VAL 47 HA VAL 47 -6.234 -11.351 -3.892 353 HB VAL 47 HB VAL 47 -7.587 -9.884 -2.803 354 HG11 VAL 47 HG11 VAL 47 -9.170 -10.132 -1.104 355 HG12 VAL 47 HG12 VAL 47 -9.605 -10.782 -2.670 356 HG13 VAL 47 HG13 VAL 47 -9.118 -11.893 -1.352 357 HG21 VAL 47 HG21 VAL 47 -6.682 -11.606 -0.481 358 HG22 VAL 47 HG22 VAL 47 -5.579 -10.547 -1.400 359 HG23 VAL 47 HG23 VAL 47 -6.920 -9.866 -0.467 360 H ALA 48 HN ALA 48 -4.764 -12.304 -2.404 361 HA ALA 48 HA ALA 48 -4.612 -15.124 -2.761 362 HB1 ALA 48 HB1 ALA 48 -2.603 -14.931 -1.324 363 HB2 ALA 48 HB2 ALA 48 -2.624 -13.626 -2.524 364 HB3 ALA 48 HB3 ALA 48 -3.084 -13.295 -0.839 365 HA PRO 49 HA PRO 49 -7.093 -16.458 0.665 366 HB2 PRO 49 HB2 PRO 49 -5.873 -18.806 1.453 367 HB3 PRO 49 HB3 PRO 49 -6.930 -18.627 0.018 368 HG2 PRO 49 HG2 PRO 49 -3.914 -18.542 0.142 369 HG3 PRO 49 HG3 PRO 49 -4.955 -19.430 -1.025 370 HD2 PRO 49 HD2 PRO 49 -3.831 -17.053 -1.675 371 HD3 PRO 49 HD3 PRO 49 -5.512 -17.432 -2.178 372 H GLU 50 HN GLU 50 -3.504 -16.336 1.238 373 HA GLU 50 HA GLU 50 -3.708 -16.285 4.041 374 HB2 GLU 50 HB2 GLU 50 -1.446 -15.531 4.026 375 HB3 GLU 50 HB3 GLU 50 -1.618 -16.670 2.690 376 HG2 GLU 50 HG2 GLU 50 -1.745 -14.691 1.106 377 HG3 GLU 50 HG3 GLU 50 -1.563 -13.637 2.476 378 H TRP 51 HN TRP 51 -4.505 -13.819 1.706 379 HA TRP 51 HA TRP 51 -4.309 -11.706 3.736 380 HB2 TRP 51 HB2 TRP 51 -4.651 -11.635 0.787 381 HB3 TRP 51 HB3 TRP 51 -5.373 -10.345 1.746 382 HD1 TRP 51 HD1 TRP 51 -1.978 -11.771 0.785 383 HE1 TRP 51 HE1 TRP 51 -0.117 -10.180 1.453 384 HE3 TRP 51 HE3 TRP 51 -4.751 -8.333 3.430 385 HZ2 TRP 51 HZ2 TRP 51 0.154 -7.666 2.978 386 HZ3 TRP 51 HZ3 TRP 51 -3.655 -6.427 4.520 387 HH2 TRP 51 HH2 TRP 51 -1.198 -6.106 4.336 388 H ARG 52 HN ARG 52 -6.939 -13.256 1.738 389 HA ARG 52 HA ARG 52 -8.868 -11.677 3.165 390 HB2 ARG 52 HB2 ARG 52 -10.587 -13.141 2.224 391 HB3 ARG 52 HB3 ARG 52 -9.506 -12.367 1.084 392 HG2 ARG 52 HG2 ARG 52 -8.512 -15.055 1.718 393 HG3 ARG 52 HG3 ARG 52 -10.220 -15.130 1.273 394 HD2 ARG 52 HD2 ARG 52 -9.681 -13.730 -0.772 395 HD3 ARG 52 HD3 ARG 52 -8.046 -13.702 -0.308 396 HE ARG 52 HE ARG 52 -7.903 -15.545 -1.603 397 HH11 ARG 52 HH11 ARG 52 -11.309 -15.403 -0.582 398 HH12 ARG 52 HH12 ARG 52 -11.758 -16.617 -1.699 399 HH21 ARG 52 HH21 ARG 52 -8.543 -17.244 -2.941 400 HH22 ARG 52 HH22 ARG 52 -10.142 -17.897 -2.740 401 H GLN 53 HN GLN 53 -7.256 -14.544 4.119 402 HA GLN 53 HA GLN 53 -8.929 -16.135 5.297 403 HB2 GLN 53 HB2 GLN 53 -6.110 -15.592 5.472 404 HB3 GLN 53 HB3 GLN 53 -6.655 -15.859 7.125 405 HG2 GLN 53 HG2 GLN 53 -7.734 -17.929 6.497 406 HG3 GLN 53 HG3 GLN 53 -7.354 -17.665 4.788 407 HE21 GLN 53 HE21 GLN 53 -6.620 -19.963 5.423 408 HE22 GLN 53 HE22 GLN 53 -4.887 -20.147 5.648 409 H ASP 54 HN ASP 54 -8.063 -13.153 6.884 410 HA ASP 54 HA ASP 54 -10.069 -13.684 9.046 411 HB2 ASP 54 HB2 ASP 54 -7.130 -13.052 9.326 412 HB3 ASP 54 HB3 ASP 54 -8.234 -12.401 10.520 413 H TYR 55 HN TYR 55 -9.738 -11.875 6.496 414 HA TYR 55 HA TYR 55 -9.656 -9.180 7.814 415 HB2 TYR 55 HB2 TYR 55 -8.521 -10.170 5.219 416 HB3 TYR 55 HB3 TYR 55 -8.799 -8.464 5.549 417 HD1 TYR 55 HD1 TYR 55 -7.188 -11.396 7.375 418 HD2 TYR 55 HD2 TYR 55 -6.922 -7.239 6.210 419 HE1 TYR 55 HE1 TYR 55 -5.243 -11.165 8.739 420 HE2 TYR 55 HE2 TYR 55 -4.938 -7.008 7.573 421 HH TYR 55 HH TYR 55 -3.891 -8.093 9.513 422 HA PRO 56 HA PRO 56 -13.716 -9.914 5.542 423 HB2 PRO 56 HB2 PRO 56 -15.427 -8.639 7.303 424 HB3 PRO 56 HB3 PRO 56 -14.959 -10.363 7.421 425 HG2 PRO 56 HG2 PRO 56 -13.743 -7.995 8.878 426 HG3 PRO 56 HG3 PRO 56 -14.249 -9.578 9.561 427 HD2 PRO 56 HD2 PRO 56 -11.662 -9.065 8.939 428 HD3 PRO 56 HD3 PRO 56 -12.366 -10.676 8.604 429 H GLU 57 HN GLU 57 -12.102 -7.093 6.858 430 HA GLU 57 HA GLU 57 -13.502 -5.234 4.998 431 HB2 GLU 57 HB2 GLU 57 -12.937 -4.979 7.973 432 HB3 GLU 57 HB3 GLU 57 -13.210 -3.560 6.957 433 HG2 GLU 57 HG2 GLU 57 -15.408 -4.362 6.275 434 HG3 GLU 57 HG3 GLU 57 -15.174 -5.866 7.167 435 HA PRO 58 HA PRO 58 -9.498 -4.047 3.926 436 HB2 PRO 58 HB2 PRO 58 -9.635 -1.219 3.981 437 HB3 PRO 58 HB3 PRO 58 -9.905 -2.308 2.587 438 HG2 PRO 58 HG2 PRO 58 -11.877 -0.904 4.319 439 HG3 PRO 58 HG3 PRO 58 -12.048 -1.508 2.638 440 HD2 PRO 58 HD2 PRO 58 -13.162 -2.731 4.869 441 HD3 PRO 58 HD3 PRO 58 -12.755 -3.589 3.356 442 HA PRO 59 HA PRO 59 -7.186 -2.764 7.558 443 HB2 PRO 59 HB2 PRO 59 -4.730 -2.517 6.494 444 HB3 PRO 59 HB3 PRO 59 -5.557 -4.104 6.691 445 HG2 PRO 59 HG2 PRO 59 -5.361 -2.474 4.153 446 HG3 PRO 59 HG3 PRO 59 -5.050 -4.226 4.394 447 HD2 PRO 59 HD2 PRO 59 -7.413 -3.166 3.511 448 HD3 PRO 59 HD3 PRO 59 -7.335 -4.682 4.464 449 H ASP 60 HN ASP 60 -7.699 -0.710 8.267 450 HA ASP 60 HA ASP 60 -7.261 1.591 6.464 451 HB2 ASP 60 HB2 ASP 60 -9.283 1.656 7.873 452 HB3 ASP 60 HB3 ASP 60 -8.255 1.652 9.347 453 H PHE 61 HN PHE 61 -4.938 1.644 6.256 454 HA PHE 61 HA PHE 61 -3.316 1.450 8.615 455 HB2 PHE 61 HB2 PHE 61 -2.633 2.524 5.871 456 HB3 PHE 61 HB3 PHE 61 -1.479 2.111 7.126 457 HD1 PHE 61 HD2 PHE 61 -1.205 -0.294 7.873 458 HD2 PHE 61 HD1 PHE 61 -3.729 0.768 4.538 459 HE1 PHE 61 HE2 PHE 61 -1.081 -2.619 7.005 460 HE2 PHE 61 HE1 PHE 61 -3.512 -1.504 3.648 461 HZ PHE 61 HZ PHE 61 -2.299 -3.236 4.921 462 H ILE 62 HN ILE 62 -5.389 3.988 7.854 463 HA ILE 62 HA ILE 62 -3.665 6.173 8.708 464 HB ILE 62 HB ILE 62 -6.693 6.186 8.440 465 HG12 ILE 62 HG12 ILE 62 -4.722 6.878 6.209 466 HG13 ILE 62 HG13 ILE 62 -5.582 5.360 6.332 467 HG21 ILE 62 HG21 ILE 62 -6.301 8.635 8.030 468 HG22 ILE 62 HG22 ILE 62 -5.745 8.119 9.630 469 HG23 ILE 62 HG23 ILE 62 -4.577 8.381 8.318 470 HD11 ILE 62 HD11 ILE 62 -6.632 6.998 4.811 471 HD12 ILE 62 HD12 ILE 62 -7.683 6.215 6.005 472 HD13 ILE 62 HD13 ILE 62 -7.175 7.879 6.263 473 H ALA 63 HN ALA 63 -6.626 4.461 10.135 474 HA ALA 63 HA ALA 63 -6.126 5.880 12.663 475 HB1 ALA 63 HB1 ALA 63 -8.286 4.882 13.282 476 HB2 ALA 63 HB2 ALA 63 -8.415 5.696 11.710 477 HB3 ALA 63 HB3 ALA 63 -8.304 3.922 11.790 478 H SER 64 HN SER 64 -5.589 2.783 11.114 479 HA SER 64 HA SER 64 -5.225 1.462 13.722 480 HB2 SER 64 HB2 SER 64 -6.516 -0.244 12.983 481 HB3 SER 64 HB3 SER 64 -7.317 1.101 12.230 482 HG SER 64 HG SER 64 -6.096 0.619 10.317 483 H ARG 65 HN ARG 65 -3.538 -0.196 13.835 484 HA ARG 65 HA ARG 65 -2.069 -0.630 11.303 485 HB2 ARG 65 HB2 ARG 65 0.144 -0.317 12.332 486 HB3 ARG 65 HB3 ARG 65 -0.829 1.138 12.233 487 HG2 ARG 65 HG2 ARG 65 0.231 1.342 14.245 488 HG3 ARG 65 HG3 ARG 65 -1.381 0.846 14.714 489 HD2 ARG 65 HD2 ARG 65 -0.579 -1.455 15.113 490 HD3 ARG 65 HD3 ARG 65 1.011 -1.041 14.498 491 HE ARG 65 HE ARG 65 -0.165 -0.470 17.108 492 HH11 ARG 65 HH11 ARG 65 2.496 0.265 14.945 493 HH12 ARG 65 HH12 ARG 65 3.217 1.500 15.900 494 HH21 ARG 65 HH21 ARG 65 0.790 1.018 18.534 495 HH22 ARG 65 HH22 ARG 65 2.208 1.936 18.092 496 HA PRO 66 HA PRO 66 -2.440 -4.511 13.748 497 HB2 PRO 66 HB2 PRO 66 -4.609 -5.759 12.657 498 HB3 PRO 66 HB3 PRO 66 -4.721 -4.681 14.068 499 HG2 PRO 66 HG2 PRO 66 -5.334 -3.988 11.195 500 HG3 PRO 66 HG3 PRO 66 -6.266 -3.590 12.668 501 HD2 PRO 66 HD2 PRO 66 -4.486 -1.858 11.475 502 HD3 PRO 66 HD3 PRO 66 -4.826 -1.872 13.237 503 H ALA 67 HN ALA 67 -3.622 -3.963 10.450 504 HA ALA 67 HA ALA 67 -2.420 -6.149 9.203 505 HB1 ALA 67 HB1 ALA 67 -3.280 -3.455 8.061 506 HB2 ALA 67 HB2 ALA 67 -3.034 -4.950 7.121 507 HB3 ALA 67 HB3 ALA 67 -4.324 -4.868 8.338 508 H THR 68 HN THR 68 -0.899 -3.087 10.094 509 HA THR 68 HA THR 68 1.040 -2.870 8.099 510 HB THR 68 HB THR 68 1.249 -2.290 11.085 511 HG1 THR 68 HG1 THR 68 0.758 -0.154 9.587 512 HG21 THR 68 HG21 THR 68 3.423 -2.261 9.982 513 HG22 THR 68 HG22 THR 68 2.944 -0.634 10.383 514 HG23 THR 68 HG23 THR 68 2.791 -1.209 8.698 515 H VAL 69 HN VAL 69 0.869 -5.092 10.891 516 HA VAL 69 HA VAL 69 3.569 -5.969 10.810 517 HB VAL 69 HB VAL 69 1.045 -7.439 11.694 518 HG11 VAL 69 HG11 VAL 69 2.505 -8.795 13.054 519 HG12 VAL 69 HG12 VAL 69 3.107 -8.871 11.390 520 HG13 VAL 69 HG13 VAL 69 3.931 -7.844 12.573 521 HG21 VAL 69 HG21 VAL 69 1.173 -5.322 12.936 522 HG22 VAL 69 HG22 VAL 69 1.659 -6.648 13.994 523 HG23 VAL 69 HG23 VAL 69 2.895 -5.595 13.274 524 H LYS 70 HN LYS 70 0.532 -7.149 9.283 525 HA LYS 70 HA LYS 70 1.761 -9.280 7.899 526 HB2 LYS 70 HB2 LYS 70 -0.667 -9.139 8.411 527 HB3 LYS 70 HB3 LYS 70 -0.838 -7.840 7.215 528 HG2 LYS 70 HG2 LYS 70 -0.130 -9.327 5.422 529 HG3 LYS 70 HG3 LYS 70 0.306 -10.598 6.582 530 HD2 LYS 70 HD2 LYS 70 -2.085 -10.834 7.227 531 HD3 LYS 70 HD3 LYS 70 -2.497 -9.483 6.166 532 HE2 LYS 70 HE2 LYS 70 -2.985 -11.566 5.050 533 HE3 LYS 70 HE3 LYS 70 -1.659 -10.756 4.203 534 HZ1 LYS 70 HZ1 LYS 70 -0.134 -12.307 5.371 535 HZ2 LYS 70 HZ2 LYS 70 -1.224 -13.074 4.436 536 HZ3 LYS 70 HZ3 LYS 70 -1.460 -13.033 6.059 537 H LEU 71 HN LEU 71 1.059 -5.906 6.966 538 HA LEU 71 HA LEU 71 1.845 -6.067 4.267 539 HB2 LEU 71 HB2 LEU 71 0.965 -4.044 5.893 540 HB3 LEU 71 HB3 LEU 71 2.699 -3.671 5.841 541 HG LEU 71 HG LEU 71 2.581 -3.695 3.354 542 HD11 LEU 71 HD11 LEU 71 0.273 -3.336 2.344 543 HD12 LEU 71 HD12 LEU 71 -0.429 -3.794 3.901 544 HD13 LEU 71 HD13 LEU 71 0.499 -4.975 2.945 545 HD21 LEU 71 HD21 LEU 71 1.484 -1.513 3.174 546 HD22 LEU 71 HD22 LEU 71 2.506 -1.606 4.626 547 HD23 LEU 71 HD23 LEU 71 0.717 -1.769 4.757 548 H THR 72 HN THR 72 3.862 -5.684 7.239 549 HA THR 72 HA THR 72 6.315 -5.427 5.781 550 HB THR 72 HB THR 72 5.485 -5.928 8.645 551 HG1 THR 72 HG1 THR 72 6.507 -3.720 7.179 552 HG21 THR 72 HG21 THR 72 7.600 -7.004 8.486 553 HG22 THR 72 HG22 THR 72 7.811 -5.460 9.333 554 HG23 THR 72 HG23 THR 72 8.324 -5.607 7.629 555 H ARG 73 HN ARG 73 4.482 -8.326 6.832 556 HA ARG 73 HA ARG 73 6.483 -10.237 6.524 557 HB2 ARG 73 HB2 ARG 73 3.608 -10.467 5.537 558 HB3 ARG 73 HB3 ARG 73 4.669 -11.809 5.757 559 HG2 ARG 73 HG2 ARG 73 4.170 -10.033 8.151 560 HG3 ARG 73 HG3 ARG 73 2.873 -11.070 7.586 561 HD2 ARG 73 HD2 ARG 73 4.403 -11.888 9.460 562 HD3 ARG 73 HD3 ARG 73 3.899 -13.012 8.179 563 HE ARG 73 HE ARG 73 6.541 -11.638 8.360 564 HH11 ARG 73 HH11 ARG 73 4.951 -14.779 7.834 565 HH12 ARG 73 HH12 ARG 73 6.194 -15.348 6.762 566 HH21 ARG 73 HH21 ARG 73 8.065 -12.377 6.796 567 HH22 ARG 73 HH22 ARG 73 7.900 -13.960 6.092 568 H SER 74 HN SER 74 5.026 -8.293 4.007 569 HA SER 74 HA SER 74 6.077 -9.932 1.800 570 HB2 SER 74 HB2 SER 74 3.912 -9.178 1.506 571 HB3 SER 74 HB3 SER 74 4.236 -7.567 2.146 572 HG SER 74 HG SER 74 5.290 -8.504 -0.313 573 H ILE 75 HN ILE 75 7.529 -7.746 3.899 574 HA ILE 75 HA ILE 75 9.194 -6.552 1.741 575 HB ILE 75 HB ILE 75 8.735 -5.404 4.478 576 HG12 ILE 75 HG12 ILE 75 7.519 -4.602 1.770 577 HG13 ILE 75 HG13 ILE 75 6.633 -5.405 3.065 578 HG21 ILE 75 HG21 ILE 75 9.901 -3.466 3.526 579 HG22 ILE 75 HG22 ILE 75 10.905 -4.885 3.214 580 HG23 ILE 75 HG23 ILE 75 9.909 -4.213 1.912 581 HD11 ILE 75 HD11 ILE 75 7.806 -2.622 3.212 582 HD12 ILE 75 HD12 ILE 75 6.100 -3.103 3.193 583 HD13 ILE 75 HD13 ILE 75 7.103 -3.533 4.580 584 HA PRO 76 HA PRO 76 12.074 -9.521 3.837 585 HB2 PRO 76 HB2 PRO 76 13.251 -10.492 1.607 586 HB3 PRO 76 HB3 PRO 76 11.555 -10.945 1.956 587 HG2 PRO 76 HG2 PRO 76 12.365 -8.667 0.182 588 HG3 PRO 76 HG3 PRO 76 11.382 -10.119 -0.241 589 HD2 PRO 76 HD2 PRO 76 10.133 -7.899 0.637 590 HD3 PRO 76 HD3 PRO 76 9.640 -9.489 1.267 591 H ALA 77 HN ALA 77 14.591 -9.480 3.306 592 HA ALA 77 HA ALA 77 15.640 -6.992 4.000 593 HB1 ALA 77 HB1 ALA 77 16.811 -9.567 2.906 594 HB2 ALA 77 HB2 ALA 77 17.814 -8.145 3.201 595 HB3 ALA 77 HB3 ALA 77 16.909 -8.882 4.538 596 HA PRO 78 HA PRO 78 17.152 -6.325 -0.512 597 HB2 PRO 78 HB2 PRO 78 15.893 -7.600 -2.607 598 HB3 PRO 78 HB3 PRO 78 17.304 -8.274 -1.730 599 HG2 PRO 78 HG2 PRO 78 14.355 -8.838 -1.209 600 HG3 PRO 78 HG3 PRO 78 15.674 -10.040 -1.386 601 HD2 PRO 78 HD2 PRO 78 14.957 -9.402 0.991 602 HD3 PRO 78 HD3 PRO 78 16.695 -9.464 0.608 603 H TYR 79 HN TYR 79 13.817 -6.365 0.531 604 HA TYR 79 HA TYR 79 13.076 -4.429 -1.607 605 HB2 TYR 79 HB2 TYR 79 11.453 -6.354 0.011 606 HB3 TYR 79 HB3 TYR 79 10.754 -5.122 -1.006 607 HD1 TYR 79 HD2 TYR 79 13.169 -5.579 -3.194 608 HD2 TYR 79 HD1 TYR 79 10.162 -8.122 -1.343 609 HE1 TYR 79 HE2 TYR 79 12.901 -6.725 -5.243 610 HE2 TYR 79 HE1 TYR 79 10.026 -9.410 -3.419 611 HH TYR 79 HH TYR 79 12.226 -9.499 -5.660 612 H LYS 80 HN LYS 80 14.272 -4.258 1.302 613 HA LYS 80 HA LYS 80 12.349 -2.946 2.968 614 HB2 LYS 80 HB2 LYS 80 15.398 -2.917 2.883 615 HB3 LYS 80 HB3 LYS 80 14.508 -1.994 4.096 616 HG2 LYS 80 HG2 LYS 80 14.196 -5.001 3.715 617 HG3 LYS 80 HG3 LYS 80 15.290 -4.245 4.882 618 HD2 LYS 80 HD2 LYS 80 13.417 -3.088 5.948 619 HD3 LYS 80 HD3 LYS 80 12.267 -3.822 4.813 620 HE2 LYS 80 HE2 LYS 80 12.483 -5.938 5.649 621 HE3 LYS 80 HE3 LYS 80 14.080 -5.646 6.345 622 HZ1 LYS 80 HZ1 LYS 80 13.017 -4.159 7.934 623 HZ2 LYS 80 HZ2 LYS 80 12.508 -5.693 8.101 624 HZ3 LYS 80 HZ3 LYS 80 11.525 -4.537 7.378 625 H GLN 81 HN GLN 81 14.761 -1.516 0.763 626 HA GLN 81 HA GLN 81 13.707 1.168 1.533 627 HB2 GLN 81 HB2 GLN 81 16.537 0.451 0.672 628 HB3 GLN 81 HB3 GLN 81 15.946 1.975 1.352 629 HG2 GLN 81 HG2 GLN 81 15.215 0.492 3.394 630 HG3 GLN 81 HG3 GLN 81 16.347 -0.693 2.733 631 HE21 GLN 81 HE21 GLN 81 18.428 -0.493 3.417 632 HE22 GLN 81 HE22 GLN 81 18.927 0.747 4.537 633 H LEU 82 HN LEU 82 12.903 -0.644 -0.817 634 HA LEU 82 HA LEU 82 14.169 0.231 -3.169 635 HB2 LEU 82 HB2 LEU 82 11.253 -0.514 -2.922 636 HB3 LEU 82 HB3 LEU 82 12.228 -0.500 -4.396 637 HG LEU 82 HG LEU 82 12.286 -2.417 -2.084 638 HD11 LEU 82 HD11 LEU 82 10.676 -2.587 -4.031 639 HD12 LEU 82 HD12 LEU 82 11.691 -4.006 -3.790 640 HD13 LEU 82 HD13 LEU 82 12.083 -2.828 -5.076 641 HD21 LEU 82 HD21 LEU 82 14.212 -3.500 -3.532 642 HD22 LEU 82 HD22 LEU 82 14.597 -2.205 -2.378 643 HD23 LEU 82 HD23 LEU 82 14.470 -1.816 -4.071 644 H LEU 83 HN LEU 83 11.438 1.691 -1.397 645 HA LEU 83 HA LEU 83 10.689 3.554 -3.407 646 HB2 LEU 83 HB2 LEU 83 9.434 4.510 -2.101 647 HB3 LEU 83 HB3 LEU 83 9.391 2.902 -1.555 648 HG LEU 83 HG LEU 83 11.050 3.690 0.316 649 HD11 LEU 83 HD11 LEU 83 10.016 6.130 -1.114 650 HD12 LEU 83 HD12 LEU 83 11.645 5.904 -0.496 651 HD13 LEU 83 HD13 LEU 83 10.376 6.265 0.659 652 HD21 LEU 83 HD21 LEU 83 8.381 3.354 0.229 653 HD22 LEU 83 HD22 LEU 83 8.391 5.060 0.613 654 HD23 LEU 83 HD23 LEU 83 9.246 3.920 1.679 655 H LYS 84 HN LYS 84 13.187 3.603 -1.189 656 HA LYS 84 HA LYS 84 14.132 6.326 -1.857 657 HB2 LYS 84 HB2 LYS 84 14.194 5.829 0.442 658 HB3 LYS 84 HB3 LYS 84 15.062 4.295 0.209 659 HG2 LYS 84 HG2 LYS 84 17.080 5.374 -0.363 660 HG3 LYS 84 HG3 LYS 84 16.239 6.883 -0.722 661 HD2 LYS 84 HD2 LYS 84 15.868 7.272 1.695 662 HD3 LYS 84 HD3 LYS 84 16.773 5.772 2.065 663 HE2 LYS 84 HE2 LYS 84 18.747 6.622 0.890 664 HE3 LYS 84 HE3 LYS 84 17.858 8.028 0.316 665 HZ1 LYS 84 HZ1 LYS 84 17.833 8.924 2.519 666 HZ2 LYS 84 HZ2 LYS 84 19.348 8.526 2.063 667 HZ3 LYS 84 HZ3 LYS 84 18.604 7.578 3.147 668 H GLU 85 HN GLU 85 15.180 3.039 -2.542 669 HA GLU 85 HA GLU 85 17.538 3.820 -4.046 670 HB2 GLU 85 HB2 GLU 85 15.777 1.333 -4.028 671 HB3 GLU 85 HB3 GLU 85 17.080 1.508 -5.181 672 HG2 GLU 85 HG2 GLU 85 18.607 2.023 -3.168 673 HG3 GLU 85 HG3 GLU 85 17.299 1.421 -2.152 674 H GLU 86 HN GLU 86 14.309 2.773 -5.168 675 HA GLU 86 HA GLU 86 14.876 3.387 -7.909 676 HB2 GLU 86 HB2 GLU 86 12.247 2.613 -6.542 677 HB3 GLU 86 HB3 GLU 86 12.555 2.647 -8.281 678 HG2 GLU 86 HG2 GLU 86 14.496 1.051 -7.827 679 HG3 GLU 86 HG3 GLU 86 13.892 0.860 -6.195 680 H LEU 87 HN LEU 87 12.204 4.585 -5.915 681 HA LEU 87 HA LEU 87 11.697 6.800 -7.657 682 HB2 LEU 87 HB2 LEU 87 10.901 7.333 -4.840 683 HB3 LEU 87 HB3 LEU 87 9.994 7.522 -6.301 684 HG LEU 87 HG LEU 87 10.509 4.938 -4.907 685 HD11 LEU 87 HD11 LEU 87 8.197 5.038 -4.098 686 HD12 LEU 87 HD12 LEU 87 7.952 6.567 -4.965 687 HD13 LEU 87 HD13 LEU 87 9.090 6.498 -3.590 688 HD21 LEU 87 HD21 LEU 87 8.456 5.470 -7.017 689 HD22 LEU 87 HD22 LEU 87 8.725 3.961 -6.096 690 HD23 LEU 87 HD23 LEU 87 9.967 4.532 -7.234 691 H GLY 88 HN GLY 88 13.394 6.637 -4.527 692 HA2 GLY 88 HA2 GLY 88 15.221 8.042 -3.871 693 HA3 GLY 88 HA1 GLY 88 14.732 9.244 -5.056 694 H PHE 89 HN PHE 89 12.231 7.783 -2.984 695 HA PHE 89 HA PHE 89 11.968 10.362 -1.548 696 HB2 PHE 89 HB2 PHE 89 9.941 9.641 -2.339 697 HB3 PHE 89 HB3 PHE 89 10.101 8.025 -1.699 698 HD1 PHE 89 HD2 PHE 89 10.207 11.643 -0.561 699 HD2 PHE 89 HD1 PHE 89 8.808 7.651 0.304 700 HE1 PHE 89 HE2 PHE 89 9.191 12.443 1.538 701 HE2 PHE 89 HE1 PHE 89 7.836 8.448 2.424 702 HZ PHE 89 HZ PHE 89 7.989 10.853 3.035 703 H ALA 90 HN ALA 90 11.453 9.924 0.992 704 HA ALA 90 HA ALA 90 13.035 7.812 2.156 705 HB1 ALA 90 HB1 ALA 90 14.015 10.695 2.478 706 HB2 ALA 90 HB2 ALA 90 14.566 9.310 3.447 707 HB3 ALA 90 HB3 ALA 90 14.890 9.370 1.704 708 H GLY 91 HN GLY 91 12.155 11.147 3.249 709 HA2 GLY 91 HA2 GLY 91 9.814 10.161 4.688 710 HA3 GLY 91 HA1 GLY 91 11.144 10.804 5.669 711 H TYR 92 HN TYR 92 8.653 11.983 5.659 712 HA TYR 92 HA TYR 92 8.464 14.148 3.736 713 HB2 TYR 92 HB2 TYR 92 6.955 13.540 6.304 714 HB3 TYR 92 HB3 TYR 92 6.561 14.844 5.189 715 HD1 TYR 92 HD2 TYR 92 5.707 14.375 2.909 716 HD2 TYR 92 HD1 TYR 92 6.482 11.177 5.706 717 HE1 TYR 92 HE2 TYR 92 4.304 12.835 1.552 718 HE2 TYR 92 HE1 TYR 92 5.146 9.637 4.306 719 HH TYR 92 HH TYR 92 3.287 10.723 1.461 720 H SER 93 HN SER 93 9.008 16.261 4.001 721 HA SER 93 HA SER 93 11.063 17.035 5.780 722 HB2 SER 93 HB2 SER 93 9.033 18.780 4.363 723 HB3 SER 93 HB3 SER 93 10.608 19.282 4.875 724 HG SER 93 HG SER 93 10.801 17.059 3.275 725 H ILE 94 HN ILE 94 10.924 18.728 7.359 726 HA ILE 94 HA ILE 94 9.251 17.868 9.445 727 HB ILE 94 HB ILE 94 11.412 18.763 9.905 728 HG12 ILE 94 HG12 ILE 94 10.884 20.268 11.819 729 HG13 ILE 94 HG13 ILE 94 9.233 20.427 11.259 730 HG21 ILE 94 HG21 ILE 94 11.971 21.110 9.807 731 HG22 ILE 94 HG22 ILE 94 11.472 20.565 8.199 732 HG23 ILE 94 HG23 ILE 94 10.357 21.521 9.211 733 HD11 ILE 94 HD11 ILE 94 8.828 18.033 11.634 734 HD12 ILE 94 HD12 ILE 94 10.546 17.778 12.034 735 HD13 ILE 94 HD13 ILE 94 9.511 18.755 13.093 736 H ASN 95 HN ASN 95 8.960 20.730 7.407 737 HA ASN 95 HA ASN 95 6.693 21.682 8.923 738 HB2 ASN 95 HB2 ASN 95 7.773 22.615 6.244 739 HB3 ASN 95 HB3 ASN 95 6.453 23.390 7.131 740 HD21 ASN 95 HD21 ASN 95 9.580 24.012 6.547 741 HD22 ASN 95 HD22 ASN 95 10.067 24.517 8.157 742 H GLU 96 HN GLU 96 6.919 19.246 6.527 743 HA GLU 96 HA GLU 96 4.025 19.399 5.861 744 HB2 GLU 96 HB2 GLU 96 6.409 18.010 4.572 745 HB3 GLU 96 HB3 GLU 96 4.747 17.734 4.062 746 HG2 GLU 96 HG2 GLU 96 6.042 20.507 4.054 747 HG3 GLU 96 HG3 GLU 96 6.101 19.386 2.713 748 H LEU 97 HN LEU 97 5.967 18.052 8.203 749 HA LEU 97 HA LEU 97 5.435 15.368 7.859 750 HB2 LEU 