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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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8394 |
1m7t ![]() ![]() |
5308 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 2.906 -4.327 -3.980 2 2H MET 1 HT2 MET 1 2.650 -5.601 -2.859 3 3H MET 1 HT3 MET 1 4.134 -4.738 -2.858 4 HA MET 1 HA MET 1 2.517 -4.178 -1.079 5 1HB MET 1 HB2 MET 1 2.996 -1.724 -1.405 6 2HB MET 1 HB1 MET 1 4.397 -2.778 -1.536 7 1HG MET 1 HG2 MET 1 4.596 -2.461 -3.807 8 2HG MET 1 HG1 MET 1 2.907 -1.993 -3.998 9 1HE MET 1 HE1 MET 1 6.344 -1.302 -3.167 10 2HE MET 1 HE2 MET 1 6.169 -0.120 -1.869 11 3HE MET 1 HE3 MET 1 6.553 0.416 -3.505 12 H VAL 2 HN VAL 2 0.474 -5.168 -2.193 13 HA VAL 2 HA VAL 2 -1.728 -4.896 -2.684 14 HB VAL 2 HB VAL 2 -1.273 -1.964 -2.089 15 1HG1 VAL 2 HG11 VAL 2 -3.473 -3.060 -3.222 16 2HG1 VAL 2 HG12 VAL 2 -3.505 -1.639 -2.182 17 3HG1 VAL 2 HG13 VAL 2 -3.870 -3.229 -1.514 18 1HG2 VAL 2 HG21 VAL 2 -2.564 -3.492 -0.002 19 2HG2 VAL 2 HG22 VAL 2 -1.160 -2.428 0.086 20 3HG2 VAL 2 HG23 VAL 2 -0.956 -4.122 -0.363 21 H LYS 3 HN LYS 3 -3.019 -4.495 -4.479 22 HA LYS 3 HA LYS 3 -1.971 -2.686 -6.521 23 1HB LYS 3 HB2 LYS 3 -2.469 -4.566 -8.228 24 2HB LYS 3 HB1 LYS 3 -0.960 -4.626 -7.329 25 1HG LYS 3 HG2 LYS 3 -2.127 -6.181 -5.715 26 2HG LYS 3 HG1 LYS 3 -3.439 -6.267 -6.891 27 1HD LYS 3 HD2 LYS 3 -2.090 -8.124 -7.375 28 2HD LYS 3 HD1 LYS 3 -1.637 -6.922 -8.584 29 1HE LYS 3 HE2 LYS 3 0.459 -6.784 -7.821 30 2HE LYS 3 HE1 LYS 3 -0.062 -6.739 -6.138 31 1HZ LYS 3 HZ1 LYS 3 0.502 -9.089 -7.832 32 2HZ LYS 3 HZ2 LYS 3 -0.476 -9.230 -6.460 33 3HZ LYS 3 HZ3 LYS 3 1.126 -8.710 -6.306 34 H GLN 4 HN GLN 4 -3.547 -1.451 -7.182 35 HA GLN 4 HA GLN 4 -6.268 -1.975 -6.531 36 1HB GLN 4 HB2 GLN 4 -5.536 0.296 -6.518 37 2HB GLN 4 HB1 GLN 4 -4.896 0.174 -8.148 38 1HG GLN 4 HG2 GLN 4 -6.986 1.471 -7.999 39 2HG GLN 4 HG1 GLN 4 -7.099 0.080 -9.076 40 1HE2 GLN 4 HE21 GLN 4 -7.810 1.145 -5.783 41 2HE2 GLN 4 HE22 GLN 4 -9.210 0.153 -5.574 42 H ILE 5 HN ILE 5 -7.726 -3.062 -7.687 43 HA ILE 5 HA ILE 5 -7.042 -3.852 -10.432 44 HB ILE 5 HB ILE 5 -8.520 -5.141 -8.221 45 1HG1 ILE 5 HG12 ILE 5 -7.406 -7.088 -8.978 46 2HG1 ILE 5 HG11 ILE 5 -7.140 -6.411 -10.579 47 1HG2 ILE 5 HG21 ILE 5 -10.398 -5.007 -9.657 48 2HG2 ILE 5 HG22 ILE 5 -9.742 -6.634 -9.838 49 3HG2 ILE 5 HG23 ILE 5 -9.428 -5.416 -11.073 50 1HD1 ILE 5 HD11 ILE 5 -5.282 -6.542 -8.623 51 2HD1 ILE 5 HD12 ILE 5 -5.898 -4.906 -8.396 52 3HD1 ILE 5 HD13 ILE 5 -5.248 -5.394 -9.961 53 H GLU 6 HN GLU 6 -7.820 -2.473 -11.892 54 HA GLU 6 HA GLU 6 -10.418 -1.214 -11.448 55 1HB GLU 6 HB2 GLU 6 -8.009 -0.509 -13.037 56 2HB GLU 6 HB1 GLU 6 -9.564 -0.014 -13.691 57 1HG GLU 6 HG2 GLU 6 -10.041 1.068 -11.483 58 2HG GLU 6 HG1 GLU 6 -8.366 0.744 -11.041 59 H SER 7 HN SER 7 -9.903 -4.061 -12.432 60 HA SER 7 HA SER 7 -11.950 -4.001 -14.460 61 1HB SER 7 HB2 SER 7 -9.270 -5.200 -15.165 62 2HB SER 7 HB1 SER 7 -10.689 -5.087 -16.204 63 HG SER 7 HG SER 7 -10.005 -3.192 -16.760 64 H LYS 8 HN LYS 8 -12.714 -6.176 -15.050 65 HA LYS 8 HA LYS 8 -12.847 -7.864 -12.754 66 1HB LYS 8 HB2 LYS 8 -14.759 -7.577 -14.256 67 2HB LYS 8 HB1 LYS 8 -13.848 -8.300 -15.574 68 1HG LYS 8 HG2 LYS 8 -13.748 -10.169 -13.503 69 2HG LYS 8 HG1 LYS 8 -15.405 -9.563 -13.511 70 1HD LYS 8 HD2 LYS 8 -15.664 -11.177 -15.082 71 2HD LYS 8 HD1 LYS 8 -15.047 -9.913 -16.148 72 1HE LYS 8 HE2 LYS 8 -12.745 -10.823 -15.731 73 2HE LYS 8 HE1 LYS 8 -13.504 -12.182 -14.901 74 1HZ LYS 8 HZ1 LYS 8 -14.849 -12.285 -17.143 75 2HZ LYS 8 HZ2 LYS 8 -13.340 -13.035 -16.986 76 3HZ LYS 8 HZ3 LYS 8 -13.461 -11.531 -17.751 77 H THR 9 HN THR 9 -10.936 -7.813 -15.652 78 HA THR 9 HA THR 9 -10.069 -10.555 -15.452 79 HB THR 9 HB THR 9 -8.575 -8.479 -17.013 80 HG1 THR 9 HG1 THR 9 -11.104 -9.549 -17.721 81 1HG2 THR 9 HG21 THR 9 -7.620 -10.412 -17.630 82 2HG2 THR 9 HG22 THR 9 -9.019 -10.521 -18.699 83 3HG2 THR 9 HG23 THR 9 -9.017 -11.379 -17.158 84 H ALA 10 HN ALA 10 -8.960 -7.413 -14.403 85 HA ALA 10 HA ALA 10 -6.315 -8.147 -13.730 86 1HB ALA 10 HB1 ALA 10 -7.999 -5.950 -12.525 87 2HB ALA 10 HB2 ALA 10 -7.060 -5.813 -14.012 88 3HB ALA 10 HB3 ALA 10 -6.241 -6.076 -12.473 89 H PHE 11 HN PHE 11 -9.370 -8.270 -11.974 90 HA PHE 11 HA PHE 11 -8.347 -8.839 -9.418 91 1HB PHE 11 HB2 PHE 11 -10.781 -8.317 -10.118 92 2HB PHE 11 HB1 PHE 11 -10.914 -10.034 -10.474 93 HD1 PHE 11 HD1 PHE 11 -9.209 -8.236 -7.701 94 HD2 PHE 11 HD2 PHE 11 -12.260 -10.970 -8.844 95 HE1 PHE 11 HE1 PHE 11 -9.680 -8.690 -5.331 96 HE2 PHE 11 HE2 PHE 11 -12.733 -11.441 -6.474 97 HZ PHE 11 HZ PHE 11 -11.439 -10.300 -4.714 98 H GLN 12 HN GLN 12 -9.232 -10.961 -12.102 99 HA GLN 12 HA GLN 12 -8.626 -13.398 -10.784 100 1HB GLN 12 HB2 GLN 12 -8.614 -12.768 -13.748 101 2HB GLN 12 HB1 GLN 12 -8.590 -14.381 -13.050 102 1HG GLN 12 HG2 GLN 12 -10.811 -12.367 -12.780 103 2HG GLN 12 HG1 GLN 12 -10.813 -13.789 -13.823 104 1HE2 GLN 12 HE21 GLN 12 -10.946 -12.638 -10.545 105 2HE2 GLN 12 HE22 GLN 12 -11.558 -14.093 -9.838 106 H GLU 13 HN GLU 13 -6.783 -11.256 -12.923 107 HA GLU 13 HA GLU 13 -4.454 -12.769 -13.134 108 1HB GLU 13 HB2 GLU 13 -5.056 -9.842 -13.354 109 2HB GLU 13 HB1 GLU 13 -3.397 -10.413 -13.460 110 1HG GLU 13 HG2 GLU 13 -4.369 -12.038 -15.250 111 2HG GLU 13 HG1 GLU 13 -5.679 -10.861 -15.323 112 H ALA 14 HN ALA 14 -5.319 -10.261 -10.769 113 HA ALA 14 HA ALA 14 -2.853 -10.295 -9.396 114 1HB ALA 14 HB1 ALA 14 -5.607 -9.428 -8.543 115 2HB ALA 14 HB2 ALA 14 -4.285 -8.414 -9.121 116 3HB ALA 14 HB3 ALA 14 -4.164 -9.209 -7.552 117 H LEU 15 HN LEU 15 -5.760 -12.212 -9.154 118 HA LEU 15 HA LEU 15 -5.168 -13.421 -6.650 119 1HB LEU 15 HB2 LEU 15 -7.061 -13.973 -8.891 120 2HB LEU 15 HB1 LEU 15 -6.795 -15.221 -7.690 121 HG LEU 15 HG LEU 15 -7.632 -12.420 -6.961 122 1HD1 LEU 15 HD11 LEU 15 -9.401 -13.156 -8.312 123 2HD1 LEU 15 HD12 LEU 15 -9.908 -13.515 -6.662 124 3HD1 LEU 15 HD13 LEU 15 -9.300 -14.807 -7.698 125 1HD2 LEU 15 HD21 LEU 15 -6.563 -14.068 -5.295 126 2HD2 LEU 15 HD22 LEU 15 -8.091 -14.942 -5.407 127 3HD2 LEU 15 HD23 LEU 15 -8.070 -13.272 -4.841 128 H ASP 16 HN ASP 16 -4.415 -14.201 -9.995 129 HA ASP 16 HA ASP 16 -3.462 -16.819 -9.590 130 1HB ASP 16 HB2 ASP 16 -3.956 -15.813 -11.827 131 2HB ASP 16 HB1 ASP 16 -2.506 -14.825 -11.662 132 H ALA 17 HN ALA 17 -2.005 -13.658 -9.207 133 HA ALA 17 HA ALA 17 0.654 -14.655 -8.773 134 1HB ALA 17 HB1 ALA 17 -0.189 -11.960 -7.823 135 2HB ALA 17 HB2 ALA 17 -0.163 -12.282 -9.558 136 3HB ALA 17 HB3 ALA 17 1.310 -12.466 -8.604 137 H ALA 18 HN ALA 18 -2.172 -14.189 -6.850 138 HA ALA 18 HA ALA 18 -0.919 -13.926 -4.313 139 1HB ALA 18 HB1 ALA 18 -3.015 -14.000 -3.399 140 2HB ALA 18 HB2 ALA 18 -3.608 -15.183 -4.565 141 3HB ALA 18 HB3 ALA 18 -3.401 -13.499 -5.045 142 H GLY 19 HN GLY 19 -1.809 -16.730 -6.311 143 1HA GLY 19 HA2 GLY 19 -1.387 -18.934 -6.026 144 2HA GLY 19 HA1 GLY 19 -0.005 -18.419 -5.074 145 H ASP 20 HN ASP 20 0.062 -19.299 -3.161 146 HA ASP 20 HA ASP 20 -2.379 -20.325 -1.958 147 1HB ASP 20 HB2 ASP 20 -0.880 -21.532 -0.447 148 2HB ASP 20 HB1 ASP 20 -0.427 -21.805 -2.127 149 H LYS 21 HN LYS 21 -0.877 -17.408 -1.874 150 HA LYS 21 HA LYS 21 -0.841 -16.933 0.943 151 1HB LYS 21 HB2 LYS 21 -0.821 -14.972 -1.365 152 2HB LYS 21 HB1 LYS 21 -0.500 -14.574 0.317 153 1HG LYS 21 HG2 LYS 21 1.541 -15.728 0.316 154 2HG LYS 21 HG1 LYS 21 1.156 -16.573 -1.185 155 1HD LYS 21 HD2 LYS 21 1.458 -14.621 -2.477 156 2HD LYS 21 HD1 LYS 21 1.430 -13.579 -1.053 157 1HE LYS 21 HE2 LYS 21 3.539 -14.612 -0.295 158 2HE LYS 21 HE1 LYS 21 3.575 -15.577 -1.770 159 1HZ LYS 21 HZ1 LYS 21 3.582 -13.442 -3.020 160 2HZ LYS 21 HZ2 LYS 21 4.969 -13.700 -2.087 161 3HZ LYS 21 HZ3 LYS 21 3.778 -12.625 -1.551 162 H LEU 22 HN LEU 22 -2.324 -15.666 2.116 163 HA LEU 22 HA LEU 22 -5.054 -15.966 1.267 164 1HB LEU 22 HB2 LEU 22 -4.624 -16.286 3.584 165 2HB LEU 22 HB1 LEU 22 -3.748 -14.775 3.709 166 HG LEU 22 HG LEU 22 -5.726 -13.492 3.695 167 1HD1 LEU 22 HD11 LEU 22 -7.285 -14.055 2.202 168 2HD1 LEU 22 HD12 LEU 22 -7.909 -15.149 3.436 169 3HD1 LEU 22 HD13 LEU 22 -6.797 -15.750 2.207 170 1HD2 LEU 22 HD21 LEU 22 -5.980 -16.007 5.301 171 2HD2 LEU 22 HD22 LEU 22 -7.212 -14.748 5.386 172 3HD2 LEU 22 HD23 LEU 22 -5.546 -14.383 5.836 173 H VAL 23 HN VAL 23 -6.321 -14.459 0.320 174 HA VAL 23 HA VAL 23 -5.144 -11.790 -0.063 175 HB VAL 23 HB VAL 23 -7.258 -12.895 -1.865 176 1HG1 VAL 23 HG11 VAL 23 -6.986 -10.842 -2.698 177 2HG1 VAL 23 HG12 VAL 23 -5.438 -11.415 -3.318 178 3HG1 VAL 23 HG13 VAL 23 -5.511 -10.576 -1.769 179 1HG2 VAL 23 HG21 VAL 23 -5.888 -14.567 -2.452 180 2HG2 VAL 23 HG22 VAL 23 -4.510 -13.849 -1.620 181 3HG2 VAL 23 HG23 VAL 23 -4.932 -13.315 -3.246 182 H VAL 24 HN VAL 24 -6.017 -10.393 1.250 183 HA VAL 24 HA VAL 24 -8.914 -10.507 1.721 184 HB VAL 24 HB VAL 24 -7.601 -10.503 3.788 185 1HG1 VAL 24 HG11 VAL 24 -5.960 -8.684 2.390 186 2HG1 VAL 24 HG12 VAL 24 -5.730 -9.337 4.011 187 3HG1 VAL 24 HG13 VAL 24 -6.609 -7.825 3.788 188 1HG2 VAL 24 HG21 VAL 24 -9.072 -9.175 4.846 189 2HG2 VAL 24 HG22 VAL 24 -9.750 -8.927 3.236 190 3HG2 VAL 24 HG23 VAL 24 -8.614 -7.756 3.905 191 H VAL 25 HN VAL 25 -10.075 -9.173 0.567 192 HA VAL 25 HA VAL 25 -8.826 -6.698 -0.407 193 HB VAL 25 HB VAL 25 -10.372 -7.029 -2.443 194 1HG1 VAL 25 HG11 VAL 25 -7.849 -7.313 -2.310 195 2HG1 VAL 25 HG12 VAL 25 -8.671 -8.176 -3.611 196 3HG1 VAL 25 HG13 VAL 25 -8.154 -9.044 -2.166 197 1HG2 VAL 25 HG21 VAL 25 -11.301 -9.070 -2.876 198 2HG2 VAL 25 HG22 VAL 25 -11.435 -9.056 -1.117 199 3HG2 VAL 25 HG23 VAL 25 -10.120 -9.936 -1.894 200 H ASP 26 HN ASP 26 -10.464 -5.085 -1.178 201 HA ASP 26 HA ASP 26 -12.921 -5.158 0.436 202 1HB ASP 26 HB2 ASP 26 -11.132 -3.881 1.636 203 2HB ASP 26 HB1 ASP 26 -11.120 -2.737 0.296 204 H PHE 27 HN PHE 27 -14.689 -4.313 -0.485 205 HA PHE 27 HA PHE 27 -14.427 -3.266 -3.224 206 1HB PHE 27 HB2 PHE 27 -16.569 -4.708 -1.721 207 2HB PHE 27 HB1 PHE 27 -17.062 -3.590 -2.991 208 HD1 PHE 27 HD1 PHE 27 -14.950 -6.547 -2.305 209 HD2 PHE 27 HD2 PHE 27 -16.921 -4.186 -5.245 210 HE1 PHE 27 HE1 PHE 27 -14.440 -8.251 -4.004 211 HE2 PHE 27 HE2 PHE 27 -16.419 -5.887 -6.953 212 HZ PHE 27 HZ PHE 27 -15.176 -7.923 -6.333 213 H SER 28 HN SER 28 -14.390 -1.061 -3.341 214 HA SER 28 HA SER 28 -16.162 0.431 -1.525 215 1HB SER 28 HB2 SER 28 -14.479 2.018 -1.028 216 2HB SER 28 HB1 SER 28 -13.691 0.447 -0.876 217 HG SER 28 HG SER 28 -12.662 2.249 -2.186 218 H ALA 29 HN ALA 29 -15.737 2.905 -2.273 219 HA ALA 29 HA ALA 29 -15.905 3.240 -5.140 220 1HB ALA 29 HB1 ALA 29 -18.258 2.640 -4.139 221 2HB ALA 29 HB2 ALA 29 -18.086 3.881 -5.380 222 3HB ALA 29 HB3 ALA 29 -18.256 4.346 -3.688 223 H THR 30 HN THR 30 -16.066 5.565 -5.754 224 HA THR 30 HA THR 30 -14.270 7.116 -4.231 225 HB THR 30 HB THR 30 -16.207 8.291 -6.210 226 HG1 THR 30 HG1 THR 30 -14.981 7.510 -7.862 227 1HG2 THR 30 HG21 THR 30 -14.864 10.021 -5.605 228 2HG2 THR 30 HG22 THR 30 -13.900 9.335 -6.913 229 3HG2 THR 30 HG23 THR 30 -13.493 8.975 -5.235 230 H TRP 31 HN TRP 31 -17.737 6.833 -4.287 231 HA TRP 31 HA TRP 31 -18.088 9.141 -2.526 232 1HB TRP 31 HB2 TRP 31 -20.549 8.502 -2.724 233 2HB TRP 31 HB1 TRP 31 -19.751 9.077 -4.181 234 HD1 TRP 31 HD1 TRP 31 -19.696 7.497 -6.226 235 HE1 TRP 31 HE1 TRP 31 -20.722 5.215 -6.752 236 HE3 TRP 31 HE3 TRP 31 -21.054 6.135 -1.493 237 HZ2 TRP 31 HZ2 TRP 31 -21.910 3.058 -5.326 238 HZ3 TRP 31 HZ3 TRP 31 -22.127 3.944 -1.157 239 HH2 TRP 31 HH2 TRP 31 -22.547 2.439 -3.037 240 H CYS 32 HN CYS 32 -17.004 6.233 -1.859 241 HA CYS 32 HA CYS 32 -18.842 5.586 0.306 242 1HB CYS 32 HB2 CYS 32 -17.806 3.814 -1.157 243 2HB CYS 32 HB1 CYS 32 -16.263 4.180 -0.390 244 H GLY 33 HN GLY 33 -18.652 6.614 2.169 245 1HA GLY 33 HA2 GLY 33 -16.270 8.018 2.903 246 2HA GLY 33 HA1 GLY 33 -17.723 7.860 3.875 247 HA PRO 34 HA PRO 34 -16.047 4.804 6.572 248 1HB PRO 34 HB2 PRO 34 -17.553 2.554 5.342 249 2HB PRO 34 HB1 PRO 34 -17.514 3.100 7.022 250 1HG PRO 34 HG2 PRO 34 -19.630 3.590 5.471 251 2HG PRO 34 HG1 PRO 34 -19.061 4.783 6.653 252 1HD PRO 34 HD2 PRO 34 -18.723 4.747 3.684 253 2HD PRO 34 HD1 PRO 34 -18.987 6.122 4.776 254 H CYS 35 HN CYS 35 -16.142 3.845 3.195 255 HA CYS 35 HA CYS 35 -14.314 1.725 3.282 256 1HB CYS 35 HB2 CYS 35 -14.930 3.702 1.080 257 2HB CYS 35 HB1 CYS 35 -13.899 2.293 0.862 258 H LYS 36 HN LYS 36 -13.828 5.206 2.998 259 HA LYS 36 HA LYS 36 -11.025 5.100 2.546 260 1HB LYS 36 HB2 LYS 36 -12.983 7.226 3.315 261 2HB LYS 36 HB1 LYS 36 -11.264 7.551 3.491 262 1HG LYS 36 HG2 LYS 36 -10.880 7.504 1.231 263 2HG LYS 36 HG1 LYS 36 -12.274 6.473 0.905 264 1HD LYS 36 HD2 LYS 36 -13.012 8.505 0.110 265 2HD LYS 36 HD1 LYS 36 -13.633 8.530 1.762 266 1HE LYS 36 HE2 LYS 36 -10.927 9.653 1.193 267 2HE LYS 36 HE1 LYS 36 -12.359 10.598 0.787 268 1HZ LYS 36 HZ1 LYS 36 -12.037 9.423 3.475 269 2HZ LYS 36 HZ2 LYS 36 -12.992 10.734 2.998 270 3HZ LYS 36 HZ3 LYS 36 -11.312 10.902 3.087 271 H MET 37 HN MET 37 -12.969 4.741 5.345 272 HA MET 37 HA MET 37 -11.020 5.598 7.254 273 1HB MET 37 HB2 MET 37 -13.495 3.898 7.596 274 2HB MET 37 HB1 MET 37 -12.516 4.525 8.917 275 1HG MET 37 HG2 MET 37 -12.964 6.830 7.906 276 2HG MET 37 HG1 MET 37 -14.232 6.029 6.981 277 1HE MET 37 HE1 MET 37 -13.507 8.163 9.350 278 2HE MET 37 HE2 MET 37 -13.669 7.452 10.956 279 3HE MET 37 HE3 MET 37 -15.025 8.317 10.234 280 H ILE 38 HN ILE 38 -11.631 2.636 5.539 281 HA ILE 38 HA ILE 38 -10.005 1.042 7.357 282 HB ILE 38 HB ILE 38 -11.069 0.171 4.677 283 1HG1 ILE 38 HG12 ILE 38 -12.876 1.110 6.198 284 2HG1 ILE 38 HG11 ILE 38 -13.097 -0.555 5.675 285 1HG2 ILE 38 HG21 ILE 38 -9.725 -1.533 5.278 286 2HG2 ILE 38 HG22 ILE 38 -11.129 -2.008 6.233 287 3HG2 ILE 38 HG23 ILE 38 -9.798 -1.136 6.994 288 1HD1 ILE 38 HD11 ILE 38 -12.601 -1.404 7.783 289 2HD1 ILE 38 HD12 ILE 38 -13.583 0.025 8.108 290 3HD1 ILE 38 HD13 ILE 38 -11.831 0.094 8.307 291 H LYS 39 HN LYS 39 -9.668 2.782 4.364 292 HA LYS 39 HA LYS 39 -7.638 1.536 3.048 293 1HB LYS 39 HB2 LYS 39 -8.903 3.924 2.800 294 2HB LYS 39 HB1 LYS 39 -7.292 4.457 3.261 295 1HG LYS 39 HG2 LYS 39 -6.745 2.599 1.334 296 2HG LYS 39 HG1 LYS 39 -8.252 3.309 0.752 297 1HD LYS 39 HD2 LYS 39 -5.898 4.967 1.630 298 2HD LYS 39 HD1 LYS 39 -6.113 4.419 -0.033 299 1HE LYS 39 HE2 LYS 39 -7.929 5.776 -0.390 300 2HE LYS 39 HE1 LYS 39 -8.371 5.815 1.317 301 1HZ LYS 39 HZ1 LYS 39 -5.859 7.074 0.447 302 2HZ LYS 39 HZ2 LYS 39 -6.847 7.453 1.766 303 3HZ LYS 39 HZ3 LYS 39 -7.321 7.891 0.203 304 HA PRO 40 HA PRO 40 -4.317 3.878 5.767 305 1HB PRO 40 HB2 PRO 40 -5.824 4.173 8.298 306 2HB PRO 40 HB1 PRO 40 -4.739 5.312 7.495 307 1HG PRO 40 HG2 PRO 40 -7.376 5.709 7.499 308 2HG PRO 40 HG1 PRO 40 -6.395 6.090 6.070 309 1HD PRO 40 HD2 PRO 40 -8.151 3.716 6.585 310 2HD PRO 40 HD1 PRO 40 -7.956 4.671 5.100 311 H PHE 41 HN PHE 41 -6.656 1.932 7.638 312 HA PHE 41 HA PHE 41 -4.574 0.521 9.033 313 1HB PHE 41 HB2 PHE 41 -7.484 -0.254 8.890 314 2HB PHE 41 HB1 PHE 41 -6.327 -0.613 10.167 315 HD1 PHE 41 HD1 PHE 41 -5.227 1.590 11.220 316 HD2 PHE 41 HD2 PHE 41 -9.014 1.387 9.296 317 HE1 PHE 41 HE1 PHE 41 -5.942 3.613 12.425 318 HE2 PHE 41 HE2 PHE 41 -9.740 3.405 10.499 319 HZ PHE 41 HZ PHE 41 -8.202 4.522 12.065 320 H PHE 42 HN PHE 42 -6.524 -0.099 6.173 321 HA PHE 42 HA PHE 42 -6.085 -2.895 6.055 322 1HB PHE 42 HB2 PHE 42 -7.745 -1.324 4.734 323 2HB PHE 42 HB1 PHE 42 -6.426 -1.259 3.571 324 HD1 PHE 42 HD1 PHE 42 -8.292 -3.817 5.564 325 HD2 PHE 42 HD2 PHE 42 -6.479 -2.772 1.856 326 HE1 PHE 42 HE1 PHE 42 -9.063 -5.942 4.591 327 HE2 PHE 42 HE2 PHE 42 -7.243 -4.899 0.881 328 HZ PHE 42 HZ PHE 42 -8.540 -6.486 2.247 329 H HIS 43 HN HIS 43 -4.446 -0.127 4.575 330 HA HIS 43 HA HIS 43 -2.523 -1.629 3.164 331 1HB HIS 43 HB2 HIS 43 -3.228 1.060 3.363 332 2HB HIS 43 HB1 HIS 43 -1.565 1.000 3.940 333 HD1 HIS 43 HD1 HIS 43 -3.443 1.280 0.882 334 HD2 HIS 43 HD2 HIS 43 0.152 -0.469 2.011 335 HE1 HIS 43 HE1 HIS 43 -2.138 0.900 -1.251 336 H SER 44 HN SER 44 -2.481 -0.191 6.405 337 HA SER 44 HA SER 44 0.231 -0.602 6.963 338 1HB SER 44 HB2 SER 44 -0.451 -0.485 9.352 339 2HB SER 44 HB1 SER 44 -1.144 0.812 8.379 340 HG SER 44 HG SER 44 -2.429 -1.548 9.288 341 H LEU 45 HN LEU 45 -2.575 -2.704 7.453 342 HA LEU 45 HA LEU 45 -1.280 -4.764 8.833 343 1HB LEU 45 HB2 LEU 45 -3.684 -4.781 7.013 344 2HB LEU 45 HB1 LEU 45 -3.144 -6.209 7.872 345 HG LEU 45 HG LEU 45 -3.837 -3.660 9.311 346 1HD1 LEU 45 HD11 LEU 45 -5.746 -5.943 9.023 347 2HD1 LEU 45 HD12 LEU 45 -5.705 -4.649 7.826 348 3HD1 LEU 45 HD13 LEU 45 -6.058 -4.278 9.514 349 1HD2 LEU 45 HD21 LEU 45 -3.924 -4.977 11.238 350 2HD2 LEU 45 HD22 LEU 45 -2.498 -5.559 10.380 351 3HD2 LEU 45 HD23 LEU 45 -4.000 -6.480 10.319 352 H SER 46 HN SER 46 -1.738 -4.258 5.362 353 HA SER 46 HA SER 46 -0.760 -6.649 4.374 354 1HB SER 46 HB2 SER 46 -0.019 -4.110 2.973 355 2HB SER 46 HB1 SER 46 -0.644 -5.617 2.304 356 HG SER 46 HG SER 46 -2.167 -3.842 2.339 357 H GLU 47 HN GLU 47 0.979 -3.950 5.760 358 HA GLU 47 HA GLU 47 3.552 -4.990 4.884 359 1HB GLU 47 HB2 GLU 47 2.922 -2.499 5.067 360 2HB GLU 47 HB1 GLU 47 3.110 -2.710 6.802 361 1HG GLU 47 HG2 GLU 47 5.375 -2.983 6.667 362 2HG GLU 47 HG1 GLU 47 5.315 -3.584 5.010 363 H LYS 48 HN LYS 48 1.406 -5.154 7.560 364 HA LYS 48 HA LYS 48 3.480 -6.088 9.382 365 1HB LYS 48 HB2 LYS 48 1.605 -4.468 10.041 366 2HB LYS 48 HB1 LYS 48 0.543 -5.868 10.002 367 1HG LYS 48 HG2 LYS 48 2.441 -6.863 11.571 368 2HG LYS 48 HG1 LYS 48 2.671 -5.151 11.930 369 1HD LYS 48 HD2 LYS 48 1.120 -5.921 13.529 370 2HD LYS 48 HD1 LYS 48 0.160 -5.055 12.327 371 1HE LYS 48 HE2 LYS 48 -1.020 -7.052 12.784 372 2HE LYS 48 HE1 LYS 48 -0.241 -7.296 11.222 373 1HZ LYS 48 HZ1 LYS 48 1.515 -8.536 12.336 374 2HZ LYS 48 HZ2 LYS 48 0.004 -9.238 12.630 375 3HZ LYS 48 HZ3 LYS 48 0.754 -8.313 13.831 376 H TYR 49 HN TYR 49 1.796 -7.528 6.961 377 HA TYR 49 HA TYR 49 1.413 -10.020 8.486 378 1HB TYR 49 HB2 TYR 49 0.026 -8.871 6.117 379 2HB TYR 49 HB1 TYR 49 0.197 -10.621 6.195 380 HD1 TYR 49 HD1 TYR 49 -1.586 -11.755 7.072 381 HD2 TYR 49 HD2 TYR 49 -0.767 -7.841 8.530 382 HE1 TYR 49 HE1 TYR 49 -3.535 -11.906 8.561 383 HE2 TYR 49 HE2 TYR 49 -2.715 -7.983 10.021 384 HH TYR 49 HH TYR 49 -4.212 -10.767 10.827 385 H SER 50 HN SER 50 3.049 -8.532 5.792 386 HA SER 50 HA SER 50 4.494 -9.368 4.202 387 1HB SER 50 HB2 SER 50 5.824 -8.932 6.288 388 2HB SER 50 HB1 SER 50 5.695 -10.651 6.661 389 HG SER 50 HG SER 50 7.252 -9.359 4.782 390 H ASN 51 HN ASN 51 2.200 -11.095 4.441 391 HA ASN 51 HA ASN 51 3.383 -13.486 3.315 392 1HB ASN 51 HB2 ASN 51 3.015 -13.780 5.874 393 2HB ASN 51 HB1 ASN 51 1.310 -13.896 5.446 394 1HD2 ASN 51 HD21 ASN 51 0.878 -15.983 5.753 395 2HD2 ASN 51 HD22 ASN 51 1.700 -17.295 4.985 396 H VAL 52 HN VAL 52 0.464 -11.746 4.247 397 HA VAL 52 HA VAL 52 -1.076 -13.042 2.138 398 HB VAL 52 HB VAL 52 -3.012 -11.948 3.090 399 1HG1 VAL 52 HG11 VAL 52 -3.119 -13.073 5.150 400 2HG1 VAL 52 HG12 VAL 52 -1.386 -12.903 5.425 401 3HG1 VAL 52 HG13 VAL 52 -1.976 -14.000 4.178 402 1HG2 VAL 52 HG21 VAL 52 -2.518 -10.633 5.308 403 2HG2 VAL 52 HG22 VAL 52 -2.436 -9.824 3.745 404 3HG2 VAL 52 HG23 VAL 52 -0.955 -10.351 4.542 405 H ILE 53 HN ILE 53 -2.324 -11.801 0.629 406 HA ILE 53 HA ILE 53 -0.931 -9.339 -0.171 407 HB ILE 53 HB ILE 53 -1.025 -11.369 -1.735 408 1HG1 ILE 53 HG12 ILE 53 -1.700 -9.726 -3.698 409 2HG1 ILE 53 HG11 ILE 53 -1.654 -8.535 -2.401 410 1HG2 ILE 53 HG21 ILE 53 -3.670 -10.389 -2.652 411 2HG2 ILE 53 HG22 ILE 53 -3.619 -11.501 -1.285 412 3HG2 ILE 53 HG23 ILE 53 -2.923 -11.977 -2.833 413 1HD1 ILE 53 HD11 ILE 53 0.677 -10.229 -2.343 414 2HD1 ILE 53 HD12 ILE 53 0.562 -8.473 -2.451 415 3HD1 ILE 53 HD13 ILE 53 0.481 -9.454 -3.914 416 H PHE 54 HN PHE 54 -1.917 -7.525 0.233 417 HA PHE 54 HA PHE 54 -4.836 -7.441 0.573 418 1HB PHE 54 HB2 PHE 54 -2.512 -5.765 1.461 419 2HB PHE 54 HB1 PHE 54 -4.070 -4.993 1.281 420 HD1 PHE 54 HD1 PHE 54 -2.989 -8.272 2.774 421 HD2 PHE 54 HD2 PHE 54 -4.972 -4.538 3.298 422 HE1 PHE 54 HE1 PHE 54 -3.564 -8.893 5.089 423 HE2 PHE 54 HE2 PHE 54 -5.554 -5.160 5.603 424 HZ PHE 54 HZ PHE 54 -4.846 -7.339 6.502 425 H LEU 55 HN LEU 55 -5.953 -6.816 -1.289 426 HA LEU 55 HA LEU 55 -4.645 -4.733 -2.872 427 1HB LEU 55 HB2 LEU 55 -4.864 -5.750 -4.811 428 2HB LEU 55 HB1 LEU 55 -4.950 -7.213 -3.850 429 HG LEU 55 HG LEU 55 -7.593 -6.455 -4.046 430 1HD1 LEU 55 HD11 LEU 55 -7.027 -4.697 -5.655 431 2HD1 LEU 55 HD12 LEU 55 -7.966 -5.981 -6.414 432 3HD1 LEU 55 HD13 LEU 55 -6.225 -5.892 -6.672 433 1HD2 LEU 55 HD21 LEU 55 -7.690 -8.279 -5.755 434 2HD2 LEU 55 HD22 LEU 55 -6.814 -8.710 -4.285 435 3HD2 LEU 55 HD23 LEU 55 -5.927 -8.296 -5.753 436 H GLU 56 HN GLU 56 -6.147 -3.506 -4.282 437 HA GLU 56 HA GLU 56 -8.577 -2.933 -2.722 438 1HB GLU 56 HB2 GLU 56 -6.436 -1.370 -3.115 439 2HB GLU 56 HB1 GLU 56 -7.399 -0.905 -4.508 440 1HG GLU 56 HG2 GLU 56 -8.948 0.162 -3.256 441 2HG GLU 56 HG1 GLU 56 -8.799 -0.968 -1.910 442 H VAL 57 HN VAL 57 -10.436 -3.355 -3.721 443 HA VAL 57 HA VAL 57 -10.509 -3.057 -6.651 444 HB VAL 57 HB VAL 57 -12.509 -4.748 -5.197 445 1HG1 VAL 57 HG11 VAL 57 -11.490 -4.407 -7.982 446 2HG1 VAL 57 HG12 VAL 57 -13.150 -4.405 -7.388 447 3HG1 VAL 57 HG13 VAL 57 -12.256 -5.921 -7.506 448 1HG2 VAL 57 HG21 VAL 57 -11.184 -6.696 -5.360 449 2HG2 VAL 57 HG22 VAL 57 -10.140 -5.487 -4.615 450 3HG2 VAL 57 HG23 VAL 57 -9.957 -5.876 -6.325 451 H ASP 58 HN ASP 58 -11.658 -1.399 -7.322 452 HA ASP 58 HA ASP 58 -13.672 -0.226 -5.540 453 1HB ASP 58 HB2 ASP 58 -11.984 1.327 -6.354 454 2HB ASP 58 HB1 ASP 58 -12.298 0.849 -8.018 455 H VAL 59 HN VAL 59 -15.750 -0.695 -5.905 456 HA VAL 59 HA VAL 59 -16.580 -2.320 -8.015 457 HB VAL 59 HB VAL 59 -17.787 -2.142 -5.876 458 1HG1 VAL 59 HG11 VAL 59 -19.288 0.240 -6.752 459 2HG1 VAL 59 HG12 VAL 59 -17.655 0.517 -6.147 460 3HG1 VAL 59 HG13 VAL 59 -18.846 -0.295 -5.131 461 1HG2 VAL 59 HG21 VAL 59 -19.658 -1.458 -8.122 462 2HG2 VAL 59 HG22 VAL 59 -19.928 -2.542 -6.757 463 3HG2 VAL 59 HG23 VAL 59 -18.807 -3.001 -8.039 464 H ASP 60 HN ASP 60 -16.061 1.060 -7.961 465 HA ASP 60 HA ASP 60 -17.904 1.816 -9.980 466 1HB ASP 60 HB2 ASP 60 -16.394 3.258 -8.332 467 2HB ASP 60 HB1 ASP 60 -15.285 3.232 -9.700 468 H ASP 61 HN ASP 61 -14.615 0.601 -9.983 469 HA ASP 61 HA ASP 61 -14.546 0.630 -12.917 470 1HB ASP 61 HB2 ASP 61 -12.394 0.169 -10.845 471 2HB ASP 61 HB1 ASP 61 -12.134 -0.038 -12.574 472 H ALA 62 HN ALA 62 -14.514 -1.517 -10.146 473 HA ALA 62 HA ALA 62 -14.302 -3.879 -11.853 474 1HB ALA 62 HB1 ALA 62 -14.660 -4.305 -8.982 475 2HB ALA 62 HB2 ALA 62 -13.259 -3.315 -9.392 476 3HB ALA 62 HB3 ALA 62 -13.426 -4.931 -10.077 477 H GLN 63 HN GLN 63 -16.616 -2.439 -12.253 478 HA GLN 63 HA GLN 63 -18.796 -3.305 -10.672 479 1HB GLN 63 HB2 GLN 63 -18.595 -1.310 -12.338 480 2HB GLN 63 HB1 GLN 63 -19.102 -2.490 -13.539 481 1HG GLN 63 HG2 GLN 63 -20.892 -2.800 -11.431 482 2HG GLN 63 HG1 GLN 63 -20.661 -1.059 -11.585 483 1HE2 GLN 63 HE21 GLN 63 -22.646 -3.400 -12.457 484 2HE2 GLN 63 HE22 GLN 63 -23.171 -2.836 -14.003 485 H ASP 64 HN ASP 64 -16.921 -5.012 -12.886 486 HA ASP 64 HA ASP 64 -19.116 -6.750 -13.715 487 1HB ASP 64 HB2 ASP 64 -16.304 -6.340 -14.626 488 2HB ASP 64 HB1 ASP 64 -17.037 -7.921 -14.882 489 H VAL 65 HN VAL 65 -16.509 -6.662 -11.426 490 HA VAL 65 HA VAL 65 -16.442 -9.516 -11.046 491 HB VAL 65 HB VAL 65 -15.127 -8.883 -8.921 492 1HG1 VAL 65 HG11 VAL 65 -13.207 -8.030 -10.614 493 2HG1 VAL 65 HG12 VAL 65 -14.369 -8.695 -11.763 494 3HG1 VAL 65 HG13 VAL 65 -13.719 -9.712 -10.477 495 1HG2 VAL 65 HG21 VAL 65 -14.970 -6.225 -10.338 496 2HG2 VAL 65 HG22 VAL 65 -14.143 -6.694 -8.853 497 3HG2 VAL 65 HG23 VAL 65 -15.897 -6.516 -8.867 498 H ALA 66 HN ALA 66 -17.761 -6.751 -9.177 499 HA ALA 66 HA ALA 66 -18.711 -8.067 -6.979 500 1HB ALA 66 HB1 ALA 66 -19.296 -5.594 -8.367 501 2HB ALA 66 HB2 ALA 66 -19.255 -5.937 -6.638 502 3HB ALA 66 HB3 ALA 66 -20.723 -6.252 -7.563 503 HA PRO 67 HA PRO 67 -22.998 -8.853 -9.322 504 1HB PRO 67 HB2 PRO 67 -21.764 -9.100 -12.036 505 2HB PRO 67 HB1 PRO 67 -23.370 -8.512 -11.579 506 1HG PRO 67 HG2 PRO 67 -21.469 -6.786 -12.244 507 2HG PRO 67 HG1 PRO 67 -22.557 -6.441 -10.890 508 1HD PRO 67 HD2 PRO 67 -19.714 -7.358 -10.866 509 2HD PRO 67 HD1 PRO 67 -20.545 -6.220 -9.787 510 H LYS 68 HN LYS 68 -19.878 -10.165 -10.219 511 HA LYS 68 HA LYS 68 -20.868 -12.825 -10.715 512 1HB LYS 68 HB2 LYS 68 -18.191 -11.515 -10.663 513 2HB LYS 68 HB1 LYS 68 -18.257 -13.258 -10.446 514 1HG LYS 68 HG2 LYS 68 -19.528 -13.427 -12.571 515 2HG LYS 68 HG1 LYS 68 -19.298 -11.692 -12.797 516 1HD LYS 68 HD2 LYS 68 -17.012 -11.910 -13.128 517 2HD LYS 68 HD1 LYS 68 -16.945 -13.479 -12.326 518 1HE LYS 68 HE2 LYS 68 -18.423 -14.288 -14.280 519 2HE LYS 68 HE1 LYS 68 -17.905 -12.808 -15.086 520 1HZ LYS 68 HZ1 LYS 68 -15.559 -13.703 -14.339 521 2HZ LYS 68 HZ2 LYS 68 -16.282 -14.215 -15.779 522 3HZ LYS 68 HZ3 LYS 68 -16.359 -15.194 -14.402 523 H TYR 69 HN TYR 69 -19.861 -11.005 -7.938 524 HA TYR 69 HA TYR 69 -19.631 -13.449 -6.307 525 1HB TYR 69 HB2 TYR 69 -18.675 -10.615 -5.890 526 2HB TYR 69 HB1 TYR 69 -18.664 -11.826 -4.618 527 HD1 TYR 69 HD1 TYR 69 -17.386 -14.044 -5.171 528 HD2 TYR 69 HD2 TYR 69 -16.837 -10.387 -7.276 529 HE1 TYR 69 HE1 TYR 69 -15.204 -14.842 -5.978 530 HE2 TYR 69 HE2 TYR 69 -14.654 -11.172 -8.085 531 HH TYR 69 HH TYR 69 -13.652 -14.410 -7.826 532 H GLY 70 HN GLY 70 -21.813 -11.106 -7.136 533 1HA GLY 70 HA2 GLY 70 -23.877 -10.525 -6.319 534 2HA GLY 70 HA1 GLY 70 -23.723 -11.888 -5.226 535 H ILE 71 HN ILE 71 -21.527 -9.112 -5.262 536 HA ILE 71 HA ILE 71 -21.992 -8.676 -2.457 537 HB ILE 71 HB ILE 71 -20.391 -7.003 -4.405 538 1HG1 ILE 71 HG12 ILE 71 -19.327 -8.963 -2.377 539 2HG1 ILE 71 HG11 ILE 71 -19.700 -9.442 -4.027 540 1HG2 ILE 71 HG21 ILE 71 -20.647 -5.561 -2.655 541 2HG2 ILE 71 HG22 ILE 71 -19.244 -6.467 -2.089 542 3HG2 ILE 71 HG23 ILE 71 -20.851 -6.853 -1.473 543 1HD1 ILE 71 HD11 ILE 71 -17.553 -8.934 -4.393 544 2HD1 ILE 71 HD12 ILE 71 -17.451 -7.885 -2.978 545 3HD1 ILE 71 HD13 ILE 71 -18.152 -7.278 -4.479 546 H ARG 72 HN ARG 72 -23.163 -7.082 -1.480 547 HA ARG 72 HA ARG 72 -24.416 -5.021 -3.151 548 1HB ARG 72 HB2 ARG 72 -25.946 -7.023 -2.908 549 2HB ARG 72 HB1 ARG 72 -26.017 -6.666 -1.188 550 1HG ARG 72 HG2 ARG 72 -27.929 -5.669 -2.028 551 2HG ARG 72 HG1 ARG 72 -26.789 -4.327 -1.915 552 1HD ARG 72 HD2 ARG 72 -26.260 -5.165 -4.412 553 2HD ARG 72 HD1 ARG 72 -27.954 -5.641 -4.292 554 HE ARG 72 HE ARG 72 -27.599 -2.981 -3.386 555 1HH1 ARG 72 HH11 ARG 72 -27.757 -4.891 -6.303 556 2HH1 ARG 72 HH12 ARG 72 -28.291 -3.570 -7.286 557 1HH2 ARG 72 HH21 ARG 72 -28.299 -1.243 -4.677 558 2HH2 ARG 72 HH22 ARG 72 -28.594 -1.497 -6.365 559 H GLY 73 HN GLY 73 -22.846 -3.697 -2.049 560 1HA GLY 73 HA2 GLY 73 -23.519 -1.854 -0.366 561 2HA GLY 73 HA1 GLY 73 -23.458 -3.178 0.785 562 H ILE 74 HN ILE 74 -21.927 -0.929 1.156 563 HA ILE 74 HA ILE 74 -19.238 -2.056 1.042 564 HB ILE 74 HB ILE 74 -18.244 0.067 0.275 565 1HG1 ILE 74 HG12 ILE 74 -20.202 1.497 0.913 566 2HG1 ILE 74 HG11 ILE 74 -19.562 1.819 -0.692 567 1HG2 ILE 74 HG21 ILE 74 -20.187 -1.135 -1.687 568 2HG2 ILE 74 HG22 ILE 74 -18.586 -1.762 -1.295 569 3HG2 ILE 74 HG23 ILE 74 -18.749 -0.196 -2.088 570 1HD1 ILE 74 HD11 ILE 74 -21.473 0.060 -1.333 571 2HD1 ILE 74 HD12 ILE 74 -21.748 1.798 -1.224 572 3HD1 ILE 74 HD13 ILE 74 -22.182 0.751 0.127 573 HA PRO 75 HA PRO 75 -17.152 -1.044 1.489 574 1HB PRO 75 HB2 PRO 75 -15.674 -1.404 3.945 575 2HB PRO 75 HB1 PRO 75 -15.416 -0.200 2.687 576 1HG PRO 75 HG2 PRO 75 -16.286 0.414 5.199 577 2HG PRO 75 HG1 PRO 75 -16.678 1.382 3.766 578 1HD PRO 75 HD2 PRO 75 -18.340 -0.686 5.167 579 2HD PRO 75 HD1 PRO 75 -18.818 0.907 4.537 580 H THR 76 HN THR 76 -17.286 -3.145 0.804 581 HA THR 76 HA THR 76 -17.865 -5.229 2.729 582 HB THR 76 HB THR 76 -17.266 -6.077 -0.006 583 HG1 THR 76 HG1 THR 76 -19.450 -4.320 0.414 584 1HG2 THR 76 HG21 THR 76 -19.444 -6.477 1.977 585 2HG2 THR 76 HG22 THR 76 -18.445 -7.662 1.136 586 3HG2 THR 76 HG23 THR 76 -19.742 -6.832 0.275 587 H LEU 77 HN LEU 77 -16.480 -6.774 3.414 588 HA LEU 77 HA LEU 77 -13.704 -6.553 2.477 589 1HB LEU 77 HB2 LEU 77 -14.761 -6.562 5.100 590 2HB LEU 77 HB1 LEU 77 -13.981 -8.117 4.892 591 HG LEU 77 HG LEU 77 -11.889 -6.961 4.246 592 1HD1 LEU 77 HD11 LEU 77 -13.015 -4.395 5.252 593 2HD1 LEU 77 HD12 LEU 77 -13.291 -4.854 3.571 594 3HD1 LEU 77 HD13 LEU 77 -11.644 -4.685 4.181 595 1HD2 LEU 77 HD21 LEU 77 -12.544 -5.700 6.829 596 2HD2 LEU 77 HD22 LEU 77 -11.226 -6.790 6.395 597 3HD2 LEU 77 HD23 LEU 77 -12.834 -7.436 6.725 598 H LEU 78 HN LEU 78 -13.064 -8.111 1.188 599 HA LEU 78 HA LEU 78 -14.467 -10.700 1.309 600 1HB LEU 78 HB2 LEU 78 -13.373 -9.085 -0.959 601 2HB LEU 78 HB1 LEU 78 -13.411 -10.825 -1.117 602 HG LEU 78 HG LEU 78 -15.696 -8.888 -1.010 603 1HD1 LEU 78 HD11 LEU 78 -16.168 -9.652 -3.081 604 2HD1 LEU 78 HD12 LEU 78 -15.650 -11.297 -2.713 605 3HD1 LEU 78 HD13 LEU 78 -14.451 -10.054 -3.068 606 1HD2 LEU 78 HD21 LEU 78 -15.832 -11.815 -0.319 607 2HD2 LEU 78 HD22 LEU 78 -17.223 -10.840 -0.793 608 3HD2 LEU 78 HD23 LEU 78 -16.336 -10.452 0.681 609 H LEU 79 HN LEU 79 -13.318 -12.533 1.564 610 HA LEU 79 HA LEU 79 -10.382 -12.309 1.637 611 1HB LEU 79 HB2 LEU 79 -12.344 -13.703 3.387 612 2HB LEU 79 HB1 LEU 79 -10.822 -14.518 3.096 613 HG LEU 79 HG LEU 79 -10.921 -13.169 5.201 614 1HD1 LEU 79 HD11 LEU 79 -8.856 -12.721 3.088 615 2HD1 LEU 79 HD12 LEU 79 -8.765 -13.690 4.558 616 3HD1 LEU 79 HD13 LEU 79 -8.714 -11.931 4.659 617 1HD2 LEU 79 HD21 LEU 79 -12.196 -11.291 3.927 618 2HD2 LEU 79 HD22 LEU 79 -10.574 -10.724 3.528 619 3HD2 LEU 79 HD23 LEU 79 -11.066 -10.875 5.216 620 H PHE 80 HN PHE 80 -9.340 -13.460 0.125 621 HA PHE 80 HA PHE 80 -10.799 -15.685 -1.134 622 1HB PHE 80 HB2 PHE 80 -8.913 -13.627 -2.229 623 2HB PHE 80 HB1 PHE 80 -9.105 -15.168 -3.050 624 HD1 PHE 80 HD1 PHE 80 -10.786 -12.067 -2.041 625 HD2 PHE 80 HD2 PHE 80 -11.113 -15.690 -4.255 626 HE1 PHE 80 HE1 PHE 80 -12.811 -11.208 -3.141 627 HE2 PHE 80 HE2 PHE 80 -13.142 -14.835 -5.360 628 HZ PHE 80 HZ PHE 80 -13.991 -12.590 -4.800 629 H LYS 81 HN LYS 81 -9.723 -17.603 -1.558 630 HA LYS 81 HA LYS 81 -6.958 -17.924 -0.696 631 1HB LYS 81 HB2 LYS 81 -8.841 -18.399 1.149 632 2HB LYS 81 HB1 LYS 81 -8.876 -19.954 0.330 633 1HG LYS 81 HG2 LYS 81 -6.891 -20.584 1.170 634 2HG LYS 81 HG1 LYS 81 -6.193 -18.972 1.004 635 1HD LYS 81 HD2 LYS 81 -7.554 -18.266 2.980 636 2HD LYS 81 HD1 LYS 81 -8.027 -19.953 3.188 637 1HE LYS 81 HE2 LYS 81 -5.264 -18.769 3.397 638 2HE LYS 81 HE1 LYS 81 -6.209 -19.539 4.670 639 1HZ LYS 81 HZ1 LYS 81 -4.848 -20.795 2.373 640 2HZ LYS 81 HZ2 LYS 81 -6.110 -21.587 3.174 641 3HZ LYS 81 HZ3 LYS 81 -4.708 -21.161 4.019 642 H ASN 82 HN ASN 82 -6.048 -18.845 -2.437 643 HA ASN 82 HA ASN 82 -5.680 -20.245 -4.201 644 1HB ASN 82 HB2 ASN 82 -7.818 -22.027 -3.038 645 2HB ASN 82 HB1 ASN 82 -6.464 -22.494 -4.061 646 1HD2 ASN 82 HD21 ASN 82 -4.309 -21.483 -2.987 647 2HD2 ASN 82 HD22 ASN 82 -4.082 -21.996 -1.353 648 H GLY 83 HN GLY 83 -7.306 -18.136 -4.712 649 1HA GLY 83 HA2 GLY 83 -8.654 -17.378 -6.408 650 2HA GLY 83 HA1 GLY 83 -8.685 -19.018 -7.026 651 H GLU 84 HN GLU 84 -9.746 -19.146 -3.868 652 HA GLU 84 HA GLU 84 -12.547 -18.787 -4.708 653 1HB GLU 84 HB2 GLU 84 -11.497 -21.206 -4.291 654 2HB GLU 84 HB1 GLU 84 -11.897 -20.809 -2.626 655 1HG GLU 84 HG2 GLU 84 -14.231 -20.239 -3.550 656 2HG GLU 84 HG1 GLU 84 -13.728 -21.161 -4.966 657 H VAL 85 HN VAL 85 -13.932 -17.837 -3.296 658 HA VAL 85 HA VAL 85 -12.849 -16.181 -1.249 659 HB VAL 85 HB VAL 85 -15.766 -16.854 -1.678 660 1HG1 VAL 85 HG11 VAL 85 -14.271 -14.845 -0.073 661 2HG1 VAL 85 HG12 VAL 85 -15.752 -15.720 0.314 662 3HG1 VAL 85 HG13 VAL 85 -15.801 -14.356 -0.803 663 1HG2 VAL 85 HG21 VAL 85 -14.368 -14.449 -2.790 664 2HG2 VAL 85 HG22 VAL 85 -15.912 -15.154 -3.266 665 3HG2 VAL 85 HG23 VAL 85 -14.404 -15.967 -3.686 666 H ALA 86 HN ALA 86 -12.269 -16.868 0.767 667 HA ALA 86 HA ALA 86 -13.687 -19.182 1.886 668 1HB ALA 86 HB1 ALA 86 -11.766 -19.779 3.091 669 2HB ALA 86 HB2 ALA 86 -11.038 -18.187 2.879 670 3HB ALA 86 HB3 ALA 86 -11.163 -19.288 1.507 671 H ALA 87 HN ALA 87 -14.103 -16.112 1.976 672 HA ALA 87 HA ALA 87 -15.439 -16.036 4.428 673 1HB ALA 87 HB1 ALA 87 -12.638 -15.386 4.601 674 2HB ALA 87 HB2 ALA 87 -13.835 -15.561 5.884 675 3HB ALA 87 HB3 ALA 87 -13.638 -14.010 5.069 676 H THR 88 HN THR 88 -16.832 -14.332 4.508 677 HA THR 88 HA THR 88 -16.405 -12.126 2.622 678 HB THR 88 HB THR 88 -19.187 -13.094 2.880 679 HG1 THR 88 HG1 THR 88 -18.751 -15.022 2.235 680 1HG2 THR 88 HG21 THR 88 -19.496 -12.246 0.803 681 2HG2 THR 88 HG22 THR 88 -17.860 -12.642 0.276 682 3HG2 THR 88 HG23 THR 88 -18.137 -11.245 1.315 683 H LYS 89 HN LYS 89 -16.440 -10.289 3.755 684 HA LYS 89 HA LYS 89 -18.285 -10.106 6.039 685 1HB LYS 89 HB2 LYS 89 -15.502 -9.939 6.072 686 2HB LYS 89 HB1 LYS 89 -16.034 -8.265 6.144 687 1HG LYS 89 HG2 LYS 89 -15.791 -9.012 8.373 688 2HG LYS 89 HG1 LYS 89 -17.524 -8.923 8.049 689 1HD LYS 89 HD2 LYS 89 -17.731 -11.249 7.890 690 2HD LYS 89 HD1 LYS 89 -15.992 -11.481 7.698 691 1HE LYS 89 HE2 LYS 89 -15.574 -11.130 9.960 692 2HE LYS 89 HE1 LYS 89 -17.093 -10.268 10.202 693 1HZ LYS 89 HZ1 LYS 89 -18.283 -12.206 10.319 694 2HZ LYS 89 HZ2 LYS 89 -16.832 -12.697 11.037 695 3HZ LYS 89 HZ3 LYS 89 -17.159 -13.102 9.427 696 H VAL 90 HN VAL 90 -19.497 -8.278 6.238 697 HA VAL 90 HA VAL 90 -19.297 -6.330 4.038 698 HB VAL 90 HB VAL 90 -21.334 -7.689 3.889 699 1HG1 VAL 90 HG11 VAL 90 -23.068 -7.570 5.560 700 2HG1 VAL 90 HG12 VAL 90 -22.093 -6.477 6.542 701 3HG1 VAL 90 HG13 VAL 90 -21.576 -8.146 6.304 702 1HG2 VAL 90 HG21 VAL 90 -22.790 -5.923 3.423 703 2HG2 VAL 90 HG22 VAL 90 -21.188 -5.200 3.283 704 3HG2 VAL 90 HG23 VAL 90 -22.153 -4.929 4.734 705 H GLY 91 HN GLY 91 -19.601 -4.112 4.497 706 1HA GLY 91 HA2 GLY 91 -19.743 -2.226 5.807 707 2HA GLY 91 HA1 GLY 91 -20.191 -3.245 7.164 708 H ALA 92 HN ALA 92 -18.465 -1.052 7.364 709 HA ALA 92 HA ALA 92 -15.735 -1.814 7.273 710 1HB ALA 92 HB1 ALA 92 -16.117 0.481 7.193 711 2HB ALA 92 HB2 ALA 92 -15.482 0.217 8.817 712 3HB ALA 92 HB3 ALA 92 -17.214 0.444 8.574 713 H LEU 93 HN LEU 93 -14.307 -1.854 9.170 714 HA LEU 93 HA LEU 93 -15.441 -2.735 11.678 715 1HB LEU 93 HB2 LEU 93 -13.817 -4.792 11.537 716 2HB LEU 93 HB1 LEU 93 -15.444 -4.885 10.891 717 HG LEU 93 HG LEU 93 -13.398 -3.996 8.969 718 1HD1 LEU 93 HD11 LEU 93 -13.175 -6.555 10.441 719 2HD1 LEU 93 HD12 LEU 93 -11.926 -5.567 9.685 720 3HD1 LEU 93 HD13 LEU 93 -12.951 -6.604 8.693 721 1HD2 LEU 93 HD21 LEU 93 -14.667 -5.279 7.456 722 2HD2 LEU 93 HD22 LEU 93 -15.842 -4.521 8.531 723 3HD2 LEU 93 HD23 LEU 93 -15.410 -6.217 8.752 724 H SER 94 HN SER 94 -13.876 -2.814 13.390 725 HA SER 94 HA SER 94 -11.909 -0.809 13.204 726 1HB SER 94 HB2 SER 94 -12.600 -2.864 15.277 727 2HB SER 94 HB1 SER 94 -11.157 -1.869 15.464 728 HG SER 94 HG SER 94 -12.366 -0.161 15.833 729 H LYS 95 HN LYS 95 -9.614 -1.395 14.193 730 HA LYS 95 HA LYS 95 -8.277 -2.875 12.157 731 1HB LYS 95 HB2 LYS 95 -7.273 -0.889 13.203 732 2HB LYS 95 HB1 LYS 95 -7.207 -1.730 14.745 733 1HG LYS 95 HG2 LYS 95 -5.168 -2.400 14.202 734 2HG LYS 95 HG1 LYS 95 -5.896 -3.414 12.955 735 1HD LYS 95 HD2 LYS 95 -5.413 -1.930 11.274 736 2HD LYS 95 HD1 LYS 95 -5.421 -0.536 12.356 737 1HE LYS 95 HE2 LYS 95 -3.301 -2.674 12.410 738 2HE LYS 95 HE1 LYS 95 -3.164 -1.198 11.457 739 1HZ LYS 95 HZ1 LYS 95 -2.182 -0.442 13.311 740 2HZ LYS 95 HZ2 LYS 95 -2.916 -1.584 14.319 741 3HZ LYS 95 HZ3 LYS 95 -3.768 -0.200 13.850 742 H GLY 96 HN GLY 96 -9.294 -3.560 15.440 743 1HA GLY 96 HA2 GLY 96 -7.697 -5.921 15.689 744 2HA GLY 96 HA1 GLY 96 -8.977 -5.415 16.773 745 H GLN 97 HN GLN 97 -10.972 -5.277 14.585 746 HA GLN 97 HA GLN 97 -11.728 -8.050 14.669 747 1HB GLN 97 HB2 GLN 97 -13.089 -5.890 13.065 748 2HB GLN 97 HB1 GLN 97 -13.769 -7.402 13.651 749 1HG GLN 97 HG2 GLN 97 -14.079 -6.619 15.758 750 2HG GLN 97 HG1 GLN 97 -12.726 -5.493 15.661 751 1HE2 GLN 97 HE21 GLN 97 -14.519 -4.201 16.731 752 2HE2 GLN 97 HE22 GLN 97 -15.516 -3.261 15.679 753 H LEU 98 HN LEU 98 -10.294 -5.891 12.331 754 HA LEU 98 HA LEU 98 -10.701 -7.621 10.088 755 1HB LEU 98 HB2 LEU 98 -9.914 -5.012 10.347 756 2HB LEU 98 HB1 LEU 98 -8.390 -5.797 9.971 757 HG LEU 98 HG LEU 98 -10.761 -6.406 8.272 758 1HD1 LEU 98 HD11 LEU 98 -10.816 -3.983 8.433 759 2HD1 LEU 98 HD12 LEU 98 -10.261 -4.486 6.836 760 3HD1 LEU 98 HD13 LEU 98 -9.101 -3.901 8.029 761 1HD2 LEU 98 HD21 LEU 98 -8.651 -7.610 7.968 762 2HD2 LEU 98 HD22 LEU 98 -7.826 -6.078 7.678 763 3HD2 LEU 98 HD23 LEU 98 -9.066 -6.639 6.557 764 H LYS 99 HN LYS 99 -7.940 -6.858 12.173 765 HA LYS 99 HA LYS 99 -6.146 -8.720 11.073 766 1HB LYS 99 HB2 LYS 99 -5.802 -6.746 12.789 767 2HB LYS 99 HB1 LYS 99 -6.016 -8.024 13.978 768 1HG LYS 99 HG2 LYS 99 -4.220 -9.220 12.423 769 2HG LYS 99 HG1 LYS 99 -3.801 -7.541 12.082 770 1HD LYS 99 HD2 LYS 99 -2.448 -8.137 13.907 771 2HD LYS 99 HD1 LYS 99 -3.775 -7.212 14.612 772 1HE LYS 99 HE2 LYS 99 -4.815 -9.686 14.747 773 2HE LYS 99 HE1 LYS 99 -3.101 -10.077 14.875 774 1HZ LYS 99 HZ1 LYS 99 -4.525 -9.519 16.978 775 2HZ LYS 99 HZ2 LYS 99 -4.164 -7.923 16.549 776 3HZ LYS 99 HZ3 LYS 99 -2.913 -9.016 16.866 777 H GLU 100 HN GLU 100 -8.398 -8.982 13.816 778 HA GLU 100 HA GLU 100 -7.626 -11.575 14.600 779 1HB GLU 100 HB2 GLU 100 -9.562 -11.639 15.956 780 2HB GLU 100 HB1 GLU 100 -9.067 -9.955 15.927 781 1HG GLU 100 HG2 GLU 100 -11.350 -9.835 15.691 782 2HG GLU 100 HG1 GLU 100 -10.780 -9.712 14.030 783 H PHE 101 HN PHE 101 -10.053 -10.432 12.291 784 HA PHE 101 HA PHE 101 -11.157 -12.951 11.659 785 1HB PHE 101 HB2 PHE 101 -12.157 -10.719 11.107 786 2HB PHE 101 HB1 PHE 101 -10.915 -10.513 9.877 787 HD1 PHE 101 HD1 PHE 101 -13.228 -13.280 10.866 788 HD2 PHE 101 HD2 PHE 101 -11.722 -10.794 7.758 789 HE1 PHE 101 HE1 PHE 101 -14.650 -14.459 9.241 790 HE2 PHE 101 HE2 PHE 101 -13.141 -11.970 6.127 791 HZ PHE 101 HZ PHE 101 -14.606 -13.805 6.868 792 H LEU 102 HN LEU 102 -8.500 -11.060 10.311 793 HA LEU 102 HA LEU 102 -7.913 -12.797 8.161 794 1HB LEU 102 HB2 LEU 102 -6.785 -10.410 9.358 795 2HB LEU 102 HB1 LEU 102 -5.521 -11.529 8.876 796 HG LEU 102 HG LEU 102 -7.711 -10.545 7.045 797 1HD1 LEU 102 HD11 LEU 102 -6.328 -8.914 6.237 798 2HD1 LEU 102 HD12 LEU 102 -4.862 -9.735 6.771 799 3HD1 LEU 102 HD13 LEU 102 -5.880 -8.897 7.942 800 1HD2 LEU 102 HD21 LEU 102 -6.658 -11.685 5.329 801 2HD2 LEU 102 HD22 LEU 102 -6.522 -12.812 6.677 802 3HD2 LEU 102 HD23 LEU 102 -5.139 -11.822 6.213 803 H ASP 103 HN ASP 103 -6.170 -12.331 11.244 804 HA ASP 103 HA ASP 103 -4.399 -14.428 11.055 805 1HB ASP 103 HB2 ASP 103 -5.012 -12.625 13.011 806 2HB ASP 103 HB1 ASP 103 -5.579 -14.124 13.743 807 H ALA 104 HN ALA 104 -7.815 -14.511 11.819 808 HA ALA 104 HA ALA 104 -7.866 -17.223 12.717 809 1HB ALA 104 HB1 ALA 104 -10.139 -15.508 11.727 810 2HB ALA 104 HB2 ALA 104 -9.567 -15.600 13.392 811 3HB ALA 104 HB3 ALA 104 -10.282 -17.018 12.628 812 H ASN 105 HN ASN 105 -7.856 -15.734 9.590 813 HA ASN 105 HA ASN 105 -8.724 -18.263 8.354 814 1HB ASN 105 HB2 ASN 105 -9.633 -15.734 7.847 815 2HB ASN 105 HB1 ASN 105 -8.407 -15.919 6.596 816 1HD2 ASN 105 HD21 ASN 105 -10.191 -15.793 5.113 817 2HD2 ASN 105 HD22 ASN 105 -11.131 -17.205 4.779 818 H LEU 106 HN LEU 106 -6.078 -16.014 8.603 819 HA LEU 106 HA LEU 106 -4.569 -17.020 6.392 820 1HB LEU 106 HB2 LEU 106 -4.236 -14.768 7.302 821 2HB LEU 106 HB1 LEU 106 -3.695 -15.455 8.818 822 HG LEU 106 HG LEU 106 -1.906 -14.566 7.232 823 1HD1 LEU 106 HD11 LEU 106 -1.681 -16.238 9.194 824 2HD1 LEU 106 HD12 LEU 106 -0.342 -16.043 8.062 825 3HD1 LEU 106 HD13 LEU 106 -1.421 -17.430 7.921 826 1HD2 LEU 106 HD21 LEU 106 -3.067 -15.852 5.275 827 2HD2 LEU 106 HD22 LEU 106 -2.089 -17.202 5.849 828 3HD2 LEU 106 HD23 LEU 106 -1.310 -15.709 5.330 829 H VAL 107 HN VAL 107 -3.779 -19.014 6.329 830 HA VAL 107 HA VAL 107 -2.124 -20.005 8.469 831 HB VAL 107 HB VAL 107 -3.377 -22.205 8.580 832 1HG1 VAL 107 HG11 VAL 107 -3.396 -20.238 10.270 833 2HG1 VAL 107 HG12 VAL 107 -4.578 -21.536 10.441 834 3HG1 VAL 107 HG13 VAL 107 -5.052 -20.002 9.711 835 1HG2 VAL 107 HG21 VAL 107 -5.795 -20.657 7.740 836 2HG2 VAL 107 HG22 VAL 107 -5.569 -22.402 7.854 837 3HG2 VAL 107 HG23 VAL 107 -4.812 -21.499 6.542 Start of MODEL 2 1 1H MET 1 HT1 MET 1 2.723 -7.518 -2.357 2 2H MET 1 HT2 MET 1 2.007 -6.926 -0.914 3 3H MET 1 HT3 MET 1 3.690 -6.725 -1.185 4 HA MET 1 HA MET 1 2.736 -4.684 -1.599 5 1HB MET 1 HB2 MET 1 3.535 -6.351 -3.936 6 2HB MET 1 HB1 MET 1 2.889 -4.747 -4.260 7 1HG MET 1 HG2 MET 1 5.013 -4.977 -2.210 8 2HG MET 1 HG1 MET 1 5.475 -5.200 -3.897 9 1HE MET 1 HE1 MET 1 6.890 -1.938 -3.806 10 2HE MET 1 HE2 MET 1 6.190 -2.517 -5.317 11 3HE MET 1 HE3 MET 1 6.929 -3.660 -4.195 12 H VAL 2 HN VAL 2 0.982 -3.473 -1.988 13 HA VAL 2 HA VAL 2 -1.495 -4.828 -2.658 14 HB VAL 2 HB VAL 2 -1.055 -1.926 -1.933 15 1HG1 VAL 2 HG11 VAL 2 -3.280 -1.619 -1.997 16 2HG1 VAL 2 HG12 VAL 2 -3.618 -3.211 -1.316 17 3HG1 VAL 2 HG13 VAL 2 -3.281 -3.041 -3.036 18 1HG2 VAL 2 HG21 VAL 2 -1.018 -4.333 -0.311 19 2HG2 VAL 2 HG22 VAL 2 -2.232 -3.175 0.230 20 3HG2 VAL 2 HG23 VAL 2 -0.543 -2.684 0.099 21 H LYS 3 HN LYS 3 -2.826 -4.319 -4.393 22 HA LYS 3 HA LYS 3 -1.885 -2.364 -6.331 23 1HB LYS 3 HB2 LYS 3 -2.339 -4.170 -8.148 24 2HB LYS 3 HB1 LYS 3 -0.790 -4.155 -7.320 25 1HG LYS 3 HG2 LYS 3 -1.766 -5.894 -5.755 26 2HG LYS 3 HG1 LYS 3 -3.101 -6.027 -6.902 27 1HD LYS 3 HD2 LYS 3 -1.865 -7.176 -8.386 28 2HD LYS 3 HD1 LYS 3 -0.451 -6.147 -8.144 29 1HE LYS 3 HE2 LYS 3 0.175 -8.302 -7.411 30 2HE LYS 3 HE1 LYS 3 -0.109 -7.358 -5.950 31 1HZ LYS 3 HZ1 LYS 3 -2.098 -9.196 -7.167 32 2HZ LYS 3 HZ2 LYS 3 -2.239 -8.388 -5.687 33 3HZ LYS 3 HZ3 LYS 3 -1.082 -9.609 -5.878 34 H GLN 4 HN GLN 4 -3.540 -1.185 -6.915 35 HA GLN 4 HA GLN 4 -6.205 -1.924 -6.240 36 1HB GLN 4 HB2 GLN 4 -5.519 0.395 -6.133 37 2HB GLN 4 HB1 GLN 4 -5.105 0.396 -7.841 38 1HG GLN 4 HG2 GLN 4 -7.203 0.823 -8.455 39 2HG GLN 4 HG1 GLN 4 -7.862 -0.386 -7.353 40 1HE2 GLN 4 HE21 GLN 4 -9.328 0.531 -6.128 41 2HE2 GLN 4 HE22 GLN 4 -9.195 2.058 -5.332 42 H ILE 5 HN ILE 5 -7.725 -2.855 -7.485 43 HA ILE 5 HA ILE 5 -6.974 -3.571 -10.236 44 HB ILE 5 HB ILE 5 -8.480 -4.957 -8.102 45 1HG1 ILE 5 HG12 ILE 5 -7.309 -6.850 -8.869 46 2HG1 ILE 5 HG11 ILE 5 -7.072 -6.163 -10.471 47 1HG2 ILE 5 HG21 ILE 5 -9.302 -5.203 -10.987 48 2HG2 ILE 5 HG22 ILE 5 -10.314 -4.735 -9.621 49 3HG2 ILE 5 HG23 ILE 5 -9.697 -6.382 -9.738 50 1HD1 ILE 5 HD11 ILE 5 -5.162 -6.287 -8.602 51 2HD1 ILE 5 HD12 ILE 5 -5.828 -4.695 -8.241 52 3HD1 ILE 5 HD13 ILE 5 -5.216 -5.050 -9.855 53 H GLU 6 HN GLU 6 -7.749 -2.197 -11.679 54 HA GLU 6 HA GLU 6 -10.363 -0.959 -11.252 55 1HB GLU 6 HB2 GLU 6 -7.938 -0.219 -12.817 56 2HB GLU 6 HB1 GLU 6 -9.499 0.366 -13.377 57 1HG GLU 6 HG2 GLU 6 -9.880 1.377 -11.163 58 2HG GLU 6 HG1 GLU 6 -8.272 0.849 -10.669 59 H SER 7 HN SER 7 -9.786 -3.763 -12.305 60 HA SER 7 HA SER 7 -11.760 -3.667 -14.413 61 1HB SER 7 HB2 SER 7 -8.889 -4.204 -14.937 62 2HB SER 7 HB1 SER 7 -10.051 -5.263 -15.738 63 HG SER 7 HG SER 7 -9.349 -3.111 -16.736 64 H LYS 8 HN LYS 8 -12.466 -5.848 -15.076 65 HA LYS 8 HA LYS 8 -12.680 -7.560 -12.791 66 1HB LYS 8 HB2 LYS 8 -14.584 -7.278 -14.269 67 2HB LYS 8 HB1 LYS 8 -13.658 -7.886 -15.634 68 1HG LYS 8 HG2 LYS 8 -13.426 -10.039 -14.251 69 2HG LYS 8 HG1 LYS 8 -14.745 -9.382 -13.279 70 1HD LYS 8 HD2 LYS 8 -15.733 -10.780 -14.928 71 2HD LYS 8 HD1 LYS 8 -16.042 -9.112 -15.417 72 1HE LYS 8 HE2 LYS 8 -14.469 -9.197 -17.135 73 2HE LYS 8 HE1 LYS 8 -13.654 -10.601 -16.447 74 1HZ LYS 8 HZ1 LYS 8 -15.148 -10.937 -18.477 75 2HZ LYS 8 HZ2 LYS 8 -16.441 -10.783 -17.398 76 3HZ LYS 8 HZ3 LYS 8 -15.311 -12.022 -17.190 77 H THR 9 HN THR 9 -10.708 -7.450 -15.650 78 HA THR 9 HA THR 9 -9.838 -10.193 -15.461 79 HB THR 9 HB THR 9 -8.469 -7.999 -17.007 80 HG1 THR 9 HG1 THR 9 -9.901 -8.352 -18.651 81 1HG2 THR 9 HG21 THR 9 -7.342 -9.594 -18.062 82 2HG2 THR 9 HG22 THR 9 -8.783 -10.593 -18.261 83 3HG2 THR 9 HG23 THR 9 -7.859 -10.667 -16.760 84 H ALA 10 HN ALA 10 -8.756 -7.060 -14.353 85 HA ALA 10 HA ALA 10 -6.116 -7.782 -13.639 86 1HB ALA 10 HB1 ALA 10 -6.050 -5.730 -12.406 87 2HB ALA 10 HB2 ALA 10 -7.811 -5.651 -12.339 88 3HB ALA 10 HB3 ALA 10 -6.977 -5.442 -13.879 89 H PHE 11 HN PHE 11 -9.202 -7.920 -11.922 90 HA PHE 11 HA PHE 11 -8.249 -8.523 -9.359 91 1HB PHE 11 HB2 PHE 11 -10.673 -8.054 -10.155 92 2HB PHE 11 HB1 PHE 11 -10.748 -9.779 -10.496 93 HD1 PHE 11 HD1 PHE 11 -9.153 -7.939 -7.685 94 HD2 PHE 11 HD2 PHE 11 -12.148 -10.703 -8.906 95 HE1 PHE 11 HE1 PHE 11 -9.691 -8.386 -5.329 96 HE2 PHE 11 HE2 PHE 11 -12.692 -11.156 -6.550 97 HZ PHE 11 HZ PHE 11 -11.461 -9.999 -4.757 98 H GLN 12 HN GLN 12 -8.925 -10.610 -12.122 99 HA GLN 12 HA GLN 12 -8.386 -13.066 -10.809 100 1HB GLN 12 HB2 GLN 12 -8.048 -12.492 -13.757 101 2HB GLN 12 HB1 GLN 12 -8.349 -14.050 -13.004 102 1HG GLN 12 HG2 GLN 12 -10.383 -12.045 -12.407 103 2HG GLN 12 HG1 GLN 12 -10.239 -12.431 -14.121 104 1HE2 GLN 12 HE21 GLN 12 -9.769 -14.480 -11.279 105 2HE2 GLN 12 HE22 GLN 12 -11.005 -15.621 -11.677 106 H GLU 13 HN GLU 13 -6.423 -10.840 -12.732 107 HA GLU 13 HA GLU 13 -4.076 -12.322 -12.872 108 1HB GLU 13 HB2 GLU 13 -4.731 -9.416 -13.018 109 2HB GLU 13 HB1 GLU 13 -3.041 -9.894 -12.910 110 1HG GLU 13 HG2 GLU 13 -3.378 -11.342 -14.891 111 2HG GLU 13 HG1 GLU 13 -5.017 -10.709 -15.027 112 H ALA 14 HN ALA 14 -5.115 -9.974 -10.404 113 HA ALA 14 HA ALA 14 -2.755 -10.176 -8.845 114 1HB ALA 14 HB1 ALA 14 -4.168 -9.125 -7.059 115 2HB ALA 14 HB2 ALA 14 -5.533 -9.224 -8.171 116 3HB ALA 14 HB3 ALA 14 -4.128 -8.243 -8.587 117 H LEU 15 HN LEU 15 -5.789 -11.935 -8.921 118 HA LEU 15 HA LEU 15 -5.491 -13.310 -6.466 119 1HB LEU 15 HB2 LEU 15 -7.136 -13.664 -8.925 120 2HB LEU 15 HB1 LEU 15 -6.993 -15.029 -7.838 121 HG LEU 15 HG LEU 15 -8.073 -12.299 -7.123 122 1HD1 LEU 15 HD11 LEU 15 -10.202 -13.269 -7.085 123 2HD1 LEU 15 HD12 LEU 15 -9.556 -14.909 -7.142 124 3HD1 LEU 15 HD13 LEU 15 -9.465 -13.878 -8.568 125 1HD2 LEU 15 HD21 LEU 15 -7.385 -14.702 -5.494 126 2HD2 LEU 15 HD22 LEU 15 -8.782 -13.726 -5.043 127 3HD2 LEU 15 HD23 LEU 15 -7.182 -12.992 -5.120 128 H ASP 16 HN ASP 16 -4.580 -14.079 -9.799 129 HA ASP 16 HA ASP 16 -3.557 -16.666 -9.279 130 1HB ASP 16 HB2 ASP 16 -4.163 -15.571 -11.541 131 2HB ASP 16 HB1 ASP 16 -2.552 -14.864 -11.478 132 H ALA 17 HN ALA 17 -2.284 -13.471 -8.899 133 HA ALA 17 HA ALA 17 0.459 -14.034 -8.885 134 1HB ALA 17 HB1 ALA 17 0.778 -11.902 -7.931 135 2HB ALA 17 HB2 ALA 17 -0.820 -11.910 -7.185 136 3HB ALA 17 HB3 ALA 17 -0.665 -11.758 -8.936 137 H ALA 18 HN ALA 18 -1.836 -13.862 -6.138 138 HA ALA 18 HA ALA 18 0.126 -14.629 -4.213 139 1HB ALA 18 HB1 ALA 18 -1.751 -13.523 -3.344 140 2HB ALA 18 HB2 ALA 18 -1.956 -15.199 -2.830 141 3HB ALA 18 HB3 ALA 18 -2.878 -14.576 -4.201 142 H GLY 19 HN GLY 19 -2.705 -16.428 -5.378 143 1HA GLY 19 HA2 GLY 19 -2.839 -18.638 -6.149 144 2HA GLY 19 HA1 GLY 19 -1.124 -18.830 -5.815 145 H ASP 20 HN ASP 20 -0.470 -19.237 -3.593 146 HA ASP 20 HA ASP 20 -2.526 -20.766 -2.178 147 1HB ASP 20 HB2 ASP 20 -0.361 -21.864 -2.729 148 2HB ASP 20 HB1 ASP 20 0.460 -20.699 -1.694 149 H LYS 21 HN LYS 21 -0.808 -17.824 -1.943 150 HA LYS 21 HA LYS 21 -0.926 -17.551 0.892 151 1HB LYS 21 HB2 LYS 21 -0.487 -15.581 -1.353 152 2HB LYS 21 HB1 LYS 21 -0.552 -15.086 0.333 153 1HG LYS 21 HG2 LYS 21 1.397 -16.279 0.871 154 2HG LYS 21 HG1 LYS 21 1.349 -17.194 -0.637 155 1HD LYS 21 HD2 LYS 21 1.687 -15.018 -1.848 156 2HD LYS 21 HD1 LYS 21 1.977 -14.269 -0.276 157 1HE LYS 21 HE2 LYS 21 3.797 -15.926 0.101 158 2HE LYS 21 HE1 LYS 21 3.559 -16.492 -1.552 159 1HZ LYS 21 HZ1 LYS 21 5.343 -14.940 -1.543 160 2HZ LYS 21 HZ2 LYS 21 4.438 -13.792 -0.691 161 3HZ LYS 21 HZ3 LYS 21 4.024 -14.180 -2.285 162 H LEU 22 HN LEU 22 -2.298 -16.061 2.030 163 HA LEU 22 HA LEU 22 -5.023 -16.250 1.150 164 1HB LEU 22 HB2 LEU 22 -4.598 -16.587 3.466 165 2HB LEU 22 HB1 LEU 22 -3.682 -15.100 3.587 166 HG LEU 22 HG LEU 22 -5.620 -13.765 3.558 167 1HD1 LEU 22 HD11 LEU 22 -6.736 -15.956 2.041 168 2HD1 LEU 22 HD12 LEU 22 -7.253 -14.273 2.136 169 3HD1 LEU 22 HD13 LEU 22 -7.829 -15.440 3.325 170 1HD2 LEU 22 HD21 LEU 22 -6.598 -16.153 5.074 171 2HD2 LEU 22 HD22 LEU 22 -6.724 -14.443 5.488 172 3HD2 LEU 22 HD23 LEU 22 -5.166 -15.264 5.597 173 H VAL 23 HN VAL 23 -6.265 -14.658 0.283 174 HA VAL 23 HA VAL 23 -4.950 -12.062 -0.144 175 HB VAL 23 HB VAL 23 -7.118 -13.213 -1.884 176 1HG1 VAL 23 HG11 VAL 23 -5.658 -11.498 -3.406 177 2HG1 VAL 23 HG12 VAL 23 -5.563 -10.728 -1.823 178 3HG1 VAL 23 HG13 VAL 23 -7.135 -11.066 -2.545 179 1HG2 VAL 23 HG21 VAL 23 -4.161 -13.593 -1.975 180 2HG2 VAL 23 HG22 VAL 23 -5.064 -13.481 -3.485 181 3HG2 VAL 23 HG23 VAL 23 -5.454 -14.742 -2.317 182 H VAL 24 HN VAL 24 -5.701 -10.602 1.172 183 HA VAL 24 HA VAL 24 -8.569 -10.594 1.805 184 HB VAL 24 HB VAL 24 -7.134 -10.650 3.788 185 1HG1 VAL 24 HG11 VAL 24 -5.480 -8.950 2.283 186 2HG1 VAL 24 HG12 VAL 24 -5.199 -9.578 3.906 187 3HG1 VAL 24 HG13 VAL 24 -6.003 -8.024 3.691 188 1HG2 VAL 24 HG21 VAL 24 -9.229 -8.976 3.389 189 2HG2 VAL 24 HG22 VAL 24 -7.990 -7.846 3.938 190 3HG2 VAL 24 HG23 VAL 24 -8.433 -9.225 4.944 191 H VAL 25 HN VAL 25 -9.728 -9.233 0.653 192 HA VAL 25 HA VAL 25 -8.445 -6.758 -0.283 193 HB VAL 25 HB VAL 25 -9.969 -6.996 -2.326 194 1HG1 VAL 25 HG11 VAL 25 -7.494 -7.350 -2.272 195 2HG1 VAL 25 HG12 VAL 25 -8.334 -8.298 -3.500 196 3HG1 VAL 25 HG13 VAL 25 -7.800 -9.065 -2.006 197 1HG2 VAL 25 HG21 VAL 25 -9.868 -9.921 -1.737 198 2HG2 VAL 25 HG22 VAL 25 -10.904 -9.039 -2.861 199 3HG2 VAL 25 HG23 VAL 25 -11.205 -8.946 -1.125 200 H ASP 26 HN ASP 26 -10.058 -5.105 -1.009 201 HA ASP 26 HA ASP 26 -12.474 -5.150 0.674 202 1HB ASP 26 HB2 ASP 26 -10.586 -3.833 1.707 203 2HB ASP 26 HB1 ASP 26 -10.710 -2.721 0.347 204 H PHE 27 HN PHE 27 -14.292 -4.441 -0.247 205 HA PHE 27 HA PHE 27 -14.147 -3.426 -3.008 206 1HB PHE 27 HB2 PHE 27 -16.135 -4.981 -1.442 207 2HB PHE 27 HB1 PHE 27 -16.786 -3.828 -2.604 208 HD1 PHE 27 HD1 PHE 27 -14.349 -6.615 -2.305 209 HD2 PHE 27 HD2 PHE 27 -16.946 -4.398 -4.845 210 HE1 PHE 27 HE1 PHE 27 -13.905 -8.201 -4.133 211 HE2 PHE 27 HE2 PHE 27 -16.514 -5.986 -6.678 212 HZ PHE 27 HZ PHE 27 -14.989 -7.888 -6.322 213 H SER 28 HN SER 28 -14.094 -1.237 -3.091 214 HA SER 28 HA SER 28 -15.789 0.243 -1.188 215 1HB SER 28 HB2 SER 28 -13.268 1.314 -2.451 216 2HB SER 28 HB1 SER 28 -14.162 1.975 -1.081 217 HG SER 28 HG SER 28 -13.214 0.596 0.206 218 H ALA 29 HN ALA 29 -15.589 2.734 -2.188 219 HA ALA 29 HA ALA 29 -16.354 2.771 -4.987 220 1HB ALA 29 HB1 ALA 29 -18.391 4.114 -3.370 221 2HB ALA 29 HB2 ALA 29 -18.366 2.363 -3.173 222 3HB ALA 29 HB3 ALA 29 -18.568 3.067 -4.777 223 H THR 30 HN THR 30 -16.496 4.962 -5.844 224 HA THR 30 HA THR 30 -14.657 6.745 -4.559 225 HB THR 30 HB THR 30 -15.856 8.244 -6.525 226 HG1 THR 30 HG1 THR 30 -17.177 6.572 -7.212 227 1HG2 THR 30 HG21 THR 30 -13.584 8.167 -6.691 228 2HG2 THR 30 HG22 THR 30 -14.042 7.130 -8.041 229 3HG2 THR 30 HG23 THR 30 -13.517 6.414 -6.518 230 H TRP 31 HN TRP 31 -18.102 6.457 -4.922 231 HA TRP 31 HA TRP 31 -18.697 9.000 -3.651 232 1HB TRP 31 HB2 TRP 31 -21.028 8.386 -4.036 233 2HB TRP 31 HB1 TRP 31 -20.091 8.092 -5.501 234 HD1 TRP 31 HD1 TRP 31 -19.564 5.476 -6.103 235 HE1 TRP 31 HE1 TRP 31 -20.821 3.313 -5.447 236 HE3 TRP 31 HE3 TRP 31 -22.440 7.299 -2.285 237 HZ2 TRP 31 HZ2 TRP 31 -22.771 2.506 -3.608 238 HZ3 TRP 31 HZ3 TRP 31 -23.973 5.760 -1.130 239 HH2 TRP 31 HH2 TRP 31 -24.131 3.413 -1.782 240 H CYS 32 HN CYS 32 -17.475 6.374 -2.300 241 HA CYS 32 HA CYS 32 -19.418 6.069 -0.155 242 1HB CYS 32 HB2 CYS 32 -18.192 4.092 -1.211 243 2HB CYS 32 HB1 CYS 32 -16.762 4.659 -0.351 244 H GLY 33 HN GLY 33 -18.798 6.189 2.073 245 1HA GLY 33 HA2 GLY 33 -16.773 8.289 2.524 246 2HA GLY 33 HA1 GLY 33 -18.215 8.069 3.506 247 HA PRO 34 HA PRO 34 -16.183 5.408 6.371 248 1HB PRO 34 HB2 PRO 34 -17.920 3.102 5.710 249 2HB PRO 34 HB1 PRO 34 -17.694 3.935 7.252 250 1HG PRO 34 HG2 PRO 34 -19.936 4.247 5.841 251 2HG PRO 34 HG1 PRO 34 -19.210 5.605 6.724 252 1HD PRO 34 HD2 PRO 34 -19.115 4.978 3.797 253 2HD PRO 34 HD1 PRO 34 -19.320 6.546 4.606 254 H CYS 35 HN CYS 35 -16.636 4.183 3.147 255 HA CYS 35 HA CYS 35 -15.071 1.865 3.272 256 1HB CYS 35 HB2 CYS 35 -15.493 3.759 0.950 257 2HB CYS 35 HB1 CYS 35 -14.813 2.142 0.819 258 H LYS 36 HN LYS 36 -14.191 5.221 2.616 259 HA LYS 36 HA LYS 36 -11.451 4.711 2.079 260 1HB LYS 36 HB2 LYS 36 -13.134 7.110 2.563 261 2HB LYS 36 HB1 LYS 36 -11.402 7.288 2.811 262 1HG LYS 36 HG2 LYS 36 -10.930 7.122 0.612 263 2HG LYS 36 HG1 LYS 36 -12.221 5.959 0.309 264 1HD LYS 36 HD2 LYS 36 -12.838 7.936 -0.836 265 2HD LYS 36 HD1 LYS 36 -13.844 7.878 0.614 266 1HE LYS 36 HE2 LYS 36 -12.054 9.340 1.699 267 2HE LYS 36 HE1 LYS 36 -11.440 9.597 0.066 268 1HZ LYS 36 HZ1 LYS 36 -12.908 11.372 0.587 269 2HZ LYS 36 HZ2 LYS 36 -14.123 10.317 1.105 270 3HZ LYS 36 HZ3 LYS 36 -13.707 10.384 -0.532 271 H MET 37 HN MET 37 -13.229 4.745 4.980 272 HA MET 37 HA MET 37 -11.169 5.666 6.732 273 1HB MET 37 HB2 MET 37 -13.657 4.045 7.292 274 2HB MET 37 HB1 MET 37 -12.600 4.708 8.530 275 1HG MET 37 HG2 MET 37 -13.065 6.974 7.630 276 2HG MET 37 HG1 MET 37 -14.239 6.247 6.534 277 1HE MET 37 HE1 MET 37 -13.544 8.032 9.344 278 2HE MET 37 HE2 MET 37 -13.819 6.960 10.717 279 3HE MET 37 HE3 MET 37 -15.057 8.124 10.245 280 H ILE 38 HN ILE 38 -11.909 2.609 5.265 281 HA ILE 38 HA ILE 38 -10.337 1.076 7.157 282 HB ILE 38 HB ILE 38 -11.379 0.144 4.490 283 1HG1 ILE 38 HG12 ILE 38 -13.163 1.179 5.963 284 2HG1 ILE 38 HG11 ILE 38 -13.430 -0.503 5.516 285 1HG2 ILE 38 HG21 ILE 38 -9.845 -1.412 5.354 286 2HG2 ILE 38 HG22 ILE 38 -11.438 -2.052 5.760 287 3HG2 ILE 38 HG23 ILE 38 -10.471 -1.242 6.993 288 1HD1 ILE 38 HD11 ILE 38 -13.989 -0.099 7.844 289 2HD1 ILE 38 HD12 ILE 38 -12.346 0.466 8.151 290 3HD1 ILE 38 HD13 ILE 38 -12.632 -1.215 7.704 291 H LYS 39 HN LYS 39 -9.830 2.730 4.162 292 HA LYS 39 HA LYS 39 -7.784 1.358 2.962 293 1HB LYS 39 HB2 LYS 39 -8.500 4.245 3.127 294 2HB LYS 39 HB1 LYS 39 -6.954 3.811 2.409 295 1HG LYS 39 HG2 LYS 39 -8.060 2.432 0.764 296 2HG LYS 39 HG1 LYS 39 -9.624 2.739 1.522 297 1HD LYS 39 HD2 LYS 39 -9.681 4.292 -0.163 298 2HD LYS 39 HD1 LYS 39 -8.947 5.254 1.121 299 1HE LYS 39 HE2 LYS 39 -6.703 4.528 0.190 300 2HE LYS 39 HE1 LYS 39 -7.589 3.916 -1.206 301 1HZ LYS 39 HZ1 LYS 39 -7.266 6.707 -0.308 302 2HZ LYS 39 HZ2 LYS 39 -8.560 6.269 -1.304 303 3HZ LYS 39 HZ3 LYS 39 -6.971 6.042 -1.835 304 HA PRO 40 HA PRO 40 -4.472 3.943 5.552 305 1HB PRO 40 HB2 PRO 40 -5.548 4.398 8.120 306 2HB PRO 40 HB1 PRO 40 -5.194 5.611 6.889 307 1HG PRO 40 HG2 PRO 40 -7.775 4.310 7.581 308 2HG PRO 40 HG1 PRO 40 -7.462 5.952 6.990 309 1HD PRO 40 HD2 PRO 40 -8.491 4.066 5.390 310 2HD PRO 40 HD1 PRO 40 -7.331 5.264 4.777 311 H PHE 41 HN PHE 41 -6.811 1.998 7.436 312 HA PHE 41 HA PHE 41 -4.714 0.645 8.851 313 1HB PHE 41 HB2 PHE 41 -7.601 -0.212 8.692 314 2HB PHE 41 HB1 PHE 41 -6.444 -0.535 9.978 315 HD1 PHE 41 HD1 PHE 41 -5.378 1.785 10.940 316 HD2 PHE 41 HD2 PHE 41 -9.226 1.307 9.190 317 HE1 PHE 41 HE1 PHE 41 -6.170 3.781 12.142 318 HE2 PHE 41 HE2 PHE 41 -10.025 3.298 10.389 319 HZ PHE 41 HZ PHE 41 -8.497 4.540 11.868 320 H PHE 42 HN PHE 42 -6.602 -0.024 5.965 321 HA PHE 42 HA PHE 42 -6.110 -2.808 5.843 322 1HB PHE 42 HB2 PHE 42 -7.734 -1.264 4.445 323 2HB PHE 42 HB1 PHE 42 -6.362 -1.174 3.349 324 HD1 PHE 42 HD1 PHE 42 -8.455 -3.663 5.161 325 HD2 PHE 42 HD2 PHE 42 -6.114 -2.793 1.712 326 HE1 PHE 42 HE1 PHE 42 -9.133 -5.806 4.162 327 HE2 PHE 42 HE2 PHE 42 -6.796 -4.931 0.706 328 HZ PHE 42 HZ PHE 42 -8.307 -6.442 1.931 329 H HIS 43 HN HIS 43 -4.443 -0.014 4.455 330 HA HIS 43 HA HIS 43 -2.469 -1.505 3.096 331 1HB HIS 43 HB2 HIS 43 -3.208 1.163 3.220 332 2HB HIS 43 HB1 HIS 43 -1.583 1.148 3.901 333 HD1 HIS 43 HD1 HIS 43 -3.255 1.389 0.734 334 HD2 HIS 43 HD2 HIS 43 0.262 -0.354 2.093 335 HE1 HIS 43 HE1 HIS 43 -1.816 1.006 -1.311 336 H SER 44 HN SER 44 -2.549 -0.115 6.369 337 HA SER 44 HA SER 44 0.166 -0.499 6.964 338 1HB SER 44 HB2 SER 44 -2.317 -0.088 8.552 339 2HB SER 44 HB1 SER 44 -0.921 -0.744 9.405 340 HG SER 44 HG SER 44 -0.744 1.448 9.527 341 H LEU 45 HN LEU 45 -2.638 -2.629 7.371 342 HA LEU 45 HA LEU 45 -1.340 -4.713 8.717 343 1HB LEU 45 HB2 LEU 45 -3.693 -4.732 6.829 344 2HB LEU 45 HB1 LEU 45 -3.160 -6.154 7.703 345 HG LEU 45 HG LEU 45 -3.868 -3.640 9.178 346 1HD1 LEU 45 HD11 LEU 45 -5.824 -3.972 7.908 347 2HD1 LEU 45 HD12 LEU 45 -6.144 -4.715 9.476 348 3HD1 LEU 45 HD13 LEU 45 -5.737 -5.725 8.087 349 1HD2 LEU 45 HD21 LEU 45 -3.895 -6.571 9.890 350 2HD2 LEU 45 HD22 LEU 45 -4.400 -5.260 10.957 351 3HD2 LEU 45 HD23 LEU 45 -2.722 -5.369 10.426 352 H SER 46 HN SER 46 -1.813 -4.132 5.257 353 HA SER 46 HA SER 46 -0.712 -6.446 4.214 354 1HB SER 46 HB2 SER 46 -0.515 -5.292 2.169 355 2HB SER 46 HB1 SER 46 -1.835 -4.469 2.999 356 HG SER 46 HG SER 46 -0.687 -2.717 2.994 357 H GLU 47 HN GLU 47 0.895 -3.730 5.713 358 HA GLU 47 HA GLU 47 3.497 -4.480 4.700 359 1HB GLU 47 HB2 GLU 47 2.591 -2.097 5.302 360 2HB GLU 47 HB1 GLU 47 3.084 -2.530 6.932 361 1HG GLU 47 HG2 GLU 47 5.339 -3.149 5.746 362 2HG GLU 47 HG1 GLU 47 4.742 -2.041 4.512 363 H LYS 48 HN LYS 48 1.534 -5.169 7.452 364 HA LYS 48 HA LYS 48 3.821 -6.172 8.982 365 1HB LYS 48 HB2 LYS 48 2.096 -4.853 10.161 366 2HB LYS 48 HB1 LYS 48 0.885 -6.048 9.713 367 1HG LYS 48 HG2 LYS 48 2.347 -7.732 10.961 368 2HG LYS 48 HG1 LYS 48 3.172 -6.325 11.635 369 1HD LYS 48 HD2 LYS 48 1.401 -5.738 12.930 370 2HD LYS 48 HD1 LYS 48 0.216 -6.306 11.751 371 1HE LYS 48 HE2 LYS 48 -0.075 -7.884 13.375 372 2HE LYS 48 HE1 LYS 48 1.196 -8.664 12.435 373 1HZ LYS 48 HZ1 LYS 48 1.585 -8.665 14.866 374 2HZ LYS 48 HZ2 LYS 48 1.697 -6.978 14.826 375 3HZ LYS 48 HZ3 LYS 48 2.826 -7.919 13.988 376 H TYR 49 HN TYR 49 1.395 -7.228 6.842 377 HA TYR 49 HA TYR 49 1.601 -10.024 7.704 378 1HB TYR 49 HB2 TYR 49 -0.320 -8.471 6.027 379 2HB TYR 49 HB1 TYR 49 -0.134 -10.192 5.703 380 HD1 TYR 49 HD1 TYR 49 -1.158 -11.801 7.088 381 HD2 TYR 49 HD2 TYR 49 -1.007 -7.738 8.341 382 HE1 TYR 49 HE1 TYR 49 -2.700 -12.321 8.930 383 HE2 TYR 49 HE2 TYR 49 -2.548 -8.245 10.189 384 HH TYR 49 HH TYR 49 -3.302 -11.401 11.147 385 H SER 50 HN SER 50 3.647 -10.590 6.960 386 HA SER 50 HA SER 50 4.297 -10.180 4.148 387 1HB SER 50 HB2 SER 50 5.865 -11.370 6.448 388 2HB SER 50 HB1 SER 50 6.476 -11.265 4.797 389 HG SER 50 HG SER 50 5.644 -9.075 6.401 390 H ASN 51 HN ASN 51 2.116 -11.712 4.267 391 HA ASN 51 HA ASN 51 3.036 -14.223 3.175 392 1HB ASN 51 HB2 ASN 51 2.481 -14.330 5.796 393 2HB ASN 51 HB1 ASN 51 0.850 -14.529 5.165 394 1HD2 ASN 51 HD21 ASN 51 0.637 -16.633 5.818 395 2HD2 ASN 51 HD22 ASN 51 1.523 -17.935 5.109 396 H VAL 52 HN VAL 52 0.285 -12.220 4.126 397 HA VAL 52 HA VAL 52 -1.367 -13.325 1.995 398 HB VAL 52 HB VAL 52 -3.197 -12.135 2.977 399 1HG1 VAL 52 HG11 VAL 52 -1.747 -12.945 5.439 400 2HG1 VAL 52 HG12 VAL 52 -2.004 -14.155 4.183 401 3HG1 VAL 52 HG13 VAL 52 -3.383 -13.333 4.912 402 1HG2 VAL 52 HG21 VAL 52 -1.116 -10.389 3.954 403 2HG2 VAL 52 HG22 VAL 52 -2.211 -10.862 5.252 404 3HG2 VAL 52 HG23 VAL 52 -2.847 -10.099 3.795 405 H ILE 53 HN ILE 53 -2.456 -11.986 0.469 406 HA ILE 53 HA ILE 53 -0.891 -9.611 -0.264 407 HB ILE 53 HB ILE 53 -1.200 -11.686 -1.830 408 1HG1 ILE 53 HG12 ILE 53 -1.331 -10.001 -3.816 409 2HG1 ILE 53 HG11 ILE 53 -1.309 -8.782 -2.544 410 1HG2 ILE 53 HG21 ILE 53 -3.704 -11.626 -1.648 411 2HG2 ILE 53 HG22 ILE 53 -3.060 -11.678 -3.288 412 3HG2 ILE 53 HG23 ILE 53 -3.663 -10.159 -2.627 413 1HD1 ILE 53 HD11 ILE 53 0.830 -9.397 -1.844 414 2HD1 ILE 53 HD12 ILE 53 0.908 -9.443 -3.605 415 3HD1 ILE 53 HD13 ILE 53 0.759 -10.943 -2.689 416 H PHE 54 HN PHE 54 -1.749 -7.763 0.255 417 HA PHE 54 HA PHE 54 -4.643 -7.472 0.613 418 1HB PHE 54 HB2 PHE 54 -2.207 -5.957 1.466 419 2HB PHE 54 HB1 PHE 54 -3.705 -5.079 1.303 420 HD1 PHE 54 HD1 PHE 54 -2.505 -8.264 2.931 421 HD2 PHE 54 HD2 PHE 54 -4.907 -4.750 3.167 422 HE1 PHE 54 HE1 PHE 54 -3.144 -8.840 5.241 423 HE2 PHE 54 HE2 PHE 54 -5.551 -5.336 5.464 424 HZ PHE 54 HZ PHE 54 -4.668 -7.380 6.503 425 H LEU 55 HN LEU 55 -5.785 -6.737 -1.163 426 HA LEU 55 HA LEU 55 -4.491 -4.635 -2.716 427 1HB LEU 55 HB2 LEU 55 -4.661 -5.588 -4.695 428 2HB LEU 55 HB1 LEU 55 -4.674 -7.080 -3.775 429 HG LEU 55 HG LEU 55 -7.359 -6.427 -3.963 430 1HD1 LEU 55 HD11 LEU 55 -6.871 -4.643 -5.548 431 2HD1 LEU 55 HD12 LEU 55 -7.716 -5.969 -6.346 432 3HD1 LEU 55 HD13 LEU 55 -5.976 -5.776 -6.561 433 1HD2 LEU 55 HD21 LEU 55 -6.278 -8.638 -4.226 434 2HD2 LEU 55 HD22 LEU 55 -5.745 -8.154 -5.836 435 3HD2 LEU 55 HD23 LEU 55 -7.468 -8.303 -5.485 436 H GLU 56 HN GLU 56 -6.086 -3.477 -4.169 437 HA GLU 56 HA GLU 56 -8.553 -3.056 -2.609 438 1HB GLU 56 HB2 GLU 56 -6.488 -1.372 -2.833 439 2HB GLU 56 HB1 GLU 56 -7.412 -0.885 -4.246 440 1HG GLU 56 HG2 GLU 56 -9.339 -0.403 -2.868 441 2HG GLU 56 HG1 GLU 56 -8.490 -0.987 -1.436 442 H VAL 57 HN VAL 57 -10.398 -3.360 -3.669 443 HA VAL 57 HA VAL 57 -10.366 -3.056 -6.599 444 HB VAL 57 HB VAL 57 -12.442 -4.713 -5.225 445 1HG1 VAL 57 HG11 VAL 57 -11.217 -5.309 -7.861 446 2HG1 VAL 57 HG12 VAL 57 -12.266 -3.897 -7.726 447 3HG1 VAL 57 HG13 VAL 57 -12.886 -5.496 -7.317 448 1HG2 VAL 57 HG21 VAL 57 -11.137 -6.687 -5.337 449 2HG2 VAL 57 HG22 VAL 57 -10.136 -5.493 -4.510 450 3HG2 VAL 57 HG23 VAL 57 -9.840 -5.868 -6.208 451 H ASP 58 HN ASP 58 -11.484 -1.388 -7.320 452 HA ASP 58 HA ASP 58 -13.530 -0.190 -5.600 453 1HB ASP 58 HB2 ASP 58 -11.847 1.363 -6.400 454 2HB ASP 58 HB1 ASP 58 -12.096 0.841 -8.064 455 H VAL 59 HN VAL 59 -15.589 -0.701 -5.970 456 HA VAL 59 HA VAL 59 -16.398 -2.317 -8.096 457 HB VAL 59 HB VAL 59 -17.617 -2.231 -5.981 458 1HG1 VAL 59 HG11 VAL 59 -17.442 0.460 -6.157 459 2HG1 VAL 59 HG12 VAL 59 -18.562 -0.395 -5.099 460 3HG1 VAL 59 HG13 VAL 59 -19.112 0.203 -6.663 461 1HG2 VAL 59 HG21 VAL 59 -19.667 -2.708 -6.885 462 2HG2 VAL 59 HG22 VAL 59 -18.653 -2.785 -8.325 463 3HG2 VAL 59 HG23 VAL 59 -19.616 -1.343 -8.002 464 H ASP 60 HN ASP 60 -15.942 1.076 -7.981 465 HA ASP 60 HA ASP 60 -17.789 1.902 -9.938 466 1HB ASP 60 HB2 ASP 60 -16.049 3.224 -8.365 467 2HB ASP 60 HB1 ASP 60 -15.117 3.210 -9.858 468 H ASP 61 HN ASP 61 -14.523 0.635 -10.097 469 HA ASP 61 HA ASP 61 -14.600 0.589 -13.030 470 1HB ASP 61 HB2 ASP 61 -12.353 0.052 -11.073 471 2HB ASP 61 HB1 ASP 61 -12.195 -0.059 -12.822 472 H ALA 62 HN ALA 62 -14.475 -1.469 -10.207 473 HA ALA 62 HA ALA 62 -14.371 -3.886 -11.832 474 1HB ALA 62 HB1 ALA 62 -13.369 -4.831 -10.076 475 2HB ALA 62 HB2 ALA 62 -14.647 -4.308 -8.979 476 3HB ALA 62 HB3 ALA 62 -13.310 -3.222 -9.361 477 H GLN 63 HN GLN 63 -16.692 -2.378 -12.155 478 HA GLN 63 HA GLN 63 -18.811 -3.228 -10.481 479 1HB GLN 63 HB2 GLN 63 -18.546 -1.314 -12.385 480 2HB GLN 63 HB1 GLN 63 -19.474 -2.516 -13.268 481 1HG GLN 63 HG2 GLN 63 -20.536 -2.090 -10.614 482 2HG GLN 63 HG1 GLN 63 -20.453 -0.589 -11.535 483 1HE2 GLN 63 HE21 GLN 63 -21.774 -3.817 -11.431 484 2HE2 GLN 63 HE22 GLN 63 -23.052 -3.543 -12.561 485 H ASP 64 HN ASP 64 -17.033 -4.942 -12.776 486 HA ASP 64 HA ASP 64 -19.268 -6.674 -13.509 487 1HB ASP 64 HB2 ASP 64 -16.413 -6.489 -14.460 488 2HB ASP 64 HB1 ASP 64 -17.465 -7.829 -14.904 489 H VAL 65 HN VAL 65 -16.562 -6.592 -11.331 490 HA VAL 65 HA VAL 65 -16.482 -9.447 -10.971 491 HB VAL 65 HB VAL 65 -15.111 -8.815 -8.866 492 1HG1 VAL 65 HG11 VAL 65 -14.236 -8.300 -11.696 493 2HG1 VAL 65 HG12 VAL 65 -14.030 -9.764 -10.735 494 3HG1 VAL 65 HG13 VAL 65 -13.116 -8.309 -10.336 495 1HG2 VAL 65 HG21 VAL 65 -14.105 -6.643 -8.849 496 2HG2 VAL 65 HG22 VAL 65 -15.857 -6.448 -8.826 497 3HG2 VAL 65 HG23 VAL 65 -14.960 -6.184 -10.322 498 H ALA 66 HN ALA 66 -17.754 -6.693 -9.040 499 HA ALA 66 HA ALA 66 -18.630 -8.034 -6.826 500 1HB ALA 66 HB1 ALA 66 -20.674 -6.204 -7.472 501 2HB ALA 66 HB2 ALA 66 -19.170 -5.532 -8.101 502 3HB ALA 66 HB3 ALA 66 -19.299 -5.959 -6.395 503 HA PRO 67 HA PRO 67 -22.980 -8.830 -9.065 504 1HB PRO 67 HB2 PRO 67 -21.837 -9.000 -11.819 505 2HB PRO 67 HB1 PRO 67 -23.426 -8.430 -11.294 506 1HG PRO 67 HG2 PRO 67 -21.543 -6.688 -11.991 507 2HG PRO 67 HG1 PRO 67 -22.605 -6.363 -10.612 508 1HD PRO 67 HD2 PRO 67 -19.756 -7.238 -10.659 509 2HD PRO 67 HD1 PRO 67 -20.590 -6.150 -9.532 510 H LYS 68 HN LYS 68 -19.882 -10.080 -10.115 511 HA LYS 68 HA LYS 68 -20.855 -12.733 -10.669 512 1HB LYS 68 HB2 LYS 68 -18.281 -11.322 -10.807 513 2HB LYS 68 HB1 LYS 68 -18.146 -13.010 -10.333 514 1HG LYS 68 HG2 LYS 68 -19.259 -13.721 -12.339 515 2HG LYS 68 HG1 LYS 68 -19.602 -12.051 -12.789 516 1HD LYS 68 HD2 LYS 68 -17.411 -11.616 -13.371 517 2HD LYS 68 HD1 LYS 68 -16.774 -12.892 -12.332 518 1HE LYS 68 HE2 LYS 68 -18.005 -14.493 -13.950 519 2HE LYS 68 HE1 LYS 68 -18.031 -13.111 -15.044 520 1HZ LYS 68 HZ1 LYS 68 -15.582 -14.269 -13.827 521 2HZ LYS 68 HZ2 LYS 68 -15.638 -13.000 -14.942 522 3HZ LYS 68 HZ3 LYS 68 -16.108 -14.556 -15.409 523 H TYR 69 HN TYR 69 -19.786 -10.984 -7.881 524 HA TYR 69 HA TYR 69 -19.530 -13.467 -6.306 525 1HB TYR 69 HB2 TYR 69 -18.511 -10.661 -5.881 526 2HB TYR 69 HB1 TYR 69 -18.515 -11.871 -4.607 527 HD1 TYR 69 HD1 TYR 69 -17.365 -14.169 -5.275 528 HD2 TYR 69 HD2 TYR 69 -16.638 -10.439 -7.192 529 HE1 TYR 69 HE1 TYR 69 -15.219 -15.025 -6.118 530 HE2 TYR 69 HE2 TYR 69 -14.492 -11.280 -8.040 531 HH TYR 69 HH TYR 69 -13.681 -14.469 -8.137 532 H GLY 70 HN GLY 70 -21.749 -11.140 -7.027 533 1HA GLY 70 HA2 GLY 70 -23.786 -10.585 -6.125 534 2HA GLY 70 HA1 GLY 70 -23.563 -11.934 -5.028 535 H ILE 71 HN ILE 71 -21.450 -9.083 -5.204 536 HA ILE 71 HA ILE 71 -21.755 -8.657 -2.377 537 HB ILE 71 HB ILE 71 -20.361 -6.929 -4.435 538 1HG1 ILE 71 HG12 ILE 71 -19.131 -8.872 -2.471 539 2HG1 ILE 71 HG11 ILE 71 -19.475 -9.283 -4.146 540 1HG2 ILE 71 HG21 ILE 71 -20.901 -5.637 -2.475 541 2HG2 ILE 71 HG22 ILE 71 -19.172 -5.986 -2.477 542 3HG2 ILE 71 HG23 ILE 71 -20.254 -6.895 -1.422 543 1HD1 ILE 71 HD11 ILE 71 -18.047 -6.987 -4.426 544 2HD1 ILE 71 HD12 ILE 71 -17.383 -8.618 -4.517 545 3HD1 ILE 71 HD13 ILE 71 -17.299 -7.716 -3.004 546 H ARG 72 HN ARG 72 -23.028 -7.189 -1.336 547 HA ARG 72 HA ARG 72 -24.240 -4.996 -2.795 548 1HB ARG 72 HB2 ARG 72 -25.721 -7.088 -3.037 549 2HB ARG 72 HB1 ARG 72 -26.091 -6.863 -1.333 550 1HG ARG 72 HG2 ARG 72 -27.836 -5.787 -2.415 551 2HG ARG 72 HG1 ARG 72 -26.741 -4.469 -1.998 552 1HD ARG 72 HD2 ARG 72 -26.253 -4.021 -4.152 553 2HD ARG 72 HD1 ARG 72 -26.257 -5.723 -4.614 554 HE ARG 72 HE ARG 72 -28.875 -4.692 -4.055 555 1HH1 ARG 72 HH11 ARG 72 -26.406 -5.003 -6.501 556 2HH1 ARG 72 HH12 ARG 72 -27.519 -4.880 -7.820 557 1HH2 ARG 72 HH21 ARG 72 -30.345 -4.534 -5.790 558 2HH2 ARG 72 HH22 ARG 72 -29.758 -4.614 -7.418 559 H GLY 73 HN GLY 73 -22.411 -4.655 -0.896 560 1HA GLY 73 HA2 GLY 73 -23.667 -2.998 0.983 561 2HA GLY 73 HA1 GLY 73 -23.320 -4.529 1.768 562 H ILE 74 HN ILE 74 -22.076 -1.529 0.752 563 HA ILE 74 HA ILE 74 -19.304 -2.379 1.218 564 HB ILE 74 HB ILE 74 -18.727 -0.104 0.316 565 1HG1 ILE 74 HG12 ILE 74 -21.483 0.041 -0.828 566 2HG1 ILE 74 HG11 ILE 74 -21.236 0.614 0.819 567 1HG2 ILE 74 HG21 ILE 74 -20.266 -2.047 -1.396 568 2HG2 ILE 74 HG22 ILE 74 -18.524 -1.984 -1.131 569 3HG2 ILE 74 HG23 ILE 74 -19.321 -0.708 -2.050 570 1HD1 ILE 74 HD11 ILE 74 -19.182 1.743 -0.717 571 2HD1 ILE 74 HD12 ILE 74 -20.587 2.550 -0.022 572 3HD1 ILE 74 HD13 ILE 74 -20.661 1.909 -1.662 573 HA PRO 75 HA PRO 75 -17.402 -1.121 1.495 574 1HB PRO 75 HB2 PRO 75 -15.728 -1.265 3.824 575 2HB PRO 75 HB1 PRO 75 -15.726 -0.038 2.558 576 1HG PRO 75 HG2 PRO 75 -16.488 0.400 5.174 577 2HG PRO 75 HG1 PRO 75 -16.970 1.405 3.798 578 1HD PRO 75 HD2 PRO 75 -18.500 -0.727 5.221 579 2HD PRO 75 HD1 PRO 75 -19.074 0.804 4.526 580 H THR 76 HN THR 76 -17.465 -3.217 0.862 581 HA THR 76 HA THR 76 -17.775 -5.327 2.816 582 HB THR 76 HB THR 76 -17.297 -6.099 0.027 583 HG1 THR 76 HG1 THR 76 -18.603 -4.741 -0.854 584 1HG2 THR 76 HG21 THR 76 -18.496 -7.291 2.110 585 2HG2 THR 76 HG22 THR 76 -18.825 -7.683 0.424 586 3HG2 THR 76 HG23 THR 76 -19.897 -6.589 1.298 587 H LEU 77 HN LEU 77 -16.289 -6.819 3.381 588 HA LEU 77 HA LEU 77 -13.577 -6.472 2.304 589 1HB LEU 77 HB2 LEU 77 -14.545 -6.669 4.983 590 2HB LEU 77 HB1 LEU 77 -13.591 -8.104 4.656 591 HG LEU 77 HG LEU 77 -11.658 -6.757 4.102 592 1HD1 LEU 77 HD11 LEU 77 -13.641 -4.547 4.191 593 2HD1 LEU 77 HD12 LEU 77 -12.294 -4.821 3.084 594 3HD1 LEU 77 HD13 LEU 77 -11.989 -4.208 4.709 595 1HD2 LEU 77 HD21 LEU 77 -12.786 -5.587 6.626 596 2HD2 LEU 77 HD22 LEU 77 -11.117 -6.015 6.255 597 3HD2 LEU 77 HD23 LEU 77 -12.314 -7.282 6.516 598 H LEU 78 HN LEU 78 -12.847 -8.035 1.027 599 HA LEU 78 HA LEU 78 -14.256 -10.620 1.099 600 1HB LEU 78 HB2 LEU 78 -13.168 -8.964 -1.133 601 2HB LEU 78 HB1 LEU 78 -13.220 -10.701 -1.331 602 HG LEU 78 HG LEU 78 -15.507 -8.768 -1.089 603 1HD1 LEU 78 HD11 LEU 78 -15.841 -9.230 -3.237 604 2HD1 LEU 78 HD12 LEU 78 -15.691 -10.967 -2.969 605 3HD1 LEU 78 HD13 LEU 78 -14.247 -9.986 -3.219 606 1HD2 LEU 78 HD21 LEU 78 -15.469 -11.659 -0.353 607 2HD2 LEU 78 HD22 LEU 78 -16.896 -10.975 -1.133 608 3HD2 LEU 78 HD23 LEU 78 -16.330 -10.317 0.403 609 H LEU 79 HN LEU 79 -13.158 -12.442 1.391 610 HA LEU 79 HA LEU 79 -10.219 -12.300 1.443 611 1HB LEU 79 HB2 LEU 79 -12.210 -13.527 3.255 612 2HB LEU 79 HB1 LEU 79 -10.801 -14.510 2.914 613 HG LEU 79 HG LEU 79 -10.621 -13.167 4.994 614 1HD1 LEU 79 HD11 LEU 79 -8.683 -12.873 2.743 615 2HD1 LEU 79 HD12 LEU 79 -8.559 -13.831 4.219 616 3HD1 LEU 79 HD13 LEU 79 -8.373 -12.079 4.287 617 1HD2 LEU 79 HD21 LEU 79 -10.343 -10.770 3.206 618 2HD2 LEU 79 HD22 LEU 79 -10.428 -10.823 4.966 619 3HD2 LEU 79 HD23 LEU 79 -11.859 -11.192 4.003 620 H PHE 80 HN PHE 80 -9.237 -13.453 -0.081 621 HA PHE 80 HA PHE 80 -10.719 -15.674 -1.326 622 1HB PHE 80 HB2 PHE 80 -8.810 -13.638 -2.429 623 2HB PHE 80 HB1 PHE 80 -9.045 -15.167 -3.260 624 HD1 PHE 80 HD1 PHE 80 -10.548 -11.987 -2.317 625 HD2 PHE 80 HD2 PHE 80 -11.161 -15.687 -4.338 626 HE1 PHE 80 HE1 PHE 80 -12.559 -11.061 -3.384 627 HE2 PHE 80 HE2 PHE 80 -13.178 -14.764 -5.411 628 HZ PHE 80 HZ PHE 80 -13.880 -12.450 -4.934 629 H LYS 81 HN LYS 81 -9.637 -17.582 -1.832 630 HA LYS 81 HA LYS 81 -6.880 -17.938 -0.964 631 1HB LYS 81 HB2 LYS 81 -8.799 -18.498 0.852 632 2HB LYS 81 HB1 LYS 81 -8.751 -20.029 -0.006 633 1HG LYS 81 HG2 LYS 81 -6.786 -20.611 0.887 634 2HG LYS 81 HG1 LYS 81 -6.114 -18.989 0.706 635 1HD LYS 81 HD2 LYS 81 -7.615 -18.335 2.666 636 2HD LYS 81 HD1 LYS 81 -7.834 -20.067 2.925 637 1HE LYS 81 HE2 LYS 81 -5.141 -18.716 2.799 638 2HE LYS 81 HE1 LYS 81 -6.021 -19.004 4.299 639 1HZ LYS 81 HZ1 LYS 81 -5.427 -21.219 2.437 640 2HZ LYS 81 HZ2 LYS 81 -5.786 -21.289 4.089 641 3HZ LYS 81 HZ3 LYS 81 -4.283 -20.708 3.576 642 H ASN 82 HN ASN 82 -5.975 -18.793 -2.748 643 HA ASN 82 HA ASN 82 -5.620 -20.120 -4.574 644 1HB ASN 82 HB2 ASN 82 -7.718 -22.009 -3.528 645 2HB ASN 82 HB1 ASN 82 -6.278 -22.380 -4.468 646 1HD2 ASN 82 HD21 ASN 82 -4.218 -21.452 -3.246 647 2HD2 ASN 82 HD22 ASN 82 -4.099 -21.983 -1.606 648 H GLY 83 HN GLY 83 -7.268 -18.021 -5.015 649 1HA GLY 83 HA2 GLY 83 -8.658 -17.231 -6.661 650 2HA GLY 83 HA1 GLY 83 -8.675 -18.849 -7.331 651 H GLU 84 HN GLU 84 -9.678 -19.036 -4.146 652 HA GLU 84 HA GLU 84 -12.493 -18.730 -4.943 653 1HB GLU 84 HB2 GLU 84 -11.394 -21.132 -4.600 654 2HB GLU 84 HB1 GLU 84 -11.773 -20.786 -2.918 655 1HG GLU 84 HG2 GLU 84 -13.961 -20.259 -4.792 656 2HG GLU 84 HG1 GLU 84 -13.463 -21.948 -4.692 657 H VAL 85 HN VAL 85 -13.864 -17.832 -3.527 658 HA VAL 85 HA VAL 85 -12.835 -16.165 -1.466 659 HB VAL 85 HB VAL 85 -15.724 -16.945 -1.903 660 1HG1 VAL 85 HG11 VAL 85 -14.466 -14.528 -0.606 661 2HG1 VAL 85 HG12 VAL 85 -15.313 -15.833 0.222 662 3HG1 VAL 85 HG13 VAL 85 -16.191 -14.765 -0.872 663 1HG2 VAL 85 HG21 VAL 85 -14.279 -15.941 -3.869 664 2HG2 VAL 85 HG22 VAL 85 -14.558 -14.434 -2.998 665 3HG2 VAL 85 HG23 VAL 85 -15.926 -15.389 -3.571 666 H ALA 86 HN ALA 86 -12.208 -16.872 0.539 667 HA ALA 86 HA ALA 86 -13.632 -19.185 1.661 668 1HB ALA 86 HB1 ALA 86 -11.491 -19.274 3.160 669 2HB ALA 86 HB2 ALA 86 -10.781 -18.349 1.837 670 3HB ALA 86 HB3 ALA 86 -11.471 -19.944 1.529 671 H ALA 87 HN ALA 87 -13.945 -16.092 1.859 672 HA ALA 87 HA ALA 87 -15.121 -16.083 4.416 673 1HB ALA 87 HB1 ALA 87 -12.305 -15.390 4.333 674 2HB ALA 87 HB2 ALA 87 -13.346 -15.738 5.712 675 3HB ALA 87 HB3 ALA 87 -13.298 -14.112 5.032 676 H THR 88 HN THR 88 -16.447 -14.313 4.717 677 HA THR 88 HA THR 88 -16.145 -12.062 2.866 678 HB THR 88 HB THR 88 -17.756 -13.302 1.692 679 HG1 THR 88 HG1 THR 88 -18.462 -11.172 2.063 680 1HG2 THR 88 HG21 THR 88 -18.544 -14.290 4.299 681 2HG2 THR 88 HG22 THR 88 -18.751 -15.006 2.700 682 3HG2 THR 88 HG23 THR 88 -19.923 -13.831 3.298 683 H LYS 89 HN LYS 89 -16.346 -10.141 3.854 684 HA LYS 89 HA LYS 89 -17.851 -10.011 6.376 685 1HB LYS 89 HB2 LYS 89 -15.037 -9.537 5.927 686 2HB LYS 89 HB1 LYS 89 -15.818 -8.061 6.476 687 1HG LYS 89 HG2 LYS 89 -16.567 -10.447 7.994 688 2HG LYS 89 HG1 LYS 89 -14.856 -10.023 8.091 689 1HD LYS 89 HD2 LYS 89 -15.317 -7.903 8.986 690 2HD LYS 89 HD1 LYS 89 -17.013 -7.973 8.504 691 1HE LYS 89 HE2 LYS 89 -15.841 -9.900 10.488 692 2HE LYS 89 HE1 LYS 89 -16.466 -8.325 10.977 693 1HZ LYS 89 HZ1 LYS 89 -18.020 -10.352 11.041 694 2HZ LYS 89 HZ2 LYS 89 -18.125 -10.154 9.365 695 3HZ LYS 89 HZ3 LYS 89 -18.612 -8.903 10.395 696 H VAL 90 HN VAL 90 -19.138 -8.224 6.614 697 HA VAL 90 HA VAL 90 -19.083 -6.252 4.422 698 HB VAL 90 HB VAL 90 -21.571 -7.107 5.896 699 1HG1 VAL 90 HG11 VAL 90 -20.930 -5.192 3.731 700 2HG1 VAL 90 HG12 VAL 90 -22.156 -5.105 4.996 701 3HG1 VAL 90 HG13 VAL 90 -22.427 -6.111 3.573 702 1HG2 VAL 90 HG21 VAL 90 -20.786 -9.032 4.698 703 2HG2 VAL 90 HG22 VAL 90 -20.472 -8.066 3.257 704 3HG2 VAL 90 HG23 VAL 90 -22.130 -8.333 3.796 705 H GLY 91 HN GLY 91 -19.484 -4.081 4.915 706 1HA GLY 91 HA2 GLY 91 -19.804 -2.230 6.252 707 2HA GLY 91 HA1 GLY 91 -20.134 -3.297 7.603 708 H ALA 92 HN ALA 92 -18.631 -0.973 7.817 709 HA ALA 92 HA ALA 92 -15.845 -1.405 7.644 710 1HB ALA 92 HB1 ALA 92 -16.981 0.817 7.787 711 2HB ALA 92 HB2 ALA 92 -15.604 0.624 8.870 712 3HB ALA 92 HB3 ALA 92 -17.246 0.506 9.502 713 H LEU 93 HN LEU 93 -14.364 -1.386 9.527 714 HA LEU 93 HA LEU 93 -15.299 -2.488 12.008 715 1HB LEU 93 HB2 LEU 93 -13.687 -4.500 11.694 716 2HB LEU 93 HB1 LEU 93 -15.309 -4.575 11.035 717 HG LEU 93 HG LEU 93 -13.041 -3.649 9.310 718 1HD1 LEU 93 HD11 LEU 93 -13.676 -6.458 10.131 719 2HD1 LEU 93 HD12 LEU 93 -12.108 -5.658 10.011 720 3HD1 LEU 93 HD13 LEU 93 -12.986 -6.104 8.548 721 1HD2 LEU 93 HD21 LEU 93 -14.675 -5.108 7.758 722 2HD2 LEU 93 HD22 LEU 93 -14.894 -3.384 8.050 723 3HD2 LEU 93 HD23 LEU 93 -15.827 -4.559 8.974 724 H SER 94 HN SER 94 -13.689 -2.525 13.637 725 HA SER 94 HA SER 94 -11.708 -0.525 13.369 726 1HB SER 94 HB2 SER 94 -12.952 -1.504 15.497 727 2HB SER 94 HB1 SER 94 -11.528 -2.542 15.564 728 HG SER 94 HG SER 94 -11.238 -0.616 16.761 729 H LYS 95 HN LYS 95 -9.394 -1.137 14.314 730 HA LYS 95 HA LYS 95 -8.135 -2.669 12.271 731 1HB LYS 95 HB2 LYS 95 -7.068 -0.708 13.322 732 2HB LYS 95 HB1 LYS 95 -6.975 -1.582 14.846 733 1HG LYS 95 HG2 LYS 95 -5.188 -2.783 14.201 734 2HG LYS 95 HG1 LYS 95 -5.764 -2.947 12.542 735 1HD LYS 95 HD2 LYS 95 -5.109 -0.593 12.124 736 2HD LYS 95 HD1 LYS 95 -4.444 -0.521 13.759 737 1HE LYS 95 HE2 LYS 95 -3.031 -2.538 13.084 738 2HE LYS 95 HE1 LYS 95 -3.510 -2.171 11.427 739 1HZ LYS 95 HZ1 LYS 95 -1.371 -1.177 12.035 740 2HZ LYS 95 HZ2 LYS 95 -2.127 -0.279 13.252 741 3HZ LYS 95 HZ3 LYS 95 -2.517 0.000 11.629 742 H GLY 96 HN GLY 96 -9.130 -3.325 15.558 743 1HA GLY 96 HA2 GLY 96 -7.604 -5.740 15.795 744 2HA GLY 96 HA1 GLY 96 -8.847 -5.183 16.899 745 H GLN 97 HN GLN 97 -10.847 -4.950 14.741 746 HA GLN 97 HA GLN 97 -11.764 -7.672 14.823 747 1HB GLN 97 HB2 GLN 97 -12.938 -5.271 13.409 748 2HB GLN 97 HB1 GLN 97 -13.745 -6.814 13.656 749 1HG GLN 97 HG2 GLN 97 -13.761 -6.485 16.035 750 2HG GLN 97 HG1 GLN 97 -12.806 -5.012 15.874 751 1HE2 GLN 97 HE21 GLN 97 -15.925 -6.460 15.545 752 2HE2 GLN 97 HE22 GLN 97 -16.813 -4.998 15.303 753 H LEU 98 HN LEU 98 -10.297 -5.552 12.479 754 HA LEU 98 HA LEU 98 -10.817 -7.196 10.201 755 1HB LEU 98 HB2 LEU 98 -9.936 -4.651 10.518 756 2HB LEU 98 HB1 LEU 98 -8.426 -5.466 10.151 757 HG LEU 98 HG LEU 98 -10.902 -5.474 8.426 758 1HD1 LEU 98 HD11 LEU 98 -9.710 -4.070 6.934 759 2HD1 LEU 98 HD12 LEU 98 -8.220 -4.237 7.862 760 3HD1 LEU 98 HD13 LEU 98 -9.583 -3.341 8.534 761 1HD2 LEU 98 HD21 LEU 98 -9.106 -6.450 6.794 762 2HD2 LEU 98 HD22 LEU 98 -9.959 -7.505 7.921 763 3HD2 LEU 98 HD23 LEU 98 -8.323 -6.961 8.290 764 H LYS 99 HN LYS 99 -7.921 -6.662 12.194 765 HA LYS 99 HA LYS 99 -6.285 -8.555 10.938 766 1HB LYS 99 HB2 LYS 99 -5.755 -6.714 12.726 767 2HB LYS 99 HB1 LYS 99 -6.048 -8.014 13.874 768 1HG LYS 99 HG2 LYS 99 -4.344 -9.358 12.559 769 2HG LYS 99 HG1 LYS 99 -3.926 -7.841 11.760 770 1HD LYS 99 HD2 LYS 99 -2.423 -7.807 13.486 771 2HD LYS 99 HD1 LYS 99 -3.780 -6.976 14.249 772 1HE LYS 99 HE2 LYS 99 -4.509 -9.149 15.199 773 2HE LYS 99 HE1 LYS 99 -3.059 -9.891 14.524 774 1HZ LYS 99 HZ1 LYS 99 -2.361 -9.409 16.628 775 2HZ LYS 99 HZ2 LYS 99 -3.316 -8.021 16.765 776 3HZ LYS 99 HZ3 LYS 99 -1.897 -7.982 15.847 777 H GLU 100 HN GLU 100 -8.593 -8.902 13.594 778 HA GLU 100 HA GLU 100 -7.857 -11.519 14.331 779 1HB GLU 100 HB2 GLU 100 -9.706 -11.533 15.714 780 2HB GLU 100 HB1 GLU 100 -9.425 -9.811 15.528 781 1HG GLU 100 HG2 GLU 100 -11.600 -9.710 15.081 782 2HG GLU 100 HG1 GLU 100 -11.151 -10.300 13.484 783 H PHE 101 HN PHE 101 -10.042 -10.277 11.866 784 HA PHE 101 HA PHE 101 -11.239 -12.708 11.103 785 1HB PHE 101 HB2 PHE 101 -11.900 -10.323 10.454 786 2HB PHE 101 HB1 PHE 101 -10.607 -10.392 9.264 787 HD1 PHE 101 HD1 PHE 101 -13.012 -13.059 10.239 788 HD2 PHE 101 HD2 PHE 101 -11.710 -10.338 7.236 789 HE1 PHE 101 HE1 PHE 101 -14.552 -14.103 8.627 790 HE2 PHE 101 HE2 PHE 101 -13.246 -11.378 5.620 791 HZ PHE 101 HZ PHE 101 -14.669 -13.263 6.317 792 H LEU 102 HN LEU 102 -8.282 -11.063 10.097 793 HA LEU 102 HA LEU 102 -7.585 -12.872 8.024 794 1HB LEU 102 HB2 LEU 102 -6.310 -10.637 9.452 795 2HB LEU 102 HB1 LEU 102 -5.189 -11.852 8.869 796 HG LEU 102 HG LEU 102 -7.147 -10.267 7.207 797 1HD1 LEU 102 HD11 LEU 102 -4.189 -10.165 7.631 798 2HD1 LEU 102 HD12 LEU 102 -5.365 -8.852 7.608 799 3HD1 LEU 102 HD13 LEU 102 -4.893 -9.636 6.102 800 1HD2 LEU 102 HD21 LEU 102 -5.582 -12.719 6.636 801 2HD2 LEU 102 HD22 LEU 102 -5.640 -11.480 5.383 802 3HD2 LEU 102 HD23 LEU 102 -7.135 -12.186 5.992 803 H ASP 103 HN ASP 103 -6.298 -12.494 11.334 804 HA ASP 103 HA ASP 103 -4.647 -14.707 11.393 805 1HB ASP 103 HB2 ASP 103 -5.320 -12.842 13.220 806 2HB ASP 103 HB1 ASP 103 -6.226 -14.211 13.857 807 H ALA 104 HN ALA 104 -8.127 -14.509 11.780 808 HA ALA 104 HA ALA 104 -8.519 -17.186 12.635 809 1HB ALA 104 HB1 ALA 104 -10.895 -16.776 12.045 810 2HB ALA 104 HB2 ALA 104 -10.416 -15.210 11.387 811 3HB ALA 104 HB3 ALA 104 -10.199 -15.549 13.104 812 H ASN 105 HN ASN 105 -7.972 -15.757 9.518 813 HA ASN 105 HA ASN 105 -8.821 -18.252 8.209 814 1HB ASN 105 HB2 ASN 105 -9.363 -15.635 7.520 815 2HB ASN 105 HB1 ASN 105 -8.030 -16.048 6.448 816 1HD2 ASN 105 HD21 ASN 105 -9.708 -15.731 4.802 817 2HD2 ASN 105 HD22 ASN 105 -10.725 -17.067 4.395 818 H LEU 106 HN LEU 106 -6.190 -15.836 8.017 819 HA LEU 106 HA LEU 106 -4.412 -17.241 6.433 820 1HB LEU 106 HB2 LEU 106 -4.169 -14.894 7.252 821 2HB LEU 106 HB1 LEU 106 -3.671 -15.541 8.799 822 HG LEU 106 HG LEU 106 -1.673 -16.478 7.851 823 1HD1 LEU 106 HD11 LEU 106 -1.948 -17.260 5.759 824 2HD1 LEU 106 HD12 LEU 106 -1.340 -15.665 5.310 825 3HD1 LEU 106 HD13 LEU 106 -3.076 -15.979 5.312 826 1HD2 LEU 106 HD21 LEU 106 -0.726 -14.309 6.764 827 2HD2 LEU 106 HD22 LEU 106 -1.207 -14.306 8.460 828 3HD2 LEU 106 HD23 LEU 106 -2.278 -13.621 7.237 829 H VAL 107 HN VAL 107 -4.347 -19.405 6.868 830 HA VAL 107 HA VAL 107 -2.429 -20.364 8.652 831 HB VAL 107 HB VAL 107 -3.960 -19.838 10.439 832 1HG1 VAL 107 HG11 VAL 107 -6.171 -21.308 10.362 833 2HG1 VAL 107 HG12 VAL 107 -5.937 -21.097 8.628 834 3HG1 VAL 107 HG13 VAL 107 -6.091 -19.687 9.677 835 1HG2 VAL 107 HG21 VAL 107 -4.461 -22.737 10.348 836 2HG2 VAL 107 HG22 VAL 107 -3.655 -21.759 11.575 837 3HG2 VAL 107 HG23 VAL 107 -2.781 -22.250 10.124 Start of MODEL 3 1 1H MET 1 HT1 MET 1 2.449 -5.850 -1.399 2 2H MET 1 HT2 MET 1 2.114 -4.649 -0.221 3 3H MET 1 HT3 MET 1 3.739 -5.074 -0.575 4 HA MET 1 HA MET 1 3.390 -3.085 -1.639 5 1HB MET 1 HB2 MET 1 4.418 -5.012 -2.926 6 2HB MET 1 HB1 MET 1 2.861 -5.216 -3.716 7 1HG MET 1 HG2 MET 1 4.088 -3.947 -5.217 8 2HG MET 1 HG1 MET 1 3.089 -2.758 -4.384 9 1HE MET 1 HE1 MET 1 4.413 -0.824 -5.141 10 2HE MET 1 HE2 MET 1 5.682 -1.686 -6.011 11 3HE MET 1 HE3 MET 1 6.109 -0.492 -4.786 12 H VAL 2 HN VAL 2 0.706 -5.314 -2.206 13 HA VAL 2 HA VAL 2 -1.496 -4.968 -2.658 14 HB VAL 2 HB VAL 2 -0.967 -2.091 -1.903 15 1HG1 VAL 2 HG11 VAL 2 -3.596 -3.302 -1.390 16 2HG1 VAL 2 HG12 VAL 2 -3.199 -3.084 -3.091 17 3HG1 VAL 2 HG13 VAL 2 -3.184 -1.701 -2.000 18 1HG2 VAL 2 HG21 VAL 2 -0.680 -4.330 -0.299 19 2HG2 VAL 2 HG22 VAL 2 -2.298 -3.741 0.080 20 3HG2 VAL 2 HG23 VAL 2 -0.907 -2.672 0.252 21 H LYS 3 HN LYS 3 -2.792 -4.465 -4.394 22 HA LYS 3 HA LYS 3 -1.831 -2.531 -6.358 23 1HB LYS 3 HB2 LYS 3 -2.272 -4.334 -8.158 24 2HB LYS 3 HB1 LYS 3 -0.751 -4.396 -7.278 25 1HG LYS 3 HG2 LYS 3 -1.545 -6.184 -5.899 26 2HG LYS 3 HG1 LYS 3 -3.174 -6.032 -6.562 27 1HD LYS 3 HD2 LYS 3 -2.288 -7.855 -7.712 28 2HD LYS 3 HD1 LYS 3 -2.060 -6.514 -8.835 29 1HE LYS 3 HE2 LYS 3 -0.001 -7.542 -8.911 30 2HE LYS 3 HE1 LYS 3 0.262 -6.300 -7.688 31 1HZ LYS 3 HZ1 LYS 3 -0.293 -9.176 -7.212 32 2HZ LYS 3 HZ2 LYS 3 -0.222 -8.011 -5.989 33 3HZ LYS 3 HZ3 LYS 3 1.156 -8.355 -6.908 34 H GLN 4 HN GLN 4 -3.495 -1.360 -6.998 35 HA GLN 4 HA GLN 4 -6.160 -2.093 -6.290 36 1HB GLN 4 HB2 GLN 4 -5.483 0.229 -6.204 37 2HB GLN 4 HB1 GLN 4 -5.085 0.219 -7.916 38 1HG GLN 4 HG2 GLN 4 -7.190 0.620 -8.515 39 2HG GLN 4 HG1 GLN 4 -7.823 -0.595 -7.407 40 1HE2 GLN 4 HE21 GLN 4 -9.358 0.354 -6.259 41 2HE2 GLN 4 HE22 GLN 4 -9.214 1.871 -5.446 42 H ILE 5 HN ILE 5 -7.700 -3.026 -7.520 43 HA ILE 5 HA ILE 5 -6.980 -3.745 -10.278 44 HB ILE 5 HB ILE 5 -8.449 -5.117 -8.113 45 1HG1 ILE 5 HG12 ILE 5 -7.310 -7.030 -8.922 46 2HG1 ILE 5 HG11 ILE 5 -7.036 -6.300 -10.500 47 1HG2 ILE 5 HG21 ILE 5 -9.332 -5.349 -10.979 48 2HG2 ILE 5 HG22 ILE 5 -10.312 -4.924 -9.575 49 3HG2 ILE 5 HG23 ILE 5 -9.675 -6.559 -9.747 50 1HD1 ILE 5 HD11 ILE 5 -5.183 -6.472 -8.552 51 2HD1 ILE 5 HD12 ILE 5 -5.840 -4.866 -8.234 52 3HD1 ILE 5 HD13 ILE 5 -5.176 -5.248 -9.822 53 H GLU 6 HN GLU 6 -7.795 -2.363 -11.716 54 HA GLU 6 HA GLU 6 -10.398 -1.132 -11.228 55 1HB GLU 6 HB2 GLU 6 -8.050 -0.441 -12.930 56 2HB GLU 6 HB1 GLU 6 -9.636 0.144 -13.411 57 1HG GLU 6 HG2 GLU 6 -9.530 1.782 -11.935 58 2HG GLU 6 HG1 GLU 6 -9.252 0.638 -10.624 59 H SER 7 HN SER 7 -9.866 -3.960 -12.285 60 HA SER 7 HA SER 7 -11.963 -3.870 -14.274 61 1HB SER 7 HB2 SER 7 -9.139 -4.619 -14.973 62 2HB SER 7 HB1 SER 7 -10.494 -5.344 -15.838 63 HG SER 7 HG SER 7 -11.198 -3.150 -16.259 64 H LYS 8 HN LYS 8 -12.612 -6.088 -14.987 65 HA LYS 8 HA LYS 8 -12.777 -7.803 -12.691 66 1HB LYS 8 HB2 LYS 8 -14.721 -7.531 -14.098 67 2HB LYS 8 HB1 LYS 8 -13.829 -8.064 -15.514 68 1HG LYS 8 HG2 LYS 8 -13.538 -10.278 -14.259 69 2HG LYS 8 HG1 LYS 8 -14.816 -9.685 -13.198 70 1HD LYS 8 HD2 LYS 8 -16.125 -10.749 -14.722 71 2HD LYS 8 HD1 LYS 8 -15.976 -9.199 -15.555 72 1HE LYS 8 HE2 LYS 8 -14.192 -10.057 -16.926 73 2HE LYS 8 HE1 LYS 8 -14.174 -11.570 -16.021 74 1HZ LYS 8 HZ1 LYS 8 -16.698 -11.535 -16.796 75 2HZ LYS 8 HZ2 LYS 8 -15.468 -12.216 -17.736 76 3HZ LYS 8 HZ3 LYS 8 -16.025 -10.656 -18.074 77 H THR 9 HN THR 9 -10.868 -7.640 -15.584 78 HA THR 9 HA THR 9 -9.958 -10.374 -15.455 79 HB THR 9 HB THR 9 -8.784 -8.060 -17.007 80 HG1 THR 9 HG1 THR 9 -10.687 -9.992 -17.830 81 1HG2 THR 9 HG21 THR 9 -7.586 -10.416 -16.677 82 2HG2 THR 9 HG22 THR 9 -7.510 -9.503 -18.183 83 3HG2 THR 9 HG23 THR 9 -8.659 -10.830 -18.014 84 H ALA 10 HN ALA 10 -8.883 -7.228 -14.371 85 HA ALA 10 HA ALA 10 -6.240 -7.949 -13.672 86 1HB ALA 10 HB1 ALA 10 -7.058 -5.612 -13.945 87 2HB ALA 10 HB2 ALA 10 -6.168 -5.880 -12.447 88 3HB ALA 10 HB3 ALA 10 -7.928 -5.784 -12.424 89 H PHE 11 HN PHE 11 -9.317 -8.097 -11.976 90 HA PHE 11 HA PHE 11 -8.368 -8.636 -9.393 91 1HB PHE 11 HB2 PHE 11 -10.785 -8.156 -10.199 92 2HB PHE 11 HB1 PHE 11 -10.878 -9.888 -10.506 93 HD1 PHE 11 HD1 PHE 11 -9.330 -7.922 -7.750 94 HD2 PHE 11 HD2 PHE 11 -12.205 -10.847 -8.882 95 HE1 PHE 11 HE1 PHE 11 -9.848 -8.324 -5.381 96 HE2 PHE 11 HE2 PHE 11 -12.731 -11.252 -6.512 97 HZ PHE 11 HZ PHE 11 -11.550 -9.990 -4.758 98 H GLN 12 HN GLN 12 -9.094 -10.775 -12.107 99 HA GLN 12 HA GLN 12 -8.545 -13.203 -10.752 100 1HB GLN 12 HB2 GLN 12 -8.522 -12.486 -13.688 101 2HB GLN 12 HB1 GLN 12 -8.246 -14.118 -13.096 102 1HG GLN 12 HG2 GLN 12 -10.745 -12.471 -12.800 103 2HG GLN 12 HG1 GLN 12 -10.525 -13.929 -13.764 104 1HE2 GLN 12 HE21 GLN 12 -10.799 -12.652 -10.522 105 2HE2 GLN 12 HE22 GLN 12 -11.191 -14.150 -9.756 106 H GLU 13 HN GLU 13 -6.588 -10.978 -12.668 107 HA GLU 13 HA GLU 13 -4.247 -12.470 -12.837 108 1HB GLU 13 HB2 GLU 13 -4.992 -9.631 -13.109 109 2HB GLU 13 HB1 GLU 13 -3.300 -9.925 -12.736 110 1HG GLU 13 HG2 GLU 13 -3.125 -11.395 -14.676 111 2HG GLU 13 HG1 GLU 13 -4.823 -11.106 -15.047 112 H ALA 14 HN ALA 14 -5.146 -10.027 -10.374 113 HA ALA 14 HA ALA 14 -2.784 -10.341 -8.849 114 1HB ALA 14 HB1 ALA 14 -4.393 -8.400 -8.755 115 2HB ALA 14 HB2 ALA 14 -3.829 -9.004 -7.198 116 3HB ALA 14 HB3 ALA 14 -5.441 -9.426 -7.774 117 H LEU 15 HN LEU 15 -5.874 -11.996 -8.844 118 HA LEU 15 HA LEU 15 -5.575 -13.327 -6.363 119 1HB LEU 15 HB2 LEU 15 -7.226 -13.794 -8.820 120 2HB LEU 15 HB1 LEU 15 -7.173 -15.018 -7.565 121 HG LEU 15 HG LEU 15 -8.133 -12.173 -7.263 122 1HD1 LEU 15 HD11 LEU 15 -9.630 -14.771 -6.983 123 2HD1 LEU 15 HD12 LEU 15 -9.649 -13.758 -8.427 124 3HD1 LEU 15 HD13 LEU 15 -10.293 -13.138 -6.906 125 1HD2 LEU 15 HD21 LEU 15 -7.420 -14.254 -5.272 126 2HD2 LEU 15 HD22 LEU 15 -8.870 -13.295 -4.978 127 3HD2 LEU 15 HD23 LEU 15 -7.309 -12.496 -5.168 128 H ASP 16 HN ASP 16 -4.733 -14.168 -9.684 129 HA ASP 16 HA ASP 16 -3.756 -16.770 -9.152 130 1HB ASP 16 HB2 ASP 16 -4.396 -15.926 -11.411 131 2HB ASP 16 HB1 ASP 16 -2.966 -14.900 -11.397 132 H ALA 17 HN ALA 17 -2.382 -13.592 -8.902 133 HA ALA 17 HA ALA 17 0.338 -14.255 -8.919 134 1HB ALA 17 HB1 ALA 17 -0.752 -12.029 -7.237 135 2HB ALA 17 HB2 ALA 17 -0.794 -11.942 -8.997 136 3HB ALA 17 HB3 ALA 17 0.751 -12.094 -8.159 137 H ALA 18 HN ALA 18 -1.924 -13.963 -6.152 138 HA ALA 18 HA ALA 18 0.054 -14.657 -4.220 139 1HB ALA 18 HB1 ALA 18 -2.957 -14.700 -4.165 140 2HB ALA 18 HB2 ALA 18 -1.874 -13.506 -3.451 141 3HB ALA 18 HB3 ALA 18 -1.966 -15.132 -2.772 142 H GLY 19 HN GLY 19 -2.772 -16.512 -5.304 143 1HA GLY 19 HA2 GLY 19 -2.888 -18.743 -6.004 144 2HA GLY 19 HA1 GLY 19 -1.168 -18.904 -5.693 145 H ASP 20 HN ASP 20 -0.460 -19.379 -3.533 146 HA ASP 20 HA ASP 20 -2.499 -20.830 -2.028 147 1HB ASP 20 HB2 ASP 20 0.484 -20.907 -2.145 148 2HB ASP 20 HB1 ASP 20 -0.332 -21.520 -0.710 149 H LYS 21 HN LYS 21 -0.828 -17.866 -1.895 150 HA LYS 21 HA LYS 21 -0.844 -17.562 0.949 151 1HB LYS 21 HB2 LYS 21 -0.607 -15.494 -1.254 152 2HB LYS 21 HB1 LYS 21 -0.345 -15.185 0.456 153 1HG LYS 21 HG2 LYS 21 1.673 -16.240 0.486 154 2HG LYS 21 HG1 LYS 21 1.246 -17.334 -0.832 155 1HD LYS 21 HD2 LYS 21 1.708 -15.756 -2.464 156 2HD LYS 21 HD1 LYS 21 1.519 -14.400 -1.350 157 1HE LYS 21 HE2 LYS 21 3.588 -15.584 -0.176 158 2HE LYS 21 HE1 LYS 21 3.852 -16.177 -1.815 159 1HZ LYS 21 HZ1 LYS 21 3.943 -13.422 -0.800 160 2HZ LYS 21 HZ2 LYS 21 3.526 -13.685 -2.418 161 3HZ LYS 21 HZ3 LYS 21 5.018 -14.221 -1.830 162 H LEU 22 HN LEU 22 -2.217 -16.049 2.095 163 HA LEU 22 HA LEU 22 -4.958 -16.262 1.256 164 1HB LEU 22 HB2 LEU 22 -4.428 -16.570 3.581 165 2HB LEU 22 HB1 LEU 22 -3.629 -15.014 3.659 166 HG LEU 22 HG LEU 22 -5.670 -13.837 3.612 167 1HD1 LEU 22 HD11 LEU 22 -7.206 -14.563 2.159 168 2HD1 LEU 22 HD12 LEU 22 -7.771 -15.592 3.475 169 3HD1 LEU 22 HD13 LEU 22 -6.653 -16.234 2.272 170 1HD2 LEU 22 HD21 LEU 22 -6.624 -14.494 5.600 171 2HD2 LEU 22 HD22 LEU 22 -5.058 -15.300 5.673 172 3HD2 LEU 22 HD23 LEU 22 -6.497 -16.211 5.216 173 H VAL 23 HN VAL 23 -6.195 -14.705 0.344 174 HA VAL 23 HA VAL 23 -4.908 -12.101 -0.121 175 HB VAL 23 HB VAL 23 -7.120 -13.233 -1.811 176 1HG1 VAL 23 HG11 VAL 23 -7.028 -11.158 -2.630 177 2HG1 VAL 23 HG12 VAL 23 -5.485 -11.625 -3.344 178 3HG1 VAL 23 HG13 VAL 23 -5.522 -10.806 -1.783 179 1HG2 VAL 23 HG21 VAL 23 -5.489 -14.059 -3.374 180 2HG2 VAL 23 HG22 VAL 23 -5.173 -14.782 -1.797 181 3HG2 VAL 23 HG23 VAL 23 -4.166 -13.455 -2.375 182 H VAL 24 HN VAL 24 -5.638 -10.640 1.205 183 HA VAL 24 HA VAL 24 -8.488 -10.636 1.903 184 HB VAL 24 HB VAL 24 -6.965 -10.662 3.828 185 1HG1 VAL 24 HG11 VAL 24 -5.066 -9.521 3.887 186 2HG1 VAL 24 HG12 VAL 24 -5.916 -7.994 3.650 187 3HG1 VAL 24 HG13 VAL 24 -5.406 -8.948 2.257 188 1HG2 VAL 24 HG21 VAL 24 -8.863 -9.593 4.502 189 2HG2 VAL 24 HG22 VAL 24 -8.698 -8.306 3.307 190 3HG2 VAL 24 HG23 VAL 24 -7.694 -8.298 4.757 191 H VAL 25 HN VAL 25 -9.680 -9.322 0.701 192 HA VAL 25 HA VAL 25 -8.421 -6.852 -0.285 193 HB VAL 25 HB VAL 25 -10.083 -7.104 -2.240 194 1HG1 VAL 25 HG11 VAL 25 -8.461 -8.211 -3.528 195 2HG1 VAL 25 HG12 VAL 25 -7.901 -9.168 -2.157 196 3HG1 VAL 25 HG13 VAL 25 -7.554 -7.441 -2.224 197 1HG2 VAL 25 HG21 VAL 25 -11.261 -9.030 -1.058 198 2HG2 VAL 25 HG22 VAL 25 -9.877 -10.015 -1.538 199 3HG2 VAL 25 HG23 VAL 25 -10.885 -9.244 -2.766 200 H ASP 26 HN ASP 26 -9.966 -5.148 -0.879 201 HA ASP 26 HA ASP 26 -12.340 -5.149 0.861 202 1HB ASP 26 HB2 ASP 26 -10.337 -3.848 1.762 203 2HB ASP 26 HB1 ASP 26 -10.604 -2.722 0.435 204 H PHE 27 HN PHE 27 -14.173 -4.485 -0.051 205 HA PHE 27 HA PHE 27 -14.078 -3.442 -2.800 206 1HB PHE 27 HB2 PHE 27 -15.980 -5.087 -1.250 207 2HB PHE 27 HB1 PHE 27 -16.724 -3.873 -2.288 208 HD1 PHE 27 HD1 PHE 27 -14.628 -6.880 -2.202 209 HD2 PHE 27 HD2 PHE 27 -16.588 -4.028 -4.682 210 HE1 PHE 27 HE1 PHE 27 -14.253 -8.327 -4.158 211 HE2 PHE 27 HE2 PHE 27 -16.223 -5.476 -6.640 212 HZ PHE 27 HZ PHE 27 -15.053 -7.628 -6.378 213 H SER 28 HN SER 28 -14.054 -1.251 -2.867 214 HA SER 28 HA SER 28 -15.698 0.202 -0.899 215 1HB SER 28 HB2 SER 28 -13.289 0.528 -0.553 216 2HB SER 28 HB1 SER 28 -13.125 1.098 -2.213 217 HG SER 28 HG SER 28 -13.341 2.920 -1.050 218 H ALA 29 HN ALA 29 -15.583 2.703 -1.891 219 HA ALA 29 HA ALA 29 -16.411 2.718 -4.671 220 1HB ALA 29 HB1 ALA 29 -18.625 3.171 -4.418 221 2HB ALA 29 HB2 ALA 29 -18.403 3.946 -2.850 222 3HB ALA 29 HB3 ALA 29 -18.396 2.187 -2.973 223 H THR 30 HN THR 30 -16.620 4.872 -5.539 224 HA THR 30 HA THR 30 -14.788 6.734 -4.363 225 HB THR 30 HB THR 30 -15.833 8.205 -6.294 226 HG1 THR 30 HG1 THR 30 -17.432 7.166 -7.178 227 1HG2 THR 30 HG21 THR 30 -13.652 6.543 -6.175 228 2HG2 THR 30 HG22 THR 30 -14.030 7.673 -7.475 229 3HG2 THR 30 HG23 THR 30 -14.512 5.983 -7.610 230 H TRP 31 HN TRP 31 -18.245 6.420 -4.692 231 HA TRP 31 HA TRP 31 -18.833 8.970 -3.437 232 1HB TRP 31 HB2 TRP 31 -21.169 8.358 -3.831 233 2HB TRP 31 HB1 TRP 31 -20.214 8.094 -5.289 234 HD1 TRP 31 HD1 TRP 31 -19.724 5.503 -5.980 235 HE1 TRP 31 HE1 TRP 31 -20.973 3.317 -5.349 236 HE3 TRP 31 HE3 TRP 31 -22.532 7.220 -2.055 237 HZ2 TRP 31 HZ2 TRP 31 -22.887 2.468 -3.511 238 HZ3 TRP 31 HZ3 TRP 31 -24.049 5.649 -0.920 239 HH2 TRP 31 HH2 TRP 31 -24.220 3.321 -1.636 240 H CYS 32 HN CYS 32 -17.642 6.364 -2.040 241 HA CYS 32 HA CYS 32 -19.594 6.182 0.130 242 1HB CYS 32 HB2 CYS 32 -18.571 4.092 -0.888 243 2HB CYS 32 HB1 CYS 32 -17.051 4.577 -0.143 244 H GLY 33 HN GLY 33 -18.902 6.364 2.350 245 1HA GLY 33 HA2 GLY 33 -16.727 8.339 2.636 246 2HA GLY 33 HA1 GLY 33 -18.124 8.229 3.696 247 HA PRO 34 HA PRO 34 -16.101 5.534 6.521 248 1HB PRO 34 HB2 PRO 34 -17.936 3.272 5.992 249 2HB PRO 34 HB1 PRO 34 -17.635 4.147 7.497 250 1HG PRO 34 HG2 PRO 34 -19.912 4.487 6.143 251 2HG PRO 34 HG1 PRO 34 -19.118 5.846 6.961 252 1HD PRO 34 HD2 PRO 34 -19.126 5.130 4.052 253 2HD PRO 34 HD1 PRO 34 -19.265 6.726 4.821 254 H CYS 35 HN CYS 35 -16.784 4.200 3.372 255 HA CYS 35 HA CYS 35 -15.257 1.861 3.474 256 1HB CYS 35 HB2 CYS 35 -15.763 3.680 1.111 257 2HB CYS 35 HB1 CYS 35 -15.174 2.026 1.013 258 H LYS 36 HN LYS 36 -14.333 5.158 2.537 259 HA LYS 36 HA LYS 36 -11.679 4.539 1.818 260 1HB LYS 36 HB2 LYS 36 -13.192 7.026 2.442 261 2HB LYS 36 HB1 LYS 36 -11.437 7.114 2.477 262 1HG LYS 36 HG2 LYS 36 -11.306 7.140 0.260 263 2HG LYS 36 HG1 LYS 36 -12.386 5.754 0.106 264 1HD LYS 36 HD2 LYS 36 -13.366 7.652 -1.013 265 2HD LYS 36 HD1 LYS 36 -14.314 7.278 0.428 266 1HE LYS 36 HE2 LYS 36 -13.223 9.071 1.643 267 2HE LYS 36 HE1 LYS 36 -12.193 9.413 0.254 268 1HZ LYS 36 HZ1 LYS 36 -14.343 10.792 0.677 269 2HZ LYS 36 HZ2 LYS 36 -15.108 9.492 -0.088 270 3HZ LYS 36 HZ3 LYS 36 -13.906 10.363 -0.900 271 H MET 37 HN MET 37 -13.191 5.063 4.914 272 HA MET 37 HA MET 37 -10.888 5.779 6.366 273 1HB MET 37 HB2 MET 37 -13.436 4.442 7.271 274 2HB MET 37 HB1 MET 37 -12.202 5.059 8.358 275 1HG MET 37 HG2 MET 37 -13.495 6.829 6.321 276 2HG MET 37 HG1 MET 37 -14.258 6.509 7.877 277 1HE MET 37 HE1 MET 37 -11.253 6.364 9.658 278 2HE MET 37 HE2 MET 37 -12.923 6.707 10.111 279 3HE MET 37 HE3 MET 37 -11.663 7.907 10.406 280 H ILE 38 HN ILE 38 -11.798 2.752 5.024 281 HA ILE 38 HA ILE 38 -10.317 1.190 6.974 282 HB ILE 38 HB ILE 38 -11.419 0.250 4.323 283 1HG1 ILE 38 HG12 ILE 38 -13.133 1.324 5.879 284 2HG1 ILE 38 HG11 ILE 38 -13.460 -0.330 5.377 285 1HG2 ILE 38 HG21 ILE 38 -9.789 -1.243 5.314 286 2HG2 ILE 38 HG22 ILE 38 -11.400 -1.953 5.406 287 3HG2 ILE 38 HG23 ILE 38 -10.672 -1.230 6.840 288 1HD1 ILE 38 HD11 ILE 38 -13.886 0.214 7.795 289 2HD1 ILE 38 HD12 ILE 38 -12.137 0.340 7.986 290 3HD1 ILE 38 HD13 ILE 38 -12.862 -1.189 7.487 291 H LYS 39 HN LYS 39 -9.728 2.803 3.979 292 HA LYS 39 HA LYS 39 -7.704 1.350 2.820 293 1HB LYS 39 HB2 LYS 39 -8.735 3.986 2.605 294 2HB LYS 39 HB1 LYS 39 -6.983 4.109 2.669 295 1HG LYS 39 HG2 LYS 39 -6.707 2.810 0.737 296 2HG LYS 39 HG1 LYS 39 -8.362 2.203 0.809 297 1HD LYS 39 HD2 LYS 39 -8.566 3.777 -0.848 298 2HD LYS 39 HD1 LYS 39 -8.967 4.749 0.570 299 1HE LYS 39 HE2 LYS 39 -7.455 6.106 -0.524 300 2HE LYS 39 HE1 LYS 39 -6.415 5.253 0.614 301 1HZ LYS 39 HZ1 LYS 39 -5.238 5.000 -1.306 302 2HZ LYS 39 HZ2 LYS 39 -6.610 4.974 -2.295 303 3HZ LYS 39 HZ3 LYS 39 -6.194 3.607 -1.392 304 HA PRO 40 HA PRO 40 -4.418 3.922 5.496 305 1HB PRO 40 HB2 PRO 40 -5.564 4.321 8.039 306 2HB PRO 40 HB1 PRO 40 -5.209 5.563 6.835 307 1HG PRO 40 HG2 PRO 40 -7.775 4.153 7.409 308 2HG PRO 40 HG1 PRO 40 -7.499 5.840 6.934 309 1HD PRO 40 HD2 PRO 40 -8.416 4.085 5.165 310 2HD PRO 40 HD1 PRO 40 -7.191 5.280 4.685 311 H PHE 41 HN PHE 41 -6.792 1.966 7.331 312 HA PHE 41 HA PHE 41 -4.702 0.580 8.734 313 1HB PHE 41 HB2 PHE 41 -7.574 -0.305 8.634 314 2HB PHE 41 HB1 PHE 41 -6.409 -0.485 9.941 315 HD1 PHE 41 HD1 PHE 41 -5.390 2.049 10.552 316 HD2 PHE 41 HD2 PHE 41 -9.303 1.077 9.190 317 HE1 PHE 41 HE1 PHE 41 -6.259 4.099 11.598 318 HE2 PHE 41 HE2 PHE 41 -10.178 3.125 10.233 319 HZ PHE 41 HZ PHE 41 -8.657 4.640 11.439 320 H PHE 42 HN PHE 42 -6.669 -0.087 5.888 321 HA PHE 42 HA PHE 42 -6.180 -2.875 5.777 322 1HB PHE 42 HB2 PHE 42 -7.853 -1.347 4.422 323 2HB PHE 42 HB1 PHE 42 -6.516 -1.246 3.285 324 HD1 PHE 42 HD1 PHE 42 -8.634 -3.703 5.103 325 HD2 PHE 42 HD2 PHE 42 -6.222 -2.907 1.685 326 HE1 PHE 42 HE1 PHE 42 -9.344 -5.837 4.107 327 HE2 PHE 42 HE2 PHE 42 -6.932 -5.039 0.684 328 HZ PHE 42 HZ PHE 42 -8.496 -6.507 1.895 329 H HIS 43 HN HIS 43 -4.580 -0.081 4.312 330 HA HIS 43 HA HIS 43 -2.607 -1.540 2.918 331 1HB HIS 43 HB2 HIS 43 -3.408 1.082 2.998 332 2HB HIS 43 HB1 HIS 43 -1.826 1.156 3.767 333 HD1 HIS 43 HD1 HIS 43 -3.352 1.225 0.499 334 HD2 HIS 43 HD2 HIS 43 0.219 -0.183 2.085 335 HE1 HIS 43 HE1 HIS 43 -1.774 0.929 -1.456 336 H SER 44 HN SER 44 -2.637 -0.091 6.161 337 HA SER 44 HA SER 44 0.084 -0.444 6.727 338 1HB SER 44 HB2 SER 44 -1.668 0.894 8.045 339 2HB SER 44 HB1 SER 44 -2.090 -0.639 8.808 340 HG SER 44 HG SER 44 -0.238 -0.641 9.865 341 H LEU 45 HN LEU 45 -2.695 -2.588 7.249 342 HA LEU 45 HA LEU 45 -1.344 -4.612 8.630 343 1HB LEU 45 HB2 LEU 45 -3.743 -4.681 6.806 344 2HB LEU 45 HB1 LEU 45 -3.161 -6.109 7.640 345 HG LEU 45 HG LEU 45 -3.804 -3.648 9.214 346 1HD1 LEU 45 HD11 LEU 45 -6.086 -4.134 9.334 347 2HD1 LEU 45 HD12 LEU 45 -5.883 -5.713 8.576 348 3HD1 LEU 45 HD13 LEU 45 -5.705 -4.243 7.616 349 1HD2 LEU 45 HD21 LEU 45 -2.676 -5.722 10.153 350 2HD2 LEU 45 HD22 LEU 45 -4.220 -6.541 9.910 351 3HD2 LEU 45 HD23 LEU 45 -4.117 -5.152 10.993 352 H SER 46 HN SER 46 -1.761 -4.006 5.185 353 HA SER 46 HA SER 46 -0.691 -6.346 4.140 354 1HB SER 46 HB2 SER 46 -1.825 -4.573 2.817 355 2HB SER 46 HB1 SER 46 -0.407 -3.546 3.019 356 HG SER 46 HG SER 46 0.592 -4.645 1.527 357 H GLU 47 HN GLU 47 0.917 -3.606 5.624 358 HA GLU 47 HA GLU 47 3.519 -4.399 4.636 359 1HB GLU 47 HB2 GLU 47 2.447 -2.140 6.257 360 2HB GLU 47 HB1 GLU 47 4.151 -2.538 6.422 361 1HG GLU 47 HG2 GLU 47 4.637 -1.959 4.244 362 2HG GLU 47 HG1 GLU 47 2.972 -2.170 3.707 363 H LYS 48 HN LYS 48 1.540 -5.051 7.376 364 HA LYS 48 HA LYS 48 3.825 -5.967 8.963 365 1HB LYS 48 HB2 LYS 48 1.945 -4.635 10.001 366 2HB LYS 48 HB1 LYS 48 0.900 -6.022 9.722 367 1HG LYS 48 HG2 LYS 48 2.467 -7.386 11.100 368 2HG LYS 48 HG1 LYS 48 3.331 -5.897 11.489 369 1HD LYS 48 HD2 LYS 48 1.925 -5.879 13.259 370 2HD LYS 48 HD1 LYS 48 0.819 -5.148 12.093 371 1HE LYS 48 HE2 LYS 48 -0.568 -6.799 12.728 372 2HE LYS 48 HE1 LYS 48 0.389 -7.778 11.620 373 1HZ LYS 48 HZ1 LYS 48 1.608 -8.689 13.376 374 2HZ LYS 48 HZ2 LYS 48 0.013 -8.684 13.940 375 3HZ LYS 48 HZ3 LYS 48 1.102 -7.509 14.478 376 H TYR 49 HN TYR 49 1.366 -7.104 6.887 377 HA TYR 49 HA TYR 49 1.638 -9.885 7.767 378 1HB TYR 49 HB2 TYR 49 -0.297 -8.386 6.049 379 2HB TYR 49 HB1 TYR 49 -0.074 -10.106 5.755 380 HD1 TYR 49 HD1 TYR 49 -1.145 -11.701 7.101 381 HD2 TYR 49 HD2 TYR 49 -0.992 -7.649 8.385 382 HE1 TYR 49 HE1 TYR 49 -2.722 -12.224 8.913 383 HE2 TYR 49 HE2 TYR 49 -2.566 -8.160 10.204 384 HH TYR 49 HH TYR 49 -4.424 -9.991 10.564 385 H SER 50 HN SER 50 3.651 -10.510 7.018 386 HA SER 50 HA SER 50 4.294 -10.096 4.196 387 1HB SER 50 HB2 SER 50 5.980 -9.726 6.079 388 2HB SER 50 HB1 SER 50 6.016 -11.480 6.257 389 HG SER 50 HG SER 50 7.653 -10.870 4.864 390 H ASN 51 HN ASN 51 2.143 -11.665 4.414 391 HA ASN 51 HA ASN 51 3.081 -14.183 3.361 392 1HB ASN 51 HB2 ASN 51 2.738 -14.430 5.905 393 2HB ASN 51 HB1 ASN 51 1.018 -14.280 5.553 394 1HD2 ASN 51 HD21 ASN 51 2.981 -16.504 6.438 395 2HD2 ASN 51 HD22 ASN 51 2.495 -17.845 5.463 396 H VAL 52 HN VAL 52 0.348 -12.124 4.247 397 HA VAL 52 HA VAL 52 -1.315 -13.303 2.154 398 HB VAL 52 HB VAL 52 -3.154 -12.101 3.111 399 1HG1 VAL 52 HG11 VAL 52 -1.937 -14.102 4.358 400 2HG1 VAL 52 HG12 VAL 52 -3.364 -13.309 5.026 401 3HG1 VAL 52 HG13 VAL 52 -1.757 -12.872 5.608 402 1HG2 VAL 52 HG21 VAL 52 -1.088 -10.337 4.076 403 2HG2 VAL 52 HG22 VAL 52 -2.178 -10.807 5.381 404 3HG2 VAL 52 HG23 VAL 52 -2.822 -10.061 3.920 405 H ILE 53 HN ILE 53 -2.392 -12.010 0.582 406 HA ILE 53 HA ILE 53 -0.853 -9.621 -0.167 407 HB ILE 53 HB ILE 53 -1.100 -11.715 -1.714 408 1HG1 ILE 53 HG12 ILE 53 -1.300 -10.040 -3.717 409 2HG1 ILE 53 HG11 ILE 53 -1.274 -8.821 -2.446 410 1HG2 ILE 53 HG21 ILE 53 -3.596 -10.273 -2.557 411 2HG2 ILE 53 HG22 ILE 53 -3.612 -11.707 -1.529 412 3HG2 ILE 53 HG23 ILE 53 -2.957 -11.798 -3.164 413 1HD1 ILE 53 HD11 ILE 53 0.947 -9.060 -3.162 414 2HD1 ILE 53 HD12 ILE 53 0.845 -10.821 -3.150 415 3HD1 ILE 53 HD13 ILE 53 0.849 -9.928 -1.629 416 H PHE 54 HN PHE 54 -1.747 -7.788 0.340 417 HA PHE 54 HA PHE 54 -4.648 -7.525 0.650 418 1HB PHE 54 HB2 PHE 54 -2.236 -5.972 1.510 419 2HB PHE 54 HB1 PHE 54 -3.745 -5.114 1.327 420 HD1 PHE 54 HD1 PHE 54 -2.431 -8.202 3.050 421 HD2 PHE 54 HD2 PHE 54 -5.051 -4.840 3.128 422 HE1 PHE 54 HE1 PHE 54 -3.069 -8.741 5.366 423 HE2 PHE 54 HE2 PHE 54 -5.701 -5.393 5.436 424 HZ PHE 54 HZ PHE 54 -4.703 -7.340 6.558 425 H LEU 55 HN LEU 55 -5.778 -6.821 -1.154 426 HA LEU 55 HA LEU 55 -4.453 -4.750 -2.730 427 1HB LEU 55 HB2 LEU 55 -4.663 -5.731 -4.687 428 2HB LEU 55 HB1 LEU 55 -4.728 -7.207 -3.745 429 HG LEU 55 HG LEU 55 -7.381 -6.470 -3.920 430 1HD1 LEU 55 HD11 LEU 55 -7.769 -5.981 -6.278 431 2HD1 LEU 55 HD12 LEU 55 -6.029 -5.892 -6.552 432 3HD1 LEU 55 HD13 LEU 55 -6.821 -4.701 -5.521 433 1HD2 LEU 55 HD21 LEU 55 -7.574 -8.364 -5.366 434 2HD2 LEU 55 HD22 LEU 55 -6.291 -8.703 -4.204 435 3HD2 LEU 55 HD23 LEU 55 -5.886 -8.229 -5.854 436 H GLU 56 HN GLU 56 -5.968 -3.497 -4.126 437 HA GLU 56 HA GLU 56 -8.379 -2.938 -2.531 438 1HB GLU 56 HB2 GLU 56 -6.246 -1.376 -2.956 439 2HB GLU 56 HB1 GLU 56 -7.229 -0.908 -4.334 440 1HG GLU 56 HG2 GLU 56 -7.903 0.630 -2.786 441 2HG GLU 56 HG1 GLU 56 -9.102 -0.635 -2.528 442 H VAL 57 HN VAL 57 -10.267 -3.364 -3.499 443 HA VAL 57 HA VAL 57 -10.394 -3.062 -6.430 444 HB VAL 57 HB VAL 57 -12.411 -4.706 -4.953 445 1HG1 VAL 57 HG11 VAL 57 -12.573 -3.946 -7.369 446 2HG1 VAL 57 HG12 VAL 57 -12.777 -5.672 -7.064 447 3HG1 VAL 57 HG13 VAL 57 -11.248 -5.060 -7.697 448 1HG2 VAL 57 HG21 VAL 57 -9.859 -5.873 -6.051 449 2HG2 VAL 57 HG22 VAL 57 -11.126 -6.692 -5.140 450 3HG2 VAL 57 HG23 VAL 57 -10.091 -5.512 -4.338 451 H ASP 58 HN ASP 58 -11.493 -1.364 -7.072 452 HA ASP 58 HA ASP 58 -13.528 -0.219 -5.305 453 1HB ASP 58 HB2 ASP 58 -11.813 1.342 -6.053 454 2HB ASP 58 HB1 ASP 58 -12.114 0.913 -7.735 455 H VAL 59 HN VAL 59 -15.602 -0.633 -5.724 456 HA VAL 59 HA VAL 59 -16.415 -2.239 -7.852 457 HB VAL 59 HB VAL 59 -17.678 -2.056 -5.755 458 1HG1 VAL 59 HG11 VAL 59 -18.947 0.476 -6.669 459 2HG1 VAL 59 HG12 VAL 59 -17.394 0.549 -5.838 460 3HG1 VAL 59 HG13 VAL 59 -18.784 -0.186 -5.042 461 1HG2 VAL 59 HG21 VAL 59 -18.696 -2.814 -7.966 462 2HG2 VAL 59 HG22 VAL 59 -19.489 -1.239 -8.010 463 3HG2 VAL 59 HG23 VAL 59 -19.815 -2.354 -6.683 464 H ASP 60 HN ASP 60 -15.850 1.144 -7.784 465 HA ASP 60 HA ASP 60 -17.627 1.933 -9.840 466 1HB ASP 60 HB2 ASP 60 -16.112 3.343 -8.182 467 2HB ASP 60 HB1 ASP 60 -14.969 3.263 -9.518 468 H ASP 61 HN ASP 61 -14.364 0.666 -9.786 469 HA ASP 61 HA ASP 61 -14.235 0.674 -12.715 470 1HB ASP 61 HB2 ASP 61 -12.091 -0.072 -10.712 471 2HB ASP 61 HB1 ASP 61 -11.875 0.154 -12.446 472 H ALA 62 HN ALA 62 -14.251 -1.461 -9.931 473 HA ALA 62 HA ALA 62 -14.140 -3.819 -11.645 474 1HB ALA 62 HB1 ALA 62 -14.447 -4.246 -8.770 475 2HB ALA 62 HB2 ALA 62 -13.025 -3.298 -9.205 476 3HB ALA 62 HB3 ALA 62 -13.258 -4.906 -9.892 477 H GLN 63 HN GLN 63 -16.415 -2.318 -11.994 478 HA GLN 63 HA GLN 63 -18.585 -3.153 -10.364 479 1HB GLN 63 HB2 GLN 63 -18.356 -1.122 -11.997 480 2HB GLN 63 HB1 GLN 63 -18.950 -2.261 -13.199 481 1HG GLN 63 HG2 GLN 63 -21.003 -2.517 -12.111 482 2HG GLN 63 HG1 GLN 63 -20.396 -1.809 -10.615 483 1HE2 GLN 63 HE21 GLN 63 -22.640 -0.776 -11.321 484 2HE2 GLN 63 HE22 GLN 63 -22.476 0.766 -12.084 485 H ASP 64 HN ASP 64 -16.791 -4.822 -12.666 486 HA ASP 64 HA ASP 64 -19.019 -6.500 -13.520 487 1HB ASP 64 HB2 ASP 64 -16.219 -6.079 -14.439 488 2HB ASP 64 HB1 ASP 64 -16.930 -7.668 -14.705 489 H VAL 65 HN VAL 65 -16.394 -6.517 -11.246 490 HA VAL 65 HA VAL 65 -16.394 -9.381 -10.926 491 HB VAL 65 HB VAL 65 -15.037 -8.812 -8.799 492 1HG1 VAL 65 HG11 VAL 65 -14.272 -8.520 -11.649 493 2HG1 VAL 65 HG12 VAL 65 -13.737 -9.692 -10.445 494 3HG1 VAL 65 HG13 VAL 65 -13.084 -8.053 -10.431 495 1HG2 VAL 65 HG21 VAL 65 -14.017 -6.651 -8.706 496 2HG2 VAL 65 HG22 VAL 65 -15.765 -6.430 -8.732 497 3HG2 VAL 65 HG23 VAL 65 -14.821 -6.151 -10.193 498 H ALA 66 HN ALA 66 -17.627 -6.612 -9.014 499 HA ALA 66 HA ALA 66 -18.596 -7.923 -6.821 500 1HB ALA 66 HB1 ALA 66 -19.124 -5.416 -8.176 501 2HB ALA 66 HB2 ALA 66 -19.081 -5.778 -6.452 502 3HB ALA 66 HB3 ALA 66 -20.562 -6.045 -7.373 503 HA PRO 67 HA PRO 67 -22.913 -8.556 -9.153 504 1HB PRO 67 HB2 PRO 67 -21.695 -8.785 -11.877 505 2HB PRO 67 HB1 PRO 67 -23.287 -8.174 -11.405 506 1HG PRO 67 HG2 PRO 67 -21.381 -6.458 -12.034 507 2HG PRO 67 HG1 PRO 67 -22.417 -6.143 -10.633 508 1HD PRO 67 HD2 PRO 67 -19.610 -7.168 -10.730 509 2HD PRO 67 HD1 PRO 67 -20.348 -6.003 -9.612 510 H LYS 68 HN LYS 68 -19.845 -9.958 -10.071 511 HA LYS 68 HA LYS 68 -20.912 -12.570 -10.619 512 1HB LYS 68 HB2 LYS 68 -18.189 -11.365 -10.462 513 2HB LYS 68 HB1 LYS 68 -18.335 -13.111 -10.312 514 1HG LYS 68 HG2 LYS 68 -19.146 -13.360 -12.467 515 2HG LYS 68 HG1 LYS 68 -19.653 -11.674 -12.578 516 1HD LYS 68 HD2 LYS 68 -17.745 -11.809 -13.931 517 2HD LYS 68 HD1 LYS 68 -17.163 -11.106 -12.420 518 1HE LYS 68 HE2 LYS 68 -15.597 -12.775 -13.085 519 2HE LYS 68 HE1 LYS 68 -16.495 -13.408 -11.705 520 1HZ LYS 68 HZ1 LYS 68 -17.582 -14.932 -12.993 521 2HZ LYS 68 HZ2 LYS 68 -16.109 -14.860 -13.821 522 3HZ LYS 68 HZ3 LYS 68 -17.451 -14.018 -14.412 523 H TYR 69 HN TYR 69 -20.035 -10.825 -7.792 524 HA TYR 69 HA TYR 69 -19.981 -13.301 -6.174 525 1HB TYR 69 HB2 TYR 69 -18.767 -10.579 -5.660 526 2HB TYR 69 HB1 TYR 69 -18.822 -11.877 -4.478 527 HD1 TYR 69 HD1 TYR 69 -17.820 -14.182 -5.366 528 HD2 TYR 69 HD2 TYR 69 -16.865 -10.342 -6.922 529 HE1 TYR 69 HE1 TYR 69 -15.731 -15.086 -6.294 530 HE2 TYR 69 HE2 TYR 69 -14.771 -11.231 -7.854 531 HH TYR 69 HH TYR 69 -14.159 -14.405 -8.290 532 H GLY 70 HN GLY 70 -21.839 -10.669 -6.987 533 1HA GLY 70 HA2 GLY 70 -23.809 -9.828 -6.158 534 2HA GLY 70 HA1 GLY 70 -23.863 -11.245 -5.123 535 H ILE 71 HN ILE 71 -21.402 -8.664 -5.144 536 HA ILE 71 HA ILE 71 -21.649 -8.354 -2.293 537 HB ILE 71 HB ILE 71 -20.084 -6.664 -4.253 538 1HG1 ILE 71 HG12 ILE 71 -19.063 -8.934 -2.541 539 2HG1 ILE 71 HG11 ILE 71 -19.482 -9.112 -4.242 540 1HG2 ILE 71 HG21 ILE 71 -19.121 -6.931 -1.503 541 2HG2 ILE 71 HG22 ILE 71 -20.669 -6.101 -1.649 542 3HG2 ILE 71 HG23 ILE 71 -19.261 -5.501 -2.525 543 1HD1 ILE 71 HD11 ILE 71 -17.809 -7.032 -4.414 544 2HD1 ILE 71 HD12 ILE 71 -17.285 -8.713 -4.509 545 3HD1 ILE 71 HD13 ILE 71 -17.149 -7.833 -2.987 546 H ARG 72 HN ARG 72 -23.933 -7.710 -2.266 547 HA ARG 72 HA ARG 72 -24.587 -5.137 -3.426 548 1HB ARG 72 HB2 ARG 72 -26.207 -7.022 -3.432 549 2HB ARG 72 HB1 ARG 72 -26.287 -6.921 -1.678 550 1HG ARG 72 HG2 ARG 72 -27.670 -5.163 -1.721 551 2HG ARG 72 HG1 ARG 72 -26.794 -4.382 -3.038 552 1HD ARG 72 HD2 ARG 72 -27.945 -5.616 -4.676 553 2HD ARG 72 HD1 ARG 72 -28.547 -6.777 -3.496 554 HE ARG 72 HE ARG 72 -29.770 -4.331 -4.240 555 1HH1 ARG 72 HH11 ARG 72 -29.215 -6.394 -1.483 556 2HH1 ARG 72 HH12 ARG 72 -30.652 -5.890 -0.658 557 1HH2 ARG 72 HH21 ARG 72 -31.653 -3.658 -3.160 558 2HH2 ARG 72 HH22 ARG 72 -32.038 -4.329 -1.610 559 H GLY 73 HN GLY 73 -23.012 -3.950 -2.173 560 1HA GLY 73 HA2 GLY 73 -23.788 -2.164 -0.429 561 2HA GLY 73 HA1 GLY 73 -23.710 -3.543 0.652 562 H ILE 74 HN ILE 74 -22.245 -1.237 1.085 563 HA ILE 74 HA ILE 74 -19.526 -2.296 0.967 564 HB ILE 74 HB ILE 74 -18.602 -0.109 0.275 565 1HG1 ILE 74 HG12 ILE 74 -21.489 0.579 -0.314 566 2HG1 ILE 74 HG11 ILE 74 -20.506 1.291 0.961 567 1HG2 ILE 74 HG21 ILE 74 -19.102 -0.316 -2.086 568 2HG2 ILE 74 HG22 ILE 74 -20.540 -1.269 -1.717 569 3HG2 ILE 74 HG23 ILE 74 -18.938 -1.912 -1.353 570 1HD1 ILE 74 HD11 ILE 74 -20.432 2.877 -0.714 571 2HD1 ILE 74 HD12 ILE 74 -20.322 1.669 -1.994 572 3HD1 ILE 74 HD13 ILE 74 -18.931 1.985 -0.958 573 HA PRO 75 HA PRO 75 -17.536 -1.257 1.422 574 1HB PRO 75 HB2 PRO 75 -15.793 -1.401 3.645 575 2HB PRO 75 HB1 PRO 75 -15.941 -0.063 2.508 576 1HG PRO 75 HG2 PRO 75 -16.623 -0.004 5.218 577 2HG PRO 75 HG1 PRO 75 -17.088 1.192 3.999 578 1HD PRO 75 HD2 PRO 75 -18.662 -1.069 5.140 579 2HD PRO 75 HD1 PRO 75 -19.209 0.533 4.599 580 H THR 76 HN THR 76 -17.594 -3.363 0.814 581 HA THR 76 HA THR 76 -17.837 -5.448 2.816 582 HB THR 76 HB THR 76 -17.480 -6.132 -0.047 583 HG1 THR 76 HG1 THR 76 -19.704 -4.694 0.948 584 1HG2 THR 76 HG21 THR 76 -19.318 -7.643 0.359 585 2HG2 THR 76 HG22 THR 76 -19.544 -6.969 1.973 586 3HG2 THR 76 HG23 THR 76 -18.067 -7.851 1.584 587 H LEU 77 HN LEU 77 -16.297 -6.905 3.350 588 HA LEU 77 HA LEU 77 -13.631 -6.530 2.161 589 1HB LEU 77 HB2 LEU 77 -14.481 -6.671 4.882 590 2HB LEU 77 HB1 LEU 77 -13.547 -8.116 4.551 591 HG LEU 77 HG LEU 77 -11.823 -6.387 3.544 592 1HD1 LEU 77 HD11 LEU 77 -12.983 -4.687 5.716 593 2HD1 LEU 77 HD12 LEU 77 -13.540 -4.522 4.050 594 3HD1 LEU 77 HD13 LEU 77 -11.843 -4.249 4.442 595 1HD2 LEU 77 HD21 LEU 77 -12.295 -7.399 6.274 596 2HD2 LEU 77 HD22 LEU 77 -11.128 -6.085 6.124 597 3HD2 LEU 77 HD23 LEU 77 -10.891 -7.579 5.218 598 H LEU 78 HN LEU 78 -12.876 -8.137 0.943 599 HA LEU 78 HA LEU 78 -14.289 -10.715 1.094 600 1HB LEU 78 HB2 LEU 78 -13.182 -9.146 -1.196 601 2HB LEU 78 HB1 LEU 78 -13.269 -10.887 -1.330 602 HG LEU 78 HG LEU 78 -15.498 -8.884 -1.205 603 1HD1 LEU 78 HD11 LEU 78 -14.331 -10.090 -3.279 604 2HD1 LEU 78 HD12 LEU 78 -16.041 -9.658 -3.259 605 3HD1 LEU 78 HD13 LEU 78 -15.544 -11.309 -2.892 606 1HD2 LEU 78 HD21 LEU 78 -16.929 -11.108 -1.100 607 2HD2 LEU 78 HD22 LEU 78 -16.457 -10.240 0.360 608 3HD2 LEU 78 HD23 LEU 78 -15.549 -11.663 -0.153 609 H LEU 79 HN LEU 79 -13.192 -12.533 1.410 610 HA LEU 79 HA LEU 79 -10.256 -12.368 1.489 611 1HB LEU 79 HB2 LEU 79 -12.254 -13.516 3.311 612 2HB LEU 79 HB1 LEU 79 -10.905 -14.581 2.972 613 HG LEU 79 HG LEU 79 -10.597 -13.234 5.023 614 1HD1 LEU 79 HD11 LEU 79 -8.744 -13.156 2.715 615 2HD1 LEU 79 HD12 LEU 79 -8.542 -13.880 4.310 616 3HD1 LEU 79 HD13 LEU 79 -8.353 -12.139 4.102 617 1HD2 LEU 79 HD21 LEU 79 -11.771 -11.208 3.821 618 2HD2 LEU 79 HD22 LEU 79 -10.113 -10.808 3.370 619 3HD2 LEU 79 HD23 LEU 79 -10.555 -10.948 5.071 620 H PHE 80 HN PHE 80 -9.319 -13.421 -0.112 621 HA PHE 80 HA PHE 80 -10.734 -15.697 -1.326 622 1HB PHE 80 HB2 PHE 80 -8.805 -13.672 -2.414 623 2HB PHE 80 HB1 PHE 80 -8.996 -15.222 -3.217 624 HD1 PHE 80 HD1 PHE 80 -10.608 -12.060 -2.351 625 HD2 PHE 80 