97 HB2 LEU 97 7.214 16.960 9.274 751 HB3 LEU 97 HB3 LEU 97 6.310 16.287 10.600 752 HG LEU 97 HG LEU 97 7.749 14.902 8.347 753 HD11 LEU 97 HD11 LEU 97 9.275 15.736 10.052 754 HD12 LEU 97 HD12 LEU 97 9.198 13.981 10.237 755 HD13 LEU 97 HD13 LEU 97 8.294 15.023 11.348 756 HD21 LEU 97 HD21 LEU 97 5.770 13.540 8.945 757 HD22 LEU 97 HD22 LEU 97 6.253 13.567 10.649 758 HD23 LEU 97 HD23 LEU 97 7.246 12.730 9.434 759 H VAL 98 HN VAL 98 3.069 15.561 7.640 760 HA VAL 98 HA VAL 98 1.594 15.730 10.193 761 HB VAL 98 HB VAL 98 -0.426 15.563 8.750 762 HG11 VAL 98 HG11 VAL 98 0.676 17.723 9.276 763 HG12 VAL 98 HG12 VAL 98 1.584 17.610 7.743 764 HG13 VAL 98 HG13 VAL 98 -0.197 17.726 7.728 765 HG21 VAL 98 HG21 VAL 98 0.367 14.259 6.856 766 HG22 VAL 98 HG22 VAL 98 -0.203 15.822 6.289 767 HG23 VAL 98 HG23 VAL 98 1.540 15.514 6.427 768 HA PRO 99 HA PRO 99 1.243 11.306 10.819 769 HB2 PRO 99 HB2 PRO 99 -1.496 11.063 11.379 770 HB3 PRO 99 HB3 PRO 99 -0.248 11.517 12.565 771 HG2 PRO 99 HG2 PRO 99 -2.080 13.320 10.990 772 HG3 PRO 99 HG3 PRO 99 -1.631 13.425 12.721 773 HD2 PRO 99 HD2 PRO 99 -0.443 15.010 10.906 774 HD3 PRO 99 HD3 PRO 99 0.534 14.258 12.195 775 H ARG 100 HN ARG 100 -1.062 13.093 8.759 776 HA ARG 100 HA ARG 100 -2.199 10.796 7.486 777 HB2 ARG 100 HB2 ARG 100 -1.939 13.714 6.625 778 HB3 ARG 100 HB3 ARG 100 -2.879 12.513 5.746 779 HG2 ARG 100 HG2 ARG 100 -4.239 12.060 7.775 780 HG3 ARG 100 HG3 ARG 100 -3.292 13.250 8.686 781 HD2 ARG 100 HD2 ARG 100 -3.969 15.002 7.047 782 HD3 ARG 100 HD3 ARG 100 -5.041 13.810 6.275 783 HE ARG 100 HE ARG 100 -5.561 13.858 9.057 784 HH11 ARG 100 HH11 ARG 100 -5.897 15.909 6.229 785 HH12 ARG 100 HH12 ARG 100 -7.408 16.620 6.691 786 HH21 ARG 100 HH21 ARG 100 -7.184 15.217 9.997 787 HH22 ARG 100 HH22 ARG 100 -8.136 16.278 9.020 788 H LYS 101 HN LYS 101 0.780 12.533 6.905 789 HA LYS 101 HA LYS 101 1.210 11.317 4.252 790 HB2 LYS 101 HB2 LYS 101 2.501 13.446 5.968 791 HB3 LYS 101 HB3 LYS 101 3.504 12.595 4.835 792 HG2 LYS 101 HG2 LYS 101 2.115 13.203 2.947 793 HG3 LYS 101 HG3 LYS 101 0.888 13.914 3.997 794 HD2 LYS 101 HD2 LYS 101 2.047 15.869 4.295 795 HD3 LYS 101 HD3 LYS 101 3.606 15.053 4.358 796 HE2 LYS 101 HE2 LYS 101 3.524 16.569 2.496 797 HE3 LYS 101 HE3 LYS 101 3.690 14.900 1.924 798 HZ1 LYS 101 HZ1 LYS 101 1.293 16.607 1.818 799 HZ2 LYS 101 HZ2 LYS 101 1.229 14.980 1.527 800 HZ3 LYS 101 HZ3 LYS 101 2.120 15.939 0.566 801 H THR 102 HN THR 102 2.656 11.095 7.627 802 HA THR 102 HA THR 102 4.553 9.177 6.743 803 HB THR 102 HB THR 102 4.770 8.720 9.214 804 HG1 THR 102 HG1 THR 102 3.634 10.460 10.452 805 HG21 THR 102 HG21 THR 102 6.037 10.477 7.956 806 HG22 THR 102 HG22 THR 102 5.746 10.912 9.635 807 HG23 THR 102 HG23 THR 102 4.755 11.655 8.353 808 H ARG 103 HN ARG 103 1.228 8.725 7.962 809 HA ARG 103 HA ARG 103 1.319 5.854 8.061 810 HB2 ARG 103 HB2 ARG 103 -0.980 7.755 7.414 811 HB3 ARG 103 HB3 ARG 103 -1.178 6.039 7.722 812 HG2 ARG 103 HG2 ARG 103 -0.138 8.064 9.769 813 HG3 ARG 103 HG3 ARG 103 -1.759 7.399 9.667 814 HD2 ARG 103 HD2 ARG 103 -0.828 6.106 11.314 815 HD3 ARG 103 HD3 ARG 103 -0.556 5.105 9.876 816 HE ARG 103 HE ARG 103 1.709 6.792 10.360 817 HH11 ARG 103 HH11 ARG 103 0.040 3.924 11.599 818 HH12 ARG 103 HH12 ARG 103 1.484 3.030 11.917 819 HH21 ARG 103 HH21 ARG 103 3.689 5.691 11.040 820 HH22 ARG 103 HH22 ARG 103 3.588 4.110 11.741 821 H ARG 104 HN ARG 104 1.376 7.944 5.232 822 HA ARG 104 HA ARG 104 0.299 5.919 3.422 823 HB2 ARG 104 HB2 ARG 104 1.991 8.367 2.779 824 HB3 ARG 104 HB3 ARG 104 1.064 7.405 1.672 825 HG2 ARG 104 HG2 ARG 104 -0.522 8.553 3.888 826 HG3 ARG 104 HG3 ARG 104 0.250 9.739 2.844 827 HD2 ARG 104 HD2 ARG 104 -1.008 7.880 1.108 828 HD3 ARG 104 HD3 ARG 104 -2.139 8.108 2.437 829 HE ARG 104 HE ARG 104 -1.579 9.951 0.333 830 HH11 ARG 104 HH11 ARG 104 -2.045 10.135 3.881 831 HH12 ARG 104 HH12 ARG 104 -3.221 11.401 3.738 832 HH21 ARG 104 HH21 ARG 104 -2.645 12.050 0.308 833 HH22 ARG 104 HH22 ARG 104 -2.958 12.782 1.849 834 H ALA 105 HN ALA 105 3.508 7.172 4.296 835 HA ALA 105 HA ALA 105 5.057 6.085 2.328 836 HB1 ALA 105 HB1 ALA 105 6.973 6.239 3.891 837 HB2 ALA 105 HB2 ALA 105 5.927 7.655 3.974 838 HB3 ALA 105 HB3 ALA 105 5.848 6.415 5.254 839 H THR 106 HN THR 106 4.058 4.299 5.289 840 HA THR 106 HA THR 106 5.685 2.045 4.899 841 HB THR 106 HB THR 106 2.845 2.060 6.005 842 HG1 THR 106 HG1 THR 106 5.188 3.164 7.119 843 HG21 THR 106 HG21 THR 106 5.333 0.492 6.824 844 HG22 THR 106 HG22 THR 106 3.903 -0.155 5.986 845 HG23 THR 106 HG23 THR 106 3.755 0.437 7.642 846 H MET 107 HN MET 107 2.545 2.933 3.430 847 HA MET 107 HA MET 107 2.140 0.327 2.183 848 HB2 MET 107 HB2 MET 107 0.786 2.985 1.639 849 HB3 MET 107 HB3 MET 107 0.348 1.394 1.021 850 HG2 MET 107 HG2 MET 107 0.162 0.642 3.458 851 HG3 MET 107 HG3 MET 107 0.225 2.354 3.898 852 HE1 MET 107 HE1 MET 107 -1.639 3.785 1.619 853 HE2 MET 107 HE2 MET 107 -3.187 3.672 2.481 854 HE3 MET 107 HE3 MET 107 -1.721 4.069 3.395 855 H THR 108 HN THR 108 3.512 3.558 1.210 856 HA THR 108 HA THR 108 3.651 2.941 -1.514 857 HB THR 108 HB THR 108 5.822 4.666 -0.361 858 HG1 THR 108 HG1 THR 108 3.155 5.589 -0.331 859 HG21 THR 108 HG21 THR 108 5.315 4.592 -2.781 860 HG22 THR 108 HG22 THR 108 4.896 6.184 -2.128 861 HG23 THR 108 HG23 THR 108 3.615 5.009 -2.475 862 H ASN 109 HN ASN 109 6.081 2.220 1.041 863 HA ASN 109 HA ASN 109 7.917 1.145 -0.904 864 HB2 ASN 109 HB2 ASN 109 8.423 1.687 1.642 865 HB3 ASN 109 HB3 ASN 109 7.737 0.112 1.962 866 HD21 ASN 109 HD21 ASN 109 8.906 -1.779 1.381 867 HD22 ASN 109 HD22 ASN 109 10.499 -1.705 0.686 868 H TRP 110 HN TRP 110 5.145 -0.289 0.872 869 HA TRP 110 HA TRP 110 5.750 -3.036 0.209 870 HB2 TRP 110 HB2 TRP 110 4.294 -2.549 2.063 871 HB3 TRP 110 HB3 TRP 110 3.237 -1.568 1.072 872 HD1 TRP 110 HD1 TRP 110 4.079 -5.267 1.725 873 HE1 TRP 110 HE1 TRP 110 2.252 -6.734 0.658 874 HE3 TRP 110 HE3 TRP 110 1.335 -1.616 -0.558 875 HZ2 TRP 110 HZ2 TRP 110 -0.174 -6.348 -0.886 876 HZ3 TRP 110 HZ3 TRP 110 -0.707 -2.202 -1.860 877 HH2 TRP 110 HH2 TRP 110 -1.433 -4.559 -2.035 878 H LEU 111 HN LEU 111 3.973 -0.408 -1.434 879 HA LEU 111 HA LEU 111 2.662 -2.061 -3.406 880 HB2 LEU 111 HB2 LEU 111 3.440 0.878 -3.275 881 HB3 LEU 111 HB3 LEU 111 2.729 0.172 -4.729 882 HG LEU 111 HG LEU 111 1.300 0.005 -2.066 883 HD11 LEU 111 HD11 LEU 111 1.104 2.219 -4.148 884 HD12 LEU 111 HD12 LEU 111 1.710 2.382 -2.483 885 HD13 LEU 111 HD13 LEU 111 0.012 1.989 -2.772 886 HD21 LEU 111 HD21 LEU 111 0.259 0.025 -4.936 887 HD22 LEU 111 HD22 LEU 111 -0.692 -0.250 -3.471 888 HD23 LEU 111 HD23 LEU 111 0.512 -1.443 -3.985 889 H LEU 112 HN LEU 112 5.675 -0.143 -3.398 890 HA LEU 112 HA LEU 112 6.233 -0.950 -6.110 891 HB2 LEU 112 HB2 LEU 112 7.352 0.897 -6.196 892 HB3 LEU 112 HB3 LEU 112 6.625 1.237 -4.680 893 HG LEU 112 HG LEU 112 8.693 2.025 -4.492 894 HD11 LEU 112 HD11 LEU 112 9.482 0.921 -2.610 895 HD12 LEU 112 HD12 LEU 112 9.097 -0.685 -3.233 896 HD13 LEU 112 HD13 LEU 112 7.785 0.414 -2.760 897 HD21 LEU 112 HD21 LEU 112 10.738 1.033 -5.283 898 HD22 LEU 112 HD22 LEU 112 9.550 1.059 -6.590 899 HD23 LEU 112 HD23 LEU 112 9.896 -0.465 -5.755 900 H ALA 113 HN ALA 113 7.127 -2.231 -3.019 901 HA ALA 113 HA ALA 113 9.135 -4.132 -4.051 902 HB1 ALA 113 HB1 ALA 113 9.015 -3.575 -1.642 903 HB2 ALA 113 HB2 ALA 113 7.338 -4.180 -1.568 904 HB3 ALA 113 HB3 ALA 113 8.665 -5.301 -1.914 905 H TYR 114 HN TYR 114 5.543 -4.216 -3.552 906 HA TYR 114 HA TYR 114 5.206 -6.935 -4.033 907 HB2 TYR 114 HB2 TYR 114 3.398 -5.625 -3.218 908 HB3 TYR 114 HB3 TYR 114 3.432 -4.567 -4.622 909 HD1 TYR 114 HD1 TYR 114 2.955 -8.231 -3.832 910 HD2 TYR 114 HD2 TYR 114 1.865 -4.872 -6.322 911 HE1 TYR 114 HE1 TYR 114 1.206 -9.580 -4.884 912 HE2 TYR 114 HE2 TYR 114 -0.036 -6.157 -7.242 913 HH TYR 114 HH TYR 114 -0.651 -9.540 -6.241 914 H ARG 115 HN ARG 115 5.283 -4.291 -6.507 915 HA ARG 115 HA ARG 115 4.849 -5.985 -8.711 916 HB2 ARG 115 HB2 ARG 115 6.131 -4.219 -10.046 917 HB3 ARG 115 HB3 ARG 115 4.676 -3.728 -9.201 918 HG2 ARG 115 HG2 ARG 115 5.991 -2.692 -7.418 919 HG3 ARG 115 HG3 ARG 115 7.469 -3.388 -8.078 920 HD2 ARG 115 HD2 ARG 115 6.333 -1.783 -10.158 921 HD3 ARG 115 HD3 ARG 115 6.257 -0.847 -8.674 922 HE ARG 115 HE ARG 115 8.499 -0.580 -8.663 923 HH11 ARG 115 HH11 ARG 115 7.757 -3.061 -11.049 924 HH12 ARG 115 HH12 ARG 115 9.376 -3.236 -11.551 925 HH21 ARG 115 HH21 ARG 115 10.754 -0.948 -9.294 926 HH22 ARG 115 HH22 ARG 115 11.112 -2.151 -10.460 927 H ARG 116 HN ARG 116 7.932 -5.261 -7.021 928 HA ARG 116 HA ARG 116 9.655 -6.665 -8.877 929 HB2 ARG 116 HB2 ARG 116 9.918 -6.007 -5.908 930 HB3 ARG 116 HB3 ARG 116 11.171 -6.744 -6.863 931 HG2 ARG 116 HG2 ARG 116 10.048 -3.978 -7.450 932 HG3 ARG 116 HG3 ARG 116 11.483 -4.347 -6.481 933 HD2 ARG 116 HD2 ARG 116 12.330 -5.677 -8.498 934 HD3 ARG 116 HD3 ARG 116 11.101 -4.852 -9.426 935 HE ARG 116 HE ARG 116 12.551 -2.854 -8.018 936 HH11 ARG 116 HH11 ARG 116 13.243 -5.195 -10.683 937 HH12 ARG 116 HH12 ARG 116 14.893 -4.723 -10.752 938 HH21 ARG 116 HH21 ARG 116 14.853 -2.468 -8.138 939 HH22 ARG 116 HH22 ARG 116 15.765 -3.311 -9.348 940 H SER 117 HN SER 117 7.940 -7.583 -5.946 941 HA SER 117 HA SER 117 8.763 -10.243 -5.665 942 HB2 SER 117 HB2 SER 117 7.011 -8.484 -4.394 943 HB3 SER 117 HB3 SER 117 