HD2 PHE 80 -11.017 -15.761 -4.415 626 HE1 PHE 80 HE1 PHE 80 -12.581 -11.179 -3.529 627 HE2 PHE 80 HE2 PHE 80 -12.991 -14.888 -5.598 628 HZ PHE 80 HZ PHE 80 -13.775 -12.594 -5.156 629 H LYS 81 HN LYS 81 -9.644 -17.595 -1.819 630 HA LYS 81 HA LYS 81 -6.916 -17.967 -0.874 631 1HB LYS 81 HB2 LYS 81 -8.864 -18.458 0.908 632 2HB LYS 81 HB1 LYS 81 -8.860 -20.006 0.076 633 1HG LYS 81 HG2 LYS 81 -6.944 -20.640 1.028 634 2HG LYS 81 HG1 LYS 81 -6.194 -19.058 0.792 635 1HD LYS 81 HD2 LYS 81 -7.751 -18.291 2.705 636 2HD LYS 81 HD1 LYS 81 -7.924 -20.014 3.048 637 1HE LYS 81 HE2 LYS 81 -5.283 -18.570 2.862 638 2HE LYS 81 HE1 LYS 81 -6.141 -18.879 4.371 639 1HZ LYS 81 HZ1 LYS 81 -4.386 -20.525 3.849 640 2HZ LYS 81 HZ2 LYS 81 -5.273 -21.007 2.491 641 3HZ LYS 81 HZ3 LYS 81 -5.919 -21.218 4.040 642 H ASN 82 HN ASN 82 -5.951 -18.893 -2.588 643 HA ASN 82 HA ASN 82 -5.562 -20.222 -4.400 644 1HB ASN 82 HB2 ASN 82 -7.664 -22.121 -3.390 645 2HB ASN 82 HB1 ASN 82 -6.172 -22.485 -4.248 646 1HD2 ASN 82 HD21 ASN 82 -4.194 -21.448 -2.925 647 2HD2 ASN 82 HD22 ASN 82 -4.158 -21.946 -1.272 648 H GLY 83 HN GLY 83 -7.220 -18.149 -4.917 649 1HA GLY 83 HA2 GLY 83 -8.568 -17.416 -6.625 650 2HA GLY 83 HA1 GLY 83 -8.579 -19.056 -7.236 651 H GLU 84 HN GLU 84 -9.650 -19.159 -4.081 652 HA GLU 84 HA GLU 84 -12.444 -18.825 -4.944 653 1HB GLU 84 HB2 GLU 84 -11.406 -21.240 -4.587 654 2HB GLU 84 HB1 GLU 84 -11.767 -20.888 -2.904 655 1HG GLU 84 HG2 GLU 84 -14.101 -20.193 -4.118 656 2HG GLU 84 HG1 GLU 84 -13.559 -21.537 -5.122 657 H VAL 85 HN VAL 85 -13.849 -17.925 -3.540 658 HA VAL 85 HA VAL 85 -12.817 -16.272 -1.464 659 HB VAL 85 HB VAL 85 -14.800 -15.629 -2.751 660 1HG1 VAL 85 HG11 VAL 85 -16.710 -16.811 -2.898 661 2HG1 VAL 85 HG12 VAL 85 -16.625 -17.367 -1.226 662 3HG1 VAL 85 HG13 VAL 85 -15.663 -18.165 -2.472 663 1HG2 VAL 85 HG21 VAL 85 -14.322 -15.104 -0.168 664 2HG2 VAL 85 HG22 VAL 85 -15.914 -15.850 -0.020 665 3HG2 VAL 85 HG23 VAL 85 -15.695 -14.434 -1.049 666 H ALA 86 HN ALA 86 -12.297 -16.905 0.563 667 HA ALA 86 HA ALA 86 -13.738 -19.206 1.694 668 1HB ALA 86 HB1 ALA 86 -10.884 -18.367 2.110 669 2HB ALA 86 HB2 ALA 86 -11.468 -19.821 1.303 670 3HB ALA 86 HB3 ALA 86 -11.686 -19.630 3.043 671 H ALA 87 HN ALA 87 -13.949 -16.104 1.892 672 HA ALA 87 HA ALA 87 -15.067 -16.056 4.478 673 1HB ALA 87 HB1 ALA 87 -12.248 -15.515 4.361 674 2HB ALA 87 HB2 ALA 87 -13.308 -15.658 5.763 675 3HB ALA 87 HB3 ALA 87 -13.126 -14.105 4.950 676 H THR 88 HN THR 88 -16.382 -14.302 4.769 677 HA THR 88 HA THR 88 -16.111 -12.064 2.889 678 HB THR 88 HB THR 88 -17.790 -13.310 1.818 679 HG1 THR 88 HG1 THR 88 -19.291 -11.656 3.551 680 1HG2 THR 88 HG21 THR 88 -18.576 -15.027 3.044 681 2HG2 THR 88 HG22 THR 88 -19.891 -13.894 3.355 682 3HG2 THR 88 HG23 THR 88 -18.600 -14.094 4.540 683 H LYS 89 HN LYS 89 -16.683 -10.054 3.694 684 HA LYS 89 HA LYS 89 -17.952 -9.918 6.314 685 1HB LYS 89 HB2 LYS 89 -15.147 -9.527 5.873 686 2HB LYS 89 HB1 LYS 89 -15.866 -7.985 6.314 687 1HG LYS 89 HG2 LYS 89 -16.220 -10.520 7.897 688 2HG LYS 89 HG1 LYS 89 -14.986 -9.302 8.229 689 1HD LYS 89 HD2 LYS 89 -16.717 -7.628 8.589 690 2HD LYS 89 HD1 LYS 89 -17.965 -8.819 8.214 691 1HE LYS 89 HE2 LYS 89 -16.884 -10.186 10.131 692 2HE LYS 89 HE1 LYS 89 -16.165 -8.646 10.602 693 1HZ LYS 89 HZ1 LYS 89 -18.619 -7.833 10.388 694 2HZ LYS 89 HZ2 LYS 89 -18.098 -8.619 11.793 695 3HZ LYS 89 HZ3 LYS 89 -18.980 -9.469 10.628 696 H VAL 90 HN VAL 90 -19.269 -8.164 6.528 697 HA VAL 90 HA VAL 90 -19.229 -6.201 4.330 698 HB VAL 90 HB VAL 90 -21.715 -7.000 5.830 699 1HG1 VAL 90 HG11 VAL 90 -22.817 -5.990 3.858 700 2HG1 VAL 90 HG12 VAL 90 -21.228 -5.532 3.242 701 3HG1 VAL 90 HG13 VAL 90 -21.820 -4.840 4.752 702 1HG2 VAL 90 HG21 VAL 90 -20.502 -8.170 3.345 703 2HG2 VAL 90 HG22 VAL 90 -22.236 -8.246 3.656 704 3HG2 VAL 90 HG23 VAL 90 -21.104 -9.005 4.777 705 H GLY 91 HN GLY 91 -19.653 -4.025 4.803 706 1HA GLY 91 HA2 GLY 91 -19.990 -2.168 6.128 707 2HA GLY 91 HA1 GLY 91 -20.271 -3.226 7.497 708 H ALA 92 HN ALA 92 -18.793 -0.858 7.613 709 HA ALA 92 HA ALA 92 -16.006 -1.288 7.416 710 1HB ALA 92 HB1 ALA 92 -15.783 0.770 8.668 711 2HB ALA 92 HB2 ALA 92 -17.477 0.691 9.153 712 3HB ALA 92 HB3 ALA 92 -17.055 0.939 7.458 713 H LEU 93 HN LEU 93 -14.582 -2.180 8.780 714 HA LEU 93 HA LEU 93 -15.576 -3.050 11.410 715 1HB LEU 93 HB2 LEU 93 -13.467 -4.664 11.061 716 2HB LEU 93 HB1 LEU 93 -15.087 -5.079 10.541 717 HG LEU 93 HG LEU 93 -13.147 -3.742 8.676 718 1HD1 LEU 93 HD11 LEU 93 -11.975 -5.679 9.421 719 2HD1 LEU 93 HD12 LEU 93 -12.641 -6.029 7.827 720 3HD1 LEU 93 HD13 LEU 93 -13.419 -6.679 9.269 721 1HD2 LEU 93 HD21 LEU 93 -14.632 -5.300 7.131 722 2HD2 LEU 93 HD22 LEU 93 -15.165 -3.691 7.617 723 3HD2 LEU 93 HD23 LEU 93 -15.774 -5.113 8.463 724 H SER 94 HN SER 94 -13.320 -3.684 12.710 725 HA SER 94 HA SER 94 -11.885 -1.119 12.830 726 1HB SER 94 HB2 SER 94 -13.312 -2.037 14.826 727 2HB SER 94 HB1 SER 94 -11.915 -3.079 15.102 728 HG SER 94 HG SER 94 -11.625 -1.210 16.277 729 H LYS 95 HN LYS 95 -9.620 -1.272 13.664 730 HA LYS 95 HA LYS 95 -8.039 -2.827 11.990 731 1HB LYS 95 HB2 LYS 95 -7.256 -0.785 13.142 732 2HB LYS 95 HB1 LYS 95 -7.257 -1.658 14.668 733 1HG LYS 95 HG2 LYS 95 -5.200 -2.367 14.282 734 2HG LYS 95 HG1 LYS 95 -5.733 -3.156 12.797 735 1HD LYS 95 HD2 LYS 95 -5.505 -0.931 11.654 736 2HD LYS 95 HD1 LYS 95 -4.747 -0.329 13.129 737 1HE LYS 95 HE2 LYS 95 -3.453 -2.749 12.472 738 2HE LYS 95 HE1 LYS 95 -3.583 -1.820 10.979 739 1HZ LYS 95 HZ1 LYS 95 -2.418 -0.029 11.926 740 2HZ LYS 95 HZ2 LYS 95 -1.546 -1.407 12.375 741 3HZ LYS 95 HZ3 LYS 95 -2.556 -0.644 13.496 742 H GLY 96 HN GLY 96 -9.157 -3.452 15.279 743 1HA GLY 96 HA2 GLY 96 -7.584 -5.823 15.564 744 2HA GLY 96 HA1 GLY 96 -8.857 -5.284 16.643 745 H GLN 97 HN GLN 97 -10.852 -5.139 14.470 746 HA GLN 97 HA GLN 97 -11.665 -7.891 14.572 747 1HB GLN 97 HB2 GLN 97 -12.947 -5.706 12.938 748 2HB GLN 97 HB1 GLN 97 -13.682 -7.195 13.516 749 1HG GLN 97 HG2 GLN 97 -13.729 -6.422 15.745 750 2HG GLN 97 HG1 GLN 97 -12.662 -5.069 15.374 751 1HE2 GLN 97 HE21 GLN 97 -14.865 -4.447 16.674 752 2HE2 GLN 97 HE22 GLN 97 -16.023 -3.680 15.646 753 H LEU 98 HN LEU 98 -10.206 -5.772 12.217 754 HA LEU 98 HA LEU 98 -10.599 -7.523 9.984 755 1HB LEU 98 HB2 LEU 98 -9.881 -4.929 10.157 756 2HB LEU 98 HB1 LEU 98 -8.299 -5.656 9.941 757 HG LEU 98 HG LEU 98 -10.570 -6.279 8.074 758 1HD1 LEU 98 HD11 LEU 98 -10.080 -4.490 6.694 759 2HD1 LEU 98 HD12 LEU 98 -8.519 -4.194 7.460 760 3HD1 LEU 98 HD13 LEU 98 -10.008 -3.765 8.301 761 1HD2 LEU 98 HD21 LEU 98 -8.577 -7.737 8.094 762 2HD2 LEU 98 HD22 LEU 98 -7.582 -6.335 7.702 763 3HD2 LEU 98 HD23 LEU 98 -8.803 -6.897 6.561 764 H LYS 99 HN LYS 99 -7.848 -6.772 12.088 765 HA LYS 99 HA LYS 99 -6.045 -8.624 10.998 766 1HB LYS 99 HB2 LYS 99 -5.745 -6.684 12.770 767 2HB LYS 99 HB1 LYS 99 -5.972 -7.994 13.919 768 1HG LYS 99 HG2 LYS 99 -4.123 -9.202 12.625 769 2HG LYS 99 HG1 LYS 99 -3.783 -7.625 11.907 770 1HD LYS 99 HD2 LYS 99 -2.345 -7.712 13.738 771 2HD LYS 99 HD1 LYS 99 -3.715 -6.774 14.336 772 1HE LYS 99 HE2 LYS 99 -4.613 -9.073 15.134 773 2HE LYS 99 HE1 LYS 99 -2.941 -9.600 14.945 774 1HZ LYS 99 HZ1 LYS 99 -3.899 -7.384 16.675 775 2HZ LYS 99 HZ2 LYS 99 -2.276 -7.796 16.446 776 3HZ LYS 99 HZ3 LYS 99 -3.326 -8.890 17.194 777 H GLU 100 HN GLU 100 -8.356 -8.922 13.679 778 HA GLU 100 HA GLU 100 -7.608 -11.525 14.447 779 1HB GLU 100 HB2 GLU 100 -9.471 -11.539 15.840 780 2HB GLU 100 HB1 GLU 100 -9.107 -9.829 15.693 781 1HG GLU 100 HG2 GLU 100 -11.304 -9.668 15.334 782 2HG GLU 100 HG1 GLU 100 -10.873 -10.111 13.686 783 H PHE 101 HN PHE 101 -9.914 -10.337 12.051 784 HA PHE 101 HA PHE 101 -11.065 -12.825 11.378 785 1HB PHE 101 HB2 PHE 101 -11.975 -10.569 10.758 786 2HB PHE 101 HB1 PHE 101 -10.678 -10.419 9.578 787 HD1 PHE 101 HD1 PHE 101 -13.128 -13.083 10.515 788 HD2 PHE 101 HD2 PHE 101 -11.383 -10.727 7.431 789 HE1 PHE 101 HE1 PHE 101 -14.506 -14.253 8.847 790 HE2 PHE 101 HE2 PHE 101 -12.759 -11.893 5.756 791 HZ PHE 101 HZ PHE 101 -14.322 -13.659 6.463 792 H LEU 102 HN LEU 102 -8.257 -11.069 10.151 793 HA LEU 102 HA LEU 102 -7.680 -12.899 8.053 794 1HB LEU 102 HB2 LEU 102 -6.447 -10.525 9.224 795 2HB LEU 102 HB1 LEU 102 -5.268 -11.707 8.678 796 HG LEU 102 HG LEU 102 -7.506 -10.729 6.916 797 1HD1 LEU 102 HD11 LEU 102 -6.025 -9.140 5.934 798 2HD1 LEU 102 HD12 LEU 102 -4.690 -9.669 6.957 799 3HD1 LEU 102 HD13 LEU 102 -6.073 -8.838 7.671 800 1HD2 LEU 102 HD21 LEU 102 -6.564 -11.935 5.265 801 2HD2 LEU 102 HD22 LEU 102 -5.918 -12.876 6.610 802 3HD2 LEU 102 HD23 LEU 102 -4.923 -11.641 5.837 803 H ASP 103 HN ASP 103 -6.114 -12.400 11.228 804 HA ASP 103 HA ASP 103 -4.348 -14.520 11.166 805 1HB ASP 103 HB2 ASP 103 -5.022 -12.691 13.050 806 2HB ASP 103 HB1 ASP 103 -5.742 -14.137 13.752 807 H ALA 104 HN ALA 104 -7.803 -14.543 11.787 808 HA ALA 104 HA ALA 104 -7.916 -17.268 12.642 809 1HB ALA 104 HB1 ALA 104 -9.585 -15.368 13.121 810 2HB ALA 104 HB2 ALA 104 -10.210 -16.991 12.826 811 3HB ALA 104 HB3 ALA 104 -10.267 -15.778 11.547 812 H ASN 105 HN ASN 105 -7.774 -15.750 9.540 813 HA ASN 105 HA ASN 105 -8.749 -18.219 8.258 814 1HB ASN 105 HB2 ASN 105 -9.484 -15.663 7.724 815 2HB ASN 105 HB1 ASN 105 -8.165 -15.856 6.574 816 1HD2 ASN 105 HD21 ASN 105 -9.663 -15.698 4.869 817 2HD2 ASN 105 HD22 ASN 105 -10.681 -17.027 4.439 818 H LEU 106 HN LEU 106 -6.025 -16.027 8.477 819 HA LEU 106 HA LEU 106 -4.452 -17.236 6.437 820 1HB LEU 106 HB2 LEU 106 -4.061 -14.957 7.271 821 2HB LEU 106 HB1 LEU 106 -3.616 -15.614 8.830 822 HG LEU 106 HG LEU 106 -1.665 -16.708 7.832 823 1HD1 LEU 106 HD11 LEU 106 -1.934 -17.208 5.656 824 2HD1 LEU 106 HD12 LEU 106 -1.213 -15.618 5.414 825 3HD1 LEU 106 HD13 LEU 106 -2.965 -15.809 5.350 826 1HD2 LEU 106 HD21 LEU 106 -0.583 -14.454 6.994 827 2HD2 LEU 106 HD22 LEU 106 -1.005 -14.694 8.690 828 3HD2 LEU 106 HD23 LEU 106 -2.076 -13.769 7.638 829 H VAL 107 HN VAL 107 -4.215 -19.384 6.659 830 HA VAL 107 HA VAL 107 -2.274 -20.454 8.339 831 HB VAL 107 HB VAL 107 -3.785 -20.104 10.186 832 1HG1 VAL 107 HG11 VAL 107 -5.774 -21.402 8.371 833 2HG1 VAL 107 HG12 VAL 107 -5.902 -19.893 9.277 834 3HG1 VAL 107 HG13 VAL 107 -5.995 -21.440 10.119 835 1HG2 VAL 107 HG21 VAL 107 -2.535 -22.404 9.747 836 2HG2 VAL 107 HG22 VAL 107 -4.191 -23.010 9.756 837 3HG2 VAL 107 HG23 VAL 107 -3.561 -22.147 11.159 Start of MODEL 4 1 1H MET 1 HT1 MET 1 3.563 -6.125 -0.635 2 2H MET 1 HT2 MET 1 2.069 -6.961 -0.762 3 3H MET 1 HT3 MET 1 2.100 -5.328 -0.232 4 HA MET 1 HA MET 1 2.905 -4.628 -2.351 5 1HB MET 1 HB2 MET 1 2.907 -7.594 -2.780 6 2HB MET 1 HB1 MET 1 2.662 -6.523 -4.154 7 1HG MET 1 HG2 MET 1 4.940 -5.865 -2.413 8 2HG MET 1 HG1 MET 1 5.068 -7.376 -3.312 9 1HE MET 1 HE1 MET 1 6.220 -3.459 -4.297 10 2HE MET 1 HE2 MET 1 7.333 -4.782 -4.644 11 3HE MET 1 HE3 MET 1 6.538 -4.686 -3.072 12 H VAL 2 HN VAL 2 0.934 -3.548 -1.955 13 HA VAL 2 HA VAL 2 -1.555 -4.889 -2.600 14 HB VAL 2 HB VAL 2 -1.060 -1.998 -1.859 15 1HG1 VAL 2 HG11 VAL 2 -3.333 -3.143 -2.981 16 2HG1 VAL 2 HG12 VAL 2 -3.231 -1.596 -2.149 17 3HG1 VAL 2 HG13 VAL 2 -3.689 -3.046 -1.259 18 1HG2 VAL 2 HG21 VAL 2 -1.075 -2.555 0.306 19 2HG2 VAL 2 HG22 VAL 2 -0.731 -4.194 -0.246 20 3HG2 VAL 2 HG23 VAL 2 -2.392 -3.709 0.094 21 H LYS 3 HN LYS 3 -2.883 -4.420 -4.348 22 HA LYS 3 HA LYS 3 -1.918 -2.507 -6.331 23 1HB LYS 3 HB2 LYS 3 -2.323 -4.305 -8.118 24 2HB LYS 3 HB1 LYS 3 -0.837 -4.412 -7.184 25 1HG LYS 3 HG2 LYS 3 -2.683 -5.921 -5.746 26 2HG LYS 3 HG1 LYS 3 -2.998 -6.308 -7.438 27 1HD LYS 3 HD2 LYS 3 -0.267 -6.381 -6.162 28 2HD LYS 3 HD1 LYS 3 -1.314 -7.789 -6.345 29 1HE LYS 3 HE2 LYS 3 -0.847 -6.209 -8.790 30 2HE LYS 3 HE1 LYS 3 0.561 -7.053 -8.144 31 1HZ LYS 3 HZ1 LYS 3 -1.062 -8.219 -9.808 32 2HZ LYS 3 HZ2 LYS 3 -1.957 -8.533 -8.406 33 3HZ LYS 3 HZ3 LYS 3 -0.362 -9.086 -8.533 34 H GLN 4 HN GLN 4 -3.567 -1.322 -6.965 35 HA GLN 4 HA GLN 4 -6.241 -2.029 -6.271 36 1HB GLN 4 HB2 GLN 4 -5.544 0.290 -6.210 37 2HB GLN 4 HB1 GLN 4 -5.139 0.253 -7.921 38 1HG GLN 4 HG2 GLN 4 -7.245 0.640 -8.540 39 2HG GLN 4 HG1 GLN 4 -7.895 -0.516 -7.380 40 1HE2 GLN 4 HE21 GLN 4 -9.458 0.577 -6.388 41 2HE2 GLN 4 HE22 GLN 4 -9.264 2.097 -5.587 42 H ILE 5 HN ILE 5 -7.742 -3.013 -7.484 43 HA ILE 5 HA ILE 5 -7.023 -3.724 -10.244 44 HB ILE 5 HB ILE 5 -8.522 -5.108 -8.094 45 1HG1 ILE 5 HG12 ILE 5 -7.320 -6.998 -8.828 46 2HG1 ILE 5 HG11 ILE 5 -7.061 -6.320 -10.429 47 1HG2 ILE 5 HG21 ILE 5 -9.731 -6.546 -9.697 48 2HG2 ILE 5 HG22 ILE 5 -9.287 -5.435 -10.990 49 3HG2 ILE 5 HG23 ILE 5 -10.325 -4.887 -9.676 50 1HD1 ILE 5 HD11 ILE 5 -5.207 -6.393 -8.467 51 2HD1 ILE 5 HD12 ILE 5 -5.872 -4.777 -8.238 52 3HD1 ILE 5 HD13 ILE 5 -5.202 -5.242 -9.802 53 H GLU 6 HN GLU 6 -7.841 -2.358 -11.684 54 HA GLU 6 HA GLU 6 -10.466 -1.158 -11.198 55 1HB GLU 6 HB2 GLU 6 -8.060 -0.337 -12.729 56 2HB GLU 6 HB1 GLU 6 -9.621 0.168 -13.360 57 1HG GLU 6 HG2 GLU 6 -10.140 1.242 -11.232 58 2HG GLU 6 HG1 GLU 6 -8.581 0.727 -10.590 59 H SER 7 HN SER 7 -9.853 -3.940 -12.310 60 HA SER 7 HA SER 7 -11.873 -3.828 -14.369 61 1HB SER 7 HB2 SER 7 -9.009 -4.252 -14.989 62 2HB SER 7 HB1 SER 7 -10.142 -5.357 -15.769 63 HG SER 7 HG SER 7 -10.360 -3.764 -17.131 64 H LYS 8 HN LYS 8 -12.593 -5.988 -15.047 65 HA LYS 8 HA LYS 8 -12.775 -7.745 -12.814 66 1HB LYS 8 HB2 LYS 8 -14.652 -7.510 -14.315 67 2HB LYS 8 HB1 LYS 8 -13.679 -8.031 -15.683 68 1HG LYS 8 HG2 LYS 8 -13.667 -10.005 -13.573 69 2HG LYS 8 HG1 LYS 8 -15.310 -9.609 -14.084 70 1HD LYS 8 HD2 LYS 8 -15.057 -10.649 -16.050 71 2HD LYS 8 HD1 LYS 8 -13.470 -9.926 -16.322 72 1HE LYS 8 HE2 LYS 8 -12.915 -11.694 -14.336 73 2HE LYS 8 HE1 LYS 8 -14.194 -12.545 -15.200 74 1HZ LYS 8 HZ1 LYS 8 -12.944 -12.445 -17.204 75 2HZ LYS 8 HZ2 LYS 8 -11.906 -13.023 -16.002 76 3HZ LYS 8 HZ3 LYS 8 -11.787 -11.418 -16.520 77 H THR 9 HN THR 9 -10.776 -7.614 -15.664 78 HA THR 9 HA THR 9 -9.874 -10.340 -15.453 79 HB THR 9 HB THR 9 -8.376 -8.252 -16.987 80 HG1 THR 9 HG1 THR 9 -10.124 -7.741 -18.004 81 1HG2 THR 9 HG21 THR 9 -8.533 -10.159 -18.710 82 2HG2 THR 9 HG22 THR 9 -8.981 -11.154 -17.326 83 3HG2 THR 9 HG23 THR 9 -7.426 -10.325 -17.347 84 H ALA 10 HN ALA 10 -8.828 -7.209 -14.309 85 HA ALA 10 HA ALA 10 -6.173 -7.918 -13.638 86 1HB ALA 10 HB1 ALA 10 -7.968 -5.773 -12.505 87 2HB ALA 10 HB2 ALA 10 -6.800 -5.598 -13.816 88 3HB ALA 10 HB3 ALA 10 -6.241 -5.917 -12.175 89 H PHE 11 HN PHE 11 -9.230 -8.087 -11.857 90 HA PHE 11 HA PHE 11 -8.205 -8.750 -9.330 91 1HB PHE 11 HB2 PHE 11 -10.648 -8.227 -10.048 92 2HB PHE 11 HB1 PHE 11 -10.757 -9.946 -10.408 93 HD1 PHE 11 HD1 PHE 11 -9.032 -8.200 -7.613 94 HD2 PHE 11 HD2 PHE 11 -12.162 -10.831 -8.792 95 HE1 PHE 11 HE1 PHE 11 -9.528 -8.659 -5.251 96 HE2 PHE 11 HE2 PHE 11 -12.664 -11.294 -6.428 97 HZ PHE 11 HZ PHE 11 -11.345 -10.209 -4.655 98 H GLN 12 HN GLN 12 -9.038 -10.792 -12.097 99 HA GLN 12 HA GLN 12 -8.439 -13.263 -10.835 100 1HB GLN 12 HB2 GLN 12 -8.341 -12.573 -13.782 101 2HB GLN 12 HB1 GLN 12 -8.364 -14.196 -13.108 102 1HG GLN 12 HG2 GLN 12 -10.563 -12.153 -13.084 103 2HG GLN 12 HG1 GLN 12 -10.544 -13.722 -13.880 104 1HE2 GLN 12 HE21 GLN 12 -9.281 -14.957 -11.461 105 2HE2 GLN 12 HE22 GLN 12 -10.580 -15.144 -10.341 106 H GLU 13 HN GLU 13 -6.572 -11.037 -12.861 107 HA GLU 13 HA GLU 13 -4.222 -12.511 -13.080 108 1HB GLU 13 HB2 GLU 13 -4.843 -9.581 -13.171 109 2HB GLU 13 HB1 GLU 13 -3.173 -10.127 -13.240 110 1HG GLU 13 HG2 GLU 13 -3.842 -11.577 -15.181 111 2HG GLU 13 HG1 GLU 13 -5.388 -10.733 -15.174 112 H ALA 14 HN ALA 14 -5.173 -10.132 -10.607 113 HA ALA 14 HA ALA 14 -2.751 -10.259 -9.152 114 1HB ALA 14 HB1 ALA 14 -4.321 -9.402 -7.256 115 2HB ALA 14 HB2 ALA 14 -5.510 -9.279 -8.552 116 3HB ALA 14 HB3 ALA 14 -3.998 -8.379 -8.656 117 H LEU 15 HN LEU 15 -5.678 -12.161 -9.127 118 HA LEU 15 HA LEU 15 -5.223 -13.510 -6.674 119 1HB LEU 15 HB2 LEU 15 -6.975 -13.929 -9.054 120 2HB LEU 15 HB1 LEU 15 -6.776 -15.250 -7.920 121 HG LEU 15 HG LEU 15 -7.707 -12.494 -7.120 122 1HD1 LEU 15 HD11 LEU 15 -9.511 -13.124 -8.360 123 2HD1 LEU 15 HD12 LEU 15 -9.905 -13.933 -6.843 124 3HD1 LEU 15 HD13 LEU 15 -9.184 -14.847 -8.167 125 1HD2 LEU 15 HD21 LEU 15 -8.560 -13.855 -5.144 126 2HD2 LEU 15 HD22 LEU 15 -6.820 -13.582 -5.238 127 3HD2 LEU 15 HD23 LEU 15 -7.496 -15.140 -5.715 128 H ASP 16 HN ASP 16 -4.339 -14.167 -10.026 129 HA ASP 16 HA ASP 16 -3.376 -16.783 -9.691 130 1HB ASP 16 HB2 ASP 16 -2.424 -14.668 -11.639 131 2HB ASP 16 HB1 ASP 16 -2.132 -16.399 -11.776 132 H ALA 17 HN ALA 17 -1.907 -13.640 -9.138 133 HA ALA 17 HA ALA 17 0.726 -14.687 -8.663 134 1HB ALA 17 HB1 ALA 17 0.288 -12.371 -9.480 135 2HB ALA 17 HB2 ALA 17 1.328 -12.447 -8.058 136 3HB ALA 17 HB3 ALA 17 -0.366 -11.985 -7.887 137 H ALA 18 HN ALA 18 -2.157 -14.258 -6.831 138 HA ALA 18 HA ALA 18 -1.035 -14.063 -4.238 139 1HB ALA 18 HB1 ALA 18 -3.177 -13.555 -3.918 140 2HB ALA 18 HB2 ALA 18 -3.482 -15.291 -3.896 141 3HB ALA 18 HB3 ALA 18 -3.680 -14.380 -5.392 142 H GLY 19 HN GLY 19 -1.822 -16.839 -6.330 143 1HA GLY 19 HA2 GLY 19 -1.364 -19.049 -6.084 144 2HA GLY 19 HA1 GLY 19 -0.008 -18.527 -5.098 145 H ASP 20 HN ASP 20 0.036 -19.533 -3.218 146 HA ASP 20 HA ASP 20 -2.455 -20.517 -2.062 147 1HB ASP 20 HB2 ASP 20 -0.138 -21.795 -2.345 148 2HB ASP 20 HB1 ASP 20 0.180 -21.049 -0.780 149 H LYS 21 HN LYS 21 -0.973 -17.666 -1.924 150 HA LYS 21 HA LYS 21 -0.836 -17.256 0.909 151 1HB LYS 21 HB2 LYS 21 -0.760 -15.332 -1.420 152 2HB LYS 21 HB1 LYS 21 -0.544 -14.859 0.260 153 1HG LYS 21 HG2 LYS 21 1.523 -15.881 0.420 154 2HG LYS 21 HG1 LYS 21 1.211 -16.952 -0.947 155 1HD LYS 21 HD2 LYS 21 1.209 -14.902 -2.412 156 2HD LYS 21 HD1 LYS 21 1.798 -13.999 -1.014 157 1HE LYS 21 HE2 LYS 21 3.801 -15.270 -0.930 158 2HE LYS 21 HE1 LYS 21 3.179 -16.448 -2.086 159 1HZ LYS 21 HZ1 LYS 21 3.470 -15.006 -3.843 160 2HZ LYS 21 HZ2 LYS 21 4.813 -14.638 -2.882 161 3HZ LYS 21 HZ3 LYS 21 3.461 -13.622 -2.868 162 H LEU 22 HN LEU 22 -2.282 -15.960 2.127 163 HA LEU 22 HA LEU 22 -5.026 -16.219 1.315 164 1HB LEU 22 HB2 LEU 22 -4.550 -16.538 3.635 165 2HB LEU 22 HB1 LEU 22 -3.687 -15.017 3.738 166 HG LEU 22 HG LEU 22 -5.679 -13.751 3.695 167 1HD1 LEU 22 HD11 LEU 22 -6.740 -16.054 2.287 168 2HD1 LEU 22 HD12 LEU 22 -7.283 -14.377 2.281 169 3HD1 LEU 22 HD13 LEU 22 -7.836 -15.478 3.542 170 1HD2 LEU 22 HD21 LEU 22 -6.935 -14.600 5.573 171 2HD2 LEU 22 HD22 LEU 22 -5.214 -14.892 5.819 172 3HD2 LEU 22 HD23 LEU 22 -6.270 -16.214 5.324 173 H VAL 23 HN VAL 23 -6.305 -14.668 0.431 174 HA VAL 23 HA VAL 23 -5.042 -12.057 -0.033 175 HB VAL 23 HB VAL 23 -7.278 -13.189 -1.682 176 1HG1 VAL 23 HG11 VAL 23 -7.214 -11.072 -2.421 177 2HG1 VAL 23 HG12 VAL 23 -5.759 -11.583 -3.278 178 3HG1 VAL 23 HG13 VAL 23 -5.626 -10.774 -1.716 179 1HG2 VAL 23 HG21 VAL 23 -4.315 -13.462 -2.172 180 2HG2 VAL 23 HG22 VAL 23 -5.586 -13.892 -3.316 181 3HG2 VAL 23 HG23 VAL 23 -5.434 -14.771 -1.795 182 H VAL 24 HN VAL 24 -5.760 -10.554 1.245 183 HA VAL 24 HA VAL 24 -8.602 -10.532 1.987 184 HB VAL 24 HB VAL 24 -7.092 -10.547 3.916 185 1HG1 VAL 24 HG11 VAL 24 -5.492 -8.890 2.306 186 2HG1 VAL 24 HG12 VAL 24 -5.152 -9.476 3.934 187 3HG1 VAL 24 HG13 VAL 24 -5.958 -7.924 3.706 188 1HG2 VAL 24 HG21 VAL 24 -8.761 -9.364 4.805 189 2HG2 VAL 24 HG22 VAL 24 -8.960 -8.401 3.341 190 3HG2 VAL 24 HG23 VAL 24 -7.759 -7.936 4.546 191 H VAL 25 HN VAL 25 -9.773 -9.244 0.746 192 HA VAL 25 HA VAL 25 -8.530 -6.760 -0.231 193 HB VAL 25 HB VAL 25 -10.101 -7.036 -2.235 194 1HG1 VAL 25 HG11 VAL 25 -7.945 -9.121 -2.007 195 2HG1 VAL 25 HG12 VAL 25 -7.596 -7.400 -2.166 196 3HG1 VAL 25 HG13 VAL 25 -8.468 -8.247 -3.445 197 1HG2 VAL 25 HG21 VAL 25 -11.349 -8.933 -1.062 198 2HG2 VAL 25 HG22 VAL 25 -9.973 -9.941 -1.508 199 3HG2 VAL 25 HG23 VAL 25 -10.936 -9.157 -2.761 200 H ASP 26 HN ASP 26 -10.157 -5.117 -0.945 201 HA ASP 26 HA ASP 26 -12.578 -5.174 0.720 202 1HB ASP 26 HB2 ASP 26 -10.722 -3.894 1.837 203 2HB ASP 26 HB1 ASP 26 -10.783 -2.758 0.492 204 H PHE 27 HN PHE 27 -14.369 -4.391 -0.196 205 HA PHE 27 HA PHE 27 -14.181 -3.339 -2.935 206 1HB PHE 27 HB2 PHE 27 -16.226 -4.841 -1.387 207 2HB PHE 27 HB1 PHE 27 -16.830 -3.665 -2.555 208 HD1 PHE 27 HD1 PHE 27 -14.559 -6.574 -2.203 209 HD2 PHE 27 HD2 PHE 27 -16.897 -4.176 -4.829 210 HE1 PHE 27 HE1 PHE 27 -14.123 -8.161 -4.033 211 HE2 PHE 27 HE2 PHE 27 -16.472 -5.762 -6.663 212 HZ PHE 27 HZ PHE 27 -15.080 -7.756 -6.266 213 H SER 28 HN SER 28 -14.010 -1.146 -2.951 214 HA SER 28 HA SER 28 -15.644 0.380 -1.029 215 1HB SER 28 HB2 SER 28 -13.978 2.075 -0.986 216 2HB SER 28 HB1 SER 28 -13.114 0.543 -0.849 217 HG SER 28 HG SER 28 -12.023 1.563 -2.406 218 H ALA 29 HN ALA 29 -15.455 2.857 -2.031 219 HA ALA 29 HA ALA 29 -16.269 2.916 -4.811 220 1HB ALA 29 HB1 ALA 29 -18.261 2.521 -2.969 221 2HB ALA 29 HB2 ALA 29 -18.478 3.223 -4.573 222 3HB ALA 29 HB3 ALA 29 -18.274 4.273 -3.170 223 H THR 30 HN THR 30 -16.406 5.115 -5.655 224 HA THR 30 HA THR 30 -14.523 6.881 -4.406 225 HB THR 30 HB THR 30 -16.383 7.624 -6.659 226 HG1 THR 30 HG1 THR 30 -15.256 6.447 -8.022 227 1HG2 THR 30 HG21 THR 30 -15.118 9.488 -6.184 228 2HG2 THR 30 HG22 THR 30 -14.169 8.698 -7.443 229 3HG2 THR 30 HG23 THR 30 -13.694 8.541 -5.752 230 H TRP 31 HN TRP 31 -17.975 6.658 -4.751 231 HA TRP 31 HA TRP 31 -18.521 9.179 -3.413 232 1HB TRP 31 HB2 TRP 31 -20.859 8.629 -3.853 233 2HB TRP 31 HB1 TRP 31 -19.905 8.364 -5.312 234 HD1 TRP 31 HD1 TRP 31 -19.397 5.752 -5.974 235 HE1 TRP 31 HE1 TRP 31 -20.706 3.593 -5.410 236 HE3 TRP 31 HE3 TRP 31 -22.344 7.521 -2.185 237 HZ2 TRP 31 HZ2 TRP 31 -22.719 2.773 -3.649 238 HZ3 TRP 31 HZ3 TRP 31 -23.936 5.979 -1.116 239 HH2 TRP 31 HH2 TRP 31 -24.114 3.654 -1.836 240 H CYS 32 HN CYS 32 -17.388 6.466 -2.151 241 HA CYS 32 HA CYS 32 -19.367 6.091 -0.060 242 1HB CYS 32 HB2 CYS 32 -18.142 4.166 -1.164 243 2HB CYS 32 HB1 CYS 32 -16.704 4.701 -0.300 244 H GLY 33 HN GLY 33 -18.849 6.142 2.179 245 1HA GLY 33 HA2 GLY 33 -16.915 8.275 2.794 246 2HA GLY 33 HA1 GLY 33 -18.327 7.877 3.762 247 HA PRO 34 HA PRO 34 -16.042 5.342 6.533 248 1HB PRO 34 HB2 PRO 34 -17.364 2.900 6.395 249 2HB PRO 34 HB1 PRO 34 -17.834 4.260 7.417 250 1HG PRO 34 HG2 PRO 34 -18.902 3.428 4.756 251 2HG PRO 34 HG1 PRO 34 -19.766 4.075 6.163 252 1HD PRO 34 HD2 PRO 34 -19.234 5.609 4.036 253 2HD PRO 34 HD1 PRO 34 -19.158 6.265 5.684 254 H CYS 35 HN CYS 35 -16.544 4.198 3.289 255 HA CYS 35 HA CYS 35 -14.914 1.927 3.281 256 1HB CYS 35 HB2 CYS 35 -15.440 3.932 1.078 257 2HB CYS 35 HB1 CYS 35 -14.654 2.377 0.837 258 H LYS 36 HN LYS 36 -14.118 5.332 2.755 259 HA LYS 36 HA LYS 36 -11.373 4.909 2.180 260 1HB LYS 36 HB2 LYS 36 -13.021 7.293 2.949 261 2HB LYS 36 HB1 LYS 36 -11.269 7.416 2.868 262 1HG LYS 36 HG2 LYS 36 -11.231 7.333 0.619 263 2HG LYS 36 HG1 LYS 36 -12.572 6.191 0.531 264 1HD LYS 36 HD2 LYS 36 -13.404 8.180 -0.404 265 2HD LYS 36 HD1 LYS 36 -14.061 8.136 1.233 266 1HE LYS 36 HE2 LYS 36 -12.654 9.816 1.981 267 2HE LYS 36 HE1 LYS 36 -11.477 9.540 0.698 268 1HZ LYS 36 HZ1 LYS 36 -13.899 11.147 0.680 269 2HZ LYS 36 HZ2 LYS 36 -13.579 10.280 -0.737 270 3HZ LYS 36 HZ3 LYS 36 -12.439 11.378 -0.143 271 H MET 37 HN MET 37 -13.159 4.945 5.111 272 HA MET 37 HA MET 37 -11.054 5.757 6.851 273 1HB MET 37 HB2 MET 37 -13.569 4.186 7.434 274 2HB MET 37 HB1 MET 37 -12.492 4.854 8.653 275 1HG MET 37 HG2 MET 37 -12.935 7.112 7.523 276 2HG MET 37 HG1 MET 37 -14.292 6.297 6.749 277 1HE MET 37 HE1 MET 37 -14.859 8.686 10.153 278 2HE MET 37 HE2 MET 37 -15.531 8.705 8.522 279 3HE MET 37 HE3 MET 37 -13.783 8.764 8.757 280 H ILE 38 HN ILE 38 -11.872 2.756 5.315 281 HA ILE 38 HA ILE 38 -10.309 1.147 7.162 282 HB ILE 38 HB ILE 38 -11.363 0.255 4.488 283 1HG1 ILE 38 HG12 ILE 38 -13.176 1.309 5.883 284 2HG1 ILE 38 HG11 ILE 38 -13.435 -0.389 5.503 285 1HG2 ILE 38 HG21 ILE 38 -10.242 -1.040 6.899 286 2HG2 ILE 38 HG22 ILE 38 -10.081 -1.471 5.195 287 3HG2 ILE 38 HG23 ILE 38 -11.556 -1.878 6.072 288 1HD1 ILE 38 HD11 ILE 38 -12.939 -1.064 7.686 289 2HD1 ILE 38 HD12 ILE 38 -13.953 0.368 7.861 290 3HD1 ILE 38 HD13 ILE 38 -12.208 0.489 8.091 291 H LYS 39 HN LYS 39 -9.860 2.820 4.164 292 HA LYS 39 HA LYS 39 -7.840 1.432 2.933 293 1HB LYS 39 HB2 LYS 39 -8.999 3.967 2.684 294 2HB LYS 39 HB1 LYS 39 -7.274 4.264 2.847 295 1HG LYS 39 HG2 LYS 39 -6.897 2.605 1.017 296 2HG LYS 39 HG1 LYS 39 -8.646 2.553 0.791 297 1HD LYS 39 HD2 LYS 39 -8.580 5.039 0.453 298 2HD LYS 39 HD1 LYS 39 -6.819 4.924 0.449 299 1HE LYS 39 HE2 LYS 39 -6.870 3.479 -1.478 300 2HE LYS 39 HE1 LYS 39 -8.632 3.417 -1.429 301 1HZ LYS 39 HZ1 LYS 39 -8.735 5.736 -1.967 302 2HZ LYS 39 HZ2 LYS 39 -7.754 4.965 -3.111 303 3HZ LYS 39 HZ3 LYS 39 -7.051 5.890 -1.881 304 HA PRO 40 HA PRO 40 -4.589 4.032 5.597 305 1HB PRO 40 HB2 PRO 40 -6.245 4.151 8.070 306 2HB PRO 40 HB1 PRO 40 -5.088 5.323 7.431 307 1HG PRO 40 HG2 PRO 40 -7.708 5.747 7.225 308 2HG PRO 40 HG1 PRO 40 -6.605 6.193 5.910 309 1HD PRO 40 HD2 PRO 40 -8.484 3.885 6.111 310 2HD PRO 40 HD1 PRO 40 -8.016 4.842 4.691 311 H PHE 41 HN PHE 41 -6.818 1.940 7.463 312 HA PHE 41 HA PHE 41 -4.635 0.600 8.766 313 1HB PHE 41 HB2 PHE 41 -7.523 -0.267 8.705 314 2HB PHE 41 HB1 PHE 41 -6.308 -0.655 9.917 315 HD1 PHE 41 HD1 PHE 41 -5.191 1.548 10.983 316 HD2 PHE 41 HD2 PHE 41 -9.083 1.297 9.281 317 HE1 PHE 41 HE1 PHE 41 -5.891 3.499 12.308 318 HE2 PHE 41 HE2 PHE 41 -9.790 3.249 10.603 319 HZ PHE 41 HZ PHE 41 -8.192 4.353 12.117 320 H PHE 42 HN PHE 42 -6.579 -0.025 5.921 321 HA PHE 42 HA PHE 42 -6.101 -2.807 5.752 322 1HB PHE 42 HB2 PHE 42 -7.734 -1.218 4.409 323 2HB PHE 42 HB1 PHE 42 -6.384 -1.146 3.284 324 HD1 PHE 42 HD1 PHE 42 -8.483 -3.607 5.129 325 HD2 PHE 42 HD2 PHE 42 -6.204 -2.752 1.638 326 HE1 PHE 42 HE1 PHE 42 -9.216 -5.735 4.133 327 HE2 PHE 42 HE2 PHE 42 -6.932 -4.878 0.636 328 HZ PHE 42 HZ PHE 42 -8.441 -6.372 1.884 329 H HIS 43 HN HIS 43 -4.444 0.005 4.390 330 HA HIS 43 HA HIS 43 -2.486 -1.469 2.988 331 1HB HIS 43 HB2 HIS 43 -3.230 1.203 3.168 332 2HB HIS 43 HB1 HIS 43 -1.585 1.172 3.798 333 HD1 HIS 43 HD1 HIS 43 -3.427 1.267 0.667 334 HD2 HIS 43 HD2 HIS 43 0.273 -0.125 1.938 335 HE1 HIS 43 HE1 HIS 43 -2.033 0.951 -1.419 336 H SER 44 HN SER 44 -2.477 -0.006 6.242 337 HA SER 44 HA SER 44 0.225 -0.419 6.815 338 1HB SER 44 HB2 SER 44 -1.446 0.934 8.161 339 2HB SER 44 HB1 SER 44 -2.020 -0.592 8.833 340 HG SER 44 HG SER 44 0.093 0.859 9.568 341 H LEU 45 HN LEU 45 -2.577 -2.533 7.357 342 HA LEU 45 HA LEU 45 -1.249 -4.592 8.699 343 1HB LEU 45 HB2 LEU 45 -3.666 -4.596 6.897 344 2HB LEU 45 HB1 LEU 45 -3.106 -6.044 7.710 345 HG LEU 45 HG LEU 45 -3.673 -3.595 9.328 346 1HD1 LEU 45 HD11 LEU 45 -5.994 -4.212 9.544 347 2HD1 LEU 45 HD12 LEU 45 -5.771 -5.569 8.440 348 3HD1 LEU 45 HD13 LEU 45 -5.622 -3.914 7.847 349 1HD2 LEU 45 HD21 LEU 45 -4.180 -6.486 9.969 350 2HD2 LEU 45 HD22 LEU 45 -4.021 -5.124 11.079 351 3HD2 LEU 45 HD23 LEU 45 -2.606 -5.728 10.214 352 H SER 46 HN SER 46 -1.708 -3.978 5.260 353 HA SER 46 HA SER 46 -0.687 -6.336 4.199 354 1HB SER 46 HB2 SER 46 -0.086 -3.699 2.901 355 2HB SER 46 HB1 SER 46 -0.585 -5.218 2.160 356 HG SER 46 HG SER 46 -2.280 -3.689 2.186 357 H GLU 47 HN GLU 47 0.967 -3.668 5.719 358 HA GLU 47 HA GLU 47 3.555 -4.461 4.689 359 1HB GLU 47 HB2 GLU 47 2.885 -2.067 5.063 360 2HB GLU 47 HB1 GLU 47 2.932 -2.385 6.791 361 1HG GLU 47 HG2 GLU 47 5.202 -2.480 6.856 362 2HG GLU 47 HG1 GLU 47 5.338 -3.064 5.198 363 H LYS 48 HN LYS 48 1.589 -5.114 7.441 364 HA LYS 48 HA LYS 48 3.880 -6.070 8.995 365 1HB LYS 48 HB2 LYS 48 2.153 -4.759 10.165 366 2HB LYS 48 HB1 LYS 48 0.943 -5.950 9.715 367 1HG LYS 48 HG2 LYS 48 2.291 -7.647 10.990 368 2HG LYS 48 HG1 LYS 48 3.263 -6.303 11.592 369 1HD LYS 48 HD2 LYS 48 1.644 -5.593 12.994 370 2HD LYS 48 HD1 LYS 48 0.352 -5.957 11.848 371 1HE LYS 48 HE2 LYS 48 -0.111 -7.560 13.385 372 2HE LYS 48 HE1 LYS 48 1.081 -8.450 12.439 373 1HZ LYS 48 HZ1 LYS 48 2.749 -7.448 14.091 374 2HZ LYS 48 HZ2 LYS 48 1.787 -8.739 14.608 375 3HZ LYS 48 HZ3 LYS 48 1.402 -7.159 15.070 376 H TYR 49 HN TYR 49 1.425 -7.170 6.899 377 HA TYR 49 HA TYR 49 1.691 -9.962 7.759 378 1HB TYR 49 HB2 TYR 49 -0.278 -8.431 6.115 379 2HB TYR 49 HB1 TYR 49 -0.081 -10.151 5.793 380 HD1 TYR 49 HD1 TYR 49 -0.913 -11.797 7.316 381 HD2 TYR 49 HD2 TYR 49 -1.071 -7.668 8.328 382 HE1 TYR 49 HE1 TYR 49 -2.400 -12.323 9.204 383 HE2 TYR 49 HE2 TYR 49 -2.557 -8.180 10.216 384 HH TYR 49 HH TYR 49 -4.184 -11.023 10.558 385 H SER 50 HN SER 50 3.746 -10.480 6.970 386 HA SER 50 HA SER 50 4.337 -10.034 4.157 387 1HB SER 50 HB2 SER 50 6.063 -9.748 5.979 388 2HB SER 50 HB1 SER 50 6.029 -11.497 6.192 389 HG SER 50 HG SER 50 7.308 -11.641 4.544 390 H ASN 51 HN ASN 51 2.162 -11.609 4.276 391 HA ASN 51 HA ASN 51 3.116 -14.050 3.076 392 1HB ASN 51 HB2 ASN 51 2.622 -14.274 5.717 393 2HB ASN 51 HB1 ASN 51 1.002 -14.561 5.089 394 1HD2 ASN 51 HD21 ASN 51 1.102 -16.706 5.825 395 2HD2 ASN 51 HD22 ASN 51 2.012 -17.907 4.980 396 H VAL 52 HN VAL 52 0.355 -12.115 4.134 397 HA VAL 52 HA VAL 52 -1.334 -13.233 2.039 398 HB VAL 52 HB VAL 52 -3.153 -12.042 3.046 399 1HG1 VAL 52 HG11 VAL 52 -1.958 -14.074 4.225 400 2HG1 VAL 52 HG12 VAL 52 -3.323 -13.246 4.975 401 3HG1 VAL 52 HG13 VAL 52 -1.677 -12.869 5.482 402 1HG2 VAL 52 HG21 VAL 52 -2.195 -10.777 5.310 403 2HG2 VAL 52 HG22 VAL 52 -2.746 -9.996 3.829 404 3HG2 VAL 52 HG23 VAL 52 -1.032 -10.338 4.059 405 H ILE 53 HN ILE 53 -2.450 -11.917 0.523 406 HA ILE 53 HA ILE 53 -0.925 -9.525 -0.235 407 HB ILE 53 HB ILE 53 -1.251 -11.607 -1.796 408 1HG1 ILE 53 HG12 ILE 53 -1.297 -10.046 -3.786 409 2HG1 ILE 53 HG11 ILE 53 -1.560 -8.733 -2.642 410 1HG2 ILE 53 HG21 ILE 53 -3.746 -10.093 -2.516 411 2HG2 ILE 53 HG22 ILE 53 -3.745 -11.568 -1.550 412 3HG2 ILE 53 HG23 ILE 53 -3.151 -11.602 -3.209 413 1HD1 ILE 53 HD11 ILE 53 0.837 -9.313 -3.481 414 2HD1 ILE 53 HD12 ILE 53 0.748 -10.564 -2.240 415 3HD1 ILE 53 HD13 ILE 53 0.564 -8.865 -1.798 416 H PHE 54 HN PHE 54 -1.806 -7.684 0.316 417 HA PHE 54 HA PHE 54 -4.705 -7.452 0.675 418 1HB PHE 54 HB2 PHE 54 -2.296 -5.885 1.513 419 2HB PHE 54 HB1 PHE 54 -3.817 -5.042 1.359 420 HD1 PHE 54 HD1 PHE 54 -2.495 -8.167 2.989 421 HD2 PHE 54 HD2 PHE 54 -5.053 -4.764 3.225 422 HE1 PHE 54 HE1 PHE 54 -3.086 -8.759 5.305 423 HE2 PHE 54 HE2 PHE 54 -5.651 -5.367 5.531 424 HZ PHE 54 HZ PHE 54 -4.663 -7.363 6.574 425 H LEU 55 HN LEU 55 -5.846 -6.764 -1.128 426 HA LEU 55 HA LEU 55 -4.555 -4.682 -2.713 427 1HB LEU 55 HB2 LEU 55 -4.742 -5.681 -4.665 428 2HB LEU 55 HB1 LEU 55 -4.769 -7.153 -3.712 429 HG LEU 55 HG LEU 55 -7.444 -6.478 -3.900 430 1HD1 LEU 55 HD11 LEU 55 -6.056 -5.842 -6.499 431 2HD1 LEU 55 HD12 LEU 55 -6.975 -4.718 -5.501 432 3HD1 LEU 55 HD13 LEU 55 -7.793 -6.056 -6.302 433 1HD2 LEU 55 HD21 LEU 55 -5.802 -8.255 -5.705 434 2HD2 LEU 55 HD22 LEU 55 -7.549 -8.349 -5.477 435 3HD2 LEU 55 HD23 LEU 55 -6.463 -8.706 -4.133 436 H GLU 56 HN GLU 56 -6.121 -3.504 -4.147 437 HA GLU 56 HA GLU 56 -8.582 -3.047 -2.593 438 1HB GLU 56 HB2 GLU 56 -6.509 -1.388 -2.857 439 2HB GLU 56 HB1 GLU 56 -7.429 -0.922 -4.280 440 1HG GLU 56 HG2 GLU 56 -8.080 0.538 -2.540 441 2HG GLU 56 HG1 GLU 56 -9.410 -0.594 -2.773 442 H VAL 57 HN VAL 57 -10.417 -3.415 -3.625 443 HA VAL 57 HA VAL 57 -10.452 -3.109 -6.557 444 HB VAL 57 HB VAL 57 -12.454 -4.798 -5.103 445 1HG1 VAL 57 HG11 VAL 57 -12.398 -3.995 -7.613 446 2HG1 VAL 57 HG12 VAL 57 -12.962 -5.606 -7.170 447 3HG1 VAL 57 HG13 VAL 57 -11.323 -5.382 -7.783 448 1HG2 VAL 57 HG21 VAL 57 -9.665 -5.613 -5.892 449 2HG2 VAL 57 HG22 VAL 57 -10.977 -6.773 -5.681 450 3HG2 VAL 57 HG23 VAL 57 -10.447 -5.784 -4.320 451 H ASP 58 HN ASP 58 -11.563 -1.491 -7.262 452 HA ASP 58 HA ASP 58 -13.611 -0.298 -5.551 453 1HB ASP 58 HB2 ASP 58 -13.381 1.648 -7.041 454 2HB ASP 58 HB1 ASP 58 -11.842 1.188 -6.336 455 H VAL 59 HN VAL 59 -15.664 -0.780 -5.950 456 HA VAL 59 HA VAL 59 -16.487 -2.362 -8.089 457 HB VAL 59 HB VAL 59 -17.718 -2.215 -5.963 458 1HG1 VAL 59 HG11 VAL 59 -19.108 0.260 -6.821 459 2HG1 VAL 59 HG12 VAL 59 -17.506 0.428 -6.104 460 3HG1 VAL 59 HG13 VAL 59 -18.796 -0.364 -5.201 461 1HG2 VAL 59 HG21 VAL 59 -19.801 -1.390 -7.868 462 2HG2 VAL 59 HG22 VAL 59 -19.639 -2.876 -6.932 463 3HG2 VAL 59 HG23 VAL 59 -18.730 -2.674 -8.430 464 H ASP 60 HN ASP 60 -15.945 1.018 -7.996 465 HA ASP 60 HA ASP 60 -17.796 1.843 -9.966 466 1HB ASP 60 HB2 ASP 60 -16.293 3.272 -8.382 467 2HB ASP 60 HB1 ASP 60 -15.087 3.107 -9.655 468 H ASP 61 HN ASP 61 -14.537 0.557 -10.084 469 HA ASP 61 HA ASP 61 -14.584 0.563 -13.018 470 1HB ASP 61 HB2 ASP 61 -12.378 0.234 -10.991 471 2HB ASP 61 HB1 ASP 61 -12.148 -0.180 -12.687 472 H ALA 62 HN ALA 62 -14.448 -1.517 -10.216 473 HA ALA 62 HA ALA 62 -14.294 -3.912 -11.876 474 1HB ALA 62 HB1 ALA 62 -13.226 -3.273 -9.406 475 2HB ALA 62 HB2 ALA 62 -13.289 -4.880 -10.131 476 3HB ALA 62 HB3 ALA 62 -14.558 -4.363 -9.020 477 H GLN 63 HN GLN 63 -16.615 -2.487 -12.235 478 HA GLN 63 HA GLN 63 -18.729 -3.351 -10.554 479 1HB GLN 63 HB2 GLN 63 -18.669 -1.327 -12.127 480 2HB GLN 63 HB1 GLN 63 -19.060 -2.466 -13.408 481 1HG GLN 63 HG2 GLN 63 -21.075 -1.433 -12.651 482 2HG GLN 63 HG1 GLN 63 -21.083 -3.124 -12.152 483 1HE2 GLN 63 HE21 GLN 63 -20.489 0.161 -11.044 484 2HE2 GLN 63 HE22 GLN 63 -20.856 -0.135 -9.382 485 H ASP 64 HN ASP 64 -16.926 -5.036 -12.845 486 HA ASP 64 HA ASP 64 -19.142 -6.785 -13.596 487 1HB ASP 64 HB2 ASP 64 -16.379 -6.339 -14.615 488 2HB ASP 64 HB1 ASP 64 -17.092 -7.934 -14.841 489 H VAL 65 HN VAL 65 -16.453 -6.673 -11.413 490 HA VAL 65 HA VAL 65 -16.343 -9.521 -11.034 491 HB VAL 65 HB VAL 65 -15.004 -8.855 -8.922 492 1HG1 VAL 65 HG11 VAL 65 -13.693 -9.743 -10.559 493 2HG1 VAL 65 HG12 VAL 65 -13.071 -8.093 -10.561 494 3HG1 VAL 65 HG13 VAL 65 -14.243 -8.594 -11.779 495 1HG2 VAL 65 HG21 VAL 65 -14.033 -6.660 -8.912 496 2HG2 VAL 65 HG22 VAL 65 -15.788 -6.502 -8.886 497 3HG2 VAL 65 HG23 VAL 65 -14.898 -6.222 -10.383 498 H ALA 66 HN ALA 66 -17.652 -6.766 -9.136 499 HA ALA 66 HA ALA 66 -18.572 -8.088 -6.933 500 1HB ALA 66 HB1 ALA 66 -19.080 -5.937 -6.610 501 2HB ALA 66 HB2 ALA 66 -20.591 -6.288 -7.447 502 3HB ALA 66 HB3 ALA 66 -19.222 -5.625 -8.338 503 HA PRO 67 HA PRO 67 -22.881 -8.897 -9.220 504 1HB PRO 67 HB2 PRO 67 -21.723 -9.077 -11.968 505 2HB PRO 67 HB1 PRO 67 -23.316 -8.503 -11.453 506 1HG PRO 67 HG2 PRO 67 -21.440 -6.761 -12.147 507 2HG PRO 67 HG1 PRO 67 -22.491 -6.439 -10.759 508 1HD PRO 67 HD2 PRO 67 -19.648 -7.345 -10.824 509 2HD PRO 67 HD1 PRO 67 -20.455 -6.226 -9.709 510 H LYS 68 HN LYS 68 -19.765 -10.131 -10.208 511 HA LYS 68 HA LYS 68 -20.697 -12.790 -10.773 512 1HB LYS 68 HB2 LYS 68 -18.143 -11.349 -10.848 513 2HB LYS 68 HB1 LYS 68 -17.991 -13.026 -10.342 514 1HG LYS 68 HG2 LYS 68 -18.566 -13.840 -12.374 515 2HG LYS 68 HG1 LYS 68 -19.661 -12.502 -12.724 516 1HD LYS 68 HD2 LYS 68 -17.978 -11.155 -13.527 517 2HD LYS 68 HD1 LYS 68 -16.732 -11.965 -12.574 518 1HE LYS 68 HE2 LYS 68 -18.132 -13.512 -14.696 519 2HE LYS 68 HE1 LYS 68 -16.925 -12.323 -15.183 520 1HZ LYS 68 HZ1 LYS 68 -16.480 -14.588 -13.315 521 2HZ LYS 68 HZ2 LYS 68 -15.320 -13.436 -13.746 522 3HZ LYS 68 HZ3 LYS 68 -15.931 -14.496 -14.913 523 H TYR 69 HN TYR 69 -19.828 -11.029 -7.940 524 HA TYR 69 HA TYR 69 -19.586 -13.517 -6.364 525 1HB TYR 69 HB2 TYR 69 -18.596 -10.707 -5.880 526 2HB TYR 69 HB1 TYR 69 -18.614 -11.944 -4.634 527 HD1 TYR 69 HD1 TYR 69 -17.543 -14.288 -5.574 528 HD2 TYR 69 HD2 TYR 69 -16.572 -10.362 -6.897 529 HE1 TYR 69 HE1 TYR 69 -15.374 -15.106 -6.392 530 HE2 TYR 69 HE2 TYR 69 -14.399 -11.166 -7.718 531 HH TYR 69 HH TYR 69 -12.842 -13.063 -7.258 532 H GLY 70 HN GLY 70 -21.755 -11.145 -7.150 533 1HA GLY 70 HA2 GLY 70 -23.822 -10.581 -6.316 534 2HA GLY 70 HA1 GLY 70 -23.654 -11.947 -5.228 535 H ILE 71 HN ILE 71 -21.508 -9.124 -5.326 536 HA ILE 71 HA ILE 71 -21.861 -8.718 -2.504 537 HB ILE 71 HB ILE 71 -20.379 -7.048 -4.546 538 1HG1 ILE 71 HG12 ILE 71 -19.282 -8.940 -2.457 539 2HG1 ILE 71 HG11 ILE 71 -19.545 -9.393 -4.136 540 1HG2 ILE 71 HG21 ILE 71 -20.823 -5.577 -2.778 541 2HG2 ILE 71 HG22 ILE 71 -19.206 -6.192 -2.439 542 3HG2 ILE 71 HG23 ILE 71 -20.594 -6.832 -1.558 543 1HD1 ILE 71 HD11 ILE 71 -17.472 -8.718 -4.514 544 2HD1 ILE 71 HD12 ILE 71 -17.361 -7.944 -2.934 545 3HD1 ILE 71 HD13 ILE 71 -18.060 -7.068 -4.296 546 H ARG 72 HN ARG 72 -23.079 -7.215 -1.470 547 HA ARG 72 HA ARG 72 -24.347 -5.072 -2.992 548 1HB ARG 72 HB2 ARG 72 -25.820 -7.166 -2.995 549 2HB ARG 72 HB1 ARG 72 -26.042 -6.876 -1.276 550 1HG ARG 72 HG2 ARG 72 -27.044 -4.725 -1.729 551 2HG ARG 72 HG1 ARG 72 -26.731 -4.916 -3.456 552 1HD ARG 72 HD2 ARG 72 -28.259 -6.744 -3.606 553 2HD ARG 72 HD1 ARG 72 -28.422 -6.823 -1.852 554 HE ARG 72 HE ARG 72 -29.917 -5.077 -1.935 555 1HH1 ARG 72 HH11 ARG 72 -28.349 -5.404 -5.036 556 2HH1 ARG 72 HH12 ARG 72 -29.437 -4.323 -5.840 557 1HH2 ARG 72 HH21 ARG 72 -31.349 -3.657 -2.991 558 2HH2 ARG 72 HH22 ARG 72 -31.140 -3.331 -4.680 559 H GLY 73 HN GLY 73 -22.526 -4.277 -1.442 560 1HA GLY 73 HA2 GLY 73 -23.711 -2.699 0.537 561 2HA GLY 73 HA1 GLY 73 -23.028 -4.105 1.332 562 H ILE 74 HN ILE 74 -22.182 -1.491 1.850 563 HA ILE 74 HA ILE 74 -19.373 -1.729 1.104 564 HB ILE 74 HB ILE 74 -19.223 0.702 0.592 565 1HG1 ILE 74 HG12 ILE 74 -22.242 0.551 0.427 566 2HG1 ILE 74 HG11 ILE 74 -21.353 1.336 1.728 567 1HG2 ILE 74 HG21 ILE 74 -21.101 -0.746 -1.265 568 2HG2 ILE 74 HG22 ILE 74 -19.372 -1.075 -1.156 569 3HG2 ILE 74 HG23 ILE 74 -19.938 0.511 -1.680 570 1HD1 ILE 74 HD11 ILE 74 -21.966 2.274 -0.962 571 2HD1 ILE 74 HD12 ILE 74 -20.288 2.526 -0.480 572 3HD1 ILE 74 HD13 ILE 74 -21.598 3.181 0.504 573 HA PRO 75 HA PRO 75 -17.567 -1.041 1.578 574 1HB PRO 75 HB2 PRO 75 -15.615 -1.283 3.591 575 2HB PRO 75 HB1 PRO 75 -15.895 0.130 2.577 576 1HG PRO 75 HG2 PRO 75 -16.297 -0.036 5.352 577 2HG PRO 75 HG1 PRO 75 -16.856 1.259 4.284 578 1HD PRO 75 HD2 PRO 75 -18.349 -1.077 5.374 579 2HD PRO 75 HD1 PRO 75 -18.923 0.567 5.013 580 H THR 76 HN THR 76 -17.524 -3.134 0.880 581 HA THR 76 HA THR 76 -17.833 -5.283 2.789 582 HB THR 76 HB THR 76 -17.325 -6.055 0.017 583 HG1 THR 76 HG1 THR 76 -19.479 -4.311 0.603 584 1HG2 THR 76 HG21 THR 76 -19.776 -6.904 0.425 585 2HG2 THR 76 HG22 THR 76 -19.346 -6.616 2.113 586 3HG2 THR 76 HG23 THR 76 -18.383 -7.723 1.133 587 H LEU 77 HN LEU 77 -16.357 -6.748 3.367 588 HA LEU 77 HA LEU 77 -13.635 -6.425 2.297 589 1HB LEU 77 HB2 LEU 77 -14.584 -6.499 4.971 590 2HB LEU 77 HB1 LEU 77 -13.719 -8.000 4.706 591 HG LEU 77 HG LEU 77 -11.741 -6.692 3.969 592 1HD1 LEU 77 HD11 LEU 77 -11.632 -4.333 4.255 593 2HD1 LEU 77 HD12 LEU 77 -13.234 -4.286 4.991 594 3HD1 LEU 77 HD13 LEU 77 -13.060 -4.677 3.279 595 1HD2 LEU 77 HD21 LEU 77 -11.605 -7.404 6.178 596 2HD2 LEU 77 HD22 LEU 77 -12.903 -6.335 6.705 597 3HD2 LEU 77 HD23 LEU 77 -11.324 -5.668 6.296 598 H LEU 78 HN LEU 78 -12.935 -8.015 1.049 599 HA LEU 78 HA LEU 78 -14.341 -10.599 1.197 600 1HB LEU 78 HB2 LEU 78 -13.274 -9.002 -1.091 601 2HB LEU 78 HB1 LEU 78 -13.326 -10.745 -1.238 602 HG LEU 78 HG LEU 78 -15.606 -8.800 -1.058 603 1HD1 LEU 78 HD11 LEU 78 -14.377 -10.001 -3.156 604 2HD1 LEU 78 HD12 LEU 78 -16.045 -9.431 -3.159 605 3HD1 LEU 78 HD13 LEU 78 -15.693 -11.128 -2.833 606 1HD2 LEU 78 HD21 LEU 78 -17.088 -10.850 -0.910 607 2HD2 LEU 78 HD22 LEU 78 -16.282 -10.356 0.579 608 3HD2 LEU 78 HD23 LEU 78 -15.661 -11.722 -0.350 609 H LEU 79 HN LEU 79 -13.225 -12.439 1.406 610 HA LEU 79 HA LEU 79 -10.287 -12.254 1.472 611 1HB LEU 79 HB2 LEU 79 -12.255 -13.499 3.296 612 2HB LEU 79 HB1 LEU 79 -10.819 -14.449 2.968 613 HG LEU 79 HG LEU 79 -10.688 -13.053 5.030 614 1HD1 LEU 79 HD11 LEU 79 -8.613 -13.722 4.282 615 2HD1 LEU 79 HD12 LEU 79 -8.445 -11.967 4.310 616 3HD1 LEU 79 HD13 LEU 79 -8.739 -12.800 2.784 617 1HD2 LEU 79 HD21 LEU 79 -10.709 -10.758 5.005 618 2HD2 LEU 79 HD22 LEU 79 -11.906 -11.115 3.761 619 3HD2 LEU 79 HD23 LEU 79 -10.264 -10.663 3.301 620 H PHE 80 HN PHE 80 -9.276 -13.434 -0.021 621 HA PHE 80 HA PHE 80 -10.750 -15.669 -1.248 622 1HB PHE 80 HB2 PHE 80 -8.859 -13.640 -2.391 623 2HB PHE 80 HB1 PHE 80 -9.103 -15.180 -3.198 624 HD1 PHE 80 HD1 PHE 80 -10.685 -12.048 -2.151 625 HD2 PHE 80 HD2 PHE 80 -11.133 -15.645 -4.380 626 HE1 PHE 80 HE1 PHE 80 -12.696 -11.125 -3.217 627 HE2 PHE 80 HE2 PHE 80 -13.152 -14.731 -5.455 628 HZ PHE 80 HZ PHE 80 -13.937 -12.468 -4.872 629 H LYS 81 HN LYS 81 -9.676 -17.567 -1.723 630 HA LYS 81 HA LYS 81 -6.908 -17.899 -0.870 631 1HB LYS 81 HB2 LYS 81 -8.831 -18.452 0.945 632 2HB LYS 81 HB1 LYS 81 -8.764 -19.994 0.105 633 1HG LYS 81 HG2 LYS 81 -6.778 -20.535 0.988 634 2HG LYS 81 HG1 LYS 81 -6.150 -18.891 0.840 635 1HD LYS 81 HD2 LYS 81 -7.568 -18.254 2.796 636 2HD LYS 81 HD1 LYS 81 -7.992 -19.957 2.981 637 1HE LYS 81 HE2 LYS 81 -5.193 -18.832 3.093 638 2HE LYS 81 HE1 LYS 81 -6.171 -19.271 4.493 639 1HZ LYS 81 HZ1 LYS 81 -5.441 -21.192 2.353 640 2HZ LYS 81 HZ2 LYS 81 -6.124 -21.539 3.861 641 3HZ LYS 81 HZ3 LYS 81 -4.530 -20.984 3.763 642 H ASN 82 HN ASN 82 -6.004 -18.760 -2.645 643 HA ASN 82 HA ASN 82 -5.633 -20.104 -4.446 644 1HB ASN 82 HB2 ASN 82 -7.707 -21.996 -3.352 645 2HB ASN 82 HB1 ASN 82 -6.284 -22.373 -4.315 646 1HD2 ASN 82 HD21 ASN 82 -4.213 -21.359 -3.131 647 2HD2 ASN 82 HD22 ASN 82 -4.055 -21.886 -1.493 648 H GLY 83 HN GLY 83 -7.318 -18.036 -4.921 649 1HA GLY 83 HA2 GLY 83 -8.691 -17.305 -6.608 650 2HA GLY 83 HA1 GLY 83 -8.729 -18.949 -7.209 651 H GLU 84 HN GLU 84 -9.746 -19.117 -4.053 652 HA GLU 84 HA GLU 84 -12.553 -18.724 -4.856 653 1HB GLU 84 HB2 GLU 84 -11.531 -21.151 -4.485 654 2HB GLU 84 HB1 GLU 84 -11.879 -20.772 -2.803 655 1HG GLU 84 HG2 GLU 84 -14.209 -20.422 -3.320 656 2HG GLU 84 HG1 GLU 84 -13.893 -20.670 -5.037 657 H VAL 85 HN VAL 85 -13.905 -17.746 -3.460 658 HA VAL 85 HA VAL 85 -12.808 -16.125 -1.401 659 HB VAL 85 HB VAL 85 -15.728 -16.766 -1.856 660 1HG1 VAL 85 HG11 VAL 85 -14.265 -14.936 -0.079 661 2HG1 VAL 85 HG12 VAL 85 -15.887 -15.616 0.073 662 3HG1 VAL 85 HG13 VAL 85 -15.613 -14.209 -0.957 663 1HG2 VAL 85 HG21 VAL 85 -14.239 -15.794 -3.793 664 2HG2 VAL 85 HG22 VAL 85 -14.422 -14.294 -2.885 665 3HG2 VAL 85 HG23 VAL 85 -15.848 -15.146 -3.477 666 H ALA 86 HN ALA 86 -12.256 -16.804 0.613 667 HA ALA 86 HA ALA 86 -13.694 -19.109 1.717 668 1HB ALA 86 HB1 ALA 86 -11.571 -19.164 3.253 669 2HB ALA 86 HB2 ALA 86 -10.856 -18.255 1.922 670 3HB ALA 86 HB3 ALA 86 -11.534 -19.858 1.633 671 H ALA 87 HN ALA 87 -13.947 -15.986 1.904 672 HA ALA 87 HA ALA 87 -15.200 -15.974 4.434 673 1HB ALA 87 HB1 ALA 87 -13.316 -13.998 5.003 674 2HB ALA 87 HB2 ALA 87 -12.386 -15.385 4.438 675 3HB ALA 87 HB3 ALA 87 -13.500 -15.562 5.795 676 H THR 88 HN THR 88 -16.524 -14.214 4.708 677 HA THR 88 HA THR 88 -16.194 -11.948 2.879 678 HB THR 88 HB THR 88 -17.786 -13.208 1.681 679 HG1 THR 88 HG1 THR 88 -19.659 -11.965 1.884 680 1HG2 THR 88 HG21 THR 88 -19.983 -13.676 3.284 681 2HG2 THR 88 HG22 THR 88 -18.613 -14.165 4.281 682 3HG2 THR 88 HG23 THR 88 -18.841 -14.880 2.684 683 H LYS 89 HN LYS 89 -16.434 -10.034 3.878 684 HA LYS 89 HA LYS 89 -18.032 -9.935 6.339 685 1HB LYS 89 HB2 LYS 89 -15.296 -9.813 6.353 686 2HB LYS 89 HB1 LYS 89 -15.723 -8.111 6.253 687 1HG LYS 89 HG2 LYS 89 -17.029 -9.869 8.285 688 2HG LYS 89 HG1 LYS 89 -15.413 -9.216 8.570 689 1HD LYS 89 HD2 LYS 89 -16.240 -6.958 8.321 690 2HD LYS 89 HD1 LYS 89 -17.841 -7.559 7.887 691 1HE LYS 89 HE2 LYS 89 -18.258 -7.209 10.078 692 2HE LYS 89 HE1 LYS 89 -17.512 -8.797 10.248 693 1HZ LYS 89 HZ1 LYS 89 -16.235 -7.695 11.717 694 2HZ LYS 89 HZ2 LYS 89 -16.501 -6.184 11.009 695 3HZ LYS 89 HZ3 LYS 89 -15.363 -7.241 10.339 696 H VAL 90 HN VAL 90 -19.321 -8.159 6.540 697 HA VAL 90 HA VAL 90 -19.186 -6.176 4.365 698 HB VAL 90 HB VAL 90 -21.686 -7.045 5.812 699 1HG1 VAL 90 HG11 VAL 90 -21.299 -5.447 3.284 700 2HG1 VAL 90 HG12 VAL 90 -21.744 -4.787 4.856 701 3HG1 VAL 90 HG13 VAL 90 -22.842 -5.881 4.017 702 1HG2 VAL 90 HG21 VAL 90 -22.231 -8.233 3.689 703 2HG2 VAL 90 HG22 VAL 90 -20.884 -8.939 4.582 704 3HG2 VAL 90 HG23 VAL 90 -20.576 -7.944 3.159 705 H GLY 91 HN GLY 91 -19.585 -3.982 4.858 706 1HA GLY 91 HA2 GLY 91 -19.902 -2.139 6.192 707 2HA GLY 91 HA1 GLY 91 -20.280 -3.206 7.530 708 H ALA 92 HN ALA 92 -18.823 -0.950 7.921 709 HA ALA 92 HA ALA 92 -16.024 -1.302 7.778 710 1HB ALA 92 HB1 ALA 92 -17.066 0.894 7.997 711 2HB ALA 92 HB2 ALA 92 -15.901 0.610 9.290 712 3HB ALA 92 HB3 ALA 92 -17.628 0.471 9.614 713 H LEU 93 HN LEU 93 -14.663 -1.175 9.840 714 HA LEU 93 HA LEU 93 -15.626 -2.576 12.143 715 1HB LEU 93 HB2 LEU 93 -13.889 -4.435 11.841 716 2HB LEU 93 HB1 LEU 93 -15.382 -4.549 10.931 717 HG LEU 93 HG LEU 93 -12.934 -3.343 9.688 718 1HD1 LEU 93 HD11 LEU 93 -12.801 -5.791 8.696 719 2HD1 LEU 93 HD12 LEU 93 -13.483 -6.203 10.270 720 3HD1 LEU 93 HD13 LEU 93 -11.948 -5.339 10.172 721 1HD2 LEU 93 HD21 LEU 93 -14.151 -4.555 7.702 722 2HD2 LEU 93 HD22 LEU 93 -14.700 -2.980 8.272 723 3HD2 LEU 93 HD23 LEU 93 -15.547 -4.443 8.773 724 H SER 94 HN SER 94 -13.298 -3.415 13.287 725 HA SER 94 HA SER 94 -11.719 -0.932 13.393 726 1HB SER 94 HB2 SER 94 -11.593 -2.945 15.596 727 2HB SER 94 HB1 SER 94 -11.462 -1.188 15.671 728 HG SER 94 HG SER 94 -13.439 -1.892 16.533 729 H LYS 95 HN LYS 95 -9.402 -1.261 14.082 730 HA LYS 95 HA LYS 95 -8.055 -2.837 12.215 731 1HB LYS 95 HB2 LYS 95 -7.036 -0.887 13.303 732 2HB LYS 95 HB1 LYS 95 -7.015 -1.747 14.837 733 1HG LYS 95 HG2 LYS 95 -5.113 -2.783 14.336 734 2HG LYS 95 HG1 LYS 95 -5.701 -3.253 12.741 735 1HD LYS 95 HD2 LYS 95 -5.275 -0.730 12.176 736 2HD LYS 95 HD1 LYS 95 -4.198 -0.810 13.571 737 1HE LYS 95 HE2 LYS 95 -3.989 -2.952 11.523 738 2HE LYS 95 HE1 LYS 95 -3.360 -1.357 11.115 739 1HZ LYS 95 HZ1 LYS 95 -2.404 -3.282 13.090 740 2HZ LYS 95 HZ2 LYS 95 -2.264 -1.642 13.482 741 3HZ LYS 95 HZ3 LYS 95 -1.530 -2.242 12.082 742 H GLY 96 HN GLY 96 -9.082 -3.554 15.493 743 1HA GLY 96 HA2 GLY 96 -7.540 -5.957 15.683 744 2HA GLY 96 HA1 GLY 96 -8.796 -5.438 16.789 745 H GLN 97 HN GLN 97 -10.783 -5.177 14.610 746 HA GLN 97 HA GLN 97 -11.656 -7.914 14.630 747 1HB GLN 97 HB2 GLN 97 -12.923 -5.647 13.101 748 2HB GLN 97 HB1 GLN 97 -13.672 -7.143 13.645 749 1HG GLN 97 HG2 GLN 97 -13.637 -6.454 15.903 750 2HG GLN 97 HG1 GLN 97 -12.572 -5.094 15.544 751 1HE2 GLN 97 HE21 GLN 97 -14.726 -4.492 16.933 752 2HE2 GLN 97 HE22 GLN 97 -15.919 -3.700 15.966 753 H LEU 98 HN LEU 98 -10.161 -5.746 12.343 754 HA LEU 98 HA LEU 98 -10.639 -7.376 10.041 755 1HB LEU 98 HB2 LEU 98 -9.660 -4.822 10.466 756 2HB LEU 98 HB1 LEU 98 -8.242 -5.701 9.929 757 HG LEU 98 HG LEU 98 -10.840 -5.705 8.401 758 1HD1 LEU 98 HD11 LEU 98 -9.461 -4.131 6.874 759 2HD1 LEU 98 HD12 LEU 98 -8.558 -3.778 8.347 760 3HD1 LEU 98 HD13 LEU 98 -10.292 -3.465 8.279 761 1HD2 LEU 98 HD21 LEU 98 -9.295 -6.340 6.535 762 2HD2 LEU 98 HD22 LEU 98 -9.452 -7.547 7.812 763 3HD2 LEU 98 HD23 LEU 98 -8.019 -6.522 7.740 764 H LYS 99 HN LYS 99 -7.831 -6.806 12.127 765 HA LYS 99 HA LYS 99 -6.135 -8.718 10.959 766 1HB LYS 99 HB2 LYS 99 -5.777 -6.780 12.784 767 2HB LYS 99 HB1 LYS 99 -5.852 -8.168 13.861 768 1HG LYS 99 HG2 LYS 99 -4.046 -9.235 12.571 769 2HG LYS 99 HG1 LYS 99 -3.947 -7.790 11.561 770 1HD LYS 99 HD2 LYS 99 -2.243 -7.560 13.178 771 2HD LYS 99 HD1 LYS 99 -3.546 -6.492 13.701 772 1HE LYS 99 HE2 LYS 99 -3.078 -7.530 15.681 773 2HE LYS 99 HE1 LYS 99 -4.297 -8.635 15.044 774 1HZ LYS 99 HZ1 LYS 99 -2.620 -10.053 15.678 775 2HZ LYS 99 HZ2 LYS 99 -1.382 -8.995 15.222 776 3HZ LYS 99 HZ3 LYS 99 -2.256 -9.833 14.041 777 H GLU 100 HN GLU 100 -8.342 -8.933 13.738 778 HA GLU 100 HA GLU 100 -7.662 -11.558 14.491 779 1HB GLU 100 HB2 GLU 100 -9.618 -11.571 15.833 780 2HB GLU 100 HB1 GLU 100 -9.039 -9.914 15.842 781 1HG GLU 100 HG2 GLU 100 -11.296 -9.643 15.573 782 2HG GLU 100 HG1 GLU 100 -10.719 -9.578 13.911 783 H PHE 101 HN PHE 101 -10.048 -10.303 12.202 784 HA PHE 101 HA PHE 101 -11.254 -12.760 11.534 785 1HB PHE 101 HB2 PHE 101 -12.201 -10.531 10.983 786 2HB PHE 101 HB1 PHE 101 -10.901 -10.279 9.826 787 HD1 PHE 101 HD1 PHE 101 -13.086 -13.225 10.509 788 HD2 PHE 101 HD2 PHE 101 -11.801 -10.280 7.719 789 HE1 PHE 101 HE1 PHE 101 -14.438 -14.300 8.757 790 HE2 PHE 101 HE2 PHE 101 -13.151 -11.350 5.961 791 HZ PHE 101 HZ PHE 101 -14.473 -13.363 6.481 792 H LEU 102 HN LEU 102 -8.467 -11.011 10.287 793 HA LEU 102 HA LEU 102 -7.906 -12.678 8.080 794 1HB LEU 102 HB2 LEU 102 -6.631 -10.488 9.508 795 2HB LEU 102 HB1 LEU 102 -5.460 -11.677 8.977 796 HG LEU 102 HG LEU 102 -7.398 -10.157 7.234 797 1HD1 LEU 102 HD11 LEU 102 -5.167 -9.433 6.208 798 2HD1 LEU 102 HD12 LEU 102 -4.439 -10.019 7.705 799 3HD1 LEU 102 HD13 LEU 102 -5.632 -8.721 7.755 800 1HD2 LEU 102 HD21 LEU 102 -5.673 -12.530 6.708 801 2HD2 LEU 102 HD22 LEU 102 -5.883 -11.323 5.441 802 3HD2 LEU 102 HD23 LEU 102 -7.289 -12.154 6.107 803 H ASP 103 HN ASP 103 -6.221 -12.481 11.217 804 HA ASP 103 HA ASP 103 -4.624 -14.702 11.010 805 1HB ASP 103 HB2 ASP 103 -5.070 -12.919 12.969 806 2HB ASP 103 HB1 ASP 103 -5.934 -14.295 13.648 807 H ALA 104 HN ALA 104 -8.053 -14.556 11.671 808 HA ALA 104 HA ALA 104 -8.355 -17.256 12.522 809 1HB ALA 104 HB1 ALA 104 -10.118 -16.003 13.242 810 2HB ALA 104 HB2 ALA 104 -10.825 -16.696 11.783 811 3HB ALA 104 HB3 ALA 104 -10.193 -15.051 11.760 812 H ASN 105 HN ASN 105 -8.162 -15.733 9.403 813 HA ASN 105 HA ASN 105 -9.054 -18.230 8.117 814 1HB ASN 105 HB2 ASN 105 -9.915 -15.719 7.598 815 2HB ASN 105 HB1 ASN 105 -8.584 -15.826 6.452 816 1HD2 ASN 105 HD21 ASN 105 -10.073 -15.730 4.736 817 2HD2 ASN 105 HD22 ASN 105 -11.017 -17.108 4.291 818 H LEU 106 HN LEU 106 -6.378 -16.037 8.473 819 HA LEU 106 HA LEU 106 -4.788 -17.028 6.335 820 1HB LEU 106 HB2 LEU 106 -4.605 -14.820 7.663 821 2HB LEU 106 HB1 LEU 106 -3.704 -15.763 8.830 822 HG LEU 106 HG LEU 106 -2.948 -15.317 5.943 823 1HD1 LEU 106 HD11 LEU 106 -2.584 -13.338 7.228 824 2HD1 LEU 106 HD12 LEU 106 -1.023 -14.121 6.980 825 3HD1 LEU 106 HD13 LEU 106 -1.843 -14.259 8.536 826 1HD2 LEU 106 HD21 LEU 106 -2.014 -17.373 6.309 827 2HD2 LEU 106 HD22 LEU 106 -1.890 -17.130 8.052 828 3HD2 LEU 106 HD23 LEU 106 -0.744 -16.341 6.969 829 H VAL 107 HN VAL 107 -4.073 -19.054 6.232 830 HA VAL 107 HA VAL 107 -2.543 -20.163 8.408 831 HB VAL 107 HB VAL 107 -3.886 -22.327 8.371 832 1HG1 VAL 107 HG11 VAL 107 -3.838 -20.632 10.226 833 2HG1 VAL 107 HG12 VAL 107 -5.296 -21.623 10.153 834 3HG1 VAL 107 HG13 VAL 107 -5.327 -19.964 9.557 835 1HG2 VAL 107 HG21 VAL 107 -5.216 -21.537 6.334 836 2HG2 VAL 107 HG22 VAL 107 -6.156 -20.577 7.474 837 3HG2 VAL 107 HG23 VAL 107 -6.110 -22.333 7.629 Start of MODEL 5 1 1H MET 1 HT1 MET 1 2.252 -6.901 -1.298 2 2H MET 1 HT2 MET 1 3.898 -6.793 -1.789 3 3H MET 1 HT3 MET 1 2.731 -7.511 -2.828 4 HA MET 1 HA MET 1 2.866 -4.694 -1.985 5 1HB MET 1 HB2 MET 1 3.293 -6.028 -4.669 6 2HB MET 1 HB1 MET 1 3.392 -4.303 -4.347 7 1HG MET 1 HG2 MET 1 5.585 -4.707 -4.200 8 2HG MET 1 HG1 MET 1 5.192 -5.221 -2.564 9 1HE MET 1 HE1 MET 1 7.711 -5.943 -4.497 10 2HE MET 1 HE2 MET 1 6.721 -6.199 -5.937 11 3HE MET 1 HE3 MET 1 7.641 -7.537 -5.247 12 H VAL 2 HN VAL 2 1.032 -3.579 -2.155 13 HA VAL 2 HA VAL 2 -1.402 -4.906 -2.883 14 HB VAL 2 HB VAL 2 -0.960 -1.989 -2.195 15 1HG1 VAL 2 HG11 VAL 2 -3.529 -3.219 -1.525 16 2HG1 VAL 2 HG12 VAL 2 -3.225 -3.109 -3.255 17 3HG1 VAL 2 HG13 VAL 2 -3.177 -1.655 -2.255 18 1HG2 VAL 2 HG21 VAL 2 -1.000 -4.418 -0.568 19 2HG2 VAL 2 HG22 VAL 2 -2.096 -3.160 -0.001 20 3HG2 VAL 2 HG23 VAL 2 -0.378 -2.812 -0.195 21 H LYS 3 HN LYS 3 -2.791 -4.455 -4.596 22 HA LYS 3 HA LYS 3 -1.869 -2.583 -6.641 23 1HB LYS 3 HB2 LYS 3 -2.464 -4.397 -8.377 24 2HB LYS 3 HB1 LYS 3 -0.903 -4.504 -7.574 25 1HG LYS 3 HG2 LYS 3 -3.199 -5.974 -6.380 26 2HG LYS 3 HG1 LYS 3 -2.481 -6.603 -7.863 27 1HD LYS 3 HD2 LYS 3 -0.251 -6.116 -6.425 28 2HD LYS 3 HD1 LYS 3 -1.387 -6.480 -5.126 29 1HE LYS 3 HE2 LYS 3 -0.691 -8.594 -5.561 30 2HE LYS 3 HE1 LYS 3 -1.985 -8.499 -6.755 31 1HZ LYS 3 HZ1 LYS 3 -0.244 -7.744 -8.363 32 2HZ LYS 3 HZ2 LYS 3 -0.090 -9.347 -7.849 33 3HZ LYS 3 HZ3 LYS 3 0.922 -8.153 -7.208 34 H GLN 4 HN GLN 4 -3.526 -1.336 -7.163 35 HA GLN 4 HA GLN 4 -6.201 -2.006 -6.406 36 1HB GLN 4 HB2 GLN 4 -5.442 0.308 -6.362 37 2HB GLN 4 HB1 GLN 4 -5.114 0.264 -8.087 38 1HG GLN 4 HG2 GLN 4 -7.222 0.748 -8.597 39 2HG GLN 4 HG1 GLN 4 -7.856 -0.462 -7.482 40 1HE2 GLN 4 HE21 GLN 4 -9.344 0.542 -6.324 41 2HE2 GLN 4 HE22 GLN 4 -9.127 2.033 -5.473 42 H ILE 5 HN ILE 5 -7.730 -2.980 -7.604 43 HA ILE 5 HA ILE 5 -7.039 -3.686 -10.372 44 HB ILE 5 HB ILE 5 -8.502 -5.070 -8.208 45 1HG1 ILE 5 HG12 ILE 5 -7.314 -6.963 -9.004 46 2HG1 ILE 5 HG11 ILE 5 -7.034 -6.222 -10.574 47 1HG2 ILE 5 HG21 ILE 5 -9.646 -6.577 -9.873 48 2HG2 ILE 5 HG22 ILE 5 -9.388 -5.316 -11.077 49 3HG2 ILE 5 HG23 ILE 5 -10.379 -4.989 -9.654 50 1HD1 ILE 5 HD11 ILE 5 -5.169 -6.376 -8.690 51 2HD1 ILE 5 HD12 ILE 5 -5.895 -4.837 -8.226 52 3HD1 ILE 5 HD13 ILE 5 -5.243 -5.050 -9.850 53 H GLU 6 HN GLU 6 -7.813 -2.335 -11.812 54 HA GLU 6 HA GLU 6 -10.412 -1.078 -11.378 55 1HB GLU 6 HB2 GLU 6 -7.992 -0.381 -12.964 56 2HB GLU 6 HB1 GLU 6 -9.550 0.182 -13.561 57 1HG GLU 6 HG2 GLU 6 -9.899 1.101 -11.192 58 2HG GLU 6 HG1 GLU 6 -8.166 0.855 -10.990 59 H SER 7 HN SER 7 -9.878 -3.910 -12.391 60 HA SER 7 HA SER 7 -11.890 -3.813 -14.465 61 1HB SER 7 HB2 SER 7 -9.041 -4.554 -15.002 62 2HB SER 7 HB1 SER 7 -10.325 -5.387 -15.879 63 HG SER 7 HG SER 7 -9.288 -3.060 -16.446 64 H LYS 8 HN LYS 8 -12.719 -5.952 -15.036 65 HA LYS 8 HA LYS 8 -12.939 -7.625 -12.740 66 1HB LYS 8 HB2 LYS 8 -14.807 -7.299 -14.296 67 2HB LYS 8 HB1 LYS 8 -13.882 -8.062 -15.582 68 1HG LYS 8 HG2 LYS 8 -13.905 -9.871 -13.422 69 2HG LYS 8 HG1 LYS 8 -15.552 -9.265 -13.608 70 1HD LYS 8 HD2 LYS 8 -15.294 -11.228 -14.971 71 2HD LYS 8 HD1 LYS 8 -15.422 -9.821 -16.031 72 1HE LYS 8 HE2 LYS 8 -13.178 -9.900 -16.612 73 2HE LYS 8 HE1 LYS 8 -12.735 -10.825 -15.178 74 1HZ LYS 8 HZ1 LYS 8 -14.557 -12.314 -16.735 75 2HZ LYS 8 HZ2 LYS 8 -12.965 -12.693 -16.319 76 3HZ LYS 8 HZ3 LYS 8 -13.282 -11.799 -17.723 77 H THR 9 HN THR 9 -11.016 -7.674 -15.653 78 HA THR 9 HA THR 9 -10.196 -10.418 -15.342 79 HB THR 9 HB THR 9 -8.692 -8.480 -17.055 80 HG1 THR 9 HG1 THR 9 -10.290 -8.581 -18.611 81 1HG2 THR 9 HG21 THR 9 -9.671 -10.972 -18.207 82 2HG2 THR 9 HG22 THR 9 -8.590 -11.194 -16.830 83 3HG2 THR 9 HG23 THR 9 -8.056 -10.261 -18.229 84 H ALA 10 HN ALA 10 -9.007 -7.260 -14.415 85 HA ALA 10 HA ALA 10 -6.351 -8.009 -13.810 86 1HB ALA 10 HB1 ALA 10 -8.015 -5.805 -12.594 87 2HB ALA 10 HB2 ALA 10 -7.022 -5.672 -14.046 88 3HB ALA 10 HB3 ALA 10 -6.260 -5.959 -12.480 89 H PHE 11 HN PHE 11 -9.350 -8.147 -11.990 90 HA PHE 11 HA PHE 11 -8.286 -8.649 -9.438 91 1HB PHE 11 HB2 PHE 11 -10.741 -8.206 -10.157 92 2HB PHE 11 HB1 PHE 11 -10.825 -9.944 -10.428 93 HD1 PHE 11 HD1 PHE 11 -9.081 -8.049 -7.743 94 HD2 PHE 11 HD2 PHE 11 -12.212 -10.746 -8.760 95 HE1 PHE 11 HE1 PHE 11 -9.555 -8.394 -5.355 96 HE2 PHE 11 HE2 PHE 11 -12.692 -11.095 -6.373 97 HZ PHE 11 HZ PHE 11 -11.363 -9.917 -4.668 98 H GLN 12 HN GLN 12 -9.126 -10.832 -12.080 99 HA GLN 12 HA GLN 12 -8.518 -13.236 -10.720 100 1HB GLN 12 HB2 GLN 12 -8.481 -12.633 -13.687 101 2HB GLN 12 HB1 GLN 12 -8.434 -14.240 -12.988 102 1HG GLN 12 HG2 GLN 12 -10.672 -12.602 -12.061 103 2HG GLN 12 HG1 GLN 12 -10.682 -12.940 -13.793 104 1HE2 GLN 12 HE21 GLN 12 -9.539 -14.935 -11.105 105 2HE2 GLN 12 HE22 GLN 12 -10.621 -16.251 -11.387 106 H GLU 13 HN GLU 13 -6.614 -11.016 -12.713 107 HA GLU 13 HA GLU 13 -4.269 -12.497 -12.934 108 1HB GLU 13 HB2 GLU 13 -4.966 -9.611 -13.095 109 2HB GLU 13 HB1 GLU 13 -3.262 -10.028 -12.945 110 1HG GLU 13 HG2 GLU 13 -3.415 -11.429 -14.927 111 2HG GLU 13 HG1 GLU 13 -5.133 -11.055 -15.069 112 H ALA 14 HN ALA 14 -5.184 -10.099 -10.459 113 HA ALA 14 HA ALA 14 -2.799 -10.348 -8.959 114 1HB ALA 14 HB1 ALA 14 -5.511 -9.462 -7.985 115 2HB ALA 14 HB2 ALA 14 -4.349 -8.428 -8.813 116 3HB ALA 14 HB3 ALA 14 -3.954 -9.114 -7.239 117 H LEU 15 HN LEU 15 -5.855 -12.073 -8.926 118 HA LEU 15 HA LEU 15 -5.480 -13.430 -6.463 119 1HB LEU 15 HB2 LEU 15 -7.247 -13.784 -8.842 120 2HB LEU 15 HB1 LEU 15 -7.111 -15.108 -7.702 121 HG LEU 15 HG LEU 15 -8.001 -12.309 -7.009 122 1HD1 LEU 15 HD11 LEU 15 -9.584 -14.855 -7.304 123 2HD1 LEU 15 HD12 LEU 15 -9.645 -13.463 -8.384 124 3HD1 LEU 15 HD13 LEU 15 -10.210 -13.314 -6.720 125 1HD2 LEU 15 HD21 LEU 15 -7.731 -14.826 -5.392 126 2HD2 LEU 15 HD22 LEU 15 -8.723 -13.458 -4.887 127 3HD2 LEU 15 HD23 LEU 15 -6.982 -13.255 -5.097 128 H ASP 16 HN ASP 16 -4.669 -14.209 -9.817 129 HA ASP 16 HA ASP 16 -3.742 -16.839 -9.283 130 1HB ASP 16 HB2 ASP 16 -4.379 -15.965 -11.553 131 2HB ASP 16 HB1 ASP 16 -2.890 -15.024 -11.552 132 H ALA 17 HN ALA 17 -2.312 -13.676 -9.056 133 HA ALA 17 HA ALA 17 0.395 -14.399 -9.077 134 1HB ALA 17 HB1 ALA 17 -1.010 -12.086 -7.758 135 2HB ALA 17 HB2 ALA 17 -0.181 -12.101 -9.318 136 3HB ALA 17 HB3 ALA 17 0.744 -12.257 -7.821 137 H ALA 18 HN ALA 18 -1.837 -13.997 -6.300 138 HA ALA 18 HA ALA 18 0.128 -14.739 -4.368 139 1HB ALA 18 HB1 ALA 18 -1.677 -13.558 -3.482 140 2HB ALA 18 HB2 ALA 18 -2.007 -15.216 -2.968 141 3HB ALA 18 HB3 ALA 18 -2.868 -14.532 -4.343 142 H GLY 19 HN GLY 19 -2.785 -16.499 -5.392 143 1HA GLY 19 HA2 GLY 19 -3.018 -18.726 -6.042 144 2HA GLY 19 HA1 GLY 19 -1.291 -18.941 -5.828 145 H ASP 20 HN ASP 20 -0.480 -19.278 -3.661 146 HA ASP 20 HA ASP 20 -2.403 -20.796 -2.068 147 1HB ASP 20 HB2 ASP 20 -0.408 -21.731 -0.958 148 2HB ASP 20 HB1 ASP 20 -0.339 -21.931 -2.705 149 H LYS 21 HN LYS 21 -0.742 -17.797 -1.999 150 HA LYS 21 HA LYS 21 -0.723 -17.477 0.842 151 1HB LYS 21 HB2 LYS 21 -0.213 -15.703 -1.513 152 2HB LYS 21 HB1 LYS 21 -0.515 -14.963 0.048 153 1HG LYS 21 HG2 LYS 21 1.374 -16.157 1.004 154 2HG LYS 21 HG1 LYS 21 1.661 -16.962 -0.540 155 1HD LYS 21 HD2 LYS 21 2.152 -14.840 -1.598 156 2HD LYS 21 HD1 LYS 21 1.749 -13.976 -0.112 157 1HE LYS 21 HE2 LYS 21 3.623 -15.725 0.783 158 2HE LYS 21 HE1 LYS 21 4.193 -15.434 -0.856 159 1HZ LYS 21 HZ1 LYS 21 4.985 -13.901 1.032 160 2HZ LYS 21 HZ2 LYS 21 3.466 -13.170 0.883 161 3HZ LYS 21 HZ3 LYS 21 4.522 -13.201 -0.438 162 H LEU 22 HN LEU 22 -2.094 -15.979 2.008 163 HA LEU 22 HA LEU 22 -4.840 -16.187 1.174 164 1HB LEU 22 HB2 LEU 22 -4.354 -16.510 3.496 165 2HB LEU 22 HB1 LEU 22 -3.502 -14.982 3.591 166 HG LEU 22 HG LEU 22 -5.485 -13.730 3.621 167 1HD1 LEU 22 HD11 LEU 22 -7.681 -15.345 3.326 168 2HD1 LEU 22 HD12 LEU 22 -6.582 -15.965 2.093 169 3HD1 LEU 22 HD13 LEU 22 -7.035 -14.259 2.095 170 1HD2 LEU 22 HD21 LEU 22 -6.795 -14.677 5.412 171 2HD2 LEU 22 HD22 LEU 22 -5.084 -15.025 5.677 172 3HD2 LEU 22 HD23 LEU 22 -6.154 -16.284 5.066 173 H VAL 23 HN VAL 23 -6.113 -14.611 0.376 174 HA VAL 23 HA VAL 23 -4.855 -11.993 -0.096 175 HB VAL 23 HB VAL 23 -7.026 -13.161 -1.808 176 1HG1 VAL 23 HG11 VAL 23 -5.627 -11.538 -3.407 177 2HG1 VAL 23 HG12 VAL 23 -5.308 -10.757 -1.858 178 3HG1 VAL 23 HG13 VAL 23 -6.968 -10.982 -2.405 179 1HG2 VAL 23 HG21 VAL 23 -5.398 -14.758 -2.195 180 2HG2 VAL 23 HG22 VAL 23 -4.071 -13.617 -1.948 181 3HG2 VAL 23 HG23 VAL 23 -5.028 -13.555 -3.428 182 H VAL 24 HN VAL 24 -5.640 -10.616 1.319 183 HA VAL 24 HA VAL 24 -8.526 -10.615 1.871 184 HB VAL 24 HB VAL 24 -7.080 -10.678 3.875 185 1HG1 VAL 24 HG11 VAL 24 -6.081 -7.969 3.009 186 2HG1 VAL 24 HG12 VAL 24 -5.154 -9.463 2.901 187 3HG1 VAL 24 HG13 VAL 24 -5.650 -8.844 4.477 188 1HG2 VAL 24 HG21 VAL 24 -8.961 -9.698 4.608 189 2HG2 VAL 24 HG22 VAL 24 -8.989 -8.532 3.285 190 3HG2 VAL 24 HG23 VAL 24 -7.964 -8.247 4.693 191 H VAL 25 HN VAL 25 -9.690 -9.221 0.773 192 HA VAL 25 HA VAL 25 -8.399 -6.754 -0.158 193 HB VAL 25 HB VAL 25 -9.928 -6.975 -2.197 194 1HG1 VAL 25 HG11 VAL 25 -8.302 -8.322 -3.364 195 2HG1 VAL 25 HG12 VAL 25 -7.725 -8.999 -1.844 196 3HG1 VAL 25 HG13 VAL 25 -7.478 -7.289 -2.196 197 1HG2 VAL 25 HG21 VAL 25 -9.826 -9.906 -1.600 198 2HG2 VAL 25 HG22 VAL 25 -10.808 -9.043 -2.783 199 3HG2 VAL 25 HG23 VAL 25 -11.193 -8.923 -1.064 200 H ASP 26 HN ASP 26 -10.013 -5.098 -0.873 201 HA ASP 26 HA ASP 26 -12.438 -5.182 0.782 202 1HB ASP 26 HB2 ASP 26 -10.563 -3.896 1.895 203 2HB ASP 26 HB1 ASP 26 -10.677 -2.738 0.571 204 H PHE 27 HN PHE 27 -14.225 -4.356 -0.097 205 HA PHE 27 HA PHE 27 -14.031 -3.268 -2.829 206 1HB PHE 27 HB2 PHE 27 -15.997 -4.917 -1.362 207 2HB PHE 27 HB1 PHE 27 -16.689 -3.679 -2.410 208 HD1 PHE 27 HD1 PHE 27 -14.380 -6.582 -2.363 209 HD2 PHE 27 HD2 PHE 27 -16.785 -3.979 -4.723 210 HE1 PHE 27 HE1 PHE 27 -14.039 -8.044 -4.315 211 HE2 PHE 27 HE2 PHE 27 -16.451 -5.435 -6.677 212 HZ PHE 27 HZ PHE 27 -15.077 -7.469 -6.477 213 H SER 28 HN SER 28 -13.989 -1.088 -2.829 214 HA SER 28 HA SER 28 -15.712 0.340 -0.910 215 1HB SER 28 HB2 SER 28 -14.067 1.991 -0.604 216 2HB SER 28 HB1 SER 28 -13.161 0.479 -0.618 217 HG SER 28 HG SER 28 -12.168 2.012 -1.953 218 H ALA 29 HN ALA 29 -15.449 2.867 -1.819 219 HA ALA 29 HA ALA 29 -16.102 2.998 -4.638 220 1HB ALA 29 HB1 ALA 29 -18.154 2.965 -2.562 221 2HB ALA 29 HB2 ALA 29 -18.309 2.763 -4.308 222 3HB ALA 29 HB3 ALA 29 -18.255 4.380 -3.609 223 H THR 30 HN THR 30 -16.170 5.214 -5.430 224 HA THR 30 HA THR 30 -14.377 6.946 -4.009 225 HB THR 30 HB THR 30 -15.353 8.533 -5.962 226 HG1 THR 30 HG1 THR 30 -16.563 7.453 -7.259 227 1HG2 THR 30 HG21 THR 30 -13.187 6.550 -5.881 228 2HG2 THR 30 HG22 THR 30 -13.154 8.268 -6.285 229 3HG2 THR 30 HG23 THR 30 -13.678 7.090 -7.489 230 H TRP 31 HN TRP 31 -17.809 6.694 -4.525 231 HA TRP 31 HA TRP 31 -18.425 9.239 -3.272 232 1HB TRP 31 HB2 TRP 31 -20.743 8.653 -3.785 233 2HB TRP 31 HB1 TRP 31 -19.728 8.366 -5.198 234 HD1 TRP 31 HD1 TRP 31 -19.180 5.750 -5.796 235 HE1 TRP 31 HE1 TRP 31 -20.494 3.592 -5.240 236 HE3 TRP 31 HE3 TRP 31 -22.276 7.566 -2.146 237 HZ2 TRP 31 HZ2 TRP 31 -22.561 2.790 -3.536 238 HZ3 TRP 31 HZ3 TRP 31 -23.894 6.031 -1.109 239 HH2 TRP 31 HH2 TRP 31 -24.029 3.691 -1.793 240 H CYS 32 HN CYS 32 -17.323 6.555 -1.865 241 HA CYS 32 HA CYS 32 -19.371 6.360 0.210 242 1HB CYS 32 HB2 CYS 32 -18.267 4.294 -0.780 243 2HB CYS 32 HB1 CYS 32 -16.807 4.775 0.078 244 H GLY 33 HN GLY 33 -18.785 6.452 2.484 245 1HA GLY 33 HA2 GLY 33 -16.689 8.476 2.939 246 2HA GLY 33 HA1 GLY 33 -18.120 8.274 3.938 247 HA PRO 34 HA PRO 34 -16.048 5.538 6.705 248 1HB PRO 34 HB2 PRO 34 -17.868 3.275 6.153 249 2HB PRO 34 HB1 PRO 34 -17.585 4.147 7.664 250 1HG PRO 34 HG2 PRO 34 -19.858 4.461 6.302 251 2HG PRO 34 HG1 PRO 34 -19.083 5.833 7.128 252 1HD PRO 34 HD2 PRO 34 -19.047 5.104 4.215 253 2HD PRO 34 HD1 PRO 34 -19.248 6.701 4.975 254 H CYS 35 HN CYS 35 -16.702 4.278 3.515 255 HA CYS 35 HA CYS 35 -15.167 1.924 3.618 256 1HB CYS 35 HB2 CYS 35 -15.622 3.723 1.224 257 2HB CYS 35 HB1 CYS 35 -15.107 2.036 1.176 258 H LYS 36 HN LYS 36 -14.320 5.234 2.734 259 HA LYS 36 HA LYS 36 -11.650 4.732 1.997 260 1HB LYS 36 HB2 LYS 36 -12.904 7.268 3.070 261 2HB LYS 36 HB1 LYS 36 -11.350 7.170 2.265 262 1HG LYS 36 HG2 LYS 36 -12.425 6.454 0.208 263 2HG LYS 36 HG1 LYS 36 -13.997 6.464 1.012 264 1HD LYS 36 HD2 LYS 36 -12.210 8.856 0.547 265 2HD LYS 36 HD1 LYS 36 -13.697 8.479 -0.325 266 1HE LYS 36 HE2 LYS 36 -14.581 9.915 1.182 267 2HE LYS 36 HE1 LYS 36 -14.652 8.456 2.172 268 1HZ LYS 36 HZ1 LYS 36 -12.828 10.745 2.362 269 2HZ LYS 36 HZ2 LYS 36 -12.266 9.226 2.850 270 3HZ LYS 36 HZ3 LYS 36 -13.628 9.904 3.592 271 H MET 37 HN MET 37 -13.177 5.186 5.107 272 HA MET 37 HA MET 37 -10.886 5.883 6.585 273 1HB MET 37 HB2 MET 37 -13.477 4.575 7.401 274 2HB MET 37 HB1 MET 37 -12.254 5.113 8.546 275 1HG MET 37 HG2 MET 37 -12.494 7.406 7.653 276 2HG MET 37 HG1 MET 37 -13.801 6.832 6.621 277 1HE MET 37 HE1 MET 37 -14.543 9.265 9.416 278 2HE MET 37 HE2 MET 37 -12.899 8.727 9.090 279 3HE MET 37 HE3 MET 37 -13.657 8.358 10.639 280 H ILE 38 HN ILE 38 -11.792 2.865 5.200 281 HA ILE 38 HA ILE 38 -10.351 1.284 7.164 282 HB ILE 38 HB ILE 38 -11.454 0.363 4.511 283 1HG1 ILE 38 HG12 ILE 38 -13.166 1.453 6.020 284 2HG1 ILE 38 HG11 ILE 38 -13.492 -0.226 5.601 285 1HG2 ILE 38 HG21 ILE 38 -10.364 -1.005 6.930 286 2HG2 ILE 38 HG22 ILE 38 -10.060 -1.326 5.224 287 3HG2 ILE 38 HG23 ILE 38 -11.589 -1.807 5.952 288 1HD1 ILE 38 HD11 ILE 38 -12.258 0.701 8.184 289 2HD1 ILE 38 HD12 ILE 38 -12.707 -0.951 7.763 290 3HD1 ILE 38 HD13 ILE 38 -13.954 0.278 7.955 291 H LYS 39 HN LYS 39 -9.707 2.858 4.152 292 HA LYS 39 HA LYS 39 -7.688 1.358 3.029 293 1HB LYS 39 HB2 LYS 39 -8.328 4.259 3.091 294 2HB LYS 39 HB1 LYS 39 -6.737 3.796 2.497 295 1HG LYS 39 HG2 LYS 39 -7.833 2.289 0.866 296 2HG LYS 39 HG1 LYS 39 -9.400 2.901 1.410 297 1HD LYS 39 HD2 LYS 39 -8.855 4.140 -0.531 298 2HD LYS 39 HD1 LYS 39 -8.539 5.215 0.831 299 1HE LYS 39 HE2 LYS 39 -6.140 4.513 0.720 300 2HE LYS 39 HE1 LYS 39 -6.518 3.649 -0.770 301 1HZ LYS 39 HZ1 LYS 39 -5.658 5.761 -1.356 302 2HZ LYS 39 HZ2 LYS 39 -6.687 6.569 -0.287 303 3HZ LYS 39 HZ3 LYS 39 -7.322 5.819 -1.665 304 HA PRO 40 HA PRO 40 -4.348 3.920 5.659 305 1HB PRO 40 HB2 PRO 40 -5.545 4.363 8.200 306 2HB PRO 40 HB1 PRO 40 -5.013 5.574 7.039 307 1HG PRO 40 HG2 PRO 40 -7.725 4.511 7.545 308 2HG PRO 40 HG1 PRO 40 -7.230 6.092 6.915 309 1HD PRO 40 HD2 PRO 40 -8.330 4.213 5.331 310 2HD PRO 40 HD1 PRO 40 -7.072 5.317 4.740 311 H PHE 41 HN PHE 41 -6.774 2.056 7.502 312 HA PHE 41 HA PHE 41 -4.730 0.665 8.958 313 1HB PHE 41 HB2 PHE 41 -7.631 -0.134 8.832 314 2HB PHE 41 HB1 PHE 41 -6.480 -0.391 10.141 315 HD1 PHE 41 HD1 PHE 41 -5.368 2.033 10.864 316 HD2 PHE 41 HD2 PHE 41 -9.280 1.352 9.338 317 HE1 PHE 41 HE1 PHE 41 -6.144 4.104 11.942 318 HE2 PHE 41 HE2 PHE 41 -10.067 3.420 10.415 319 HZ PHE 41 HZ PHE 41 -8.496 4.799 11.716 320 H PHE 42 HN PHE 42 -6.720 -0.053 6.136 321 HA PHE 42 HA PHE 42 -6.190 -2.839 6.107 322 1HB PHE 42 HB2 PHE 42 -7.962 -1.412 4.787 323 2HB PHE 42 HB1 PHE 42 -6.687 -1.311 3.578 324 HD1 PHE 42 HD1 PHE 42 -8.865 -3.636 5.451 325 HD2 PHE 42 HD2 PHE 42 -6.177 -3.146 2.185 326 HE1 PHE 42 HE1 PHE 42 -9.519 -5.844 4.584 327 HE2 PHE 42 HE2 PHE 42 -6.832 -5.349 1.312 328 HZ PHE 42 HZ PHE 42 -8.504 -6.703 2.510 329 H HIS 43 HN HIS 43 -4.658 -0.063 4.528 330 HA HIS 43 HA HIS 43 -2.719 -1.553 3.112 331 1HB HIS 43 HB2 HIS 43 -3.536 1.063 3.140 332 2HB HIS 43 HB1 HIS 43 -1.932 1.174 3.863 333 HD1 HIS 43 HD1 HIS 43 -3.526 1.247 0.670 334 HD2 HIS 43 HD2 HIS 43 0.043 -0.306 2.122 335 HE1 HIS 43 HE1 HIS 43 -2.073 0.804 -1.350 336 H SER 44 HN SER 44 -2.703 -0.058 6.329 337 HA SER 44 HA SER 44 0.031 -0.346 6.870 338 1HB SER 44 HB2 SER 44 -1.459 1.022 8.260 339 2HB SER 44 HB1 SER 44 -2.313 -0.426 8.793 340 HG SER 44 HG SER 44 -0.691 0.322 10.279 341 H LEU 45 HN LEU 45 -2.695 -2.547 7.398 342 HA LEU 45 HA LEU 45 -1.317 -4.566 8.761 343 1HB LEU 45 HB2 LEU 45 -3.693 -4.712 6.909 344 2HB LEU 45 HB1 LEU 45 -3.124 -6.065 7.866 345 HG LEU 45 HG LEU 45 -3.879 -3.474 9.176 346 1HD1 LEU 45 HD11 LEU 45 -6.084 -4.816 9.598 347 2HD1 LEU 45 HD12 LEU 45 -5.646 -5.613 8.087 348 3HD1 LEU 45 HD13 LEU 45 -5.885 -3.866 8.126 349 1HD2 LEU 45 HD21 LEU 45 -4.039 -4.758 11.131 350 2HD2 LEU 45 HD22 LEU 45 -2.595 -5.369 10.324 351 3HD2 LEU 45 HD23 LEU 45 -4.103 -6.275 10.232 352 H SER 46 HN SER 46 -1.738 -3.960 5.311 353 HA SER 46 HA SER 46 -0.681 -6.292 4.258 354 1HB SER 46 HB2 SER 46 -0.049 -3.638 3.011 355 2HB SER 46 HB1 SER 46 -0.525 -5.148 2.235 356 HG SER 46 HG SER 46 -2.261 -3.724 2.207 357 H GLU 47 HN GLU 47 0.957 -3.632 5.835 358 HA GLU 47 HA GLU 47 3.577 -4.495 4.920 359 1HB GLU 47 HB2 GLU 47 2.554 -2.223 6.579 360 2HB GLU 47 HB1 GLU 47 4.261 -2.640 6.630 361 1HG GLU 47 HG2 GLU 47 2.768 -2.043 4.090 362 2HG GLU 47 HG1 GLU 47 3.626 -0.825 5.031 363 H LYS 48 HN LYS 48 1.474 -5.015 7.605 364 HA LYS 48 HA LYS 48 3.667 -6.010 9.271 365 1HB LYS 48 HB2 LYS 48 1.855 -4.628 10.293 366 2HB LYS 48 HB1 LYS 48 0.703 -5.895 9.886 367 1HG LYS 48 HG2 LYS 48 2.164 -7.451 11.273 368 2HG LYS 48 HG1 LYS 48 2.951 -5.984 11.873 369 1HD LYS 48 HD2 LYS 48 1.300 -6.363 13.461 370 2HD LYS 48 HD1 LYS 48 0.538 -5.193 12.379 371 1HE LYS 48 HE2 LYS 48 -1.099 -6.847 12.752 372 2HE LYS 48 HE1 LYS 48 -0.446 -7.187 11.152 373 1HZ LYS 48 HZ1 LYS 48 -0.532 -8.873 13.399 374 2HZ LYS 48 HZ2 LYS 48 1.090 -8.602 12.997 375 3HZ LYS 48 HZ3 LYS 48 0.026 -9.222 11.838 376 H TYR 49 HN TYR 49 1.223 -7.076 7.114 377 HA TYR 49 HA TYR 49 1.449 -9.852 8.018 378 1HB TYR 49 HB2 TYR 49 -0.441 -8.354 6.259 379 2HB TYR 49 HB1 TYR 49 -0.217 -10.076 5.965 380 HD1 TYR 49 HD1 TYR 49 -1.181 -11.705 7.410 381 HD2 TYR 49 HD2 TYR 49 -1.262 -7.586 8.494 382 HE1 TYR 49 HE1 TYR 49 -2.743 -12.220 9.239 383 HE2 TYR 49 HE2 TYR 49 -2.826 -8.094 10.321 384 HH TYR 49 HH TYR 49 -3.303 -10.956 11.603 385 H SER 50 HN SER 50 3.430 -10.536 7.347 386 HA SER 50 HA SER 50 4.204 -10.074 4.569 387 1HB SER 50 HB2 SER 50 5.810 -9.694 6.505 388 2HB SER 50 HB1 SER 50 5.846 -11.450 6.700 389 HG SER 50 HG SER 50 7.470 -10.289 5.252 390 H ASN 51 HN ASN 51 2.027 -11.746 4.784 391 HA ASN 51 HA ASN 51 3.063 -14.138 3.572 392 1HB ASN 51 HB2 ASN 51 2.922 -14.506 6.140 393 2HB ASN 51 HB1 ASN 51 1.185 -14.581 5.869 394 1HD2 ASN 51 HD21 ASN 51 3.626 -16.473 6.436 395 2HD2 ASN 51 HD22 ASN 51 3.249 -17.852 5.468 396 H VAL 52 HN VAL 52 1.025 -11.706 3.376 397 HA VAL 52 HA VAL 52 -0.970 -13.244 1.890 398 HB VAL 52 HB VAL 52 -2.843 -12.052 2.875 399 1HG1 VAL 52 HG11 VAL 52 -1.409 -12.929 5.313 400 2HG1 VAL 52 HG12 VAL 52 -1.615 -14.109 4.014 401 3HG1 VAL 52 HG13 VAL 52 -3.025 -13.339 4.738 402 1HG2 VAL 52 HG21 VAL 52 -2.030 -10.857 5.173 403 2HG2 VAL 52 HG22 VAL 52 -2.359 -10.006 3.665 404 3HG2 VAL 52 HG23 VAL 52 -0.702 -10.445 4.085 405 H ILE 53 HN ILE 53 -2.195 -11.932 0.352 406 HA ILE 53 HA ILE 53 -0.688 -9.531 -0.417 407 HB ILE 53 HB ILE 53 -1.018 -11.658 -1.953 408 1HG1 ILE 53 HG12 ILE 53 -0.917 -10.083 -3.959 409 2HG1 ILE 53 HG11 ILE 53 -1.081 -8.769 -2.792 410 1HG2 ILE 53 HG21 ILE 53 -3.411 -10.063 -2.821 411 2HG2 ILE 53 HG22 ILE 53 -3.512 -11.531 -1.846 412 3HG2 ILE 53 HG23 ILE 53 -2.825 -11.597 -3.468 413 1HD1 ILE 53 HD11 ILE 53 1.191 -8.899 -3.002 414 2HD1 ILE 53 HD12 ILE 53 1.180 -10.652 -3.235 415 3HD1 ILE 53 HD13 ILE 53 0.927 -9.971 -1.628 416 H PHE 54 HN PHE 54 -1.572 -7.692 0.083 417 HA PHE 54 HA PHE 54 -4.469 -7.479 0.500 418 1HB PHE 54 HB2 PHE 54 -2.069 -5.895 1.321 419 2HB PHE 54 HB1 PHE 54 -3.591 -5.056 1.162 420 HD1 PHE 54 HD1 PHE 54 -2.431 -8.276 2.750 421 HD2 PHE 54 HD2 PHE 54 -4.645 -4.651 3.098 422 HE1 PHE 54 HE1 PHE 54 -3.014 -8.840 5.080 423 HE2 PHE 54 HE2 PHE 54 -5.233 -5.220 5.412 424 HZ PHE 54 HZ PHE 54 -4.414 -7.312 6.408 425 H LEU 55 HN LEU 55 -5.649 -6.783 -1.267 426 HA LEU 55 HA LEU 55 -4.390 -4.693 -2.871 427 1HB LEU 55 HB2 LEU 55 -4.663 -5.688 -4.823 428 2HB LEU 55 HB1 LEU 55 -4.652 -7.150 -3.863 429 HG LEU 55 HG LEU 55 -7.339 -6.493 -3.955 430 1HD1 LEU 55 HD11 LEU 55 -6.056 -5.883 -6.613 431 2HD1 LEU 55 HD12 LEU 55 -6.907 -4.734 -5.584 432 3HD1 LEU 55 HD13 LEU 55 -7.785 -6.066 -6.332 433 1HD2 LEU 55 HD21 LEU 55 -6.252 -8.715 -4.234 434 2HD2 LEU 55 HD22 LEU 55 -5.826 -8.255 -5.883 435 3HD2 LEU 55 HD23 LEU 55 -7.519 -8.406 -5.420 436 H GLU 56 HN GLU 56 -5.987 -3.499 -4.264 437 HA GLU 56 HA GLU 56 -8.369 -2.976 -2.620 438 1HB GLU 56 HB2 GLU 56 -6.262 -1.386 -3.025 439 2HB GLU 56 HB1 GLU 56 -7.238 -0.918 -4.408 440 1HG GLU 56 HG2 GLU 56 -8.109 0.555 -2.962 441 2HG GLU 56 HG1 GLU 56 -9.094 -0.822 -2.469 442 H VAL 57 HN VAL 57 -10.278 -3.358 -3.594 443 HA VAL 57 HA VAL 57 -10.385 -3.024 -6.522 444 HB VAL 57 HB VAL 57 -12.370 -4.764 -5.121 445 1HG1 VAL 57 HG11 VAL 57 -12.021 -5.904 -7.447 446 2HG1 VAL 57 HG12 VAL 57 -11.310 -4.347 -7.874 447 3HG1 VAL 57 HG13 VAL 57 -12.978 -4.430 -7.311 448 1HG2 VAL 57 HG21 VAL 57 -10.027 -5.503 -4.478 449 2HG2 VAL 57 HG22 VAL 57 -9.769 -5.840 -6.189 450 3HG2 VAL 57 HG23 VAL 57 -11.026 -6.703 -5.300 451 H ASP 58 HN ASP 58 -11.539 -1.387 -7.157 452 HA ASP 58 HA ASP 58 -13.602 -0.281 -5.394 453 1HB ASP 58 HB2 ASP 58 -11.897 1.292 -6.183 454 2HB ASP 58 HB1 ASP 58 -12.255 0.868 -7.855 455 H VAL 59 HN VAL 59 -15.661 -0.786 -5.807 456 HA VAL 59 HA VAL 59 -16.438 -2.397 -7.941 457 HB VAL 59 HB VAL 59 -17.706 -2.259 -5.845 458 1HG1 VAL 59 HG11 VAL 59 -17.523 0.363 -5.895 459 2HG1 VAL 59 HG12 VAL 59 -18.902 -0.430 -5.133 460 3HG1 VAL 59 HG13 VAL 59 -19.056 0.239 -6.759 461 1HG2 VAL 59 HG21 VAL 59 -18.647 -2.779 -8.297 462 2HG2 VAL 59 HG22 VAL 59 -19.722 -1.456 -7.846 463 3HG2 VAL 59 HG23 VAL 59 -19.632 -2.902 -6.840 464 H ASP 60 HN ASP 60 -15.966 0.994 -7.857 465 HA ASP 60 HA ASP 60 -17.767 1.786 -9.880 466 1HB ASP 60 HB2 ASP 60 -16.089 3.132 -8.256 467 2HB ASP 60 HB1 ASP 60 -15.142 3.154 -9.743 468 H ASP 61 HN ASP 61 -14.488 0.541 -9.932 469 HA ASP 61 HA ASP 61 -14.482 0.529 -12.865 470 1HB ASP 61 HB2 ASP 61 -12.216 -0.108 -10.955 471 2HB ASP 61 HB1 ASP 61 -12.091 0.078 -12.704 472 H ALA 62 HN ALA 62 -14.359 -1.571 -10.066 473 HA ALA 62 HA ALA 62 -14.249 -3.944 -11.751 474 1HB ALA 62 HB1 ALA 62 -14.506 -4.354 -8.867 475 2HB ALA 62 HB2 ALA 62 -13.110 -3.375 -9.328 476 3HB ALA 62 HB3 ALA 62 -13.311 -4.992 -9.998 477 H GLN 63 HN GLN 63 -16.550 -2.537 -12.154 478 HA GLN 63 HA GLN 63 -18.676 -3.368 -10.451 479 1HB GLN 63 HB2 GLN 63 -18.580 -1.347 -12.069 480 2HB GLN 63 HB1 GLN 63 -19.060 -2.507 -13.307 481 1HG GLN 63 HG2 GLN 63 -20.876 -3.046 -11.385 482 2HG GLN 63 HG1 GLN 63 -20.608 -1.327 -11.103 483 1HE2 GLN 63 HE21 GLN 63 -22.882 -2.952 -12.238 484 2HE2 GLN 63 HE22 GLN 63 -23.270 -2.163 -13.723 485 H ASP 64 HN ASP 64 -16.892 -5.044 -12.791 486 HA ASP 64 HA ASP 64 -19.119 -6.788 -13.523 487 1HB ASP 64 HB2 ASP 64 -16.437 -6.223 -14.607 488 2HB ASP 64 HB1 ASP 64 -16.936 -7.904 -14.709 489 H VAL 65 HN VAL 65 -16.469 -6.690 -11.303 490 HA VAL 65 HA VAL 65 -16.369 -9.550 -10.933 491 HB VAL 65 HB VAL 65 -14.987 -8.912 -8.849 492 1HG1 VAL 65 HG11 VAL 65 -13.597 -9.736 -10.409 493 2HG1 VAL 65 HG12 VAL 65 -13.118 -8.049 -10.597 494 3HG1 VAL 65 HG13 VAL 65 -14.296 -8.761 -11.700 495 1HG2 VAL 65 HG21 VAL 65 -15.744 -6.573 -8.736 496 2HG2 VAL 65 HG22 VAL 65 -14.929 -6.257 -10.269 497 3HG2 VAL 65 HG23 VAL 65 -13.988 -6.721 -8.846 498 H ALA 66 HN ALA 66 -17.658 -6.766 -9.055 499 HA ALA 66 HA ALA 66 -18.563 -8.073 -6.830 500 1HB ALA 66 HB1 ALA 66 -18.995 -5.572 -8.092 501 2HB ALA 66 HB2 ALA 66 -19.269 -6.011 -6.407 502 3HB ALA 66 HB3 ALA 66 -20.563 -6.201 -7.588 503 HA PRO 67 HA PRO 67 -22.899 -8.896 -9.066 504 1HB PRO 67 HB2 PRO 67 -21.815 -9.059 -11.842 505 2HB PRO 67 HB1 PRO 67 -23.376 -8.461 -11.280 506 1HG PRO 67 HG2 PRO 67 -21.468 -6.762 -12.022 507 2HG PRO 67 HG1 PRO 67 -22.504 -6.407 -10.629 508 1HD PRO 67 HD2 PRO 67 -19.678 -7.349 -10.715 509 2HD PRO 67 HD1 PRO 67 -20.466 -6.223 -9.590 510 H LYS 68 HN LYS 68 -19.798 -10.114 -10.127 511 HA LYS 68 HA LYS 68 -20.733 -12.772 -10.704 512 1HB LYS 68 HB2 LYS 68 -18.052 -11.445 -10.565 513 2HB LYS 68 HB1 LYS 68 -18.138 -13.197 -10.526 514 1HG LYS 68 HG2 LYS 68 -19.302 -13.199 -12.670 515 2HG LYS 68 HG1 LYS 68 -19.249 -11.433 -12.707 516 1HD LYS 68 HD2 LYS 68 -16.927 -11.394 -12.987 517 2HD LYS 68 HD1 LYS 68 -16.742 -13.061 -12.436 518 1HE LYS 68 HE2 LYS 68 -16.424 -12.908 -14.844 519 2HE LYS 68 HE1 LYS 68 -17.867 -13.849 -14.463 520 1HZ LYS 68 HZ1 LYS 68 -17.638 -11.225 -15.724 521 2HZ LYS 68 HZ2 LYS 68 -18.971 -11.484 -14.716 522 3HZ LYS 68 HZ3 LYS 68 -18.714 -12.492 -16.050 523 H TYR 69 HN TYR 69 -19.620 -11.022 -7.914 524 HA TYR 69 HA TYR 69 -19.380 -13.504 -6.350 525 1HB TYR 69 HB2 TYR 69 -18.392 -10.696 -5.946 526 2HB TYR 69 HB1 TYR 69 -18.395 -11.883 -4.649 527 HD1 TYR 69 HD1 TYR 69 -17.397 -14.287 -5.561 528 HD2 TYR 69 HD2 TYR 69 -16.380 -10.406 -6.977 529 HE1 TYR 69 HE1 TYR 69 -15.261 -15.161 -6.410 530 HE2 TYR 69 HE2 TYR 69 -14.243 -11.266 -7.825 531 HH TYR 69 HH TYR 69 -13.481 -13.856 -8.600 532 H GLY 70 HN GLY 70 -21.662 -11.233 -7.053 533 1HA GLY 70 HA2 GLY 70 -23.702 -10.727 -6.125 534 2HA GLY 70 HA1 GLY 70 -23.429 -12.054 -5.010 535 H ILE 71 HN ILE 71 -21.419 -9.132 -5.279 536 HA ILE 71 HA ILE 71 -21.722 -8.676 -2.450 537 HB ILE 71 HB ILE 71 -20.346 -6.965 -4.531 538 1HG1 ILE 71 HG12 ILE 71 -19.127 -8.863 -2.520 539 2HG1 ILE 71 HG11 ILE 71 -19.427 -9.289 -4.205 540 1HG2 ILE 71 HG21 ILE 71 -20.845 -5.589 -2.655 541 2HG2 ILE 71 HG22 ILE 71 -19.149 -6.047 -2.512 542 3HG2 ILE 71 HG23 ILE 71 -20.365 -6.851 -1.521 543 1HD1 ILE 71 HD11 ILE 71 -17.350 -8.569 -4.558 544 2HD1 ILE 71 HD12 ILE 71 -17.284 -7.721 -3.012 545 3HD1 ILE 71 HD13 ILE 71 -18.024 -6.945 -4.412 546 H ARG 72 HN ARG 72 -23.027 -7.232 -1.449 547 HA ARG 72 HA ARG 72 -24.296 -5.106 -2.959 548 1HB ARG 72 HB2 ARG 72 -25.769 -7.075 -3.278 549 2HB ARG 72 HB1 ARG 72 -25.971 -7.178 -1.534 550 1HG ARG 72 HG2 ARG 72 -27.806 -5.950 -1.938 551 2HG ARG 72 HG1 ARG 72 -26.662 -4.608 -1.949 552 1HD ARG 72 HD2 ARG 72 -27.005 -6.052 -4.498 553 2HD ARG 72 HD1 ARG 72 -28.388 -5.107 -3.950 554 HE ARG 72 HE ARG 72 -25.939 -3.636 -3.824 555 1HH1 ARG 72 HH11 ARG 72 -28.484 -4.676 -5.970 556 2HH1 ARG 72 HH12 ARG 72 -28.266 -3.363 -7.074 557 1HH2 ARG 72 HH21 ARG 72 -25.636 -1.907 -5.284 558 2HH2 ARG 72 HH22 ARG 72 -26.652 -1.787 -6.683 559 H GLY 73 HN GLY 73 -22.497 -4.569 -1.139 560 1HA GLY 73 HA2 GLY 73 -23.701 -2.865 0.668 561 2HA GLY 73 HA1 GLY 73 -23.469 -4.371 1.539 562 H ILE 74 HN ILE 74 -22.048 -1.469 0.522 563 HA ILE 74 HA ILE 74 -19.324 -2.404 1.114 564 HB ILE 74 HB ILE 74 -18.639 -0.139 0.254 565 1HG1 ILE 74 HG12 ILE 74 -21.352 0.040 -1.008 566 2HG1 ILE 74 HG11 ILE 74 -21.087 0.712 0.599 567 1HG2 ILE 74 HG21 ILE 74 -18.219 -1.713 -1.325 568 2HG2 ILE 74 HG22 ILE 74 -19.445 -0.782 -2.187 569 3HG2 ILE 74 HG23 ILE 74 -19.887 -2.280 -1.369 570 1HD1 ILE 74 HD11 ILE 74 -20.094 2.506 -0.241 571 2HD1 ILE 74 HD12 ILE 74 -20.615 1.956 -1.831 572 3HD1 ILE 74 HD13 ILE 74 -19.015 1.525 -1.231 573 HA PRO 75 HA PRO 75 -17.354 -1.143 1.492 574 1HB PRO 75 HB2 PRO 75 -15.591 -1.283 3.516 575 2HB PRO 75 HB1 PRO 75 -16.112 0.269 2.847 576 1HG PRO 75 HG2 PRO 75 -17.026 -1.123 5.331 577 2HG PRO 75 HG1 PRO 75 -16.659 0.592 5.083 578 1HD PRO 75 HD2 PRO 75 -19.197 -0.441 5.081 579 2HD PRO 75 HD1 PRO 75 -18.728 1.030 4.203 580 H THR 76 HN THR 76 -17.462 -3.234 0.824 581 HA THR 76 HA THR 76 -17.841 -5.364 2.756 582 HB THR 76 HB THR 76 -17.342 -6.123 -0.041 583 HG1 THR 76 HG1 THR 76 -19.390 -4.294 0.610 584 1HG2 THR 76 HG21 THR 76 -18.591 -7.331 1.996 585 2HG2 THR 76 HG22 THR 76 -18.934 -7.669 0.300 586 3HG2 THR 76 HG23 THR 76 -19.972 -6.569 1.206 587 H LEU 77 HN LEU 77 -16.337 -6.833 3.345 588 HA LEU 77 HA LEU 77 -13.621 -6.459 2.276 589 1HB LEU 77 HB2 LEU 77 -14.603 -6.654 4.948 590 2HB LEU 77 HB1 LEU 77 -13.633 -8.083 4.635 591 HG LEU 77 HG LEU 77 -11.923 -6.255 3.708 592 1HD1 LEU 77 HD11 LEU 77 -12.900 -4.693 6.017 593 2HD1 LEU 77 HD12 LEU 77 -13.832 -4.553 4.523 594 3HD1 LEU 77 HD13 LEU 77 -12.113 -4.158 4.530 595 1HD2 LEU 77 HD21 LEU 77 -12.389 -7.194 6.520 596 2HD2 LEU 77 HD22 LEU 77 -11.012 -6.173 6.104 597 3HD2 LEU 77 HD23 LEU 77 -11.197 -7.754 5.346 598 H LEU 78 HN LEU 78 -12.910 -7.990 0.953 599 HA LEU 78 HA LEU 78 -14.258 -10.606 1.032 600 1HB LEU 78 HB2 LEU 78 -13.161 -8.952 -1.201 601 2HB LEU 78 HB1 LEU 78 -13.218 -10.692 -1.392 602 HG LEU 78 HG LEU 78 -15.506 -8.760 -1.125 603 1HD1 LEU 78 HD11 LEU 78 -14.234 -9.849 -3.303 604 2HD1 LEU 78 HD12 LEU 78 -15.850 -9.146 -3.288 605 3HD1 LEU 78 HD13 LEU 78 -15.645 -10.888 -3.104 606 1HD2 LEU 78 HD21 LEU 78 -16.874 -10.992 -1.271 607 2HD2 LEU 78 HD22 LEU 78 -16.361 -10.350 0.287 608 3HD2 LEU 78 HD23 LEU 78 -15.462 -11.667 -0.462 609 H LEU 79 HN LEU 79 -13.149 -12.430 1.243 610 HA LEU 79 HA LEU 79 -10.216 -12.249 1.363 611 1HB LEU 79 HB2 LEU 79 -12.231 -13.492 3.133 612 2HB LEU 79 HB1 LEU 79 -10.805 -14.465 2.828 613 HG LEU 79 HG LEU 79 -10.667 -13.120 4.902 614 1HD1 LEU 79 HD11 LEU 79 -8.717 -12.708 2.672 615 2HD1 LEU 79 HD12 LEU 79 -8.592 -13.752 4.087 616 3HD1 LEU 79 HD13 LEU 79 -8.439 -12.005 4.264 617 1HD2 LEU 79 HD21 LEU 79 -10.203 -10.648 3.347 618 2HD2 LEU 79 HD22 LEU 79 -10.854 -10.865 4.974 619 3HD2 LEU 79 HD23 LEU 79 -11.877 -11.159 3.566 620 H PHE 80 HN PHE 80 -9.137 -13.473 -0.060 621 HA PHE 80 HA PHE 80 -10.624 -15.642 -1.379 622 1HB PHE 80 HB2 PHE 80 -8.704 -13.589 -2.419 623 2HB PHE 80 HB1 PHE 80 -8.900 -15.114 -3.269 624 HD1 PHE 80 HD1 PHE 80 -10.450 -11.963 -2.333 625 HD2 PHE 80 HD2 PHE 80 -11.013 -15.655 -4.381 626 HE1 PHE 80 HE1 PHE 80 -12.453 -11.045 -3.420 627 HE2 PHE 80 HE2 PHE 80 -13.022 -14.736 -5.478 628 HZ PHE 80 HZ PHE 80 -13.742 -12.429 -4.995 629 H LYS 81 HN LYS 81 -9.574 -17.543 -1.844 630 HA LYS 81 HA LYS 81 -6.843 -17.933 -0.933 631 1HB LYS 81 HB2 LYS 81 -8.781 -18.409 0.881 632 2HB LYS 81 HB1 LYS 81 -8.780 -19.960 0.050 633 1HG LYS 81 HG2 LYS 81 -6.825 -20.576 0.945 634 2HG LYS 81 HG1 LYS 81 -6.115 -18.971 0.751 635 1HD LYS 81 HD2 LYS 81 -7.619 -18.273 2.702 636 2HD LYS 81 HD1 LYS 81 -7.837 -20.005 2.986 637 1HE LYS 81 HE2 LYS 81 -5.273 -18.424 3.048 638 2HE LYS 81 HE1 LYS 81 -6.053 -19.273 4.385 639 1HZ LYS 81 HZ1 LYS 81 -4.281 -20.628 3.670 640 2HZ LYS 81 HZ2 LYS 81 -4.684 -20.457 2.037 641 3HZ LYS 81 HZ3 LYS 81 -5.681 -21.362 3.065 642 H ASN 82 HN ASN 82 -5.905 -18.927 -2.613 643 HA ASN 82 HA ASN 82 -5.571 -20.290 -4.428 644 1HB ASN 82 HB2 ASN 82 -7.729 -22.065 -3.279 645 2HB ASN 82 HB1 ASN 82 -6.363 -22.531 -4.283 646 1HD2 ASN 82 HD21 ASN 82 -4.227 -21.521 -3.162 647 2HD2 ASN 82 HD22 ASN 82 -4.025 -22.052 -1.529 648 H GLY 83 HN GLY 83 -7.215 -18.153 -4.903 649 1HA GLY 83 HA2 GLY 83 -8.557 -17.383 -6.600 650 2HA GLY 83 HA1 GLY 83 -8.590 -19.015 -7.231 651 H GLU 84 HN GLU 84 -9.665 -19.075 -4.054 652 HA GLU 84 HA GLU 84 -12.465 -18.770 -4.920 653 1HB GLU 84 HB2 GLU 84 -11.400 -21.166 -4.470 654 2HB GLU 84 HB1 GLU 84 -11.783 -20.750 -2.804 655 1HG GLU 84 HG2 GLU 84 -14.093 -20.536 -3.299 656 2HG GLU 84 HG1 GLU 84 -13.795 -20.645 -5.033 657 H VAL 85 HN VAL 85 -13.897 -17.872 -3.488 658 HA VAL 85 HA VAL 85 -12.817 -16.157 -1.478 659 HB VAL 85 HB VAL 85 -15.730 -16.866 -1.844 660 1HG1 VAL 85 HG11 VAL 85 -14.402 -14.410 -0.705 661 2HG1 VAL 85 HG12 VAL 85 -15.155 -15.697 0.235 662 3HG1 VAL 85 HG13 VAL 85 -16.136 -14.699 -0.831 663 1HG2 VAL 85 HG21 VAL 85 -14.891 -14.356 -3.022 664 2HG2 VAL 85 HG22 VAL 85 -15.829 -15.674 -3.724 665 3HG2 VAL 85 HG23 VAL 85 -14.066 -15.730 -3.761 666 H ALA 86 HN ALA 86 -12.269 -16.753 0.553 667 HA ALA 86 HA ALA 86 -13.662 -19.058 1.717 668 1HB ALA 86 HB1 ALA 86 -11.623 -19.405 3.096 669 2HB ALA 86 HB2 ALA 86 -10.831 -18.158 2.138 670 3HB ALA 86 HB3 ALA 86 -11.390 -19.643 1.367 671 H ALA 87 HN ALA 87 -13.998 -15.976 1.891 672 HA ALA 87 HA ALA 87 -15.135 -15.941 4.459 673 1HB ALA 87 HB1 ALA 87 -13.482 -15.382 5.825 674 2HB ALA 87 HB2 ALA 87 -13.128 -13.958 4.844 675 3HB ALA 87 HB3 ALA 87 -12.346 -15.496 4.480 676 H THR 88 HN THR 88 -16.525 -14.208 4.685 677 HA THR 88 HA THR 88 -16.200 -11.950 2.840 678 HB THR 88 HB THR 88 -17.823 -13.192 1.677 679 HG1 THR 88 HG1 THR 88 -18.527 -11.076 1.996 680 1HG2 THR 88 HG21 THR 88 -19.988 -13.718 3.271 681 2HG2 THR 88 HG22 THR 88 -18.622 -14.141 4.303 682 3HG2 THR 88 HG23 THR 88 -18.797 -14.896 2.722 683 H LYS 89 HN LYS 89 -16.576 -9.987 3.749 684 HA LYS 89 HA LYS 89 -18.034 -9.885 6.286 685 1HB LYS 89 HB2 LYS 89 -15.240 -9.584 6.024 686 2HB LYS 89 HB1 LYS 89 -15.885 -7.967 6.282 687 1HG LYS 89 HG2 LYS 89 -16.642 -10.281 8.031 688 2HG LYS 89 HG1 LYS 89 -15.208 -9.292 8.338 689 1HD LYS 89 HD2 LYS 89 -16.989 -7.336 8.058 690 2HD LYS 89 HD1 LYS 89 -18.089 -8.608 8.592 691 1HE LYS 89 HE2 LYS 89 -16.207 -8.960 10.414 692 2HE LYS 89 HE1 LYS 89 -15.867 -7.270 10.039 693 1HZ LYS 89 HZ1 LYS 89 -18.641 -8.057 10.559 694 2HZ LYS 89 HZ2 LYS 89 -17.864 -6.585 10.858 695 3HZ LYS 89 HZ3 LYS 89 -17.589 -7.907 11.875 696 H VAL 90 HN VAL 90 -19.308 -8.082 6.525 697 HA VAL 90 HA VAL 90 -19.232 -6.128 4.320 698 HB VAL 90 HB VAL 90 -21.736 -7.033 5.736 699 1HG1 VAL 90 HG11 VAL 90 -22.284 -4.984 4.877 700 2HG1 VAL 90 HG12 VAL 90 -22.651 -6.009 3.493 701 3HG1 VAL 90 HG13 VAL 90 -21.134 -5.108 3.547 702 1HG2 VAL 90 HG21 VAL 90 -21.190 -8.948 4.571 703 2HG2 VAL 90 HG22 VAL 90 -20.378 -8.063 3.281 704 3HG2 VAL 90 HG23 VAL 90 -22.142 -8.073 3.371 705 H GLY 91 HN GLY 91 -19.682 -3.944 4.781 706 1HA GLY 91 HA2 GLY 91 -20.053 -2.090 6.099 707 2HA GLY 91 HA1 GLY 91 -20.370 -3.148 7.458 708 H ALA 92 HN ALA 92 -18.948 -0.807 7.703 709 HA ALA 92 HA ALA 92 -16.143 -1.196 7.562 710 1HB ALA 92 HB1 ALA 92 -17.605 0.992 7.780 711 2HB ALA 92 HB2 ALA 92 -15.942 0.927 8.364 712 3HB ALA 92 HB3 ALA 92 -17.281 0.752 9.497 713 H LEU 93 HN LEU 93 -14.739 -2.006 8.955 714 HA LEU 93 HA LEU 93 -15.732 -2.972 11.547 715 1HB LEU 93 HB2 LEU 93 -13.575 -4.514 11.171 716 2HB LEU 93 HB1 LEU 93 -15.176 -4.966 10.619 717 HG LEU 93 HG LEU 93 -13.254 -3.520 8.815 718 1HD1 LEU 93 HD11 LEU 93 -12.642 -5.739 7.916 719 2HD1 LEU 93 HD12 LEU 93 -13.501 -6.492 9.258 720 3HD1 LEU 93 HD13 LEU 93 -12.084 -5.489 9.570 721 1HD2 LEU 93 HD21 LEU 93 -14.696 -5.089 7.225 722 2HD2 LEU 93 HD22 LEU 93 -15.244 -3.489 7.717 723 3HD2 LEU 93 HD23 LEU 93 -15.852 -4.921 8.544 724 H SER 94 HN SER 94 -13.507 -3.546 12.892 725 HA SER 94 HA SER 94 -12.062 -0.980 13.001 726 1HB SER 94 HB2 SER 94 -13.515 -2.019 15.004 727 2HB SER 94 HB1 SER 94 -11.981 -2.836 15.327 728 HG SER 94 HG SER 94 -11.733 -0.980 16.385 729 H LYS 95 HN LYS 95 -9.782 -1.118 13.775 730 HA LYS 95 HA LYS 95 -8.204 -2.703 12.155 731 1HB LYS 95 HB2 LYS 95 -7.431 -0.668 13.332 732 2HB LYS 95 HB1 LYS 95 -7.426 -1.570 14.842 733 1HG LYS 95 HG2 LYS 95 -5.411 -2.392 14.426 734 2HG LYS 95 HG1 LYS 95 -5.919 -2.967 12.835 735 1HD LYS 95 HD2 LYS 95 -5.464 -0.796 11.868 736 2HD LYS 95 HD1 LYS 95 -5.072 -0.138 13.460 737 1HE LYS 95 HE2 LYS 95 -3.581 -2.550 12.652 738 2HE LYS 95 HE1 LYS 95 -3.228 -1.083 11.734 739 1HZ LYS 95 HZ1 LYS 95 -1.745 -1.111 13.544 740 2HZ LYS 95 HZ2 LYS 95 -2.958 -1.514 14.653 741 3HZ LYS 95 HZ3 LYS 95 -2.929 0.027 13.956 742 H GLY 96 HN GLY 96 -9.346 -3.375 15.440 743 1HA GLY 96 HA2 GLY 96 -7.769 -5.758 15.680 744 2HA GLY 96 HA1 GLY 96 -9.037 -5.236 16.778 745 H GLN 97 HN GLN 97 -10.987 -5.013 14.544 746 HA GLN 97 HA GLN 97 -11.870 -7.748 14.604 747 1HB GLN 97 HB2 GLN 97 -13.080 -5.491 13.011 748 2HB GLN 97 HB1 GLN 97 -13.854 -6.984 13.514 749 1HG GLN 97 HG2 GLN 97 -13.661 -6.286 15.857 750 2HG GLN 97 HG1 GLN 97 -12.932 -4.769 15.330 751 1HE2 GLN 97 HE21 GLN 97 -15.851 -6.722 15.234 752 2HE2 GLN 97 HE22 GLN 97 -16.945 -5.410 14.979 753 H LEU 98 HN LEU 98 -10.365 -5.612 12.278 754 HA LEU 98 HA LEU 98 -10.764 -7.327 10.024 755 1HB LEU 98 HB2 LEU 98 -9.905 -4.750 10.304 756 2HB LEU 98 HB1 LEU 98 -8.398 -5.580 9.964 757 HG LEU 98 HG LEU 98 -10.662 -6.249 8.185 758 1HD1 LEU 98 HD11 LEU 98 -11.020 -3.867 8.409 759 2HD1 LEU 98 HD12 LEU 98 -10.332 -4.229 6.826 760 3HD1 LEU 98 HD13 LEU 98 -9.312 -3.558 8.096 761 1HD2 LEU 98 HD21 LEU 98 -8.539 -5.642 6.629 762 2HD2 LEU 98 HD22 LEU 98 -8.824 -7.230 7.337 763 3HD2 LEU 98 HD23 LEU 98 -7.727 -6.098 8.122 764 H LYS 99 HN LYS 99 -7.996 -6.676 12.143 765 HA LYS 99 HA LYS 99 -6.214 -8.528 11.054 766 1HB LYS 99 HB2 LYS 99 -5.971 -6.644 12.893 767 2HB LYS 99 HB1 LYS 99 -6.214 -7.996 13.994 768 1HG LYS 99 HG2 LYS 99 -4.322 -9.151 12.827 769 2HG LYS 99 HG1 LYS 99 -4.023 -7.643 11.969 770 1HD LYS 99 HD2 LYS 99 -2.567 -7.790 13.902 771 2HD LYS 99 HD1 LYS 99 -3.743 -6.496 14.134 772 1HE LYS 99 HE2 LYS 99 -4.635 -9.093 15.138 773 2HE LYS 99 HE1 LYS 99 -3.186 -8.486 15.936 774 1HZ LYS 99 HZ1 LYS 99 -5.906 -7.430 15.964 775 2HZ LYS 99 HZ2 LYS 99 -4.649 -6.297 15.974 776 3HZ LYS 99 HZ3 LYS 99 -4.743 -7.460 17.196 777 H GLU 100 HN GLU 100 -8.630 -8.918 13.627 778 HA GLU 100 HA GLU 100 -7.899 -11.543 14.347 779 1HB GLU 100 HB2 GLU 100 -9.777 -11.586 15.704 780 2HB GLU 100 HB1 GLU 100 -9.458 -9.868 15.578 781 1HG GLU 100 HG2 GLU 100 -11.633 -9.718 15.137 782 2HG GLU 100 HG1 GLU 100 -11.187 -10.236 13.516 783 H PHE 101 HN PHE 101 -10.064 -10.283 11.871 784 HA PHE 101 HA PHE 101 -11.220 -12.742 11.089 785 1HB PHE 101 HB2 PHE 101 -12.004 -10.398 10.482 786 2HB PHE 101 HB1 PHE 101 -10.703 -10.358 9.303 787 HD1 PHE 101 HD1 PHE 101 -13.046 -13.091 10.247 788 HD2 PHE 101 HD2 PHE 101 -11.672 -10.430 7.227 789 HE1 PHE 101 HE1 PHE 101 -14.503 -14.206 8.609 790 HE2 PHE 101 HE2 PHE 101 -13.126 -11.537 5.582 791 HZ PHE 101 HZ PHE 101 -14.545 -13.428 6.272 792 H LEU 102 HN LEU 102 -8.368 -10.947 10.055 793 HA LEU 102 HA LEU 102 -7.623 -12.654 7.938 794 1HB LEU 102 HB2 LEU 102 -6.501 -10.397 9.396 795 2HB LEU 102 HB1 LEU 102 -5.268 -11.555 8.936 796 HG LEU 102 HG LEU 102 -7.179 -10.117 7.097 797 1HD1 LEU 102 HD11 LEU 102 -5.558 -8.575 7.399 798 2HD1 LEU 102 HD12 LEU 102 -4.753 -9.545 6.165 799 3HD1 LEU 102 HD13 LEU 102 -4.346 -9.771 7.868 800 1HD2 LEU 102 HD21 LEU 102 -5.656 -11.268 5.338 801 2HD2 LEU 102 HD22 LEU 102 -6.997 -12.168 6.046 802 3HD2 LEU 102 HD23 LEU 102 -5.354 -12.439 6.622 803 H ASP 103 HN ASP 103 -6.144 -12.331 11.177 804 HA ASP 103 HA ASP 103 -4.499 -14.529 11.093 805 1HB ASP 103 HB2 ASP 103 -5.186 -12.708 13.029 806 2HB ASP 103 HB1 ASP 103 -5.825 -14.205 13.700 807 H ALA 104 HN ALA 104 -7.960 -14.446 11.671 808 HA ALA 104 HA ALA 104 -8.200 -17.168 12.511 809 1HB ALA 104 HB1 ALA 104 -10.222 -15.123 11.611 810 2HB ALA 104 HB2 ALA 104 -9.876 -15.669 13.252 811 3HB ALA 104 HB3 ALA 104 -10.661 -16.759 12.111 812 H ASN 105 HN ASN 105 -7.930 -15.660 9.411 813 HA ASN 105 HA ASN 105 -8.915 -18.111 8.106 814 1HB ASN 105 HB2 ASN 105 -9.650 -15.554 7.603 815 2HB ASN 105 HB1 ASN 105 -8.330 -15.732 6.447 816 1HD2 ASN 105 HD21 ASN 105 -9.846 -15.557 4.746 817 2HD2 ASN 105 HD22 ASN 105 -10.850 -16.890 4.309 818 H LEU 106 HN LEU 106 -6.213 -15.863 8.247 819 HA LEU 106 HA LEU 106 -4.605 -16.942 6.219 820 1HB LEU 106 HB2 LEU 106 -4.368 -14.758 7.542 821 2HB LEU 106 HB1 LEU 106 -3.561 -15.718 8.761 822 HG LEU 106 HG LEU 106 -2.643 -15.382 5.903 823 1HD1 LEU 106 HD11 LEU 106 -2.346 -13.325 7.084 824 2HD1 LEU 106 HD12 LEU 106 -0.778 -14.122 6.991 825 3HD1 LEU 106 HD13 LEU 106 -1.698 -14.165 8.492 826 1HD2 LEU 106 HD21 LEU 106 -1.630 -16.993 8.212 827 2HD2 LEU 106 HD22 LEU 106 -0.503 -16.356 7.013 828 3HD2 LEU 106 HD23 LEU 106 -1.795 -17.449 6.515 829 H VAL 107 HN VAL 107 -4.107 -19.045 6.114 830 HA VAL 107 HA VAL 107 -2.493 -20.209 8.202 831 HB VAL 107 HB VAL 107 -3.919 -22.262 8.396 832 1HG1 VAL 107 HG11 VAL 107 -5.273 -19.756 9.380 833 2HG1 VAL 107 HG12 VAL 107 -3.824 -20.451 10.111 834 3HG1 VAL 107 HG13 VAL 107 -5.331 -21.362 10.107 835 1HG2 VAL 107 HG21 VAL 107 -5.287 -21.373 6.293 836 2HG2 VAL 107 HG22 VAL 107 -6.297 -20.696 7.570 837 3HG2 VAL 107 HG23 VAL 107 -6.007 -22.432 7.505 Start of MODEL 6 1 1H MET 1 HT1 MET 1 3.584 -3.091 -3.672 2 2H MET 1 HT2 MET 1 4.700 -3.448 -2.416 3 3H MET 1 HT3 MET 1 3.673 -2.077 -2.293 4 HA MET 1 HA MET 1 2.864 -4.904 -2.283 5 1HB MET 1 HB2 MET 1 3.447 -2.832 -0.252 6 2HB MET 1 HB1 MET 1 2.007 -3.801 0.035 7 1HG MET 1 HG2 MET 1 3.471 -5.133 1.093 8 2HG MET 1 HG1 MET 1 3.746 -5.756 -0.531 9 1HE MET 1 HE1 MET 1 5.828 -6.527 1.301 10 2HE MET 1 HE2 MET 1 5.672 -5.209 2.466 11 3HE MET 1 HE3 MET 1 7.198 -5.457 1.613 12 H VAL 2 HN VAL 2 0.641 -5.279 -2.153 13 HA VAL 2 HA VAL 2 -1.565 -4.967 -2.597 14 HB VAL 2 HB VAL 2 -1.078 -2.076 -1.863 15 1HG1 VAL 2 HG11 VAL 2 -3.354 -3.228 -2.957 16 2HG1 VAL 2 HG12 VAL 2 -3.257 -1.686 -2.108 17 3HG1 VAL 2 HG13 VAL 2 -3.691 -3.149 -1.227 18 1HG2 VAL 2 HG21 VAL 2 -2.291 -3.142 0.301 19 2HG2 VAL 2 HG22 VAL 2 -0.546 -2.963 0.136 20 3HG2 VAL 2 HG23 VAL 2 -1.313 -4.510 -0.228 21 H LYS 3 HN LYS 3 -2.880 -4.489 -4.336 22 HA LYS 3 HA LYS 3 -1.911 -2.579 -6.314 23 1HB LYS 3 HB2 LYS 3 -2.393 -4.395 -8.096 24 2HB LYS 3 HB1 LYS 3 -0.858 -4.436 -7.245 25 1HG LYS 3 HG2 LYS 3 -1.800 -6.167 -5.732 26 2HG LYS 3 HG1 LYS 3 -3.270 -6.168 -6.717 27 1HD LYS 3 HD2 LYS 3 -2.133 -7.884 -7.717 28 2HD LYS 3 HD1 LYS 3 -1.534 -6.535 -8.677 29 1HE LYS 3 HE2 LYS 3 0.369 -7.799 -8.096 30 2HE LYS 3 HE1 LYS 3 0.381 -6.397 -7.024 31 1HZ LYS 3 HZ1 LYS 3 -0.506 -9.142 -6.349 32 2HZ LYS 3 HZ2 LYS 3 -0.687 -7.808 -5.327 33 3HZ LYS 3 HZ3 LYS 3 0.858 -8.340 -5.754 34 H GLN 4 HN GLN 4 -3.541 -1.387 -6.940 35 HA GLN 4 HA GLN 4 -6.218 -2.067 -6.230 36 1HB GLN 4 HB2 GLN 4 -5.441 0.241 -6.167 37 2HB GLN 4 HB1 GLN 4 -5.145 0.208 -7.904 38 1HG GLN 4 HG2 GLN 4 -7.290 0.591 -8.394 39 2HG GLN 4 HG1 GLN 4 -7.870 -0.532 -7.164 40 1HE2 GLN 4 HE21 GLN 4 -9.447 0.759 -6.351 41 2HE2 GLN 4 HE22 GLN 4 -9.141 2.234 -5.503 42 H ILE 5 HN ILE 5 -7.724 -3.048 -7.427 43 HA ILE 5 HA ILE 5 -7.022 -3.745 -10.190 44 HB ILE 5 HB ILE 5 -8.589 -5.115 -8.074 45 1HG1 ILE 5 HG12 ILE 5 -7.416 -7.019 -8.773 46 2HG1 ILE 5 HG11 ILE 5 -7.170 -6.391 -10.397 47 1HG2 ILE 5 HG21 ILE 5 -9.747 -6.547 -9.781 48 2HG2 ILE 5 HG22 ILE 5 -9.370 -5.308 -10.975 49 3HG2 ILE 5 HG23 ILE 5 -10.401 -4.921 -9.599 50 1HD1 ILE 5 HD11 ILE 5 -5.877 -4.873 -8.229 51 2HD1 ILE 5 HD12 ILE 5 -5.280 -5.313 -9.829 52 3HD1 ILE 5 HD13 ILE 5 -5.259 -6.499 -8.522 53 H GLU 6 HN GLU 6 -7.761 -2.374 -11.637 54 HA GLU 6 HA GLU 6 -10.333 -1.053 -11.213 55 1HB GLU 6 HB2 GLU 6 -7.865 -0.383 -12.720 56 2HB GLU 6 HB1 GLU 6 -9.385 0.221 -13.353 57 1HG GLU 6 HG2 GLU 6 -9.827 1.230 -11.118 58 2HG GLU 6 HG1 GLU 6 -8.201 0.746 -10.641 59 H SER 7 HN SER 7 -9.830 -3.876 -12.284 60 HA SER 7 HA SER 7 -11.829 -3.712 -14.349 61 1HB SER 7 HB2 SER 7 -9.337 -3.470 -15.311 62 2HB SER 7 HB1 SER 7 -9.440 -5.229 -15.244 63 HG SER 7 HG SER 7 -10.827 -5.210 -16.834 64 H LYS 8 HN LYS 8 -12.588 -5.852 -15.045 65 HA LYS 8 HA LYS 8 -12.719 -7.614 -12.802 66 1HB LYS 8 HB2 LYS 8 -14.655 -7.280 -14.270 67 2HB LYS 8 HB1 LYS 8 -13.769 -7.990 -15.611 68 1HG LYS 8 HG2 LYS 8 -13.637 -9.859 -13.523 69 2HG LYS 8 HG1 LYS 8 -15.303 -9.275 -13.557 70 1HD LYS 8 HD2 LYS 8 -15.535 -10.888 -15.124 71 2HD LYS 8 HD1 LYS 8 -14.884 -9.638 -16.193 72 1HE LYS 8 HE2 LYS 8 -12.613 -10.782 -15.177 73 2HE LYS 8 HE1 LYS 8 -13.697 -12.161 -15.301 74 1HZ LYS 8 HZ1 LYS 8 -13.912 -11.883 -17.586 75 2HZ LYS 8 HZ2 LYS 8 -12.270 -11.583 -17.309 76 3HZ LYS 8 HZ3 LYS 8 -13.334 -10.289 -17.559 77 H THR 9 HN THR 9 -10.806 -7.461 -15.703 78 HA THR 9 HA THR 9 -9.987 -10.222 -15.573 79 HB THR 9 HB THR 9 -8.480 -8.105 -17.070 80 HG1 THR 9 HG1 THR 9 -10.090 -7.755 -18.358 81 1HG2 THR 9 HG21 THR 9 -8.232 -9.829 -18.752 82 2HG2 THR 9 HG22 THR 9 -9.211 -10.934 -17.789 83 3HG2 THR 9 HG23 THR 9 -7.642 -10.393 -17.188 84 H ALA 10 HN ALA 10 -8.844 -7.129 -14.398 85 HA ALA 10 HA ALA 10 -6.213 -7.919 -13.732 86 1HB ALA 10 HB1 ALA 10 -7.905 -5.744 -12.498 87 2HB ALA 10 HB2 ALA 10 -6.828 -5.566 -13.882 88 3HB ALA 10 HB3 ALA 10 -6.166 -5.934 -12.291 89 H PHE 11 HN PHE 11 -9.277 -8.064 -11.944 90 HA PHE 11 HA PHE 11 -8.252 -8.746 -9.418 91 1HB PHE 11 HB2 PHE 11 -10.711 -8.252 -10.124 92 2HB PHE 11 HB1 PHE 11 -10.790 -9.974 -10.496 93 HD1 PHE 11 HD1 PHE 11 -9.079 -8.223 -7.691 94 HD2 PHE 11 HD2 PHE 11 -12.161 -10.894 -8.898 95 HE1 PHE 11 HE1 PHE 11 -9.551 -8.740 -5.333 96 HE2 PHE 11 HE2 PHE 11 -12.639 -11.415 -6.544 97 HZ PHE 11 HZ PHE 11 -11.329 -10.338 -4.759 98 H GLN 12 HN GLN 12 -9.013 -10.731 -12.224 99 HA GLN 12 HA GLN 12 -8.457 -13.246 -11.027 100 1HB GLN 12 HB2 GLN 12 -8.240 -12.476 -13.943 101 2HB GLN 12 HB1 GLN 12 -8.407 -14.104 -13.300 102 1HG GLN 12 HG2 GLN 12 -10.455 -11.904 -13.150 103 2HG GLN 12 HG1 GLN 12 -10.508 -13.318 -14.200 104 1HE2 GLN 12 HE21 GLN 12 -10.644 -12.230 -10.870 105 2HE2 GLN 12 HE22 GLN 12 -11.465 -13.619 -10.252 106 H GLU 13 HN GLU 13 -6.537 -10.987 -12.972 107 HA GLU 13 HA GLU 13 -4.203 -12.487 -13.183 108 1HB GLU 13 HB2 GLU 13 -4.873 -9.598 -13.350 109 2HB GLU 13 HB1 GLU 13 -3.173 -10.034 -13.197 110 1HG GLU 13 HG2 GLU 13 -3.313 -11.404 -15.177 111 2HG GLU 13 HG1 GLU 13 -5.040 -11.078 -15.310 112 H ALA 14 HN ALA 14 -5.080 -10.049 -10.732 113 HA ALA 14 HA ALA 14 -2.683 -10.241 -9.276 114 1HB ALA 14 HB1 ALA 14 -4.322 -9.393 -7.383 115 2HB ALA 14 HB2 ALA 14 -5.402 -9.160 -8.762 116 3HB ALA 14 HB3 ALA 14 -3.836 -8.352 -8.722 117 H LEU 15 HN LEU 15 -5.644 -12.115 -9.214 118 HA LEU 15 HA LEU 15 -5.164 -13.430 -6.743 119 1HB LEU 15 HB2 LEU 15 -6.945 -13.914 -9.096 120 2HB LEU 15 HB1 LEU 15 -6.731 -15.199 -7.923 121 HG LEU 15 HG LEU 15 -7.604 -12.434 -7.120 122 1HD1 LEU 15 HD11 LEU 15 -9.527 -14.692 -7.463 123 2HD1 LEU 15 HD12 LEU 15 -9.110 -13.678 -8.839 124 3HD1 LEU 15 HD13 LEU 15 -9.833 -12.958 -7.401 125 1HD2 LEU 15 HD21 LEU 15 -8.253 -13.440 -5.094 126 2HD2 LEU 15 HD22 LEU 15 -6.654 -14.088 -5.455 127 3HD2 LEU 15 HD23 LEU 15 -8.091 -15.068 -5.757 128 H ASP 16 HN ASP 16 -4.280 -14.084 -10.083 129 HA ASP 16 HA ASP 16 -3.307 -16.702 -9.770 130 1HB ASP 16 HB2 ASP 16 -3.084 -14.556 -11.782 131 2HB ASP 16 HB1 ASP 16 -1.721 -15.669 -11.752 132 H ALA 17 HN ALA 17 -1.894 -13.566 -9.138 133 HA ALA 17 HA ALA 17 0.766 -14.543 -8.693 134 1HB ALA 17 HB1 ALA 17 1.360 -12.345 -8.230 135 2HB ALA 17 HB2 ALA 17 -0.261 -11.925 -7.671 136 3HB ALA 17 HB3 ALA 17 0.042 -12.173 -9.391 137 H ALA 18 HN ALA 18 -2.113 -14.240 -6.832 138 HA ALA 18 HA ALA 18 -0.960 -14.083 -4.252 139 1HB ALA 18 HB1 ALA 18 -3.659 -15.186 -5.032 140 2HB ALA 18 HB2 ALA 18 -3.297 -13.486 -4.746 141 3HB ALA 18 HB3 ALA 18 -3.164 -14.648 -3.427 142 H GLY 19 HN GLY 19 -1.858 -16.853 -6.351 143 1HA GLY 19 HA2 GLY 19 -1.318 -19.051 -6.172 144 2HA GLY 19 HA1 GLY 19 0.021 -18.540 -5.150 145 H ASP 20 HN ASP 20 0.036 -19.488 -3.272 146 HA ASP 20 HA ASP 20 -2.445 -20.530 -2.154 147 1HB ASP 20 HB2 ASP 20 -0.992 -21.814 -0.664 148 2HB ASP 20 HB1 ASP 20 -0.524 -22.043 -2.344 149 H LYS 21 HN LYS 21 -0.924 -17.638 -1.965 150 HA LYS 21 HA LYS 21 -0.921 -17.258 0.877 151 1HB LYS 21 HB2 LYS 21 -0.699 -15.310 -1.424 152 2HB LYS 21 HB1 LYS 21 -0.612 -14.837 0.264 153 1HG LYS 21 HG2 LYS 21 1.412 -15.986 0.595 154 2HG LYS 21 HG1 LYS 21 1.245 -16.874 -0.920 155 1HD LYS 21 HD2 LYS 21 1.561 -14.825 -2.186 156 2HD LYS 21 HD1 LYS 21 1.635 -13.891 -0.690 157 1HE LYS 21 HE2 LYS 21 3.540 -15.924 -0.408 158 2HE LYS 21 HE1 LYS 21 3.724 -15.325 -2.055 159 1HZ LYS 21 HZ1 LYS 21 3.739 -13.039 -1.036 160 2HZ LYS 21 HZ2 LYS 21 5.099 -13.993 -0.723 161 3HZ LYS 21 HZ3 LYS 21 3.915 -13.793 0.468 162 H LEU 22 HN LEU 22 -2.402 -16.043 2.074 163 HA LEU 22 HA LEU 22 -5.120 -16.224 1.184 164 1HB LEU 22 HB2 LEU 22 -4.640 -16.619 3.511 165 2HB LEU 22 HB1 LEU 22 -3.835 -15.070 3.666 166 HG LEU 22 HG LEU 22 -5.878 -13.884 3.637 167 1HD1 LEU 22 HD11 LEU 22 -6.853 -16.226 2.209 168 2HD1 LEU 22 HD12 LEU 22 -7.396 -14.550 2.153 169 3HD1 LEU 22 HD13 LEU 22 -7.976 -15.623 3.428 170 1HD2 LEU 22 HD21 LEU 22 -5.281 -15.510 5.629 171 2HD2 LEU 22 HD22 LEU 22 -6.810 -16.253 5.157 172 3HD2 LEU 22 HD23 LEU 22 -6.763 -14.553 5.622 173 H VAL 23 HN VAL 23 -6.339 -14.653 0.288 174 HA VAL 23 HA VAL 23 -5.048 -12.044 -0.075 175 HB VAL 23 HB VAL 23 -7.256 -13.116 -1.797 176 1HG1 VAL 23 HG11 VAL 23 -7.142 -11.037 -2.585 177 2HG1 VAL 23 HG12 VAL 23 -5.584 -11.486 -3.276 178 3HG1 VAL 23 HG13 VAL 23 -5.656 -10.699 -1.699 179 1HG2 VAL 23 HG21 VAL 23 -5.713 -14.757 -2.243 180 2HG2 VAL 23 HG22 VAL 23 -4.337 -13.716 -1.876 181 3HG2 VAL 23 HG23 VAL 23 -5.208 -13.522 -3.399 182 H VAL 24 HN VAL 24 -5.765 -10.615 1.289 183 HA VAL 24 HA VAL 24 -8.625 -10.552 1.937 184 HB VAL 24 HB VAL 24 -7.129 -10.627 3.887 185 1HG1 VAL 24 HG11 VAL 24 -5.492 -8.980 2.360 186 2HG1 VAL 24 HG12 VAL 24 -5.226 -9.499 4.025 187 3HG1 VAL 24 HG13 VAL 24 -6.033 -7.965 3.698 188 1HG2 VAL 24 HG21 VAL 24 -9.288 -9.233 3.815 189 2HG2 VAL 24 HG22 VAL 24 -8.214 -7.833 3.794 190 3HG2 VAL 24 HG23 VAL 24 -8.162 -8.965 5.150 191 H VAL 25 HN VAL 25 -9.755 -9.231 0.712 192 HA VAL 25 HA VAL 25 -8.460 -6.780 -0.287 193 HB VAL 25 HB VAL 25 -10.141 -7.020 -2.232 194 1HG1 VAL 25 HG11 VAL 25 -7.608 -7.475 -2.205 195 2HG1 VAL 25 HG12 VAL 25 -8.568 -8.139 -3.531 196 3HG1 VAL 25 HG13 VAL 25 -8.070 -9.174 -2.197 197 1HG2 VAL 25 HG21 VAL 25 -10.012 -9.924 -1.510 198 2HG2 VAL 25 HG22 VAL 25 -10.992 -9.139 -2.748 199 3HG2 VAL 25 HG23 VAL 25 -11.371 -8.905 -1.041 200 H ASP 26 HN ASP 26 -9.962 -5.021 -0.821 201 HA ASP 26 HA ASP 26 -12.343 -5.013 0.913 202 1HB ASP 26 HB2 ASP 26 -10.432 -3.712 1.906 203 2HB ASP 26 HB1 ASP 26 -10.530 -2.625 0.527 204 H PHE 27 HN PHE 27 -14.163 -4.334 0.026 205 HA PHE 27 HA PHE 27 -14.088 -3.337 -2.737 206 1HB PHE 27 HB2 PHE 27 -15.993 -4.921 -1.128 207 2HB PHE 27 HB1 PHE 27 -16.731 -3.724 -2.189 208 HD1 PHE 27 HD1 PHE 27 -14.428 -6.611 -2.114 209 HD2 PHE 27 HD2 PHE 27 -16.890 -4.094 -4.509 210 HE1 PHE 27 HE1 PHE 27 -14.112 -8.127 -4.026 211 HE2 PHE 27 HE2 PHE 27 -16.582 -5.611 -6.424 212 HZ PHE 27 HZ PHE 27 -15.189 -7.630 -6.185 213 H SER 28 HN SER 28 -13.951 -1.158 -2.779 214 HA SER 28 HA SER 28 -15.826 0.371 -1.103 215 1HB SER 28 HB2 SER 28 -12.909 1.004 -1.588 216 2HB SER 28 HB1 SER 28 -14.053 2.117 -0.844 217 HG SER 28 HG SER 28 -14.427 0.304 0.689 218 H ALA 29 HN ALA 29 -16.634 2.280 -1.969 219 HA ALA 29 HA ALA 29 -16.362 2.516 -4.876 220 1HB ALA 29 HB1 ALA 29 -18.447 3.585 -4.905 221 2HB ALA 29 HB2 ALA 29 -18.364 4.001 -3.193 222 3HB ALA 29 HB3 ALA 29 -18.639 2.331 -3.681 223 H THR 30 HN THR 30 -16.172 4.729 -5.781 224 HA THR 30 HA THR 30 -14.132 6.234 -4.443 225 HB THR 30 HB THR 30 -15.749 7.271 -6.756 226 HG1 THR 30 HG1 THR 30 -13.740 5.275 -6.861 227 1HG2 THR 30 HG21 THR 30 -12.783 7.360 -6.557 228 2HG2 THR 30 HG22 THR 30 -13.749 8.480 -5.598 229 3HG2 THR 30 HG23 THR 30 -13.897 8.470 -7.356 230 H TRP 31 HN TRP 31 -17.553 6.499 -4.989 231 HA TRP 31 HA TRP 31 -17.812 9.086 -3.694 232 1HB TRP 31 HB2 TRP 31 -20.182 8.875 -4.226 233 2HB TRP 31 HB1 TRP 31 -19.217 8.445 -5.635 234 HD1 TRP 31 HD1 TRP 31 -19.143 5.824 -6.315 235 HE1 TRP 31 HE1 TRP 31 -20.757 3.878 -5.783 236 HE3 TRP 31 HE3 TRP 31 -21.806 7.972 -2.516 237 HZ2 TRP 31 HZ2 TRP 31 -22.874 3.344 -4.025 238 HZ3 TRP 31 HZ3 TRP 31 -23.614 6.674 -1.469 239 HH2 TRP 31 HH2 TRP 31 -24.137 4.406 -2.208 240 H CYS 32 HN CYS 32 -17.058 6.366 -2.256 241 HA CYS 32 HA CYS 32 -19.196 6.294 -0.283 242 1HB CYS 32 HB2 CYS 32 -18.145 4.183 -1.167 243 2HB CYS 32 HB1 CYS 32 -16.671 4.639 -0.325 244 H GLY 33 HN GLY 33 -18.762 6.437 2.001 245 1HA GLY 33 HA2 GLY 33 -16.682 8.445 2.568 246 2HA GLY 33 HA1 GLY 33 -18.156 8.214 3.503 247 HA PRO 34 HA PRO 34 -16.185 5.625 6.483 248 1HB PRO 34 HB2 PRO 34 -17.956 3.351 5.756 249 2HB PRO 34 HB1 PRO 34 -17.679 4.102 7.333 250 1HG PRO 34 HG2 PRO 34 -19.936 4.543 5.994 251 2HG PRO 34 HG1 PRO 34 -19.149 5.848 6.907 252 1HD PRO 34 HD2 PRO 34 -19.190 5.355 3.960 253 2HD PRO 34 HD1 PRO 34 -19.245 6.891 4.846 254 H CYS 35 HN CYS 35 -16.661 4.301 3.282 255 HA CYS 35 HA CYS 35 -15.084 2.006 3.430 256 1HB CYS 35 HB2 CYS 35 -15.495 3.885 1.091 257 2HB CYS 35 HB1 CYS 35 -14.845 2.252 0.973 258 H LYS 36 HN LYS 36 -14.171 5.370 2.798 259 HA LYS 36 HA LYS 36 -11.456 4.841 2.204 260 1HB LYS 36 HB2 LYS 36 -12.990 7.290 2.995 261 2HB LYS 36 HB1 LYS 36 -11.232 7.338 2.937 262 1HG LYS 36 HG2 LYS 36 -11.169 7.028 0.649 263 2HG LYS 36 HG1 LYS 36 -12.781 6.315 0.599 264 1HD LYS 36 HD2 LYS 36 -12.845 8.541 -0.351 265 2HD LYS 36 HD1 LYS 36 -13.742 8.516 1.171 266 1HE LYS 36 HE2 LYS 36 -12.530 10.417 1.508 267 2HE LYS 36 HE1 LYS 36 -11.380 9.243 2.140 268 1HZ LYS 36 HZ1 LYS 36 -9.998 10.308 0.734 269 2HZ LYS 36 HZ2 LYS 36 -11.240 10.866 -0.268 270 3HZ LYS 36 HZ3 LYS 36 -10.678 9.278 -0.423 271 H MET 37 HN MET 37 -13.198 5.014 5.198 272 HA MET 37 HA MET 37 -11.019 5.702 6.877 273 1HB MET 37 HB2 MET 37 -13.645 4.337 7.447 274 2HB MET 37 HB1 MET 37 -12.462 4.694 8.702 275 1HG MET 37 HG2 MET 37 -12.662 7.035 8.337 276 2HG MET 37 HG1 MET 37 -13.635 6.785 6.889 277 1HE MET 37 HE1 MET 37 -15.760 8.351 10.042 278 2HE MET 37 HE2 MET 37 -15.334 8.747 8.378 279 3HE MET 37 HE3 MET 37 -14.068 8.569 9.591 280 H ILE 38 HN ILE 38 -11.860 2.745 5.311 281 HA ILE 38 HA ILE 38 -10.347 1.097 7.183 282 HB ILE 38 HB ILE 38 -11.491 0.238 4.531 283 1HG1 ILE 38 HG12 ILE 38 -13.188 1.296 6.108 284 2HG1 ILE 38 HG11 ILE 38 -13.533 -0.344 5.572 285 1HG2 ILE 38 HG21 ILE 38 -11.618 -1.957 5.958 286 2HG2 ILE 38 HG22 ILE 38 -10.353 -1.166 6.898 287 3HG2 ILE 38 HG23 ILE 38 -10.113 -1.472 5.178 288 1HD1 ILE 38 HD11 ILE 38 -14.061 -0.163 7.890 289 2HD1 ILE 38 HD12 ILE 38 -12.471 0.503 8.256 290 3HD1 ILE 38 HD13 ILE 38 -12.625 -1.172 7.732 291 H LYS 39 HN LYS 39 -9.869 2.724 4.147 292 HA LYS 39 HA LYS 39 -7.841 1.286 2.960 293 1HB LYS 39 HB2 LYS 39 -9.012 3.762 2.595 294 2HB LYS 39 HB1 LYS 39 -7.327 4.154 2.901 295 1HG LYS 39 HG2 LYS 39 -6.673 2.623 1.086 296 2HG LYS 39 HG1 LYS 39 -8.383 2.318 0.761 297 1HD LYS 39 HD2 LYS 39 -7.240 5.092 0.785 298 2HD LYS 39 HD1 LYS 39 -7.214 4.089 -0.669 299 1HE LYS 39 HE2 LYS 39 -9.779 4.380 0.805 300 2HE LYS 39 HE1 LYS 39 -9.210 5.748 -0.152 301 1HZ LYS 39 HZ1 LYS 39 -10.413 4.613 -1.702 302 2HZ LYS 39 HZ2 LYS 39 -10.083 3.093 -1.036 303 3HZ LYS 39 HZ3 LYS 39 -8.902 3.891 -1.947 304 HA PRO 40 HA PRO 40 -4.620 3.968 5.648 305 1HB PRO 40 HB2 PRO 40 -6.330 4.036 8.089 306 2HB PRO 40 HB1 PRO 40 -5.156 5.216 7.506 307 1HG PRO 40 HG2 PRO 40 -7.768 5.644 7.231 308 2HG PRO 40 HG1 PRO 40 -6.629 6.115 5.963 309 1HD PRO 40 HD2 PRO 40 -8.530 3.825 6.049 310 2HD PRO 40 HD1 PRO 40 -7.982 4.786 4.662 311 H PHE 41 HN PHE 41 -6.830 1.866 7.530 312 HA PHE 41 HA PHE 41 -4.620 0.539 8.800 313 1HB PHE 41 HB2 PHE 41 -7.474 -0.422 8.831 314 2HB PHE 41 HB1 PHE 41 -6.225 -0.647 10.053 315 HD1 PHE 41 HD1 PHE 41 -5.375 1.471 11.243 316 HD2 PHE 41 HD2 PHE 41 -9.006 1.296 9.034 317 HE1 PHE 41 HE1 PHE 41 -6.203 3.443 12.460 318 HE2 PHE 41 HE2 PHE 41 -9.843 3.267 10.246 319 HZ PHE 41 HZ PHE 41 -8.442 4.342 11.961 320 H PHE 42 HN PHE 42 -6.628 -0.102 6.001 321 HA PHE 42 HA PHE 42 -6.152 -2.885 5.827 322 1HB PHE 42 HB2 PHE 42 -7.781 -1.280 4.473 323 2HB PHE 42 HB1 PHE 42 -6.435 -1.260 3.339 324 HD1 PHE 42 HD1 PHE 42 -8.549 -3.659 5.254 325 HD2 PHE 42 HD2 PHE 42 -6.312 -2.900 1.710 326 HE1 PHE 42 HE1 PHE 42 -9.348 -5.781 4.298 327 HE2 PHE 42 HE2 PHE 42 -7.111 -5.020 0.749 328 HZ PHE 42 HZ PHE 42 -8.633 -6.462 2.042 329 H HIS 43 HN HIS 43 -4.493 -0.074 4.464 330 HA HIS 43 HA HIS 43 -2.574 -1.561 3.029 331 1HB HIS 43 HB2 HIS 43 -3.301 1.104 3.189 332 2HB HIS 43 HB1 HIS 43 -1.659 1.084 3.830 333 HD1 HIS 43 HD1 HIS 43 -3.494 1.110 0.689 334 HD2 HIS 43 HD2 HIS 43 0.226 -0.187 2.002 335 HE1 HIS 43 HE1 HIS 43 -2.087 0.774 -1.386 336 H SER 44 HN SER 44 -2.509 -0.104 6.276 337 HA SER 44 HA SER 44 0.191 -0.512 6.842 338 1HB SER 44 HB2 SER 44 -2.291 -0.275 8.512 339 2HB SER 44 HB1 SER 44 -0.762 -0.690 9.286 340 HG SER 44 HG SER 44 0.090 1.248 8.245 341 H LEU 45 HN LEU 45 -2.602 -2.658 7.320 342 HA LEU 45 HA LEU 45 -1.253 -4.744 8.618 343 1HB LEU 45 HB2 LEU 45 -3.700 -4.705 6.868 344 2HB LEU 45 HB1 LEU 45 -3.104 -6.186 7.598 345 HG LEU 45 HG LEU 45 -3.540 -3.884 9.414 346 1HD1 LEU 45 HD11 LEU 45 -5.508 -3.904 7.872 347 2HD1 LEU 45 HD12 LEU 45 -5.888 -4.204 9.565 348 3HD1 LEU 45 HD13 LEU 45 -5.840 -5.545 8.422 349 1HD2 LEU 45 HD21 LEU 45 -4.343 -6.755 9.731 350 2HD2 LEU 45 HD22 LEU 45 -4.023 -5.555 10.983 351 3HD2 LEU 45 HD23 LEU 45 -2.693 -6.206 10.025 352 H SER 46 HN SER 46 -1.698 -4.039 5.188 353 HA SER 46 HA SER 46 -0.690 -6.402 4.114 354 1HB SER 46 HB2 SER 46 -0.562 -5.270 2.077 355 2HB SER 46 HB1 SER 46 -1.776 -4.340 2.953 356 HG SER 46 HG SER 46 -0.456 -2.689 3.065 357 H GLU 47 HN GLU 47 0.980 -3.728 5.644 358 HA GLU 47 HA GLU 47 3.564 -4.584 4.641 359 1HB GLU 47 HB2 GLU 47 2.647 -2.148 5.266 360 2HB GLU 47 HB1 GLU 47 3.360 -2.577 6.816 361 1HG GLU 47 HG2 GLU 47 4.930 -2.897 4.295 362 2HG GLU 47 HG1 GLU 47 4.774 -1.315 5.059 363 H LYS 48 HN LYS 48 1.552 -5.188 7.353 364 HA LYS 48 HA LYS 48 3.797 -6.128 8.981 365 1HB LYS 48 HB2 LYS 48 2.004 -4.789 10.049 366 2HB LYS 48 HB1 LYS 48 0.842 -6.032 9.615 367 1HG LYS 48 HG2 LYS 48 2.499 -7.584 10.934 368 2HG LYS 48 HG1 LYS 48 2.952 -6.058 11.699 369 1HD LYS 48 HD2 LYS 48 0.141 -7.129 11.498 370 2HD LYS 48 HD1 LYS 48 1.172 -7.262 12.922 371 1HE LYS 48 HE2 LYS 48 0.561 -4.597 11.686 372 2HE LYS 48 HE1 LYS 48 -0.556 -5.357 12.816 373 1HZ LYS 48 HZ1 LYS 48 2.272 -5.113 13.564 374 2HZ LYS 48 HZ2 LYS 48 0.892 -5.127 14.548 375 3HZ LYS 48 HZ3 LYS 48 1.282 -3.740 13.659 376 H TYR 49 HN TYR 49 1.300 -7.242 6.905 377 HA TYR 49 HA TYR 49 1.566 -10.026 7.775 378 1HB TYR 49 HB2 TYR 49 -0.356 -8.476 6.103 379 2HB TYR 49 HB1 TYR 49 -0.174 -10.195 5.771 380 HD1 TYR 49 HD1 TYR 49 -1.126 -11.827 7.207 381 HD2 TYR 49 HD2 TYR 49 -1.126 -7.735 8.373 382 HE1 TYR 49 HE1 TYR 49 -2.677 -12.356 9.040 383 HE2 TYR 49 HE2 TYR 49 -2.681 -8.253 10.209 384 HH TYR 49 HH TYR 49 -4.470 -10.153 10.628 385 H SER 50 HN SER 50 3.546 -10.717 7.001 386 HA SER 50 HA SER 50 4.204 -10.254 4.188 387 1HB SER 50 HB2 SER 50 5.956 -9.930 5.930 388 2HB SER 50 HB1 SER 50 5.840 -11.643 6.327 389 HG SER 50 HG SER 50 6.692 -12.162 4.385 390 H ASN 51 HN ASN 51 1.998 -11.758 4.408 391 HA ASN 51 HA ASN 51 2.860 -14.292 3.306 392 1HB ASN 51 HB2 ASN 51 2.496 -14.586 5.813 393 2HB ASN 51 HB1 ASN 51 0.789 -14.270 5.498 394 1HD2 ASN 51 HD21 ASN 51 2.478 -16.671 6.332 395 2HD2 ASN 51 HD22 ASN 51 1.900 -17.939 5.314 396 H VAL 52 HN VAL 52 0.168 -12.195 4.227 397 HA VAL 52 HA VAL 52 -1.490 -13.294 2.098 398 HB VAL 52 HB VAL 52 -3.311 -12.072 3.078 399 1HG1 VAL 52 HG11 VAL 52 -2.109 -14.111 4.307 400 2HG1 VAL 52 HG12 VAL 52 -3.544 -13.319 4.957 401 3HG1 VAL 52 HG13 VAL 52 -1.947 -12.893 5.571 402 1HG2 VAL 52 HG21 VAL 52 -2.278 -10.853 5.372 403 2HG2 VAL 52 HG22 VAL 52 -2.946 -10.059 3.943 404 3HG2 VAL 52 HG23 VAL 52 -1.215 -10.363 4.051 405 H ILE 53 HN ILE 53 -2.560 -11.945 0.567 406 HA ILE 53 HA ILE 53 -0.970 -9.587 -0.170 407 HB ILE 53 HB ILE 53 -1.167 -11.614 -1.735 408 1HG1 ILE 53 HG12 ILE 53 -1.481 -10.055 -3.751 409 2HG1 ILE 53 HG11 ILE 53 -1.677 -8.778 -2.552 410 1HG2 ILE 53 HG21 ILE 53 -3.041 -11.850 -3.136 411 2HG2 ILE 53 HG22 ILE 53 -3.808 -10.403 -2.481 412 3HG2 ILE 53 HG23 ILE 53 -3.642 -11.847 -1.478 413 1HD1 ILE 53 HD11 ILE 53 0.639 -9.095 -3.504 414 2HD1 ILE 53 HD12 ILE 53 0.699 -10.608 -2.600 415 3HD1 ILE 53 HD13 ILE 53 0.513 -9.077 -1.746 416 H PHE 54 HN PHE 54 -1.857 -7.748 0.401 417 HA PHE 