5.915 -9.734 -4.969 944 HG SER 117 HG SER 117 7.069 -11.262 -3.813 945 H GLN 118 HN GLN 118 6.534 -8.966 -8.076 946 HA GLN 118 HA GLN 118 5.214 -11.466 -8.670 947 HB2 GLN 118 HB2 GLN 118 5.620 -8.966 -10.358 948 HB3 GLN 118 HB3 GLN 118 4.545 -10.295 -10.776 949 HG2 GLN 118 HG2 GLN 118 3.185 -9.927 -8.779 950 HG3 GLN 118 HG3 GLN 118 4.273 -8.664 -8.220 951 HE21 GLN 118 HE21 GLN 118 1.341 -8.659 -9.036 952 HE22 GLN 118 HE22 GLN 118 1.199 -7.318 -10.163 953 H GLN 119 HN GLN 119 8.460 -10.544 -9.178 954 HA GLN 119 HA GLN 119 8.810 -12.266 -11.580 955 HB2 GLN 119 HB2 GLN 119 10.400 -9.901 -10.532 956 HB3 GLN 119 HB3 GLN 119 10.790 -10.821 -11.988 957 HG2 GLN 119 HG2 GLN 119 9.020 -9.957 -13.218 958 HG3 GLN 119 HG3 GLN 119 8.046 -9.562 -11.806 959 HE21 GLN 119 HE21 GLN 119 8.318 -7.617 -10.688 960 HE22 GLN 119 HE22 GLN 119 9.463 -6.402 -11.181 961 H ASP 120 HN ASP 120 8.767 -12.962 -8.638 962 HA ASP 120 HA ASP 120 11.400 -13.511 -7.677 963 HB2 ASP 120 HB2 ASP 120 9.412 -13.259 -6.249 964 HB3 ASP 120 HB3 ASP 120 8.674 -14.679 -6.967 Start of MODEL 20 1 H1 MET 1 HN MET 1 -5.098 -10.029 -9.263 2 HA MET 1 HA MET 1 -5.394 -10.005 -12.162 3 HB2 MET 1 HB2 MET 1 -6.308 -7.659 -11.896 4 HB3 MET 1 HB3 MET 1 -7.280 -8.934 -11.178 5 HG2 MET 1 HG2 MET 1 -6.144 -8.368 -8.946 6 HG3 MET 1 HG3 MET 1 -5.525 -6.918 -9.728 7 HE1 MET 1 HE1 MET 1 -8.625 -4.688 -10.147 8 HE2 MET 1 HE2 MET 1 -7.069 -4.564 -9.314 9 HE3 MET 1 HE3 MET 1 -7.148 -5.253 -10.955 10 H GLY 2 HN GLY 2 -2.968 -9.732 -10.151 11 HA2 GLY 2 HA2 GLY 2 -0.792 -8.849 -10.297 12 HA3 GLY 2 HA1 GLY 2 -1.052 -9.589 -11.894 13 H ILE 3 HN ILE 3 -1.799 -6.504 -10.195 14 HA ILE 3 HA ILE 3 -2.114 -5.119 -12.638 15 HB ILE 3 HB ILE 3 -1.636 -3.847 -9.933 16 HG12 ILE 3 HG12 ILE 3 -4.213 -5.146 -10.939 17 HG13 ILE 3 HG13 ILE 3 -3.253 -5.659 -9.539 18 HG21 ILE 3 HG21 ILE 3 -3.178 -2.107 -10.747 19 HG22 ILE 3 HG22 ILE 3 -1.932 -2.337 -11.925 20 HG23 ILE 3 HG23 ILE 3 -3.516 -3.057 -12.217 21 HD11 ILE 3 HD11 ILE 3 -5.052 -4.511 -8.663 22 HD12 ILE 3 HD12 ILE 3 -3.678 -3.397 -8.496 23 HD13 ILE 3 HD13 ILE 3 -4.901 -3.152 -9.763 24 H THR 4 HN THR 4 -0.947 -3.449 -13.511 25 HA THR 4 HA THR 4 1.973 -3.379 -13.302 26 HB THR 4 HB THR 4 -0.124 -1.876 -14.893 27 HG1 THR 4 HG1 THR 4 0.623 -3.133 -16.544 28 HG21 THR 4 HG21 THR 4 2.906 -1.552 -15.072 29 HG22 THR 4 HG22 THR 4 1.772 -0.319 -14.484 30 HG23 THR 4 HG23 THR 4 1.688 -0.837 -16.174 31 H ILE 5 HN ILE 5 3.043 -1.949 -12.020 32 HA ILE 5 HA ILE 5 1.476 0.121 -10.568 33 HB ILE 5 HB ILE 5 4.195 -1.146 -10.060 34 HG12 ILE 5 HG12 ILE 5 2.504 -2.743 -9.579 35 HG13 ILE 5 HG13 ILE 5 3.077 -2.119 -8.045 36 HG21 ILE 5 HG21 ILE 5 4.280 1.102 -9.222 37 HG22 ILE 5 HG22 ILE 5 2.730 0.924 -8.388 38 HG23 ILE 5 HG23 ILE 5 4.150 -0.006 -7.857 39 HD11 ILE 5 HD11 ILE 5 0.718 -2.372 -7.886 40 HD12 ILE 5 HD12 ILE 5 0.994 -0.616 -8.058 41 HD13 ILE 5 HD13 ILE 5 0.439 -1.578 -9.444 42 H THR 6 HN THR 6 2.205 2.256 -10.636 43 HA THR 6 HA THR 6 4.445 2.897 -12.496 44 HB THR 6 HB THR 6 3.067 4.980 -13.085 45 HG1 THR 6 HG1 THR 6 1.012 3.231 -12.168 46 HG21 THR 6 HG21 THR 6 3.534 3.061 -14.593 47 HG22 THR 6 HG22 THR 6 1.999 3.862 -14.907 48 HG23 THR 6 HG23 THR 6 2.025 2.300 -14.044 49 H ASP 7 HN ASP 7 5.874 4.326 -11.804 50 HA ASP 7 HA ASP 7 6.160 5.187 -9.191 51 HB2 ASP 7 HB2 ASP 7 7.299 6.338 -11.753 52 HB3 ASP 7 HB3 ASP 7 7.848 6.774 -10.140 53 H GLU 8 HN GLU 8 4.536 6.797 -11.942 54 HA GLU 8 HA GLU 8 4.069 9.302 -10.761 55 HB2 GLU 8 HB2 GLU 8 2.241 9.541 -12.342 56 HB3 GLU 8 HB3 GLU 8 3.643 8.791 -13.118 57 HG2 GLU 8 HG2 GLU 8 2.396 7.134 -13.864 58 HG3 GLU 8 HG3 GLU 8 2.027 6.659 -12.218 59 H LEU 9 HN LEU 9 2.303 6.261 -10.300 60 HA LEU 9 HA LEU 9 0.135 7.513 -8.853 61 HB2 LEU 9 HB2 LEU 9 0.929 4.764 -9.727 62 HB3 LEU 9 HB3 LEU 9 0.058 4.795 -8.223 63 HG LEU 9 HG LEU 9 -0.828 5.923 -10.898 64 HD11 LEU 9 HD11 LEU 9 -1.915 3.628 -9.231 65 HD12 LEU 9 HD12 LEU 9 -1.031 3.533 -10.788 66 HD13 LEU 9 HD13 LEU 9 -2.629 4.260 -10.739 67 HD21 LEU 9 HD21 LEU 9 -3.112 6.147 -9.455 68 HD22 LEU 9 HD22 LEU 9 -1.938 7.444 -9.592 69 HD23 LEU 9 HD23 LEU 9 -1.920 6.430 -8.155 70 H LEU 10 HN LEU 10 3.030 5.693 -8.036 71 HA LEU 10 HA LEU 10 2.722 5.545 -5.212 72 HB2 LEU 10 HB2 LEU 10 5.173 5.701 -7.002 73 HB3 LEU 10 HB3 LEU 10 5.287 5.482 -5.271 74 HG LEU 10 HG LEU 10 3.440 3.559 -6.647 75 HD11 LEU 10 HD11 LEU 10 6.433 3.549 -7.195 76 HD12 LEU 10 HD12 LEU 10 5.103 3.532 -8.345 77 HD13 LEU 10 HD13 LEU 10 5.384 2.123 -7.367 78 HD21 LEU 10 HD21 LEU 10 3.895 3.289 -4.291 79 HD22 LEU 10 HD22 LEU 10 5.661 3.299 -4.572 80 HD23 LEU 10 HD23 LEU 10 4.671 1.970 -5.163 81 H TRP 11 HN TRP 11 4.368 8.061 -7.221 82 HA TRP 11 HA TRP 11 5.108 9.668 -4.970 83 HB2 TRP 11 HB2 TRP 11 4.902 10.129 -7.942 84 HB3 TRP 11 HB3 TRP 11 5.174 11.482 -6.875 85 HD1 TRP 11 HD1 TRP 11 7.010 8.908 -8.715 86 HE1 TRP 11 HE1 TRP 11 9.492 8.956 -8.190 87 HE3 TRP 11 HE3 TRP 11 6.859 11.791 -4.520 88 HZ2 TRP 11 HZ2 TRP 11 11.171 9.787 -5.970 89 HZ3 TRP 11 HZ3 TRP 11 8.989 12.384 -3.318 90 HH2 TRP 11 HH2 TRP 11 11.115 11.305 -3.981 91 H ALA 12 HN ALA 12 2.083 9.637 -6.955 92 HA ALA 12 HA ALA 12 1.157 12.130 -6.048 93 HB1 ALA 12 HB1 ALA 12 0.282 11.053 -8.016 94 HB2 ALA 12 HB2 ALA 12 -0.396 9.723 -7.054 95 HB3 ALA 12 HB3 ALA 12 -1.034 11.373 -6.889 96 H ILE 13 HN ILE 13 0.920 8.956 -4.319 97 HA ILE 13 HA ILE 13 -0.874 9.928 -2.300 98 HB ILE 13 HB ILE 13 1.386 7.877 -2.029 99 HG12 ILE 13 HG12 ILE 13 -0.960 6.421 -1.940 100 HG13 ILE 13 HG13 ILE 13 -1.407 7.657 -3.098 101 HG21 ILE 13 HG21 ILE 13 -1.046 8.450 -0.317 102 HG22 ILE 13 HG22 ILE 13 0.099 7.114 -0.057 103 HG23 ILE 13 HG23 ILE 13 0.649 8.773 0.134 104 HD11 ILE 13 HD11 ILE 13 0.760 5.542 -3.233 105 HD12 ILE 13 HD12 ILE 13 -0.496 5.935 -4.443 106 HD13 ILE 13 HD13 ILE 13 0.902 7.004 -4.201 107 H LEU 14 HN LEU 14 2.675 9.862 -2.660 108 HA LEU 14 HA LEU 14 3.212 10.904 -0.072 109 HB2 LEU 14 HB2 LEU 14 4.988 10.933 -2.542 110 HB3 LEU 14 HB3 LEU 14 5.520 11.150 -0.881 111 HG LEU 14 HG LEU 14 4.155 8.606 -1.868 112 HD11 LEU 14 HD11 LEU 14 6.312 9.033 -3.078 113 HD12 LEU 14 HD12 LEU 14 6.303 7.572 -2.112 114 HD13 LEU 14 HD13 LEU 14 7.151 8.990 -1.509 115 HD21 LEU 14 HD21 LEU 14 5.794 9.197 0.639 116 HD22 LEU 14 HD22 LEU 14 5.179 7.601 0.150 117 HD23 LEU 14 HD23 LEU 14 4.032 8.877 0.552 118 H LYS 15 HN LYS 15 2.834 12.560 -3.210 119 HA LYS 15 HA LYS 15 3.494 15.178 -2.027 120 HB2 LYS 15 HB2 LYS 15 2.410 14.479 -4.784 121 HB3 LYS 15 HB3 LYS 15 3.068 16.034 -4.271 122 HG2 LYS 15 HG2 LYS 15 4.606 13.466 -4.734 123 HG3 LYS 15 HG3 LYS 15 4.732 15.011 -5.568 124 HD2 LYS 15 HD2 LYS 15 5.461 15.978 -3.248 125 HD3 LYS 15 HD3 LYS 15 5.644 14.294 -2.755 126 HE2 LYS 15 HE2 LYS 15 7.794 14.993 -3.444 127 HE3 LYS 15 HE3 LYS 15 7.190 13.969 -4.761 128 HZ1 LYS 15 HZ1 LYS 15 8.250 16.032 -5.492 129 HZ2 LYS 15 HZ2 LYS 15 7.111 16.917 -4.713 130 HZ3 LYS 15 HZ3 LYS 15 6.692 15.965 -6.005 131 H ASP 16 HN ASP 16 0.862 13.362 -1.548 132 HA ASP 16 HA ASP 16 -1.121 13.799 -0.628 133 HB2 ASP 16 HB2 ASP 16 0.498 15.718 0.324 134 HB3 ASP 16 HB3 ASP 16 -0.651 16.774 -0.470 135 H GLU 17 HN GLU 17 -0.895 13.819 -3.596 136 HA GLU 17 HA GLU 17 -2.900 15.769 -4.464 137 HB2 GLU 17 HB2 GLU 17 -1.134 15.724 -5.919 138 HB3 GLU 17 HB3 GLU 17 -0.771 14.013 -5.674 139 HG2 GLU 17 HG2 GLU 17 -2.537 13.299 -7.035 140 HG3 GLU 17 HG3 GLU 17 -3.280 14.908 -7.095 141 H LEU 18 HN LEU 18 -2.378 12.226 -4.042 142 HA LEU 18 HA LEU 18 -5.242 11.655 -4.486 143 HB2 LEU 18 HB2 LEU 18 -2.973 10.059 -3.288 144 HB3 LEU 18 HB3 LEU 18 -4.591 9.621 -2.846 145 HG LEU 18 HG LEU 18 -4.733 9.991 -5.616 146 HD11 LEU 18 HD11 LEU 18 -3.026 8.625 -6.545 147 HD12 LEU 18 HD12 LEU 18 -2.418 8.228 -4.923 148 HD13 LEU 18 HD13 LEU 18 -2.293 9.893 -5.542 149 HD21 LEU 18 HD21 LEU 18 -5.983 8.349 -4.190 150 HD22 LEU 18 HD22 LEU 18 -4.669 7.221 -4.655 151 HD23 LEU 18 HD23 LEU 18 -5.634 8.008 -5.862 152 H SER 19 HN SER 19 -6.342 10.734 -2.650 153 HA SER 19 HA SER 19 -6.316 12.639 -0.319 154 HB2 SER 19 HB2 SER 19 -8.691 10.961 -1.150 155 HB3 SER 19 HB3 SER 19 -8.633 12.278 0.015 156 HG SER 19 HG SER 19 -8.814 12.404 -2.755 157 H ASP 20 HN ASP 20 -7.521 11.330 1.711 158 HA ASP 20 HA ASP 20 -5.709 9.195 2.427 159 HB2 ASP 20 HB2 ASP 20 -7.319 9.066 4.447 160 HB3 ASP 20 HB3 ASP 20 -6.208 10.417 4.273 161 H ALA 21 HN ALA 21 -9.279 9.284 2.149 162 HA ALA 21 HA ALA 21 -9.660 6.483 1.990 163 HB1 ALA 21 HB1 ALA 21 -11.327 8.762 0.834 164 HB2 ALA 21 HB2 ALA 21 -11.896 7.116 1.117 165 HB3 ALA 21 HB3 ALA 21 -11.434 8.127 2.492 166 H GLU 22 HN GLU 22 -8.636 8.664 -0.492 167 HA GLU 22 HA GLU 22 -9.279 6.849 -2.724 168 HB2 GLU 22 HB2 GLU 22 -7.873 9.527 -2.545 169 HB3 GLU 22 HB3 GLU 22 -8.158 8.710 -4.057 170 HG2 GLU 22 HG2 GLU 22 -10.585 9.092 -2.310 171 HG3 GLU 22 HG3 GLU 22 -9.843 10.530 -2.974 172 H ALA 23 HN ALA 23 -6.247 8.129 -1.108 173 HA ALA 23 HA ALA 23 -4.427 6.807 -2.757 174 HB1 ALA 23 HB1 ALA 23 -2.899 6.788 -0.741 175 HB2 ALA 23 HB2 ALA 23 -3.583 8.360 -1.162 176 HB3 ALA 23 HB3 ALA 23 -4.243 7.425 0.217 177 H ASN 24 HN ASN 24 -6.446 5.678 -0.174 178 HA ASN 24 HA ASN 24 -5.291 3.193 0.648 179 HB2 ASN 24 HB2 ASN 24 -7.872 4.682 0.920 180 HB3 ASN 24 HB3 ASN 24 -8.032 2.945 0.930 181 HD21 ASN 24 HD21 ASN 24 -7.972 