54 HA PHE 54 -4.754 -7.492 0.720 418 1HB PHE 54 HB2 PHE 54 -2.328 -5.952 1.558 419 2HB PHE 54 HB1 PHE 54 -3.833 -5.081 1.393 420 HD1 PHE 54 HD1 PHE 54 -2.539 -8.194 3.073 421 HD2 PHE 54 HD2 PHE 54 -5.084 -4.782 3.225 422 HE1 PHE 54 HE1 PHE 54 -3.142 -8.739 5.397 423 HE2 PHE 54 HE2 PHE 54 -5.702 -5.334 5.535 424 HZ PHE 54 HZ PHE 54 -4.728 -7.312 6.625 425 H LEU 55 HN LEU 55 -5.884 -6.819 -1.093 426 HA LEU 55 HA LEU 55 -4.588 -4.732 -2.669 427 1HB LEU 55 HB2 LEU 55 -4.749 -5.732 -4.624 428 2HB LEU 55 HB1 LEU 55 -4.810 -7.205 -3.677 429 HG LEU 55 HG LEU 55 -7.480 -6.512 -3.912 430 1HD1 LEU 55 HD11 LEU 55 -6.934 -4.739 -5.505 431 2HD1 LEU 55 HD12 LEU 55 -7.822 -6.050 -6.287 432 3HD1 LEU 55 HD13 LEU 55 -6.078 -5.908 -6.512 433 1HD2 LEU 55 HD21 LEU 55 -6.290 -8.733 -4.200 434 2HD2 LEU 55 HD22 LEU 55 -5.976 -8.244 -5.864 435 3HD2 LEU 55 HD23 LEU 55 -7.633 -8.431 -5.301 436 H GLU 56 HN GLU 56 -6.120 -3.580 -4.122 437 HA GLU 56 HA GLU 56 -8.572 -3.030 -2.597 438 1HB GLU 56 HB2 GLU 56 -6.446 -1.430 -2.980 439 2HB GLU 56 HB1 GLU 56 -7.423 -0.983 -4.367 440 1HG GLU 56 HG2 GLU 56 -9.211 -0.275 -3.004 441 2HG GLU 56 HG1 GLU 56 -8.507 -1.016 -1.571 442 H VAL 57 HN VAL 57 -10.392 -3.492 -3.621 443 HA VAL 57 HA VAL 57 -10.441 -3.186 -6.548 444 HB VAL 57 HB VAL 57 -12.399 -4.924 -5.078 445 1HG1 VAL 57 HG11 VAL 57 -12.949 -5.684 -7.164 446 2HG1 VAL 57 HG12 VAL 57 -11.345 -5.372 -7.821 447 3HG1 VAL 57 HG13 VAL 57 -12.462 -4.035 -7.549 448 1HG2 VAL 57 HG21 VAL 57 -11.020 -6.858 -5.443 449 2HG2 VAL 57 HG22 VAL 57 -10.079 -5.687 -4.523 450 3HG2 VAL 57 HG23 VAL 57 -9.788 -5.889 -6.251 451 H ASP 58 HN ASP 58 -11.580 -1.545 -7.214 452 HA ASP 58 HA ASP 58 -13.606 -0.379 -5.446 453 1HB ASP 58 HB2 ASP 58 -11.850 1.122 -6.267 454 2HB ASP 58 HB1 ASP 58 -12.273 0.732 -7.929 455 H VAL 59 HN VAL 59 -15.671 -0.863 -5.823 456 HA VAL 59 HA VAL 59 -16.516 -2.418 -7.971 457 HB VAL 59 HB VAL 59 -17.733 -2.271 -5.833 458 1HG1 VAL 59 HG11 VAL 59 -19.112 0.204 -6.744 459 2HG1 VAL 59 HG12 VAL 59 -17.549 0.357 -5.945 460 3HG1 VAL 59 HG13 VAL 59 -18.888 -0.431 -5.114 461 1HG2 VAL 59 HG21 VAL 59 -19.740 -1.466 -7.865 462 2HG2 VAL 59 HG22 VAL 59 -19.723 -2.854 -6.773 463 3HG2 VAL 59 HG23 VAL 59 -18.719 -2.859 -8.224 464 H ASP 60 HN ASP 60 -15.975 0.967 -7.844 465 HA ASP 60 HA ASP 60 -17.833 1.783 -9.820 466 1HB ASP 60 HB2 ASP 60 -16.269 3.197 -8.203 467 2HB ASP 60 HB1 ASP 60 -15.187 3.153 -9.590 468 H ASP 61 HN ASP 61 -14.566 0.519 -9.929 469 HA ASP 61 HA ASP 61 -14.591 0.583 -12.866 470 1HB ASP 61 HB2 ASP 61 -12.416 0.214 -10.816 471 2HB ASP 61 HB1 ASP 61 -12.166 -0.245 -12.498 472 H ALA 62 HN ALA 62 -14.442 -1.560 -10.105 473 HA ALA 62 HA ALA 62 -14.302 -3.927 -11.797 474 1HB ALA 62 HB1 ALA 62 -13.328 -4.926 -10.047 475 2HB ALA 62 HB2 ALA 62 -14.585 -4.384 -8.937 476 3HB ALA 62 HB3 ALA 62 -13.238 -3.319 -9.328 477 H GLN 63 HN GLN 63 -16.630 -2.517 -12.160 478 HA GLN 63 HA GLN 63 -18.751 -3.378 -10.497 479 1HB GLN 63 HB2 GLN 63 -18.631 -1.373 -12.113 480 2HB GLN 63 HB1 GLN 63 -19.098 -2.528 -13.354 481 1HG GLN 63 HG2 GLN 63 -20.918 -3.004 -11.354 482 2HG GLN 63 HG1 GLN 63 -20.687 -1.259 -11.279 483 1HE2 GLN 63 HE21 GLN 63 -22.795 -3.285 -12.365 484 2HE2 GLN 63 HE22 GLN 63 -23.226 -2.596 -13.890 485 H ASP 64 HN ASP 64 -16.955 -5.061 -12.813 486 HA ASP 64 HA ASP 64 -19.163 -6.826 -13.539 487 1HB ASP 64 HB2 ASP 64 -16.463 -6.288 -14.613 488 2HB ASP 64 HB1 ASP 64 -17.026 -7.948 -14.747 489 H VAL 65 HN VAL 65 -16.498 -6.696 -11.321 490 HA VAL 65 HA VAL 65 -16.388 -9.555 -10.975 491 HB VAL 65 HB VAL 65 -14.992 -8.954 -8.901 492 1HG1 VAL 65 HG11 VAL 65 -14.275 -8.554 -11.759 493 2HG1 VAL 65 HG12 VAL 65 -13.733 -9.785 -10.618 494 3HG1 VAL 65 HG13 VAL 65 -13.082 -8.149 -10.526 495 1HG2 VAL 65 HG21 VAL 65 -15.769 -6.594 -8.762 496 2HG2 VAL 65 HG22 VAL 65 -14.894 -6.267 -10.261 497 3HG2 VAL 65 HG23 VAL 65 -14.014 -6.767 -8.817 498 H ALA 66 HN ALA 66 -17.658 -6.801 -9.029 499 HA ALA 66 HA ALA 66 -18.543 -8.150 -6.819 500 1HB ALA 66 HB1 ALA 66 -18.900 -5.925 -6.598 501 2HB ALA 66 HB2 ALA 66 -20.530 -6.381 -7.096 502 3HB ALA 66 HB3 ALA 66 -19.396 -5.730 -8.278 503 HA PRO 67 HA PRO 67 -22.945 -8.881 -9.004 504 1HB PRO 67 HB2 PRO 67 -22.455 -9.237 -11.760 505 2HB PRO 67 HB1 PRO 67 -23.305 -7.885 -11.006 506 1HG PRO 67 HG2 PRO 67 -20.459 -8.094 -11.866 507 2HG PRO 67 HG1 PRO 67 -21.553 -6.701 -11.929 508 1HD PRO 67 HD2 PRO 67 -19.648 -6.840 -10.090 509 2HD PRO 67 HD1 PRO 67 -21.263 -6.231 -9.664 510 H LYS 68 HN LYS 68 -19.853 -10.135 -10.052 511 HA LYS 68 HA LYS 68 -20.809 -12.774 -10.676 512 1HB LYS 68 HB2 LYS 68 -18.438 -11.326 -11.095 513 2HB LYS 68 HB1 LYS 68 -17.983 -12.674 -10.063 514 1HG LYS 68 HG2 LYS 68 -18.464 -14.239 -11.660 515 2HG LYS 68 HG1 LYS 68 -19.671 -13.224 -12.449 516 1HD LYS 68 HD2 LYS 68 -17.711 -11.723 -13.118 517 2HD LYS 68 HD1 LYS 68 -16.676 -13.068 -12.638 518 1HE LYS 68 HE2 LYS 68 -18.410 -14.370 -14.225 519 2HE LYS 68 HE1 LYS 68 -18.460 -12.777 -14.979 520 1HZ LYS 68 HZ1 LYS 68 -16.100 -14.521 -14.579 521 2HZ LYS 68 HZ2 LYS 68 -15.970 -12.892 -15.008 522 3HZ LYS 68 HZ3 LYS 68 -16.751 -13.976 -16.042 523 H TYR 69 HN TYR 69 -19.758 -11.100 -7.823 524 HA TYR 69 HA TYR 69 -19.608 -13.612 -6.289 525 1HB TYR 69 HB2 TYR 69 -18.610 -10.816 -5.767 526 2HB TYR 69 HB1 TYR 69 -18.626 -12.074 -4.541 527 HD1 TYR 69 HD1 TYR 69 -17.414 -14.322 -5.242 528 HD2 TYR 69 HD2 TYR 69 -16.736 -10.540 -7.069 529 HE1 TYR 69 HE1 TYR 69 -15.239 -15.118 -6.072 530 HE2 TYR 69 HE2 TYR 69 -14.563 -11.323 -7.903 531 HH TYR 69 HH TYR 69 -13.691 -14.473 -8.080 532 H GLY 70 HN GLY 70 -21.773 -11.222 -7.039 533 1HA GLY 70 HA2 GLY 70 -23.851 -10.690 -6.202 534 2HA GLY 70 HA1 GLY 70 -23.657 -12.034 -5.090 535 H ILE 71 HN ILE 71 -21.576 -9.160 -5.263 536 HA ILE 71 HA ILE 71 -21.918 -8.729 -2.443 537 HB ILE 71 HB ILE 71 -20.463 -7.037 -4.490 538 1HG1 ILE 71 HG12 ILE 71 -19.367 -8.973 -2.446 539 2HG1 ILE 71 HG11 ILE 71 -19.560 -9.344 -4.153 540 1HG2 ILE 71 HG21 ILE 71 -20.565 -6.880 -1.487 541 2HG2 ILE 71 HG22 ILE 71 -20.940 -5.614 -2.654 542 3HG2 ILE 71 HG23 ILE 71 -19.272 -6.155 -2.442 543 1HD1 ILE 71 HD11 ILE 71 -17.458 -8.644 -4.360 544 2HD1 ILE 71 HD12 ILE 71 -17.478 -7.849 -2.786 545 3HD1 ILE 71 HD13 ILE 71 -18.117 -7.016 -4.202 546 H ARG 72 HN ARG 72 -23.201 -7.291 -1.428 547 HA ARG 72 HA ARG 72 -24.558 -5.227 -3.004 548 1HB ARG 72 HB2 ARG 72 -25.983 -7.298 -2.897 549 2HB ARG 72 HB1 ARG 72 -26.070 -7.066 -1.152 550 1HG ARG 72 HG2 ARG 72 -27.978 -6.000 -1.742 551 2HG ARG 72 HG1 ARG 72 -26.853 -4.647 -1.892 552 1HD ARG 72 HD2 ARG 72 -26.618 -5.630 -4.351 553 2HD ARG 72 HD1 ARG 72 -28.248 -6.203 -3.999 554 HE ARG 72 HE ARG 72 -27.435 -3.506 -4.504 555 1HH1 ARG 72 HH11 ARG 72 -29.804 -5.484 -2.863 556 2HH1 ARG 72 HH12 ARG 72 -30.999 -4.231 -2.823 557 1HH2 ARG 72 HH21 ARG 72 -29.005 -1.868 -4.450 558 2HH2 ARG 72 HH22 ARG 72 -30.552 -2.187 -3.736 559 H GLY 73 HN GLY 73 -22.860 -4.089 -1.690 560 1HA GLY 73 HA2 GLY 73 -23.827 -2.346 0.099 561 2HA GLY 73 HA1 GLY 73 -23.495 -3.727 1.126 562 H ILE 74 HN ILE 74 -22.248 -1.359 1.629 563 HA ILE 74 HA ILE 74 -19.470 -2.095 1.211 564 HB ILE 74 HB ILE 74 -18.813 0.165 0.489 565 1HG1 ILE 74 HG12 ILE 74 -20.869 1.320 1.354 566 2HG1 ILE 74 HG11 ILE 74 -20.421 1.776 -0.283 567 1HG2 ILE 74 HG21 ILE 74 -19.213 -0.194 -1.780 568 2HG2 ILE 74 HG22 ILE 74 -20.790 -0.920 -1.484 569 3HG2 ILE 74 HG23 ILE 74 -19.320 -1.800 -1.062 570 1HD1 ILE 74 HD11 ILE 74 -22.861 0.592 0.713 571 2HD1 ILE 74 HD12 ILE 74 -22.190 -0.319 -0.639 572 3HD1 ILE 74 HD13 ILE 74 -22.536 1.399 -0.821 573 HA PRO 75 HA PRO 75 -17.528 -1.141 1.610 574 1HB PRO 75 HB2 PRO 75 -15.554 -1.276 3.391 575 2HB PRO 75 HB1 PRO 75 -16.196 0.289 2.886 576 1HG PRO 75 HG2 PRO 75 -16.754 -1.271 5.376 577 2HG PRO 75 HG1 PRO 75 -16.470 0.466 5.189 578 1HD PRO 75 HD2 PRO 75 -18.967 -0.702 5.397 579 2HD PRO 75 HD1 PRO 75 -18.651 0.881 4.661 580 H THR 76 HN THR 76 -17.516 -3.218 0.948 581 HA THR 76 HA THR 76 -17.877 -5.360 2.869 582 HB THR 76 HB THR 76 -17.396 -6.120 0.081 583 HG1 THR 76 HG1 THR 76 -19.502 -4.342 0.719 584 1HG2 THR 76 HG21 THR 76 -18.913 -7.061 2.263 585 2HG2 THR 76 HG22 THR 76 -18.695 -7.795 0.673 586 3HG2 THR 76 HG23 THR 76 -20.037 -6.687 0.957 587 H LEU 77 HN LEU 77 -16.369 -6.826 3.455 588 HA LEU 77 HA LEU 77 -13.663 -6.501 2.346 589 1HB LEU 77 HB2 LEU 77 -14.567 -6.591 5.035 590 2HB LEU 77 HB1 LEU 77 -13.703 -8.088 4.745 591 HG LEU 77 HG LEU 77 -11.805 -6.626 3.838 592 1HD1 LEU 77 HD11 LEU 77 -13.227 -4.493 5.411 593 2HD1 LEU 77 HD12 LEU 77 -13.233 -4.585 3.651 594 3HD1 LEU 77 HD13 LEU 77 -11.716 -4.347 4.516 595 1HD2 LEU 77 HD21 LEU 77 -12.259 -7.669 6.285 596 2HD2 LEU 77 HD22 LEU 77 -12.082 -5.963 6.690 597 3HD2 LEU 77 HD23 LEU 77 -10.790 -6.804 5.838 598 H LEU 78 HN LEU 78 -12.972 -8.067 1.088 599 HA LEU 78 HA LEU 78 -14.334 -10.672 1.233 600 1HB LEU 78 HB2 LEU 78 -13.306 -9.059 -1.069 601 2HB LEU 78 HB1 LEU 78 -13.355 -10.804 -1.212 602 HG LEU 78 HG LEU 78 -15.634 -8.856 -1.033 603 1HD1 LEU 78 HD11 LEU 78 -14.443 -10.016 -3.133 604 2HD1 LEU 78 HD12 LEU 78 -16.149 -9.574 -3.100 605 3HD1 LEU 78 HD13 LEU 78 -15.662 -11.238 -2.766 606 1HD2 LEU 78 HD21 LEU 78 -17.063 -11.018 -0.922 607 2HD2 LEU 78 HD22 LEU 78 -16.436 -10.317 0.569 608 3HD2 LEU 78 HD23 LEU 78 -15.637 -11.715 -0.152 609 H LEU 79 HN LEU 79 -13.192 -12.472 1.454 610 HA LEU 79 HA LEU 79 -10.257 -12.278 1.522 611 1HB LEU 79 HB2 LEU 79 -12.240 -13.471 3.357 612 2HB LEU 79 HB1 LEU 79 -10.859 -14.494 3.020 613 HG LEU 79 HG LEU 79 -10.604 -13.135 5.077 614 1HD1 LEU 79 HD11 LEU 79 -8.705 -12.729 2.789 615 2HD1 LEU 79 HD12 LEU 79 -8.585 -13.858 4.136 616 3HD1 LEU 79 HD13 LEU 79 -8.357 -12.131 4.411 617 1HD2 LEU 79 HD21 LEU 79 -11.857 -11.171 4.291 618 2HD2 LEU 79 HD22 LEU 79 -10.547 -10.797 3.172 619 3HD2 LEU 79 HD23 LEU 79 -10.264 -10.740 4.914 620 H PHE 80 HN PHE 80 -9.256 -13.451 -0.005 621 HA PHE 80 HA PHE 80 -10.755 -15.674 -1.224 622 1HB PHE 80 HB2 PHE 80 -8.905 -13.628 -2.396 623 2HB PHE 80 HB1 PHE 80 -9.142 -15.168 -3.207 624 HD1 PHE 80 HD1 PHE 80 -10.683 -12.032 -2.183 625 HD2 PHE 80 HD2 PHE 80 -11.254 -15.699 -4.271 626 HE1 PHE 80 HE1 PHE 80 -12.737 -11.128 -3.186 627 HE2 PHE 80 HE2 PHE 80 -13.317 -14.801 -5.281 628 HZ PHE 80 HZ PHE 80 -14.058 -12.513 -4.739 629 H LYS 81 HN LYS 81 -9.704 -17.564 -1.759 630 HA LYS 81 HA LYS 81 -6.932 -17.932 -0.928 631 1HB LYS 81 HB2 LYS 81 -8.858 -18.467 0.879 632 2HB LYS 81 HB1 LYS 81 -8.840 -19.998 0.017 633 1HG LYS 81 HG2 LYS 81 -6.872 -20.611 0.887 634 2HG LYS 81 HG1 LYS 81 -6.191 -18.991 0.759 635 1HD LYS 81 HD2 LYS 81 -7.796 -18.429 2.718 636 2HD LYS 81 HD1 LYS 81 -7.864 -20.177 2.946 637 1HE LYS 81 HE2 LYS 81 -5.354 -18.502 2.929 638 2HE LYS 81 HE1 LYS 81 -6.157 -19.137 4.365 639 1HZ LYS 81 HZ1 LYS 81 -5.172 -20.881 2.183 640 2HZ LYS 81 HZ2 LYS 81 -5.643 -21.332 3.747 641 3HZ LYS 81 HZ3 LYS 81 -4.216 -20.457 3.515 642 H ASN 82 HN ASN 82 -6.024 -18.827 -2.710 643 HA ASN 82 HA ASN 82 -5.687 -20.171 -4.528 644 1HB ASN 82 HB2 ASN 82 -7.821 -22.003 -3.442 645 2HB ASN 82 HB1 ASN 82 -6.414 -22.425 -4.405 646 1HD2 ASN 82 HD21 ASN 82 -4.309 -21.475 -3.205 647 2HD2 ASN 82 HD22 ASN 82 -4.172 -22.024 -1.572 648 H GLY 83 HN GLY 83 -7.349 -18.048 -4.964 649 1HA GLY 83 HA2 GLY 83 -8.722 -17.245 -6.616 650 2HA GLY 83 HA1 GLY 83 -8.777 -18.865 -7.281 651 H GLU 84 HN GLU 84 -9.769 -19.060 -4.104 652 HA GLU 84 HA GLU 84 -12.587 -18.661 -4.868 653 1HB GLU 84 HB2 GLU 84 -11.650 -21.092 -4.596 654 2HB GLU 84 HB1 GLU 84 -11.804 -20.752 -2.877 655 1HG GLU 84 HG2 GLU 84 -14.143 -20.137 -4.566 656 2HG GLU 84 HG1 GLU 84 -13.754 -21.840 -4.333 657 H VAL 85 HN VAL 85 -13.917 -17.707 -3.433 658 HA VAL 85 HA VAL 85 -12.762 -16.136 -1.355 659 HB VAL 85 HB VAL 85 -14.729 -15.360 -2.592 660 1HG1 VAL 85 HG11 VAL 85 -15.746 -17.768 -2.511 661 2HG1 VAL 85 HG12 VAL 85 -16.796 -16.352 -2.562 662 3HG1 VAL 85 HG13 VAL 85 -16.501 -17.176 -1.032 663 1HG2 VAL 85 HG21 VAL 85 -15.604 -15.649 0.260 664 2HG2 VAL 85 HG22 VAL 85 -15.737 -14.255 -0.813 665 3HG2 VAL 85 HG23 VAL 85 -14.169 -14.711 -0.151 666 H ALA 86 HN ALA 86 -12.283 -16.781 0.665 667 HA ALA 86 HA ALA 86 -13.749 -19.071 1.771 668 1HB ALA 86 HB1 ALA 86 -10.925 -18.217 2.363 669 2HB ALA 86 HB2 ALA 86 -11.421 -19.608 1.396 670 3HB ALA 86 HB3 ALA 86 -11.763 -19.570 3.123 671 H ALA 87 HN ALA 87 -13.973 -15.967 1.955 672 HA ALA 87 HA ALA 87 -15.201 -15.901 4.478 673 1HB ALA 87 HB1 ALA 87 -12.389 -15.520 4.580 674 2HB ALA 87 HB2 ALA 87 -13.559 -15.452 5.896 675 3HB ALA 87 HB3 ALA 87 -13.172 -13.994 4.985 676 H THR 88 HN THR 88 -16.554 -14.159 4.622 677 HA THR 88 HA THR 88 -16.053 -11.863 2.873 678 HB THR 88 HB THR 88 -18.684 -13.348 2.961 679 HG1 THR 88 HG1 THR 88 -18.011 -14.383 1.281 680 1HG2 THR 88 HG21 THR 88 -19.655 -11.671 1.902 681 2HG2 THR 88 HG22 THR 88 -18.315 -11.522 0.766 682 3HG2 THR 88 HG23 THR 88 -18.249 -10.694 2.320 683 H LYS 89 HN LYS 89 -16.238 -10.048 3.995 684 HA LYS 89 HA LYS 89 -18.062 -10.005 6.302 685 1HB LYS 89 HB2 LYS 89 -15.232 -9.430 6.133 686 2HB LYS 89 HB1 LYS 89 -16.114 -8.028 6.722 687 1HG LYS 89 HG2 LYS 89 -16.506 -10.757 7.900 688 2HG LYS 89 HG1 LYS 89 -15.227 -9.673 8.449 689 1HD LYS 89 HD2 LYS 89 -16.925 -7.964 8.954 690 2HD LYS 89 HD1 LYS 89 -18.187 -9.088 8.452 691 1HE LYS 89 HE2 LYS 89 -17.718 -10.558 10.248 692 2HE LYS 89 HE1 LYS 89 -16.211 -9.726 10.626 693 1HZ LYS 89 HZ1 LYS 89 -17.576 -7.753 11.203 694 2HZ LYS 89 HZ2 LYS 89 -17.836 -9.082 12.216 695 3HZ LYS 89 HZ3 LYS 89 -18.964 -8.701 11.018 696 H VAL 90 HN VAL 90 -19.268 -8.164 6.646 697 HA VAL 90 HA VAL 90 -19.268 -6.176 4.467 698 HB VAL 90 HB VAL 90 -21.700 -7.078 6.012 699 1HG1 VAL 90 HG11 VAL 90 -21.967 -4.855 5.163 700 2HG1 VAL 90 HG12 VAL 90 -22.901 -5.944 4.142 701 3HG1 VAL 90 HG13 VAL 90 -21.350 -5.328 3.582 702 1HG2 VAL 90 HG21 VAL 90 -20.718 -7.919 3.289 703 2HG2 VAL 90 HG22 VAL 90 -22.335 -8.238 3.908 704 3HG2 VAL 90 HG23 VAL 90 -20.929 -8.941 4.709 705 H GLY 91 HN GLY 91 -19.693 -4.002 4.992 706 1HA GLY 91 HA2 GLY 91 -19.948 -2.163 6.333 707 2HA GLY 91 HA1 GLY 91 -20.272 -3.226 7.690 708 H ALA 92 HN ALA 92 -18.786 -0.932 7.930 709 HA ALA 92 HA ALA 92 -16.000 -1.343 7.697 710 1HB ALA 92 HB1 ALA 92 -17.740 0.654 9.063 711 2HB ALA 92 HB2 ALA 92 -16.539 0.882 7.791 712 3HB ALA 92 HB3 ALA 92 -16.018 0.601 9.453 713 H LEU 93 HN LEU 93 -14.461 -1.477 9.434 714 HA LEU 93 HA LEU 93 -15.329 -2.517 11.978 715 1HB LEU 93 HB2 LEU 93 -13.798 -4.563 11.635 716 2HB LEU 93 HB1 LEU 93 -15.409 -4.594 10.947 717 HG LEU 93 HG LEU 93 -13.151 -3.667 9.230 718 1HD1 LEU 93 HD11 LEU 93 -13.628 -6.471 10.153 719 2HD1 LEU 93 HD12 LEU 93 -12.106 -5.611 9.929 720 3HD1 LEU 93 HD13 LEU 93 -13.026 -6.159 8.524 721 1HD2 LEU 93 HD21 LEU 93 -15.859 -4.858 8.906 722 2HD2 LEU 93 HD22 LEU 93 -14.653 -5.122 7.644 723 3HD2 LEU 93 HD23 LEU 93 -15.124 -3.480 8.084 724 H SER 94 HN SER 94 -13.647 -2.569 13.539 725 HA SER 94 HA SER 94 -11.672 -0.575 13.160 726 1HB SER 94 HB2 SER 94 -12.492 -2.400 15.353 727 2HB SER 94 HB1 SER 94 -10.863 -1.726 15.443 728 HG SER 94 HG SER 94 -12.828 -0.522 16.352 729 H LYS 95 HN LYS 95 -9.343 -1.247 14.134 730 HA LYS 95 HA LYS 95 -8.156 -2.818 12.069 731 1HB LYS 95 HB2 LYS 95 -6.992 -0.883 12.999 732 2HB LYS 95 HB1 LYS 95 -6.948 -1.644 14.580 733 1HG LYS 95 HG2 LYS 95 -5.218 -2.997 14.030 734 2HG LYS 95 HG1 LYS 95 -5.737 -3.166 12.355 735 1HD LYS 95 HD2 LYS 95 -4.925 -0.919 11.860 736 2HD LYS 95 HD1 LYS 95 -4.440 -0.712 13.545 737 1HE LYS 95 HE2 LYS 95 -3.026 -2.837 13.169 738 2HE LYS 95 HE1 LYS 95 -3.265 -2.503 11.453 739 1HZ LYS 95 HZ1 LYS 95 -2.464 -0.120 12.256 740 2HZ LYS 95 HZ2 LYS 95 -1.379 -1.329 11.776 741 3HZ LYS 95 HZ3 LYS 95 -1.671 -1.060 13.420 742 H GLY 96 HN GLY 96 -9.110 -3.448 15.396 743 1HA GLY 96 HA2 GLY 96 -7.586 -5.865 15.600 744 2HA GLY 96 HA1 GLY 96 -8.818 -5.314 16.719 745 H GLN 97 HN GLN 97 -10.889 -5.099 14.655 746 HA GLN 97 HA GLN 97 -11.744 -7.835 14.732 747 1HB GLN 97 HB2 GLN 97 -12.944 -5.370 13.471 748 2HB GLN 97 HB1 GLN 97 -13.697 -6.957 13.406 749 1HG GLN 97 HG2 GLN 97 -14.765 -6.206 15.230 750 2HG GLN 97 HG1 GLN 97 -13.310 -6.783 16.041 751 1HE2 GLN 97 HE21 GLN 97 -11.739 -5.261 16.697 752 2HE2 GLN 97 HE22 GLN 97 -12.138 -3.593 16.910 753 H LEU 98 HN LEU 98 -10.338 -5.696 12.385 754 HA LEU 98 HA LEU 98 -10.843 -7.367 10.124 755 1HB LEU 98 HB2 LEU 98 -10.016 -4.800 10.412 756 2HB LEU 98 HB1 LEU 98 -8.493 -5.587 10.031 757 HG LEU 98 HG LEU 98 -10.874 -6.101 8.296 758 1HD1 LEU 98 HD11 LEU 98 -11.003 -3.789 8.248 759 2HD1 LEU 98 HD12 LEU 98 -9.920 -4.148 6.899 760 3HD1 LEU 98 HD13 LEU 98 -9.261 -3.589 8.436 761 1HD2 LEU 98 HD21 LEU 98 -8.896 -6.025 6.614 762 2HD2 LEU 98 HD22 LEU 98 -9.090 -7.428 7.664 763 3HD2 LEU 98 HD23 LEU 98 -7.897 -6.191 8.057 764 H LYS 99 HN LYS 99 -7.998 -6.762 12.163 765 HA LYS 99 HA LYS 99 -6.297 -8.645 10.964 766 1HB LYS 99 HB2 LYS 99 -5.833 -6.763 12.726 767 2HB LYS 99 HB1 LYS 99 -6.136 -8.038 13.897 768 1HG LYS 99 HG2 LYS 99 -4.336 -9.369 12.903 769 2HG LYS 99 HG1 LYS 99 -4.037 -8.090 11.732 770 1HD LYS 99 HD2 LYS 99 -2.433 -7.952 13.555 771 2HD LYS 99 HD1 LYS 99 -3.501 -6.545 13.573 772 1HE LYS 99 HE2 LYS 99 -4.765 -7.441 15.387 773 2HE LYS 99 HE1 LYS 99 -3.948 -8.996 15.268 774 1HZ LYS 99 HZ1 LYS 99 -2.655 -6.432 16.036 775 2HZ LYS 99 HZ2 LYS 99 -1.894 -7.940 15.955 776 3HZ LYS 99 HZ3 LYS 99 -3.102 -7.664 17.106 777 H GLU 100 HN GLU 100 -8.604 -8.979 13.661 778 HA GLU 100 HA GLU 100 -7.877 -11.597 14.379 779 1HB GLU 100 HB2 GLU 100 -9.732 -11.633 15.760 780 2HB GLU 100 HB1 GLU 100 -9.454 -9.908 15.594 781 1HG GLU 100 HG2 GLU 100 -11.656 -9.871 15.213 782 2HG GLU 100 HG1 GLU 100 -11.178 -10.294 13.571 783 H PHE 101 HN PHE 101 -10.056 -10.359 11.929 784 HA PHE 101 HA PHE 101 -11.229 -12.806 11.152 785 1HB PHE 101 HB2 PHE 101 -11.960 -10.439 10.535 786 2HB PHE 101 HB1 PHE 101 -10.676 -10.456 9.332 787 HD1 PHE 101 HD1 PHE 101 -12.992 -13.191 10.328 788 HD2 PHE 101 HD2 PHE 101 -11.774 -10.448 7.313 789 HE1 PHE 101 HE1 PHE 101 -14.489 -14.300 8.723 790 HE2 PHE 101 HE2 PHE 101 -13.267 -11.550 5.701 791 HZ PHE 101 HZ PHE 101 -14.628 -13.481 6.404 792 H LEU 102 HN LEU 102 -8.344 -11.074 10.104 793 HA LEU 102 HA LEU 102 -7.631 -12.830 7.999 794 1HB LEU 102 HB2 LEU 102 -6.392 -10.586 9.434 795 2HB LEU 102 HB1 LEU 102 -5.245 -11.770 8.835 796 HG LEU 102 HG LEU 102 -7.272 -10.268 7.191 797 1HD1 LEU 102 HD11 LEU 102 -4.307 -10.025 7.557 798 2HD1 LEU 102 HD12 LEU 102 -5.548 -8.780 7.704 799 3HD1 LEU 102 HD13 LEU 102 -5.123 -9.417 6.116 800 1HD2 LEU 102 HD21 LEU 102 -5.821 -11.363 5.319 801 2HD2 LEU 102 HD22 LEU 102 -7.133 -12.273 6.066 802 3HD2 LEU 102 HD23 LEU 102 -5.468 -12.563 6.562 803 H ASP 103 HN ASP 103 -6.248 -12.478 11.275 804 HA ASP 103 HA ASP 103 -4.547 -14.640 11.242 805 1HB ASP 103 HB2 ASP 103 -5.511 -12.863 13.184 806 2HB ASP 103 HB1 ASP 103 -5.880 -14.465 13.813 807 H ALA 104 HN ALA 104 -8.026 -14.609 11.750 808 HA ALA 104 HA ALA 104 -8.246 -17.342 12.540 809 1HB ALA 104 HB1 ALA 104 -9.902 -15.608 13.117 810 2HB ALA 104 HB2 ALA 104 -10.625 -17.022 12.349 811 3HB ALA 104 HB3 ALA 104 -10.385 -15.541 11.423 812 H ASN 105 HN ASN 105 -7.957 -15.808 9.440 813 HA ASN 105 HA ASN 105 -8.889 -18.279 8.128 814 1HB ASN 105 HB2 ASN 105 -9.658 -15.741 7.577 815 2HB ASN 105 HB1 ASN 105 -8.312 -15.911 6.457 816 1HD2 ASN 105 HD21 ASN 105 -9.834 -15.761 4.751 817 2HD2 ASN 105 HD22 ASN 105 -10.776 -17.136 4.297 818 H LEU 106 HN LEU 106 -6.189 -16.104 8.467 819 HA LEU 106 HA LEU 106 -4.548 -17.290 6.438 820 1HB LEU 106 HB2 LEU 106 -4.347 -14.946 7.334 821 2HB LEU 106 HB1 LEU 106 -3.712 -15.636 8.809 822 HG LEU 106 HG LEU 106 -2.038 -14.687 7.121 823 1HD1 LEU 106 HD11 LEU 106 -1.335 -17.504 7.730 824 2HD1 LEU 106 HD12 LEU 106 -1.731 -16.434 9.076 825 3HD1 LEU 106 HD13 LEU 106 -0.411 -16.024 7.982 826 1HD2 LEU 106 HD21 LEU 106 -1.539 -15.787 5.190 827 2HD2 LEU 106 HD22 LEU 106 -3.271 -16.103 5.265 828 3HD2 LEU 106 HD23 LEU 106 -2.128 -17.337 5.788 829 H VAL 107 HN VAL 107 -4.270 -19.439 6.761 830 HA VAL 107 HA VAL 107 -2.317 -20.361 8.538 831 HB VAL 107 HB VAL 107 -3.915 -20.050 10.308 832 1HG1 VAL 107 HG11 VAL 107 -6.118 -20.846 10.319 833 2HG1 VAL 107 HG12 VAL 107 -5.839 -21.882 8.918 834 3HG1 VAL 107 HG13 VAL 107 -5.887 -20.131 8.725 835 1HG2 VAL 107 HG21 VAL 107 -3.978 -22.233 11.270 836 2HG2 VAL 107 HG22 VAL 107 -2.496 -22.109 10.320 837 3HG2 VAL 107 HG23 VAL 107 -3.882 -23.000 9.682 Start of MODEL 7 1 1H MET 1 HT1 MET 1 2.172 -7.565 -2.483 2 2H MET 1 HT2 MET 1 2.295 -6.770 -0.966 3 3H MET 1 HT3 MET 1 3.705 -7.069 -1.897 4 HA MET 1 HA MET 1 2.779 -4.760 -1.903 5 1HB MET 1 HB2 MET 1 3.367 -4.523 -4.281 6 2HB MET 1 HB1 MET 1 4.484 -5.594 -3.446 7 1HG MET 1 HG2 MET 1 2.966 -7.485 -4.331 8 2HG MET 1 HG1 MET 1 2.376 -6.262 -5.454 9 1HE MET 1 HE1 MET 1 3.777 -9.035 -5.473 10 2HE MET 1 HE2 MET 1 5.496 -9.078 -5.870 11 3HE MET 1 HE3 MET 1 4.300 -8.859 -7.149 12 H VAL 2 HN VAL 2 0.865 -3.785 -1.820 13 HA VAL 2 HA VAL 2 -1.538 -4.966 -2.713 14 HB VAL 2 HB VAL 2 -1.068 -2.046 -2.097 15 1HG1 VAL 2 HG11 VAL 2 -3.290 -1.723 -2.194 16 2HG1 VAL 2 HG12 VAL 2 -3.651 -3.283 -1.457 17 3HG1 VAL 2 HG13 VAL 2 -3.294 -3.182 -3.177 18 1HG2 VAL 2 HG21 VAL 2 -2.276 -3.786 -0.054 19 2HG2 VAL 2 HG22 VAL 2 -1.118 -2.467 0.116 20 3HG2 VAL 2 HG23 VAL 2 -0.565 -4.068 -0.372 21 H LYS 3 HN LYS 3 -2.849 -4.541 -4.462 22 HA LYS 3 HA LYS 3 -1.858 -2.713 -6.510 23 1HB LYS 3 HB2 LYS 3 -2.383 -4.593 -8.211 24 2HB LYS 3 HB1 LYS 3 -0.851 -4.642 -7.351 25 1HG LYS 3 HG2 LYS 3 -2.849 -6.060 -5.857 26 2HG LYS 3 HG1 LYS 3 -2.797 -6.653 -7.519 27 1HD LYS 3 HD2 LYS 3 -0.170 -6.221 -6.276 28 2HD LYS 3 HD1 LYS 3 -1.146 -7.487 -5.528 29 1HE LYS 3 HE2 LYS 3 0.261 -8.429 -7.264 30 2HE LYS 3 HE1 LYS 3 -1.436 -8.545 -7.726 31 1HZ LYS 3 HZ1 LYS 3 -1.174 -6.674 -9.178 32 2HZ LYS 3 HZ2 LYS 3 0.030 -7.804 -9.544 33 3HZ LYS 3 HZ3 LYS 3 0.416 -6.417 -8.657 34 H GLN 4 HN GLN 4 -3.469 -1.497 -7.145 35 HA GLN 4 HA GLN 4 -6.167 -2.107 -6.440 36 1HB GLN 4 HB2 GLN 4 -5.387 0.190 -6.406 37 2HB GLN 4 HB1 GLN 4 -4.979 0.117 -8.114 38 1HG GLN 4 HG2 GLN 4 -7.054 0.619 -8.732 39 2HG GLN 4 HG1 GLN 4 -7.757 -0.554 -7.620 40 1HE2 GLN 4 HE21 GLN 4 -9.262 0.487 -6.524 41 2HE2 GLN 4 HE22 GLN 4 -9.062 1.999 -5.709 42 H ILE 5 HN ILE 5 -7.660 -3.123 -7.631 43 HA ILE 5 HA ILE 5 -6.973 -3.868 -10.389 44 HB ILE 5 HB ILE 5 -8.795 -5.089 -8.331 45 1HG1 ILE 5 HG12 ILE 5 -7.266 -6.737 -8.216 46 2HG1 ILE 5 HG11 ILE 5 -7.149 -6.861 -9.964 47 1HG2 ILE 5 HG21 ILE 5 -8.902 -5.475 -11.299 48 2HG2 ILE 5 HG22 ILE 5 -10.224 -5.179 -10.170 49 3HG2 ILE 5 HG23 ILE 5 -9.407 -6.741 -10.182 50 1HD1 ILE 5 HD11 ILE 5 -5.010 -6.343 -8.897 51 2HD1 ILE 5 HD12 ILE 5 -5.690 -4.843 -8.272 52 3HD1 ILE 5 HD13 ILE 5 -5.521 -5.077 -10.013 53 H GLU 6 HN GLU 6 -7.723 -2.422 -11.821 54 HA GLU 6 HA GLU 6 -10.291 -1.117 -11.342 55 1HB GLU 6 HB2 GLU 6 -7.900 -0.475 -12.989 56 2HB GLU 6 HB1 GLU 6 -9.457 0.092 -13.574 57 1HG GLU 6 HG2 GLU 6 -9.711 1.587 -11.880 58 2HG GLU 6 HG1 GLU 6 -8.777 0.623 -10.737 59 H SER 7 HN SER 7 -9.779 -3.964 -12.412 60 HA SER 7 HA SER 7 -11.910 -3.865 -14.364 61 1HB SER 7 HB2 SER 7 -10.398 -5.382 -15.903 62 2HB SER 7 HB1 SER 7 -10.303 -3.624 -16.011 63 HG SER 7 HG SER 7 -8.236 -4.623 -15.860 64 H LYS 8 HN LYS 8 -12.658 -6.057 -14.990 65 HA LYS 8 HA LYS 8 -12.724 -7.773 -12.705 66 1HB LYS 8 HB2 LYS 8 -14.685 -7.519 -14.147 67 2HB LYS 8 HB1 LYS 8 -13.798 -8.206 -15.501 68 1HG LYS 8 HG2 LYS 8 -13.638 -10.046 -13.352 69 2HG LYS 8 HG1 LYS 8 -15.321 -9.538 -13.506 70 1HD LYS 8 HD2 LYS 8 -15.487 -10.326 -15.691 71 2HD LYS 8 HD1 LYS 8 -13.738 -10.334 -15.923 72 1HE LYS 8 HE2 LYS 8 -14.866 -12.097 -13.815 73 2HE LYS 8 HE1 LYS 8 -15.127 -12.560 -15.496 74 1HZ LYS 8 HZ1 LYS 8 -12.527 -12.140 -14.132 75 2HZ LYS 8 HZ2 LYS 8 -12.680 -12.341 -15.805 76 3HZ LYS 8 HZ3 LYS 8 -13.138 -13.588 -14.758 77 H THR 9 HN THR 9 -10.822 -7.613 -15.590 78 HA THR 9 HA THR 9 -9.932 -10.353 -15.482 79 HB THR 9 HB THR 9 -8.397 -8.253 -16.951 80 HG1 THR 9 HG1 THR 9 -10.947 -9.208 -17.742 81 1HG2 THR 9 HG21 THR 9 -9.055 -11.121 -17.315 82 2HG2 THR 9 HG22 THR 9 -7.522 -10.272 -17.517 83 3HG2 THR 9 HG23 THR 9 -8.778 -10.133 -18.748 84 H ALA 10 HN ALA 10 -8.849 -7.244 -14.311 85 HA ALA 10 HA ALA 10 -6.204 -7.977 -13.643 86 1HB ALA 10 HB1 ALA 10 -6.305 -5.729 -13.540 87 2HB ALA 10 HB2 ALA 10 -6.758 -6.014 -11.860 88 3HB ALA 10 HB3 ALA 10 -8.006 -5.724 -13.071 89 H PHE 11 HN PHE 11 -9.255 -8.122 -11.849 90 HA PHE 11 HA PHE 11 -8.214 -8.781 -9.337 91 1HB PHE 11 HB2 PHE 11 -10.656 -8.239 -10.029 92 2HB PHE 11 HB1 PHE 11 -10.796 -9.957 -10.378 93 HD1 PHE 11 HD1 PHE 11 -9.006 -8.220 -7.622 94 HD2 PHE 11 HD2 PHE 11 -12.190 -10.814 -8.733 95 HE1 PHE 11 HE1 PHE 11 -9.465 -8.661 -5.251 96 HE2 PHE 11 HE2 PHE 11 -12.656 -11.261 -6.358 97 HZ PHE 11 HZ PHE 11 -11.291 -10.184 -4.614 98 H GLN 12 HN GLN 12 -9.034 -10.828 -12.103 99 HA GLN 12 HA GLN 12 -8.412 -13.290 -10.803 100 1HB GLN 12 HB2 GLN 12 -8.595 -12.555 -13.731 101 2HB GLN 12 HB1 GLN 12 -8.273 -14.186 -13.165 102 1HG GLN 12 HG2 GLN 12 -10.765 -12.556 -12.805 103 2HG GLN 12 HG1 GLN 12 -10.571 -14.083 -13.659 104 1HE2 GLN 12 HE21 GLN 12 -8.901 -15.217 -11.508 105 2HE2 GLN 12 HE22 GLN 12 -9.999 -15.618 -10.238 106 H GLU 13 HN GLU 13 -6.615 -11.113 -12.962 107 HA GLU 13 HA GLU 13 -4.272 -12.590 -13.220 108 1HB GLU 13 HB2 GLU 13 -4.964 -9.696 -13.420 109 2HB GLU 13 HB1 GLU 13 -3.264 -10.137 -13.362 110 1HG GLU 13 HG2 GLU 13 -3.533 -11.543 -15.316 111 2HG GLU 13 HG1 GLU 13 -5.259 -11.183 -15.357 112 H ALA 14 HN ALA 14 -5.166 -10.176 -10.772 113 HA ALA 14 HA ALA 14 -2.712 -10.259 -9.370 114 1HB ALA 14 HB1 ALA 14 -4.818 -8.617 -9.275 115 2HB ALA 14 HB2 ALA 14 -3.656 -8.755 -7.956 116 3HB ALA 14 HB3 ALA 14 -5.188 -9.624 -7.876 117 H LEU 15 HN LEU 15 -5.631 -12.172 -9.237 118 HA LEU 15 HA LEU 15 -5.114 -13.464 -6.763 119 1HB LEU 15 HB2 LEU 15 -6.929 -13.949 -9.083 120 2HB LEU 15 HB1 LEU 15 -6.708 -15.225 -7.903 121 HG LEU 15 HG LEU 15 -7.523 -12.451 -7.079 122 1HD1 LEU 15 HD11 LEU 15 -9.214 -13.052 -8.619 123 2HD1 LEU 15 HD12 LEU 15 -9.856 -13.413 -7.015 124 3HD1 LEU 15 HD13 LEU 15 -9.254 -14.716 -8.039 125 1HD2 LEU 15 HD21 LEU 15 -8.130 -13.438 -5.057 126 2HD2 LEU 15 HD22 LEU 15 -6.625 -14.256 -5.479 127 3HD2 LEU 15 HD23 LEU 15 -8.172 -15.058 -5.750 128 H ASP 16 HN ASP 16 -4.333 -14.200 -10.121 129 HA ASP 16 HA ASP 16 -3.376 -16.812 -9.760 130 1HB ASP 16 HB2 ASP 16 -3.738 -15.213 -11.916 131 2HB ASP 16 HB1 ASP 16 -1.987 -15.117 -11.757 132 H ALA 17 HN ALA 17 -1.906 -13.670 -9.275 133 HA ALA 17 HA ALA 17 0.746 -14.682 -8.858 134 1HB ALA 17 HB1 ALA 17 -0.005 -12.311 -9.610 135 2HB ALA 17 HB2 ALA 17 1.394 -12.483 -8.550 136 3HB ALA 17 HB3 ALA 17 -0.167 -12.008 -7.880 137 H ALA 18 HN ALA 18 -2.087 -14.268 -6.932 138 HA ALA 18 HA ALA 18 -0.859 -14.062 -4.380 139 1HB ALA 18 HB1 ALA 18 -3.082 -14.759 -3.511 140 2HB ALA 18 HB2 ALA 18 -3.609 -14.999 -5.178 141 3HB ALA 18 HB3 ALA 18 -3.140 -13.391 -4.624 142 H GLY 19 HN GLY 19 -1.760 -16.836 -6.425 143 1HA GLY 19 HA2 GLY 19 -1.281 -19.037 -6.204 144 2HA GLY 19 HA1 GLY 19 0.074 -18.530 -5.210 145 H ASP 20 HN ASP 20 0.115 -19.529 -3.353 146 HA ASP 20 HA ASP 20 -2.356 -20.550 -2.200 147 1HB ASP 20 HB2 ASP 20 -0.907 -21.879 -0.762 148 2HB ASP 20 HB1 ASP 20 -0.411 -22.050 -2.443 149 H LYS 21 HN LYS 21 -0.901 -17.675 -2.054 150 HA LYS 21 HA LYS 21 -0.795 -17.260 0.779 151 1HB LYS 21 HB2 LYS 21 -0.752 -15.285 -1.512 152 2HB LYS 21 HB1 LYS 21 -0.438 -14.892 0.174 153 1HG LYS 21 HG2 LYS 21 1.598 -16.006 0.187 154 2HG LYS 21 HG1 LYS 21 1.199 -16.953 -1.248 155 1HD LYS 21 HD2 LYS 21 1.326 -14.944 -2.624 156 2HD LYS 21 HD1 LYS 21 1.681 -13.974 -1.193 157 1HE LYS 21 HE2 LYS 21 3.822 -14.735 -1.040 158 2HE LYS 21 HE1 LYS 21 3.423 -16.312 -1.719 159 1HZ LYS 21 HZ1 LYS 21 3.225 -14.001 -3.491 160 2HZ LYS 21 HZ2 LYS 21 3.721 -15.583 -3.828 161 3HZ LYS 21 HZ3 LYS 21 4.780 -14.510 -3.061 162 H LEU 22 HN LEU 22 -2.232 -15.946 1.972 163 HA LEU 22 HA LEU 22 -4.980 -16.196 1.167 164 1HB LEU 22 HB2 LEU 22 -4.495 -16.531 3.481 165 2HB LEU 22 HB1 LEU 22 -3.619 -15.018 3.587 166 HG LEU 22 HG LEU 22 -5.592 -13.738 3.610 167 1HD1 LEU 22 HD11 LEU 22 -6.677 -15.943 2.091 168 2HD1 LEU 22 HD12 LEU 22 -7.240 -14.277 2.214 169 3HD1 LEU 22 HD13 LEU 22 -7.761 -15.472 3.399 170 1HD2 LEU 22 HD21 LEU 22 -5.157 -14.923 5.702 171 2HD2 LEU 22 HD22 LEU 22 -6.175 -16.257 5.159 172 3HD2 LEU 22 HD23 LEU 22 -6.883 -14.667 5.450 173 H VAL 23 HN VAL 23 -6.230 -14.647 0.247 174 HA VAL 23 HA VAL 23 -4.976 -12.017 -0.151 175 HB VAL 23 HB VAL 23 -7.149 -13.134 -1.896 176 1HG1 VAL 23 HG11 VAL 23 -7.032 -11.014 -2.618 177 2HG1 VAL 23 HG12 VAL 23 -5.546 -11.532 -3.415 178 3HG1 VAL 23 HG13 VAL 23 -5.472 -10.737 -1.843 179 1HG2 VAL 23 HG21 VAL 23 -5.588 -14.763 -2.311 180 2HG2 VAL 23 HG22 VAL 23 -4.228 -13.706 -1.929 181 3HG2 VAL 23 HG23 VAL 23 -5.077 -13.531 -3.464 182 H VAL 24 HN VAL 24 -5.737 -10.612 1.203 183 HA VAL 24 HA VAL 24 -8.600 -10.635 1.845 184 HB VAL 24 HB VAL 24 -7.131 -10.681 3.804 185 1HG1 VAL 24 HG11 VAL 24 -5.208 -9.583 3.885 186 2HG1 VAL 24 HG12 VAL 24 -6.039 -8.039 3.701 187 3HG1 VAL 24 HG13 VAL 24 -5.534 -8.945 2.275 188 1HG2 VAL 24 HG21 VAL 24 -7.984 -7.904 4.067 189 2HG2 VAL 24 HG22 VAL 24 -8.490 -9.337 4.962 190 3HG2 VAL 24 HG23 VAL 24 -9.234 -8.961 3.409 191 H VAL 25 HN VAL 25 -9.776 -9.317 0.666 192 HA VAL 25 HA VAL 25 -8.551 -6.814 -0.272 193 HB VAL 25 HB VAL 25 -10.107 -7.071 -2.287 194 1HG1 VAL 25 HG11 VAL 25 -7.932 -9.139 -2.062 195 2HG1 VAL 25 HG12 VAL 25 -7.611 -7.412 -2.230 196 3HG1 VAL 25 HG13 VAL 25 -8.468 -8.279 -3.504 197 1HG2 VAL 25 HG21 VAL 25 -11.109 -9.063 -2.767 198 2HG2 VAL 25 HG22 VAL 25 -11.221 -9.103 -1.007 199 3HG2 VAL 25 HG23 VAL 25 -9.944 -10.000 -1.831 200 H ASP 26 HN ASP 26 -10.208 -5.193 -0.970 201 HA ASP 26 HA ASP 26 -12.636 -5.330 0.675 202 1HB ASP 26 HB2 ASP 26 -10.932 -4.103 1.958 203 2HB ASP 26 HB1 ASP 26 -10.757 -2.963 0.626 204 H PHE 27 HN PHE 27 -14.424 -4.452 -0.183 205 HA PHE 27 HA PHE 27 -14.213 -3.312 -2.889 206 1HB PHE 27 HB2 PHE 27 -16.287 -4.870 -1.427 207 2HB PHE 27 HB1 PHE 27 -16.849 -3.680 -2.599 208 HD1 PHE 27 HD1 PHE 27 -14.602 -6.603 -2.207 209 HD2 PHE 27 HD2 PHE 27 -16.840 -4.161 -4.882 210 HE1 PHE 27 HE1 PHE 27 -14.126 -8.178 -4.037 211 HE2 PHE 27 HE2 PHE 27 -16.374 -5.735 -6.715 212 HZ PHE 27 HZ PHE 27 -15.014 -7.745 -6.295 213 H SER 28 HN SER 28 -14.193 -1.130 -2.918 214 HA SER 28 HA SER 28 -15.859 0.295 -0.946 215 1HB SER 28 HB2 SER 28 -13.326 1.430 -2.118 216 2HB SER 28 HB1 SER 28 -14.203 1.961 -0.684 217 HG SER 28 HG SER 28 -12.435 0.783 -0.014 218 H ALA 29 HN ALA 29 -15.547 2.834 -1.865 219 HA ALA 29 HA ALA 29 -16.264 2.978 -4.670 220 1HB ALA 29 HB1 ALA 29 -18.343 4.438 -3.703 221 2HB ALA 29 HB2 ALA 29 -18.269 3.133 -2.519 222 3HB ALA 29 HB3 ALA 29 -18.467 2.760 -4.232 223 H THR 30 HN THR 30 -16.276 5.190 -5.467 224 HA THR 30 HA THR 30 -14.391 6.854 -4.090 225 HB THR 30 HB THR 30 -16.100 7.664 -6.442 226 HG1 THR 30 HG1 THR 30 -15.207 5.990 -7.368 227 1HG2 THR 30 HG21 THR 30 -14.763 9.458 -5.554 228 2HG2 THR 30 HG22 THR 30 -14.106 8.932 -7.104 229 3HG2 THR 30 HG23 THR 30 -13.320 8.445 -5.601 230 H TRP 31 HN TRP 31 -17.840 6.754 -4.568 231 HA TRP 31 HA TRP 31 -18.344 9.307 -3.278 232 1HB TRP 31 HB2 TRP 31 -20.684 8.828 -3.764 233 2HB TRP 31 HB1 TRP 31 -19.704 8.505 -5.194 234 HD1 TRP 31 HD1 TRP 31 -19.316 5.890 -5.842 235 HE1 TRP 31 HE1 TRP 31 -20.697 3.780 -5.272 236 HE3 TRP 31 HE3 TRP 31 -22.196 7.770 -2.053 237 HZ2 TRP 31 HZ2 TRP 31 -22.731 3.033 -3.503 238 HZ3 TRP 31 HZ3 TRP 31 -23.838 6.285 -0.978 239 HH2 TRP 31 HH2 TRP 31 -24.094 3.964 -1.691 240 H CYS 32 HN CYS 32 -17.357 6.579 -1.902 241 HA CYS 32 HA CYS 32 -19.416 6.468 0.167 242 1HB CYS 32 HB2 CYS 32 -18.520 4.347 -0.834 243 2HB CYS 32 HB1 CYS 32 -16.966 4.719 -0.092 244 H GLY 33 HN GLY 33 -18.849 6.515 2.420 245 1HA GLY 33 HA2 GLY 33 -16.627 8.387 2.918 246 2HA GLY 33 HA1 GLY 33 -18.067 8.244 3.914 247 HA PRO 34 HA PRO 34 -16.229 5.425 6.754 248 1HB PRO 34 HB2 PRO 34 -18.122 3.281 5.928 249 2HB PRO 34 HB1 PRO 34 -17.797 3.935 7.538 250 1HG PRO 34 HG2 PRO 34 -20.033 4.571 6.242 251 2HG PRO 34 HG1 PRO 34 -19.167 5.781 7.207 252 1HD PRO 34 HD2 PRO 34 -19.258 5.430 4.242 253 2HD PRO 34 HD1 PRO 34 -19.217 6.923 5.201 254 H CYS 35 HN CYS 35 -16.827 4.242 3.515 255 HA CYS 35 HA CYS 35 -15.320 1.893 3.555 256 1HB CYS 35 HB2 CYS 35 -15.718 3.815 1.253 257 2HB CYS 35 HB1 CYS 35 -15.175 2.146 1.111 258 H LYS 36 HN LYS 36 -14.334 5.220 2.829 259 HA LYS 36 HA LYS 36 -11.662 4.608 2.154 260 1HB LYS 36 HB2 LYS 36 -13.258 7.015 2.634 261 2HB LYS 36 HB1 LYS 36 -11.570 7.192 3.097 262 1HG LYS 36 HG2 LYS 36 -11.357 7.802 0.939 263 2HG LYS 36 HG1 LYS 36 -11.238 6.057 0.701 264 1HD LYS 36 HD2 LYS 36 -13.564 5.922 0.116 265 2HD LYS 36 HD1 LYS 36 -13.813 7.619 0.531 266 1HE LYS 36 HE2 LYS 36 -11.727 7.019 -1.482 267 2HE LYS 36 HE1 LYS 36 -13.402 6.773 -1.973 268 1HZ LYS 36 HZ1 LYS 36 -13.883 8.989 -1.770 269 2HZ LYS 36 HZ2 LYS 36 -12.272 9.076 -2.281 270 3HZ LYS 36 HZ3 LYS 36 -12.654 9.284 -0.647 271 H MET 37 HN MET 37 -13.274 4.947 5.209 272 HA MET 37 HA MET 37 -11.020 5.586 6.788 273 1HB MET 37 HB2 MET 37 -13.644 4.268 7.479 274 2HB MET 37 HB1 MET 37 -12.433 4.705 8.677 275 1HG MET 37 HG2 MET 37 -13.817 6.616 6.810 276 2HG MET 37 HG1 MET 37 -14.212 6.369 8.511 277 1HE MET 37 HE1 MET 37 -13.521 9.561 8.333 278 2HE MET 37 HE2 MET 37 -12.670 9.280 9.851 279 3HE MET 37 HE3 MET 37 -14.101 8.330 9.452 280 H ILE 38 HN ILE 38 -11.978 2.633 5.280 281 HA ILE 38 HA ILE 38 -10.516 0.963 7.157 282 HB ILE 38 HB ILE 38 -11.659 0.150 4.488 283 1HG1 ILE 38 HG12 ILE 38 -13.366 1.221 6.005 284 2HG1 ILE 38 HG11 ILE 38 -13.707 -0.449 5.567 285 1HG2 ILE 38 HG21 ILE 38 -11.857 -2.024 6.015 286 2HG2 ILE 38 HG22 ILE 38 -10.475 -1.261 6.801 287 3HG2 ILE 38 HG23 ILE 38 -10.411 -1.643 5.080 288 1HD1 ILE 38 HD11 ILE 38 -13.548 -1.165 7.681 289 2HD1 ILE 38 HD12 ILE 38 -13.839 0.529 8.071 290 3HD1 ILE 38 HD13 ILE 38 -12.192 -0.101 8.054 291 H LYS 39 HN LYS 39 -9.985 2.606 4.148 292 HA LYS 39 HA LYS 39 -7.960 1.125 2.989 293 1HB LYS 39 HB2 LYS 39 -8.840 3.929 2.892 294 2HB LYS 39 HB1 LYS 39 -7.150 3.686 2.468 295 1HG LYS 39 HG2 LYS 39 -7.647 2.490 0.583 296 2HG LYS 39 HG1 LYS 39 -9.196 1.927 1.216 297 1HD LYS 39 HD2 LYS 39 -10.179 4.098 0.882 298 2HD LYS 39 HD1 LYS 39 -8.618 4.777 0.413 299 1HE LYS 39 HE2 LYS 39 -9.909 2.511 -1.083 300 2HE LYS 39 HE1 LYS 39 -10.242 4.201 -1.461 301 1HZ LYS 39 HZ1 LYS 39 -8.398 2.981 -2.740 302 2HZ LYS 39 HZ2 LYS 39 -7.465 3.218 -1.348 303 3HZ LYS 39 HZ3 LYS 39 -8.088 4.548 -2.184 304 HA PRO 40 HA PRO 40 -4.786 3.902 5.632 305 1HB PRO 40 HB2 PRO 40 -6.558 3.960 8.038 306 2HB PRO 40 HB1 PRO 40 -5.360 5.140 7.494 307 1HG PRO 40 HG2 PRO 40 -7.945 5.598 7.117 308 2HG PRO 40 HG1 PRO 40 -6.764 6.011 5.860 309 1HD PRO 40 HD2 PRO 40 -8.691 3.737 5.977 310 2HD PRO 40 HD1 PRO 40 -8.117 4.662 4.575 311 H PHE 41 HN PHE 41 -6.969 1.764 7.514 312 HA PHE 41 HA PHE 41 -4.742 0.478 8.797 313 1HB PHE 41 HB2 PHE 41 -7.579 -0.527 8.788 314 2HB PHE 41 HB1 PHE 41 -6.341 -0.762 10.016 315 HD1 PHE 41 HD1 PHE 41 -5.429 1.510 11.058 316 HD2 PHE 41 HD2 PHE 41 -9.226 1.000 9.206 317 HE1 PHE 41 HE1 PHE 41 -6.286 3.460 12.289 318 HE2 PHE 41 HE2 PHE 41 -10.089 2.951 10.432 319 HZ PHE 41 HZ PHE 41 -8.619 4.184 11.976 320 H PHE 42 HN PHE 42 -6.719 -0.217 5.983 321 HA PHE 42 HA PHE 42 -6.173 -2.990 5.833 322 1HB PHE 42 HB2 PHE 42 -7.868 -1.428 4.510 323 2HB PHE 42 HB1 PHE 42 -6.551 -1.387 3.344 324 HD1 PHE 42 HD1 PHE 42 -8.682 -3.746 5.269 325 HD2 PHE 42 HD2 PHE 42 -6.338 -3.085 1.779 326 HE1 PHE 42 HE1 PHE 42 -9.460 -5.889 4.346 327 HE2 PHE 42 HE2 PHE 42 -7.110 -5.230 0.850 328 HZ PHE 42 HZ PHE 42 -8.675 -6.634 2.133 329 H HIS 43 HN HIS 43 -4.626 -0.151 4.403 330 HA HIS 43 HA HIS 43 -2.655 -1.568 2.960 331 1HB HIS 43 HB2 HIS 43 -3.465 1.097 3.207 332 2HB HIS 43 HB1 HIS 43 -1.786 1.082 3.739 333 HD1 HIS 43 HD1 HIS 43 -3.880 0.938 0.705 334 HD2 HIS 43 HD2 HIS 43 0.056 0.123 1.761 335 HE1 HIS 43 HE1 HIS 43 -2.578 0.797 -1.459 336 H SER 44 HN SER 44 -2.607 -0.077 6.201 337 HA SER 44 HA SER 44 0.116 -0.444 6.715 338 1HB SER 44 HB2 SER 44 -0.887 -0.633 9.197 339 2HB SER 44 HB1 SER 44 -0.801 0.899 8.327 340 HG SER 44 HG SER 44 -2.918 0.874 8.032 341 H LEU 45 HN LEU 45 -2.649 -2.581 7.311 342 HA LEU 45 HA LEU 45 -1.261 -4.608 8.655 343 1HB LEU 45 HB2 LEU 45 -3.688 -4.777 6.861 344 2HB LEU 45 HB1 LEU 45 -3.118 -6.090 7.873 345 HG LEU 45 HG LEU 45 -3.749 -3.453 9.129 346 1HD1 LEU 45 HD11 LEU 45 -5.858 -5.549 8.721 347 2HD1 LEU 45 HD12 LEU 45 -5.652 -4.201 7.603 348 3HD1 LEU 45 HD13 LEU 45 -6.039 -3.892 9.295 349 1HD2 LEU 45 HD21 LEU 45 -3.760 -4.615 11.069 350 2HD2 LEU 45 HD22 LEU 45 -2.733 -5.712 10.145 351 3HD2 LEU 45 HD23 LEU 45 -4.453 -6.059 10.330 352 H SER 46 HN SER 46 -1.785 -3.989 5.228 353 HA SER 46 HA SER 46 -0.765 -6.332 4.138 354 1HB SER 46 HB2 SER 46 -1.935 -4.604 2.830 355 2HB SER 46 HB1 SER 46 -0.566 -3.516 3.044 356 HG SER 46 HG SER 46 0.707 -4.959 1.863 357 H GLU 47 HN GLU 47 0.885 -3.620 5.601 358 HA GLU 47 HA GLU 47 3.459 -4.431 4.543 359 1HB GLU 47 HB2 GLU 47 2.701 -2.231 6.470 360 2HB GLU 47 HB1 GLU 47 4.326 -2.512 5.857 361 1HG GLU 47 HG2 GLU 47 3.834 -1.728 3.776 362 2HG GLU 47 HG1 GLU 47 2.133 -2.174 3.888 363 H LYS 48 HN LYS 48 1.535 -5.090 7.300 364 HA LYS 48 HA LYS 48 3.851 -5.944 8.878 365 1HB LYS 48 HB2 LYS 48 2.094 -4.690 10.053 366 2HB LYS 48 HB1 LYS 48 0.907 -5.896 9.579 367 1HG LYS 48 HG2 LYS 48 2.969 -7.302 10.861 368 2HG LYS 48 HG1 LYS 48 2.667 -5.865 11.840 369 1HD LYS 48 HD2 LYS 48 0.810 -6.779 12.654 370 2HD LYS 48 HD1 LYS 48 0.163 -6.974 11.024 371 1HE LYS 48 HE2 LYS 48 1.226 -9.114 10.797 372 2HE LYS 48 HE1 LYS 48 2.078 -8.903 12.327 373 1HZ LYS 48 HZ1 LYS 48 0.063 -9.081 13.522 374 2HZ LYS 48 HZ2 LYS 48 0.064 -10.356 12.411 375 3HZ LYS 48 HZ3 LYS 48 -0.878 -8.982 12.119 376 H TYR 49 HN TYR 49 1.410 -7.153 6.812 377 HA TYR 49 HA TYR 49 1.793 -9.926 7.692 378 1HB TYR 49 HB2 TYR 49 -0.251 -8.492 6.049 379 2HB TYR 49 HB1 TYR 49 0.012 -10.204 5.746 380 HD1 TYR 49 HD1 TYR 49 -0.868 -11.857 7.212 381 HD2 TYR 49 HD2 TYR 49 -0.974 -7.748 8.331 382 HE1 TYR 49 HE1 TYR 49 -2.356 -12.408 9.090 383 HE2 TYR 49 HE2 TYR 49 -2.461 -8.294 10.210 384 HH TYR 49 HH TYR 49 -4.223 -10.383 10.611 385 H SER 50 HN SER 50 3.858 -10.388 6.865 386 HA SER 50 HA SER 50 4.376 -9.925 4.037 387 1HB SER 50 HB2 SER 50 6.630 -10.712 4.501 388 2HB SER 50 HB1 SER 50 6.162 -9.536 5.727 389 HG SER 50 HG SER 50 7.100 -11.869 6.202 390 H ASN 51 HN ASN 51 2.268 -11.543 4.180 391 HA ASN 51 HA ASN 51 3.261 -14.000 3.028 392 1HB ASN 51 HB2 ASN 51 2.965 -14.345 5.559 393 2HB ASN 51 HB1 ASN 51 1.237 -14.227 5.245 394 1HD2 ASN 51 HD21 ASN 51 3.373 -16.394 5.945 395 2HD2 ASN 51 HD22 ASN 51 2.884 -17.728 4.961 396 H VAL 52 HN VAL 52 0.479 -12.074 4.031 397 HA VAL 52 HA VAL 52 -1.192 -13.254 1.953 398 HB VAL 52 HB VAL 52 -3.035 -12.106 2.972 399 1HG1 VAL 52 HG11 VAL 52 -1.422 -12.948 5.341 400 2HG1 VAL 52 HG12 VAL 52 -1.890 -14.128 4.117 401 3HG1 VAL 52 HG13 VAL 52 -3.128 -13.227 4.994 402 1HG2 VAL 52 HG21 VAL 52 -2.093 -10.806 5.222 403 2HG2 VAL 52 HG22 VAL 52 -2.666 -10.042 3.740 404 3HG2 VAL 52 HG23 VAL 52 -0.945 -10.346 3.965 405 H ILE 53 HN ILE 53 -2.346 -11.971 0.429 406 HA ILE 53 HA ILE 53 -0.863 -9.556 -0.332 407 HB ILE 53 HB ILE 53 -1.063 -11.588 -1.912 408 1HG1 ILE 53 HG12 ILE 53 -1.491 -9.904 -3.874 409 2HG1 ILE 53 HG11 ILE 53 -1.497 -8.710 -2.581 410 1HG2 ILE 53 HG21 ILE 53 -2.981 -11.800 -3.265 411 2HG2 ILE 53 HG22 ILE 53 -3.701 -10.333 -2.604 412 3HG2 ILE 53 HG23 ILE 53 -3.556 -11.777 -1.599 413 1HD1 ILE 53 HD11 ILE 53 0.742 -9.647 -1.887 414 2HD1 ILE 53 HD12 ILE 53 0.698 -8.765 -3.414 415 3HD1 ILE 53 HD13 ILE 53 0.736 -10.527 -3.415 416 H PHE 54 HN PHE 54 -1.763 -7.745 0.232 417 HA PHE 54 HA PHE 54 -4.661 -7.517 0.577 418 1HB PHE 54 HB2 PHE 54 -2.256 -5.947 1.416 419 2HB PHE 54 HB1 PHE 54 -3.770 -5.094 1.242 420 HD1 PHE 54 HD1 PHE 54 -2.543 -8.252 2.887 421 HD2 PHE 54 HD2 PHE 54 -4.948 -4.744 3.120 422 HE1 PHE 54 HE1 PHE 54 -3.159 -8.821 5.205 423 HE2 PHE 54 HE2 PHE 54 -5.574 -5.317 5.428 424 HZ PHE 54 HZ PHE 54 -4.676 -7.355 6.475 425 H LEU 55 HN LEU 55 -5.809 -6.835 -1.220 426 HA LEU 55 HA LEU 55 -4.507 -4.771 -2.822 427 1HB LEU 55 HB2 LEU 55 -4.722 -5.780 -4.763 428 2HB LEU 55 HB1 LEU 55 -4.786 -7.245 -3.803 429 HG LEU 55 HG LEU 55 -7.440 -6.518 -3.975 430 1HD1 LEU 55 HD11 LEU 55 -6.129 -5.975 -6.637 431 2HD1 LEU 55 HD12 LEU 55 -6.830 -4.745 -5.587 432 3HD1 LEU 55 HD13 LEU 55 -7.859 -5.988 -6.298 433 1HD2 LEU 55 HD21 LEU 55 -7.519 -8.337 -5.701 434 2HD2 LEU 55 HD22 LEU 55 -6.655 -8.762 -4.224 435 3HD2 LEU 55 HD23 LEU 55 -5.756 -8.343 -5.682 436 H GLU 56 HN GLU 56 -6.017 -3.538 -4.208 437 HA GLU 56 HA GLU 56 -8.438 -2.972 -2.635 438 1HB GLU 56 HB2 GLU 56 -6.314 -1.403 -3.022 439 2HB GLU 56 HB1 GLU 56 -7.254 -0.957 -4.437 440 1HG GLU 56 HG2 GLU 56 -8.035 0.592 -2.977 441 2HG GLU 56 HG1 GLU 56 -9.176 -0.709 -2.641 442 H VAL 57 HN VAL 57 -10.300 -3.416 -3.618 443 HA VAL 57 HA VAL 57 -10.408 -3.112 -6.547 444 HB VAL 57 HB VAL 57 -12.420 -4.753 -5.055 445 1HG1 VAL 57 HG11 VAL 57 -12.549 -5.885 -7.229 446 2HG1 VAL 57 HG12 VAL 57 -11.288 -4.818 -7.846 447 3HG1 VAL 57 HG13 VAL 57 -12.849 -4.152 -7.365 448 1HG2 VAL 57 HG21 VAL 57 -10.726 -6.643 -6.024 449 2HG2 VAL 57 HG22 VAL 57 -10.755 -6.101 -4.347 450 3HG2 VAL 57 HG23 VAL 57 -9.584 -5.416 -5.475 451 H ASP 58 HN ASP 58 -11.474 -1.398 -7.179 452 HA ASP 58 HA ASP 58 -13.494 -0.222 -5.416 453 1HB ASP 58 HB2 ASP 58 -11.727 1.284 -6.182 454 2HB ASP 58 HB1 ASP 58 -12.095 0.892 -7.859 455 H VAL 59 HN VAL 59 -15.560 -0.634 -5.816 456 HA VAL 59 HA VAL 59 -16.418 -2.211 -7.941 457 HB VAL 59 HB VAL 59 -17.642 -2.010 -5.817 458 1HG1 VAL 59 HG11 VAL 59 -17.362 0.587 -5.904 459 2HG1 VAL 59 HG12 VAL 59 -18.773 -0.133 -5.129 460 3HG1 VAL 59 HG13 VAL 59 -18.902 0.522 -6.761 461 1HG2 VAL 59 HG21 VAL 59 -18.705 -2.844 -7.932 462 2HG2 VAL 59 HG22 VAL 59 -19.414 -1.241 -8.127 463 3HG2 VAL 59 HG23 VAL 59 -19.832 -2.225 -6.724 464 H ASP 60 HN ASP 60 -15.800 1.158 -7.895 465 HA ASP 60 HA ASP 60 -17.626 1.958 -9.911 466 1HB ASP 60 HB2 ASP 60 -16.106 3.382 -8.282 467 2HB ASP 60 HB1 ASP 60 -14.963 3.289 -9.617 468 H ASP 61 HN ASP 61 -14.378 0.651 -9.919 469 HA ASP 61 HA ASP 61 -14.308 0.692 -12.854 470 1HB ASP 61 HB2 ASP 61 -12.109 -0.051 -10.913 471 2HB ASP 61 HB1 ASP 61 -11.939 0.212 -12.647 472 H ALA 62 HN ALA 62 -14.292 -1.444 -10.079 473 HA ALA 62 HA ALA 62 -14.185 -3.809 -11.789 474 1HB ALA 62 HB1 ALA 62 -13.328 -4.919 -10.024 475 2HB ALA 62 HB2 ALA 62 -14.454 -4.175 -8.887 476 3HB ALA 62 HB3 ALA 62 -13.008 -3.302 -9.396 477 H GLN 63 HN GLN 63 -16.457 -2.300 -12.115 478 HA GLN 63 HA GLN 63 -18.617 -3.101 -10.465 479 1HB GLN 63 HB2 GLN 63 -18.419 -1.103 -12.113 480 2HB GLN 63 HB1 GLN 63 -18.953 -2.259 -13.326 481 1HG GLN 63 HG2 GLN 63 -21.054 -2.415 -12.459 482 2HG GLN 63 HG1 GLN 63 -20.527 -2.034 -10.821 483 1HE2 GLN 63 HE21 GLN 63 -22.241 -0.537 -10.656 484 2HE2 GLN 63 HE22 GLN 63 -22.147 1.015 -11.407 485 H ASP 64 HN ASP 64 -16.860 -4.842 -12.765 486 HA ASP 64 HA ASP 64 -19.126 -6.521 -13.520 487 1HB ASP 64 HB2 ASP 64 -16.313 -6.227 -14.501 488 2HB ASP 64 HB1 ASP 64 -17.182 -7.728 -14.813 489 H VAL 65 HN VAL 65 -16.445 -6.505 -11.319 490 HA VAL 65 HA VAL 65 -16.429 -9.363 -10.960 491 HB VAL 65 HB VAL 65 -15.049 -8.774 -8.862 492 1HG1 VAL 65 HG11 VAL 65 -13.108 -8.030 -10.512 493 2HG1 VAL 65 HG12 VAL 65 -14.302 -8.506 -11.719 494 3HG1 VAL 65 HG13 VAL 65 -13.764 -9.668 -10.507 495 1HG2 VAL 65 HG21 VAL 65 -15.753 -6.401 -8.769 496 2HG2 VAL 65 HG22 VAL 65 -14.877 -6.117 -10.271 497 3HG2 VAL 65 HG23 VAL 65 -14.004 -6.610 -8.822 498 H ALA 66 HN ALA 66 -17.626 -6.580 -9.022 499 HA ALA 66 HA ALA 66 -18.528 -7.885 -6.807 500 1HB ALA 66 HB1 ALA 66 -18.979 -5.378 -8.073 501 2HB ALA 66 HB2 ALA 66 -19.182 -5.807 -6.375 502 3HB ALA 66 HB3 ALA 66 -20.526 -6.000 -7.499 503 HA PRO 67 HA PRO 67 -22.878 -8.619 -9.039 504 1HB PRO 67 HB2 PRO 67 -21.736 -8.826 -11.796 505 2HB PRO 67 HB1 PRO 67 -23.319 -8.234 -11.276 506 1HG PRO 67 HG2 PRO 67 -21.449 -6.498 -11.968 507 2HG PRO 67 HG1 PRO 67 -22.454 -6.189 -10.541 508 1HD PRO 67 HD2 PRO 67 -19.636 -7.178 -10.704 509 2HD PRO 67 HD1 PRO 67 -20.362 -6.017 -9.574 510 H LYS 68 HN LYS 68 -19.796 -9.951 -10.015 511 HA LYS 68 HA LYS 68 -20.813 -12.592 -10.545 512 1HB LYS 68 HB2 LYS 68 -18.195 -11.248 -10.624 513 2HB LYS 68 HB1 LYS 68 -18.134 -12.944 -10.166 514 1HG LYS 68 HG2 LYS 68 -19.402 -13.506 -12.208 515 2HG LYS 68 HG1 LYS 68 -19.335 -11.806 -12.680 516 1HD LYS 68 HD2 LYS 68 -17.164 -11.930 -13.294 517 2HD LYS 68 HD1 LYS 68 -16.750 -13.039 -11.986 518 1HE LYS 68 HE2 LYS 68 -18.483 -14.073 -14.157 519 2HE LYS 68 HE1 LYS 68 -16.788 -13.786 -14.545 520 1HZ LYS 68 HZ1 LYS 68 -16.335 -15.126 -12.431 521 2HZ LYS 68 HZ2 LYS 68 -16.832 -15.969 -13.811 522 3HZ LYS 68 HZ3 LYS 68 -17.935 -15.654 -12.570 523 H TYR 69 HN TYR 69 -20.013 -10.820 -7.738 524 HA TYR 69 HA TYR 69 -19.794 -13.290 -6.126 525 1HB TYR 69 HB2 TYR 69 -18.649 -10.527 -5.686 526 2HB TYR 69 HB1 TYR 69 -18.661 -11.782 -4.459 527 HD1 TYR 69 HD1 TYR 69 -17.712 -14.146 -5.487 528 HD2 TYR 69 HD2 TYR 69 -16.656 -10.230 -6.770 529 HE1 TYR 69 HE1 TYR 69 -15.599 -15.017 -6.393 530 HE2 TYR 69 HE2 TYR 69 -14.542 -11.091 -7.679 531 HH TYR 69 HH TYR 69 -13.031 -13.054 -7.275 532 H GLY 70 HN GLY 70 -21.775 -10.718 -6.889 533 1HA GLY 70 HA2 GLY 70 -23.765 -9.970 -6.015 534 2HA GLY 70 HA1 GLY 70 -23.720 -11.374 -4.962 535 H ILE 71 HN ILE 71 -21.382 -8.688 -5.074 536 HA ILE 71 HA ILE 71 -21.596 -8.350 -2.222 537 HB ILE 71 HB ILE 71 -20.086 -6.665 -4.226 538 1HG1 ILE 71 HG12 ILE 71 -18.991 -8.873 -2.482 539 2HG1 ILE 71 HG11 ILE 71 -19.487 -9.127 -4.154 540 1HG2 ILE 71 HG21 ILE 71 -20.645 -6.110 -1.593 541 2HG2 ILE 71 HG22 ILE 71 -19.309 -5.440 -2.528 542 3HG2 ILE 71 HG23 ILE 71 -19.050 -6.856 -1.509 543 1HD1 ILE 71 HD11 ILE 71 -17.319 -8.710 -4.555 544 2HD1 ILE 71 HD12 ILE 71 -17.106 -7.793 -3.063 545 3HD1 ILE 71 HD13 ILE 71 -17.845 -7.028 -4.470 546 H ARG 72 HN ARG 72 -23.883 -7.763 -2.176 547 HA ARG 72 HA ARG 72 -24.627 -5.218 -3.337 548 1HB ARG 72 HB2 ARG 72 -26.218 -7.084 -3.321 549 2HB ARG 72 HB1 ARG 72 -26.185 -7.107 -1.564 550 1HG ARG 72 HG2 ARG 72 -27.049 -4.738 -1.637 551 2HG ARG 72 HG1 ARG 72 -27.312 -4.984 -3.366 552 1HD ARG 72 HD2 ARG 72 -28.522 -7.177 -2.445 553 2HD ARG 72 HD1 ARG 72 -28.737 -6.139 -1.037 554 HE ARG 72 HE ARG 72 -30.275 -4.926 -2.214 555 1HH1 ARG 72 HH11 ARG 72 -28.430 -6.865 -4.456 556 2HH1 ARG 72 HH12 ARG 72 -29.432 -6.472 -5.812 557 1HH2 ARG 72 HH21 ARG 72 -31.601 -4.424 -3.994 558 2HH2 ARG 72 HH22 ARG 72 -31.231 -5.090 -5.550 559 H GLY 73 HN GLY 73 -23.044 -3.973 -2.146 560 1HA GLY 73 HA2 GLY 73 -23.809 -2.190 -0.398 561 2HA GLY 73 HA1 GLY 73 -23.678 -3.556 0.693 562 H ILE 74 HN ILE 74 -22.261 -1.289 1.177 563 HA ILE 74 HA ILE 74 -19.520 -2.252 0.979 564 HB ILE 74 HB ILE 74 -18.713 0.036 0.325 565 1HG1 ILE 74 HG12 ILE 74 -21.614 0.415 -0.469 566 2HG1 ILE 74 HG11 ILE 74 -20.820 1.237 0.872 567 1HG2 ILE 74 HG21 ILE 74 -20.451 -1.187 -1.801 568 2HG2 ILE 74 HG22 ILE 74 -18.988 -1.972 -1.210 569 3HG2 ILE 74 HG23 ILE 74 -18.887 -0.393 -1.985 570 1HD1 ILE 74 HD11 ILE 74 -19.479 1.518 -1.720 571 2HD1 ILE 74 HD12 ILE 74 -19.817 2.719 -0.474 572 3HD1 ILE 74 HD13 ILE 74 -21.079 2.251 -1.615 573 HA PRO 75 HA PRO 75 -17.546 -1.231 1.457 574 1HB PRO 75 HB2 PRO 75 -15.645 -1.308 3.319 575 2HB PRO 75 HB1 PRO 75 -16.293 0.240 2.771 576 1HG PRO 75 HG2 PRO 75 -16.890 -1.284 5.266 577 2HG PRO 75 HG1 PRO 75 -16.687 0.462 5.040 578 1HD PRO 75 HD2 PRO 75 -19.125 -0.871 5.183 579 2HD PRO 75 HD1 PRO 75 -18.878 0.746 4.497 580 H THR 76 HN THR 76 -17.649 -3.328 0.822 581 HA THR 76 HA THR 76 -17.910 -5.441 2.790 582 HB THR 76 HB THR 76 -17.535 -6.067 -0.090 583 HG1 THR 76 HG1 THR 76 -18.946 -4.560 -0.555 584 1HG2 THR 76 HG21 THR 76 -19.490 -7.533 0.352 585 2HG2 THR 76 HG22 THR 76 -19.432 -7.017 2.038 586 3HG2 THR 76 HG23 THR 76 -18.072 -7.892 1.336 587 H LEU 77 HN LEU 77 -16.387 -6.898 3.342 588 HA LEU 77 HA LEU 77 -13.710 -6.537 2.173 589 1HB LEU 77 HB2 LEU 77 -14.600 -6.689 4.893 590 2HB LEU 77 HB1 LEU 77 -13.586 -8.082 4.564 591 HG LEU 77 HG LEU 77 -11.847 -6.448 3.687 592 1HD1 LEU 77 HD11 LEU 77 -13.231 -4.374 5.318 593 2HD1 LEU 77 HD12 LEU 77 -13.697 -4.599 3.633 594 3HD1 LEU 77 HD13 LEU 77 -12.030 -4.187 4.040 595 1HD2 LEU 77 HD21 LEU 77 -12.215 -7.508 6.129 596 2HD2 LEU 77 HD22 LEU 77 -12.258 -5.792 6.534 597 3HD2 LEU 77 HD23 LEU 77 -10.851 -6.470 5.714 598 H LEU 78 HN LEU 78 -12.955 -8.125 0.975 599 HA LEU 78 HA LEU 78 -14.333 -10.720 1.117 600 1HB LEU 78 HB2 LEU 78 -13.186 -9.154 -1.159 601 2HB LEU 78 HB1 LEU 78 -13.304 -10.894 -1.290 602 HG LEU 78 HG LEU 78 -15.493 -8.849 -1.197 603 1HD1 LEU 78 HD11 LEU 78 -16.049 -9.637 -3.244 604 2HD1 LEU 78 HD12 LEU 78 -15.575 -11.292 -2.861 605 3HD1 LEU 78 HD13 LEU 78 -14.346 -10.091 -3.257 606 1HD2 LEU 78 HD21 LEU 78 -16.371 -10.231 0.449 607 2HD2 LEU 78 HD22 LEU 78 -15.670 -11.687 -0.256 608 3HD2 LEU 78 HD23 LEU 78 -17.047 -10.907 -1.033 609 H LEU 79 HN LEU 79 -13.229 -12.527 1.423 610 HA LEU 79 HA LEU 79 -10.297 -12.350 1.540 611 1HB LEU 79 HB2 LEU 79 -12.314 -13.530 3.332 612 2HB LEU 79 HB1 LEU 79 -10.937 -14.564 3.015 613 HG LEU 79 HG LEU 79 -10.741 -13.184 5.081 614 1HD1 LEU 79 HD11 LEU 79 -8.768 -13.122 2.859 615 2HD1 LEU 79 HD12 LEU 79 -8.685 -13.927 4.426 616 3HD1 LEU 79 HD13 LEU 79 -8.435 -12.184 4.316 617 1HD2 LEU 79 HD21 LEU 79 -11.827 -11.172 3.788 618 2HD2 LEU 79 HD22 LEU 79 -10.147 -10.809 3.389 619 3HD2 LEU 79 HD23 LEU 79 -10.655 -10.898 5.076 620 H PHE 80 HN PHE 80 -9.294 -13.466 -0.009 621 HA PHE 80 HA PHE 80 -10.728 -15.722 -1.241 622 1HB PHE 80 HB2 PHE 80 -8.834 -13.677 -2.349 623 2HB PHE 80 HB1 PHE 80 -9.057 -15.214 -3.168 624 HD1 PHE 80 HD1 PHE 80 -10.648 -12.068 -2.181 625 HD2 PHE 80 HD2 PHE 80 -11.097 -15.711 -4.340 626 HE1 PHE 80 HE1 PHE 80 -12.651 -11.160 -3.287 627 HE2 PHE 80 HE2 PHE 80 -13.100 -14.809 -5.451 628 HZ PHE 80 HZ PHE 80 -13.881 -12.532 -4.924 629 H LYS 81 HN LYS 81 -9.642 -17.607 -1.736 630 HA LYS 81 HA LYS 81 -6.877 -17.946 -0.879 631 1HB LYS 81 HB2 LYS 81 -8.785 -18.498 0.945 632 2HB LYS 81 HB1 LYS 81 -8.741 -20.036 0.095 633 1HG LYS 81 HG2 LYS 81 -6.749 -20.599 0.955 634 2HG LYS 81 HG1 LYS 81 -6.111 -18.959 0.816 635 1HD LYS 81 HD2 LYS 81 -7.640 -18.380 2.776 636 2HD LYS 81 HD1 LYS 81 -7.829 -20.121 2.994 637 1HE LYS 81 HE2 LYS 81 -5.295 -18.503 3.159 638 2HE LYS 81 HE1 LYS 81 -6.086 -19.405 4.452 639 1HZ LYS 81 HZ1 LYS 81 -4.278 -20.704 3.724 640 2HZ LYS 81 HZ2 LYS 81 -4.662 -20.493 2.092 641 3HZ LYS 81 HZ3 LYS 81 -5.656 -21.442 3.078 642 H ASN 82 HN ASN 82 -5.953 -18.842 -2.635 643 HA ASN 82 HA ASN 82 -5.594 -20.198 -4.436 644 1HB ASN 82 HB2 ASN 82 -7.716 -22.040 -3.346 645 2HB ASN 82 HB1 ASN 82 -6.297 -22.457 -4.300 646 1HD2 ASN 82 HD21 ASN 82 -4.228 -21.417 -3.109 647 2HD2 ASN 82 HD22 ASN 82 -4.074 -21.941 -1.470 648 H GLY 83 HN GLY 83 -7.240 -18.093 -4.906 649 1HA GLY 83 HA2 GLY 83 -8.613 -17.323 -6.578 650 2HA GLY 83 HA1 GLY 83 -8.642 -18.956 -7.214 651 H GLU 84 HN GLU 84 -9.654 -19.147 -4.051 652 HA GLU 84 HA GLU 84 -12.466 -18.787 -4.851 653 1HB GLU 84 HB2 GLU 84 -11.420 -21.204 -4.536 654 2HB GLU 84 HB1 GLU 84 -11.745 -20.868 -2.842 655 1HG GLU 84 HG2 GLU 84 -14.116 -20.210 -3.774 656 2HG GLU 84 HG1 GLU 84 -13.636 -21.274 -5.094 657 H VAL 85 HN VAL 85 -13.824 -17.846 -3.447 658 HA VAL 85 HA VAL 85 -12.775 -16.237 -1.358 659 HB VAL 85 HB VAL 85 -15.672 -16.938 -1.867 660 1HG1 VAL 85 HG11 VAL 85 -14.455 -14.547 -0.490 661 2HG1 VAL 85 HG12 VAL 85 -15.193 -15.920 0.336 662 3HG1 VAL 85 HG13 VAL 85 -16.173 -14.882 -0.700 663 1HG2 VAL 85 HG21 VAL 85 -15.794 -15.245 -3.430 664 2HG2 VAL 85 HG22 VAL 85 -14.197 -15.913 -3.763 665 3HG2 VAL 85 HG23 VAL 85 -14.355 -14.432 -2.816 666 H ALA 86 HN ALA 86 -12.190 -16.958 0.636 667 HA ALA 86 HA ALA 86 -13.638 -19.266 1.740 668 1HB ALA 86 HB1 ALA 86 -11.718 -20.154 2.520 669 2HB ALA 86 HB2 ALA 86 -11.027 -18.579 2.910 670 3HB ALA 86 HB3 ALA 86 -11.000 -19.165 1.247 671 H ALA 87 HN ALA 87 -13.897 -16.174 1.947 672 HA ALA 87 HA ALA 87 -15.051 -16.139 4.516 673 1HB ALA 87 HB1 ALA 87 -12.237 -15.557 4.429 674 2HB ALA 87 HB2 ALA 87 -13.308 -15.714 5.820 675 3HB ALA 87 HB3 ALA 87 -13.144 -14.159 5.004 676 H THR 88 HN THR 88 -16.445 -14.428 4.722 677 HA THR 88 HA THR 88 -16.111 -12.161 2.892 678 HB THR 88 HB THR 88 -17.665 -13.429 1.671 679 HG1 THR 88 HG1 THR 88 -19.568 -12.242 1.852 680 1HG2 THR 88 HG21 THR 88 -19.871 -14.017 3.168 681 2HG2 THR 88 HG22 THR 88 -18.547 -14.396 4.270 682 3HG2 THR 88 HG23 THR 88 -18.620 -15.163 2.683 683 H LYS 89 HN LYS 89 -16.314 -10.263 3.915 684 HA LYS 89 HA LYS 89 -17.941 -10.167 6.360 685 1HB LYS 89 HB2 LYS 89 -15.169 -9.909 6.244 686 2HB LYS 89 HB1 LYS 89 -15.751 -8.253 6.340 687 1HG LYS 89 HG2 LYS 89 -16.687 -10.385 8.232 688 2HG LYS 89 HG1 LYS 89 -15.228 -9.438 8.525 689 1HD LYS 89 HD2 LYS 89 -16.801 -7.399 8.116 690 2HD LYS 89 HD1 LYS 89 -18.087 -8.556 8.470 691 1HE LYS 89 HE2 LYS 89 -16.476 -9.094 10.525 692 2HE LYS 89 HE1 LYS 89 -16.008 -7.416 10.250 693 1HZ LYS 89 HZ1 LYS 89 -18.633 -8.500 11.034 694 2HZ LYS 89 HZ2 LYS 89 -18.537 -7.008 10.244 695 3HZ LYS 89 HZ3 LYS 89 -17.751 -7.231 11.724 696 H VAL 90 HN VAL 90 -19.231 -8.394 6.592 697 HA VAL 90 HA VAL 90 -19.150 -6.403 4.421 698 HB VAL 90 HB VAL 90 -21.638 -7.320 5.856 699 1HG1 VAL 90 HG11 VAL 90 -21.209 -5.661 3.376 700 2HG1 VAL 90 HG12 VAL 90 -21.807 -5.089 4.934 701 3HG1 VAL 90 HG13 VAL 90 -22.775 -6.208 3.971 702 1HG2 VAL 90 HG21 VAL 90 -22.169 -8.649 3.919 703 2HG2 VAL 90 HG22 VAL 90 -20.593 -9.144 4.538 704 3HG2 VAL 90 HG23 VAL 90 -20.694 -8.119 3.107 705 H GLY 91 HN GLY 91 -19.580 -4.230 4.931 706 1HA GLY 91 HA2 GLY 91 -19.971 -2.408 6.293 707 2HA GLY 91 HA1 GLY 91 -20.267 -3.502 7.630 708 H ALA 92 HN ALA 92 -18.875 -1.178 7.962 709 HA ALA 92 HA ALA 92 -16.078 -1.413 7.730 710 1HB ALA 92 HB1 ALA 92 -17.902 0.333 9.328 711 2HB ALA 92 HB2 ALA 92 -16.805 0.759 8.014 712 3HB ALA 92 HB3 ALA 92 -16.162 0.376 9.611 713 H LEU 93 HN LEU 93 -14.572 -1.404 9.600 714 HA LEU 93 HA LEU 93 -15.336 -2.723 12.018 715 1HB LEU 93 HB2 LEU 93 -13.702 -4.656 11.570 716 2HB LEU 93 HB1 LEU 93 -15.310 -4.744 10.873 717 HG LEU 93 HG LEU 93 -13.047 -3.644 9.250 718 1HD1 LEU 93 HD11 LEU 93 -12.974 -6.113 8.375 719 2HD1 LEU 93 HD12 LEU 93 -13.509 -6.485 10.014 720 3HD1 LEU 93 HD13 LEU 93 -11.997 -5.615 9.756 721 1HD2 LEU 93 HD21 LEU 93 -15.779 -4.677 8.808 722 2HD2 LEU 93 HD22 LEU 93 -14.577 -5.070 7.580 723 3HD2 LEU 93 HD23 LEU 93 -14.906 -3.385 7.986 