5.351 3.092 182 HD22 ASN 24 HD22 ASN 24 -7.379 4.400 4.432 183 H ALA 25 HN ALA 25 -7.728 4.040 -1.841 184 HA ALA 25 HA ALA 25 -8.529 1.482 -2.595 185 HB1 ALA 25 HB1 ALA 25 -8.151 3.890 -4.417 186 HB2 ALA 25 HB2 ALA 25 -9.183 2.490 -4.722 187 HB3 ALA 25 HB3 ALA 25 -9.564 3.604 -3.384 188 H LEU 26 HN LEU 26 -5.764 3.384 -3.884 189 HA LEU 26 HA LEU 26 -4.963 1.618 -5.910 190 HB2 LEU 26 HB2 LEU 26 -3.293 3.478 -4.198 191 HB3 LEU 26 HB3 LEU 26 -2.784 2.760 -5.713 192 HG LEU 26 HG LEU 26 -5.073 4.746 -5.376 193 HD11 LEU 26 HD11 LEU 26 -3.503 6.258 -6.543 194 HD12 LEU 26 HD12 LEU 26 -2.248 4.992 -6.492 195 HD13 LEU 26 HD13 LEU 26 -2.859 5.706 -4.989 196 HD21 LEU 26 HD21 LEU 26 -4.994 4.878 -7.875 197 HD22 LEU 26 HD22 LEU 26 -5.570 3.319 -7.292 198 HD23 LEU 26 HD23 LEU 26 -3.901 3.474 -7.898 199 H VAL 27 HN VAL 27 -4.513 1.253 -2.440 200 HA VAL 27 HA VAL 27 -2.450 -0.830 -2.759 201 HB VAL 27 HB VAL 27 -4.110 -0.095 -0.298 202 HG11 VAL 27 HG11 VAL 27 -3.175 -2.340 -0.152 203 HG12 VAL 27 HG12 VAL 27 -1.592 -1.757 -0.702 204 HG13 VAL 27 HG13 VAL 27 -2.221 -1.266 0.874 205 HG21 VAL 27 HG21 VAL 27 -1.302 0.818 -1.064 206 HG22 VAL 27 HG22 VAL 27 -2.757 1.846 -0.941 207 HG23 VAL 27 HG23 VAL 27 -2.113 1.073 0.505 208 H TRP 28 HN TRP 28 -5.927 -0.517 -1.866 209 HA TRP 28 HA TRP 28 -6.466 -3.214 -1.421 210 HB2 TRP 28 HB2 TRP 28 -8.319 -1.053 -2.469 211 HB3 TRP 28 HB3 TRP 28 -8.806 -2.565 -1.742 212 HD1 TRP 28 HD1 TRP 28 -6.330 -2.067 0.606 213 HE1 TRP 28 HE1 TRP 28 -6.887 -0.531 2.550 214 HE3 TRP 28 HE3 TRP 28 -10.394 0.355 -1.384 215 HZ2 TRP 28 HZ2 TRP 28 -8.962 1.281 3.284 216 HZ3 TRP 28 HZ3 TRP 28 -11.615 2.025 -0.027 217 HH2 TRP 28 HH2 TRP 28 -10.949 2.488 2.311 218 H GLN 29 HN GLN 29 -6.650 -1.388 -4.496 219 HA GLN 29 HA GLN 29 -7.629 -3.442 -6.115 220 HB2 GLN 29 HB2 GLN 29 -6.444 -2.315 -8.010 221 HB3 GLN 29 HB3 GLN 29 -7.519 -1.318 -7.047 222 HG2 GLN 29 HG2 GLN 29 -5.784 -0.172 -6.119 223 HG3 GLN 29 HG3 GLN 29 -4.549 -1.331 -6.527 224 HE21 GLN 29 HE21 GLN 29 -6.886 0.906 -8.152 225 HE22 GLN 29 HE22 GLN 29 -5.807 1.290 -9.460 226 H ALA 30 HN ALA 30 -4.163 -2.806 -5.296 227 HA ALA 30 HA ALA 30 -3.191 -5.031 -6.847 228 HB1 ALA 30 HB1 ALA 30 -1.057 -4.582 -5.677 229 HB2 ALA 30 HB2 ALA 30 -1.780 -3.079 -6.292 230 HB3 ALA 30 HB3 ALA 30 -1.899 -3.483 -4.561 231 H LEU 31 HN LEU 31 -4.207 -4.656 -3.446 232 HA LEU 31 HA LEU 31 -3.283 -7.215 -2.532 233 HB2 LEU 31 HB2 LEU 31 -5.313 -5.223 -1.582 234 HB3 LEU 31 HB3 LEU 31 -5.367 -6.845 -0.922 235 HG LEU 31 HG LEU 31 -2.856 -5.148 -0.908 236 HD11 LEU 31 HD11 LEU 31 -4.908 -4.295 0.501 237 HD12 LEU 31 HD12 LEU 31 -3.311 -4.391 1.241 238 HD13 LEU 31 HD13 LEU 31 -4.481 -5.656 1.578 239 HD21 LEU 31 HD21 LEU 31 -3.642 -7.754 0.488 240 HD22 LEU 31 HD22 LEU 31 -2.220 -6.807 0.934 241 HD23 LEU 31 HD23 LEU 31 -2.313 -7.526 -0.675 242 H GLY 32 HN GLY 32 -6.200 -6.218 -4.308 243 HA2 GLY 32 HA2 GLY 32 -6.979 -7.816 -5.963 244 HA3 GLY 32 HA1 GLY 32 -6.741 -9.109 -4.798 245 H TYR 33 HN TYR 33 -8.090 -6.281 -3.314 246 HA TYR 33 HA TYR 33 -10.360 -7.895 -2.604 247 HB2 TYR 33 HB2 TYR 33 -9.590 -5.045 -1.965 248 HB3 TYR 33 HB3 TYR 33 -11.083 -5.769 -1.410 249 HD1 TYR 33 HD2 TYR 33 -11.035 -7.818 0.146 250 HD2 TYR 33 HD1 TYR 33 -7.598 -5.365 -0.750 251 HE1 TYR 33 HE2 TYR 33 -10.002 -8.522 2.285 252 HE2 TYR 33 HE1 TYR 33 -6.524 -6.137 1.348 253 HH TYR 33 HH TYR 33 -7.624 -8.660 3.367 254 H VAL 34 HN VAL 34 -9.982 -5.079 -4.739 255 HA VAL 34 HA VAL 34 -11.563 -3.772 -5.802 256 HB VAL 34 HB VAL 34 -10.582 -5.094 -7.399 257 HG11 VAL 34 HG11 VAL 34 -12.641 -7.283 -6.964 258 HG12 VAL 34 HG12 VAL 34 -11.400 -7.239 -8.229 259 HG13 VAL 34 HG13 VAL 34 -10.924 -7.386 -6.534 260 HG21 VAL 34 HG21 VAL 34 -12.473 -3.645 -8.012 261 HG22 VAL 34 HG22 VAL 34 -12.226 -5.018 -9.139 262 HG23 VAL 34 HG23 VAL 34 -13.543 -5.051 -7.953 263 H TRP 35 HN TRP 35 -13.218 -2.790 -4.850 264 HA TRP 35 HA TRP 35 -15.386 -3.963 -3.538 265 HB2 TRP 35 HB2 TRP 35 -14.840 -1.668 -3.324 266 HB3 TRP 35 HB3 TRP 35 -15.133 -1.333 -5.019 267 HD1 TRP 35 HD1 TRP 35 -17.483 -0.999 -5.887 268 HE1 TRP 35 HE1 TRP 35 -19.787 -0.676 -4.862 269 HE3 TRP 35 HE3 TRP 35 -16.421 -2.509 -1.115 270 HZ2 TRP 35 HZ2 TRP 35 -21.059 -1.118 -2.271 271 HZ3 TRP 35 HZ3 TRP 35 -18.225 -2.619 0.595 272 HH2 TRP 35 HH2 TRP 35 -20.548 -1.905 0.000 273 H ASP 36 HN ASP 36 -16.825 -5.335 -4.246 274 HA ASP 36 HA ASP 36 -17.598 -5.459 -7.074 275 HB2 ASP 36 HB2 ASP 36 -16.970 -7.471 -5.505 276 HB3 ASP 36 HB3 ASP 36 -18.588 -7.311 -4.879 277 H GLU 37 HN GLU 37 -18.814 -3.551 -7.245 278 HA GLU 37 HA GLU 37 -20.716 -2.633 -5.408 279 HB2 GLU 37 HB2 GLU 37 -19.844 -1.314 -7.268 280 HB3 GLU 37 HB3 GLU 37 -20.609 -2.402 -8.432 281 HG2 GLU 37 HG2 GLU 37 -22.863 -1.709 -7.546 282 HG3 GLU 37 HG3 GLU 37 -22.052 -0.595 -6.443 283 H ALA 38 HN ALA 38 -21.087 -5.176 -7.810 284 HA ALA 38 HA ALA 38 -23.979 -5.206 -7.824 285 HB1 ALA 38 HB1 ALA 38 -23.732 -7.309 -9.040 286 HB2 ALA 38 HB2 ALA 38 -22.542 -6.146 -9.659 287 HB3 ALA 38 HB3 ALA 38 -22.045 -7.442 -8.540 288 H GLN 39 HN GLN 39 -21.563 -6.430 -5.661 289 HA GLN 39 HA GLN 39 -23.568 -8.077 -4.196 290 HB2 GLN 39 HB2 GLN 39 -20.554 -8.311 -4.393 291 HB3 GLN 39 HB3 GLN 39 -21.559 -9.279 -3.313 292 HG2 GLN 39 HG2 GLN 39 -22.738 -10.306 -5.107 293 HG3 GLN 39 HG3 GLN 39 -22.066 -9.196 -6.272 294 HE21 GLN 39 HE21 GLN 39 -20.181 -9.633 -7.297 295 HE22 GLN 39 HE22 GLN 39 -19.325 -11.158 -7.111 296 H SER 40 HN SER 40 -21.750 -5.219 -4.181 297 HA SER 40 HA SER 40 -21.153 -3.647 -2.796 298 HB2 SER 40 HB2 SER 40 -23.410 -3.282 -2.577 299 HB3 SER 40 HB3 SER 40 -23.670 -4.609 -1.436 300 HG SER 40 HG SER 40 -22.227 -3.285 -0.046 301 H CYS 41 HN CYS 41 -19.677 -5.959 -2.659 302 HA CYS 41 HA CYS 41 -18.593 -5.608 0.063 303 HB2 CYS 41 HB2 CYS 41 -19.147 -8.400 -1.035 304 HB3 CYS 41 HB3 CYS 41 -18.244 -8.054 0.434 305 HG CYS 41 HG CYS 41 -20.743 -9.031 0.850 306 H TRP 42 HN TRP 42 -16.448 -6.209 0.280 307 HA TRP 42 HA TRP 42 -14.725 -5.896 -1.995 308 HB2 TRP 42 HB2 TRP 42 -14.182 -6.943 0.816 309 HB3 TRP 42 HB3 TRP 42 -12.995 -6.325 -0.297 310 HD1 TRP 42 HD1 TRP 42 -15.383 -5.153 2.441 311 HE1 TRP 42 HE1 TRP 42 -15.659 -2.679 2.471 312 HE3 TRP 42 HE3 TRP 42 -12.882 -4.010 -1.906 313 HZ2 TRP 42 HZ2 TRP 42 -14.493 -0.372 1.077 314 HZ3 TRP 42 HZ3 TRP 42 -12.383 -1.631 -2.456 315 HH2 TRP 42 HH2 TRP 42 -13.183 0.185 -0.970 316 H LYS 43 HN LYS 43 -14.116 -7.601 -3.468 317 HA LYS 43 HA LYS 43 -14.920 -10.259 -3.227 318 HB2 LYS 43 HB2 LYS 43 -13.896 -8.331 -5.101 319 HB3 LYS 43 HB3 LYS 43 -12.572 -9.489 -4.870 320 HG2 LYS 43 HG2 LYS 43 -14.244 -11.243 -5.171 321 HG3 LYS 43 HG3 LYS 43 -15.473 -10.069 -5.603 322 HD2 LYS 43 HD2 LYS 43 -12.893 -9.862 -7.090 323 HD3 LYS 43 HD3 LYS 43 -13.887 -11.293 -7.466 324 HE2 LYS 43 HE2 LYS 43 -15.561 -8.968 -7.387 325 HE3 LYS 43 HE3 LYS 43 -14.110 -8.510 -8.284 326 HZ1 LYS 43 HZ1 LYS 43 -15.822 -9.387 -9.701 327 HZ2 LYS 43 HZ2 LYS 43 -15.885 -10.796 -8.900 328 HZ3 LYS 43 HZ3 LYS 43 -14.517 -10.357 -9.771 329 H THR 44 HN THR 44 -13.487 -12.030 -2.690 330 HA THR 44 HA THR 44 -10.881 -11.289 -1.432 331 HB THR 44 HB THR 44 -11.451 -13.037 0.274 332 HG1 THR 44 HG1 THR 44 -13.144 -14.152 -0.771 333 HG21 THR 44 HG21 THR 44 -12.839 -11.625 1.608 334 HG22 THR 44 HG22 THR 44 -13.414 -10.714 0.200 335 HG23 THR 44 HG23 THR 44 -11.719 -10.601 0.697 336 H ASP 45 HN ASP 45 -12.100 -12.864 -4.065 337 HA ASP 45 HA ASP 45 -10.776 -15.435 -3.827 338 HB2 ASP 45 HB2 ASP 45 -12.247 -13.924 -5.981 339 HB3 ASP 45 HB3 ASP 45 -11.257 -15.304 -6.417 340 H LEU 46 HN LEU 46 -10.037 -12.287 -5.329 341 HA LEU 46 HA LEU 46 -7.672 -13.368 -6.621 342 HB2 LEU 46 HB2 LEU 46 -8.464 -10.449 -6.416 343 HB3 LEU 46 HB3 LEU 46 -7.326 -11.196 -7.521 344 HG LEU 46 HG LEU 46 -9.249 -12.415 -8.619 345 HD11 LEU 46 HD11 LEU 46 -11.084 -12.294 -7.089 346 HD12 LEU 46 HD12 LEU 46 -11.472 -11.171 -8.370 347 HD13 LEU 46 HD13 LEU 46 -10.830 -10.548 -6.821 348 HD21 LEU 46 HD21 LEU 46 -8.182 -10.374 -9.528 349 HD22 LEU 46 HD22 LEU 46 -9.258 -9.357 -8.542 350 HD23 LEU 46 HD23 LEU 46 -9.926 -10.354 -9.848 351 H VAL 47 HN VAL 47 -8.171 -12.877 -3.524 352 HA VAL 47 HA VAL 47 -5.748 -11.295 -2.861 353 HB VAL 47 HB VAL 47 -8.074 -12.155 -1.079 354 HG11 VAL 47 HG11 VAL 47 -5.825 -10.135 -0.632 355 HG12 VAL 47 HG12 VAL 47 -7.209 -10.398 0.458 356 HG13 VAL 47 HG13 VAL 47 -6.047 -11.690 0.188 357 HG21 VAL 47 HG21 VAL 47 -7.595 -9.417 -2.326 358 HG22 VAL 47 HG22 VAL 47 -8.919 -10.519 -2.764 359 HG23 VAL 47 HG23 VAL 47 -8.859 -9.815 -1.155 360 H ALA 48 HN ALA 48 -4.207 -12.302 -1.401 361 HA ALA 48 HA ALA 48 -3.909 -15.166 -1.629 362 HB1 ALA 48 HB1 ALA 48 -2.007 -13.564 -1.293 363 HB2 ALA 48 HB2 ALA 48 -2.638 -13.200 0.329 364 HB3 ALA 48 HB3 ALA 48 -2.054 -14.831 -0.057 365 HA PRO 49 HA PRO 49 -6.612 -16.378 1.608 366 HB2 PRO 49 HB2 PRO 49 -5.339 -18.454 2.876 367 HB3 PRO 49 HB3 PRO 49 -6.149 -18.566 1.288 368 HG2 PRO 49 HG2 PRO 49 -3.212 -18.235 1.877 369 HG3 PRO 49 HG3 PRO 49 -3.992 -19.247 0.618 370 HD2 PRO 49 HD2 PRO 49 -2.867 -16.812 0.101 371 HD3 PRO 49 HD3 PRO 49 -4.267 -17.419 -0.814 372 H GLU 50 HN GLU 50 -3.178 -15.901 2.678 373 HA GLU 50 HA GLU 50 -3.852 -15.367 5.369 374 HB2 GLU 50 HB2 GLU 50 -1.644 -14.516 5.621 375 HB3 GLU 50 HB3 GLU 50 -1.626 -15.929 4.576 376 HG2 GLU 50 HG2 GLU 50 -1.495 -14.344 2.578 377 HG3 GLU 50 HG3 GLU 50 -1.284 -13.033 3.728 378 H TRP 51 HN TRP 51 -4.455 -13.332 2.579 379 HA TRP 51 HA TRP 51 -4.621 -10.921 4.321 380 HB2 TRP 51 HB2 TRP 51 -4.286 -11.351 1.372 381 HB3 TRP 51 HB3 TRP 51 -5.075 -9.877 1.950 382 HD1 TRP 51 HD1 TRP 51 -1.779 -11.417 1.461 383 HE1 TRP 51 HE1 TRP 51 0.113 -9.887 2.325 384 HE3 TRP 51 HE3 TRP 51 -4.654 -7.951 3.861 385 HZ2 TRP 51 HZ2 TRP 51 0.308 -7.319 3.676 386 HZ3 TRP 51 HZ3 TRP 51 -3.623 -5.939 4.855 387 HH2 TRP 51 HH2 TRP 51 -1.178 -5.609 4.784 388 H ARG 52 HN ARG 52 -6.698 -13.357 3.013 389 HA ARG 52 HA ARG 52 -9.032 -11.574 3.586 390 HB2 ARG 52 HB2 ARG 52 -10.376 -13.022 2.397 391 HB3 ARG 52 HB3 ARG 52 -8.956 -12.713 1.402 392 HG2 ARG 52 HG2 ARG 52 -8.074 -14.983 2.440 393 HG3 ARG 52 HG3 ARG 52 -9.781 -15.235 2.867 394 HD2 ARG 52 HD2 ARG 52 -10.262 -14.655 0.394 395 HD3 ARG 52 HD3 ARG 52 -8.524 -14.867 0.116 396 HE ARG 52 HE ARG 52 -9.732 -17.089 1.524 397 HH11 ARG 52 HH11 ARG 52 -9.632 -15.616 -1.691 398 HH12 ARG 52 HH12 ARG 52 -10.049 -17.085 -2.528 399 HH21 ARG 52 HH21 ARG 52 -10.515 -18.863 0.543 400 HH22 ARG 52 HH22 ARG 52 -10.839 -18.948 -1.168 401 H GLN 53 HN GLN 53 -7.020 -13.964 4.929 402 HA GLN 53 HA GLN 53 -8.383 -15.888 5.879 403 HB2 GLN 53 HB2 GLN 53 -5.846 -14.825 6.409 404 HB3 GLN 53 HB3 GLN 53 -6.538 -15.005 8.013 405 HG2 GLN 53 HG2 GLN 53 -7.034 -17.366 7.560 406 HG3 GLN 53 HG3 GLN 53 -6.465 -17.195 5.892 407 HE21 GLN 53 HE21 GLN 53 -4.633 -18.606 5.916 408 HE22 GLN 53 HE22 GLN 53 -3.289 -18.351 7.018 409 H ASP 54 HN ASP 54 -8.072 -12.979 7.872 410 HA ASP 54 HA ASP 54 -10.634 -13.586 9.230 411 HB2 ASP 54 HB2 ASP 54 -7.922 -13.124 10.456 412 HB3 ASP 54 HB3 ASP 54 -9.323 -12.471 11.287 413 H TYR 55 HN TYR 55 -9.734 -11.887 6.965 414 HA TYR 55 HA TYR 55 -9.969 -9.108 7.969 415 HB2 TYR 55 HB2 TYR 55 -8.580 -10.400 5.655 416 HB3 TYR 55 HB3 TYR 55 -9.199 -8.775 5.429 417 HD1 TYR 55 HD2 TYR 55 -7.276 -10.555 8.170 418 HD2 TYR 55 HD1 TYR 55 -7.712 -7.028 5.676 419 HE1 TYR 55 HE2 TYR 55 -5.413 -9.503 9.323 420 HE2 TYR 55 HE1 TYR 55 -5.824 -6.006 6.784 421 HH TYR 55 HH TYR 55 -4.915 -6.092 8.943 422 HA PRO 56 HA PRO 56 -13.975 -9.847 5.778 423 HB2 PRO 56 HB2 PRO 56 -15.714 -8.773 7.601 424 HB3 PRO 56 HB3 PRO 56 -15.013 -10.403 7.838 425 HG2 PRO 56 HG2 PRO 56 -13.977 -7.778 8.958 426 HG3 PRO 56 HG3 PRO 56 -14.383 -9.272 9.871 427 HD2 PRO 56 HD2 PRO 56 -11.838 -8.771 9.078 428 HD3 PRO 56 HD3 PRO 56 -12.523 -10.427 8.963 429 H GLU 57 HN GLU 57 -12.088 -7.122 6.640 430 HA GLU 57 HA GLU 57 -13.648 -5.411 4.797 431 HB2 GLU 57 HB2 GLU 57 -12.901 -4.784 7.692 432 HB3 GLU 57 HB3 GLU 57 -13.202 -3.508 6.512 433 HG2 GLU 57 HG2 GLU 57 -15.433 -4.510 5.996 434 HG3 GLU 57 HG3 GLU 57 -15.177 -5.679 7.306 435 HA PRO 58 HA PRO 58 -9.533 -4.223 3.548 436 HB2 PRO 58 HB2 PRO 58 -9.688 -1.441 3.381 437 HB3 PRO 58 HB3 PRO 58 -10.160 -2.587 2.099 438 HG2 PRO 58 HG2 PRO 58 -11.904 -1.178 4.136 439 HG3 PRO 58 HG3 PRO 58 -12.231 -1.501 2.402 440 HD2 PRO 58 HD2 PRO 58 -13.321 -3.037 4.360 441 HD3 PRO 58 HD3 PRO 58 -12.761 -3.756 2.822 442 HA PRO 59 HA PRO 59 -7.642 -2.621 7.318 443 HB2 PRO 59 HB2 PRO 59 -5.174 -1.875 6.319 444 HB3 PRO 59 HB3 PRO 59 -5.676 -3.568 6.661 445 HG2 PRO 59 HG2 PRO 59 -5.610 -2.137 4.003 446 HG3 PRO 59 HG3 PRO 59 -5.050 -3.790 4.402 447 HD2 PRO 59 HD2 PRO 59 -7.514 -3.217 3.296 448 HD3 PRO 59 HD3 PRO 59 -7.229 -4.631 4.363 449 H ASP 60 HN ASP 60 -6.789 -0.403 8.001 450 HA ASP 60 HA ASP 60 -7.233 1.838 6.056 451 HB2 ASP 60 HB2 ASP 60 -9.110 1.775 7.643 452 HB3 ASP 60 HB3 ASP 60 -7.963 1.761 8.987 453 H PHE 61 HN PHE 61 -5.107 2.185 5.577 454 HA PHE 61 HA PHE 61 -2.989 2.096 7.595 455 HB2 PHE 61 HB2 PHE 61 -2.924 3.206 4.775 456 HB3 PHE 61 HB3 PHE 61 -1.526 2.862 5.785 457 HD1 PHE 61 HD1 PHE 61 -1.098 0.429 6.517 458 HD2 PHE 61 HD2 PHE 61 -3.783 1.510 3.327 459 HE1 PHE 61 HE1 PHE 61 -0.978 -1.880 5.621 460 HE2 PHE 61 HE2 PHE 61 -3.724 -0.793 2.483 461 HZ PHE 61 HZ PHE 61 -2.304 -2.506 3.593 462 H ILE 62 HN ILE 62 -5.391 4.414 7.191 463 HA ILE 62 HA ILE 62 -3.606 6.744 7.452 464 HB ILE 62 HB ILE 62 -6.633 6.734 7.291 465 HG12 ILE 62 HG12 ILE 62 -5.982 5.561 5.341 466 HG13 ILE 62 HG13 ILE 62 -6.519 7.143 4.899 467 HG21 ILE 62 HG21 ILE 62 -5.617 8.790 8.089 468 HG22 ILE 62 HG22 ILE 62 -4.585 8.874 6.644 469 HG23 ILE 62 HG23 ILE 62 -6.355 9.003 6.500 470 HD11 ILE 62 HD11 ILE 62 -4.615 6.616 3.538 471 HD12 ILE 62 HD12 ILE 62 -4.077 7.824 4.719 472 HD13 ILE 62 HD13 ILE 62 -3.648 6.119 4.945 473 H ALA 63 HN ALA 63 -6.539 5.334 9.025 474 HA ALA 63 HA ALA 63 -5.956 6.853 11.484 475 HB1 ALA 63 HB1 ALA 63 -7.961 5.799 12.375 476 HB2 ALA 63 HB2 ALA 63 -8.298 6.502 10.784 477 HB3 ALA 63 HB3 ALA 63 -8.087 4.740 10.966 478 H SER 64 HN SER 64 -5.581 3.434 10.443 479 HA SER 64 HA SER 64 -4.980 2.685 13.261 480 HB2 SER 64 HB2 SER 64 -7.007 1.772 11.931 481 HB3 SER 64 HB3 SER 64 -5.796 0.815 11.042 482 HG SER 64 HG SER 64 -6.657 0.680 13.715 483 H ARG 65 HN ARG 65 -3.644 0.388 13.106 484 HA ARG 65 HA ARG 65 -1.884 0.407 10.887 485 HB2 ARG 65 HB2 ARG 65 0.309 0.514 12.043 486 HB3 ARG 65 HB3 ARG 65 -0.603 1.994 12.067 487 HG2 ARG 65 HG2 ARG 65 0.279 1.949 14.152 488 HG3 ARG 65 HG3 ARG 65 -1.341 1.360 14.481 489 HD2 ARG 65 HD2 ARG 65 -0.466 -0.963 14.678 490 HD3 ARG 65 HD3 ARG 65 1.094 -0.427 14.073 491 HE ARG 65 HE ARG 65 1.687 0.335 16.103 492 HH11 ARG 65 HH11 ARG 65 -1.842 -0.383 16.304 493 HH12 ARG 65 HH12 ARG 65 -1.757 -0.534 18.034 494 HH21 ARG 65 HH21 ARG 65 1.541 0.619 18.364 495 HH22 ARG 65 HH22 ARG 65 0.099 0.071 19.187 496 HA PRO 66 HA PRO 66 -2.150 -3.851 12.920 497 HB2 PRO 66 HB2 PRO 66 -4.236 -5.031 11.522 498 HB3 PRO 66 HB3 PRO 66 -4.449 -4.166 13.071 499 HG2 PRO 66 HG2 PRO 66 -4.819 -3.061 10.268 500 HG3 PRO 66 HG3 PRO 66 -5.946 -2.939 11.644 501 HD2 PRO 66 HD2 PRO 66 -4.296 -0.912 11.067 502 HD3 PRO 66 HD3 PRO 66 -4.513 -1.431 12.760 503 H ALA 67 HN ALA 67 -3.177 -3.198 9.555 504 HA ALA 67 HA ALA 67 -1.899 -5.432 8.390 505 HB1 ALA 67 HB1 ALA 67 -2.785 -2.780 7.172 506 HB2 ALA 67 HB2 ALA 67 -2.271 -4.195 6.239 507 HB3 ALA 67 HB3 ALA 67 -3.699 -4.307 7.272 508 H THR 68 HN THR 68 -0.549 -2.395 9.380 509 HA THR 68 HA THR 68 1.728 -2.175 7.771 510 HB THR 68 HB THR 68 1.413 -1.576 10.749 511 HG1 THR 68 HG1 THR 68 -0.182 -0.630 9.309 512 HG21 THR 68 HG21 THR 68 3.697 -1.245 10.289 513 HG22 THR 68 HG22 THR 68 2.997 0.360 10.053 514 HG23 THR 68 HG23 THR 68 3.394 -0.641 8.644 515 H VAL 69 HN VAL 69 1.148 -4.510 10.414 516 HA VAL 69 HA VAL 69 3.851 -5.576 10.450 517 HB VAL 69 HB VAL 69 1.156 -6.772 11.255 518 HG11 VAL 69 HG11 VAL 69 2.420 -8.328 12.648 519 HG12 VAL 69 HG12 VAL 69 2.919 -8.517 10.960 520 HG13 VAL 69 HG13 VAL 69 3.956 -7.619 12.092 521 HG21 VAL 69 HG21 VAL 69 1.510 -4.733 12.563 522 HG22 VAL 69 HG22 VAL 69 1.844 -6.129 13.584 523 HG23 VAL 69 HG23 VAL 69 3.191 -5.202 12.901 524 H LYS 70 HN LYS 70 0.808 -6.332 8.786 525 HA LYS 70 HA LYS 70 1.659 -8.838 7.687 526 HB2 LYS 70 HB2 LYS 70 -0.675 -7.676 8.299 527 HB3 LYS 70 HB3 LYS 70 -0.642 -7.124 6.642 528 HG2 LYS 70 HG2 LYS 70 -0.734 -9.415 5.829 529 HG3 LYS 70 HG3 LYS 70 -0.274 -10.017 7.431 530 HD2 LYS 70 HD2 LYS 70 -2.467 -8.989 8.328 531 HD3 LYS 70 HD3 LYS 70 -2.929 -8.731 6.646 532 HE2 LYS 70 HE2 LYS 70 -3.946 -10.750 7.498 533 HE3 LYS 70 HE3 LYS 70 -2.785 -11.164 6.242 534 HZ1 LYS 70 HZ1 LYS 70 -1.860 -11.232 9.011 535 HZ2 LYS 70 HZ2 LYS 70 -1.453 -12.198 7.730 536 HZ3 LYS 70 HZ3 LYS 70 -2.896 -12.403 8.525 537 H LEU 71 HN LEU 71 1.684 -5.516 6.547 538 HA LEU 71 HA LEU 71 2.583 -5.808 3.863 539 HB2 LEU 71 HB2 LEU 71 2.654 -3.728 6.007 540 HB3 LEU 71 HB3 LEU 71 3.956 -3.606 4.831 541 HG LEU 71 HG LEU 71 2.378 -3.468 2.991 542 HD11 LEU 71 HD11 LEU 71 -0.065 -3.160 3.508 543 HD12 LEU 71 HD12 LEU 71 0.257 -3.754 5.133 544 HD13 LEU 71 HD13 LEU 71 0.552 -4.788 3.704 545 HD21 LEU 71 HD21 LEU 71 1.743 -1.524 5.255 546 HD22 LEU 71 HD22 LEU 71 1.407 -1.265 3.530 547 HD23 LEU 71 HD23 LEU 71 3.082 -1.388 4.080 548 H THR 72 HN THR 72 4.446 -5.725 6.988 549 HA THR 72 HA THR 72 6.998 -5.669 5.908 550 HB THR 72 HB THR 72 6.060 -7.127 8.409 551 HG1 THR 72 HG1 THR 72 6.135 -5.206 9.423 552 HG21 THR 72 HG21 THR 72 8.692 -5.871 7.628 553 HG22 THR 72 HG22 THR 72 8.309 -7.571 8.050 554 HG23 THR 72 HG23 THR 72 8.257 -6.322 9.305 555 H ARG 73 HN ARG 73 4.875 -8.376 6.546 556 HA ARG 73 HA ARG 73 6.592 -10.492 6.066 557 HB2 ARG 73 HB2 ARG 73 3.712 -10.447 5.097 558 HB3 ARG 73 HB3 ARG 73 4.674 -11.860 5.474 559 HG2 ARG 73 HG2 ARG 73 3.737 -9.729 7.454 560 HG3 ARG 73 HG3 ARG 73 3.051 -11.318 7.311 561 HD2 ARG 73 HD2 ARG 73 5.836 -10.612 8.263 562 HD3 ARG 73 HD3 ARG 73 4.482 -11.209 9.214 563 HE ARG 73 HE ARG 73 4.946 -13.137 7.209 564 HH11 ARG 73 HH11 ARG 73 6.672 -11.830 10.063 565 HH12 ARG 73 HH12 ARG 73 7.731 -13.171 10.217 566 HH21 ARG 73 HH21 ARG 73 6.354 -14.996 7.484 567 HH22 ARG 73 HH22 ARG 73 7.405 -15.098 8.854 568 H SER 74 HN SER 74 4.834 -8.570 3.599 569 HA SER 74 HA SER 74 6.030 -9.979 1.338 570 HB2 SER 74 HB2 SER 74 4.142 -7.612 1.689 571 HB3 SER 74 HB3 SER 74 4.784 -8.108 0.099 572 HG SER 74 HG SER 74 3.414 -9.621 0.070 573 H ILE 75 HN ILE 75 7.404 -7.769 3.475 574 HA