724 H SER 94 HN SER 94 -13.756 -2.584 13.597 725 HA SER 94 HA SER 94 -11.817 -0.561 13.273 726 1HB SER 94 HB2 SER 94 -12.440 -2.542 15.439 727 2HB SER 94 HB1 SER 94 -10.983 -1.555 15.543 728 HG SER 94 HG SER 94 -13.232 -0.811 16.398 729 H LYS 95 HN LYS 95 -9.469 -1.196 14.260 730 HA LYS 95 HA LYS 95 -8.238 -2.692 12.164 731 1HB LYS 95 HB2 LYS 95 -7.174 -0.722 13.214 732 2HB LYS 95 HB1 LYS 95 -7.013 -1.626 14.714 733 1HG LYS 95 HG2 LYS 95 -5.208 -2.739 13.992 734 2HG LYS 95 HG1 LYS 95 -5.878 -2.971 12.376 735 1HD LYS 95 HD2 LYS 95 -5.286 -0.672 11.797 736 2HD LYS 95 HD1 LYS 95 -4.636 -0.424 13.418 737 1HE LYS 95 HE2 LYS 95 -2.945 -2.117 13.028 738 2HE LYS 95 HE1 LYS 95 -3.626 -2.466 11.441 739 1HZ LYS 95 HZ1 LYS 95 -2.964 -0.366 10.640 740 2HZ LYS 95 HZ2 LYS 95 -1.623 -0.975 11.474 741 3HZ LYS 95 HZ3 LYS 95 -2.595 0.210 12.187 742 H GLY 96 HN GLY 96 -9.149 -3.391 15.471 743 1HA GLY 96 HA2 GLY 96 -7.584 -5.786 15.629 744 2HA GLY 96 HA1 GLY 96 -8.812 -5.270 16.769 745 H GLN 97 HN GLN 97 -10.841 -5.016 14.631 746 HA GLN 97 HA GLN 97 -11.752 -7.738 14.692 747 1HB GLN 97 HB2 GLN 97 -12.940 -5.365 13.246 748 2HB GLN 97 HB1 GLN 97 -13.743 -6.895 13.575 749 1HG GLN 97 HG2 GLN 97 -14.022 -6.431 15.807 750 2HG GLN 97 HG1 GLN 97 -12.673 -5.295 15.847 751 1HE2 GLN 97 HE21 GLN 97 -13.958 -3.730 16.858 752 2HE2 GLN 97 HE22 GLN 97 -15.159 -2.840 15.990 753 H LEU 98 HN LEU 98 -10.310 -5.603 12.345 754 HA LEU 98 HA LEU 98 -10.818 -7.268 10.077 755 1HB LEU 98 HB2 LEU 98 -9.913 -4.711 10.384 756 2HB LEU 98 HB1 LEU 98 -8.432 -5.549 9.958 757 HG LEU 98 HG LEU 98 -10.805 -6.093 8.263 758 1HD1 LEU 98 HD11 LEU 98 -10.721 -4.096 7.052 759 2HD1 LEU 98 HD12 LEU 98 -9.228 -3.579 7.834 760 3HD1 LEU 98 HD13 LEU 98 -10.741 -3.589 8.741 761 1HD2 LEU 98 HD21 LEU 98 -7.844 -5.962 7.995 762 2HD2 LEU 98 HD22 LEU 98 -8.840 -5.713 6.561 763 3HD2 LEU 98 HD23 LEU 98 -8.974 -7.214 7.477 764 H LYS 99 HN LYS 99 -7.952 -6.699 12.092 765 HA LYS 99 HA LYS 99 -6.278 -8.583 10.873 766 1HB LYS 99 HB2 LYS 99 -5.881 -6.719 12.733 767 2HB LYS 99 HB1 LYS 99 -6.037 -8.107 13.802 768 1HG LYS 99 HG2 LYS 99 -4.190 -9.205 12.774 769 2HG LYS 99 HG1 LYS 99 -4.119 -7.998 11.488 770 1HD LYS 99 HD2 LYS 99 -2.401 -7.367 12.938 771 2HD LYS 99 HD1 LYS 99 -3.737 -6.303 13.385 772 1HE LYS 99 HE2 LYS 99 -4.225 -8.377 15.023 773 2HE LYS 99 HE1 LYS 99 -2.472 -8.506 14.890 774 1HZ LYS 99 HZ1 LYS 99 -3.396 -7.061 16.739 775 2HZ LYS 99 HZ2 LYS 99 -3.795 -5.943 15.534 776 3HZ LYS 99 HZ3 LYS 99 -2.180 -6.383 15.778 777 H GLU 100 HN GLU 100 -8.568 -8.917 13.558 778 HA GLU 100 HA GLU 100 -7.853 -11.540 14.272 779 1HB GLU 100 HB2 GLU 100 -9.708 -11.564 15.657 780 2HB GLU 100 HB1 GLU 100 -9.384 -9.846 15.511 781 1HG GLU 100 HG2 GLU 100 -11.562 -9.690 15.085 782 2HG GLU 100 HG1 GLU 100 -11.125 -10.231 13.468 783 H PHE 101 HN PHE 101 -10.086 -10.286 11.840 784 HA PHE 101 HA PHE 101 -11.260 -12.735 11.091 785 1HB PHE 101 HB2 PHE 101 -11.978 -10.377 10.412 786 2HB PHE 101 HB1 PHE 101 -10.687 -10.430 9.216 787 HD1 PHE 101 HD1 PHE 101 -13.021 -13.134 10.257 788 HD2 PHE 101 HD2 PHE 101 -11.798 -10.458 7.180 789 HE1 PHE 101 HE1 PHE 101 -14.524 -14.269 8.676 790 HE2 PHE 101 HE2 PHE 101 -13.300 -11.591 5.593 791 HZ PHE 101 HZ PHE 101 -14.665 -13.498 6.341 792 H LEU 102 HN LEU 102 -8.311 -11.085 10.096 793 HA LEU 102 HA LEU 102 -7.603 -12.854 7.999 794 1HB LEU 102 HB2 LEU 102 -6.322 -10.667 9.508 795 2HB LEU 102 HB1 LEU 102 -5.212 -11.858 8.854 796 HG LEU 102 HG LEU 102 -7.187 -10.194 7.293 797 1HD1 LEU 102 HD11 LEU 102 -4.220 -10.127 7.666 798 2HD1 LEU 102 HD12 LEU 102 -5.387 -8.808 7.750 799 3HD1 LEU 102 HD13 LEU 102 -4.958 -9.508 6.189 800 1HD2 LEU 102 HD21 LEU 102 -5.664 -12.632 6.600 801 2HD2 LEU 102 HD22 LEU 102 -5.684 -11.334 5.405 802 3HD2 LEU 102 HD23 LEU 102 -7.200 -12.035 5.973 803 H ASP 103 HN ASP 103 -6.274 -12.543 11.306 804 HA ASP 103 HA ASP 103 -4.626 -14.750 11.314 805 1HB ASP 103 HB2 ASP 103 -5.403 -12.913 13.192 806 2HB ASP 103 HB1 ASP 103 -6.117 -14.391 13.829 807 H ALA 104 HN ALA 104 -8.108 -14.610 11.776 808 HA ALA 104 HA ALA 104 -8.433 -17.313 12.592 809 1HB ALA 104 HB1 ALA 104 -10.719 -16.924 12.543 810 2HB ALA 104 HB2 ALA 104 -10.590 -15.741 11.242 811 3HB ALA 104 HB3 ALA 104 -10.049 -15.324 12.868 812 H ASN 105 HN ASN 105 -8.050 -15.810 9.476 813 HA ASN 105 HA ASN 105 -8.926 -18.289 8.155 814 1HB ASN 105 HB2 ASN 105 -9.587 -15.717 7.570 815 2HB ASN 105 HB1 ASN 105 -8.220 -15.957 6.489 816 1HD2 ASN 105 HD21 ASN 105 -9.677 -15.753 4.735 817 2HD2 ASN 105 HD22 ASN 105 -10.683 -17.075 4.265 818 H LEU 106 HN LEU 106 -6.314 -15.867 7.958 819 HA LEU 106 HA LEU 106 -4.611 -17.088 6.196 820 1HB LEU 106 HB2 LEU 106 -4.441 -14.858 7.544 821 2HB LEU 106 HB1 LEU 106 -3.519 -15.819 8.680 822 HG LEU 106 HG LEU 106 -2.828 -15.273 5.795 823 1HD1 LEU 106 HD11 LEU 106 -1.727 -14.369 8.436 824 2HD1 LEU 106 HD12 LEU 106 -2.267 -13.392 7.071 825 3HD1 LEU 106 HD13 LEU 106 -0.768 -14.315 6.957 826 1HD2 LEU 106 HD21 LEU 106 -1.623 -17.157 7.796 827 2HD2 LEU 106 HD22 LEU 106 -0.676 -16.475 6.472 828 3HD2 LEU 106 HD23 LEU 106 -2.092 -17.469 6.125 829 H VAL 107 HN VAL 107 -4.935 -17.737 9.657 830 HA VAL 107 HA VAL 107 -3.999 -19.320 11.016 831 HB VAL 107 HB VAL 107 -4.403 -21.608 10.303 832 1HG1 VAL 107 HG11 VAL 107 -6.344 -20.574 11.076 833 2HG1 VAL 107 HG12 VAL 107 -6.831 -21.271 9.531 834 3HG1 VAL 107 HG13 VAL 107 -6.479 -19.547 9.649 835 1HG2 VAL 107 HG21 VAL 107 -5.041 -22.209 8.084 836 2HG2 VAL 107 HG22 VAL 107 -3.549 -21.277 7.964 837 3HG2 VAL 107 HG23 VAL 107 -5.095 -20.520 7.577 Start of MODEL 8 1 1H MET 1 HT1 MET 1 4.026 -5.693 -0.891 2 2H MET 1 HT2 MET 1 2.950 -6.816 -1.619 3 3H MET 1 HT3 MET 1 2.431 -5.865 -0.287 4 HA MET 1 HA MET 1 2.802 -3.882 -1.644 5 1HB MET 1 HB2 MET 1 3.424 -6.067 -3.602 6 2HB MET 1 HB1 MET 1 2.744 -4.552 -4.178 7 1HG MET 1 HG2 MET 1 4.645 -3.396 -3.810 8 2HG MET 1 HG1 MET 1 5.065 -4.324 -2.372 9 1HE MET 1 HE1 MET 1 8.157 -5.515 -3.595 10 2HE MET 1 HE2 MET 1 7.270 -4.262 -2.727 11 3HE MET 1 HE3 MET 1 7.848 -3.957 -4.364 12 H VAL 2 HN VAL 2 0.974 -2.954 -2.525 13 HA VAL 2 HA VAL 2 -1.447 -4.634 -2.568 14 HB VAL 2 HB VAL 2 -1.058 -1.685 -1.996 15 1HG1 VAL 2 HG11 VAL 2 -3.209 -2.496 -3.351 16 2HG1 VAL 2 HG12 VAL 2 -3.267 -1.223 -2.140 17 3HG1 VAL 2 HG13 VAL 2 -3.759 -2.862 -1.718 18 1HG2 VAL 2 HG21 VAL 2 -1.403 -2.118 0.185 19 2HG2 VAL 2 HG22 VAL 2 -0.841 -3.729 -0.260 20 3HG2 VAL 2 HG23 VAL 2 -2.570 -3.399 -0.138 21 H LYS 3 HN LYS 3 -3.039 -4.303 -4.378 22 HA LYS 3 HA LYS 3 -2.023 -2.507 -6.447 23 1HB LYS 3 HB2 LYS 3 -2.534 -4.388 -8.168 24 2HB LYS 3 HB1 LYS 3 -0.979 -4.320 -7.359 25 1HG LYS 3 HG2 LYS 3 -1.590 -6.106 -5.893 26 2HG LYS 3 HG1 LYS 3 -3.254 -6.087 -6.489 27 1HD LYS 3 HD2 LYS 3 -2.716 -7.159 -8.426 28 2HD LYS 3 HD1 LYS 3 -1.119 -6.417 -8.514 29 1HE LYS 3 HE2 LYS 3 -1.566 -8.337 -6.310 30 2HE LYS 3 HE1 LYS 3 -1.518 -9.006 -7.940 31 1HZ LYS 3 HZ1 LYS 3 0.656 -8.726 -6.555 32 2HZ LYS 3 HZ2 LYS 3 0.589 -7.135 -7.122 33 3HZ LYS 3 HZ3 LYS 3 0.659 -8.421 -8.219 34 H GLN 4 HN GLN 4 -3.470 -1.361 -7.278 35 HA GLN 4 HA GLN 4 -6.226 -1.693 -6.634 36 1HB GLN 4 HB2 GLN 4 -5.096 0.492 -6.733 37 2HB GLN 4 HB1 GLN 4 -4.792 0.267 -8.446 38 1HG GLN 4 HG2 GLN 4 -6.730 1.188 -8.944 39 2HG GLN 4 HG1 GLN 4 -7.593 0.003 -7.962 40 1HE2 GLN 4 HE21 GLN 4 -8.846 0.905 -6.522 41 2HE2 GLN 4 HE22 GLN 4 -8.545 2.372 -5.661 42 H ILE 5 HN ILE 5 -7.651 -2.906 -7.806 43 HA ILE 5 HA ILE 5 -6.943 -3.573 -10.590 44 HB ILE 5 HB ILE 5 -8.928 -4.919 -8.757 45 1HG1 ILE 5 HG12 ILE 5 -7.393 -6.887 -9.226 46 2HG1 ILE 5 HG11 ILE 5 -6.259 -5.721 -9.903 47 1HG2 ILE 5 HG21 ILE 5 -8.638 -6.536 -10.947 48 2HG2 ILE 5 HG22 ILE 5 -8.669 -4.931 -11.662 49 3HG2 ILE 5 HG23 ILE 5 -10.004 -5.468 -10.643 50 1HD1 ILE 5 HD11 ILE 5 -5.564 -5.111 -7.902 51 2HD1 ILE 5 HD12 ILE 5 -6.424 -6.521 -7.290 52 3HD1 ILE 5 HD13 ILE 5 -7.210 -4.943 -7.298 53 H GLU 6 HN GLU 6 -7.830 -2.337 -12.078 54 HA GLU 6 HA GLU 6 -10.446 -1.161 -11.543 55 1HB GLU 6 HB2 GLU 6 -8.105 -0.348 -13.146 56 2HB GLU 6 HB1 GLU 6 -9.683 0.076 -13.798 57 1HG GLU 6 HG2 GLU 6 -10.226 1.379 -11.927 58 2HG GLU 6 HG1 GLU 6 -8.917 0.695 -10.968 59 H SER 7 HN SER 7 -9.744 -3.964 -12.619 60 HA SER 7 HA SER 7 -11.929 -3.996 -14.524 61 1HB SER 7 HB2 SER 7 -9.106 -4.378 -15.359 62 2HB SER 7 HB1 SER 7 -10.291 -5.496 -16.036 63 HG SER 7 HG SER 7 -9.957 -3.523 -17.262 64 H LYS 8 HN LYS 8 -12.608 -6.193 -15.100 65 HA LYS 8 HA LYS 8 -12.498 -7.882 -12.800 66 1HB LYS 8 HB2 LYS 8 -14.546 -7.589 -14.112 67 2HB LYS 8 HB1 LYS 8 -13.767 -8.322 -15.505 68 1HG LYS 8 HG2 LYS 8 -13.442 -10.248 -13.596 69 2HG LYS 8 HG1 LYS 8 -15.010 -9.558 -13.170 70 1HD LYS 8 HD2 LYS 8 -15.635 -11.173 -14.684 71 2HD LYS 8 HD1 LYS 8 -15.467 -9.765 -15.736 72 1HE LYS 8 HE2 LYS 8 -13.667 -10.608 -16.796 73 2HE LYS 8 HE1 LYS 8 -13.012 -11.331 -15.328 74 1HZ LYS 8 HZ1 LYS 8 -13.613 -13.081 -16.782 75 2HZ LYS 8 HZ2 LYS 8 -15.145 -12.424 -17.073 76 3HZ LYS 8 HZ3 LYS 8 -14.772 -13.060 -15.551 77 H THR 9 HN THR 9 -10.796 -7.694 -15.789 78 HA THR 9 HA THR 9 -9.879 -10.428 -15.756 79 HB THR 9 HB THR 9 -8.635 -8.162 -17.305 80 HG1 THR 9 HG1 THR 9 -10.390 -8.000 -18.413 81 1HG2 THR 9 HG21 THR 9 -8.838 -10.389 -18.912 82 2HG2 THR 9 HG22 THR 9 -8.394 -11.042 -17.335 83 3HG2 THR 9 HG23 THR 9 -7.387 -9.810 -18.095 84 H ALA 10 HN ALA 10 -8.852 -7.327 -14.571 85 HA ALA 10 HA ALA 10 -6.150 -7.977 -14.002 86 1HB ALA 10 HB1 ALA 10 -6.647 -6.021 -12.238 87 2HB ALA 10 HB2 ALA 10 -8.030 -5.796 -13.308 88 3HB ALA 10 HB3 ALA 10 -6.392 -5.712 -13.956 89 H PHE 11 HN PHE 11 -9.156 -8.115 -12.129 90 HA PHE 11 HA PHE 11 -8.117 -8.763 -9.620 91 1HB PHE 11 HB2 PHE 11 -10.511 -8.147 -10.278 92 2HB PHE 11 HB1 PHE 11 -10.722 -9.828 -10.743 93 HD1 PHE 11 HD1 PHE 11 -9.191 -8.089 -7.808 94 HD2 PHE 11 HD2 PHE 11 -11.973 -10.978 -9.226 95 HE1 PHE 11 HE1 PHE 11 -9.786 -8.649 -5.489 96 HE2 PHE 11 HE2 PHE 11 -12.569 -11.548 -6.909 97 HZ PHE 11 HZ PHE 11 -11.474 -10.385 -5.036 98 H GLN 12 HN GLN 12 -9.173 -10.924 -12.251 99 HA GLN 12 HA GLN 12 -8.500 -13.333 -10.931 100 1HB GLN 12 HB2 GLN 12 -8.393 -12.842 -13.917 101 2HB GLN 12 HB1 GLN 12 -8.597 -14.385 -13.103 102 1HG GLN 12 HG2 GLN 12 -10.579 -12.124 -13.000 103 2HG GLN 12 HG1 GLN 12 -10.669 -13.499 -14.101 104 1HE2 GLN 12 HE21 GLN 12 -10.326 -12.796 -10.644 105 2HE2 GLN 12 HE22 GLN 12 -11.351 -14.075 -10.098 106 H GLU 13 HN GLU 13 -6.730 -11.058 -12.906 107 HA GLU 13 HA GLU 13 -4.372 -12.501 -13.273 108 1HB GLU 13 HB2 GLU 13 -5.268 -9.721 -13.570 109 2HB GLU 13 HB1 GLU 13 -3.543 -9.894 -13.268 110 1HG GLU 13 HG2 GLU 13 -3.442 -11.517 -15.141 111 2HG GLU 13 HG1 GLU 13 -5.134 -11.159 -15.483 112 H ALA 14 HN ALA 14 -5.289 -10.222 -10.677 113 HA ALA 14 HA ALA 14 -2.757 -10.388 -9.373 114 1HB ALA 14 HB1 ALA 14 -5.428 -9.423 -8.364 115 2HB ALA 14 HB2 ALA 14 -4.129 -8.441 -9.039 116 3HB ALA 14 HB3 ALA 14 -3.903 -9.259 -7.494 117 H LEU 15 HN LEU 15 -5.781 -12.142 -9.132 118 HA LEU 15 HA LEU 15 -5.279 -13.419 -6.664 119 1HB LEU 15 HB2 LEU 15 -7.066 -13.987 -9.002 120 2HB LEU 15 HB1 LEU 15 -6.892 -15.186 -7.740 121 HG LEU 15 HG LEU 15 -7.775 -12.344 -7.238 122 1HD1 LEU 15 HD11 LEU 15 -9.676 -14.602 -7.031 123 2HD1 LEU 15 HD12 LEU 15 -9.249 -14.060 -8.654 124 3HD1 LEU 15 HD13 LEU 15 -9.947 -12.924 -7.500 125 1HD2 LEU 15 HD21 LEU 15 -8.473 -13.202 -5.074 126 2HD2 LEU 15 HD22 LEU 15 -6.750 -13.487 -5.320 127 3HD2 LEU 15 HD23 LEU 15 -7.898 -14.813 -5.506 128 H ASP 16 HN ASP 16 -4.504 -14.290 -10.009 129 HA ASP 16 HA ASP 16 -3.534 -16.878 -9.506 130 1HB ASP 16 HB2 ASP 16 -3.225 -14.875 -11.681 131 2HB ASP 16 HB1 ASP 16 -2.035 -16.171 -11.615 132 H ALA 17 HN ALA 17 -2.123 -13.723 -9.054 133 HA ALA 17 HA ALA 17 0.571 -14.658 -8.735 134 1HB ALA 17 HB1 ALA 17 1.160 -12.477 -8.590 135 2HB ALA 17 HB2 ALA 17 -0.229 -12.055 -7.588 136 3HB ALA 17 HB3 ALA 17 -0.425 -12.252 -9.330 137 H ALA 18 HN ALA 18 -2.204 -14.327 -6.689 138 HA ALA 18 HA ALA 18 -0.777 -14.171 -4.218 139 1HB ALA 18 HB1 ALA 18 -2.933 -14.659 -3.163 140 2HB ALA 18 HB2 ALA 18 -3.631 -14.961 -4.754 141 3HB ALA 18 HB3 ALA 18 -3.042 -13.351 -4.342 142 H GLY 19 HN GLY 19 -1.765 -16.838 -6.339 143 1HA GLY 19 HA2 GLY 19 -1.483 -19.076 -6.094 144 2HA GLY 19 HA1 GLY 19 -0.057 -18.640 -5.164 145 H ASP 20 HN ASP 20 0.038 -19.474 -3.232 146 HA ASP 20 HA ASP 20 -2.410 -20.463 -1.980 147 1HB ASP 20 HB2 ASP 20 0.485 -20.883 -1.198 148 2HB ASP 20 HB1 ASP 20 -0.908 -21.727 -0.527 149 H LYS 21 HN LYS 21 -1.096 -17.556 -2.009 150 HA LYS 21 HA LYS 21 -0.812 -17.096 0.815 151 1HB LYS 21 HB2 LYS 21 -0.759 -15.282 -1.600 152 2HB LYS 21 HB1 LYS 21 -0.627 -14.685 0.049 153 1HG LYS 21 HG2 LYS 21 1.377 -16.026 0.388 154 2HG LYS 21 HG1 LYS 21 1.245 -16.649 -1.256 155 1HD LYS 21 HD2 LYS 21 1.665 -14.493 -2.187 156 2HD LYS 21 HD1 LYS 21 1.516 -13.718 -0.608 157 1HE LYS 21 HE2 LYS 21 3.687 -14.010 -0.239 158 2HE LYS 21 HE1 LYS 21 3.502 -15.752 -0.432 159 1HZ LYS 21 HZ1 LYS 21 3.981 -13.805 -2.623 160 2HZ LYS 21 HZ2 LYS 21 3.782 -15.473 -2.821 161 3HZ LYS 21 HZ3 LYS 21 5.122 -14.876 -1.980 162 H LEU 22 HN LEU 22 -2.197 -15.747 2.030 163 HA LEU 22 HA LEU 22 -4.960 -16.128 1.391 164 1HB LEU 22 HB2 LEU 22 -4.256 -16.298 3.689 165 2HB LEU 22 HB1 LEU 22 -3.559 -14.693 3.643 166 HG LEU 22 HG LEU 22 -5.580 -13.646 3.905 167 1HD1 LEU 22 HD11 LEU 22 -7.733 -15.176 3.430 168 2HD1 LEU 22 HD12 LEU 22 -6.611 -15.874 2.272 169 3HD1 LEU 22 HD13 LEU 22 -6.981 -14.151 2.211 170 1HD2 LEU 22 HD21 LEU 22 -6.120 -16.347 5.122 171 2HD2 LEU 22 HD22 LEU 22 -6.883 -14.825 5.581 172 3HD2 LEU 22 HD23 LEU 22 -5.159 -15.065 5.851 173 H VAL 23 HN VAL 23 -6.147 -14.787 0.167 174 HA VAL 23 HA VAL 23 -5.084 -12.100 -0.310 175 HB VAL 23 HB VAL 23 -7.353 -13.247 -1.867 176 1HG1 VAL 23 HG11 VAL 23 -7.083 -11.478 -3.184 177 2HG1 VAL 23 HG12 VAL 23 -5.337 -11.702 -3.266 178 3HG1 VAL 23 HG13 VAL 23 -6.051 -10.822 -1.913 179 1HG2 VAL 23 HG21 VAL 23 -5.706 -14.991 -1.992 180 2HG2 VAL 23 HG22 VAL 23 -4.436 -13.819 -2.346 181 3HG2 VAL 23 HG23 VAL 23 -5.720 -14.110 -3.520 182 H VAL 24 HN VAL 24 -5.843 -10.585 0.897 183 HA VAL 24 HA VAL 24 -8.686 -10.623 1.639 184 HB VAL 24 HB VAL 24 -7.157 -10.563 3.573 185 1HG1 VAL 24 HG11 VAL 24 -6.249 -7.829 3.163 186 2HG1 VAL 24 HG12 VAL 24 -5.593 -8.961 1.980 187 3HG1 VAL 24 HG13 VAL 24 -5.361 -9.253 3.702 188 1HG2 VAL 24 HG21 VAL 24 -9.368 -9.026 3.172 189 2HG2 VAL 24 HG22 VAL 24 -8.184 -7.821 3.675 190 3HG2 VAL 24 HG23 VAL 24 -8.530 -9.202 4.714 191 H VAL 25 HN VAL 25 -9.910 -9.243 0.572 192 HA VAL 25 HA VAL 25 -8.642 -6.842 -0.541 193 HB VAL 25 HB VAL 25 -10.090 -7.222 -2.599 194 1HG1 VAL 25 HG11 VAL 25 -8.205 -9.490 -2.483 195 2HG1 VAL 25 HG12 VAL 25 -7.539 -7.915 -2.054 196 3HG1 VAL 25 HG13 VAL 25 -8.311 -8.153 -3.623 197 1HG2 VAL 25 HG21 VAL 25 -10.023 -10.102 -1.998 198 2HG2 VAL 25 HG22 VAL 25 -11.176 -9.161 -2.945 199 3HG2 VAL 25 HG23 VAL 25 -11.263 -9.149 -1.183 200 H ASP 26 HN ASP 26 -9.825 -5.034 -0.634 201 HA ASP 26 HA ASP 26 -12.412 -5.125 0.770 202 1HB ASP 26 HB2 ASP 26 -10.574 -3.810 1.842 203 2HB ASP 26 HB1 ASP 26 -10.620 -2.715 0.463 204 H PHE 27 HN PHE 27 -14.222 -4.466 -0.151 205 HA PHE 27 HA PHE 27 -14.101 -3.401 -2.885 206 1HB PHE 27 HB2 PHE 27 -15.998 -5.061 -1.358 207 2HB PHE 27 HB1 PHE 27 -16.763 -3.820 -2.351 208 HD1 PHE 27 HD1 PHE 27 -14.652 -6.810 -2.366 209 HD2 PHE 27 HD2 PHE 27 -16.671 -3.913 -4.745 210 HE1 PHE 27 HE1 PHE 27 -14.276 -8.198 -4.360 211 HE2 PHE 27 HE2 PHE 27 -16.313 -5.301 -6.746 212 HZ PHE 27 HZ PHE 27 -15.110 -7.444 -6.557 213 H SER 28 HN SER 28 -14.042 -1.209 -2.927 214 HA SER 28 HA SER 28 -15.701 0.249 -0.974 215 1HB SER 28 HB2 SER 28 -13.912 2.101 -1.400 216 2HB SER 28 HB1 SER 28 -13.520 0.749 -0.339 217 HG SER 28 HG SER 28 -11.895 0.481 -1.638 218 H ALA 29 HN ALA 29 -15.476 2.760 -1.894 219 HA ALA 29 HA ALA 29 -16.211 2.907 -4.694 220 1HB ALA 29 HB1 ALA 29 -18.313 2.287 -3.461 221 2HB ALA 29 HB2 ALA 29 -18.399 3.779 -4.397 222 3HB ALA 29 HB3 ALA 29 -18.208 3.847 -2.647 223 H THR 30 HN THR 30 -16.364 5.129 -5.471 224 HA THR 30 HA THR 30 -14.468 6.851 -4.203 225 HB THR 30 HB THR 30 -16.318 7.914 -6.279 226 HG1 THR 30 HG1 THR 30 -15.669 6.586 -7.812 227 1HG2 THR 30 HG21 THR 30 -14.259 9.111 -5.452 228 2HG2 THR 30 HG22 THR 30 -14.401 8.911 -7.199 229 3HG2 THR 30 HG23 THR 30 -13.320 7.866 -6.276 230 H TRP 31 HN TRP 31 -17.939 6.711 -4.481 231 HA TRP 31 HA TRP 31 -18.383 9.203 -3.066 232 1HB TRP 31 HB2 TRP 31 -20.779 8.652 -3.389 233 2HB TRP 31 HB1 TRP 31 -19.877 8.583 -4.904 234 HD1 TRP 31 HD1 TRP 31 -19.179 5.999 -5.734 235 HE1 TRP 31 HE1 TRP 31 -20.465 3.775 -5.407 236 HE3 TRP 31 HE3 TRP 31 -22.423 7.424 -2.032 237 HZ2 TRP 31 HZ2 TRP 31 -22.595 2.798 -3.882 238 HZ3 TRP 31 HZ3 TRP 31 -24.052 5.776 -1.202 239 HH2 TRP 31 HH2 TRP 31 -24.135 3.513 -2.110 240 H CYS 32 HN CYS 32 -17.283 6.442 -1.902 241 HA CYS 32 HA CYS 32 -19.151 6.273 0.352 242 1HB CYS 32 HB2 CYS 32 -18.499 4.140 -0.788 243 2HB CYS 32 HB1 CYS 32 -16.838 4.423 -0.276 244 H GLY 33 HN GLY 33 -18.543 6.723 2.428 245 1HA GLY 33 HA2 GLY 33 -16.036 8.224 2.678 246 2HA GLY 33 HA1 GLY 33 -17.402 8.311 3.781 247 HA PRO 34 HA PRO 34 -15.838 5.382 6.679 248 1HB PRO 34 HB2 PRO 34 -17.749 3.298 5.717 249 2HB PRO 34 HB1 PRO 34 -17.444 3.869 7.361 250 1HG PRO 34 HG2 PRO 34 -19.628 4.634 6.044 251 2HG PRO 34 HG1 PRO 34 -18.749 5.766 7.089 252 1HD PRO 34 HD2 PRO 34 -18.819 5.595 4.115 253 2HD PRO 34 HD1 PRO 34 -18.678 7.021 5.163 254 H CYS 35 HN CYS 35 -16.423 4.150 3.446 255 HA CYS 35 HA CYS 35 -14.841 1.852 3.507 256 1HB CYS 35 HB2 CYS 35 -15.349 3.726 1.183 257 2HB CYS 35 HB1 CYS 35 -14.710 2.093 1.046 258 H LYS 36 HN LYS 36 -13.997 5.213 2.873 259 HA LYS 36 HA LYS 36 -11.284 4.704 2.173 260 1HB LYS 36 HB2 LYS 36 -12.906 7.118 2.825 261 2HB LYS 36 HB1 LYS 36 -11.155 7.251 2.902 262 1HG LYS 36 HG2 LYS 36 -10.910 7.151 0.672 263 2HG LYS 36 HG1 LYS 36 -12.224 5.990 0.468 264 1HD LYS 36 HD2 LYS 36 -13.201 7.821 -0.483 265 2HD LYS 36 HD1 LYS 36 -13.681 8.084 1.195 266 1HE LYS 36 HE2 LYS 36 -11.704 9.540 1.490 267 2HE LYS 36 HE1 LYS 36 -11.329 9.333 -0.220 268 1HZ LYS 36 HZ1 LYS 36 -12.529 11.226 -0.353 269 2HZ LYS 36 HZ2 LYS 36 -13.432 10.907 1.042 270 3HZ LYS 36 HZ3 LYS 36 -13.829 10.143 -0.415 271 H MET 37 HN MET 37 -12.984 5.099 5.173 272 HA MET 37 HA MET 37 -10.767 5.825 6.773 273 1HB MET 37 HB2 MET 37 -13.392 4.526 7.527 274 2HB MET 37 HB1 MET 37 -12.223 5.165 8.676 275 1HG MET 37 HG2 MET 37 -13.016 7.055 6.589 276 2HG MET 37 HG1 MET 37 -14.328 6.548 7.652 277 1HE MET 37 HE1 MET 37 -14.052 9.076 10.273 278 2HE MET 37 HE2 MET 37 -14.932 7.725 9.559 279 3HE MET 37 HE3 MET 37 -14.597 9.165 8.599 280 H ILE 38 HN ILE 38 -11.775 2.811 5.412 281 HA ILE 38 HA ILE 38 -10.285 1.233 7.348 282 HB ILE 38 HB ILE 38 -11.560 0.314 4.772 283 1HG1 ILE 38 HG12 ILE 38 -13.041 1.452 6.628 284 2HG1 ILE 38 HG11 ILE 38 -13.582 -0.023 5.839 285 1HG2 ILE 38 HG21 ILE 38 -9.811 -0.999 6.472 286 2HG2 ILE 38 HG22 ILE 38 -10.852 -1.735 5.256 287 3HG2 ILE 38 HG23 ILE 38 -11.396 -1.619 6.927 288 1HD1 ILE 38 HD11 ILE 38 -13.290 -1.291 7.716 289 2HD1 ILE 38 HD12 ILE 38 -13.722 0.262 8.434 290 3HD1 ILE 38 HD13 ILE 38 -12.032 -0.240 8.367 291 H LYS 39 HN LYS 39 -9.736 2.865 4.378 292 HA LYS 39 HA LYS 39 -7.818 1.317 3.125 293 1HB LYS 39 HB2 LYS 39 -8.816 3.907 2.825 294 2HB LYS 39 HB1 LYS 39 -7.090 4.129 3.071 295 1HG LYS 39 HG2 LYS 39 -6.894 2.235 1.277 296 2HG LYS 39 HG1 LYS 39 -8.527 2.752 0.857 297 1HD LYS 39 HD2 LYS 39 -7.272 5.144 1.024 298 2HD LYS 39 HD1 LYS 39 -5.947 4.118 0.472 299 1HE LYS 39 HE2 LYS 39 -7.006 3.591 -1.513 300 2HE LYS 39 HE1 LYS 39 -8.609 3.948 -0.872 301 1HZ LYS 39 HZ1 LYS 39 -8.338 5.813 -2.075 302 2HZ LYS 39 HZ2 LYS 39 -6.650 5.730 -2.064 303 3HZ LYS 39 HZ3 LYS 39 -7.474 6.347 -0.722 304 HA PRO 40 HA PRO 40 -4.481 3.771 5.891 305 1HB PRO 40 HB2 PRO 40 -6.266 3.886 8.281 306 2HB PRO 40 HB1 PRO 40 -4.998 5.007 7.770 307 1HG PRO 40 HG2 PRO 40 -7.570 5.605 7.415 308 2HG PRO 40 HG1 PRO 40 -6.355 6.032 6.196 309 1HD PRO 40 HD2 PRO 40 -8.405 3.875 6.156 310 2HD PRO 40 HD1 PRO 40 -7.726 4.817 4.814 311 H PHE 41 HN PHE 41 -6.862 1.810 7.717 312 HA PHE 41 HA PHE 41 -4.826 0.296 9.035 313 1HB PHE 41 HB2 PHE 41 -7.716 -0.523 8.785 314 2HB PHE 41 HB1 PHE 41 -6.589 -0.886 10.086 315 HD1 PHE 41 HD1 PHE 41 -5.501 1.545 10.970 316 HD2 PHE 41 HD2 PHE 41 -9.419 0.817 9.477 317 HE1 PHE 41 HE1 PHE 41 -6.340 3.483 12.233 318 HE2 PHE 41 HE2 PHE 41 -10.264 2.754 10.735 319 HZ PHE 41 HZ PHE 41 -8.724 4.090 12.116 320 H PHE 42 HN PHE 42 -6.883 -0.266 6.199 321 HA PHE 42 HA PHE 42 -6.261 -3.007 5.931 322 1HB PHE 42 HB2 PHE 42 -8.086 -1.524 4.749 323 2HB PHE 42 HB1 PHE 42 -6.825 -1.288 3.544 324 HD1 PHE 42 HD1 PHE 42 -8.880 -3.869 5.244 325 HD2 PHE 42 HD2 PHE 42 -6.342 -2.947 1.949 326 HE1 PHE 42 HE1 PHE 42 -9.490 -6.004 4.176 327 HE2 PHE 42 HE2 PHE 42 -6.952 -5.079 0.880 328 HZ PHE 42 HZ PHE 42 -8.526 -6.608 1.992 329 H HIS 43 HN HIS 43 -4.811 -0.074 4.508 330 HA HIS 43 HA HIS 43 -2.855 -1.479 3.021 331 1HB HIS 43 HB2 HIS 43 -3.686 1.114 3.057 332 2HB HIS 43 HB1 HIS 43 -2.129 1.246 3.871 333 HD1 HIS 43 HD1 HIS 43 -3.336 1.715 0.653 334 HD2 HIS 43 HD2 HIS 43 -0.219 -0.565 2.184 335 HE1 HIS 43 HE1 HIS 43 -1.774 1.250 -1.284 336 H SER 44 HN SER 44 -2.763 -0.003 6.282 337 HA SER 44 HA SER 44 -0.026 -0.374 6.729 338 1HB SER 44 HB2 SER 44 -2.419 -0.002 8.466 339 2HB SER 44 HB1 SER 44 -0.945 -0.605 9.224 340 HG SER 44 HG SER 44 -0.577 1.489 9.316 341 H LEU 45 HN LEU 45 -2.787 -2.500 7.457 342 HA LEU 45 HA LEU 45 -1.425 -4.558 8.733 343 1HB LEU 45 HB2 LEU 45 -3.810 -4.631 6.884 344 2HB LEU 45 HB1 LEU 45 -3.238 -6.042 7.749 345 HG LEU 45 HG LEU 45 -3.970 -3.543 9.237 346 1HD1 LEU 45 HD11 LEU 45 -5.986 -5.696 8.926 347 2HD1 LEU 45 HD12 LEU 45 -5.796 -4.551 7.598 348 3HD1 LEU 45 HD13 LEU 45 -6.204 -3.970 9.212 349 1HD2 LEU 45 HD21 LEU 45 -3.978 -4.873 11.093 350 2HD2 LEU 45 HD22 LEU 45 -2.763 -5.714 10.129 351 3HD2 LEU 45 HD23 LEU 45 -4.418 -6.323 10.189 352 H SER 46 HN SER 46 -1.785 -3.798 5.341 353 HA SER 46 HA SER 46 -0.754 -6.125 4.206 354 1HB SER 46 HB2 SER 46 -1.869 -4.300 2.933 355 2HB SER 46 HB1 SER 46 -0.430 -3.306 3.157 356 HG SER 46 HG SER 46 0.232 -4.240 1.401 357 H GLU 47 HN GLU 47 0.874 -3.514 5.875 358 HA GLU 47 HA GLU 47 3.474 -4.345 4.881 359 1HB GLU 47 HB2 GLU 47 2.558 -1.902 5.584 360 2HB GLU 47 HB1 GLU 47 3.290 -2.393 7.105 361 1HG GLU 47 HG2 GLU 47 5.393 -2.270 6.296 362 2HG GLU 47 HG1 GLU 47 4.920 -2.807 4.683 363 H LYS 48 HN LYS 48 1.381 -5.037 7.478 364 HA LYS 48 HA LYS 48 3.556 -6.027 9.168 365 1HB LYS 48 HB2 LYS 48 1.436 -4.676 9.951 366 2HB LYS 48 HB1 LYS 48 0.664 -6.255 9.899 367 1HG LYS 48 HG2 LYS 48 2.605 -7.049 11.355 368 2HG LYS 48 HG1 LYS 48 2.933 -5.336 11.620 369 1HD LYS 48 HD2 LYS 48 1.509 -5.594 13.348 370 2HD LYS 48 HD1 LYS 48 0.274 -5.414 12.100 371 1HE LYS 48 HE2 LYS 48 -0.491 -7.370 12.897 372 2HE LYS 48 HE1 LYS 48 0.806 -8.067 11.930 373 1HZ LYS 48 HZ1 LYS 48 1.386 -7.212 14.677 374 2HZ LYS 48 HZ2 LYS 48 2.095 -8.447 13.763 375 3HZ LYS 48 HZ3 LYS 48 0.559 -8.668 14.434 376 H TYR 49 HN TYR 49 1.349 -7.072 6.840 377 HA TYR 49 HA TYR 49 1.530 -9.866 7.732 378 1HB TYR 49 HB2 TYR 49 -0.412 -8.344 6.056 379 2HB TYR 49 HB1 TYR 49 -0.230 -10.079 5.795 380 HD1 TYR 49 HD1 TYR 49 -1.249 -11.635 7.258 381 HD2 TYR 49 HD2 TYR 49 -0.978 -7.538 8.399 382 HE1 TYR 49 HE1 TYR 49 -2.689 -12.080 9.201 383 HE2 TYR 49 HE2 TYR 49 -2.423 -7.977 10.338 384 HH TYR 49 HH TYR 49 -4.228 -10.788 10.693 385 H SER 50 HN SER 50 3.674 -10.145 7.036 386 HA SER 50 HA SER 50 4.426 -9.791 4.285 387 1HB SER 50 HB2 SER 50 5.884 -9.764 6.490 388 2HB SER 50 HB1 SER 50 5.998 -11.495 6.177 389 HG SER 50 HG SER 50 7.685 -10.224 5.200 390 H ASN 51 HN ASN 51 2.158 -11.413 4.368 391 HA ASN 51 HA ASN 51 3.167 -13.729 3.010 392 1HB ASN 51 HB2 ASN 51 2.843 -14.211 5.603 393 2HB ASN 51 HB1 ASN 51 1.167 -14.430 5.103 394 1HD2 ASN 51 HD21 ASN 51 1.292 -16.638 5.618 395 2HD2 ASN 51 HD22 ASN 51 2.102 -17.754 4.579 396 H VAL 52 HN VAL 52 0.505 -11.692 3.998 397 HA VAL 52 HA VAL 52 -1.232 -12.934 1.996 398 HB VAL 52 HB VAL 52 -3.070 -11.794 2.968 399 1HG1 VAL 52 HG11 VAL 52 -3.188 -12.903 4.955 400 2HG1 VAL 52 HG12 VAL 52 -1.558 -12.438 5.439 401 3HG1 VAL 52 HG13 VAL 52 -1.793 -13.709 4.238 402 1HG2 VAL 52 HG21 VAL 52 -2.397 -10.332 5.106 403 2HG2 VAL 52 HG22 VAL 52 -2.593 -9.654 3.491 404 3HG2 VAL 52 HG23 VAL 52 -0.983 -10.031 4.093 405 H ILE 53 HN ILE 53 -2.381 -11.669 0.499 406 HA ILE 53 HA ILE 53 -0.839 -9.367 -0.469 407 HB ILE 53 HB ILE 53 -1.496 -11.673 -1.726 408 1HG1 ILE 53 HG12 ILE 53 -1.222 -10.268 -3.900 409 2HG1 ILE 53 HG11 ILE 53 -0.947 -8.930 -2.788 410 1HG2 ILE 53 HG21 ILE 53 -3.294 -11.440 -3.239 411 2HG2 ILE 53 HG22 ILE 53 -3.567 -9.764 -2.764 412 3HG2 ILE 53 HG23 ILE 53 -3.916 -11.070 -1.631 413 1HD1 ILE 53 HD11 ILE 53 0.581 -11.460 -2.429 414 2HD1 ILE 53 HD12 ILE 53 1.028 -9.805 -2.016 415 3HD1 ILE 53 HD13 ILE 53 1.053 -10.329 -3.699 416 H PHE 54 HN PHE 54 -1.649 -7.451 0.043 417 HA PHE 54 HA PHE 54 -4.542 -7.154 0.421 418 1HB PHE 54 HB2 PHE 54 -2.169 -5.578 1.313 419 2HB PHE 54 HB1 PHE 54 -3.685 -4.757 1.086 420 HD1 PHE 54 HD1 PHE 54 -2.660 -7.993 2.652 421 HD2 PHE 54 HD2 PHE 54 -4.825 -4.354 2.978 422 HE1 PHE 54 HE1 PHE 54 -3.445 -8.653 4.895 423 HE2 PHE 54 HE2 PHE 54 -5.616 -5.009 5.211 424 HZ PHE 54 HZ PHE 54 -4.919 -7.165 6.173 425 H LEU 55 HN LEU 55 -5.664 -6.469 -1.244 426 HA LEU 55 HA LEU 55 -4.461 -4.396 -2.910 427 1HB LEU 55 HB2 LEU 55 -5.023 -5.411 -4.869 428 2HB LEU 55 HB1 LEU 55 -4.544 -6.791 -3.893 429 HG LEU 55 HG LEU 55 -7.076 -6.890 -3.377 430 1HD1 LEU 55 HD11 LEU 55 -8.175 -5.252 -4.373 431 2HD1 LEU 55 HD12 LEU 55 -7.987 -6.207 -5.844 432 3HD1 LEU 55 HD13 LEU 55 -6.846 -4.912 -5.478 433 1HD2 LEU 55 HD21 LEU 55 -7.346 -8.444 -5.243 434 2HD2 LEU 55 HD22 LEU 55 -5.751 -8.622 -4.512 435 3HD2 LEU 55 HD23 LEU 55 -5.932 -7.750 -6.033 436 H GLU 56 HN GLU 56 -6.196 -3.238 -4.225 437 HA GLU 56 HA GLU 56 -8.627 -2.997 -2.574 438 1HB GLU 56 HB2 GLU 56 -6.805 -1.134 -2.654 439 2HB GLU 56 HB1 GLU 56 -7.549 -0.754 -4.200 440 1HG GLU 56 HG2 GLU 56 -9.455 0.035 -3.256 441 2HG GLU 56 HG1 GLU 56 -9.359 -1.058 -1.878 442 H VAL 57 HN VAL 57 -10.469 -3.369 -3.587 443 HA VAL 57 HA VAL 57 -10.494 -3.144 -6.526 444 HB VAL 57 HB VAL 57 -12.479 -4.733 -4.927 445 1HG1 VAL 57 HG11 VAL 57 -12.857 -5.794 -7.082 446 2HG1 VAL 57 HG12 VAL 57 -11.588 -4.797 -7.798 447 3HG1 VAL 57 HG13 VAL 57 -13.061 -4.045 -7.184 448 1HG2 VAL 57 HG21 VAL 57 -9.857 -5.679 -6.090 449 2HG2 VAL 57 HG22 VAL 57 -11.166 -6.749 -5.590 450 3HG2 VAL 57 HG23 VAL 57 -10.352 -5.735 -4.398 451 H ASP 58 HN ASP 58 -11.460 -1.458 -7.244 452 HA ASP 58 HA ASP 58 -13.467 -0.117 -5.623 453 1HB ASP 58 HB2 ASP 58 -13.199 1.700 -7.268 454 2HB ASP 58 HB1 ASP 58 -11.659 1.222 -6.572 455 H VAL 59 HN VAL 59 -15.521 -0.669 -5.881 456 HA VAL 59 HA VAL 59 -16.515 -2.283 -7.932 457 HB VAL 59 HB VAL 59 -17.581 -2.010 -5.707 458 1HG1 VAL 59 HG11 VAL 59 -18.608 0.582 -6.858 459 2HG1 VAL 59 HG12 VAL 59 -17.439 0.425 -5.551 460 3HG1 VAL 59 HG13 VAL 59 -19.093 -0.138 -5.323 461 1HG2 VAL 59 HG21 VAL 59 -19.324 -1.578 -8.131 462 2HG2 VAL 59 HG22 VAL 59 -19.922 -2.076 -6.548 463 3HG2 VAL 59 HG23 VAL 59 -18.817 -3.121 -7.441 464 H ASP 60 HN ASP 60 -16.046 1.127 -7.850 465 HA ASP 60 HA ASP 60 -17.980 1.909 -9.744 466 1HB ASP 60 HB2 ASP 60 -16.315 3.323 -8.224 467 2HB ASP 60 HB1 ASP 60 -15.311 3.266 -9.670 468 H ASP 61 HN ASP 61 -14.737 0.644 -9.984 469 HA ASP 61 HA ASP 61 -14.883 0.663 -12.909 470 1HB ASP 61 HB2 ASP 61 -12.574 0.245 -11.018 471 2HB ASP 61 HB1 ASP 61 -12.446 0.094 -12.771 472 H ALA 62 HN ALA 62 -14.336 -1.592 -10.212 473 HA ALA 62 HA ALA 62 -14.303 -3.831 -12.057 474 1HB ALA 62 HB1 ALA 62 -13.455 -5.101 -10.358 475 2HB ALA 62 HB2 ALA 62 -14.391 -4.264 -9.120 476 3HB ALA 62 HB3 ALA 62 -12.953 -3.505 -9.799 477 H GLN 63 HN GLN 63 -16.609 -2.688 -12.469 478 HA GLN 63 HA GLN 63 -18.722 -3.545 -10.747 479 1HB GLN 63 HB2 GLN 63 -18.510 -2.182 -13.385 480 2HB GLN 63 HB1 GLN 63 -20.035 -2.958 -12.986 481 1HG GLN 63 HG2 GLN 63 -19.629 -1.595 -10.719 482 2HG GLN 63 HG1 GLN 63 -18.784 -0.543 -11.860 483 1HE2 GLN 63 HE21 GLN 63 -21.806 -1.655 -10.723 484 2HE2 GLN 63 HE22 GLN 63 -22.804 -0.721 -11.779 485 H ASP 64 HN ASP 64 -16.846 -5.141 -13.064 486 HA ASP 64 HA ASP 64 -18.929 -6.969 -13.926 487 1HB ASP 64 HB2 ASP 64 -16.079 -6.482 -14.609 488 2HB ASP 64 HB1 ASP 64 -16.681 -8.121 -14.835 489 H VAL 65 HN VAL 65 -16.295 -6.838 -11.642 490 HA VAL 65 HA VAL 65 -16.306 -9.641 -11.048 491 HB VAL 65 HB VAL 65 -14.859 -9.001 -9.110 492 1HG1 VAL 65 HG11 VAL 65 -12.963 -8.663 -10.424 493 2HG1 VAL 65 HG12 VAL 65 -13.850 -7.706 -11.611 494 3HG1 VAL 65 HG13 VAL 65 -14.104 -9.448 -11.516 495 1HG2 VAL 65 HG21 VAL 65 -14.037 -6.741 -8.918 496 2HG2 VAL 65 HG22 VAL 65 -15.791 -6.739 -8.749 497 3HG2 VAL 65 HG23 VAL 65 -15.049 -6.227 -10.265 498 H ALA 66 HN ALA 66 -17.522 -6.726 -9.370 499 HA ALA 66 HA ALA 66 -18.443 -7.781 -7.048 500 1HB ALA 66 HB1 ALA 66 -18.917 -5.610 -6.933 501 2HB ALA 66 HB2 ALA 66 -20.420 -5.977 -7.782 502 3HB ALA 66 HB3 ALA 66 -18.995 -5.469 -8.688 503 HA PRO 67 HA PRO 67 -22.833 -8.670 -9.109 504 1HB PRO 67 HB2 PRO 67 -21.880 -9.213 -11.866 505 2HB PRO 67 HB1 PRO 67 -23.361 -8.422 -11.319 506 1HG PRO 67 HG2 PRO 67 -21.339 -7.005 -12.326 507 2HG PRO 67 HG1 PRO 67 -22.307 -6.388 -10.979 508 1HD PRO 67 HD2 PRO 67 -19.564 -7.549 -10.982 509 2HD PRO 67 HD1 PRO 67 -20.242 -6.240 -9.997 510 H LYS 68 HN LYS 68 -19.869 -10.293 -10.106 511 HA LYS 68 HA LYS 68 -21.140 -12.835 -10.472 512 1HB LYS 68 HB2 LYS 68 -18.357 -11.820 -10.557 513 2HB LYS 68 HB1 LYS 68 -18.570 -13.533 -10.214 514 1HG LYS 68 HG2 LYS 68 -19.382 -13.997 -12.287 515 2HG LYS 68 HG1 LYS 68 -20.078 -12.388 -12.493 516 1HD LYS 68 HD2 LYS 68 -18.230 -11.599 -13.474 517 2HD LYS 68 HD1 LYS 68 -17.172 -12.358 -12.281 518 1HE LYS 68 HE2 LYS 68 -16.781 -13.219 -14.549 519 2HE LYS 68 HE1 LYS 68 -17.330 -14.476 -13.443 520 1HZ LYS 68 HZ1 LYS 68 -19.002 -13.057 -15.445 521 2HZ LYS 68 HZ2 LYS 68 -19.572 -14.214 -14.352 522 3HZ LYS 68 HZ3 LYS 68 -18.462 -14.657 -15.549 523 H TYR 69 HN TYR 69 -19.747 -11.149 -7.734 524 HA TYR 69 HA TYR 69 -19.772 -13.607 -6.127 525 1HB TYR 69 HB2 TYR 69 -18.751 -10.813 -5.556 526 2HB TYR 69 HB1 TYR 69 -18.673 -12.159 -4.430 527 HD1 TYR 69 HD1 TYR 69 -17.598 -14.377 -5.649 528 HD2 TYR 69 HD2 TYR 69 -16.791 -10.315 -6.621 529 HE1 TYR 69 HE1 TYR 69 -15.451 -15.046 -6.641 530 HE2 TYR 69 HE2 TYR 69 -14.644 -10.972 -7.615 531 HH TYR 69 HH TYR 69 -13.826 -13.540 -8.699 532 H GLY 70 HN GLY 70 -21.707 -11.028 -6.948 533 1HA GLY 70 HA2 GLY 70 -23.769 -10.347 -6.201 534 2HA GLY 70 HA1 GLY 70 -23.729 -11.700 -5.083 535 H ILE 71 HN ILE 71 -21.437 -8.960 -5.247 536 HA ILE 71 HA ILE 71 -21.756 -8.506 -2.424 537 HB ILE 71 HB ILE 71 -20.279 -6.824 -4.467 538 1HG1 ILE 71 HG12 ILE 71 -19.156 -8.949 -2.629 539 2HG1 ILE 71 HG11 ILE 71 -19.454 -9.181 -4.347 540 1HG2 ILE 71 HG21 ILE 71 -20.957 -6.091 -1.966 541 2HG2 ILE 71 HG22 ILE 71 -19.497 -5.542 -2.789 542 3HG2 ILE 71 HG23 ILE 71 -19.416 -6.888 -1.654 543 1HD1 ILE 71 HD11 ILE 71 -17.353 -8.524 -4.643 544 2HD1 ILE 71 HD12 ILE 71 -17.232 -7.897 -2.998 545 3HD1 ILE 71 HD13 ILE 71 -17.923 -6.897 -4.277 546 H ARG 72 HN ARG 72 -23.154 -7.068 -1.500 547 HA ARG 72 HA ARG 72 -24.224 -4.912 -3.156 548 1HB ARG 72 HB2 ARG 72 -25.721 -6.992 -3.233 549 2HB ARG 72 HB1 ARG 72 -26.105 -6.627 -1.555 550 1HG ARG 72 HG2 ARG 72 -26.552 -4.221 -2.668 551 2HG ARG 72 HG1 ARG 72 -26.941 -5.271 -4.031 552 1HD ARG 72 HD2 ARG 72 -28.786 -6.105 -3.030 553 2HD ARG 72 HD1 ARG 72 -28.048 -6.093 -1.428 554 HE ARG 72 HE ARG 72 -28.589 -3.457 -2.352 555 1HH1 ARG 72 HH11 ARG 72 -30.091 -6.281 -0.958 556 2HH1 ARG 72 HH12 ARG 72 -31.375 -5.387 -0.218 557 1HH2 ARG 72 HH21 ARG 72 -30.276 -2.278 -1.379 558 2HH2 ARG 72 HH22 ARG 72 -31.481 -3.114 -0.456 559 H GLY 73 HN GLY 73 -22.571 -4.056 -1.527 560 1HA GLY 73 HA2 GLY 73 -23.609 -2.236 0.138 561 2HA GLY 73 HA1 GLY 73 -23.632 -3.670 1.153 562 H ILE 74 HN ILE 74 -21.933 -0.981 0.498 563 HA ILE 74 HA ILE 74 -19.337 -2.231 1.079 564 HB ILE 74 HB ILE 74 -18.412 0.041 0.394 565 1HG1 ILE 74 HG12 ILE 74 -21.141 0.327 -0.881 566 2HG1 ILE 74 HG11 ILE 74 -20.637 1.205 0.560 567 1HG2 ILE 74 HG21 ILE 74 -18.813 -2.212 -1.002 568 2HG2 ILE 74 HG22 ILE 74 -18.040 -0.778 -1.680 569 3HG2 ILE 74 HG23 ILE 74 -19.749 -1.086 -1.984 570 1HD1 ILE 74 HD11 ILE 74 -19.609 1.459 -2.240 571 2HD1 ILE 74 HD12 ILE 74 -18.707 2.072 -0.855 572 3HD1 ILE 74 HD13 ILE 74 -20.318 2.697 -1.205 573 HA PRO 75 HA PRO 75 -17.315 -1.230 1.621 574 1HB PRO 75 HB2 PRO 75 -15.934 -1.627 4.107 575 2HB PRO 75 HB1 PRO 75 -15.655 -0.382 2.890 576 1HG PRO 75 HG2 PRO 75 -16.633 0.100 5.415 577 2HG PRO 75 HG1 PRO 75 -16.890 1.163 4.021 578 1HD PRO 75 HD2 PRO 75 -18.732 -0.862 5.230 579 2HD PRO 75 HD1 PRO 75 -19.098 0.745 4.565 580 H THR 76 HN THR 76 -17.017 -3.272 0.972 581 HA THR 76 HA THR 76 -17.741 -5.455 2.791 582 HB THR 76 HB THR 76 -17.154 -6.212 0.036 583 HG1 THR 76 HG1 THR 76 -18.008 -4.344 -0.638 584 1HG2 THR 76 HG21 THR 76 -19.691 -6.893 0.343 585 2HG2 THR 76 HG22 THR 76 -19.269 -6.694 2.044 586 3HG2 THR 76 HG23 THR 76 -18.371 -7.832 1.040 587 H LEU 77 HN LEU 77 -16.301 -7.029 3.360 588 HA LEU 77 HA LEU 77 -13.554 -6.691 2.375 589 1HB LEU 77 HB2 LEU 77 -14.587 -6.950 5.048 590 2HB LEU 77 HB1 LEU 77 -13.562 -8.328 4.702 591 HG LEU 77 HG LEU 77 -11.682 -6.887 4.230 592 1HD1 LEU 77 HD11 LEU 77 -12.412 -4.967 3.225 593 2HD1 LEU 77 HD12 LEU 77 -12.110 -4.372 4.857 594 3HD1 LEU 77 HD13 LEU 77 -13.755 -4.757 4.349 595 1HD2 LEU 77 HD21 LEU 77 -11.807 -5.548 6.535 596 2HD2 LEU 77 HD22 LEU 77 -11.554 -7.291 6.459 597 3HD2 LEU 77 HD23 LEU 77 -13.163 -6.647 6.782 598 H LEU 78 HN LEU 78 -13.054 -8.150 0.909 599 HA LEU 78 HA LEU 78 -14.417 -10.747 0.994 600 1HB LEU 78 HB2 LEU 78 -13.194 -9.131 -1.213 601 2HB LEU 78 HB1 LEU 78 -13.391 -10.855 -1.415 602 HG LEU 78 HG LEU 78 -15.450 -8.707 -1.354 603 1HD1 LEU 78 HD11 LEU 78 -16.411 -10.261 -3.092 604 2HD1 LEU 78 HD12 LEU 78 -14.925 -11.201 -2.941 605 3HD1 LEU 78 HD13 LEU 78 -14.858 -9.527 -3.479 606 1HD2 LEU 78 HD21 LEU 78 -15.877 -11.506 -0.344 607 2HD2 LEU 78 HD22 LEU 78 -17.181 -10.522 -1.010 608 3HD2 LEU 78 HD23 LEU 78 -16.316 -9.983 0.429 609 H LEU 79 HN LEU 79 -13.385 -12.570 1.322 610 HA LEU 79 HA LEU 79 -10.453 -12.489 1.524 611 1HB LEU 79 HB2 LEU 79 -12.578 -13.608 3.198 612 2HB LEU 79 HB1 LEU 79 -11.298 -14.757 2.867 613 HG LEU 79 HG LEU 79 -10.989 -13.534 4.985 614 1HD1 LEU 79 HD11 LEU 79 -9.019 -13.432 2.770 615 2HD1 LEU 79 HD12 LEU 79 -8.972 -14.308 4.300 616 3HD1 LEU 79 HD13 LEU 79 -8.639 -12.578 4.265 617 1HD2 LEU 79 HD21 LEU 79 -10.724 -11.134 3.186 618 2HD2 LEU 79 HD22 LEU 79 -10.326 -11.172 4.904 619 3HD2 LEU 79 HD23 LEU 79 -11.991 -11.421 4.378 620 H PHE 80 HN PHE 80 -9.420 -13.548 -0.100 621 HA PHE 80 HA PHE 80 -10.808 -15.854 -1.277 622 1HB PHE 80 HB2 PHE 80 -8.878 -13.870 -2.464 623 2HB PHE 80 HB1 PHE 80 -9.183 -15.420 -3.225 624 HD1 PHE 80 HD1 PHE 80 -10.737 -12.241 -2.176 625 HD2 PHE 80 HD2 PHE 80 -11.136 -15.773 -4.523 626 HE1 PHE 80 HE1 PHE 80 -12.700 -11.269 -3.292 627 HE2 PHE 80 HE2 PHE 80 -13.106 -14.805 -5.643 628 HZ PHE 80 HZ PHE 80 -13.890 -12.551 -5.025 629 H LYS 81 HN LYS 81 -9.750 -17.763 -1.436 630 HA LYS 81 HA LYS 81 -6.985 -18.011 -0.467 631 1HB LYS 81 HB2 LYS 81 -8.946 -18.393 1.274 632 2HB LYS 81 HB1 LYS 81 -9.065 -19.951 0.486 633 1HG LYS 81 HG2 LYS 81 -7.157 -20.714 1.442 634 2HG LYS 81 HG1 LYS 81 -6.387 -19.124 1.451 635 1HD LYS 81 HD2 LYS 81 -7.976 -18.443 3.273 636 2HD LYS 81 HD1 LYS 81 -8.586 -20.092 3.300 637 1HE LYS 81 HE2 LYS 81 -6.102 -18.966 4.456 638 2HE LYS 81 HE1 LYS 81 -7.086 -20.328 4.994 639 1HZ LYS 81 HZ1 LYS 81 -5.264 -20.437 2.650 640 2HZ LYS 81 HZ2 LYS 81 -6.077 -21.730 3.377 641 3HZ LYS 81 HZ3 LYS 81 -4.837 -20.937 4.209 642 H ASN 82 HN ASN 82 -6.081 -18.832 -2.321 643 HA ASN 82 HA ASN 82 -5.655 -20.303 -4.001 644 1HB ASN 82 HB2 ASN 82 -7.815 -22.085 -2.871 645 2HB ASN 82 HB1 ASN 82 -6.410 -22.547 -3.820 646 1HD2 ASN 82 HD21 ASN 82 -4.356 -21.353 -2.662 647 2HD2 ASN 82 HD22 ASN 82 -4.168 -21.865 -1.025 648 H GLY 83 HN GLY 83 -7.207 -18.184 -4.549 649 1HA GLY 83 HA2 GLY 83 -8.589 -17.342 -6.166 650 2HA GLY 83 HA1 GLY 83 -8.553 -18.932 -6.901 651 H GLU 84 HN GLU 84 -9.693 -19.237 -3.771 652 HA GLU 84 HA GLU 84 -12.479 -19.018 -4.699 653 1HB GLU 84 HB2 GLU 84 -11.317 -21.355 -4.088 654 2HB GLU 84 HB1 GLU 84 -11.779 -20.864 -2.465 655 1HG GLU 84 HG2 GLU 84 -14.096 -20.424 -3.738 656 2HG GLU 84 HG1 GLU 84 -13.447 -21.720 -4.740 657 H VAL 85 HN VAL 85 -13.776 -17.733 -3.510 658 HA VAL 85 HA VAL 85 -12.745 -16.015 -1.569 659 HB VAL 85 HB VAL 85 -14.791 -15.434 -2.699 660 1HG1 VAL 85 HG11 VAL 85 -16.562 -17.258 -1.247 661 2HG1 VAL 85 HG12 VAL 85 -15.511 -18.042 -2.427 662 3HG1 VAL 85 HG13 VAL 85 -16.590 -16.742 -2.933 663 1HG2 VAL 85 HG21 VAL 85 -15.832 -14.390 -0.952 664 2HG2 VAL 85 HG22 VAL 85 -14.326 -14.867 -0.169 665 3HG2 VAL 85 HG23 VAL 85 -15.788 -15.822 0.078 666 H ALA 86 HN ALA 86 -12.025 -16.500 0.399 667 HA ALA 86 HA ALA 86 -12.884 -18.950 1.662 668 1HB ALA 86 HB1 ALA 86 -10.907 -18.497 3.157 669 2HB ALA 86 HB2 ALA 86 -10.561 -17.119 2.111 670 3HB ALA 86 HB3 ALA 86 -10.550 -18.754 1.454 671 H ALA 87 HN ALA 87 -13.676 -15.784 1.837 672 HA ALA 87 HA ALA 87 -15.342 -16.117 4.058 673 1HB ALA 87 HB1 ALA 87 -13.810 -14.209 5.319 674 2HB ALA 87 HB2 ALA 87 -12.618 -15.348 4.695 675 3HB ALA 87 HB3 ALA 87 -13.913 -15.916 5.749 676 H THR 88 HN THR 88 -16.675 -14.354 4.486 677 HA THR 88 HA THR 88 -16.256 -11.998 2.784 678 HB THR 88 HB THR 88 -18.007 -13.296 1.727 679 HG1 THR 88 HG1 THR 88 -19.041 -11.514 1.446 680 1HG2 THR 88 HG21 THR 88 -18.666 -14.575 3.793 681 2HG2 THR 88 HG22 THR 88 -19.993 -14.017 2.772 682 3HG2 THR 88 HG23 THR 88 -19.605 -13.157 4.262 683 H LYS 89 HN LYS 89 -17.000 -10.039 3.643 684 HA LYS 89 HA LYS 89 -18.167 -10.011 6.290 685 1HB LYS 89 HB2 LYS 89 -15.362 -9.772 5.944 686 2HB LYS 89 HB1 LYS 89 -15.965 -8.168 6.341 687 1HG LYS 89 HG2 LYS 89 -16.643 -10.618 7.946 688 2HG LYS 89 HG1 LYS 89 -15.248 -9.592 8.286 689 1HD LYS 89 HD2 LYS 89 -16.998 -7.668 8.279 690 2HD LYS 89 HD1 LYS 89 -18.165 -8.969 8.523 691 1HE LYS 89 HE2 LYS 89 -16.473 -9.685 10.406 692 2HE LYS 89 HE1 LYS 89 -16.003 -7.988 10.323 693 1HZ LYS 89 HZ1 LYS 89 -17.665 -8.064 11.934 694 2HZ LYS 89 HZ2 LYS 89 -18.631 -9.131 11.045 695 3HZ LYS 89 HZ3 LYS 89 -18.480 -7.519 10.554 696 H VAL 90 HN VAL 90 -19.522 -8.315 6.492 697 HA VAL 90 HA VAL 90 -19.411 -6.258 4.391 698 HB VAL 90 HB VAL 90 -21.877 -7.121 5.897 699 1HG1 VAL 90 HG11 VAL 90 -21.271 -5.174 3.756 700 2HG1 VAL 90 HG12 VAL 90 -22.487 -5.119 5.032 701 3HG1 VAL 90 HG13 VAL 90 -22.764 -6.099 3.593 702 1HG2 VAL 90 HG21 VAL 90 -20.826 -8.953 4.505 703 2HG2 VAL 90 HG22 VAL 90 -21.145 -7.944 3.094 704 3HG2 VAL 90 HG23 VAL 90 -22.484 -8.523 4.085 705 H GLY 91 HN GLY 91 -19.806 -4.099 4.941 706 1HA GLY 91 HA2 GLY 91 -20.094 -2.276 6.323 707 2HA GLY 91 HA1 GLY 91 -20.357 -3.369 7.669 708 H ALA 92 HN ALA 92 -18.867 -1.036 7.888 709 HA ALA 92 HA ALA 92 -16.078 -1.489 7.613 710 1HB ALA 92 HB1 ALA 92 -17.025 0.446 9.639 711 2HB ALA 92 HB2 ALA 92 -17.542 0.715 7.975 712 3HB ALA 92 HB3 ALA 92 -15.823 0.633 8.362 713 H LEU 93 HN LEU 93 -14.594 -1.319 9.563 714 HA LEU 93 HA LEU 93 -15.553 -2.485 12.011 715 1HB LEU 93 HB2 LEU 93 -13.786 -4.371 11.772 716 2HB LEU 93 HB1 LEU 93 -15.365 -4.563 11.035 717 HG LEU 93 HG LEU 93 -13.093 -3.468 9.419 718 1HD1 LEU 93 HD11 LEU 93 -12.601 -5.781 8.688 719 2HD1 LEU 93 HD12 LEU 93 -13.633 -6.380 9.986 720 3HD1 LEU 93 HD13 LEU 93 -12.168 -5.477 10.370 721 1HD2 LEU 93 HD21 LEU 93 -14.893 -3.344 8.067 722 2HD2 LEU 93 HD22 LEU 93 -15.785 -4.577 8.960 723 3HD2 LEU 93 HD23 LEU 93 -14.544 -5.053 7.801 724 H SER 94 HN SER 94 -13.538 -3.097 13.401 725 HA SER 94 HA SER 94 -11.811 -0.741 13.382 726 1HB SER 94 HB2 SER 94 -12.579 -2.763 15.444 727 2HB SER 94 HB1 SER 94 -11.042 -1.921 15.628 728 HG SER 94 HG SER 94 -12.546 -0.683 16.653 729 H LYS 95 HN LYS 95 -9.471 -1.278 14.255 730 HA LYS 95 HA LYS 95 -8.239 -2.810 12.200 731 1HB LYS 95 HB2 LYS 95 -7.154 -0.829 13.155 732 2HB LYS 95 HB1 LYS 95 -7.032 -1.638 14.711 733 1HG LYS 95 HG2 LYS 95 -5.271 -2.899 14.076 734 2HG LYS 95 HG1 LYS 95 -5.844 -3.058 12.415 735 1HD LYS 95 HD2 LYS 95 -5.172 -0.710 12.005 736 2HD LYS 95 HD1 LYS 95 -4.513 -0.644 13.640 737 1HE LYS 95 HE2 LYS 95 -3.299 -2.868 12.720 738 2HE LYS 95 HE1 LYS 95 -3.462 -1.957 11.218 739 1HZ LYS 95 HZ1 LYS 95 -1.408 -1.650 12.813 740 2HZ LYS 95 HZ2 LYS 95 -2.442 -0.539 13.561 741 3HZ LYS 95 HZ3 LYS 95 -2.042 -0.354 11.929 742 H GLY 96 HN GLY 96 -9.105 -3.481 15.539 743 1HA GLY 96 HA2 GLY 96 -7.484 -5.828 15.717 744 2HA GLY 96 HA1 GLY 96 -8.736 -5.340 16.843 745 H GLN 97 HN GLN 97 -10.808 -5.204 14.754 746 HA GLN 97 HA GLN 97 -11.597 -7.960 14.835 747 1HB GLN 97 HB2 GLN 97 -12.943 -5.834 13.192 748 2HB GLN 97 HB1 GLN 97 -13.650 -7.279 13.901 749 1HG GLN 97 HG2 GLN 97 -13.489 -6.363 16.099 750 2HG GLN 97 HG1 GLN 97 -12.562 -4.984 15.507 751 1HE2 GLN 97 HE21 GLN 97 -14.900 -4.727 17.005 752 2HE2 GLN 97 HE22 GLN 97 -16.113 -4.012 16.003 753 H LEU 98 HN LEU 98 -10.187 -5.825 12.473 754 HA LEU 98 HA LEU 98 -10.682 -7.522 10.225 755 1HB LEU 98 HB2 LEU 98 -9.902 -4.939 10.482 756 2HB LEU 98 HB1 LEU 98 -8.362 -5.697 10.121 757 HG LEU 98 HG LEU 98 -10.751 -6.225 8.388 758 1HD1 LEU 98 HD11 LEU 98 -8.862 -4.097 7.590 759 2HD1 LEU 98 HD12 LEU 98 -10.068 -3.687 8.809 760 3HD1 LEU 98 HD13 LEU 98 -10.578 -4.288 7.232 761 1HD2 LEU 98 HD21 LEU 98 -9.125 -7.629 7.660 762 2HD2 LEU 98 HD22 LEU 98 -7.818 -6.606 8.257 763 3HD2 LEU 98 HD23 LEU 98 -8.647 -6.192 6.757 764 H LYS 99 HN LYS 99 -7.830 -6.814 12.203 765 HA LYS 99 HA LYS 99 -6.056 -8.637 11.026 766 1HB LYS 99 HB2 LYS 99 -5.838 -6.752 12.927 767 2HB LYS 99 HB1 LYS 99 -5.878 -8.178 13.950 768 1HG LYS 99 HG2 LYS 99 -3.948 -9.086 12.827 769 2HG LYS 99 HG1 LYS 99 -3.937 -7.729 11.696 770 1HD LYS 99 HD2 LYS 99 -2.338 -7.099 13.256 771 2HD LYS 99 HD1 LYS 99 -3.784 -6.269 13.830 772 1HE LYS 99 HE2 LYS 99 -4.182 -8.091 15.426 773 2HE LYS 99 HE1 LYS 99 -2.718 -8.895 14.863 774 1HZ LYS 99 HZ1 LYS 99 -1.387 -7.155 15.714 775 2HZ LYS 99 HZ2 LYS 99 -2.477 -7.555 16.943 776 3HZ LYS 99 HZ3 LYS 99 -2.724 -6.163 16.015 777 H GLU 100 HN GLU 100 -8.247 -8.971 13.785 778 HA GLU 100 HA GLU 100 -7.512 -11.577 14.510 779 1HB GLU 100 HB2 GLU 100 -9.436 -11.621 15.868 780 2HB GLU 100 HB1 GLU 100 -8.940 -9.937 15.830 781 1HG GLU 100 HG2 GLU 100 -11.132 -9.619 15.476 782 2HG GLU 100 HG1 GLU 100 -10.667 -9.908 13.805 783 H PHE 101 HN PHE 101 -9.822 -10.356 12.166 784 HA PHE 101 HA PHE 101 -11.075 -12.779 11.482 785 1HB PHE 101 HB2 PHE 101 -11.816 -10.427 10.881 786 2HB PHE 101 HB1 PHE 101 -10.569 -10.434 9.641 787 HD1 PHE 101 HD1 PHE 101 -12.856 -13.180 10.654 788 HD2 PHE 101 HD2 PHE 101 -11.747 -10.375 7.651 789 HE1 PHE 101 HE1 PHE 101 -14.417 -14.253 9.084 790 HE2 PHE 101 HE2 PHE 101 -13.305 -11.447 6.073 791 HZ PHE 101 HZ PHE 101 -14.643 -13.386 6.792 792 H LEU 102 HN LEU 102 -8.198 -11.159 10.227 793 HA LEU 102 HA LEU 102 -7.755 -12.984 8.092 794 1HB LEU 102 HB2 LEU 102 -6.223 -10.803 9.379 795 2HB LEU 102 HB1 LEU 102 -5.291 -12.007 8.507 796 HG LEU 102 HG LEU 102 -7.612 -10.558 7.260 797 1HD1 LEU 102 HD11 LEU 102 -6.251 -8.760 7.665 798 2HD1 LEU 102 HD12 LEU 102 -5.618 -9.316 6.114 799 3HD1 LEU 102 HD13 LEU 102 -4.775 -9.724 7.609 800 1HD2 LEU 102 HD21 LEU 102 -6.526 -12.782 6.388 801 2HD2 LEU 102 HD22 LEU 102 -5.271 -11.689 5.806 802 3HD2 LEU 102 HD23 LEU 102 -6.938 -11.480 5.273 803 H ASP 103 HN ASP 103 -6.105 -12.597 11.246 804 HA ASP 103 HA ASP 103 -4.422 -14.768 11.142 805 1HB ASP 103 HB2 ASP 103 -5.096 -13.015 13.091 806 2HB ASP 103 HB1 ASP 103 -5.897 -14.459 13.702 807 H ALA 104 HN ALA 104 -7.874 -14.698 11.634 808 HA ALA 104 HA ALA 104 -8.177 -17.433 12.378 809 1HB ALA 104 HB1 ALA 104 -10.480 -16.046 11.180 810 2HB ALA 104 HB2 ALA 104 -9.757 -15.269 12.589 811 3HB ALA 104 HB3 ALA 104 -10.344 -16.928 12.700 812 H ASN 105 HN ASN 105 -7.946 -15.817 9.267 813 HA ASN 105 HA ASN 105 -8.926 -18.250 7.919 814 1HB ASN 105 HB2 ASN 105 -9.472 -15.536 7.525 815 2HB ASN 105 HB1 ASN 105 -8.393 -15.960 6.202 816 1HD2 ASN 105 HD21 ASN 105 -9.659 -16.092 4.508 817 2HD2 ASN 105 HD22 ASN 105 -11.090 -17.054 4.375 818 H LEU 106 HN LEU 106 -6.195 -16.155 8.321 819 HA LEU 106 HA LEU 106 -4.588 -16.918 6.141 820 1HB LEU 106 HB2 LEU 106 -4.353 -14.905 7.558 821 2HB LEU 106 HB1 LEU 106 -3.827 -15.915 8.881 822 HG LEU 106 HG LEU 106 -2.274 -15.846 6.311 823 1HD1 LEU 106 HD11 LEU 106 -0.890 -14.067 7.371 824 2HD1 LEU 106 HD12 LEU 106 -2.139 -13.889 8.602 825 3HD1 LEU 106 HD13 LEU 106 -2.506 -13.529 6.916 826 1HD2 LEU 106 HD21 LEU 106 -2.022 -17.232 8.726 827 2HD2 LEU 106 HD22 LEU 106 -0.808 -15.957 8.794 828 3HD2 LEU 106 HD23 LEU 106 -0.817 -17.094 7.446 829 H VAL 107 HN VAL 107 -5.652 -18.903 8.530 830 HA VAL 107 HA VAL 107 -3.184 -20.364 8.954 831 HB VAL 107 HB VAL 107 -4.440 -21.647 10.562 832 1HG1 VAL 107 HG11 VAL 107 -4.742 -19.928 12.073 833 2HG1 VAL 107 HG12 VAL 107 -5.480 -18.873 10.868 834 3HG1 VAL 107 HG13 VAL 107 -3.740 -19.154 10.844 835 1HG2 VAL 107 HG21 VAL 107 -6.671 -21.937 10.502 836 2HG2 VAL 107 HG22 VAL 107 -6.626 -21.173 8.913 837 3HG2 VAL 107 HG23 VAL 107 -6.963 -20.205 10.347 Start of MODEL 9 1 1H MET 1 HT1 MET 1 3.299 -6.023 -3.786 2 2H MET 1 HT2 MET 1 2.463 -6.861 -2.544 3 3H MET 1 HT3 MET 1 3.995 -6.155 -2.225 4 HA MET 1 HA MET 1 2.483 -4.729 -1.285 5 1HB MET 1 HB2 MET 1 3.539 -3.921 -3.973 6 2HB MET 1 HB1 MET 1 2.541 -2.793 -3.065 7 1HG MET 1 HG2 MET 1 4.169 -2.332 -1.601 8 2HG MET 1 HG1 MET 1 4.695 -4.010 -1.503 9 1HE MET 1 HE1 MET 1 6.829 -3.953 -1.342 10 2HE MET 1 HE2 MET 1 8.053 -3.143 -2.321 11 3HE MET 1 HE3 MET 1 7.338 -4.656 -2.877 12 H VAL 2 HN VAL 2 0.681 -3.111 -1.761 13 HA VAL 2 HA VAL 2 -1.646 -4.545 -2.538 14 HB VAL 2 HB VAL 2 -1.258 -1.618 -1.913 15 1HG1 VAL 2 HG11 VAL 2 -3.576 -1.328 -1.799 16 2HG1 VAL 2 HG12 VAL 2 -3.888 -3.058 -1.723 17 3HG1 VAL 2 HG13 VAL 2 -3.375 -2.324 -3.238 18 1HG2 VAL 2 HG21 VAL 2 -2.524 -2.693 0.242 19 2HG2 VAL 2 HG22 VAL 2 -0.778 -2.492 0.113 20 3HG2 VAL 2 HG23 VAL 2 -1.514 -4.048 -0.266 21 H LYS 3 HN LYS 3 -3.064 -4.202 -4.361 22 HA LYS 3 HA LYS 3 -2.004 -2.399 -6.419 23 1HB LYS 3 HB2 LYS 3 -2.589 -4.353 -8.082 24 2HB LYS 3 HB1 LYS 3 -1.017 -4.283 -7.304 25 1HG LYS 3 HG2 LYS 3 -1.782 -5.903 -5.632 26 2HG LYS 3 HG1 LYS 3 -3.348 -5.979 -6.444 27 1HD LYS 3 HD2 LYS 3 -2.419 -7.714 -7.534 28 2HD LYS 3 HD1 LYS 3 -1.681 -6.450 -8.521 29 1HE LYS 3 HE2 LYS 3 0.259 -6.472 -6.946 30 2HE LYS 3 HE1 LYS 3 -0.462 -7.880 -6.166 31 1HZ LYS 3 HZ1 LYS 3 -0.062 -9.203 -7.979 32 2HZ LYS 3 HZ2 LYS 3 1.292 -8.189 -8.029 33 3HZ LYS 3 HZ3 LYS 3 -0.012 -7.910 -9.070 34 H GLN 4 HN GLN 4 -3.481 -1.256 -7.283 35 HA GLN 4 HA GLN 4 -6.243 -1.597 -6.642 36 1HB GLN 4 HB2 GLN 4 -5.126 0.581 -6.699 37 2HB GLN 4 HB1 GLN 4 -4.787 0.374 -8.413 38 1HG GLN 4 HG2 GLN 4 -6.696 1.408 -8.867 39 2HG GLN 4 HG1 GLN 4 -7.579 0.077 -8.105 40 1HE2 GLN 4 HE21 GLN 4 -8.613 0.444 -6.226 41 2HE2 GLN 4 HE22 GLN 4 -8.536 1.928 -5.349 42 H ILE 5 HN ILE 5 -7.684 -2.764 -7.843 43 HA ILE 5 HA ILE 5 -6.934 -3.454 -10.603 44 HB ILE 5 HB ILE 5 -8.830 -4.816 -8.681 45 1HG1 ILE 5 HG12 ILE 5 -7.262 -6.753 -9.286 46 2HG1 ILE 5 HG11 ILE 5 -6.203 -5.513 -9.955 47 1HG2 ILE 5 HG21 ILE 5 -8.654 -4.987 -11.624 48 2HG2 ILE 5 HG22 ILE 5 -10.009 -5.346 -10.552 49 3HG2 ILE 5 HG23 ILE 5 -8.710 -6.516 -10.760 50 1HD1 ILE 5 HD11 ILE 5 -6.246 -6.414 -7.378 51 2HD1 ILE 5 HD12 ILE 5 -7.101 -4.870 -7.308 52 3HD1 ILE 5 HD13 ILE 5 -5.472 -4.945 -7.973 53 H GLU 6 HN GLU 6 -7.817 -2.202 -12.086 54 HA GLU 6 HA GLU 6 -10.464 -1.088 -11.588 55 1HB GLU 6 HB2 GLU 6 -8.126 -0.251 -13.163 56 2HB GLU 6 HB1 GLU 6 -9.697 0.124 -13.853 57 1HG GLU 6 HG2 GLU 6 -10.192 1.648 -12.244 58 2HG GLU 6 HG1 GLU 6 -9.306 0.772 -10.995 59 H SER 7 HN SER 7 -9.779 -3.902 -12.578 60 HA SER 7 HA SER 7 -11.867 -3.965 -14.577 61 1HB SER 7 HB2 SER 7 -9.004 -4.344 -15.260 62 2HB SER 7 HB1 SER 7 -10.127 -5.524 -15.934 63 HG SER 7 HG SER 7 -9.802 -3.664 -17.279 64 H LYS 8 HN LYS 8 -12.534 -6.195 -15.098 65 HA LYS 8 HA LYS 8 -12.443 -7.827 -12.742 66 1HB LYS 8 HB2 LYS 8 -14.513 -7.614 -14.007 67 2HB LYS 8 HB1 LYS 8 -13.737 -8.285 -15.433 68 1HG LYS 8 HG2 LYS 8 -13.310 -10.240 -13.581 69 2HG LYS 8 HG1 LYS 8 -14.892 -9.617 -13.113 70 1HD LYS 8 HD2 LYS 8 -15.457 -11.250 -14.642 71 2HD LYS 8 HD1 LYS 8 -15.428 -9.803 -15.650 72 1HE LYS 8 HE2 LYS 8 -13.403 -10.391 -16.647 73 2HE LYS 8 HE1 LYS 8 -12.985 -11.515 -15.354 74 1HZ LYS 8 HZ1 LYS 8 -15.181 -12.672 -16.264 75 2HZ LYS 8 HZ2 LYS 8 -13.650 -13.001 -16.905 76 3HZ LYS 8 HZ3 LYS 8 -14.680 -11.914 -17.692 77 H THR 9 HN THR 9 -10.713 -7.662 -15.694 78 HA THR 9 HA THR 9 -9.812 -10.398 -15.668 79 HB THR 9 HB THR 9 -8.697 -8.024 -17.178 80 HG1 THR 9 HG1 THR 9 -10.375 -8.203 -18.411 81 1HG2 THR 9 HG21 THR 9 -8.401 -10.295 -18.708 82 2HG2 THR 9 HG22 THR 9 -7.971 -10.819 -17.080 83 3HG2 THR 9 HG23 THR 9 -7.132 -9.455 -17.818 84 H ALA 10 HN ALA 10 -8.769 -7.292 -14.493 85 HA ALA 10 HA ALA 10 -6.098 -7.958 -13.853 86 1HB ALA 10 HB1 ALA 10 -7.973 -5.742 -13.295 87 2HB ALA 10 HB2 ALA 10 -6.319 -5.694 -13.900 88 3HB ALA 10 HB3 ALA 10 -6.622 -5.925 -12.177 89 H PHE 11 HN PHE 11 -9.150 -8.106 -12.077 90 HA PHE 11 HA PHE 11 -8.170 -8.673 -9.504 91 1HB PHE 11 HB2 PHE 11 -10.572 -8.129 -10.225 92 2HB PHE 11 HB1 PHE 11 -10.719 -9.822 -10.680 93 HD1 PHE 11 HD1 PHE 11 -9.262 -8.027 -7.745 94 HD2 PHE 11 HD2 PHE 11 -11.961 -10.993 -9.163 95 HE1 PHE 11 HE1 PHE 11 -9.851 -8.597 -5.429 96 HE2 PHE 11 HE2 PHE 11 -12.552 -11.570 -6.847 97 HZ PHE 11 HZ PHE 11 -11.496 -10.372 -4.975 98 H GLN 12 HN GLN 12 -9.091 -10.853 -12.157 99 HA GLN 12 HA GLN 12 -8.459 -13.238 -10.757 100 1HB GLN 12 HB2 GLN 12 -8.279 -12.869 -13.749 101 2HB GLN 12 HB1 GLN 12 -8.616 -14.350 -12.864 102 1HG GLN 12 HG2 GLN 12 -10.486 -12.121 -12.441 103 2HG GLN 12 HG1 GLN 12 -10.504 -12.851 -14.035 104 1HE2 GLN 12 HE21 GLN 12 -10.069 -14.194 -10.777 105 2HE2 GLN 12 HE22 GLN 12 -11.351 -15.326 -10.892 106 H GLU 13 HN GLU 13 -6.612 -11.032 -12.769 107 HA GLU 13 HA GLU 13 -4.276 -12.524 -13.091 108 1HB GLU 13 HB2 GLU 13 -5.077 -9.698 -13.314 109 2HB GLU 13 HB1 GLU 13 -3.361 -9.963 -13.035 110 1HG GLU 13 HG2 GLU 13 -3.252 -11.394 -15.001 111 2HG GLU 13 HG1 GLU 13 -4.981 -11.169 -15.266 112 H ALA 14 HN ALA 14 -5.138 -10.152 -10.567 113 HA ALA 14 HA ALA 14 -2.677 -10.330 -9.177 114 1HB ALA 14 HB1 ALA 14 -4.041 -9.275 -7.308 115 2HB ALA 14 HB2 ALA 14 -5.408 -9.322 -8.422 116 3HB ALA 14 HB3 ALA 14 -3.967 -8.390 -8.831 117 H LEU 15 HN LEU 15 -5.706 -12.075 -9.001 118 HA LEU 15 HA LEU 15 -5.240 -13.392 -6.550 119 1HB LEU 15 HB2 LEU 15 -7.000 -13.912 -8.913 120 2HB LEU 15 HB1 LEU 15 -6.861 -15.107 -7.651 121 HG LEU 15 HG LEU 15 -7.734 -12.260 -7.171 122 1HD1 LEU 15 HD11 LEU 15 -9.473 -13.084 -8.439 123 2HD1 LEU 15 HD12 LEU 15 -9.977 -13.530 -6.810 124 3HD1 LEU 15 HD13 LEU 15 -9.252 -14.739 -7.873 125 1HD2 LEU 15 HD21 LEU 15 -8.287 -12.955 -4.997 126 2HD2 LEU 15 HD22 LEU 15 -6.693 -13.647 -5.291 127 3HD2 LEU 15 HD23 LEU 15 -8.131 -14.663 -5.404 128 H ASP 16 HN ASP 16 -4.505 -14.271 -9.917 129 HA ASP 16 HA ASP 16 -3.531 -16.863 -9.411 130 1HB ASP 16 HB2 ASP 16 -3.305 -14.879 -11.616 131 2HB ASP 16 HB1 ASP 16 -2.101 -16.165 -11.577 132 H ALA 17 HN ALA 17 -2.131 -13.695 -9.095 133 HA ALA 17 HA ALA 17 0.573 -14.607 -8.800 134 1HB ALA 17 HB1 ALA 17 -0.822 -11.982 -8.506 135 2HB ALA 17 HB2 ALA 17 0.480 -12.437 -9.603 136 3HB ALA 17 HB3 ALA 17 0.817 -12.179 -7.890 137 H ALA 18 HN ALA 18 -2.171 -14.266 -6.763 138 HA ALA 18 HA ALA 18 -0.825 -14.010 -4.265 139 1HB ALA 18 HB1 ALA 18 -2.975 -14.627 -3.275 140 2HB ALA 18 HB2 ALA 18 -3.599 -15.011 -4.880 141 3HB ALA 18 HB3 ALA 18 -3.145 -13.354 -4.484 142 H GLY 19 HN GLY 19 -1.815 -16.793 -6.288 143 1HA GLY 19 HA2 GLY 19 -1.303 -18.964 -6.089 144 2HA GLY 19 HA1 GLY 19 0.052 -18.455 -5.088 145 H ASP 20 HN ASP 20 0.077 -19.524 -3.245 146 HA ASP 20 HA ASP 20 -2.403 -20.550 -2.108 147 1HB ASP 20 HB2 ASP 20 -0.294 -21.940 -2.346 148 2HB ASP 20 HB1 ASP 20 0.400 -20.948 -1.066 149 H LYS 21 HN LYS 21 -1.045 -17.663 -1.945 150 HA LYS 21 HA LYS 21 -0.959 -17.271 0.896 151 1HB LYS 21 HB2 LYS 21 -0.846 -15.303 -1.377 152 2HB LYS 21 HB1 LYS 21 -0.524 -14.932 0.309 153 1HG LYS 21 HG2 LYS 21 1.405 -16.380 0.305 154 2HG LYS 21 HG1 LYS 21 1.033 -16.910 -1.334 155 1HD LYS 21 HD2 LYS 21 1.570 -14.819 -2.252 156 2HD LYS 21 HD1 LYS 21 1.541 -14.028 -0.673 157 1HE LYS 21 HE2 LYS 21 3.604 -14.835 -0.077 158 2HE LYS 21 HE1 LYS 21 3.467 -16.254 -1.116 159 1HZ LYS 21 HZ1 LYS 21 4.299 -15.165 -2.868 160 2HZ LYS 21 HZ2 LYS 21 4.974 -14.147 -1.700 161 3HZ LYS 21 HZ3 LYS 21 3.545 -13.698 -2.489 162 H LEU 22 HN LEU 22 -2.396 -15.901 2.068 163 HA LEU 22 HA LEU 22 -5.132 -16.166 1.273 164 1HB LEU 22 HB2 LEU 22 -4.495 -16.459 3.588 165 2HB LEU 22 HB1 LEU 22 -3.784 -14.860 3.644 166 HG LEU 22 HG LEU 22 -5.821 -13.802 3.825 167 1HD1 LEU 22 HD11 LEU 22 -7.245 -14.320 2.164 168 2HD1 LEU 22 HD12 LEU 22 -7.958 -15.374 3.383 169 3HD1 LEU 22 HD13 LEU 22 -6.835 -16.036 2.195 170 1HD2 LEU 22 HD21 LEU 22 -6.493 -16.464 5.045 171 2HD2 LEU 22 HD22 LEU 22 -7.024 -14.862 5.556 172 3HD2 LEU 22 HD23 LEU 22 -5.335 -15.331 5.745 173 H VAL 23 HN VAL 23 -6.316 -14.688 0.209 174 HA VAL 23 HA VAL 23 -5.159 -12.010 -0.198 175 HB VAL 23 HB VAL 23 -7.335 -13.164 -1.895 176 1HG1 VAL 23 HG11 VAL 23 -7.181 -11.181 -2.876 177 2HG1 VAL 23 HG12 VAL 23 -5.517 -11.551 -3.327 178 3HG1 VAL 23 HG13 VAL 23 -5.856 -10.728 -1.805 179 1HG2 VAL 23 HG21 VAL 23 -4.474 -13.907 -1.865 180 2HG2 VAL 23 HG22 VAL 23 -5.173 -13.553 -3.447 181 3HG2 VAL 23 HG23 VAL 23 -5.879 -14.812 -2.435 182 H VAL 24 HN VAL 24 -5.974 -10.470 0.949 183 HA VAL 24 HA VAL 24 -8.828 -10.589 1.663 184 HB VAL 24 HB VAL 24 -7.349 -10.548 3.619 185 1HG1 VAL 24 HG11 VAL 24 -5.747 -8.895 2.117 186 2HG1 VAL 24 HG12 VAL 24 -5.555 -9.240 3.834 187 3HG1 VAL 24 HG13 VAL 24 -6.435 -7.801 3.315 188 1HG2 VAL 24 HG21 VAL 24 -8.418 -7.811 3.719 189 2HG2 VAL 24 HG22 VAL 24 -8.709 -9.187 4.781 190 3HG2 VAL 24 HG23 VAL 24 -9.568 -9.061 3.244 191 H VAL 25 HN VAL 25 -10.017 -9.310 0.462 192 HA VAL 25 HA VAL 25 -8.789 -6.832 -0.501 193 HB VAL 25 HB VAL 25 -10.172 -7.124 -2.607 194 1HG1 VAL 25 HG11 VAL 25 -8.300 -9.422 -2.357 195 2HG1 VAL 25 HG12 VAL 25 -7.677 -7.790 -2.135 196 3HG1 VAL 25 HG13 VAL 25 -8.462 -8.238 -3.653 197 1HG2 VAL 25 HG21 VAL 25 -11.717 -8.733 -2.434 198 2HG2 VAL 25 HG22 VAL 25 -10.811 -9.624 -1.214 199 3HG2 VAL 25 HG23 VAL 25 -10.383 -9.780 -2.915 200 H ASP 26 HN ASP 26 -9.964 -5.055 -0.608 201 HA ASP 26 HA ASP 26 -12.510 -5.069 0.856 202 1HB ASP 26 HB2 ASP 26 -10.548 -3.823 1.836 203 2HB ASP 26 HB1 ASP 26 -10.644 -2.724 0.460 204 H PHE 27 HN PHE 27 -14.319 -4.462 -0.139 205 HA PHE 27 HA PHE 27 -14.115 -3.382 -2.859 206 1HB PHE 27 HB2 PHE 27 -16.132 -4.987 -1.394 207 2HB PHE 27 HB1 PHE 27 -16.772 -3.778 -2.516 208 HD1 PHE 27 HD1 PHE 27 -14.617 -6.765 -2.247 209 HD2 PHE 27 HD2 PHE 27 -16.573 -4.032 -4.860 210 HE1 PHE 27 HE1 PHE 27 -14.123 -8.252 -4.150 211 HE2 PHE 27 HE2 PHE 27 -16.102 -5.507 -6.769 212 HZ PHE 27 HZ PHE 27 -14.876 -7.623 -6.423 213 H SER 28 HN SER 28 -13.985 -1.207 -2.882 214 HA SER 28 HA SER 28 -15.711 0.292 -1.014 215 1HB SER 28 HB2 SER 28 -13.999 2.090 -1.129 216 2HB SER 28 HB1 SER 28 -13.369 0.582 -0.467 217 HG SER 28 HG SER 28 -12.018 1.597 -2.087 218 H ALA 29 HN ALA 29 -15.486 2.762 -1.913 219 HA ALA 29 HA ALA 29 -16.093 2.941 -4.741 220 1HB ALA 29 HB1 ALA 29 -18.176 3.201 -2.615 221 2HB ALA 29 HB2 ALA 29 -18.285 2.457 -4.209 222 3HB ALA 29 HB3 ALA 29 -18.280 4.212 -4.056 223 H THR 30 HN THR 30 -16.239 5.193 -5.463 224 HA THR 30 HA THR 30 -14.398 6.894 -4.087 225 HB THR 30 HB THR 30 -16.209 7.929 -6.228 226 HG1 THR 30 HG1 THR 30 -15.324 6.711 -7.752 227 1HG2 THR 30 HG21 THR 30 -13.245 8.100 -6.298 228 2HG2 THR 30 HG22 THR 30 -14.128 9.112 -5.155 229 3HG2 THR 30 HG23 THR 30 -14.460 9.238 -6.883 230 H TRP 31 HN TRP 31 -17.848 6.700 -4.415 231 HA TRP 31 HA TRP 31 -18.349 9.172 -2.976 232 1HB TRP 31 HB2 TRP 31 -20.722 8.607 -3.357 233 2HB TRP 31 HB1 TRP 31 -19.787 8.554 -4.851 234 HD1 TRP 31 HD1 TRP 31 -19.058 5.979 -5.686 235 HE1 TRP 31 HE1 TRP 31 -20.354 3.738 -5.394 236 HE3 TRP 31 HE3 TRP 31 -22.389 7.378 -2.057 237 HZ2 TRP 31 HZ2 TRP 31 -22.516 2.763 -3.935 238 HZ3 TRP 31 HZ3 TRP 31 -24.041 5.734 -1.280 239 HH2 TRP 31 HH2 TRP 31 -24.102 3.472 -2.200 240 H CYS 32 HN CYS 32 -17.190 6.449 -1.847 241 HA CYS 32 HA CYS 32 -19.060 6.154 0.384 242 1HB CYS 32 HB2 CYS 32 -18.354 4.102 -0.862 243 2HB CYS 32 HB1 CYS 32 -16.703 4.392 -0.323 244 H GLY 33 HN GLY 33 -18.559 6.818 2.389 245 1HA GLY 33 HA2 GLY 33 -16.044 8.239 2.740 246 2HA GLY 33 HA1 GLY 33 -17.415 8.262 3.840 247 HA PRO 34 HA PRO 34 -15.807 5.236 6.631 248 1HB PRO 34 HB2 PRO 34 -17.631 3.121 5.585 249 2HB PRO 34 HB1 PRO 34 -17.371 3.663 7.248 250 1HG PRO 34 HG2 PRO 34 -19.561 4.377 5.914 251 2HG PRO 34 HG1 PRO 34 -18.742 5.519 6.995 252 1HD PRO 34 HD2 PRO 34 -18.744 5.395 4.013 253 2HD PRO 34 HD1 PRO 34 -18.704 6.809 5.085 254 H CYS 35 HN CYS 35 -16.321 4.052 3.359 255 HA CYS 35 HA CYS 35 -14.647 1.820 3.389 256 1HB CYS 35 HB2 CYS 35 -15.214 3.738 1.119 257 2HB CYS 35 HB1 CYS 35 -14.487 2.147 0.935 258 H LYS 36 HN LYS 36 -13.946 5.224 2.786 259 HA LYS 36 HA LYS 36 -11.194 4.848 2.144 260 1HB LYS 36 HB2 LYS 36 -12.775 7.275 2.998 261 2HB LYS 36 HB1 LYS 36 -11.084 7.337 2.521 262 1HG LYS 36 HG2 LYS 36 -11.588 6.714 0.303 263 2HG LYS 36 HG1 LYS 36 -13.233 6.243 0.734 264 1HD LYS 36 HD2 LYS 36 -13.712 8.295 -0.103 265 2HD LYS 36 HD1 LYS 36 -13.286 8.799 1.534 266 1HE LYS 36 HE2 LYS 36 -10.855 8.851 0.472 267 2HE LYS 36 HE1 LYS 36 -11.780 9.108 -1.007 268 1HZ LYS 36 HZ1 LYS 36 -11.336 10.888 1.216 269 2HZ LYS 36 HZ2 LYS 36 -12.949 10.819 0.714 270 3HZ LYS 36 HZ3 LYS 36 -11.738 11.241 -0.389 271 H MET 37 HN MET 37 -12.968 4.949 5.071 272 HA MET 37 HA MET 37 -10.855 5.864 6.773 273 1HB MET 37 HB2 MET 37 -13.447 4.443 7.389 274 2HB MET 37 HB1 MET 37 -12.345 5.068 8.610 275 1HG MET 37 HG2 MET 37 -12.608 7.318 7.411 276 2HG MET 37 HG1 MET 37 -14.007 6.579 6.633 277 1HE MET 37 HE1 MET 37 -12.990 8.876 9.074 278 2HE MET 37 HE2 MET 37 -14.426 9.042 10.084 279 3HE MET 37 HE3 MET 37 -14.550 9.243 8.336 280 H ILE 38 HN ILE 38 -11.792 2.799 5.433 281 HA ILE 38 HA ILE 38 -10.277 1.256 7.357 282 HB ILE 38 HB ILE 38 -11.506 0.368 4.747 283 1HG1 ILE 38 HG12 ILE 38 -12.956 1.422 6.741 284 2HG1 ILE 38 HG11 ILE 38 -13.536 0.098 5.739 285 1HG2 ILE 38 HG21 ILE 38 -9.831 -1.166 5.566 286 2HG2 ILE 38 HG22 ILE 38 -11.435 -1.873 5.749 287 3HG2 ILE 38 HG23 ILE 38 -10.600 -1.208 7.153 288 1HD1 ILE 38 HD11 ILE 38 -12.273 -0.154 8.458 289 2HD1 ILE 38 HD12 ILE 38 -12.840 -1.493 7.461 290 3HD1 ILE 38 HD13 ILE 38 -13.989 -0.306 8.080 291 H LYS 39 HN LYS 39 -9.704 2.862 4.365 292 HA LYS 39 HA LYS 39 -7.768 1.297 3.160 293 1HB LYS 39 HB2 LYS 39 -8.533 4.119 3.091 294 2HB LYS 39 HB1 LYS 39 -6.828 3.860 2.744 295 1HG LYS 39 HG2 LYS 39 -7.364 2.379 0.933 296 2HG LYS 39 HG1 LYS 39 -9.080 2.438 1.341 297 1HD LYS 39 HD2 LYS 39 -8.639 3.887 -0.544 298 2HD LYS 39 HD1 LYS 39 -9.079 4.856 0.864 299 1HE LYS 39 HE2 LYS 39 -6.727 5.337 1.282 300 2HE LYS 39 HE1 LYS 39 -6.267 4.337 -0.096 301 1HZ LYS 39 HZ1 LYS 39 -7.295 5.847 -1.582 302 2HZ LYS 39 HZ2 LYS 39 -6.337 6.773 -0.542 303 3HZ LYS 39 HZ3 LYS 39 -8.013 6.722 -0.325 304 HA PRO 40 HA PRO 40 -4.457 3.805 5.882 305 1HB PRO 40 HB2 PRO 40 -6.224 3.990 8.281 306 2HB PRO 40 HB1 PRO 40 -4.980 5.104 7.707 307 1HG PRO 40 HG2 PRO 40 -7.574 5.644 7.367 308 2HG PRO 40 HG1 PRO 40 -6.372 6.070 6.135 309 1HD PRO 40 HD2 PRO 40 -8.386 3.884 6.143 310 2HD PRO 40 HD1 PRO 40 -7.715 4.801 4.780 311 H PHE 41 HN PHE 41 -6.831 1.819 7.700 312 HA PHE 41 HA PHE 41 -4.757 0.349 9.031 313 1HB PHE 41 HB2 PHE 41 -7.634 -0.495 8.809 314 2HB PHE 41 HB1 PHE 41 -6.494 -0.829 10.107 315 HD1 PHE 41 HD1 PHE 41 -5.410 1.635 10.922 316 HD2 PHE 41 HD2 PHE 41 -9.343 0.832 9.515 317 HE1 PHE 41 HE1 PHE 41 -6.247 3.592 12.157 318 HE2 PHE 41 HE2 PHE 41 -10.188 2.785 10.746 319 HZ PHE 41 HZ PHE 41 -8.639 4.170 12.068 320 H PHE 42 HN PHE 42 -6.720 -0.160 6.154 321 HA PHE 42 HA PHE 42 -6.203 -2.922 5.896 322 1HB PHE 42 HB2 PHE 42 -7.903 -1.345 4.648 323 2HB PHE 42 HB1 PHE 42 -6.588 -1.179 3.491 324 HD1 PHE 42 HD1 PHE 42 -8.619 -3.710 5.267 325 HD2 PHE 42 HD2 PHE 42 -6.335 -2.771 1.803 326 HE1 PHE 42 HE1 PHE 42 -9.354 -5.808 4.223 327 HE2 PHE 42 HE2 PHE 42 -7.072 -4.867 0.748 328 HZ PHE 42 HZ PHE 42 -8.583 -6.389 1.959 329 H HIS 43 HN HIS 43 -4.609 -0.050 4.536 330 HA HIS 43 HA HIS 43 -2.642 -1.504 3.108 331 1HB HIS 43 HB2 HIS 43 -3.386 1.144 3.200 332 2HB HIS 43 HB1 HIS 43 -1.799 1.168 3.973 333 HD1 HIS 43 HD1 HIS 43 -2.961 1.887 0.837 334 HD2 HIS 43 HD2 HIS 43 -0.158 -0.871 2.161 335 HE1 HIS 43 HE1 HIS 43 -1.512 1.325 -1.160 336 H SER 44 HN SER 44 -2.647 -0.082 6.381 337 HA SER 44 HA SER 44 0.062 -0.494 6.929 338 1HB SER 44 HB2 SER 44 -1.829 0.743 8.292 339 2HB SER 44 HB1 SER 44 -1.969 -0.813 9.109 340 HG SER 44 HG SER 44 -0.462 0.366 10.222 341 H LEU 45 HN LEU 45 -2.738 -2.617 7.457 342 HA LEU 45 HA LEU 45 -1.396 -4.702 8.745 343 1HB LEU 45 HB2 LEU 45 -3.782 -4.764 6.897 344 2HB LEU 45 HB1 LEU 45 -3.218 -6.165 7.790 345 HG LEU 45 HG LEU 45 -3.979 -3.620 9.196 346 1HD1 LEU 45 HD11 LEU 45 -5.771 -4.869 7.628 347 2HD1 LEU 45 HD12 LEU 45 -6.184 -4.071 9.146 348 3HD1 LEU 45 HD13 LEU 45 -5.938 -5.817 9.105 349 1HD2 LEU 45 HD21 LEU 45 -2.799 -5.073 10.618 350 2HD2 LEU 45 HD22 LEU 45 -3.627 -6.496 9.986 351 3HD2 LEU 45 HD23 LEU 45 -4.500 -5.344 10.996 352 H SER 46 HN SER 46 -1.746 -3.919 5.342 353 HA SER 46 HA SER 46 -0.747 -6.233 4.170 354 1HB SER 46 HB2 SER 46 -1.747 -4.243 2.972 355 2HB SER 46 HB1 SER 46 -0.201 -3.425 3.190 356 HG SER 46 HG SER 46 0.121 -4.357 1.300 357 H GLU 47 HN GLU 47 0.951 -3.595 5.795 358 HA GLU 47 HA GLU 47 3.543 -4.526 4.902 359 1HB GLU 47 HB2 GLU 47 2.486 -2.222 6.449 360 2HB GLU 47 HB1 GLU 47 4.126 -2.737 6.817 361 1HG GLU 47 HG2 GLU 47 4.214 -2.674 4.119 362 2HG GLU 47 HG1 GLU 47 3.050 -1.391 4.444 363 H LYS 48 HN LYS 48 1.355 -5.066 7.493 364 HA LYS 48 HA LYS 48 3.415 -6.153 9.254 365 1HB LYS 48 HB2 LYS 48 1.314 -4.746 9.961 366 2HB LYS 48 HB1 LYS 48 0.475 -6.284 9.833 367 1HG LYS 48 HG2 LYS 48 2.219 -7.218 11.420 368 2HG LYS 48 HG1 LYS 48 2.724 -5.550 11.692 369 1HD LYS 48 HD2 LYS 48 1.197 -5.622 13.357 370 2HD LYS 48 HD1 LYS 48 0.048 -5.325 12.053 371 1HE LYS 48 HE2 LYS 48 -0.975 -7.159 12.842 372 2HE LYS 48 HE1 LYS 48 0.264 -8.028 11.943 373 1HZ LYS 48 HZ1 LYS 48 1.342 -8.623 13.829 374 2HZ LYS 48 HZ2 LYS 48 -0.203 -8.466 14.496 375 3HZ LYS 48 HZ3 LYS 48 0.922 -7.215 14.671 376 H TYR 49 HN TYR 49 1.533 -7.185 6.707 377 HA TYR 49 HA TYR 49 1.603 -9.989 7.642 378 1HB TYR 49 HB2 TYR 49 -0.361 -8.496 5.961 379 2HB TYR 49 HB1 TYR 49 -0.107 -10.204 5.633 380 HD1 TYR 49 HD1 TYR 49 -1.174 -11.833 6.941 381 HD2 TYR 49 HD2 TYR 49 -1.003 -7.817 8.322 382 HE1 TYR 49 HE1 TYR 49 -2.720 -12.399 8.752 383 HE2 TYR 49 HE2 TYR 49 -2.542 -8.369 10.137 384 HH TYR 49 HH TYR 49 -3.096 -11.059 11.326 385 H SER 50 HN SER 50 3.662 -10.487 6.909 386 HA SER 50 HA SER 50 4.364 -10.007 4.124 387 1HB SER 50 HB2 SER 50 6.532 -10.885 4.681 388 2HB SER 50 HB1 SER 50 6.038 -9.844 6.017 389 HG SER 50 HG SER 50 6.840 -11.803 6.818 390 H ASN 51 HN ASN 51 2.100 -11.589 4.207 391 HA ASN 51 HA ASN 51 3.061 -13.944 2.901 392 1HB ASN 51 HB2 ASN 51 2.774 -14.415 5.495 393 2HB ASN 51 HB1 ASN 51 1.078 -14.617 5.030 394 1HD2 ASN 51 HD21 ASN 51 1.099 -16.849 5.416 395 2HD2 ASN 51 HD22 ASN 51 1.939 -17.951 4.387 396 H VAL 52 HN VAL 52 0.418 -11.876 3.852 397 HA VAL 52 HA VAL 52 -1.355 -13.061 1.843 398 HB VAL 52 HB VAL 52 -3.150 -11.840 2.837 399 1HG1 VAL 52 HG11 VAL 52 -1.706 -12.634 5.300 400 2HG1 VAL 52 HG12 VAL 52 -1.969 -13.857 4.059 401 3HG1 VAL 52 HG13 VAL 52 -3.346 -13.014 4.774 402 1HG2 VAL 52 HG21 VAL 52 -2.333 -10.505 5.046 403 2HG2 VAL 52 HG22 VAL 52 -2.626 -9.762 3.478 404 3HG2 VAL 52 HG23 VAL 52 -0.987 -10.194 3.949 405 H ILE 53 HN ILE 53 -2.543 -11.651 0.417 406 HA ILE 53 HA ILE 53 -0.928 -9.345 -0.402 407 HB ILE 53 HB ILE 53 -1.430 -11.518 -1.853 408 1HG1 ILE 53 HG12 ILE 53 -1.309 -9.902 -3.883 409 2HG1 ILE 53 HG11 ILE 53 -1.145 -8.655 -2.648 410 1HG2 ILE 53 HG21 ILE 53 -3.221 -11.308 -3.387 411 2HG2 ILE 53 HG22 ILE 53 -3.640 -9.708 -2.774 412 3HG2 ILE 53 HG23 ILE 53 -3.907 -11.130 -1.773 413 1HD1 ILE 53 HD11 ILE 53 0.744 -10.771 -3.479 414 2HD1 ILE 53 HD12 ILE 53 0.698 -10.367 -1.760 415 3HD1 ILE 53 HD13 ILE 53 1.041 -9.112 -2.954 416 H PHE 54 HN PHE 54 -1.717 -7.451 0.048 417 HA PHE 54 HA PHE 54 -4.599 -7.162 0.462 418 1HB PHE 54 HB2 PHE 54 -2.211 -5.613 1.365 419 2HB PHE 54 HB1 PHE 54 -3.740 -4.789 1.198 420 HD1 PHE 54 HD1 PHE 54 -2.687 -8.093 2.682 421 HD2 PHE 54 HD2 PHE 54 -4.819 -4.438 3.087 422 HE1 PHE 54 HE1 PHE 54 -3.456 -8.776 4.940 423 HE2 PHE 54 HE2 PHE 54 -5.584 -5.109 5.321 424 HZ PHE 54 HZ PHE 54 -4.906 -7.281 6.251 425 H LEU 55 HN LEU 55 -5.771 -6.430 -1.172 426 HA LEU 55 HA LEU 55 -4.587 -4.332 -2.822 427 1HB LEU 55 HB2 LEU 55 -5.004 -5.339 -4.779 428 2HB LEU 55 HB1 LEU 55 -4.668 -6.757 -3.797 429 HG LEU 55 HG LEU 55 -7.261 -6.726 -3.487 430 1HD1 LEU 55 HD11 LEU 55 -7.890 -5.967 -6.031 431 2HD1 LEU 55 HD12 LEU 55 -6.739 -4.736 -5.506 432 3HD1 LEU 55 HD13 LEU 55 -8.192 -5.045 -4.562 433 1HD2 LEU 55 HD21 LEU 55 -7.435 -8.147 -5.561 434 2HD2 LEU 55 HD22 LEU 55 -6.136 -8.594 -4.458 435 3HD2 LEU 55 HD23 LEU 55 -5.769 -7.691 -5.928 436 H GLU 56 HN GLU 56 -6.228 -3.163 -4.152 437 HA GLU 56 HA GLU 56 -8.727 -2.904 -2.625 438 1HB GLU 56 HB2 GLU 56 -6.833 -1.065 -2.747 439 2HB GLU 56 HB1 GLU 56 -7.681 -0.653 -4.234 440 1HG GLU 56 HG2 GLU 56 -9.528 0.099 -3.137 441 2HG GLU 56 HG1 GLU 56 -9.332 -1.040 -1.807 442 H VAL 57 HN VAL 57 -10.534 -3.268 -3.671 443 HA VAL 57 HA VAL 57 -10.525 -3.042 -6.605 444 HB VAL 57 HB VAL 57 -12.527 -4.664 -5.060 445 1HG1 VAL 57 HG11 VAL 57 -13.249 -4.334 -7.238 446 2HG1 VAL 57 HG12 VAL 57 -12.427 -5.894 -7.302 447 3HG1 VAL 57 HG13 VAL 57 -11.613 -4.446 -7.894 448 1HG2 VAL 57 HG21 VAL 57 -9.875 -5.615 -6.120 449 2HG2 VAL 57 HG22 VAL 57 -11.190 -6.662 -5.584 450 3HG2 VAL 57 HG23 VAL 57 -10.390 -5.589 -4.432 451 H ASP 58 HN ASP 58 -11.534 -1.304 -7.278 452 HA ASP 58 HA ASP 58 -13.576 0.005 -5.676 453 1HB ASP 58 HB2 ASP 58 -11.825 1.383 -6.675 454 2HB ASP 58 HB1 ASP 58 -12.212 0.755 -8.278 455 H VAL 59 HN VAL 59 -15.605 -0.638 -5.916 456 HA VAL 59 HA VAL 59 -16.543 -2.289 -7.938 457 HB VAL 59 HB VAL 59 -17.627 -1.975 -5.694 458 1HG1 VAL 59 HG11 VAL 59 -17.625 0.397 -5.474 459 2HG1 VAL 59 HG12 VAL 59 -19.313 -0.110 -5.544 460 3HG1 VAL 59 HG13 VAL 59 -18.544 0.601 -6.963 461 1HG2 VAL 59 HG21 VAL 59 -19.683 -1.489 -7.810 462 2HG2 VAL 59 HG22 VAL 59 -19.728 -2.604 -6.443 463 3HG2 VAL 59 HG23 VAL 59 -18.708 -2.955 -7.839 464 H ASP 60 HN ASP 60 -16.089 1.112 -7.936 465 HA ASP 60 HA ASP 60 -18.000 1.795 -9.901 466 1HB ASP 60 HB2 ASP 60 -16.113 3.175 -8.399 467 2HB ASP 60 HB1 ASP 60 -15.508 3.327 -10.043 468 H ASP 61 HN ASP 61 -14.643 0.666 -10.058 469 HA ASP 61 HA ASP 61 -14.741 0.664 -12.983 470 1HB ASP 61 HB2 ASP 61 -12.465 0.093 -11.071 471 2HB ASP 61 HB1 ASP 61 -12.325 0.145 -12.826 472 H ALA 62 HN ALA 62 -14.283 -1.569 -10.273 473 HA ALA 62 HA ALA 62 -14.253 -3.851 -12.089 474 1HB ALA 62 HB1 ALA 62 -14.290 -4.232 -9.150 475 2HB ALA 62 HB2 ALA 62 -12.872 -3.449 -9.852 476 3HB ALA 62 HB3 ALA 62 -13.348 -5.059 -10.391 477 H GLN 63 HN GLN 63 -16.626 -2.565 -12.314 478 HA GLN 63 HA GLN 63 -18.591 -3.659 -10.537 479 1HB GLN 63 HB2 GLN 63 -18.602 -1.572 -12.256 480 2HB GLN 63 HB1 GLN 63 -19.493 -2.767 -13.181 481 1HG GLN 63 HG2 GLN 63 -20.869 -3.067 -10.978 482 2HG GLN 63 HG1 GLN 63 -20.213 -1.465 -10.591 483 1HE2 GLN 63 HE21 GLN 63 -22.936 -2.636 -11.476 484 2HE2 GLN 63 HE22 GLN 63 -23.429 -1.563 -12.765 485 H ASP 64 HN ASP 64 -16.761 -5.084 -12.898 486 HA ASP 64 HA ASP 64 -18.874 -6.821 -13.889 487 1HB ASP 64 HB2 ASP 64 -15.998 -6.346 -14.601 488 2HB ASP 64 HB1 ASP 64 -16.680 -7.937 -14.937 489 H VAL 65 HN VAL 65 -16.387 -6.771 -11.447 490 HA VAL 65 HA VAL 65 -16.411 -9.651 -11.073 491 HB VAL 65 HB VAL 65 -14.824 -9.242 -9.203 492 1HG1 VAL 65 HG11 VAL 65 -14.166 -7.761 -11.747 493 2HG1 VAL 65 HG12 VAL 65 -13.978 -9.489 -11.466 494 3HG1 VAL 65 HG13 VAL 65 -12.995 -8.341 -10.560 495 1HG2 VAL 65 HG21 VAL 65 -15.796 -7.055 -8.521 496 2HG2 VAL 65 HG22 VAL 65 -15.032 -6.330 -9.932 497 3HG2 VAL 65 HG23 VAL 65 -14.043 -7.057 -8.669 498 H ALA 66 HN ALA 66 -17.542 -6.787 -9.311 499 HA ALA 66 HA ALA 66 -18.416 -7.867 -6.993 500 1HB ALA 66 HB1 ALA 66 -20.362 -5.976 -7.973 501 2HB ALA 66 HB2 ALA 66 -18.718 -5.451 -8.341 502 3HB ALA 66 HB3 ALA 66 -19.178 -5.814 -6.676 503 HA PRO 67 HA PRO 67 -22.812 -8.714 -9.002 504 1HB PRO 67 HB2 PRO 67 -21.936 -9.206 -11.803 505 2HB PRO 67 HB1 PRO 67 -23.383 -8.389 -11.199 506 1HG PRO 67 HG2 PRO 67 -21.364 -6.979 -12.211 507 2HG PRO 67 HG1 PRO 67 -22.264 -6.400 -10.803 508 1HD PRO 67 HD2 PRO 67 -19.570 -7.682 -10.946 509 2HD PRO 67 HD1 PRO 67 -20.129 -6.331 -9.940 510 H LYS 68 HN LYS 68 -19.875 -10.296 -10.021 511 HA LYS 68 HA LYS 68 -21.140 -12.849 -10.398 512 1HB LYS 68 HB2 LYS 68 -18.289 -11.923 -10.410 513 2HB LYS 68 HB1 LYS 68 -18.669 -13.639 -10.354 514 1HG LYS 68 HG2 LYS 68 -19.554 -13.663 -12.467 515 2HG LYS 68 HG1 LYS 68 -19.960 -11.946 -12.435 516 1HD LYS 68 HD2 LYS 68 -17.900 -11.309 -13.123 517 2HD LYS 68 HD1 LYS 68 -17.088 -12.611 -12.247 518 1HE LYS 68 HE2 LYS 68 -18.802 -13.386 -14.534 519 2HE LYS 68 HE1 LYS 68 -17.297 -12.554 -14.920 520 1HZ LYS 68 HZ1 LYS 68 -16.224 -14.282 -13.398 521 2HZ LYS 68 HZ2 LYS 68 -16.739 -14.799 -14.923 522 3HZ LYS 68 HZ3 LYS 68 -17.668 -15.150 -13.554 523 H TYR 69 HN TYR 69 -19.824 -11.133 -7.682 524 HA TYR 69 HA TYR 69 -19.729 -13.598 -6.085 525 1HB TYR 69 HB2 TYR 69 -18.762 -10.784 -5.519 526 2HB TYR 69 HB1 TYR 69 -18.674 -12.115 -4.377 527 HD1 TYR 69 HD1 TYR 69 -17.506 -14.300 -5.400 528 HD2 TYR 69 HD2 TYR 69 -16.852 -10.313 -6.740 529 HE1 TYR 69 HE1 TYR 69 -15.350 -14.980 -6.353 530 HE2 TYR 69 HE2 TYR 69 -14.691 -10.986 -7.694 531 HH TYR 69 HH TYR 69 -13.819 -14.169 -8.205 532 H GLY 70 HN GLY 70 -21.704 -11.049 -6.882 533 1HA GLY 70 HA2 GLY 70 -23.771 -10.389 -6.135 534 2HA GLY 70 HA1 GLY 70 -23.727 -11.751 -5.024 535 H ILE 71 HN ILE 71 -21.457 -8.996 -5.194 536 HA ILE 71 HA ILE 71 -21.772 -8.584 -2.367 537 HB ILE 71 HB ILE 71 -20.235 -6.946 -4.407 538 1HG1 ILE 71 HG12 ILE 71 -19.247 -9.044 -2.462 539 2HG1 ILE 71 HG11 ILE 71 -19.407 -9.271 -4.202 540 1HG2 ILE 71 HG21 ILE 71 -20.558 -6.760 -1.457 541 2HG2 ILE 71 HG22 ILE 71 -20.430 -5.481 -2.664 542 3HG2 ILE 71 HG23 ILE 71 -18.990 -6.367 -2.162 543 1HD1 ILE 71 HD11 ILE 71 -17.295 -8.620 -4.348 544 2HD1 ILE 71 HD12 ILE 71 -17.278 -8.056 -2.676 545 3HD1 ILE 71 HD13 ILE 71 -17.857 -6.994 -3.961 546 H ARG 72 HN ARG 72 -23.119 -7.108 -1.412 547 HA ARG 72 HA ARG 72 -24.211 -4.943 -3.036 548 1HB ARG 72 HB2 ARG 72 -25.731 -6.967 -3.159 549 2HB ARG 72 HB1 ARG 72 -26.032 -6.745 -1.441 550 1HG ARG 72 HG2 ARG 72 -26.733 -4.362 -2.067 551 2HG ARG 72 HG1 ARG 72 -26.790 -4.960 -3.726 552 1HD ARG 72 HD2 ARG 72 -28.320 -6.774 -2.920 553 2HD ARG 72 HD1 ARG 72 -28.375 -5.950 -1.364 554 HE ARG 72 HE ARG 72 -29.057 -4.057 -3.243 555 1HH1 ARG 72 HH11 ARG 72 -30.304 -7.144 -2.192 556 2HH1 ARG 72 HH12 ARG 72 -31.945 -6.756 -2.587 557 1HH2 ARG 72 HH21 ARG 72 -31.206 -3.546 -3.767 558 2HH2 ARG 72 HH22 ARG 72 -32.458 -4.709 -3.485 559 H GLY 73 HN GLY 73 -22.563 -4.051 -1.452 560 1HA GLY 73 HA2 GLY 73 -23.576 -2.288 0.275 561 2HA GLY 73 HA1 GLY 73 -23.563 -3.738 1.267 562 H ILE 74 HN ILE 74 -21.900 -1.020 0.535 563 HA ILE 74 HA ILE 74 -19.274 -2.216 1.114 564 HB ILE 74 HB ILE 74 -18.401 0.073 0.464 565 1HG1 ILE 74 HG12 ILE 74 -21.180 0.380 -0.690 566 2HG1 ILE 74 HG11 ILE 74 -20.594 1.235 0.733 567 1HG2 ILE 74 HG21 ILE 74 -18.534 -2.036 -0.998 568 2HG2 ILE 74 HG22 ILE 74 -18.256 -0.488 -1.794 569 3HG2 ILE 74 HG23 ILE 74 -19.863 -1.214 -1.816 570 1HD1 ILE 74 HD11 ILE 74 -18.717 2.060 -0.842 571 2HD1 ILE 74 HD12 ILE 74 -20.321 2.784 -0.949 572 3HD1 ILE 74 HD13 ILE 74 -19.821 1.573 -2.127 573 HA PRO 75 HA PRO 75 -17.304 -1.188 1.644 574 1HB PRO 75 HB2 PRO 75 -15.555 -1.429 3.639 575 2HB PRO 75 HB1 PRO 75 -16.044 0.164 3.045 576 1HG PRO 75 HG2 PRO 75 -16.967 -1.328 5.472 577 2HG PRO 75 HG1 PRO 75 -16.571 0.393 5.298 578 1HD PRO 75 HD2 PRO 75 -19.133 -0.634 5.245 579 2HD PRO 75 HD1 PRO 75 -18.654 0.906 4.505 580 H THR 76 HN THR 76 -17.272 -3.235 0.960 581 HA THR 76 HA THR 76 -17.837 -5.422 2.795 582 HB THR 76 HB THR 76 -17.242 -6.034 -0.020 583 HG1 THR 76 HG1 THR 76 -19.365 -4.313 0.686 584 1HG2 THR 76 HG21 THR 76 -19.033 -6.951 2.068 585 2HG2 THR 76 HG22 THR 76 -18.382 -7.803 0.667 586 3HG2 THR 76 HG23 THR 76 -19.816 -6.792 0.496 587 H LEU 77 HN LEU 77 -16.395 -7.036 3.298 588 HA LEU 77 HA LEU 77 -13.659 -6.685 2.286 589 1HB LEU 77 HB2 LEU 77 -14.587 -6.789 4.970 590 2HB LEU 77 HB1 LEU 77 -13.707 -8.278 4.677 591 HG LEU 77 HG LEU 77 -11.831 -6.768 3.774 592 1HD1 LEU 77 HD11 LEU 77 -13.325 -4.747 3.706 593 2HD1 LEU 77 HD12 LEU 77 -11.777 -4.515 4.518 594 3HD1 LEU 77 HD13 LEU 77 -13.249 -4.721 5.468 595 1HD2 LEU 77 HD21 LEU 77 -12.146 -6.288 6.672 596 2HD2 LEU 77 HD22 LEU 77 -10.807 -7.006 5.778 597 3HD2 LEU 77 HD23 LEU 77 -12.243 -7.965 6.136 598 H LEU 78 HN LEU 78 -13.078 -8.213 0.905 599 HA LEU 78 HA LEU 78 -14.405 -10.837 1.058 600 1HB LEU 78 HB2 LEU 78 -13.085 -9.368 -1.215 601 2HB LEU 78 HB1 LEU 78 -13.414 -11.079 -1.303 602 HG LEU 78 HG LEU 78 -15.303 -8.790 -1.453 603 1HD1 LEU 78 HD11 LEU 78 -16.404 -10.720 -2.900 604 2HD1 LEU 78 HD12 LEU 78 -14.759 -11.349 -2.866 605 3HD1 LEU 78 HD13 LEU 78 -15.074 -9.745 -3.521 606 1HD2 LEU 78 HD21 LEU 78 -16.259 -9.809 0.464 607 2HD2 LEU 78 HD22 LEU 78 -15.940 -11.430 -0.154 608 3HD2 LEU 78 HD23 LEU 78 -17.176 -10.428 -0.912 609 H LEU 79 HN LEU 79 -13.320 -12.612 1.434 610 HA LEU 79 HA LEU 79 -10.390 -12.500 1.652 611 1HB LEU 79 HB2 LEU 79 -12.538 -13.661 3.300 612 2HB LEU 79 HB1 LEU 79 -11.200 -14.752 3.011 613 HG LEU 79 HG LEU 79 -11.007 -13.536 5.137 614 1HD1 LEU 79 HD11 LEU 79 -9.001 -13.481 2.996 615 2HD1 LEU 79 HD12 LEU 79 -8.910 -14.132 4.632 616 3HD1 LEU 79 HD13 LEU 79 -8.678 -12.406 4.357 617 1HD2 LEU 79 HD21 LEU 79 -10.898 -11.255 5.338 618 2HD2 LEU 79 HD22 LEU 79 -12.075 -11.423 4.037 619 3HD2 LEU 79 HD23 LEU 79 -10.400 -11.015 3.663 620 H PHE 80 HN PHE 80 -9.421 -13.512 -0.030 621 HA PHE 80 HA PHE 80 -10.828 -15.795 -1.237 622 1HB PHE 80 HB2 PHE 80 -8.877 -13.809 -2.365 623 2HB PHE 80 HB1 PHE 80 -9.157 -15.347 -3.162 624 HD1 PHE 80 HD1 PHE 80 -10.798 -12.255 -1.999 625 HD2 PHE 80 HD2 PHE 80 -11.016 -15.619 -4.600 626 HE1 PHE 80 HE1 PHE 80 -12.718 -11.239 -3.143 627 HE2 PHE 80 HE2 PHE 80 -12.948 -14.601 -5.755 628 HZ PHE 80 HZ PHE 80 -13.793 -12.404 -5.023 629 H LYS 81 HN LYS 81 -9.757 -17.693 -1.609 630 HA LYS 81 HA LYS 81 -7.024 -18.008 -0.614 631 1HB LYS 81 HB2 LYS 81 -9.044 -18.554 1.081 632 2HB LYS 81 HB1 LYS 81 -8.975 -20.090 0.228 633 1HG LYS 81 HG2 LYS 81 -7.001 -20.654 1.125 634 2HG LYS 81 HG1 LYS 81 -6.416 -18.992 1.178 635 1HD LYS 81 HD2 LYS 81 -8.104 -18.614 3.046 636 2HD LYS 81 HD1 LYS 81 -8.313 -20.365 3.079 637 1HE LYS 81 HE2 LYS 81 -5.789 -18.807 3.646 638 2HE LYS 81 HE1 LYS 81 -6.732 -19.767 4.784 639 1HZ LYS 81 HZ1 LYS 81 -4.655 -20.825 3.897 640 2HZ LYS 81 HZ2 LYS 81 -5.429 -20.939 2.399 641 3HZ LYS 81 HZ3 LYS 81 -6.062 -21.753 3.740 642 H ASN 82 HN ASN 82 -6.024 -18.859 -2.390 643 HA ASN 82 HA ASN 82 -5.602 -20.228 -4.157 644 1HB ASN 82 HB2 ASN 82 -7.721 -22.084 -3.084 645 2HB ASN 82 HB1 ASN 82 -6.288 -22.493 -4.015 646 1HD2 ASN 82 HD21 ASN 82 -4.272 -21.349 -2.788 647 2HD2 ASN 82 HD22 ASN 82 -4.116 -21.898 -1.157 648 H GLY 83 HN GLY 83 -7.268 -18.156 -4.705 649 1HA GLY 83 HA2 GLY 83 -8.661 -17.422 -6.381 650 2HA GLY 83 HA1 GLY 83 -8.629 -19.055 -7.022 651 H GLU 84 HN GLU 84 -9.673 -19.201 -3.842 652 HA GLU 84 HA GLU 84 -12.489 -19.076 -4.676 653 1HB GLU 84 HB2 GLU 84 -11.273 -21.368 -4.091 654 2HB GLU 84 HB1 GLU 84 -11.643 -20.866 -2.451 655 1HG GLU 84 HG2 GLU 84 -14.040 -20.542 -3.328 656 2HG GLU 84 HG1 GLU 84 -13.515 -21.558 -4.671 657 H VAL 85 HN VAL 85 -13.866 -17.897 -3.434 658 HA VAL 85 HA VAL 85 -12.873 -16.135 -1.489 659 HB VAL 85 HB VAL 85 -15.723 -17.076 -1.899 660 1HG1 VAL 85 HG11 VAL 85 -15.521 -16.153 0.321 661 2HG1 VAL 85 HG12 VAL 85 -16.353 -14.993 -0.714 662 3HG1 VAL 85 HG13 VAL 85 -14.657 -14.746 -0.301 663 1HG2 VAL 85 HG21 VAL 85 -15.986 -14.934 -3.094 664 2HG2 VAL 85 HG22 VAL 85 -14.809 -15.996 -3.866 665 3HG2 VAL 85 HG23 VAL 85 -14.259 -14.630 -2.896 666 H ALA 86 HN ALA 86 -12.244 -16.547 0.541 667 HA ALA 86 HA ALA 86 -13.042 -19.057 1.776 668 1HB ALA 86 HB1 ALA 86 -10.887 -17.453 2.980 669 2HB ALA 86 HB2 ALA 86 -10.580 -18.120 1.380 670 3HB ALA 86 HB3 ALA 86 -10.991 -19.194 2.715 671 H ALA 87 HN ALA 87 -13.674 -15.852 1.942 672 HA ALA 87 HA ALA 87 -15.408 -16.116 4.138 673 1HB ALA 87 HB1 ALA 87 -13.840 -14.168 5.306 674 2HB ALA 87 HB2 ALA 87 -12.680 -15.379 4.761 675 3HB ALA 87 HB3 ALA 87 -14.002 -15.843 5.832 676 H THR 88 HN THR 88 -16.697 -14.329 4.477 677 HA THR 88 HA THR 88 -16.211 -12.025 2.727 678 HB THR 88 HB THR 88 -17.881 -13.091 1.487 679 HG1 THR 88 HG1 THR 88 -19.103 -11.405 1.553 680 1HG2 THR 88 HG21 THR 88 -18.381 -14.701 3.546 681 2HG2 THR 88 HG22 THR 88 -19.495 -14.497 2.195 682 3HG2 THR 88 HG23 THR 88 -19.765 -13.619 3.700 683 H LYS 89 HN LYS 89 -16.914 -10.042 3.549 684 HA LYS 89 HA LYS 89 -18.173 -10.034 6.180 685 1HB LYS 89 HB2 LYS 89 -15.371 -9.419 5.635 686 2HB LYS 89 HB1 LYS 89 -16.210 -8.082 6.411 687 1HG LYS 89 HG2 LYS 89 -16.625 -10.766 7.576 688 2HG LYS 89 HG1 LYS 89 -15.026 -10.043 7.770 689 1HD LYS 89 HD2 LYS 89 -16.151 -7.988 8.637 690 2HD LYS 89 HD1 LYS 89 -17.674 -8.877 8.609 691 1HE LYS 89 HE2 LYS 89 -16.433 -10.618 10.042 692 2HE LYS 89 HE1 LYS 89 -15.251 -9.338 10.314 693 1HZ LYS 89 HZ1 LYS 89 -16.708 -8.123 11.544 694 2HZ LYS 89 HZ2 LYS 89 -17.300 -9.668 11.898 695 3HZ LYS 89 HZ3 LYS 89 -18.077 -8.711 10.740 696 H VAL 90 HN VAL 90 -19.521 -8.320 6.444 697 HA VAL 90 HA VAL 90 -19.524 -6.306 4.295 698 HB VAL 90 HB VAL 90 -21.941 -7.155 5.889 699 1HG1 VAL 90 HG11 VAL 90 -21.667 -4.897 4.560 700 2HG1 VAL 90 HG12 VAL 90 -23.174 -5.809 4.513 701 3HG1 VAL 90 HG13 VAL 90 -22.027 -5.934 3.180 702 1HG2 VAL 90 HG21 VAL 90 -21.195 -8.068 3.115 703 2HG2 VAL 90 HG22 VAL 90 -22.605 -8.553 4.056 704 3HG2 VAL 90 HG23 VAL 90 -20.990 -9.046 4.569 705 H GLY 91 HN GLY 91 -19.855 -4.143 4.823 706 1HA GLY 91 HA2 GLY 91 -20.126 -2.312 6.192 707 2HA GLY 91 HA1 GLY 91 -20.376 -3.392 7.551 708 H ALA 92 HN ALA 92 -18.879 -1.067 7.688 709 HA ALA 92 HA ALA 92 -16.090 -1.563 7.429 710 1HB ALA 92 HB1 ALA 92 -16.418 0.675 7.406 711 2HB ALA 92 HB2 ALA 92 -16.158 0.492 9.142 712 3HB ALA 92 HB3 ALA 92 -17.798 0.591 8.502 713 H LEU 93 HN LEU 93 -14.547 -1.829 9.101 714 HA LEU 93 HA LEU 93 -15.569 -2.697 11.703 715 1HB LEU 93 HB2 LEU 93 -13.742 -4.551 11.522 716 2HB LEU 93 HB1 LEU 93 -15.334 -4.807 10.831 717 HG LEU 93 HG LEU 93 -13.155 -3.707 9.104 718 1HD1 LEU 93 HD11 LEU 93 -11.963 -5.517 9.899 719 2HD1 LEU 93 HD12 LEU 93 -12.781 -6.186 8.488 720 3HD1 LEU 93 HD13 LEU 93 -13.405 -6.510 10.105 721 1HD2 LEU 93 HD21 LEU 93 -15.734 -4.129 8.606 722 2HD2 LEU 93 HD22 LEU 93 -15.125 -5.741 8.236 723 3HD2 LEU 93 HD23 LEU 93 -14.486 -4.337 7.380 724 H SER 94 HN SER 94 -13.683 -3.104 13.222 725 HA SER 94 HA SER 94 -11.961 -0.772 13.095 726 1HB SER 94 HB2 SER 94 -12.860 -2.651 15.203 727 2HB SER 94 HB1 SER 94 -11.245 -1.974 15.414 728 HG SER 94 HG SER 94 -12.786 -0.625 16.367 729 H LYS 95 HN LYS 95 -9.617 -1.205 14.024 730 HA LYS 95 HA LYS 95 -8.281 -2.757 12.066 731 1HB LYS 95 HB2 LYS 95 -7.262 -0.763 13.064 732 2HB LYS 95 HB1 LYS 95 -7.203 -1.571 14.628 733 1HG LYS 95 HG2 LYS 95 -5.413 -2.822 14.073 734 2HG LYS 95 HG1 LYS 95 -5.913 -2.986 12.390 735 1HD LYS 95 HD2 LYS 95 -5.218 -0.654 11.987 736 2HD LYS 95 HD1 LYS 95 -4.653 -0.557 13.656 737 1HE LYS 95 HE2 LYS 95 -3.359 -2.772 12.874 738 2HE LYS 95 HE1 LYS 95 -3.472 -1.941 11.324 739 1HZ LYS 95 HZ1 LYS 95 -1.436 -1.356 12.444 740 2HZ LYS 95 HZ2 LYS 95 -2.283 -0.846 13.816 741 3HZ LYS 95 HZ3 LYS 95 -2.439 0.004 12.363 742 H GLY 96 HN GLY 96 -9.212 -3.418 15.400 743 1HA GLY 96 HA2 GLY 96 -7.603 -5.782 15.563 744 2HA GLY 96 HA1 GLY 96 -8.829 -5.279 16.713 745 H GLN 97 HN GLN 97 -10.899 -5.084 14.615 746 HA GLN 97 HA GLN 97 -11.739 -7.814 14.716 747 1HB GLN 97 HB2 GLN 97 -13.009 -5.593 13.120 748 2HB GLN 97 HB1 GLN 97 -13.760 -7.064 13.723 749 1HG GLN 97 HG2 GLN 97 -13.599 -6.281 16.003 750 2HG GLN 97 HG1 GLN 97 -12.704 -4.848 15.470 751 1HE2 GLN 97 HE21 GLN 97 -15.066 -4.675 16.963 752 2HE2 GLN 97 HE22 GLN 97 -16.296 -3.974 15.971 753 H LEU 98 HN LEU 98 -10.234 -5.742 12.378 754 HA LEU 98 HA LEU 98 -10.732 -7.469 10.135 755 1HB LEU 98 HB2 LEU 98 -9.987 -4.874 10.300 756 2HB LEU 98 HB1 LEU 98 -8.432 -5.625 9.983 757 HG LEU 98 HG LEU 98 -10.743 -6.373 8.258 758 1HD1 LEU 98 HD11 LEU 98 -10.106 -4.459 6.748 759 2HD1 LEU 98 HD12 LEU 98 -9.267 -3.759 8.131 760 3HD1 LEU 98 HD13 LEU 98 -11.009 -4.029 8.200 761 1HD2 LEU 98 HD21 LEU 98 -8.959 -7.569 7.539 762 2HD2 LEU 98 HD22 LEU 98 -7.790 -6.398 8.148 763 3HD2 LEU 98 HD23 LEU 98 -8.636 -6.091 6.632 764 H LYS 99 HN LYS 99 -7.947 -6.766 12.200 765 HA LYS 99 HA LYS 99 -6.153 -8.606 11.068 766 1HB LYS 99 HB2 LYS 99 -5.828 -6.698 12.847 767 2HB LYS 99 HB1 LYS 99 -6.093 -8.003 13.996 768 1HG LYS 99 HG2 LYS 99 -4.255 -9.249 12.758 769 2HG LYS 99 HG1 LYS 99 -3.888 -7.704 11.987 770 1HD LYS 99 HD2 LYS 99 -2.453 -7.693 13.799 771 2HD LYS 99 HD1 LYS 99 -3.838 -6.800 14.425 772 1HE LYS 99 HE2 LYS 99 -4.654 -8.845 15.502 773 2HE LYS 99 HE1 LYS 99 -3.260 -9.727 14.877 774 1HZ LYS 99 HZ1 LYS 99 -2.394 -9.179 16.866 775 2HZ LYS 99 HZ2 LYS 99 -3.430 -7.862 17.092 776 3HZ LYS 99 HZ3 LYS 99 -2.059 -7.699 16.117 777 H GLU 100 HN GLU 100 -8.385 -8.937 13.808 778 HA GLU 100 HA GLU 100 -7.665 -11.545 14.546 779 1HB GLU 100 HB2 GLU 100 -9.659 -11.618 15.821 780 2HB GLU 100 HB1 GLU 100 -9.163 -9.934 15.833 781 1HG GLU 100 HG2 GLU 100 -11.336 -9.634 15.408 782 2HG GLU 100 HG1 GLU 100 -10.792 -9.858 13.750 783 H PHE 101 HN PHE 101 -9.952 -10.319 12.158 784 HA PHE 101 HA PHE 101 -11.133 -12.762 11.441 785 1HB PHE 101 HB2 PHE 101 -11.908 -10.416 10.850 786 2HB PHE 101 HB1 PHE 101 -10.670 -10.408 9.600 787 HD1 PHE 101 HD1 PHE 101 -13.070 -13.031 10.723 788 HD2 PHE 101 HD2 PHE 101 -11.688 -10.546 7.559 789 HE1 PHE 101 HE1 PHE 101 -14.610 -14.157 9.171 790 HE2 PHE 101 HE2 PHE 101 -13.224 -11.664 6.001 791 HZ PHE 101 HZ PHE 101 -14.689 -13.474 6.808 792 H LEU 102 HN LEU 102 -8.260 -11.092 10.282 793 HA LEU 102 HA LEU 102 -7.691 -12.920 8.171 794 1HB LEU 102 HB2 LEU 102 -6.336 -10.647 9.474 795 2HB LEU 102 HB1 LEU 102 -5.261 -11.848 8.775 796 HG LEU 102 HG LEU 102 -7.497 -10.504 7.263 797 1HD1 LEU 102 HD11 LEU 102 -5.853 -8.840 7.893 798 2HD1 LEU 102 HD12 LEU 102 -5.743 -9.190 6.167 799 3HD1 LEU 102 HD13 LEU 102 -4.557 -9.866 7.282 800 1HD2 LEU 102 HD21 LEU 102 -6.325 -12.832 6.650 801 2HD2 LEU 102 HD22 LEU 102 -5.189 -11.716 5.893 802 3HD2 LEU 102 HD23 LEU 102 -6.894 -11.679 5.443 803 H ASP 103 HN ASP 103 -6.306 -12.515 11.438 804 HA ASP 103 HA ASP 103 -4.554 -14.659 11.434 805 1HB ASP 103 HB2 ASP 103 -5.337 -12.868 13.325 806 2HB ASP 103 HB1 ASP 103 -6.094 -14.336 13.934 807 H ALA 104 HN ALA 104 -8.043 -14.636 11.908 808 HA ALA 104 HA ALA 104 -8.275 -17.379 12.660 809 1HB ALA 104 HB1 ALA 104 -10.537 -15.807 11.501 810 2HB ALA 104 HB2 ALA 104 -9.890 -15.406 13.092 811 3HB ALA 104 HB3 ALA 104 -10.549 -17.011 12.789 812 H ASN 105 HN ASN 105 -7.945 -15.805 9.593 813 HA ASN 105 HA ASN 105 -8.972 -18.188 8.214 814 1HB ASN 105 HB2 ASN 105 -9.239 -15.405 7.751 815 2HB ASN 105 HB1 ASN 105 -8.255 -16.047 6.442 816 1HD2 ASN 105 HD21 ASN 105 -9.613 -16.037 4.799 817 2HD2 ASN 105 HD22 ASN 105 -11.139 -16.864 4.765 818 H LEU 106 HN LEU 106 -6.244 -15.953 8.346 819 HA LEU 106 HA LEU 106 -4.583 -17.256 6.462 820 1HB LEU 106 HB2 LEU 106 -4.185 -14.961 7.221 821 2HB LEU 106 HB1 LEU 106 -3.909 -15.547 8.851 822 HG LEU 106 HG LEU 106 -1.910 -16.757 8.091 823 1HD1 LEU 106 HD11 LEU 106 -0.983 -16.313 5.880 824 2HD1 LEU 106 HD12 LEU 106 -2.433 -15.407 5.450 825 3HD1 LEU 106 HD13 LEU 106 -2.538 -17.139 5.768 826 1HD2 LEU 106 HD21 LEU 106 -0.504 -14.882 8.000 827 2HD2 LEU 106 HD22 LEU 106 -1.924 -14.359 8.907 828 3HD2 LEU 106 HD23 LEU 106 -1.741 -13.899 7.215 829 H VAL 107 HN VAL 107 -3.927 -19.307 6.674 830 HA VAL 107 HA VAL 107 -2.584 -20.173 9.085 831 HB VAL 107 HB VAL 107 -3.931 -22.215 9.377 832 1HG1 VAL 107 HG11 VAL 107 -4.421 -20.049 10.617 833 2HG1 VAL 107 HG12 VAL 107 -5.705 -21.257 10.589 834 3HG1 VAL 107 HG13 VAL 107 -5.789 -19.857 9.520 835 1HG2 VAL 107 HG21 VAL 107 -5.381 -21.081 7.051 836 2HG2 VAL 107 HG22 VAL 107 -6.320 -21.951 8.264 837 3HG2 VAL 107 HG23 VAL 107 -4.989 -22.757 7.432 Start of MODEL 10 1 1H MET 1 HT1 MET 1 2.415 -6.899 -1.139 2 2H MET 1 HT2 MET 1 2.198 -5.578 -0.066 3 3H MET 1 HT3 MET 1 3.738 -5.877 -0.760 4 HA MET 1 HA MET 1 2.679 -4.049 -1.823 5 1HB MET 1 HB2 MET 1 3.849 -6.277 -2.984 6 2HB MET 1 HB1 MET 1 2.405 -6.029 -3.954 7 1HG MET 1 HG2 MET 1 3.629 -4.585 -5.115 8 2HG MET 1 HG1 MET 1 3.414 -3.494 -3.746 9 1HE MET 1 HE1 MET 1 5.550 -2.170 -4.495 10 2HE MET 1 HE2 MET 1 5.871 -3.266 -5.838 11 3HE MET 1 HE3 MET 1 7.152 -2.880 -4.688 12 H VAL 2 HN VAL 2 0.869 -3.061 -2.455 13 HA VAL 2 HA VAL 2 -1.599 -4.646 -2.589 14 HB VAL 2 HB VAL 2 -1.145 -1.741 -1.899 15 1HG1 VAL 2 HG11 VAL 2 -3.212 -2.150 -3.311 16 2HG1 VAL 2 HG12 VAL 2 -3.474 -1.390 -1.742 17 3HG1 VAL 2 HG13 VAL 2 -3.823 -3.102 -1.958 18 1HG2 VAL 2 HG21 VAL 2 -0.693 -3.218 -0.058 19 2HG2 VAL 2 HG22 VAL 2 -2.207 -4.079 -0.321 20 3HG2 VAL 2 HG23 VAL 2 -2.234 -2.407 0.236 21 H LYS 3 HN LYS 3 -3.121 -4.260 -4.378 22 HA LYS 3 HA LYS 3 -2.051 -2.503 -6.464 23 1HB LYS 3 HB2 LYS 3 -2.681 -4.475 -8.098 24 2HB LYS 3 HB1 LYS 3 -1.092 -4.376 -7.358 25 1HG LYS 3 HG2 LYS 3 -1.833 -5.969 -5.625 26 2HG LYS 3 HG1 LYS 3 -3.386 -6.106 -6.452 27 1HD LYS 3 HD2 LYS 3 -2.209 -7.931 -7.274 28 2HD LYS 3 HD1 LYS 3 -1.954 -6.713 -8.525 29 1HE LYS 3 HE2 LYS 3 0.236 -6.242 -7.741 30 2HE LYS 3 HE1 LYS 3 -0.022 -7.165 -6.262 31 1HZ LYS 3 HZ1 LYS 3 -0.179 -8.479 -8.898 32 2HZ LYS 3 HZ2 LYS 3 0.146 -9.165 -7.386 33 3HZ LYS 3 HZ3 LYS 3 1.320 -8.221 -8.156 34 H GLN 4 HN GLN 4 -3.558 -1.219 -7.082 35 HA GLN 4 HA GLN 4 -6.313 -1.648 -6.537 36 1HB GLN 4 HB2 GLN 4 -5.224 0.580 -6.597 37 2HB GLN 4 HB1 GLN 4 -4.989 0.402 -8.329 38 1HG GLN 4 HG2 GLN 4 -6.979 1.278 -8.688 39 2HG GLN 4 HG1 GLN 4 -7.731 -0.042 -7.791 40 1HE2 GLN 4 HE21 GLN 4 -8.834 0.482 -6.052 41 2HE2 GLN 4 HE22 GLN 4 -8.702 1.959 -5.162 42 H ILE 5 HN ILE 5 -7.750 -2.750 -7.762 43 HA ILE 5 HA ILE 5 -6.953 -3.462 -10.507 44 HB ILE 5 HB ILE 5 -8.657 -4.841 -8.482 45 1HG1 ILE 5 HG12 ILE 5 -7.336 -6.781 -9.674 46 2HG1 ILE 5 HG11 ILE 5 -6.324 -5.458 -10.250 47 1HG2 ILE 5 HG21 ILE 5 -8.982 -5.029 -11.450 48 2HG2 ILE 5 HG22 ILE 5 -10.226 -4.905 -10.207 49 3HG2 ILE 5 HG23 ILE 5 -9.323 -6.408 -10.408 50 1HD1 ILE 5 HD11 ILE 5 -5.295 -5.304 -8.309 51 2HD1 ILE 5 HD12 ILE 5 -6.121 -6.792 -7.840 52 3HD1 ILE 5 HD13 ILE 5 -6.821 -5.225 -7.440 53 H GLU 6 HN GLU 6 -7.762 -2.212 -12.025 54 HA GLU 6 HA GLU 6 -10.364 -0.966 -11.617 55 1HB GLU 6 HB2 GLU 6 -7.994 -0.334 -13.297 56 2HB GLU 6 HB1 GLU 6 -9.571 0.203 -13.861 57 1HG GLU 6 HG2 GLU 6 -9.789 1.748 -12.223 58 2HG GLU 6 HG1 GLU 6 -8.892 0.792 -11.044 59 H SER 7 HN SER 7 -9.667 -3.828 -12.605 60 HA SER 7 HA SER 7 -11.823 -3.903 -14.533 61 1HB SER 7 HB2 SER 7 -8.975 -4.366 -15.275 62 2HB SER 7 HB1 SER 7 -10.197 -5.408 -16.003 63 HG SER 7 HG SER 7 -9.639 -3.367 -17.129 64 H LYS 8 HN LYS 8 -12.610 -6.062 -14.939 65 HA LYS 8 HA LYS 8 -12.413 -7.712 -12.626 66 1HB LYS 8 HB2 LYS 8 -14.528 -7.631 -13.679 67 2HB LYS 8 HB1 LYS 8 -13.846 -8.007 -15.252 68 1HG LYS 8 HG2 LYS 8 -13.180 -10.221 -13.753 69 2HG LYS 8 HG1 LYS 8 -14.770 -9.778 -13.137 70 1HD LYS 8 HD2 LYS 8 -15.491 -11.018 -14.885 71 2HD LYS 8 HD1 LYS 8 -15.201 -9.526 -15.783 72 1HE LYS 8 HE2 LYS 8 -13.116 -10.291 -16.577 73 2HE LYS 8 HE1 LYS 8 -13.086 -11.630 -15.431 74 1HZ LYS 8 HZ1 LYS 8 -13.694 -12.627 -17.409 75 2HZ LYS 8 HZ2 LYS 8 -14.681 -11.342 -17.894 76 3HZ LYS 8 HZ3 LYS 8 -15.192 -12.382 -16.662 77 H THR 9 HN THR 9 -10.704 -7.586 -15.611 78 HA THR 9 HA THR 9 -9.806 -10.332 -15.518 79 HB THR 9 HB THR 9 -8.525 -8.089 -17.074 80 HG1 THR 9 HG1 THR 9 -10.205 -8.015 -18.308 81 1HG2 THR 9 HG21 THR 9 -8.083 -9.875 -18.716 82 2HG2 THR 9 HG22 THR 9 -8.725 -11.047 -17.566 83 3HG2 THR 9 HG23 THR 9 -7.274 -10.128 -17.169 84 H ALA 10 HN ALA 10 -8.748 -7.192 -14.439 85 HA ALA 10 HA ALA 10 -6.087 -7.878 -13.761 86 1HB ALA 10 HB1 ALA 10 -6.593 -5.844 -12.083 87 2HB ALA 10 HB2 ALA 10 -7.921 -5.621 -13.219 88 3HB ALA 10 HB3 ALA 10 -6.254 -5.613 -13.794 89 H PHE 11 HN PHE 11 -9.150 -7.900 -11.994 90 HA PHE 11 HA PHE 11 -8.207 -8.534 -9.438 91 1HB PHE 11 HB2 PHE 11 -10.590 -7.924 -10.140 92 2HB PHE 11 HB1 PHE 11 -10.776 -9.600 -10.642 93 HD1 PHE 11 HD1 PHE 11 -9.347 -7.863 -7.656 94 HD2 PHE 11 HD2 PHE 11 -11.990 -10.840 -9.159 95 HE1 PHE 11 HE1 PHE 11 -9.945 -8.490 -5.352 96 HE2 PHE 11 HE2 PHE 11 -12.594 -11.467 -6.860 97 HZ PHE 11 HZ PHE 11 -11.570 -10.295 -4.953 98 H GLN 12 HN GLN 12 -8.985 -10.586 -12.203 99 HA GLN 12 HA GLN 12 -8.539 -13.075 -10.913 100 1HB GLN 12 HB2 GLN 12 -8.367 -12.265 -13.827 101 2HB GLN 12 HB1 GLN 12 -8.221 -13.925 -13.266 102 1HG GLN 12 HG2 GLN 12 -10.623 -12.131 -13.044 103 2HG GLN 12 HG1 GLN 12 -10.451 -13.575 -14.042 104 1HE2 GLN 12 HE21 GLN 12 -10.638 -12.396 -10.746 105 2HE2 GLN 12 HE22 GLN 12 -11.220 -13.867 -10.050 106 H GLU 13 HN GLU 13 -6.520 -10.843 -12.733 107 HA GLU 13 HA GLU 13 -4.173 -12.338 -12.890 108 1HB GLU 13 HB2 GLU 13 -4.935 -9.503 -13.152 109 2HB GLU 13 HB1 GLU 13 -3.249 -9.782 -12.740 110 1HG GLU 13 HG2 GLU 13 -2.965 -11.168 -14.695 111 2HG GLU 13 HG1 GLU 13 -4.677 -11.007 -15.087 112 H ALA 14 HN ALA 14 -5.152 -9.930 -10.434 113 HA ALA 14 HA ALA 14 -2.806 -10.158 -8.891 114 1HB ALA 14 HB1 ALA 14 -5.550 -9.301 -7.985 115 2HB ALA 14 HB2 ALA 14 -4.368 -8.253 -8.768 116 3HB ALA 14 HB3 ALA 14 -4.019 -8.949 -7.184 117 H LEU 15 HN LEU 15 -5.818 -11.953 -8.919 118 HA LEU 15 HA LEU 15 -5.433 -13.264 -6.424 119 1HB LEU 15 HB2 LEU 15 -7.174 -13.756 -8.813 120 2HB LEU 15 HB1 LEU 15 -7.073 -14.955 -7.542 121 HG LEU 15 HG LEU 15 -7.946 -12.092 -7.154 122 1HD1 LEU 15 HD11 LEU 15 -9.423 -13.868 -8.427 123 2HD1 LEU 15 HD12 LEU 15 -10.126 -12.767 -7.243 124 3HD1 LEU 15 HD13 LEU 15 -9.749 -14.428 -6.787 125 1HD2 LEU 15 HD21 LEU 15 -7.716 -14.436 -5.280 126 2HD2 LEU 15 HD22 LEU 15 -8.705 -13.017 -4.932 127 3HD2 LEU 15 HD23 LEU 15 -6.962 -12.848 -5.138 128 H ASP 16 HN ASP 16 -4.698 -14.144 -9.780 129 HA ASP 16 HA ASP 16 -3.760 -16.744 -9.275 130 1HB ASP 16 HB2 ASP 16 -4.220 -15.330 -11.522 131 2HB ASP 16 HB1 ASP 16 -2.464 -15.201 -11.452 132 H ALA 17 HN ALA 17 -2.242 -13.605 -9.019 133 HA ALA 17 HA ALA 17 0.428 -14.607 -8.764 134 1HB ALA 17 HB1 ALA 17 0.974 -12.309 -8.056 135 2HB ALA 17 HB2 ALA 17 -0.747 -11.921 -8.059 136 3HB ALA 17 HB3 ALA 17 0.064 -12.355 -9.564 137 H ALA 18 HN ALA 18 -2.236 -14.047 -6.609 138 HA ALA 18 HA ALA 18 -0.674 -14.016 -4.211 139 1HB ALA 18 HB1 ALA 18 -2.967 -14.472 -3.142 140 2HB ALA 18 HB2 ALA 18 -3.607 -14.213 -4.766 141 3HB ALA 18 HB3 ALA 18 -2.702 -12.934 -3.959 142 H GLY 19 HN GLY 19 -1.861 -16.560 -6.316 143 1HA GLY 19 HA2 GLY 19 -1.916 -18.798 -6.076 144 2HA GLY 19 HA1 GLY 19 -0.397 -18.542 -5.241 145 H ASP 20 HN ASP 20 -0.277 -19.505 -3.382 146 HA ASP 20 HA ASP 20 -2.682 -20.405 -2.041 147 1HB ASP 20 HB2 ASP 20 -0.546 -21.776 -2.466 148 2HB ASP 20 HB1 ASP 20 0.131 -20.886 -1.109 149 H LYS 21 HN LYS 21 -1.077 -17.568 -1.961 150 HA LYS 21 HA LYS 21 -0.901 -17.175 0.876 151 1HB LYS 21 HB2 LYS 21 -0.731 -15.305 -1.495 152 2HB LYS 21 HB1 LYS 21 -0.609 -14.754 0.166 153 1HG LYS 21 HG2 LYS 21 1.382 -16.051 0.511 154 2HG LYS 21 HG1 LYS 21 1.219 -16.790 -1.084 155 1HD LYS 21 HD2 LYS 21 1.604 -14.672 -2.162 156 2HD LYS 21 HD1 LYS 21 1.594 -13.836 -0.607 157 1HE LYS 21 HE2 LYS 21 3.729 -14.364 -0.186 158 2HE LYS 21 HE1 LYS 21 3.515 -16.029 -0.727 159 1HZ LYS 21 HZ1 LYS 21 5.091 -14.561 -2.042 160 2HZ LYS 21 HZ2 LYS 21 3.714 -13.793 -2.651 161 3HZ LYS 21 HZ3 LYS 21 3.951 -15.445 -2.926 162 H LEU 22 HN LEU 22 -2.312 -15.777 2.071 163 HA LEU 22 HA LEU 22 -5.056 -16.081 1.339 164 1HB LEU 22 HB2 LEU 22 -4.172 -16.129 3.680 165 2HB LEU 22 HB1 LEU 22 -3.855 -14.416 3.545 166 HG LEU 22 HG LEU 22 -5.979 -13.857 3.999 167 1HD1 LEU 22 HD11 LEU 22 -7.928 -15.345 3.171 168 2HD1 LEU 22 HD12 LEU 22 -6.707 -16.057 2.122 169 3HD1 LEU 22 HD13 LEU 22 -7.058 -14.331 2.023 170 1HD2 LEU 22 HD21 LEU 22 -5.946 -16.748 4.818 171 2HD2 LEU 22 HD22 LEU 22 -7.248 -15.637 5.235 172 3HD2 LEU 22 HD23 LEU 22 -5.611 -15.328 5.809 173 H VAL 23 HN VAL 23 -6.244 -14.729 0.139 174 HA VAL 23 HA VAL 23 -5.144 -12.066 -0.425 175 HB VAL 23 HB VAL 23 -7.351 -13.262 -2.024 176 1HG1 VAL 23 HG11 VAL 23 -5.844 -10.901 -2.130 177 2HG1 VAL 23 HG12 VAL 23 -7.072 -11.459 -3.266 178 3HG1 VAL 23 HG13 VAL 23 -5.377 -11.870 -3.529 179 1HG2 VAL 23 HG21 VAL 23 -5.341 -13.974 -3.578 180 2HG2 VAL 23 HG22 VAL 23 -5.977 -15.056 -2.339 181 3HG2 VAL 23 HG23 VAL 23 -4.516 -14.119 -2.027 182 H VAL 24 HN VAL 24 -5.943 -10.659 0.915 183 HA VAL 24 HA VAL 24 -8.826 -10.699 1.474 184 HB VAL 24 HB VAL 24 -7.365 -10.725 3.478 185 1HG1 VAL 24 HG11 VAL 24 -5.586 -9.431 3.736 186 2HG1 VAL 24 HG12 VAL 24 -6.486 -7.972 3.321 187 3HG1 VAL 24 HG13 VAL 24 -5.785 -8.970 2.046 188 1HG2 VAL 24 HG21 VAL 24 -9.588 -9.200 3.058 189 2HG2 VAL 24 HG22 VAL 24 -8.449 -8.019 3.702 190 3HG2 VAL 24 HG23 VAL 24 -8.826 -9.473 4.625 191 H VAL 25 HN VAL 25 -9.931 -9.389 0.213 192 HA VAL 25 HA VAL 25 -8.656 -6.897 -0.679 193 HB VAL 25 HB VAL 25 -9.841 -7.188 -2.859 194 1HG1 VAL 25 HG11 VAL 25 -7.427 -7.905 -2.285 195 2HG1 VAL 25 HG12 VAL 25 -8.163 -8.475 -3.788 196 3HG1 VAL 25 HG13 VAL 25 -8.071 -9.543 -2.392 197 1HG2 VAL 25 HG21 VAL 25 -10.579 -9.760 -1.549 198 2HG2 VAL 25 HG22 VAL 25 -10.310 -9.713 -3.292 199 3HG2 VAL 25 HG23 VAL 25 -11.550 -8.692 -2.569 200 H ASP 26 HN ASP 26 -9.751 -5.138 -0.273 201 HA ASP 26 HA ASP 26 -12.469 -5.367 0.740 202 1HB ASP 26 HB2 ASP 26 -10.742 -4.077 1.979 203 2HB ASP 26 HB1 ASP 26 -10.643 -2.957 0.626 204 H PHE 27 HN PHE 27 -14.254 -4.572 -0.203 205 HA PHE 27 HA PHE 27 -13.996 -3.478 -2.924 206 1HB PHE 27 HB2 PHE 27 -16.032 -5.104 -1.501 207 2HB PHE 27 HB1 PHE 27 -16.657 -3.884 -2.612 208 HD1 PHE 27 HD1 PHE 27 -14.566 -6.894 -2.337 209 HD2 PHE 27 HD2 PHE 27 -16.415 -4.107 -4.970 210 HE1 PHE 27 HE1 PHE 27 -14.070 -8.372 -4.245 211 HE2 PHE 27 HE2 PHE 27 -15.928 -5.584 -6.880 212 HZ PHE 27 HZ PHE 27 -14.753 -7.717 -6.518 213 H SER 28 HN SER 28 -14.088 -1.291 -3.045 214 HA SER 28 HA SER 28 -15.790 0.119 -1.092 215 1HB SER 28 HB2 SER 28 -14.076 2.010 -1.337 216 2HB SER 28 HB1 SER 28 -13.579 0.590 -0.424 217 HG SER 28 HG SER 28 -11.946 1.058 -1.838 218 H ALA 29 HN ALA 29 -15.576 2.640 -1.983 219 HA ALA 29 HA ALA 29 -16.252 2.811 -4.796 220 1HB ALA 29 HB1 ALA 29 -18.474 3.257 -4.637 221 2HB ALA 29 HB2 ALA 29 -18.320 4.023 -3.055 222 3HB ALA 29 HB3 ALA 29 -18.340 2.264 -3.188 223 H THR 30 HN THR 30 -16.319 5.047 -5.545 224 HA THR 30 HA THR 30 -14.485 6.723 -4.127 225 HB THR 30 HB THR 30 -16.192 7.847 -6.295 226 HG1 THR 30 HG1 THR 30 -15.818 6.184 -7.507 227 1HG2 THR 30 HG21 THR 30 -13.528 8.253 -5.226 228 2HG2 THR 30 HG22 THR 30 -14.553 9.335 -6.167 229 3HG2 THR 30 HG23 THR 30 -13.553 8.134 -6.986 230 H TRP 31 HN TRP 31 -17.941 6.560 -4.552 231 HA TRP 31 HA TRP 31 -18.444 9.045 -3.140 232 1HB TRP 31 HB2 TRP 31 -20.804 8.539 -3.571 233 2HB TRP 31 HB1 TRP 31 -19.858 8.359 -5.047 234 HD1 TRP 31 HD1 TRP 31 -19.384 5.779 -5.876 235 HE1 TRP 31 HE1 TRP 31 -20.744 3.605 -5.428 236 HE3 TRP 31 HE3 TRP 31 -22.319 7.368 -1.991 237 HZ2 TRP 31 HZ2 TRP 31 -22.776 2.733 -3.759 238 HZ3 TRP 31 HZ3 TRP 31 -23.946 5.795 -1.032 239 HH2 TRP 31 HH2 TRP 31 -24.163 3.522 -1.901 240 H CYS 32 HN CYS 32 -17.327 6.312 -1.966 241 HA CYS 32 HA CYS 32 -19.242 5.999 0.220 242 1HB CYS 32 HB2 CYS 32 -18.351 3.966 -0.937 243 2HB CYS 32 HB1 CYS 32 -16.748 4.385 -0.345 244 H GLY 33 HN GLY 33 -18.774 6.459 2.328 245 1HA GLY 33 HA2 GLY 33 -16.435 8.177 2.734 246 2HA GLY 33 HA1 GLY 33 -17.836 8.073 3.789 247 HA PRO 34 HA PRO 34 -16.032 5.234 6.618 248 1HB PRO 34 HB2 PRO 34 -17.768 3.018 5.634 249 2HB PRO 34 HB1 PRO 34 -17.521 3.607 7.282 250 1HG PRO 34 HG2 PRO 34 -19.750 4.201 5.961 251 2HG PRO 34 HG1 PRO 34 -18.961 5.407 6.995 252 1HD PRO 34 HD2 PRO 34 -18.983 5.182 4.018 253 2HD PRO 34 HD1 PRO 34 -19.009 6.633 5.042 254 H CYS 35 HN CYS 35 -16.373 4.148 3.314 255 HA CYS 35 HA CYS 35 -14.675 1.906 3.402 256 1HB CYS 35 HB2 CYS 35 -15.271 3.788 1.108 257 2HB CYS 35 HB1 CYS 35 -14.478 2.224 0.945 258 H LYS 36 HN LYS 36 -14.044 5.329 2.801 259 HA LYS 36 HA LYS 36 -11.302 5.059 2.162 260 1HB LYS 36 HB2 LYS 36 -13.149 7.271 2.832 261 2HB LYS 36 HB1 LYS 36 -11.445 7.572 3.143 262 1HG LYS 36 HG2 LYS 36 -10.937 7.711 0.962 263 2HG LYS 36 HG1 LYS 36 -12.028 6.395 0.521 264 1HD LYS 36 HD2 LYS 36 -13.164 8.113 -0.443 265 2HD LYS 36 HD1 LYS 36 -13.853 8.219 1.178 266 1HE LYS 36 HE2 LYS 36 -12.736 10.135 1.679 267 2HE LYS 36 HE1 LYS 36 -11.354 9.726 0.665 268 1HZ LYS 36 HZ1 LYS 36 -13.129 10.073 -1.220 269 2HZ LYS 36 HZ2 LYS 36 -12.278 11.379 -0.566 270 3HZ LYS 36 HZ3 LYS 36 -13.859 11.059 -0.055 271 H MET 37 HN MET 37 -13.019 4.972 5.139 272 HA MET 37 HA MET 37 -10.876 5.796 6.834 273 1HB MET 37 HB2 MET 37 -13.465 4.349 7.368 274 2HB MET 37 HB1 MET 37 -12.313 4.736 8.639 275 1HG MET 37 HG2 MET 37 -13.204 6.929 6.852 276 2HG MET 37 HG1 MET 37 -14.340 6.319 8.054 277 1HE MET 37 HE1 MET 37 -13.593 9.418 9.732 278 2HE MET 37 HE2 MET 37 -14.145 8.025 10.661 279 3HE MET 37 HE3 MET 37 -14.712 8.263 9.009 280 H ILE 38 HN ILE 38 -11.781 2.762 5.364 281 HA ILE 38 HA ILE 38 -10.144 1.187 7.170 282 HB ILE 38 HB ILE 38 -11.468 0.357 4.587 283 1HG1 ILE 38 HG12 ILE 38 -12.682 1.161 6.988 284 2HG1 ILE 38 HG11 ILE 38 -13.442 0.330 5.640 285 1HG2 ILE 38 HG21 ILE 38 -10.895 -1.800 5.024 286 2HG2 ILE 38 HG22 ILE 38 -10.879 -1.570 6.771 287 3HG2 ILE 38 HG23 ILE 38 -9.532 -0.999 5.796 288 1HD1 ILE 38 HD11 ILE 38 -13.965 -0.849 7.626 289 2HD1 ILE 38 HD12 ILE 38 -12.273 -0.894 8.122 290 3HD1 ILE 38 HD13 ILE 38 -12.808 -1.827 6.725 291 H LYS 39 HN LYS 39 -9.804 2.828 4.127 292 HA LYS 39 HA LYS 39 -7.844 1.461 2.817 293 1HB LYS 39 HB2 LYS 39 -8.905 4.070 2.759 294 2HB LYS 39 HB1 LYS 39 -7.159 4.258 2.830 295 1HG LYS 39 HG2 LYS 39 -7.001 2.677 0.894 296 2HG LYS 39 HG1 LYS 39 -8.759 2.762 0.771 297 1HD LYS 39 HD2 LYS 39 -8.686 5.109 0.324 298 2HD LYS 39 HD1 LYS 39 -6.962 5.179 0.692 299 1HE LYS 39 HE2 LYS 39 -6.449 3.837 -1.243 300 2HE LYS 39 HE1 LYS 39 -8.164 3.597 -1.576 301 1HZ LYS 39 HZ1 LYS 39 -6.680 6.166 -1.707 302 2HZ LYS 39 HZ2 LYS 39 -8.353 6.016 -1.908 303 3HZ LYS 39 HZ3 LYS 39 -7.300 5.289 -3.014 304 HA PRO 40 HA PRO 40 -4.393 3.738 5.441 305 1HB PRO 40 HB2 PRO 40 -5.321 4.423 7.973 306 2HB PRO 40 HB1 PRO 40 -5.042 5.546 6.640 307 1HG PRO 40 HG2 PRO 40 -7.585 4.314 7.584 308 2HG PRO 40 HG1 PRO 40 -7.293 5.939 6.940 309 1HD PRO 40 HD2 PRO 40 -8.445 4.011 5.467 310 2HD PRO 40 HD1 PRO 40 -7.361 5.214 4.743 311 H PHE 41 HN PHE 41 -6.905 2.033 7.354 312 HA PHE 41 HA PHE 41 -4.994 0.626 8.935 313 1HB PHE 41 HB2 PHE 41 -7.882 -0.137 8.457 314 2HB PHE 41 HB1 PHE 41 -6.874 -0.597 9.822 315 HD1 PHE 41 HD1 PHE 41 -5.715 1.760 10.835 316 HD2 PHE 41 HD2 PHE 41 -9.565 1.265 9.087 317 HE1 PHE 41 HE1 PHE 41 -6.532 3.712 12.090 318 HE2 PHE 41 HE2 PHE 41 -10.387 3.218 10.335 319 HZ PHE 41 HZ PHE 41 -8.870 4.443 11.842 320 H PHE 42 HN PHE 42 -6.826 -0.182 6.017 321 HA PHE 42 HA PHE 42 -6.173 -2.925 5.972 322 1HB PHE 42 HB2 PHE 42 -7.924 -1.592 4.568 323 2HB PHE 42 HB1 PHE 42 -6.586 -1.371 3.444 324 HD1 PHE 42 HD1 PHE 42 -8.372 -4.038 5.323 325 HD2 PHE 42 HD2 PHE 42 -6.191 -2.977 1.822 326 HE1 PHE 42 HE1 PHE 42 -8.826 -6.257 4.371 327 HE2 PHE 42 HE2 PHE 42 -6.650 -5.194 0.862 328 HZ PHE 42 HZ PHE 42 -7.969 -6.838 2.136 329 H HIS 43 HN HIS 43 -4.598 -0.100 4.509 330 HA HIS 43 HA HIS 43 -2.625 -1.595 3.149 331 1HB HIS 43 HB2 HIS 43 -3.368 1.033 3.129 332 2HB HIS 43 HB1 HIS 43 -1.828 1.110 3.984 333 HD1 HIS 43 HD1 HIS 43 -2.787 1.782 0.795 334 HD2 HIS 43 HD2 HIS 43 -0.095 -1.000 2.298 335 HE1 HIS 43 HE1 HIS 43 -1.238 1.188 -1.115 336 H SER 44 HN SER 44 -2.733 -0.176 6.408 337 HA SER 44 HA SER 44 -0.040 -0.517 7.059 338 1HB SER 44 HB2 SER 44 -2.101 0.602 8.333 339 2HB SER 44 HB1 SER 44 -2.105 -0.953 9.166 340 HG SER 44 HG SER 44 -0.755 0.754 10.104 341 H LEU 45 HN LEU 45 -2.805 -2.723 7.479 342 HA LEU 45 HA LEU 45 -1.424 -4.772 8.795 343 1HB LEU 45 HB2 LEU 45 -3.797 -4.893 6.932 344 2HB LEU 45 HB1 LEU 45 -3.213 -6.273 7.840 345 HG LEU 45 HG LEU 45 -3.975 -3.756 9.278 346 1HD1 LEU 45 HD11 LEU 45 -6.226 -4.246 9.297 347 2HD1 LEU 45 HD12 LEU 45 -5.973 -5.927 8.824 348 3HD1 LEU 45 HD13 LEU 45 -5.790 -4.639 7.633 349 1HD2 LEU 45 HD21 LEU 45 -3.980 -5.051 11.143 350 2HD2 LEU 45 HD22 LEU 45 -2.828 -5.982 10.186 351 3HD2 LEU 45 HD23 LEU 45 -4.514 -6.491 10.278 352 H SER 46 HN SER 46 -1.828 -4.066 5.362 353 HA SER 46 HA SER 46 -0.738 -6.361 4.257 354 1HB SER 46 HB2 SER 46 -1.844 -4.586 2.943 355 2HB SER 46 HB1 SER 46 -0.467 -3.522 3.233 356 HG SER 46 HG SER 46 0.534 -4.479 1.664 357 H GLU 47 HN GLU 47 0.833 -3.667 5.853 358 HA GLU 47 HA GLU 47 3.476 -4.497 4.973 359 1HB GLU 47 HB2 GLU 47 2.493 -2.058 5.567 360 2HB GLU 47 HB1 GLU 47 3.136 -2.495 7.143 361 1HG GLU 47 HG2 GLU 47 5.282 -2.345 6.462 362 2HG GLU 47 HG1 GLU 47 4.927 -2.943 4.843 363 H LYS 48 HN LYS 48 1.269 -5.026 7.535 364 HA LYS 48 HA LYS 48 3.340 -6.086 9.310 365 1HB LYS 48 HB2 LYS 48 1.376 -4.523 10.036 366 2HB LYS 48 HB1 LYS 48 0.415 -5.992 9.973 367 1HG LYS 48 HG2 LYS 48 2.210 -7.001 11.501 368 2HG LYS 48 HG1 LYS 48 2.713 -5.332 11.772 369 1HD LYS 48 HD2 LYS 48 1.198 -5.395 13.435 370 2HD LYS 48 HD1 LYS 48 0.036 -5.126 12.135 371 1HE LYS 48 HE2 LYS 48 -0.949 -6.971 12.950 372 2HE LYS 48 HE1 LYS 48 0.295 -7.818 12.035 373 1HZ LYS 48 HZ1 LYS 48 0.303 -7.177 14.928 374 2HZ LYS 48 HZ2 LYS 48 1.675 -7.719 14.103 375 3HZ LYS 48 HZ3 LYS 48 0.307 -8.708 14.207 376 H TYR 49 HN TYR 49 1.858 -7.234 6.724 377 HA TYR 49 HA TYR 49 1.605 -9.947 7.833 378 1HB TYR 49 HB2 TYR 49 -0.300 -8.452 6.087 379 2HB TYR 49 HB1 TYR 49 -0.083 -10.172 5.785 380 HD1 TYR 49 HD1 TYR 49 -1.182 -11.755 7.088 381 HD2 TYR 49 HD2 TYR 49 -0.983 -7.734 8.454 382 HE1 TYR 49 HE1 TYR 49 -2.747 -12.306 8.901 383 HE2 TYR 49 HE2 TYR 49 -2.549 -8.268 10.274 384 HH TYR 49 HH TYR 49 -3.286 -11.368 11.217 385 H SER 50 HN SER 50 3.364 -10.955 7.070 386 HA SER 50 HA SER 50 4.329 -10.331 4.374 387 1HB SER 50 HB2 SER 50 5.593 -11.721 6.733 388 2HB SER 50 HB1 SER 50 6.330 -11.706 5.133 389 HG SER 50 HG SER 50 7.003 -9.991 6.611 390 H ASN 51 HN ASN 51 2.016 -11.797 4.238 391 HA ASN 51 HA ASN 51 2.960 -14.128 2.882 392 1HB ASN 51 HB2 ASN 51 2.514 -14.674 5.462 393 2HB ASN 51 HB1 ASN 51 0.866 -14.854 4.858 394 1HD2 ASN 51 HD21 ASN 51 1.096 -17.107 5.442 395 2HD2 ASN 51 HD22 ASN 51 1.903 -18.189 4.363 396 H VAL 52 HN VAL 52 0.294 -12.147 3.969 397 HA VAL 52 HA VAL 52 -1.490 -13.219 1.934 398 HB VAL 52 HB VAL 52 -3.216 -11.938 2.968 399 1HG1 VAL 52 HG11 VAL 52 -3.326 -12.954 5.025 400 2HG1 VAL 52 HG12 VAL 52 -1.616 -12.692 5.367 401 3HG1 VAL 52 HG13 VAL 52 -2.104 -13.941 4.222 402 1HG2 VAL 52 HG21 VAL 52 -0.938 -10.405 4.119 403 2HG2 VAL 52 HG22 VAL 52 -2.476 -10.456 4.981 404 3HG2 VAL 52 HG23 VAL 52 -2.406 -9.829 3.336 405 H ILE 53 HN ILE 53 -2.468 -11.955 0.310 406 HA ILE 53 HA ILE 53 -0.859 -9.652 -0.540 407 HB ILE 53 HB ILE 53 -1.567 -11.854 -1.952 408 1HG1 ILE 53 HG12 ILE 53 -1.268 -10.330 -4.031 409 2HG1 ILE 53 HG11 ILE 53 -0.998 -9.049 -2.853 410 1HG2 ILE 53 HG21 ILE 53 -3.941 -11.358 -1.882 411 2HG2 ILE 53 HG22 ILE 53 -3.333 -11.303 -3.538 412 3HG2 ILE 53 HG23 ILE 53 -3.654 -9.807 -2.667 413 1HD1 ILE 53 HD11 ILE 53 1.142 -9.759 -3.241 414 2HD1 ILE 53 HD12 ILE 53 0.660 -11.438 -3.483 415 3HD1 ILE 53 HD13 ILE 53 0.716 -10.763 -1.854 416 H PHE 54 HN PHE 54 -1.629 -7.696 -0.194 417 HA PHE 54 HA PHE 54 -4.507 -7.341 0.287 418 1HB PHE 54 HB2 PHE 54 -2.074 -5.799 1.075 419 2HB PHE 54 HB1 PHE 54 -3.586 -4.953 0.885 420 HD1 PHE 54 HD1 PHE 54 -2.862 -8.317 2.316 421 HD2 PHE 54 HD2 PHE 54 -4.356 -4.384 2.946 422 HE1 PHE 54 HE1 PHE 54 -3.583 -8.944 4.590 423 HE2 PHE 54 HE2 PHE 54 -5.066 -5.010 5.213 424 HZ PHE 54 HZ PHE 54 -4.674 -7.295 6.037 425 H LEU 55 HN LEU 55 -5.728 -6.437 -1.235 426 HA LEU 55 HA LEU 55 -4.481 -4.466 -2.964 427 1HB LEU 55 HB2 LEU 55 -4.974 -5.414 -4.941 428 2HB LEU 55 HB1 LEU 55 -4.591 -6.845 -3.999 429 HG LEU 55 HG LEU 55 -7.170 -6.876 -3.611 430 1HD1 LEU 55 HD11 LEU 55 -7.917 -6.074 -6.101 431 2HD1 LEU 55 HD12 LEU 55 -6.765 -4.830 -5.615 432 3HD1 LEU 55 HD13 LEU 55 -8.168 -5.169 -4.607 433 1HD2 LEU 55 HD21 LEU 55 -5.748 -7.700 -6.135 434 2HD2 LEU 55 HD22 LEU 55 -7.375 -8.234 -5.710 435 3HD2 LEU 55 HD23 LEU 55 -6.008 -8.672 -4.686 436 H GLU 56 HN GLU 56 -6.163 -3.288 -4.286 437 HA GLU 56 HA GLU 56 -8.603 -3.013 -2.655 438 1HB GLU 56 HB2 GLU 56 -6.801 -1.182 -2.601 439 2HB GLU 56 HB1 GLU 56 -7.375 -0.786 -4.215 440 1HG GLU 56 HG2 GLU 56 -9.284 0.132 -3.463 441 2HG GLU 56 HG1 GLU 56 -9.462 -1.042 -2.162 442 H VAL 57 HN VAL 57 -10.448 -3.268 -3.684 443 HA VAL 57 HA VAL 57 -10.436 -2.994 -6.614 444 HB VAL 57 HB VAL 57 -12.446 -4.627 -5.093 445 1HG1 VAL 57 HG11 VAL 57 -11.459 -4.982 -7.889 446 2HG1 VAL 57 HG12 VAL 57 -12.690 -3.781 -7.500 447 3HG1 VAL 57 HG13 VAL 57 -12.989 -5.489 -7.174 448 1HG2 VAL 57 HG21 VAL 57 -9.847 -5.611 -6.272 449 2HG2 VAL 57 HG22 VAL 57 -11.135 -6.623 -5.621 450 3HG2 VAL 57 HG23 VAL 57 -10.238 -5.543 -4.553 451 H ASP 58 HN ASP 58 -11.520 -1.307 -7.347 452 HA ASP 58 HA ASP 58 -13.532 -0.036 -5.657 453 1HB ASP 58 HB2 ASP 58 -11.842 1.436 -6.599 454 2HB ASP 58 HB1 ASP 58 -12.190 0.849 -8.223 455 H VAL 59 HN VAL 59 -15.574 -0.674 -5.905 456 HA VAL 59 HA VAL 59 -16.476 -2.338 -7.939 457 HB VAL 59 HB VAL 59 -17.583 -2.067 -5.730 458 1HG1 VAL 59 HG11 VAL 59 -18.931 0.360 -6.880 459 2HG1 VAL 59 HG12 VAL 59 -17.511 0.471 -5.840 460 3HG1 VAL 59 HG13 VAL 59 -18.994 -0.259 -5.229 461 1HG2 VAL 59 HG21 VAL 59 -19.055 -3.272 -6.906 462 2HG2 VAL 59 HG22 VAL 59 -18.911 -2.238 -8.327 463 3HG2 VAL 59 HG23 VAL 59 -19.984 -1.776 -7.007 464 H ASP 60 HN ASP 60 -16.005 1.055 -7.975 465 HA ASP 60 HA ASP 60 -17.931 1.764 -9.919 466 1HB ASP 60 HB2 ASP 60 -15.952 3.090 -8.439 467 2HB ASP 60 HB1 ASP 60 -15.492 3.314 -10.125 468 H ASP 61 HN ASP 61 -14.636 0.552 -10.098 469 HA ASP 61 HA ASP 61 -14.772 0.536 -13.033 470 1HB ASP 61 HB2 ASP 61 -12.481 0.128 -11.113 471 2HB ASP 61 HB1 ASP 61 -12.338 -0.132 -12.848 472 H ALA 62 HN ALA 62 -14.203 -1.597 -10.264 473 HA ALA 62 HA ALA 62 -14.188 -3.940 -11.950 474 1HB ALA 62 HB1 ALA 62 -13.399 -5.110 -10.151 475 2HB ALA 62 HB2 ALA 62 -14.299 -4.145 -8.981 476 3HB ALA 62 HB3 ALA 62 -12.846 -3.487 -9.732 477 H GLN 63 HN GLN 63 -16.567 -2.661 -12.300 478 HA GLN 63 HA GLN 63 -18.567 -3.666 -10.524 479 1HB GLN 63 HB2 GLN 63 -18.621 -1.596 -12.175 480 2HB GLN 63 HB1 GLN 63 -19.262 -2.796 -13.289 481 1HG GLN 63 HG2 GLN 63 -20.971 -3.360 -11.544 482 2HG GLN 63 HG1 GLN 63 -20.408 -1.956 -10.642 483 1HE2 GLN 63 HE21 GLN 63 -23.016 -2.164 -11.424 484 2HE2 GLN 63 HE22 GLN 63 -23.350 -0.993 -12.651 485 H ASP 64 HN ASP 64 -16.772 -5.058 -13.018 486 HA ASP 64 HA ASP 64 -18.838 -6.886 -13.879 487 1HB ASP 64 HB2 ASP 64 -16.001 -6.350 -14.614 488 2HB ASP 64 HB1 ASP 64 -16.607 -7.979 -14.899 489 H VAL 65 HN VAL 65 -16.378 -6.722 -11.456 490 HA VAL 65 HA VAL 65 -16.303 -9.577 -11.009 491 HB VAL 65 HB VAL 65 -14.702 -9.160 -9.271 492 1HG1 VAL 65 HG11 VAL 65 -13.023 -7.826 -10.508 493 2HG1 VAL 65 HG12 VAL 65 -14.290 -7.333 -11.631 494 3HG1 VAL 65 HG13 VAL 65 -13.835 -9.032 -11.510 495 1HG2 VAL 65 HG21 VAL 65 -14.128 -7.010 -8.424 496 2HG2 VAL 65 HG22 VAL 65 -15.877 -7.184 -8.283 497 3HG2 VAL 65 HG23 VAL 65 -15.186 -6.209 -9.576 498 H ALA 66 HN ALA 66 -17.529 -6.745 -9.162 499 HA ALA 66 HA ALA 66 -18.446 -7.952 -6.916 500 1HB ALA 66 HB1 ALA 66 -19.206 -5.905 -6.526 501 2HB ALA 66 HB2 ALA 66 -20.396 -6.038 -7.821 502 3HB ALA 66 HB3 ALA 66 -18.759 -5.485 -8.180 503 HA PRO 67 HA PRO 67 -22.831 -8.729 -9.008 504 1HB PRO 67 HB2 PRO 67 -21.853 -9.094 -11.798 505 2HB PRO 67 HB1 PRO 67 -23.360 -8.373 -11.218 506 1HG PRO 67 HG2 PRO 67 -21.404 -6.822 -12.104 507 2HG PRO 67 HG1 PRO 67 -22.335 -6.354 -10.673 508 1HD PRO 67 HD2 PRO 67 -19.594 -7.538 -10.858 509 2HD PRO 67 HD1 PRO 67 -20.200 -6.255 -9.789 510 H LYS 68 HN LYS 68 -19.829 -10.178 -10.013 511 HA LYS 68 HA LYS 68 -20.947 -12.792 -10.456 512 1HB LYS 68 HB2 LYS 68 -18.186 -11.643 -10.416 513 2HB LYS 68 HB1 LYS 68 -18.395 -13.387 -10.313 514 1HG LYS 68 HG2 LYS 68 -19.395 -13.508 -12.426 