ILE 75 HA ILE 75 9.005 -6.454 1.341 575 HB ILE 75 HB ILE 75 8.403 -5.475 4.131 576 HG12 ILE 75 HG12 ILE 75 7.630 -4.094 1.520 577 HG13 ILE 75 HG13 ILE 75 6.545 -5.273 2.239 578 HG21 ILE 75 HG21 ILE 75 10.681 -4.886 3.223 579 HG22 ILE 75 HG22 ILE 75 9.910 -4.103 1.846 580 HG23 ILE 75 HG23 ILE 75 9.671 -3.474 3.495 581 HD11 ILE 75 HD11 ILE 75 6.413 -3.999 4.300 582 HD12 ILE 75 HD12 ILE 75 7.530 -2.773 3.661 583 HD13 ILE 75 HD13 ILE 75 5.942 -3.004 2.912 584 HA PRO 76 HA PRO 76 11.524 -9.711 3.412 585 HB2 PRO 76 HB2 PRO 76 12.942 -10.601 1.272 586 HB3 PRO 76 HB3 PRO 76 11.182 -10.932 1.385 587 HG2 PRO 76 HG2 PRO 76 12.402 -8.630 -0.085 588 HG3 PRO 76 HG3 PRO 76 11.327 -9.929 -0.728 589 HD2 PRO 76 HD2 PRO 76 10.196 -7.644 0.153 590 HD3 PRO 76 HD3 PRO 76 9.498 -9.225 0.642 591 H ALA 77 HN ALA 77 14.070 -9.900 3.426 592 HA ALA 77 HA ALA 77 14.988 -7.396 4.458 593 HB1 ALA 77 HB1 ALA 77 15.731 -9.621 5.274 594 HB2 ALA 77 HB2 ALA 77 16.537 -9.921 3.717 595 HB3 ALA 77 HB3 ALA 77 17.105 -8.619 4.768 596 HA PRO 78 HA PRO 78 17.484 -6.812 0.476 597 HB2 PRO 78 HB2 PRO 78 16.484 -7.760 -1.938 598 HB3 PRO 78 HB3 PRO 78 17.715 -8.588 -0.937 599 HG2 PRO 78 HG2 PRO 78 14.712 -9.037 -0.949 600 HG3 PRO 78 HG3 PRO 78 16.008 -10.272 -0.993 601 HD2 PRO 78 HD2 PRO 78 14.867 -9.775 1.284 602 HD3 PRO 78 HD3 PRO 78 16.639 -9.898 1.226 603 H TYR 79 HN TYR 79 14.091 -6.453 0.885 604 HA TYR 79 HA TYR 79 13.929 -4.334 -1.200 605 HB2 TYR 79 HB2 TYR 79 11.961 -6.340 -0.094 606 HB3 TYR 79 HB3 TYR 79 11.472 -4.994 -1.103 607 HD1 TYR 79 HD1 TYR 79 14.321 -5.344 -2.851 608 HD2 TYR 79 HD2 TYR 79 10.862 -7.783 -1.888 609 HE1 TYR 79 HE1 TYR 79 14.566 -6.423 -4.897 610 HE2 TYR 79 HE2 TYR 79 11.055 -8.796 -4.160 611 HH TYR 79 HH TYR 79 12.908 -9.360 -5.736 612 H LYS 80 HN LYS 80 14.894 -3.755 1.514 613 HA LYS 80 HA LYS 80 12.526 -2.846 2.981 614 HB2 LYS 80 HB2 LYS 80 15.489 -2.474 3.628 615 HB3 LYS 80 HB3 LYS 80 14.154 -1.998 4.677 616 HG2 LYS 80 HG2 LYS 80 14.891 -4.826 3.863 617 HG3 LYS 80 HG3 LYS 80 14.988 -4.135 5.472 618 HD2 LYS 80 HD2 LYS 80 12.318 -3.701 4.912 619 HD3 LYS 80 HD3 LYS 80 12.668 -5.106 3.899 620 HE2 LYS 80 HE2 LYS 80 11.958 -6.135 5.783 621 HE3 LYS 80 HE3 LYS 80 13.705 -6.085 6.101 622 HZ1 LYS 80 HZ1 LYS 80 13.347 -4.116 7.442 623 HZ2 LYS 80 HZ2 LYS 80 12.368 -5.313 8.008 624 HZ3 LYS 80 HZ3 LYS 80 11.760 -4.076 7.101 625 H GLN 81 HN GLN 81 14.765 -1.300 0.741 626 HA GLN 81 HA GLN 81 13.340 1.212 1.282 627 HB2 GLN 81 HB2 GLN 81 15.334 2.485 0.872 628 HB3 GLN 81 HB3 GLN 81 15.369 1.450 2.324 629 HG2 GLN 81 HG2 GLN 81 16.678 -0.102 1.421 630 HG3 GLN 81 HG3 GLN 81 16.406 0.357 -0.248 631 HE21 GLN 81 HE21 GLN 81 18.574 0.725 2.359 632 HE22 GLN 81 HE22 GLN 81 19.637 1.881 1.542 633 H LEU 82 HN LEU 82 12.464 -0.681 -0.715 634 HA LEU 82 HA LEU 82 13.451 -0.024 -3.299 635 HB2 LEU 82 HB2 LEU 82 10.663 -0.744 -2.442 636 HB3 LEU 82 HB3 LEU 82 11.204 -0.613 -4.123 637 HG LEU 82 HG LEU 82 12.405 -2.612 -2.168 638 HD11 LEU 82 HD11 LEU 82 9.974 -2.907 -2.491 639 HD12 LEU 82 HD12 LEU 82 10.913 -4.262 -3.140 640 HD13 LEU 82 HD13 LEU 82 10.241 -3.069 -4.247 641 HD21 LEU 82 HD21 LEU 82 13.880 -2.458 -4.048 642 HD22 LEU 82 HD22 LEU 82 12.519 -2.344 -5.214 643 HD23 LEU 82 HD23 LEU 82 12.840 -3.874 -4.391 644 H LEU 83 HN LEU 83 11.285 1.808 -1.138 645 HA LEU 83 HA LEU 83 10.515 3.882 -2.883 646 HB2 LEU 83 HB2 LEU 83 10.811 3.522 0.040 647 HB3 LEU 83 HB3 LEU 83 11.033 5.188 -0.448 648 HG LEU 83 HG LEU 83 8.639 3.544 -1.326 649 HD11 LEU 83 HD11 LEU 83 7.353 4.428 0.466 650 HD12 LEU 83 HD12 LEU 83 8.619 5.576 0.938 651 HD13 LEU 83 HD13 LEU 83 8.878 3.864 1.199 652 HD21 LEU 83 HD21 LEU 83 8.682 6.572 -1.073 653 HD22 LEU 83 HD22 LEU 83 7.663 5.534 -2.083 654 HD23 LEU 83 HD23 LEU 83 9.366 5.823 -2.497 655 H LYS 84 HN LYS 84 13.755 3.133 -2.135 656 HA LYS 84 HA LYS 84 14.648 5.750 -3.223 657 HB2 LYS 84 HB2 LYS 84 15.085 5.772 -0.859 658 HB3 LYS 84 HB3 LYS 84 15.896 4.212 -0.927 659 HG2 LYS 84 HG2 LYS 84 17.866 5.122 -1.557 660 HG3 LYS 84 HG3 LYS 84 17.117 6.107 -2.815 661 HD2 LYS 84 HD2 LYS 84 16.575 7.852 -1.372 662 HD3 LYS 84 HD3 LYS 84 17.012 6.934 0.089 663 HE2 LYS 84 HE2 LYS 84 19.351 7.046 -0.468 664 HE3 LYS 84 HE3 LYS 84 19.001 7.574 -2.123 665 HZ1 LYS 84 HZ1 LYS 84 18.232 9.640 -1.356 666 HZ2 LYS 84 HZ2 LYS 84 19.682 9.424 -0.681 667 HZ3 LYS 84 HZ3 LYS 84 18.328 9.215 0.237 668 H GLU 85 HN GLU 85 15.240 2.189 -2.991 669 HA GLU 85 HA GLU 85 17.344 2.155 -4.928 670 HB2 GLU 85 HB2 GLU 85 15.262 0.035 -4.257 671 HB3 GLU 85 HB3 GLU 85 16.666 -0.234 -5.273 672 HG2 GLU 85 HG2 GLU 85 18.187 0.221 -3.426 673 HG3 GLU 85 HG3 GLU 85 16.859 0.680 -2.382 674 H GLU 86 HN GLU 86 13.839 2.486 -5.267 675 HA GLU 86 HA GLU 86 14.040 2.456 -8.227 676 HB2 GLU 86 HB2 GLU 86 11.579 2.320 -6.457 677 HB3 GLU 86 HB3 GLU 86 11.651 2.111 -8.188 678 HG2 GLU 86 HG2 GLU 86 13.171 0.208 -6.323 679 HG3 GLU 86 HG3 GLU 86 11.425 0.074 -6.554 680 H LEU 87 HN LEU 87 12.148 4.214 -5.703 681 HA LEU 87 HA LEU 87 11.537 6.298 -7.623 682 HB2 LEU 87 HB2 LEU 87 10.764 5.979 -4.708 683 HB3 LEU 87 HB3 LEU 87 10.257 7.339 -5.693 684 HG LEU 87 HG LEU 87 9.696 4.487 -6.491 685 HD11 LEU 87 HD11 LEU 87 8.651 4.871 -4.301 686 HD12 LEU 87 HD12 LEU 87 7.446 4.750 -5.569 687 HD13 LEU 87 HD13 LEU 87 7.848 6.351 -4.931 688 HD21 LEU 87 HD21 LEU 87 8.020 5.367 -7.909 689 HD22 LEU 87 HD22 LEU 87 9.404 6.430 -8.185 690 HD23 LEU 87 HD23 LEU 87 8.052 6.954 -7.143 691 H GLY 88 HN GLY 88 12.989 6.556 -4.349 692 HA2 GLY 88 HA2 GLY 88 15.006 7.905 -4.023 693 HA3 GLY 88 HA1 GLY 88 14.451 9.025 -5.257 694 H PHE 89 HN PHE 89 12.236 7.703 -2.835 695 HA PHE 89 HA PHE 89 12.082 10.229 -1.332 696 HB2 PHE 89 HB2 PHE 89 10.043 8.955 -1.581 697 HB3 PHE 89 HB3 PHE 89 10.825 7.489 -1.008 698 HD1 PHE 89 HD1 PHE 89 10.153 11.039 0.156 699 HD2 PHE 89 HD2 PHE 89 10.449 6.864 1.225 700 HE1 PHE 89 HE1 PHE 89 9.361 11.559 2.438 701 HE2 PHE 89 HE2 PHE 89 9.647 7.402 3.506 702 HZ PHE 89 HZ PHE 89 9.117 9.744 4.118 703 H ALA 90 HN ALA 90 12.311 9.525 1.289 704 HA ALA 90 HA ALA 90 14.253 7.486 1.768 705 HB1 ALA 90 HB1 ALA 90 15.176 10.366 2.237 706 HB2 ALA 90 HB2 ALA 90 15.949 8.912 2.885 707 HB3 ALA 90 HB3 ALA 90 15.914 9.158 1.151 708 H GLY 91 HN GLY 91 13.208 10.603 3.341 709 HA2 GLY 91 HA2 GLY 91 11.501 9.196 5.214 710 HA3 GLY 91 HA1 GLY 91 12.951 9.971 5.893 711 H TYR 92 HN TYR 92 10.663 10.989 6.777 712 HA TYR 92 HA TYR 92 9.401 12.894 5.029 713 HB2 TYR 92 HB2 TYR 92 9.112 12.640 8.025 714 HB3 TYR 92 HB3 TYR 92 7.947 13.332 6.897 715 HD1 TYR 92 HD1 TYR 92 6.958 11.765 5.086 716 HD2 TYR 92 HD2 TYR 92 9.128 10.319 8.531 717 HE1 TYR 92 HE1 TYR 92 6.206 9.473 4.598 718 HE2 TYR 92 HE2 TYR 92 8.446 8.010 8.020 719 HH TYR 92 HH TYR 92 7.524 6.617 6.401 720 H SER 93 HN SER 93 9.522 15.114 5.040 721 HA SER 93 HA SER 93 11.870 16.388 6.223 722 HB2 SER 93 HB2 SER 93 9.525 17.848 5.013 723 HB3 SER 93 HB3 SER 93 11.224 18.292 4.993 724 HG SER 93 HG SER 93 9.944 17.140 3.068 725 H ILE 94 HN ILE 94 11.690 18.078 7.798 726 HA ILE 94 HA ILE 94 9.965 17.435 9.942 727 HB ILE 94 HB ILE 94 12.071 18.403 10.407 728 HG12 ILE 94 HG12 ILE 94 11.432 20.186 12.031 729 HG13 ILE 94 HG13 ILE 94 9.831 20.271 11.338 730 HG21 ILE 94 HG21 ILE 94 12.661 20.719 10.002 731 HG22 ILE 94 HG22 ILE 94 12.304 19.910 8.473 732 HG23 ILE 94 HG23 ILE 94 11.109 21.020 9.201 733 HD11 ILE 94 HD11 ILE 94 9.378 17.922 12.026 734 HD12 ILE 94 HD12 ILE 94 11.045 17.787 12.643 735 HD13 ILE 94 HD13 ILE 94 9.890 18.897 13.398 736 H ASN 95 HN ASN 95 9.718 20.061 7.595 737 HA ASN 95 HA ASN 95 7.394 21.243 8.780 738 HB2 ASN 95 HB2 ASN 95 8.314 21.335 5.880 739 HB3 ASN 95 HB3 ASN 95 7.171 22.429 6.638 740 HD21 ASN 95 HD21 ASN 95 10.263 22.308 5.617 741 HD22 ASN 95 HD22 ASN 95 10.813 23.643 6.613 742 H GLU 96 HN GLU 96 7.793 18.314 7.007 743 HA GLU 96 HA GLU 96 5.047 18.278 5.920 744 HB2 GLU 96 HB2 GLU 96 7.498 16.499 5.459 745 HB3 GLU 96 HB3 GLU 96 5.904 16.189 4.798 746 HG2 GLU 96 HG2 GLU 96 5.902 18.306 3.592 747 HG3 GLU 96 HG3 GLU 96 7.503 18.689 4.230 748 H LEU 97 HN LEU 97 6.746 17.399 8.761 749 HA LEU 97 HA LEU 97 5.982 14.676 8.778 750 HB2 LEU 97 HB2 LEU 97 7.673 16.465 10.323 751 HB3 LEU 97 HB3 LEU 97 6.767 15.509 11.449 752 HG LEU 97 HG LEU 97 8.399 14.420 9.126 753 HD11 LEU 97 HD11 LEU 97 9.029 14.488 12.096 754 HD12 LEU 97 HD12 LEU 97 9.814 15.472 10.829 755 HD13 LEU 97 HD13 LEU 97 10.024 13.716 10.820 756 HD21 LEU 97 HD21 LEU 97 6.603 12.846 9.785 757 HD22 LEU 97 HD22 LEU 97 7.101 12.970 11.487 758 HD23 LEU 97 HD23 LEU 97 8.169 12.226 10.282 759 H VAL 98 HN VAL 98 3.731 14.610 8.455 760 HA VAL 98 HA VAL 98 2.138 15.381 10.838 761 HB VAL 98 HB VAL 98 0.316 15.760 9.310 762 HG11 VAL 98 HG11 VAL 98 0.995 17.723 8.341 763 HG12 VAL 98 HG12 VAL 98 2.131 17.532 9.693 764 HG13 VAL 98 HG13 VAL 98 2.644 17.172 8.022 765 HG21 VAL 98 HG21 VAL 98 0.676 14.187 7.506 766 HG22 VAL 98 HG22 VAL 98 0.668 15.813 6.829 767 HG23 VAL 98 HG23 VAL 98 2.212 14.979 7.077 768 HA PRO 99 HA PRO 99 0.864 11.165 11.334 769 HB2 PRO 99 HB2 PRO 99 -1.683 11.491 12.381 770 HB3 PRO 99 HB3 PRO 99 -0.169 11.688 13.286 771 HG2 PRO 99 HG2 PRO 99 -1.873 13.827 12.003 772 HG3 PRO 99 HG3 PRO 99 -1.137 13.836 13.636 773 HD2 PRO 99 HD2 PRO 99 0.002 15.132 11.541 774 HD3 PRO 99 HD3 PRO 99 1.009 14.301 12.756 775 H ARG 100 HN ARG 100 -0.737 13.357 9.139 776 HA ARG 100 HA ARG 100 -2.315 11.075 8.053 777 HB2 ARG 100 HB2 ARG 100 -2.141 14.047 7.302 778 HB3 ARG 100 HB3 ARG 100 -3.110 12.881 6.392 779 HG2 ARG 100 HG2 ARG 100 -4.528 12.423 8.263 780 HG3 ARG 100 HG3 ARG 100 -3.487 13.320 9.369 781 HD2 ARG 100 HD2 ARG 100 -4.023 15.442 8.209 782 HD3 ARG 100 HD3 ARG 100 -4.987 14.560 7.031 783 HE ARG 100 HE ARG 100 -6.723 14.569 8.419 784 HH11 ARG 100 HH11 ARG 100 -3.875 15.002 10.532 785 HH12 ARG 100 HH12 ARG 100 -4.796 14.746 11.992 786 HH21 ARG 100 HH21 ARG 100 -7.950 14.986 10.370 787 HH22 ARG 100 HH22 ARG 100 -7.158 14.949 11.891 788 H LYS 101 HN LYS 101 0.908 12.093 7.655 789 HA LYS 101 HA LYS 101 0.789 10.967 4.872 790 HB2 LYS 101 HB2 LYS 101 2.103 12.467 4.025 791 HB3 LYS 101 HB3 LYS 101 1.427 13.491 5.256 792 HG2 LYS 101 HG2 LYS 101 3.470 13.079 6.651 793 HG3 LYS 101 HG3 LYS 101 4.150 12.095 5.349 794 HD2 LYS 101 HD2 LYS 101 3.398 15.016 5.045 795 HD3 LYS 101 HD3 LYS 101 4.990 14.348 5.455 796 HE2 LYS 101 HE2 LYS 101 4.925 15.155 3.262 797 HE3 LYS 101 HE3 LYS 101 5.324 13.423 3.340 798 HZ1 LYS 101 HZ1 LYS 101 3.769 14.145 1.506 799 HZ2 LYS 101 HZ2 LYS 101 2.618 14.403 2.656 800 HZ3 LYS 101 HZ3 LYS 101 3.253 12.899 2.430 801 H THR 102 HN THR 102 2.473 10.902 8.017 802 HA THR 102 HA THR 102 4.662 9.313 7.268 803 HB THR 102 HB THR 102 4.441 8.577 9.712 804 HG1 THR 102 HG1 THR 102 2.940 9.943 10.894 805 HG21 THR 102 HG21 THR 102 5.816 10.504 9.040 806 HG22 THR 102 HG22 THR 102 5.051 10.769 10.611 807 HG23 THR 102 HG23 THR 102 4.403 11.575 9.165 808 H ARG 103 HN ARG 103 1.482 8.290 8.615 809 HA ARG 103 HA ARG 103 2.155 5.521 8.074 810 HB2 ARG 103 HB2 ARG 103 -0.178 5.071 8.919 811 HB3 ARG 103 HB3 ARG 103 0.922 5.915 9.982 812 HG2 ARG 103 HG2 ARG 103 -0.282 8.118 9.011 813 HG3 ARG 103 HG3 ARG 103 -1.544 6.973 8.614 814 HD2 ARG 103 HD2 ARG 103 -1.996 7.997 10.737 815 HD3 ARG 103 HD3 ARG 103 -1.631 6.291 11.018 816 HE ARG 103 HE ARG 103 0.785 7.396 11.466 817 HH11 ARG 103 HH11 ARG 103 -2.430 8.512 12.646 818 HH12 ARG 103 HH12 ARG 103 -1.726 9.280 14.035 819 HH21 ARG 103 HH21 ARG 103 1.582 8.347 13.399 820 HH22 ARG 103 HH22 ARG 103 0.453 8.794 14.646 821 H ARG 104 HN ARG 104 0.380 7.932 6.303 822 HA ARG 104 HA ARG 104 -0.604 6.206 4.211 823 HB2 ARG 104 HB2 ARG 104 -1.377 8.531 4.967 824 HB3 ARG 104 HB3 ARG 104 -0.015 9.153 4.016 825 HG2 ARG 104 HG2 ARG 104 -0.949 8.379 1.994 826 HG3 ARG 104 HG3 ARG 104 -2.186 7.413 2.809 827 HD2 ARG 104 HD2 ARG 104 -3.375 9.373 3.548 828 HD3 ARG 104 HD3 ARG 104 -1.986 10.401 3.293 829 HE ARG 104 HE ARG 104 -3.937 9.514 1.288 830 HH11 ARG 104 HH11 ARG 104 -1.083 11.586 1.961 831 HH12 ARG 104 HH12 ARG 104 -0.783 11.834 0.275 832 HH21 ARG 104 HH21 ARG 104 -3.902 10.451 -0.660 833 HH22 ARG 104 HH22 ARG 104 -2.813 11.724 -1.048 834 H ALA 105 HN ALA 105 2.715 7.261 4.859 835 HA ALA 105 HA ALA 105 3.482 6.820 2.040 836 HB1 ALA 105 HB1 ALA 105 4.580 8.632 3.186 837 HB2 ALA 105 HB2 ALA 105 4.985 7.581 4.541 838 HB3 ALA 105 HB3 ALA 105 5.758 7.329 2.963 839 H THR 106 HN THR 106 3.309 5.044 5.118 840 HA THR 106 HA THR 106 5.257 3.069 4.615 841 HB THR 106 HB THR 106 2.572 2.819 6.040 842 HG1 THR 106 HG1 THR 106 4.987 3.933 7.062 843 HG21 THR 106 HG21 THR 106 3.806 0.713 6.031 844 HG22 THR 106 HG22 THR 106 3.852 1.418 7.658 845 HG23 THR 106 HG23 THR 106 5.268 1.553 6.602 846 H MET 107 HN MET 107 1.840 3.274 3.528 847 HA MET 107 HA MET 107 1.637 0.672 2.373 848 HB2 MET 107 HB2 MET 107 -0.024 1.781 0.841 849 HB3 MET 107 HB3 MET 107 -0.385 1.862 2.564 850 HG2 MET 107 HG2 MET 107 0.156 4.166 2.689 851 HG3 MET 107 HG3 MET 107 1.023 4.140 1.161 852 HE1 MET 107 HE1 MET 107 -2.742 2.920 2.000 853 HE2 MET 107 HE2 MET 107 -2.442 4.426 2.907 854 HE3 MET 107 HE3 MET 107 -3.576 4.419 1.542 855 H THR 108 HN THR 108 3.047 3.732 1.085 856 HA THR 108 HA THR 108 3.182 2.939 -1.556 857 HB THR 108 HB THR 108 5.131 4.853 -0.249 858 HG1 THR 108 HG1 THR 108 2.370 5.324 -0.712 859 HG21 THR 108 HG21 THR 108 4.515 6.254 -2.224 860 HG22 THR 108 HG22 THR 108 3.465 4.961 -2.806 861 HG23 THR 108 HG23 THR 108 5.229 4.699 -2.690 862 H ASN 109 HN ASN 109 5.667 2.454 1.017 863 HA ASN 109 HA ASN 109 7.624 1.411 -0.793 864 HB2 ASN 109 HB2 ASN 109 8.048 2.007 1.635 865 HB3 ASN 109 HB3 ASN 109 7.286 0.509 2.101 866 HD21 ASN 109 HD21 ASN 109 8.831 -1.329 2.172 867 HD22 ASN 109 HD22 ASN 109 10.318 -1.290 1.263 868 H TRP 110 HN TRP 110 4.741 -0.126 0.561 869 HA TRP 110 HA TRP 110 5.631 -2.843 -0.057 870 HB2 TRP 110 HB2 TRP 110 4.034 -2.547 1.725 871 HB3 TRP 110 HB3 TRP 110 2.940 -1.669 0.675 872 HD1 TRP 110 HD1 TRP 110 4.022 -5.220 1.507 873 HE1 TRP 110 HE1 TRP 110 2.285 -6.872 0.479 874 HE3 TRP 110 HE3 TRP 110 1.365 -1.971 -1.447 875 HZ2 TRP 110 HZ2 TRP 110 0.122 -6.785 -1.365 876 HZ3 TRP 110 HZ3 TRP 110 -0.559 -2.790 -2.777 877 HH2 TRP 110 HH2 TRP 110 -1.168 -5.195 -2.764 878 H LEU 111 HN LEU 111 3.846 -0.229 -1.787 879 HA LEU 111 HA LEU 111 2.880 -1.989 -3.818 880 HB2 LEU 111 HB2 LEU 111 3.272 0.978 -3.592 881 HB3 LEU 111 HB3 LEU 111 3.154 0.315 -5.209 882 HG LEU 111 HG LEU 111 1.042 0.104 -3.041 883 HD11 LEU 111 HD11 LEU 111 1.054 1.516 -5.755 884 HD12 LEU 111 HD12 LEU 111 1.309 2.326 -4.207 885 HD13 LEU 111 HD13 LEU 111 -0.250 1.555 -4.550 886 HD21 LEU 111 HD21 LEU 111 1.097 -1.043 -5.858 887 HD22 LEU 111 HD22 LEU 111 -0.395 -0.840 -4.916 888 HD23 LEU 111 HD23 LEU 111 0.864 -1.947 -4.362 889 H LEU 112 HN LEU 112 6.107 -0.265 -3.597 890 HA LEU 112 HA LEU 112 7.074 -1.409 -6.017 891 HB2 LEU 112 HB2 LEU 112 8.666 -0.900 -3.474 892 HB3 LEU 112 HB3 LEU 112 9.266 -1.167 -5.117 893 HG LEU 112 HG LEU 112 9.594 1.020 -4.973 894 HD11 LEU 112 HD11 LEU 112 6.694 1.136 -5.841 895 HD12 LEU 112 HD12 LEU 112 8.051 0.740 -6.892 896 HD13 LEU 112 HD13 LEU 112 7.969 2.333 -6.177 897 HD21 LEU 112 HD21 LEU 112 8.322 2.662 -3.749 898 HD22 LEU 112 HD22 LEU 112 8.779 1.300 -2.714 899 HD23 LEU 112 HD23 LEU 112 7.117 1.435 -3.343 900 H ALA 113 HN ALA 113 7.343 -2.562 -2.601 901 HA ALA 113 HA ALA 113 8.611 -5.066 -3.225 902 HB1 ALA 113 HB1 ALA 113 8.385 -5.625 -0.962 903 HB2 ALA 113 HB2 ALA 113 8.810 -3.915 -1.030 904 HB3 ALA 113 HB3 ALA 113 7.103 -4.404 -0.704 905 H TYR 114 HN TYR 114 5.646 -4.299 -4.256 906 HA TYR 114 HA TYR 114 4.539 -7.080 -4.032 907 HB2 TYR 114 HB2 TYR 114 2.972 -5.335 -3.405 908 HB3 TYR 114 HB3 TYR 114 3.301 -4.402 -4.851 909 HD1 TYR 114 HD1 TYR 114 1.570 -7.347 -3.482 910 HD2 TYR 114 HD2 TYR 114 2.346 -5.037 -7.036 911 HE1 TYR 114 HE1 TYR 114 -0.369 -8.410 -4.584 912 HE2 TYR 114 HE2 TYR 114 0.449 -6.152 -8.188 913 HH TYR 114 HH TYR 114 -1.948 -7.753 -6.480 914 H ARG 115 HN ARG 115 5.065 -4.406 -6.484 915 HA ARG 115 HA ARG 115 4.720 -6.236 -8.680 916 HB2 ARG 115 HB2 ARG 115 5.424 -4.445 -10.132 917 HB3 ARG 115 HB3 ARG 115 4.243 -3.917 -8.930 918 HG2 ARG 115 HG2 ARG 115 5.560 -2.226 -8.318 919 HG3 ARG 115 HG3 ARG 115 6.823 -3.315 -7.796 920 HD2 ARG 115 HD2 ARG 115 6.615 -2.788 -10.713 921 HD3 ARG 115 HD3 ARG 115 7.128 -1.446 -9.726 922 HE ARG 115 HE ARG 115 8.929 -2.765 -8.815 923 HH11 ARG 115 HH11 ARG 115 7.992 -3.092 -12.251 924 HH12 ARG 115 HH12 ARG 115 9.629 -3.551 -12.660 925 HH21 ARG 115 HH21 ARG 115 10.959 -3.503 -9.457 926 HH22 ARG 115 HH22 ARG 115 11.247 -3.684 -11.146 927 H ARG 116 HN ARG 116 7.606 -5.404 -6.849 928 HA ARG 116 HA ARG 116 9.618 -6.562 -8.364 929 HB2 ARG 116 HB2 ARG 116 10.828 -6.995 -6.455 930 HB3 ARG 116 HB3 ARG 116 10.114 -5.488 -6.721 931 HG2 ARG 116 HG2 ARG 116 10.130 -6.178 -4.342 932 HG3 ARG 116 HG3 ARG 116 8.519 -5.805 -5.038 933 HD2 ARG 116 HD2 ARG 116 7.970 -7.726 -5.569 934 HD3 ARG 116 HD3 ARG 116 9.587 -8.415 -5.545 935 HE ARG 116 HE ARG 116 7.910 -7.640 -3.104 936 HH11 ARG 116 HH11 ARG 116 9.161 -10.623 -4.597 937 HH12 ARG 116 HH12 ARG 116 9.775 -11.236 -3.134 938 HH21 ARG 116 HH21 ARG 116 7.949 -8.771 -1.220 939 HH22 ARG 116 HH22 ARG 116 8.543 -10.431 -1.206 940 H SER 117 HN SER 117 7.345 -8.245 -6.722 941 HA SER 117 HA SER 117 8.722 -10.396 -7.075 942 HB2 SER 117 HB2 SER 117 6.477 -9.842 -5.576 943 HB3 SER 117 HB3 SER 117 5.861 -11.151 -6.588 944 HG SER 117 HG SER 117 7.471 -12.469 -5.861 945 H GLN 118 HN GLN 118 6.373 -9.015 -9.193 946 HA GLN 118 HA GLN 118 5.145 -11.202 -10.491 947 HB2 GLN 118 HB2 GLN 118 5.554 -8.320 -11.335 948 HB3 GLN 118 HB3 GLN 118 4.726 -9.505 -12.344 949 HG2 GLN 118 HG2 GLN 118 3.060 -9.937 -10.609 950 HG3 GLN 118 HG3 GLN 118 3.862 -8.797 -9.526 951 HE21 GLN 118 HE21 GLN 118 2.327 -7.263 -9.347 952 HE22 GLN 118 HE22 GLN 118 1.732 -6.269 -10.708 953 H GLN 119 HN GLN 119 7.791 -9.164 -11.489 954 HA GLN 119 HA GLN 119 8.596 -10.994 -13.619 955 HB2 GLN 119 HB2 GLN 119 10.117 -9.090 -14.309 956 HB3 GLN 119 HB3 GLN 119 8.403 -8.894 -14.449 957 HG2 GLN 119 HG2 GLN 119 9.479 -6.859 -13.623 958 HG3 GLN 119 HG3 GLN 119 8.254 -7.521 -12.571 959 HE21 GLN 119 HE21 GLN 119 8.793 -6.845 -10.627 960 HE22 GLN 119 HE22 GLN 119 10.203 -7.520 -9.795 961 H ASP 120 HN ASP 120 9.143 -11.140 -10.632 962 HA ASP 120 HA ASP 120 11.638 -10.664 -9.809 963 HB2 ASP 120 HB2 ASP 120 9.949 -11.589 -8.343 964 HB3 ASP 120 HB3 ASP 120 10.101 -13.192 -9.081
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