515 2HG LYS 68 HG1 LYS 68 -19.693 -11.770 -12.477 516 1HD LYS 68 HD2 LYS 68 -17.596 -11.301 -13.175 517 2HD LYS 68 HD1 LYS 68 -16.874 -12.574 -12.188 518 1HE LYS 68 HE2 LYS 68 -18.445 -13.091 -14.706 519 2HE LYS 68 HE1 LYS 68 -16.690 -12.920 -14.664 520 1HZ LYS 68 HZ1 LYS 68 -17.027 -15.193 -14.528 521 2HZ LYS 68 HZ2 LYS 68 -18.361 -15.053 -13.496 522 3HZ LYS 68 HZ3 LYS 68 -16.803 -14.757 -12.908 523 H TYR 69 HN TYR 69 -19.914 -10.994 -7.697 524 HA TYR 69 HA TYR 69 -19.727 -13.443 -6.064 525 1HB TYR 69 HB2 TYR 69 -18.774 -10.616 -5.563 526 2HB TYR 69 HB1 TYR 69 -18.687 -11.922 -4.391 527 HD1 TYR 69 HD1 TYR 69 -17.462 -14.105 -5.315 528 HD2 TYR 69 HD2 TYR 69 -16.910 -10.168 -6.823 529 HE1 TYR 69 HE1 TYR 69 -15.297 -14.774 -6.255 530 HE2 TYR 69 HE2 TYR 69 -14.743 -10.821 -7.768 531 HH TYR 69 HH TYR 69 -13.814 -13.883 -8.280 532 H GLY 70 HN GLY 70 -21.768 -10.966 -6.928 533 1HA GLY 70 HA2 GLY 70 -23.821 -10.295 -6.154 534 2HA GLY 70 HA1 GLY 70 -23.763 -11.674 -5.067 535 H ILE 71 HN ILE 71 -21.454 -8.966 -5.123 536 HA ILE 71 HA ILE 71 -21.847 -8.545 -2.308 537 HB ILE 71 HB ILE 71 -20.243 -6.936 -4.314 538 1HG1 ILE 71 HG12 ILE 71 -19.325 -9.001 -2.302 539 2HG1 ILE 71 HG11 ILE 71 -19.509 -9.300 -4.027 540 1HG2 ILE 71 HG21 ILE 71 -20.854 -5.640 -2.318 541 2HG2 ILE 71 HG22 ILE 71 -19.123 -5.966 -2.387 542 3HG2 ILE 71 HG23 ILE 71 -20.151 -6.895 -1.297 543 1HD1 ILE 71 HD11 ILE 71 -17.891 -7.129 -4.048 544 2HD1 ILE 71 HD12 ILE 71 -17.333 -8.801 -4.094 545 3HD1 ILE 71 HD13 ILE 71 -17.378 -7.929 -2.563 546 H ARG 72 HN ARG 72 -23.124 -7.040 -1.352 547 HA ARG 72 HA ARG 72 -24.180 -4.827 -2.928 548 1HB ARG 72 HB2 ARG 72 -25.755 -6.697 -3.263 549 2HB ARG 72 HB1 ARG 72 -25.967 -6.820 -1.523 550 1HG ARG 72 HG2 ARG 72 -27.205 -4.885 -1.401 551 2HG ARG 72 HG1 ARG 72 -26.530 -4.234 -2.896 552 1HD ARG 72 HD2 ARG 72 -27.862 -5.623 -4.234 553 2HD ARG 72 HD1 ARG 72 -28.231 -6.705 -2.893 554 HE ARG 72 HE ARG 72 -29.327 -4.370 -2.101 555 1HH1 ARG 72 HH11 ARG 72 -29.577 -6.233 -5.042 556 2HH1 ARG 72 HH12 ARG 72 -31.190 -5.708 -5.386 557 1HH2 ARG 72 HH21 ARG 72 -31.451 -3.680 -2.550 558 2HH2 ARG 72 HH22 ARG 72 -32.253 -4.259 -3.972 559 H GLY 73 HN GLY 73 -22.360 -4.497 -0.951 560 1HA GLY 73 HA2 GLY 73 -23.606 -2.714 0.790 561 2HA GLY 73 HA1 GLY 73 -23.393 -4.229 1.655 562 H ILE 74 HN ILE 74 -21.923 -1.350 0.627 563 HA ILE 74 HA ILE 74 -19.226 -2.352 1.192 564 HB ILE 74 HB ILE 74 -18.519 -0.041 0.435 565 1HG1 ILE 74 HG12 ILE 74 -21.350 0.098 -0.621 566 2HG1 ILE 74 HG11 ILE 74 -20.800 0.968 0.808 567 1HG2 ILE 74 HG21 ILE 74 -18.895 -0.560 -1.970 568 2HG2 ILE 74 HG22 ILE 74 -19.981 -1.857 -1.472 569 3HG2 ILE 74 HG23 ILE 74 -18.275 -1.919 -1.031 570 1HD1 ILE 74 HD11 ILE 74 -20.354 1.526 -2.032 571 2HD1 ILE 74 HD12 ILE 74 -18.942 1.737 -0.997 572 3HD1 ILE 74 HD13 ILE 74 -20.430 2.619 -0.651 573 HA PRO 75 HA PRO 75 -17.311 -1.239 1.566 574 1HB PRO 75 HB2 PRO 75 -15.669 -1.467 3.903 575 2HB PRO 75 HB1 PRO 75 -15.628 -0.207 2.669 576 1HG PRO 75 HG2 PRO 75 -16.406 0.179 5.293 577 2HG PRO 75 HG1 PRO 75 -16.846 1.233 3.940 578 1HD PRO 75 HD2 PRO 75 -18.444 -0.914 5.272 579 2HD PRO 75 HD1 PRO 75 -18.972 0.662 4.641 580 H THR 76 HN THR 76 -17.327 -3.305 0.908 581 HA THR 76 HA THR 76 -17.782 -5.453 2.805 582 HB THR 76 HB THR 76 -17.260 -6.029 -0.054 583 HG1 THR 76 HG1 THR 76 -18.730 -4.755 -0.781 584 1HG2 THR 76 HG21 THR 76 -18.182 -7.594 1.831 585 2HG2 THR 76 HG22 THR 76 -18.791 -7.700 0.178 586 3HG2 THR 76 HG23 THR 76 -19.716 -6.836 1.407 587 H LEU 77 HN LEU 77 -16.304 -6.982 3.372 588 HA LEU 77 HA LEU 77 -13.593 -6.630 2.307 589 1HB LEU 77 HB2 LEU 77 -14.582 -7.027 5.001 590 2HB LEU 77 HB1 LEU 77 -13.460 -8.303 4.570 591 HG LEU 77 HG LEU 77 -11.718 -6.695 4.107 592 1HD1 LEU 77 HD11 LEU 77 -12.277 -4.267 4.850 593 2HD1 LEU 77 HD12 LEU 77 -13.935 -4.730 4.470 594 3HD1 LEU 77 HD13 LEU 77 -12.690 -4.805 3.223 595 1HD2 LEU 77 HD21 LEU 77 -13.133 -6.659 6.717 596 2HD2 LEU 77 HD22 LEU 77 -11.811 -5.518 6.474 597 3HD2 LEU 77 HD23 LEU 77 -11.522 -7.250 6.309 598 H LEU 78 HN LEU 78 -12.966 -8.079 0.912 599 HA LEU 78 HA LEU 78 -14.356 -10.664 0.875 600 1HB LEU 78 HB2 LEU 78 -13.063 -8.995 -1.245 601 2HB LEU 78 HB1 LEU 78 -13.183 -10.724 -1.471 602 HG LEU 78 HG LEU 78 -15.187 -8.667 -1.852 603 1HD1 LEU 78 HD11 LEU 78 -15.094 -9.957 -3.680 604 2HD1 LEU 78 HD12 LEU 78 -16.241 -10.971 -2.805 605 3HD1 LEU 78 HD13 LEU 78 -14.522 -11.363 -2.787 606 1HD2 LEU 78 HD21 LEU 78 -16.026 -9.381 0.322 607 2HD2 LEU 78 HD22 LEU 78 -16.013 -11.060 -0.217 608 3HD2 LEU 78 HD23 LEU 78 -17.104 -9.900 -0.974 609 H LEU 79 HN LEU 79 -13.342 -12.442 1.321 610 HA LEU 79 HA LEU 79 -10.412 -12.401 1.511 611 1HB LEU 79 HB2 LEU 79 -12.563 -13.546 3.175 612 2HB LEU 79 HB1 LEU 79 -11.225 -14.634 2.875 613 HG LEU 79 HG LEU 79 -11.034 -13.380 4.999 614 1HD1 LEU 79 HD11 LEU 79 -9.003 -14.193 4.225 615 2HD1 LEU 79 HD12 LEU 79 -8.683 -12.481 4.487 616 3HD1 LEU 79 HD13 LEU 79 -8.969 -13.085 2.855 617 1HD2 LEU 79 HD21 LEU 79 -12.081 -11.290 4.134 618 2HD2 LEU 79 HD22 LEU 79 -10.588 -10.969 3.252 619 3HD2 LEU 79 HD23 LEU 79 -10.574 -11.035 5.014 620 H PHE 80 HN PHE 80 -9.297 -13.788 0.183 621 HA PHE 80 HA PHE 80 -10.879 -15.872 -1.164 622 1HB PHE 80 HB2 PHE 80 -8.849 -13.983 -2.303 623 2HB PHE 80 HB1 PHE 80 -9.184 -15.514 -3.084 624 HD1 PHE 80 HD1 PHE 80 -10.736 -12.344 -1.959 625 HD2 PHE 80 HD2 PHE 80 -11.012 -15.734 -4.521 626 HE1 PHE 80 HE1 PHE 80 -12.610 -11.291 -3.149 627 HE2 PHE 80 HE2 PHE 80 -12.896 -14.682 -5.711 628 HZ PHE 80 HZ PHE 80 -13.695 -12.458 -5.021 629 H LYS 81 HN LYS 81 -9.785 -17.766 -1.700 630 HA LYS 81 HA LYS 81 -7.138 -18.263 -0.552 631 1HB LYS 81 HB2 LYS 81 -9.347 -18.897 0.905 632 2HB LYS 81 HB1 LYS 81 -9.185 -20.351 -0.054 633 1HG LYS 81 HG2 LYS 81 -7.652 -21.094 1.340 634 2HG LYS 81 HG1 LYS 81 -6.623 -19.715 0.951 635 1HD LYS 81 HD2 LYS 81 -8.255 -18.486 2.635 636 2HD LYS 81 HD1 LYS 81 -8.471 -20.127 3.247 637 1HE LYS 81 HE2 LYS 81 -5.869 -18.630 2.966 638 2HE LYS 81 HE1 LYS 81 -6.697 -19.029 4.471 639 1HZ LYS 81 HZ1 LYS 81 -4.754 -20.498 3.649 640 2HZ LYS 81 HZ2 LYS 81 -5.908 -21.181 2.618 641 3HZ LYS 81 HZ3 LYS 81 -6.130 -21.243 4.295 642 H ASN 82 HN ASN 82 -6.009 -19.131 -2.283 643 HA ASN 82 HA ASN 82 -5.584 -20.300 -4.175 644 1HB ASN 82 HB2 ASN 82 -7.576 -22.092 -2.791 645 2HB ASN 82 HB1 ASN 82 -6.797 -22.552 -4.299 646 1HD2 ASN 82 HD21 ASN 82 -4.697 -20.677 -2.407 647 2HD2 ASN 82 HD22 ASN 82 -3.811 -21.975 -1.692 648 H GLY 83 HN GLY 83 -7.155 -18.197 -4.708 649 1HA GLY 83 HA2 GLY 83 -8.477 -17.352 -6.381 650 2HA GLY 83 HA1 GLY 83 -8.471 -18.956 -7.090 651 H GLU 84 HN GLU 84 -9.641 -19.261 -3.994 652 HA GLU 84 HA GLU 84 -12.422 -18.967 -4.920 653 1HB GLU 84 HB2 GLU 84 -11.356 -21.337 -4.443 654 2HB GLU 84 HB1 GLU 84 -11.655 -20.901 -2.766 655 1HG GLU 84 HG2 GLU 84 -14.061 -20.339 -3.794 656 2HG GLU 84 HG1 GLU 84 -13.551 -21.604 -4.913 657 H VAL 85 HN VAL 85 -13.890 -17.995 -3.497 658 HA VAL 85 HA VAL 85 -12.932 -16.117 -1.709 659 HB VAL 85 HB VAL 85 -15.639 -17.465 -1.743 660 1HG1 VAL 85 HG11 VAL 85 -16.115 -15.136 -0.493 661 2HG1 VAL 85 HG12 VAL 85 -14.497 -15.477 0.119 662 3HG1 VAL 85 HG13 VAL 85 -15.796 -16.644 0.365 663 1HG2 VAL 85 HG21 VAL 85 -15.307 -16.204 -3.721 664 2HG2 VAL 85 HG22 VAL 85 -14.569 -14.873 -2.831 665 3HG2 VAL 85 HG23 VAL 85 -16.294 -15.198 -2.660 666 H ALA 86 HN ALA 86 -12.294 -16.157 0.360 667 HA ALA 86 HA ALA 86 -12.222 -18.724 1.709 668 1HB ALA 86 HB1 ALA 86 -10.286 -17.978 2.871 669 2HB ALA 86 HB2 ALA 86 -10.591 -16.311 2.393 670 3HB ALA 86 HB3 ALA 86 -10.081 -17.484 1.188 671 H ALA 87 HN ALA 87 -13.381 -15.600 1.930 672 HA ALA 87 HA ALA 87 -15.196 -16.168 4.003 673 1HB ALA 87 HB1 ALA 87 -12.592 -15.320 4.846 674 2HB ALA 87 HB2 ALA 87 -13.983 -15.798 5.820 675 3HB ALA 87 HB3 ALA 87 -13.799 -14.123 5.305 676 H THR 88 HN THR 88 -16.496 -14.270 4.612 677 HA THR 88 HA THR 88 -16.198 -11.996 2.792 678 HB THR 88 HB THR 88 -17.812 -13.089 1.569 679 HG1 THR 88 HG1 THR 88 -19.045 -11.408 1.822 680 1HG2 THR 88 HG21 THR 88 -18.379 -14.509 4.024 681 2HG2 THR 88 HG22 THR 88 -18.603 -15.002 2.346 682 3HG2 THR 88 HG23 THR 88 -19.845 -14.050 3.157 683 H LYS 89 HN LYS 89 -16.616 -10.058 3.711 684 HA LYS 89 HA LYS 89 -18.061 -9.993 6.259 685 1HB LYS 89 HB2 LYS 89 -15.243 -9.459 5.843 686 2HB LYS 89 HB1 LYS 89 -16.064 -8.036 6.469 687 1HG LYS 89 HG2 LYS 89 -16.599 -10.642 7.785 688 2HG LYS 89 HG1 LYS 89 -15.036 -9.870 8.059 689 1HD LYS 89 HD2 LYS 89 -16.470 -7.752 8.541 690 2HD LYS 89 HD1 LYS 89 -17.777 -8.912 8.778 691 1HE LYS 89 HE2 LYS 89 -15.239 -9.537 10.141 692 2HE LYS 89 HE1 LYS 89 -16.095 -8.113 10.731 693 1HZ LYS 89 HZ1 LYS 89 -17.816 -9.349 11.498 694 2HZ LYS 89 HZ2 LYS 89 -16.603 -10.520 11.636 695 3HZ LYS 89 HZ3 LYS 89 -17.657 -10.546 10.313 696 H VAL 90 HN VAL 90 -19.370 -8.235 6.514 697 HA VAL 90 HA VAL 90 -19.341 -6.240 4.341 698 HB VAL 90 HB VAL 90 -21.778 -7.148 5.878 699 1HG1 VAL 90 HG11 VAL 90 -23.032 -5.783 4.531 700 2HG1 VAL 90 HG12 VAL 90 -21.852 -5.804 3.221 701 3HG1 VAL 90 HG13 VAL 90 -21.556 -4.830 4.659 702 1HG2 VAL 90 HG21 VAL 90 -20.467 -8.257 3.474 703 2HG2 VAL 90 HG22 VAL 90 -22.220 -8.080 3.406 704 3HG2 VAL 90 HG23 VAL 90 -21.481 -9.045 4.683 705 H GLY 91 HN GLY 91 -19.698 -4.070 4.873 706 1HA GLY 91 HA2 GLY 91 -20.018 -2.241 6.248 707 2HA GLY 91 HA1 GLY 91 -20.311 -3.330 7.589 708 H ALA 92 HN ALA 92 -18.818 -0.988 7.776 709 HA ALA 92 HA ALA 92 -16.033 -1.421 7.560 710 1HB ALA 92 HB1 ALA 92 -17.020 0.494 9.587 711 2HB ALA 92 HB2 ALA 92 -17.528 0.763 7.920 712 3HB ALA 92 HB3 ALA 92 -15.811 0.701 8.321 713 H LEU 93 HN LEU 93 -14.486 -1.716 9.206 714 HA LEU 93 HA LEU 93 -15.390 -2.681 11.798 715 1HB LEU 93 HB2 LEU 93 -13.797 -4.668 11.516 716 2HB LEU 93 HB1 LEU 93 -15.364 -4.755 10.732 717 HG LEU 93 HG LEU 93 -13.124 -3.692 9.104 718 1HD1 LEU 93 HD11 LEU 93 -11.784 -5.412 9.630 719 2HD1 LEU 93 HD12 LEU 93 -12.876 -6.349 8.613 720 3HD1 LEU 93 HD13 LEU 93 -13.092 -6.341 10.362 721 1HD2 LEU 93 HD21 LEU 93 -15.150 -5.775 8.375 722 2HD2 LEU 93 HD22 LEU 93 -14.308 -4.629 7.332 723 3HD2 LEU 93 HD23 LEU 93 -15.571 -4.065 8.424 724 H SER 94 HN SER 94 -13.743 -2.669 13.402 725 HA SER 94 HA SER 94 -11.820 -0.618 13.051 726 1HB SER 94 HB2 SER 94 -12.640 -2.428 15.254 727 2HB SER 94 HB1 SER 94 -11.019 -1.740 15.360 728 HG SER 94 HG SER 94 -12.226 -0.208 16.273 729 H LYS 95 HN LYS 95 -9.483 -1.148 14.011 730 HA LYS 95 HA LYS 95 -8.228 -2.742 12.013 731 1HB LYS 95 HB2 LYS 95 -7.120 -0.750 12.817 732 2HB LYS 95 HB1 LYS 95 -7.101 -1.378 14.460 733 1HG LYS 95 HG2 LYS 95 -5.359 -2.783 14.057 734 2HG LYS 95 HG1 LYS 95 -5.780 -2.997 12.358 735 1HD LYS 95 HD2 LYS 95 -4.985 -0.707 11.901 736 2HD LYS 95 HD1 LYS 95 -4.512 -0.555 13.595 737 1HE LYS 95 HE2 LYS 95 -3.270 -2.863 12.935 738 2HE LYS 95 HE1 LYS 95 -3.222 -2.019 11.388 739 1HZ LYS 95 HZ1 LYS 95 -1.876 -0.391 12.216 740 2HZ LYS 95 HZ2 LYS 95 -1.349 -1.691 13.160 741 3HZ LYS 95 HZ3 LYS 95 -2.428 -0.562 13.806 742 H GLY 96 HN GLY 96 -9.104 -3.302 15.375 743 1HA GLY 96 HA2 GLY 96 -7.440 -5.607 15.634 744 2HA GLY 96 HA1 GLY 96 -8.709 -5.112 16.741 745 H GLN 97 HN GLN 97 -10.752 -5.054 14.634 746 HA GLN 97 HA GLN 97 -11.483 -7.827 14.754 747 1HB GLN 97 HB2 GLN 97 -12.860 -5.734 13.078 748 2HB GLN 97 HB1 GLN 97 -13.550 -7.195 13.769 749 1HG GLN 97 HG2 GLN 97 -13.501 -6.279 15.961 750 2HG GLN 97 HG1 GLN 97 -12.533 -4.904 15.431 751 1HE2 GLN 97 HE21 GLN 97 -14.989 -4.697 16.806 752 2HE2 GLN 97 HE22 GLN 97 -16.148 -3.974 15.747 753 H LEU 98 HN LEU 98 -10.170 -5.669 12.347 754 HA LEU 98 HA LEU 98 -10.577 -7.422 10.128 755 1HB LEU 98 HB2 LEU 98 -9.815 -4.834 10.291 756 2HB LEU 98 HB1 LEU 98 -8.255 -5.591 10.018 757 HG LEU 98 HG LEU 98 -10.532 -6.329 8.235 758 1HD1 LEU 98 HD11 LEU 98 -10.538 -3.845 8.390 759 2HD1 LEU 98 HD12 LEU 98 -10.167 -4.470 6.783 760 3HD1 LEU 98 HD13 LEU 98 -8.873 -3.855 7.811 761 1HD2 LEU 98 HD21 LEU 98 -8.917 -7.075 6.831 762 2HD2 LEU 98 HD22 LEU 98 -8.009 -7.184 8.339 763 3HD2 LEU 98 HD23 LEU 98 -7.786 -5.796 7.276 764 H LYS 99 HN LYS 99 -7.795 -6.730 12.222 765 HA LYS 99 HA LYS 99 -6.029 -8.593 11.095 766 1HB LYS 99 HB2 LYS 99 -5.710 -6.719 12.947 767 2HB LYS 99 HB1 LYS 99 -5.959 -8.077 14.035 768 1HG LYS 99 HG2 LYS 99 -4.121 -9.260 12.755 769 2HG LYS 99 HG1 LYS 99 -3.779 -7.698 12.007 770 1HD LYS 99 HD2 LYS 99 -2.308 -7.901 13.859 771 2HD LYS 99 HD1 LYS 99 -3.565 -6.758 14.335 772 1HE LYS 99 HE2 LYS 99 -4.610 -8.318 15.732 773 2HE LYS 99 HE1 LYS 99 -3.781 -9.679 14.979 774 1HZ LYS 99 HZ1 LYS 99 -2.797 -7.784 16.985 775 2HZ LYS 99 HZ2 LYS 99 -1.686 -8.437 15.891 776 3HZ LYS 99 HZ3 LYS 99 -2.587 -9.460 16.892 777 H GLU 100 HN GLU 100 -8.404 -8.902 13.707 778 HA GLU 100 HA GLU 100 -7.770 -11.527 14.474 779 1HB GLU 100 HB2 GLU 100 -9.620 -11.433 15.833 780 2HB GLU 100 HB1 GLU 100 -9.387 -9.721 15.537 781 1HG GLU 100 HG2 GLU 100 -11.573 -9.760 15.077 782 2HG GLU 100 HG1 GLU 100 -11.047 -10.345 13.505 783 H PHE 101 HN PHE 101 -9.894 -10.246 11.978 784 HA PHE 101 HA PHE 101 -11.120 -12.652 11.198 785 1HB PHE 101 HB2 PHE 101 -11.743 -10.240 10.604 786 2HB PHE 101 HB1 PHE 101 -10.500 -10.345 9.362 787 HD1 PHE 101 HD1 PHE 101 -13.041 -12.802 10.521 788 HD2 PHE 101 HD2 PHE 101 -11.545 -10.428 7.324 789 HE1 PHE 101 HE1 PHE 101 -14.669 -13.840 8.997 790 HE2 PHE 101 HE2 PHE 101 -13.169 -11.463 5.791 791 HZ PHE 101 HZ PHE 101 -14.736 -13.168 6.630 792 H LEU 102 HN LEU 102 -8.190 -11.025 10.095 793 HA LEU 102 HA LEU 102 -7.602 -12.862 7.996 794 1HB LEU 102 HB2 LEU 102 -6.249 -10.601 9.317 795 2HB LEU 102 HB1 LEU 102 -5.166 -11.827 8.680 796 HG LEU 102 HG LEU 102 -7.298 -10.434 7.061 797 1HD1 LEU 102 HD11 LEU 102 -5.586 -9.086 6.113 798 2HD1 LEU 102 HD12 LEU 102 -4.330 -9.958 6.988 799 3HD1 LEU 102 HD13 LEU 102 -5.465 -8.933 7.866 800 1HD2 LEU 102 HD21 LEU 102 -6.551 -11.585 5.226 801 2HD2 LEU 102 HD22 LEU 102 -6.357 -12.807 6.483 802 3HD2 LEU 102 HD23 LEU 102 -4.961 -11.887 5.925 803 H ASP 103 HN ASP 103 -6.259 -12.450 11.280 804 HA ASP 103 HA ASP 103 -4.533 -14.609 11.309 805 1HB ASP 103 HB2 ASP 103 -5.288 -12.751 13.141 806 2HB ASP 103 HB1 ASP 103 -6.057 -14.188 13.808 807 H ALA 104 HN ALA 104 -8.021 -14.552 11.830 808 HA ALA 104 HA ALA 104 -8.239 -17.263 12.673 809 1HB ALA 104 HB1 ALA 104 -10.072 -16.119 13.368 810 2HB ALA 104 HB2 ALA 104 -10.716 -16.784 11.866 811 3HB ALA 104 HB3 ALA 104 -10.136 -15.120 11.916 812 H ASN 105 HN ASN 105 -7.945 -15.770 9.566 813 HA ASN 105 HA ASN 105 -8.850 -18.255 8.268 814 1HB ASN 105 HB2 ASN 105 -9.512 -15.670 7.701 815 2HB ASN 105 HB1 ASN 105 -8.208 -15.956 6.555 816 1HD2 ASN 105 HD21 ASN 105 -9.897 -15.685 4.952 817 2HD2 ASN 105 HD22 ASN 105 -10.896 -17.033 4.539 818 H LEU 106 HN LEU 106 -6.185 -15.899 8.201 819 HA LEU 106 HA LEU 106 -4.527 -17.260 6.377 820 1HB LEU 106 HB2 LEU 106 -4.128 -14.952 7.044 821 2HB LEU 106 HB1 LEU 106 -3.814 -15.474 8.686 822 HG LEU 106 HG LEU 106 -1.843 -16.758 7.843 823 1HD1 LEU 106 HD11 LEU 106 -2.045 -17.149 5.614 824 2HD1 LEU 106 HD12 LEU 106 -1.057 -15.689 5.553 825 3HD1 LEU 106 HD13 LEU 106 -2.798 -15.587 5.291 826 1HD2 LEU 106 HD21 LEU 106 -1.288 -14.763 8.886 827 2HD2 LEU 106 HD22 LEU 106 -2.030 -13.779 7.624 828 3HD2 LEU 106 HD23 LEU 106 -0.509 -14.616 7.310 829 H VAL 107 HN VAL 107 -4.535 -19.443 6.874 830 HA VAL 107 HA VAL 107 -2.504 -20.384 8.565 831 HB VAL 107 HB VAL 107 -3.918 -19.870 10.424 832 1HG1 VAL 107 HG11 VAL 107 -6.200 -21.296 10.375 833 2HG1 VAL 107 HG12 VAL 107 -6.031 -20.916 8.661 834 3HG1 VAL 107 HG13 VAL 107 -6.081 -19.616 9.853 835 1HG2 VAL 107 HG21 VAL 107 -2.736 -22.117 10.348 836 2HG2 VAL 107 HG22 VAL 107 -4.314 -22.820 9.991 837 3HG2 VAL 107 HG23 VAL 107 -4.055 -21.960 11.509 Start of MODEL 11 1 1H MET 1 HT1 MET 1 2.595 -7.133 -1.435 2 2H MET 1 HT2 MET 1 1.993 -6.182 -0.140 3 3H MET 1 HT3 MET 1 3.642 -6.065 -0.596 4 HA MET 1 HA MET 1 2.605 -4.194 -1.441 5 1HB MET 1 HB2 MET 1 3.222 -6.400 -3.363 6 2HB MET 1 HB1 MET 1 2.591 -4.884 -3.991 7 1HG MET 1 HG2 MET 1 4.464 -3.711 -3.446 8 2HG MET 1 HG1 MET 1 4.876 -4.779 -2.105 9 1HE MET 1 HE1 MET 1 7.984 -5.440 -3.615 10 2HE MET 1 HE2 MET 1 7.049 -4.081 -2.991 11 3HE MET 1 HE3 MET 1 7.474 -4.148 -4.702 12 H VAL 2 HN VAL 2 0.865 -3.134 -2.414 13 HA VAL 2 HA VAL 2 -1.601 -4.730 -2.623 14 HB VAL 2 HB VAL 2 -1.237 -1.816 -1.914 15 1HG1 VAL 2 HG11 VAL 2 -3.605 -1.591 -1.763 16 2HG1 VAL 2 HG12 VAL 2 -3.851 -3.309 -2.057 17 3HG1 VAL 2 HG13 VAL 2 -3.255 -2.269 -3.351 18 1HG2 VAL 2 HG21 VAL 2 -1.784 -2.344 0.257 19 2HG2 VAL 2 HG22 VAL 2 -0.862 -3.772 -0.221 20 3HG2 VAL 2 HG23 VAL 2 -2.625 -3.824 -0.201 21 H LYS 3 HN LYS 3 -3.063 -4.310 -4.400 22 HA LYS 3 HA LYS 3 -1.978 -2.533 -6.468 23 1HB LYS 3 HB2 LYS 3 -2.837 -4.632 -7.986 24 2HB LYS 3 HB1 LYS 3 -1.163 -4.337 -7.542 25 1HG LYS 3 HG2 LYS 3 -1.419 -5.835 -5.616 26 2HG LYS 3 HG1 LYS 3 -3.086 -6.153 -6.099 27 1HD LYS 3 HD2 LYS 3 -1.966 -7.952 -7.024 28 2HD LYS 3 HD1 LYS 3 -2.016 -6.819 -8.375 29 1HE LYS 3 HE2 LYS 3 0.217 -6.421 -8.303 30 2HE LYS 3 HE1 LYS 3 0.308 -6.625 -6.554 31 1HZ LYS 3 HZ1 LYS 3 0.709 -8.553 -8.649 32 2HZ LYS 3 HZ2 LYS 3 -0.317 -9.108 -7.423 33 3HZ LYS 3 HZ3 LYS 3 1.243 -8.575 -7.043 34 H GLN 4 HN GLN 4 -3.465 -1.304 -7.305 35 HA GLN 4 HA GLN 4 -6.240 -1.673 -6.638 36 1HB GLN 4 HB2 GLN 4 -5.111 0.541 -6.676 37 2HB GLN 4 HB1 GLN 4 -4.917 0.386 -8.414 38 1HG GLN 4 HG2 GLN 4 -6.864 1.392 -8.659 39 2HG GLN 4 HG1 GLN 4 -7.636 -0.021 -7.936 40 1HE2 GLN 4 HE21 GLN 4 -8.076 0.001 -5.698 41 2HE2 GLN 4 HE22 GLN 4 -8.227 1.481 -4.818 42 H ILE 5 HN ILE 5 -7.661 -2.794 -7.873 43 HA ILE 5 HA ILE 5 -6.881 -3.482 -10.625 44 HB ILE 5 HB ILE 5 -8.575 -4.853 -8.576 45 1HG1 ILE 5 HG12 ILE 5 -7.216 -6.751 -9.117 46 2HG1 ILE 5 HG11 ILE 5 -6.590 -5.966 -10.564 47 1HG2 ILE 5 HG21 ILE 5 -8.856 -5.149 -11.553 48 2HG2 ILE 5 HG22 ILE 5 -10.118 -4.893 -10.348 49 3HG2 ILE 5 HG23 ILE 5 -9.279 -6.441 -10.432 50 1HD1 ILE 5 HD11 ILE 5 -5.293 -6.104 -8.192 51 2HD1 ILE 5 HD12 ILE 5 -6.065 -4.524 -8.065 52 3HD1 ILE 5 HD13 ILE 5 -5.000 -4.878 -9.425 53 H GLU 6 HN GLU 6 -7.735 -2.240 -12.155 54 HA GLU 6 HA GLU 6 -10.375 -1.079 -11.742 55 1HB GLU 6 HB2 GLU 6 -7.964 -0.210 -13.059 56 2HB GLU 6 HB1 GLU 6 -9.336 -0.106 -14.151 57 1HG GLU 6 HG2 GLU 6 -10.537 1.257 -12.542 58 2HG GLU 6 HG1 GLU 6 -9.195 1.123 -11.406 59 H SER 7 HN SER 7 -9.619 -3.923 -12.752 60 HA SER 7 HA SER 7 -11.792 -4.041 -14.645 61 1HB SER 7 HB2 SER 7 -8.945 -4.435 -15.478 62 2HB SER 7 HB1 SER 7 -10.210 -5.392 -16.247 63 HG SER 7 HG SER 7 -10.021 -3.560 -17.452 64 H LYS 8 HN LYS 8 -12.779 -6.040 -14.723 65 HA LYS 8 HA LYS 8 -12.362 -7.825 -12.625 66 1HB LYS 8 HB2 LYS 8 -14.510 -7.699 -13.685 67 2HB LYS 8 HB1 LYS 8 -13.833 -8.161 -15.237 68 1HG LYS 8 HG2 LYS 8 -13.182 -10.272 -13.543 69 2HG LYS 8 HG1 LYS 8 -14.818 -9.811 -13.075 70 1HD LYS 8 HD2 LYS 8 -15.608 -10.892 -14.846 71 2HD LYS 8 HD1 LYS 8 -14.729 -9.782 -15.898 72 1HE LYS 8 HE2 LYS 8 -12.757 -11.220 -15.765 73 2HE LYS 8 HE1 LYS 8 -13.636 -12.330 -14.714 74 1HZ LYS 8 HZ1 LYS 8 -13.481 -12.693 -17.303 75 2HZ LYS 8 HZ2 LYS 8 -14.833 -11.679 -17.300 76 3HZ LYS 8 HZ3 LYS 8 -14.862 -13.130 -16.431 77 H THR 9 HN THR 9 -10.811 -7.654 -15.714 78 HA THR 9 HA THR 9 -9.892 -10.389 -15.665 79 HB THR 9 HB THR 9 -8.759 -8.111 -17.297 80 HG1 THR 9 HG1 THR 9 -10.550 -8.099 -18.361 81 1HG2 THR 9 HG21 THR 9 -7.601 -10.389 -17.227 82 2HG2 THR 9 HG22 THR 9 -7.980 -9.697 -18.804 83 3HG2 THR 9 HG23 THR 9 -8.995 -10.974 -18.133 84 H ALA 10 HN ALA 10 -8.780 -7.241 -14.668 85 HA ALA 10 HA ALA 10 -6.093 -7.937 -14.087 86 1HB ALA 10 HB1 ALA 10 -7.898 -5.702 -13.209 87 2HB ALA 10 HB2 ALA 10 -6.518 -5.641 -14.305 88 3HB ALA 10 HB3 ALA 10 -6.261 -5.868 -12.576 89 H PHE 11 HN PHE 11 -9.099 -7.970 -12.230 90 HA PHE 11 HA PHE 11 -8.056 -8.509 -9.689 91 1HB PHE 11 HB2 PHE 11 -10.425 -7.897 -10.171 92 2HB PHE 11 HB1 PHE 11 -10.684 -9.500 -10.843 93 HD1 PHE 11 HD1 PHE 11 -8.988 -8.266 -7.759 94 HD2 PHE 11 HD2 PHE 11 -12.020 -10.729 -9.446 95 HE1 PHE 11 HE1 PHE 11 -9.541 -9.112 -5.518 96 HE2 PHE 11 HE2 PHE 11 -12.580 -11.579 -7.205 97 HZ PHE 11 HZ PHE 11 -11.340 -10.769 -5.238 98 H GLN 12 HN GLN 12 -9.061 -10.736 -12.262 99 HA GLN 12 HA GLN 12 -8.465 -13.110 -10.836 100 1HB GLN 12 HB2 GLN 12 -8.371 -12.736 -13.839 101 2HB GLN 12 HB1 GLN 12 -8.583 -14.249 -12.971 102 1HG GLN 12 HG2 GLN 12 -10.543 -11.984 -12.762 103 2HG GLN 12 HG1 GLN 12 -10.648 -13.223 -14.014 104 1HE2 GLN 12 HE21 GLN 12 -10.278 -12.932 -10.506 105 2HE2 GLN 12 HE22 GLN 12 -11.328 -14.245 -10.102 106 H GLU 13 HN GLU 13 -6.587 -10.990 -12.917 107 HA GLU 13 HA GLU 13 -4.280 -12.529 -13.190 108 1HB GLU 13 HB2 GLU 13 -4.988 -9.674 -13.460 109 2HB GLU 13 HB1 GLU 13 -3.283 -10.008 -13.188 110 1HG GLU 13 HG2 GLU 13 -3.340 -11.572 -15.107 111 2HG GLU 13 HG1 GLU 13 -5.000 -11.065 -15.417 112 H ALA 14 HN ALA 14 -5.040 -10.029 -10.751 113 HA ALA 14 HA ALA 14 -2.612 -10.278 -9.340 114 1HB ALA 14 HB1 ALA 14 -5.296 -9.129 -8.673 115 2HB ALA 14 HB2 ALA 14 -3.761 -8.300 -8.938 116 3HB ALA 14 HB3 ALA 14 -4.022 -9.219 -7.455 117 H LEU 15 HN LEU 15 -5.656 -11.991 -9.152 118 HA LEU 15 HA LEU 15 -5.213 -13.248 -6.651 119 1HB LEU 15 HB2 LEU 15 -7.029 -13.713 -8.981 120 2HB LEU 15 HB1 LEU 15 -6.906 -14.944 -7.741 121 HG LEU 15 HG LEU 15 -7.736 -12.081 -7.269 122 1HD1 LEU 15 HD11 LEU 15 -9.490 -14.496 -7.027 123 2HD1 LEU 15 HD12 LEU 15 -9.298 -13.659 -8.567 124 3HD1 LEU 15 HD13 LEU 15 -9.947 -12.799 -7.170 125 1HD2 LEU 15 HD21 LEU 15 -6.602 -13.766 -5.460 126 2HD2 LEU 15 HD22 LEU 15 -8.312 -14.138 -5.262 127 3HD2 LEU 15 HD23 LEU 15 -7.742 -12.482 -5.061 128 H ASP 16 HN ASP 16 -4.557 -14.210 -10.003 129 HA ASP 16 HA ASP 16 -3.663 -16.819 -9.472 130 1HB ASP 16 HB2 ASP 16 -4.079 -15.423 -11.741 131 2HB ASP 16 HB1 ASP 16 -2.322 -15.320 -11.659 132 H ALA 17 HN ALA 17 -2.112 -13.702 -9.212 133 HA ALA 17 HA ALA 17 0.543 -14.743 -8.870 134 1HB ALA 17 HB1 ALA 17 -0.093 -12.414 -9.709 135 2HB ALA 17 HB2 ALA 17 1.224 -12.518 -8.540 136 3HB ALA 17 HB3 ALA 17 -0.383 -12.013 -8.015 137 H ALA 18 HN ALA 18 -2.218 -14.253 -6.877 138 HA ALA 18 HA ALA 18 -0.906 -14.020 -4.354 139 1HB ALA 18 HB1 ALA 18 -3.102 -13.249 -4.364 140 2HB ALA 18 HB2 ALA 18 -3.200 -14.782 -3.500 141 3HB ALA 18 HB3 ALA 18 -3.707 -14.687 -5.184 142 H GLY 19 HN GLY 19 -1.809 -16.756 -6.410 143 1HA GLY 19 HA2 GLY 19 -1.408 -18.971 -6.166 144 2HA GLY 19 HA1 GLY 19 -0.084 -18.503 -5.113 145 H ASP 20 HN ASP 20 -0.145 -19.595 -3.336 146 HA ASP 20 HA ASP 20 -2.680 -20.496 -2.236 147 1HB ASP 20 HB2 ASP 20 -1.182 -21.791 -0.688 148 2HB ASP 20 HB1 ASP 20 -0.991 -22.172 -2.395 149 H LYS 21 HN LYS 21 -1.199 -17.681 -2.051 150 HA LYS 21 HA LYS 21 -1.024 -17.312 0.783 151 1HB LYS 21 HB2 LYS 21 -1.007 -15.246 -1.417 152 2HB LYS 21 HB1 LYS 21 -0.477 -15.019 0.246 153 1HG LYS 21 HG2 LYS 21 1.312 -16.662 -0.116 154 2HG LYS 21 HG1 LYS 21 0.799 -16.828 -1.796 155 1HD LYS 21 HD2 LYS 21 1.517 -14.691 -2.357 156 2HD LYS 21 HD1 LYS 21 1.494 -14.137 -0.680 157 1HE LYS 21 HE2 LYS 21 3.559 -14.949 -0.247 158 2HE LYS 21 HE1 LYS 21 3.327 -16.370 -1.266 159 1HZ LYS 21 HZ1 LYS 21 3.586 -14.848 -3.209 160 2HZ LYS 21 HZ2 LYS 21 4.982 -15.039 -2.273 161 3HZ LYS 21 HZ3 LYS 21 4.056 -13.630 -2.131 162 H LEU 22 HN LEU 22 -2.394 -15.847 1.982 163 HA LEU 22 HA LEU 22 -5.162 -16.132 1.260 164 1HB LEU 22 HB2 LEU 22 -4.405 -16.353 3.581 165 2HB LEU 22 HB1 LEU 22 -3.825 -14.704 3.566 166 HG LEU 22 HG LEU 22 -5.873 -13.834 3.980 167 1HD1 LEU 22 HD11 LEU 22 -6.871 -15.924 2.115 168 2HD1 LEU 22 HD12 LEU 22 -7.106 -14.176 2.086 169 3HD1 LEU 22 HD13 LEU 22 -8.003 -15.168 3.234 170 1HD2 LEU 22 HD21 LEU 22 -5.940 -15.077 5.865 171 2HD2 LEU 22 HD22 LEU 22 -5.796 -16.603 4.995 172 3HD2 LEU 22 HD23 LEU 22 -7.350 -15.778 5.073 173 H VAL 23 HN VAL 23 -6.354 -14.674 0.166 174 HA VAL 23 HA VAL 23 -5.192 -12.001 -0.242 175 HB VAL 23 HB VAL 23 -7.279 -13.244 -1.992 176 1HG1 VAL 23 HG11 VAL 23 -5.930 -10.719 -1.903 177 2HG1 VAL 23 HG12 VAL 23 -7.265 -11.241 -2.930 178 3HG1 VAL 23 HG13 VAL 23 -5.600 -11.541 -3.428 179 1HG2 VAL 23 HG21 VAL 23 -4.379 -13.754 -1.904 180 2HG2 VAL 23 HG22 VAL 23 -5.096 -13.494 -3.495 181 3HG2 VAL 23 HG23 VAL 23 -5.698 -14.786 -2.457 182 H VAL 24 HN VAL 24 -6.046 -10.584 1.054 183 HA VAL 24 HA VAL 24 -8.942 -10.670 1.551 184 HB VAL 24 HB VAL 24 -7.596 -10.636 3.608 185 1HG1 VAL 24 HG11 VAL 24 -5.820 -9.342 3.944 186 2HG1 VAL 24 HG12 VAL 24 -6.632 -7.902 3.333 187 3HG1 VAL 24 HG13 VAL 24 -5.872 -9.030 2.210 188 1HG2 VAL 24 HG21 VAL 24 -9.551 -8.629 2.876 189 2HG2 VAL 24 HG22 VAL 24 -8.482 -8.060 4.158 190 3HG2 VAL 24 HG23 VAL 24 -9.390 -9.555 4.368 191 H VAL 25 HN VAL 25 -10.058 -9.366 0.306 192 HA VAL 25 HA VAL 25 -8.761 -6.895 -0.600 193 HB VAL 25 HB VAL 25 -10.185 -7.149 -2.697 194 1HG1 VAL 25 HG11 VAL 25 -7.682 -7.626 -2.371 195 2HG1 VAL 25 HG12 VAL 25 -8.478 -8.321 -3.784 196 3HG1 VAL 25 HG13 VAL 25 -8.146 -9.329 -2.378 197 1HG2 VAL 25 HG21 VAL 25 -10.497 -9.863 -1.467 198 2HG2 VAL 25 HG22 VAL 25 -10.542 -9.635 -3.214 199 3HG2 VAL 25 HG23 VAL 25 -11.726 -8.824 -2.190 200 H ASP 26 HN ASP 26 -9.843 -5.083 -0.498 201 HA ASP 26 HA ASP 26 -12.456 -5.160 0.846 202 1HB ASP 26 HB2 ASP 26 -10.459 -3.875 1.811 203 2HB ASP 26 HB1 ASP 26 -10.748 -2.700 0.532 204 H PHE 27 HN PHE 27 -14.264 -4.502 -0.089 205 HA PHE 27 HA PHE 27 -14.094 -3.392 -2.801 206 1HB PHE 27 HB2 PHE 27 -16.111 -5.016 -1.324 207 2HB PHE 27 HB1 PHE 27 -16.712 -3.879 -2.534 208 HD1 PHE 27 HD1 PHE 27 -14.639 -6.874 -1.994 209 HD2 PHE 27 HD2 PHE 27 -16.316 -4.209 -4.860 210 HE1 PHE 27 HE1 PHE 27 -14.007 -8.419 -3.800 211 HE2 PHE 27 HE2 PHE 27 -15.699 -5.761 -6.665 212 HZ PHE 27 HZ PHE 27 -14.540 -7.867 -6.137 213 H SER 28 HN SER 28 -14.020 -1.223 -2.767 214 HA SER 28 HA SER 28 -15.795 0.201 -0.893 215 1HB SER 28 HB2 SER 28 -14.080 2.071 -1.065 216 2HB SER 28 HB1 SER 28 -13.551 0.615 -0.227 217 HG SER 28 HG SER 28 -12.027 1.450 -1.782 218 H ALA 29 HN ALA 29 -15.507 2.733 -1.839 219 HA ALA 29 HA ALA 29 -16.187 2.824 -4.654 220 1HB ALA 29 HB1 ALA 29 -18.393 3.351 -4.506 221 2HB ALA 29 HB2 ALA 29 -18.216 4.126 -2.931 222 3HB ALA 29 HB3 ALA 29 -18.279 2.368 -3.045 223 H THR 30 HN THR 30 -16.222 5.018 -5.487 224 HA THR 30 HA THR 30 -14.346 6.733 -4.179 225 HB THR 30 HB THR 30 -16.136 7.730 -6.362 226 HG1 THR 30 HG1 THR 30 -15.069 6.535 -7.880 227 1HG2 THR 30 HG21 THR 30 -13.820 8.687 -5.254 228 2HG2 THR 30 HG22 THR 30 -14.490 9.150 -6.819 229 3HG2 THR 30 HG23 THR 30 -13.259 7.890 -6.723 230 H TRP 31 HN TRP 31 -17.794 6.636 -4.615 231 HA TRP 31 HA TRP 31 -18.294 9.139 -3.243 232 1HB TRP 31 HB2 TRP 31 -20.658 8.630 -3.674 233 2HB TRP 31 HB1 TRP 31 -19.702 8.414 -5.141 234 HD1 TRP 31 HD1 TRP 31 -19.129 5.784 -5.811 235 HE1 TRP 31 HE1 TRP 31 -20.516 3.641 -5.389 236 HE3 TRP 31 HE3 TRP 31 -22.290 7.534 -2.189 237 HZ2 TRP 31 HZ2 TRP 31 -22.663 2.828 -3.789 238 HZ3 TRP 31 HZ3 TRP 31 -23.982 6.002 -1.266 239 HH2 TRP 31 HH2 TRP 31 -24.156 3.697 -2.052 240 H CYS 32 HN CYS 32 -17.172 6.489 -1.944 241 HA CYS 32 HA CYS 32 -19.134 6.290 0.222 242 1HB CYS 32 HB2 CYS 32 -18.397 4.176 -0.885 243 2HB CYS 32 HB1 CYS 32 -16.761 4.493 -0.317 244 H GLY 33 HN GLY 33 -18.584 6.642 2.357 245 1HA GLY 33 HA2 GLY 33 -16.165 8.264 2.724 246 2HA GLY 33 HA1 GLY 33 -17.562 8.243 3.792 247 HA PRO 34 HA PRO 34 -15.880 5.343 6.647 248 1HB PRO 34 HB2 PRO 34 -17.765 3.234 5.699 249 2HB PRO 34 HB1 PRO 34 -17.450 3.806 7.342 250 1HG PRO 34 HG2 PRO 34 -19.661 4.537 6.053 251 2HG PRO 34 HG1 PRO 34 -18.787 5.683 7.087 252 1HD PRO 34 HD2 PRO 34 -18.887 5.507 4.112 253 2HD PRO 34 HD1 PRO 34 -18.766 6.936 5.158 254 H CYS 35 HN CYS 35 -16.413 4.172 3.389 255 HA CYS 35 HA CYS 35 -14.850 1.857 3.439 256 1HB CYS 35 HB2 CYS 35 -15.310 3.786 1.154 257 2HB CYS 35 HB1 CYS 35 -14.664 2.156 0.989 258 H LYS 36 HN LYS 36 -13.969 5.212 2.754 259 HA LYS 36 HA LYS 36 -11.248 4.680 2.154 260 1HB LYS 36 HB2 LYS 36 -12.824 7.142 2.810 261 2HB LYS 36 HB1 LYS 36 -11.067 7.219 2.755 262 1HG LYS 36 HG2 LYS 36 -10.995 7.059 0.515 263 2HG LYS 36 HG1 LYS 36 -12.341 5.920 0.447 264 1HD LYS 36 HD2 LYS 36 -13.443 7.682 -0.431 265 2HD LYS 36 HD1 LYS 36 -13.632 8.144 1.262 266 1HE LYS 36 HE2 LYS 36 -11.878 9.698 1.146 267 2HE LYS 36 HE1 LYS 36 -11.263 9.018 -0.360 268 1HZ LYS 36 HZ1 LYS 36 -12.346 10.836 -1.152 269 2HZ LYS 36 HZ2 LYS 36 -13.509 10.842 0.076 270 3HZ LYS 36 HZ3 LYS 36 -13.631 9.735 -1.197 271 H MET 37 HN MET 37 -13.001 5.096 5.125 272 HA MET 37 HA MET 37 -10.824 5.840 6.768 273 1HB MET 37 HB2 MET 37 -13.384 4.418 7.518 274 2HB MET 37 HB1 MET 37 -12.283 5.211 8.636 275 1HG MET 37 HG2 MET 37 -12.733 7.357 7.536 276 2HG MET 37 HG1 MET 37 -13.869 6.549 6.456 277 1HE MET 37 HE1 MET 37 -14.000 9.027 8.738 278 2HE MET 37 HE2 MET 37 -13.292 8.059 10.030 279 3HE MET 37 HE3 MET 37 -14.963 8.607 10.155 280 H ILE 38 HN ILE 38 -11.773 2.809 5.399 281 HA ILE 38 HA ILE 38 -10.324 1.228 7.358 282 HB ILE 38 HB ILE 38 -11.529 0.364 4.730 283 1HG1 ILE 38 HG12 ILE 38 -12.984 1.398 6.728 284 2HG1 ILE 38 HG11 ILE 38 -13.565 0.086 5.716 285 1HG2 ILE 38 HG21 ILE 38 -10.627 -1.230 7.122 286 2HG2 ILE 38 HG22 ILE 38 -9.856 -1.178 5.536 287 3HG2 ILE 38 HG23 ILE 38 -11.461 -1.886 5.713 288 1HD1 ILE 38 HD11 ILE 38 -12.526 -1.431 7.560 289 2HD1 ILE 38 HD12 ILE 38 -14.083 -0.654 7.821 290 3HD1 ILE 38 HD13 ILE 38 -12.628 0.029 8.544 291 H LYS 39 HN LYS 39 -9.718 2.812 4.357 292 HA LYS 39 HA LYS 39 -7.748 1.273 3.192 293 1HB LYS 39 HB2 LYS 39 -8.780 3.843 2.833 294 2HB LYS 39 HB1 LYS 39 -7.057 4.087 3.084 295 1HG LYS 39 HG2 LYS 39 -6.495 2.734 1.235 296 2HG LYS 39 HG1 LYS 39 -8.137 2.102 1.106 297 1HD LYS 39 HD2 LYS 39 -8.965 4.110 0.239 298 2HD LYS 39 HD1 LYS 39 -7.568 5.032 0.797 299 1HE LYS 39 HE2 LYS 39 -6.203 4.229 -0.906 300 2HE LYS 39 HE1 LYS 39 -7.242 2.840 -1.214 301 1HZ LYS 39 HZ1 LYS 39 -8.296 5.541 -1.676 302 2HZ LYS 39 HZ2 LYS 39 -8.700 4.086 -2.438 303 3HZ LYS 39 HZ3 LYS 39 -7.248 4.865 -2.820 304 HA PRO 40 HA PRO 40 -4.498 3.830 5.947 305 1HB PRO 40 HB2 PRO 40 -6.308 3.971 8.317 306 2HB PRO 40 HB1 PRO 40 -5.054 5.100 7.790 307 1HG PRO 40 HG2 PRO 40 -7.626 5.655 7.396 308 2HG PRO 40 HG1 PRO 40 -6.412 6.054 6.166 309 1HD PRO 40 HD2 PRO 40 -8.421 3.855 6.205 310 2HD PRO 40 HD1 PRO 40 -7.781 4.779 4.831 311 H PHE 41 HN PHE 41 -6.885 1.807 7.686 312 HA PHE 41 HA PHE 41 -4.842 0.367 9.092 313 1HB PHE 41 HB2 PHE 41 -7.731 -0.444 8.786 314 2HB PHE 41 HB1 PHE 41 -6.621 -0.871 10.083 315 HD1 PHE 41 HD1 PHE 41 -5.510 1.457 11.114 316 HD2 PHE 41 HD2 PHE 41 -9.392 0.962 9.447 317 HE1 PHE 41 HE1 PHE 41 -6.316 3.376 12.428 318 HE2 PHE 41 HE2 PHE 41 -10.204 2.878 10.753 319 HZ PHE 41 HZ PHE 41 -8.666 4.089 12.247 320 H PHE 42 HN PHE 42 -6.731 -0.193 6.166 321 HA PHE 42 HA PHE 42 -6.149 -2.956 5.948 322 1HB PHE 42 HB2 PHE 42 -7.894 -1.451 4.674 323 2HB PHE 42 HB1 PHE 42 -6.575 -1.252 3.526 324 HD1 PHE 42 HD1 PHE 42 -8.625 -3.820 5.250 325 HD2 PHE 42 HD2 PHE 42 -6.153 -2.886 1.909 326 HE1 PHE 42 HE1 PHE 42 -9.238 -5.960 4.201 327 HE2 PHE 42 HE2 PHE 42 -6.764 -5.025 0.856 328 HZ PHE 42 HZ PHE 42 -8.308 -6.564 2.001 329 H HIS 43 HN HIS 43 -4.670 -0.065 4.512 330 HA HIS 43 HA HIS 43 -2.677 -1.518 3.121 331 1HB HIS 43 HB2 HIS 43 -3.514 1.098 3.105 332 2HB HIS 43 HB1 HIS 43 -1.919 1.214 3.844 333 HD1 HIS 43 HD1 HIS 43 -3.190 1.726 0.700 334 HD2 HIS 43 HD2 HIS 43 -0.201 -0.797 2.097 335 HE1 HIS 43 HE1 HIS 43 -1.751 1.150 -1.302 336 H SER 44 HN SER 44 -2.746 -0.029 6.344 337 HA SER 44 HA SER 44 -0.017 -0.284 6.914 338 1HB SER 44 HB2 SER 44 -1.639 1.047 8.258 339 2HB SER 44 HB1 SER 44 -2.333 -0.459 8.860 340 HG SER 44 HG SER 44 -0.665 0.601 10.197 341 H LEU 45 HN LEU 45 -2.730 -2.507 7.487 342 HA LEU 45 HA LEU 45 -1.304 -4.496 8.846 343 1HB LEU 45 HB2 LEU 45 -3.731 -4.678 7.061 344 2HB LEU 45 HB1 LEU 45 -3.116 -6.034 7.992 345 HG LEU 45 HG LEU 45 -3.776 -3.492 9.415 346 1HD1 LEU 45 HD11 LEU 45 -6.031 -3.768 9.370 347 2HD1 LEU 45 HD12 LEU 45 -5.926 -5.511 9.114 348 3HD1 LEU 45 HD13 LEU 45 -5.653 -4.402 7.769 349 1HD2 LEU 45 HD21 LEU 45 -3.681 -6.420 10.064 350 2HD2 LEU 45 HD22 LEU 45 -4.515 -5.267 11.107 351 3HD2 LEU 45 HD23 LEU 45 -2.786 -5.091 10.803 352 H SER 46 HN SER 46 -1.772 -3.913 5.412 353 HA SER 46 HA SER 46 -0.728 -6.253 4.349 354 1HB SER 46 HB2 SER 46 -0.619 -5.134 2.311 355 2HB SER 46 HB1 SER 46 -1.806 -4.163 3.184 356 HG SER 46 HG SER 46 0.847 -3.574 2.523 357 H GLU 47 HN GLU 47 0.851 -3.590 5.925 358 HA GLU 47 HA GLU 47 3.500 -4.356 5.017 359 1HB GLU 47 HB2 GLU 47 2.325 -2.127 6.597 360 2HB GLU 47 HB1 GLU 47 3.990 -2.560 6.952 361 1HG GLU 47 HG2 GLU 47 4.300 -2.406 4.380 362 2HG GLU 47 HG1 GLU 47 2.816 -1.456 4.447 363 H LYS 48 HN LYS 48 1.327 -4.940 7.620 364 HA LYS 48 HA LYS 48 3.424 -6.098 9.300 365 1HB LYS 48 HB2 LYS 48 1.647 -4.509 10.216 366 2HB LYS 48 HB1 LYS 48 0.503 -5.825 9.995 367 1HG LYS 48 HG2 LYS 48 2.321 -7.149 11.391 368 2HG LYS 48 HG1 LYS 48 2.700 -5.523 11.963 369 1HD LYS 48 HD2 LYS 48 1.045 -5.823 13.437 370 2HD LYS 48 HD1 LYS 48 -0.048 -5.595 12.073 371 1HE LYS 48 HE2 LYS 48 -0.838 -7.602 12.742 372 2HE LYS 48 HE1 LYS 48 0.504 -8.201 11.770 373 1HZ LYS 48 HZ1 LYS 48 0.619 -9.307 13.828 374 2HZ LYS 48 HZ2 LYS 48 0.395 -7.883 14.713 375 3HZ LYS 48 HZ3 LYS 48 1.844 -8.141 13.879 376 H TYR 49 HN TYR 49 1.921 -7.170 6.733 377 HA TYR 49 HA TYR 49 1.599 -9.888 7.816 378 1HB TYR 49 HB2 TYR 49 -0.299 -8.327 6.126 379 2HB TYR 49 HB1 TYR 49 -0.123 -10.048 5.809 380 HD1 TYR 49 HD1 TYR 49 -1.141 -11.653 7.192 381 HD2 TYR 49 HD2 TYR 49 -1.025 -7.584 8.433 382 HE1 TYR 49 HE1 TYR 49 -2.688 -12.179 9.026 383 HE2 TYR 49 HE2 TYR 49 -2.573 -8.097 10.276 384 HH TYR 49 HH TYR 49 -3.095 -10.806 11.543 385 H SER 50 HN SER 50 3.614 -10.519 7.087 386 HA SER 50 HA SER 50 4.362 -10.093 4.313 387 1HB SER 50 HB2 SER 50 6.034 -11.888 5.942 388 2HB SER 50 HB1 SER 50 6.489 -10.475 4.991 389 HG SER 50 HG SER 50 6.628 -10.408 7.421 390 H ASN 51 HN ASN 51 2.083 -11.593 4.308 391 HA ASN 51 HA ASN 51 3.018 -14.002 3.057 392 1HB ASN 51 HB2 ASN 51 2.533 -14.331 5.683 393 2HB ASN 51 HB1 ASN 51 0.915 -14.613 5.044 394 1HD2 ASN 51 HD21 ASN 51 1.016 -16.793 5.658 395 2HD2 ASN 51 HD22 ASN 51 1.954 -17.941 4.763 396 H VAL 52 HN VAL 52 0.290 -12.035 4.094 397 HA VAL 52 HA VAL 52 -1.446 -13.190 2.058 398 HB VAL 52 HB VAL 52 -3.211 -11.865 3.039 399 1HG1 VAL 52 HG11 VAL 52 -3.418 -12.999 5.027 400 2HG1 VAL 52 HG12 VAL 52 -1.720 -12.780 5.454 401 3HG1 VAL 52 HG13 VAL 52 -2.175 -13.956 4.221 402 1HG2 VAL 52 HG21 VAL 52 -2.480 -10.489 5.154 403 2HG2 VAL 52 HG22 VAL 52 -2.368 -9.791 3.535 404 3HG2 VAL 52 HG23 VAL 52 -0.930 -10.439 4.311 405 H ILE 53 HN ILE 53 -2.442 -11.978 0.412 406 HA ILE 53 HA ILE 53 -0.901 -9.633 -0.443 407 HB ILE 53 HB ILE 53 -1.515 -11.820 -1.880 408 1HG1 ILE 53 HG12 ILE 53 -1.184 -10.423 -3.921 409 2HG1 ILE 53 HG11 ILE 53 -1.362 -8.983 -2.911 410 1HG2 ILE 53 HG21 ILE 53 -3.723 -9.924 -2.650 411 2HG2 ILE 53 HG22 ILE 53 -3.957 -11.386 -1.694 412 3HG2 ILE 53 HG23 ILE 53 -3.365 -11.502 -3.352 413 1HD1 ILE 53 HD11 ILE 53 0.572 -10.656 -1.706 414 2HD1 ILE 53 HD12 ILE 53 0.787 -9.063 -2.432 415 3HD1 ILE 53 HD13 ILE 53 0.962 -10.514 -3.420 416 H PHE 54 HN PHE 54 -1.715 -7.698 -0.146 417 HA PHE 54 HA PHE 54 -4.593 -7.398 0.388 418 1HB PHE 54 HB2 PHE 54 -2.155 -5.829 1.116 419 2HB PHE 54 HB1 PHE 54 -3.682 -4.995 0.970 420 HD1 PHE 54 HD1 PHE 54 -3.138 -8.423 2.303 421 HD2 PHE 54 HD2 PHE 54 -4.127 -4.368 3.126 422 HE1 PHE 54 HE1 PHE 54 -3.783 -9.040 4.598 423 HE2 PHE 54 HE2 PHE 54 -4.764 -4.983 5.419 424 HZ PHE 54 HZ PHE 54 -4.589 -7.322 6.156 425 H LEU 55 HN LEU 55 -5.796 -6.723 -1.313 426 HA LEU 55 HA LEU 55 -4.584 -4.697 -3.017 427 1HB LEU 55 HB2 LEU 55 -4.855 -5.722 -4.940 428 2HB LEU 55 HB1 LEU 55 -4.810 -7.186 -3.976 429 HG LEU 55 HG LEU 55 -7.470 -6.638 -3.988 430 1HD1 LEU 55 HD11 LEU 55 -6.219 -5.402 -6.374 431 2HD1 LEU 55 HD12 LEU 55 -7.586 -4.855 -5.413 432 3HD1 LEU 55 HD13 LEU 55 -7.781 -6.194 -6.541 433 1HD2 LEU 55 HD21 LEU 55 -5.763 -8.230 -5.880 434 2HD2 LEU 55 HD22 LEU 55 -7.525 -8.271 -5.939 435 3HD2 LEU 55 HD23 LEU 55 -6.679 -8.801 -4.485 436 H GLU 56 HN GLU 56 -6.133 -3.475 -4.270 437 HA GLU 56 HA GLU 56 -8.600 -3.114 -2.718 438 1HB GLU 56 HB2 GLU 56 -6.537 -1.445 -2.884 439 2HB GLU 56 HB1 GLU 56 -7.415 -0.932 -4.315 440 1HG GLU 56 HG2 GLU 56 -8.823 0.256 -3.089 441 2HG GLU 56 HG1 GLU 56 -9.229 -1.152 -2.113 442 H VAL 57 HN VAL 57 -10.418 -3.466 -3.774 443 HA VAL 57 HA VAL 57 -10.422 -3.091 -6.697 444 HB VAL 57 HB VAL 57 -12.510 -4.752 -5.351 445 1HG1 VAL 57 HG11 VAL 57 -12.251 -5.940 -7.587 446 2HG1 VAL 57 HG12 VAL 57 -11.228 -4.582 -8.056 447 3HG1 VAL 57 HG13 VAL 57 -12.912 -4.306 -7.614 448 1HG2 VAL 57 HG21 VAL 57 -11.206 -6.752 -5.492 449 2HG2 VAL 57 HG22 VAL 57 -10.284 -5.584 -4.544 450 3HG2 VAL 57 HG23 VAL 57 -9.856 -5.887 -6.229 451 H ASP 58 HN ASP 58 -11.516 -1.375 -7.336 452 HA ASP 58 HA ASP 58 -13.519 -0.207 -5.566 453 1HB ASP 58 HB2 ASP 58 -11.852 1.299 -6.516 454 2HB ASP 58 HB1 ASP 58 -12.284 0.784 -8.145 455 H VAL 59 HN VAL 59 -15.572 -0.809 -5.798 456 HA VAL 59 HA VAL 59 -16.495 -2.444 -7.845 457 HB VAL 59 HB VAL 59 -17.559 -2.143 -5.586 458 1HG1 VAL 59 HG11 VAL 59 -17.603 0.371 -5.746 459 2HG1 VAL 59 HG12 VAL 59 -19.092 -0.387 -5.179 460 3HG1 VAL 59 HG13 VAL 59 -18.976 0.195 -6.839 461 1HG2 VAL 59 HG21 VAL 59 -19.725 -1.788 -7.580 462 2HG2 VAL 59 HG22 VAL 59 -19.529 -3.009 -6.321 463 3HG2 VAL 59 HG23 VAL 59 -18.599 -3.125 -7.816 464 H ASP 60 HN ASP 60 -16.087 0.959 -7.796 465 HA ASP 60 HA ASP 60 -17.999 1.698 -9.723 466 1HB ASP 60 HB2 ASP 60 -15.998 2.979 -8.225 467 2HB ASP 60 HB1 ASP 60 -15.569 3.265 -9.910 468 H ASP 61 HN ASP 61 -14.678 0.560 -9.946 469 HA ASP 61 HA ASP 61 -14.796 0.628 -12.874 470 1HB ASP 61 HB2 ASP 61 -12.431 -0.141 -11.160 471 2HB ASP 61 HB1 ASP 61 -12.424 0.296 -12.866 472 H ALA 62 HN ALA 62 -14.325 -1.652 -10.207 473 HA ALA 62 HA ALA 62 -14.268 -3.899 -12.038 474 1HB ALA 62 HB1 ALA 62 -13.514 -5.182 -10.287 475 2HB ALA 62 HB2 ALA 62 -14.452 -4.293 -9.089 476 3HB ALA 62 HB3 ALA 62 -12.975 -3.590 -9.751 477 H GLN 63 HN GLN 63 -16.548 -2.653 -12.501 478 HA GLN 63 HA GLN 63 -18.732 -3.457 -10.872 479 1HB GLN 63 HB2 GLN 63 -18.301 -1.803 -13.145 480 2HB GLN 63 HB1 GLN 63 -19.573 -2.946 -13.558 481 1HG GLN 63 HG2 GLN 63 -20.270 -2.097 -11.039 482 2HG GLN 63 HG1 GLN 63 -19.603 -0.645 -11.798 483 1HE2 GLN 63 HE21 GLN 63 -22.274 -2.662 -11.504 484 2HE2 GLN 63 HE22 GLN 63 -23.260 -1.968 -12.758 485 H ASP 64 HN ASP 64 -16.801 -5.161 -13.076 486 HA ASP 64 HA ASP 64 -18.923 -6.983 -13.881 487 1HB ASP 64 HB2 ASP 64 -16.085 -6.534 -14.680 488 2HB ASP 64 HB1 ASP 64 -16.787 -8.123 -14.959 489 H VAL 65 HN VAL 65 -16.387 -6.785 -11.523 490 HA VAL 65 HA VAL 65 -16.288 -9.632 -11.064 491 HB VAL 65 HB VAL 65 -14.701 -9.197 -9.324 492 1HG1 VAL 65 HG11 VAL 65 -14.365 -7.431 -11.729 493 2HG1 VAL 65 HG12 VAL 65 -13.749 -9.065 -11.481 494 3HG1 VAL 65 HG13 VAL 65 -13.079 -7.720 -10.557 495 1HG2 VAL 65 HG21 VAL 65 -14.095 -6.784 -8.804 496 2HG2 VAL 65 HG22 VAL 65 -15.583 -7.410 -8.092 497 3HG2 VAL 65 HG23 VAL 65 -15.653 -6.363 -9.506 498 H ALA 66 HN ALA 66 -17.506 -6.828 -9.156 499 HA ALA 66 HA ALA 66 -18.407 -8.108 -6.937 500 1HB ALA 66 HB1 ALA 66 -18.854 -5.958 -6.588 501 2HB ALA 66 HB2 ALA 66 -20.384 -6.239 -7.421 502 3HB ALA 66 HB3 ALA 66 -18.991 -5.631 -8.316 503 HA PRO 67 HA PRO 67 -22.850 -8.718 -9.017 504 1HB PRO 67 HB2 PRO 67 -21.816 -9.056 -11.798 505 2HB PRO 67 HB1 PRO 67 -23.352 -8.378 -11.242 506 1HG PRO 67 HG2 PRO 67 -21.408 -6.770 -12.057 507 2HG PRO 67 HG1 PRO 67 -22.384 -6.343 -10.644 508 1HD PRO 67 HD2 PRO 67 -19.603 -7.410 -10.788 509 2HD PRO 67 HD1 PRO 67 -20.303 -6.222 -9.671 510 H LYS 68 HN LYS 68 -19.865 -10.224 -10.027 511 HA LYS 68 HA LYS 68 -21.057 -12.809 -10.482 512 1HB LYS 68 HB2 LYS 68 -18.298 -11.698 -10.571 513 2HB LYS 68 HB1 LYS 68 -18.483 -13.435 -10.353 514 1HG LYS 68 HG2 LYS 68 -19.566 -13.696 -12.409 515 2HG LYS 68 HG1 LYS 68 -19.898 -11.970 -12.549 516 1HD LYS 68 HD2 LYS 68 -17.779 -11.479 -13.254 517 2HD LYS 68 HD1 LYS 68 -17.061 -12.847 -12.399 518 1HE LYS 68 HE2 LYS 68 -18.902 -13.283 -14.722 519 2HE LYS 68 HE1 LYS 68 -17.198 -12.912 -14.982 520 1HZ LYS 68 HZ1 LYS 68 -17.911 -15.059 -13.113 521 2HZ LYS 68 HZ2 LYS 68 -16.534 -14.890 -14.081 522 3HZ LYS 68 HZ3 LYS 68 -18.002 -15.366 -14.774 523 H TYR 69 HN TYR 69 -19.923 -11.065 -7.730 524 HA TYR 69 HA TYR 69 -19.754 -13.537 -6.136 525 1HB TYR 69 HB2 TYR 69 -18.737 -10.730 -5.648 526 2HB TYR 69 HB1 TYR 69 -18.744 -11.985 -4.418 527 HD1 TYR 69 HD1 TYR 69 -17.555 -14.236 -5.133 528 HD2 TYR 69 HD2 TYR 69 -16.853 -10.448 -6.933 529 HE1 TYR 69 HE1 TYR 69 -15.387 -15.043 -5.968 530 HE2 TYR 69 HE2 TYR 69 -14.685 -11.239 -7.773 531 HH TYR 69 HH TYR 69 -13.794 -13.953 -8.299 532 H GLY 70 HN GLY 70 -21.777 -11.032 -6.966 533 1HA GLY 70 HA2 GLY 70 -23.843 -10.387 -6.215 534 2HA GLY 70 HA1 GLY 70 -23.790 -11.765 -5.130 535 H ILE 71 HN ILE 71 -21.539 -8.992 -5.182 536 HA ILE 71 HA ILE 71 -21.983 -8.586 -2.362 537 HB ILE 71 HB ILE 71 -20.341 -6.947 -4.308 538 1HG1 ILE 71 HG12 ILE 71 -19.332 -8.989 -2.329 539 2HG1 ILE 71 HG11 ILE 71 -19.699 -9.396 -4.005 540 1HG2 ILE 71 HG21 ILE 71 -19.451 -5.789 -2.525 541 2HG2 ILE 71 HG22 ILE 71 -19.876 -7.043 -1.361 542 3HG2 ILE 71 HG23 ILE 71 -21.127 -5.986 -2.012 543 1HD1 ILE 71 HD11 ILE 71 -17.433 -7.911 -2.864 544 2HD1 ILE 71 HD12 ILE 71 -18.086 -7.278 -4.376 545 3HD1 ILE 71 HD13 ILE 71 -17.519 -8.945 -4.291 546 H ARG 72 HN ARG 72 -23.297 -7.077 -1.457 547 HA ARG 72 HA ARG 72 -24.307 -4.895 -3.121 548 1HB ARG 72 HB2 ARG 72 -25.925 -6.787 -3.291 549 2HB ARG 72 HB1 ARG 72 -26.147 -6.702 -1.549 550 1HG ARG 72 HG2 ARG 72 -27.035 -4.459 -1.737 551 2HG ARG 72 HG1 ARG 72 -26.740 -4.468 -3.476 552 1HD ARG 72 HD2 ARG 72 -28.297 -6.361 -3.705 553 2HD ARG 72 HD1 ARG 72 -28.618 -6.287 -1.973 554 HE ARG 72 HE ARG 72 -29.092 -3.800 -3.320 555 1HH1 ARG 72 HH11 ARG 72 -30.475 -6.896 -2.495 556 2HH1 ARG 72 HH12 ARG 72 -32.110 -6.332 -2.600 557 1HH2 ARG 72 HH21 ARG 72 -31.241 -3.060 -3.461 558 2HH2 ARG 72 HH22 ARG 72 -32.545 -4.157 -3.149 559 H GLY 73 HN GLY 73 -22.760 -3.850 -1.670 560 1HA GLY 73 HA2 GLY 73 -23.675 -2.100 0.075 561 2HA GLY 73 HA1 GLY 73 -23.647 -3.529 1.096 562 H ILE 74 HN ILE 74 -22.102 -0.949 1.116 563 HA ILE 74 HA ILE 74 -19.430 -2.173 1.258 564 HB ILE 74 HB ILE 74 -18.539 0.133 0.647 565 1HG1 ILE 74 HG12 ILE 74 -21.378 0.440 -0.356 566 2HG1 ILE 74 HG11 ILE 74 -20.636 1.372 0.941 567 1HG2 ILE 74 HG21 ILE 74 -19.790 -1.849 -1.159 568 2HG2 ILE 74 HG22 ILE 74 -18.107 -1.340 -1.022 569 3HG2 ILE 74 HG23 ILE 74 -19.269 -0.324 -1.876 570 1HD1 ILE 74 HD11 ILE 74 -18.960 2.170 -0.765 571 2HD1 ILE 74 HD12 ILE 74 -20.615 2.743 -0.970 572 3HD1 ILE 74 HD13 ILE 74 -20.000 1.443 -1.990 573 HA PRO 75 HA PRO 75 -17.426 -1.111 1.683 574 1HB PRO 75 HB2 PRO 75 -15.544 -1.315 3.558 575 2HB PRO 75 HB1 PRO 75 -16.127 0.268 3.031 576 1HG PRO 75 HG2 PRO 75 -16.832 -1.290 5.485 577 2HG PRO 75 HG1 PRO 75 -16.517 0.446 5.314 578 1HD PRO 75 HD2 PRO 75 -19.033 -0.698 5.406 579 2HD PRO 75 HD1 PRO 75 -18.669 0.886 4.693 580 H THR 76 HN THR 76 -17.387 -3.181 0.973 581 HA THR 76 HA THR 76 -17.855 -5.358 2.831 582 HB THR 76 HB THR 76 -17.256 -5.980 0.014 583 HG1 THR 76 HG1 THR 76 -18.400 -4.286 -0.576 584 1HG2 THR 76 HG21 THR 76 -19.858 -6.671 1.168 585 2HG2 THR 76 HG22 THR 76 -18.458 -7.336 2.011 586 3HG2 THR 76 HG23 THR 76 -18.693 -7.666 0.294 587 H LEU 77 HN LEU 77 -16.426 -6.925 3.354 588 HA LEU 77 HA LEU 77 -13.688 -6.578 2.356 589 1HB LEU 77 HB2 LEU 77 -14.634 -6.673 5.024 590 2HB LEU 77 HB1 LEU 77 -13.786 -8.181 4.747 591 HG LEU 77 HG LEU 77 -11.914 -6.593 3.792 592 1HD1 LEU 77 HD11 LEU 77 -13.411 -4.586 4.090 593 2HD1 LEU 77 HD12 LEU 77 -11.802 -4.458 4.800 594 3HD1 LEU 77 HD13 LEU 77 -13.195 -4.790 5.830 595 1HD2 LEU 77 HD21 LEU 77 -11.804 -8.142 5.752 596 2HD2 LEU 77 HD22 LEU 77 -12.371 -6.812 6.761 597 3HD2 LEU 77 HD23 LEU 77 -10.829 -6.682 5.917 598 H LEU 78 HN LEU 78 -13.067 -8.096 1.015 599 HA LEU 78 HA LEU 78 -14.454 -10.688 1.118 600 1HB LEU 78 HB2 LEU 78 -13.294 -9.072 -1.112 601 2HB LEU 78 HB1 LEU 78 -13.352 -10.819 -1.278 602 HG LEU 78 HG LEU 78 -15.519 -8.817 -1.443 603 1HD1 LEU 78 HD11 LEU 78 -15.137 -9.817 -3.458 604 2HD1 LEU 78 HD12 LEU 78 -16.394 -10.878 -2.828 605 3HD1 LEU 78 HD13 LEU 78 -14.700 -11.364 -2.737 606 1HD2 LEU 78 HD21 LEU 78 -15.999 -11.519 -0.187 607 2HD2 LEU 78 HD22 LEU 78 -17.253 -10.427 -0.777 608 3HD2 LEU 78 HD23 LEU 78 -16.233 -9.948 0.582 609 H LEU 79 HN LEU 79 -13.390 -12.491 1.455 610 HA LEU 79 HA LEU 79 -10.457 -12.375 1.604 611 1HB LEU 79 HB2 LEU 79 -12.542 -13.648 3.279 612 2HB LEU 79 HB1 LEU 79 -11.122 -14.629 2.972 613 HG LEU 79 HG LEU 79 -11.005 -13.373 5.097 614 1HD1 LEU 79 HD11 LEU 79 -9.035 -13.423 2.991 615 2HD1 LEU 79 HD12 LEU 79 -8.839 -13.671 4.726 616 3HD1 LEU 79 HD13 LEU 79 -8.796 -12.041 4.059 617 1HD2 LEU 79 HD21 LEU 79 -12.227 -11.358 4.016 618 2HD2 LEU 79 HD22 LEU 79 -10.607 -10.865 3.521 619 3HD2 LEU 79 HD23 LEU 79 -10.984 -11.066 5.232 620 H PHE 80 HN PHE 80 -9.296 -13.823 0.371 621 HA PHE 80 HA PHE 80 -10.862 -15.852 -1.074 622 1HB PHE 80 HB2 PHE 80 -8.877 -13.864 -2.093 623 2HB PHE 80 HB1 PHE 80 -9.066 -15.396 -2.927 624 HD1 PHE 80 HD1 PHE 80 -10.804 -12.349 -1.832 625 HD2 PHE 80 HD2 PHE 80 -10.892 -15.750 -4.386 626 HE1 PHE 80 HE1 PHE 80 -12.727 -11.391 -3.030 627 HE2 PHE 80 HE2 PHE 80 -12.817 -14.797 -5.594 628 HZ PHE 80 HZ PHE 80 -13.733 -12.613 -4.910 629 H LYS 81 HN LYS 81 -9.732 -17.735 -1.662 630 HA LYS 81 HA LYS 81 -7.088 -18.232 -0.536 631 1HB LYS 81 HB2 LYS 81 -9.229 -18.815 1.012 632 2HB LYS 81 HB1 LYS 81 -9.126 -20.297 0.083 633 1HG LYS 81 HG2 LYS 81 -7.446 -21.026 1.322 634 2HG LYS 81 HG1 LYS 81 -6.530 -19.542 1.054 635 1HD LYS 81 HD2 LYS 81 -8.283 -18.595 2.813 636 2HD LYS 81 HD1 LYS 81 -8.333 -20.292 3.294 637 1HE LYS 81 HE2 LYS 81 -5.907 -18.510 3.166 638 2HE LYS 81 HE1 LYS 81 -6.684 -19.146 4.616 639 1HZ LYS 81 HZ1 LYS 81 -5.449 -20.843 2.518 640 2HZ LYS 81 HZ2 LYS 81 -6.039 -21.350 4.020 641 3HZ LYS 81 HZ3 LYS 81 -4.660 -20.372 3.939 642 H ASN 82 HN ASN 82 -6.064 -19.003 -2.337 643 HA ASN 82 HA ASN 82 -5.610 -20.287 -4.155 644 1HB ASN 82 HB2 ASN 82 -7.718 -22.015 -2.859 645 2HB ASN 82 HB1 ASN 82 -6.857 -22.493 -4.314 646 1HD2 ASN 82 HD21 ASN 82 -4.908 -20.644 -2.230 647 2HD2 ASN 82 HD22 ASN 82 -4.041 -21.949 -1.506 648 H GLY 83 HN GLY 83 -7.114 -18.123 -4.691 649 1HA GLY 83 HA2 GLY 83 -8.371 -17.223 -6.386 650 2HA GLY 83 HA1 GLY 83 -8.370 -18.813 -7.127 651 H GLU 84 HN GLU 84 -9.584 -19.019 -4.013 652 HA GLU 84 HA GLU 84 -12.355 -18.774 -4.982 653 1HB GLU 84 HB2 GLU 84 -11.253 -21.128 -4.490 654 2HB GLU 84 HB1 GLU 84 -11.604 -20.702 -2.822 655 1HG GLU 84 HG2 GLU 84 -13.993 -20.210 -3.799 656 2HG GLU 84 HG1 GLU 84 -13.456 -21.330 -5.051 657 H VAL 85 HN VAL 85 -13.857 -17.846 -3.565 658 HA VAL 85 HA VAL 85 -12.893 -16.013 -1.684 659 HB VAL 85 HB VAL 85 -15.097 -15.703 -2.637 660 1HG1 VAL 85 HG11 VAL 85 -16.538 -17.656 -1.046 661 2HG1 VAL 85 HG12 VAL 85 -15.438 -18.402 -2.208 662 3HG1 VAL 85 HG13 VAL 85 -16.671 -17.267 -2.761 663 1HG2 VAL 85 HG21 VAL 85 -14.535 -14.887 -0.291 664 2HG2 VAL 85 HG22 VAL 85 -15.541 -16.213 0.293 665 3HG2 VAL 85 HG23 VAL 85 -16.243 -14.954 -0.723 666 H ALA 86 HN ALA 86 -12.296 -16.224 0.378 667 HA ALA 86 HA ALA 86 -12.552 -18.836 1.615 668 1HB ALA 86 HB1 ALA 86 -10.534 -18.506 2.642 669 2HB ALA 86 HB2 ALA 86 -10.770 -16.759 2.727 670 3HB ALA 86 HB3 ALA 86 -10.326 -17.510 1.199 671 H ALA 87 HN ALA 87 -13.513 -15.660 1.942 672 HA ALA 87 HA ALA 87 -15.351 -16.221 4.007 673 1HB ALA 87 HB1 ALA 87 -13.818 -14.236 5.307 674 2HB ALA 87 HB2 ALA 87 -12.727 -15.550 4.874 675 3HB ALA 87 HB3 ALA 87 -14.162 -15.881 5.844 676 H THR 88 HN THR 88 -16.633 -14.349 4.615 677 HA THR 88 HA THR 88 -16.263 -12.031 2.855 678 HB THR 88 HB THR 88 -17.936 -13.406 1.772 679 HG1 THR 88 HG1 THR 88 -18.818 -11.551 1.409 680 1HG2 THR 88 HG21 THR 88 -19.514 -13.291 4.329 681 2HG2 THR 88 HG22 THR 88 -18.677 -14.715 3.712 682 3HG2 THR 88 HG23 THR 88 -20.022 -14.021 2.806 683 H LYS 89 HN LYS 89 -16.668 -10.078 3.818 684 HA LYS 89 HA LYS 89 -18.082 -10.057 6.377 685 1HB LYS 89 HB2 LYS 89 -15.324 -9.884 6.245 686 2HB LYS 89 HB1 LYS 89 -15.820 -8.198 6.289 687 1HG LYS 89 HG2 LYS 89 -17.103 -10.005 8.244 688 2HG LYS 89 HG1 LYS 89 -15.389 -9.659 8.482 689 1HD LYS 89 HD2 LYS 89 -16.167 -7.179 8.081 690 2HD LYS 89 HD1 LYS 89 -17.735 -7.819 8.579 691 1HE LYS 89 HE2 LYS 89 -15.260 -8.316 10.199 692 2HE LYS 89 HE1 LYS 89 -16.186 -6.828 10.380 693 1HZ LYS 89 HZ1 LYS 89 -17.000 -9.595 10.993 694 2HZ LYS 89 HZ2 LYS 89 -18.167 -8.409 10.689 695 3HZ LYS 89 HZ3 LYS 89 -17.084 -8.219 11.974 696 H VAL 90 HN VAL 90 -19.472 -8.367 6.545 697 HA VAL 90 HA VAL 90 -19.328 -6.318 4.435 698 HB VAL 90 HB VAL 90 -21.838 -7.201 5.857 699 1HG1 VAL 90 HG11 VAL 90 -22.413 -5.190 4.973 700 2HG1 VAL 90 HG12 VAL 90 -22.667 -6.182 3.537 701 3HG1 VAL 90 HG13 VAL 90 -21.174 -5.261 3.720 702 1HG2 VAL 90 HG21 VAL 90 -20.801 -8.082 3.163 703 2HG2 VAL 90 HG22 VAL 90 -22.380 -8.479 3.841 704 3HG2 VAL 90 HG23 VAL 90 -20.912 -9.087 4.608 705 H GLY 91 HN GLY 91 -19.730 -4.155 4.975 706 1HA GLY 91 HA2 GLY 91 -20.107 -2.351 6.376 707 2HA GLY 91 HA1 GLY 91 -20.373 -3.465 7.703 708 H ALA 92 HN ALA 92 -18.898 -1.092 7.885 709 HA ALA 92 HA ALA 92 -16.114 -1.492 7.649 710 1HB ALA 92 HB1 ALA 92 -17.047 0.371 9.732 711 2HB ALA 92 HB2 ALA 92 -17.664 0.659 8.106 712 3HB ALA 92 HB3 ALA 92 -15.924 0.626 8.396 713 H LEU 93 HN LEU 93 -14.560 -1.621 9.367 714 HA LEU 93 HA LEU 93 -15.400 -2.710 11.916 715 1HB LEU 93 HB2 LEU 93 -13.779 -4.662 11.576 716 2HB LEU 93 HB1 LEU 93 -15.353 -4.764 10.810 717 HG LEU 93 HG LEU 93 -13.121 -3.646 9.196 718 1HD1 LEU 93 HD11 LEU 93 -13.325 -6.500 10.082 719 2HD1 LEU 93 HD12 LEU 93 -11.904 -5.459 9.996 720 3HD1 LEU 93 HD13 LEU 93 -12.636 -6.076 8.516 721 1HD2 LEU 93 HD21 LEU 93 -15.617 -5.233 8.742 722 2HD2 LEU 93 HD22 LEU 93 -14.350 -5.183 7.517 723 3HD2 LEU 93 HD23 LEU 93 -15.130 -3.691 8.040 724 H SER 94 HN SER 94 -13.700 -2.734 13.481 725 HA SER 94 HA SER 94 -11.820 -0.632 13.113 726 1HB SER 94 HB2 SER 94 -12.392 -2.568 15.337 727 2HB SER 94 HB1 SER 94 -10.968 -1.529 15.404 728 HG SER 94 HG SER 94 -13.200 -0.819 16.274 729 H LYS 95 HN LYS 95 -9.470 -1.190 14.091 730 HA LYS 95 HA LYS 95 -8.216 -2.740 12.050 731 1HB LYS 95 HB2 LYS 95 -7.118 -0.758 12.912 732 2HB LYS 95 HB1 LYS 95 -7.087 -1.440 14.531 733 1HG LYS 95 HG2 LYS 95 -5.294 -2.733 14.103 734 2HG LYS 95 HG1 LYS 95 -5.779 -3.049 12.437 735 1HD LYS 95 HD2 LYS 95 -5.033 -0.818 11.788 736 2HD LYS 95 HD1 LYS 95 -4.586 -0.474 13.461 737 1HE LYS 95 HE2 LYS 95 -3.234 -2.778 13.042 738 2HE LYS 95 HE1 LYS 95 -3.203 -2.085 11.422 739 1HZ LYS 95 HZ1 LYS 95 -1.298 -1.288 12.509 740 2HZ LYS 95 HZ2 LYS 95 -2.143 -0.914 13.926 741 3HZ LYS 95 HZ3 LYS 95 -2.383 0.010 12.529 742 H GLY 96 HN GLY 96 -9.109 -3.346 15.398 743 1HA GLY 96 HA2 GLY 96 -7.469 -5.681 15.632 744 2HA GLY 96 HA1 GLY 96 -8.718 -5.172 16.753 745 H GLN 97 HN GLN 97 -10.781 -5.060 14.679 746 HA GLN 97 HA GLN 97 -11.595 -7.797 14.809 747 1HB GLN 97 HB2 GLN 97 -12.882 -5.663 13.115 748 2HB GLN 97 HB1 GLN 97 -13.623 -7.111 13.784 749 1HG GLN 97 HG2 GLN 97 -13.551 -6.227 15.987 750 2HG GLN 97 HG1 GLN 97 -12.563 -4.861 15.472 751 1HE2 GLN 97 HE21 GLN 97 -14.950 -4.536 16.859 752 2HE2 GLN 97 HE22 GLN 97 -16.115 -3.802 15.808 753 H LEU 98 HN LEU 98 -10.268 -5.698 12.384 754 HA LEU 98 HA LEU 98 -10.642 -7.470 10.171 755 1HB LEU 98 HB2 LEU 98 -9.881 -4.857 10.365 756 2HB LEU 98 HB1 LEU 98 -8.347 -5.631 10.004 757 HG LEU 98 HG LEU 98 -10.701 -6.330 8.315 758 1HD1 LEU 98 HD11 LEU 98 -9.103 -3.977 7.491 759 2HD1 LEU 98 HD12 LEU 98 -10.364 -3.727 8.697 760 3HD1 LEU 98 HD13 LEU 98 -10.772 -4.403 7.120 761 1HD2 LEU 98 HD21 LEU 98 -7.772 -5.927 7.733 762 2HD2 LEU 98 HD22 LEU 98 -8.984 -6.521 6.599 763 3HD2 LEU 98 HD23 LEU 98 -8.563 -7.476 8.021 764 H LYS 99 HN LYS 99 -7.902 -6.730 12.288 765 HA LYS 99 HA LYS 99 -6.067 -8.531 11.170 766 1HB LYS 99 HB2 LYS 99 -5.876 -6.660 13.065 767 2HB LYS 99 HB1 LYS 99 -6.031 -8.065 14.111 768 1HG LYS 99 HG2 LYS 99 -4.123 -9.086 12.812 769 2HG LYS 99 HG1 LYS 99 -3.896 -7.497 12.078 770 1HD LYS 99 HD2 LYS 99 -2.408 -7.524 13.888 771 2HD LYS 99 HD1 LYS 99 -3.795 -6.606 14.474 772 1HE LYS 99 HE2 LYS 99 -4.583 -8.430 15.751 773 2HE LYS 99 HE1 LYS 99 -3.499 -9.560 14.942 774 1HZ LYS 99 HZ1 LYS 99 -2.528 -9.149 17.009 775 2HZ LYS 99 HZ2 LYS 99 -2.822 -7.486 16.936 776 3HZ LYS 99 HZ3 LYS 99 -1.643 -8.180 15.942 777 H GLU 100 HN GLU 100 -8.449 -8.934 13.766 778 HA GLU 100 HA GLU 100 -7.736 -11.553 14.492 779 1HB GLU 100 HB2 GLU 100 -9.590 -11.550 15.855 780 2HB GLU 100 HB1 GLU 100 -9.367 -9.826 15.624 781 1HG GLU 100 HG2 GLU 100 -11.295 -9.596 14.480 782 2HG GLU 100 HG1 GLU 100 -11.154 -11.160 13.692 783 H PHE 101 HN PHE 101 -9.969 -10.317 12.051 784 HA PHE 101 HA PHE 101 -11.120 -12.753 11.267 785 1HB PHE 101 HB2 PHE 101 -11.819 -10.359 10.686 786 2HB PHE 101 HB1 PHE 101 -10.573 -10.409 9.445 787 HD1 PHE 101 HD1 PHE 101 -13.018 -12.993 10.548 788 HD2 PHE 101 HD2 PHE 101 -11.644 -10.459 7.420 789 HE1 PHE 101 HE1 PHE 101 -14.615 -14.045 9.001 790 HE2 PHE 101 HE2 PHE 101 -13.237 -11.509 5.864 791 HZ PHE 101 HZ PHE 101 -14.728 -13.302 6.658 792 H LEU 102 HN LEU 102 -8.230 -11.043 10.210 793 HA LEU 102 HA LEU 102 -7.576 -12.836 8.092 794 1HB LEU 102 HB2 LEU 102 -6.258 -10.576 9.480 795 2HB LEU 102 HB1 LEU 102 -5.189 -11.737 8.714 796 HG LEU 102 HG LEU 102 -7.450 -10.367 7.267 797 1HD1 LEU 102 HD11 LEU 102 -5.441 -8.952 8.229 798 2HD1 LEU 102 HD12 LEU 102 -6.086 -8.665 6.613 799 3HD1 LEU 102 HD13 LEU 102 -4.613 -9.612 6.819 800 1HD2 LEU 102 HD21 LEU 102 -6.971 -12.170 5.960 801 2HD2 LEU 102 HD22 LEU 102 -5.307 -12.288 6.532 802 3HD2 LEU 102 HD23 LEU 102 -5.750 -11.050 5.355 803 H ASP 103 HN ASP 103 -6.145 -12.399 11.357 804 HA ASP 103 HA ASP 103 -4.398 -14.533 11.324 805 1HB ASP 103 HB2 ASP 103 -5.103 -12.720 13.193 806 2HB ASP 103 HB1 ASP 103 -5.895 -14.148 13.854 807 H ALA 104 HN ALA 104 -7.868 -14.539 11.896 808 HA ALA 104 HA ALA 104 -8.023 -17.277 12.688 809 1HB ALA 104 HB1 ALA 104 -9.687 -15.423 13.210 810 2HB ALA 104 HB2 ALA 104 -10.345 -16.995 12.756 811 3HB ALA 104 HB3 ALA 104 -10.307 -15.681 11.580 812 H ASN 105 HN ASN 105 -7.818 -15.695 9.624 813 HA ASN 105 HA ASN 105 -8.762 -18.140 8.278 814 1HB ASN 105 HB2 ASN 105 -9.575 -15.611 7.839 815 2HB ASN 105 HB1 ASN 105 -8.246 -15.697 6.688 816 1HD2 ASN 105 HD21 ASN 105 -9.661 -15.564 4.951 817 2HD2 ASN 105 HD22 ASN 105 -10.652 -16.898 4.476 818 H LEU 106 HN LEU 106 -6.074 -15.870 8.436 819 HA LEU 106 HA LEU 106 -4.517 -17.100 6.379 820 1HB LEU 106 HB2 LEU 106 -4.261 -14.749 7.173 821 2HB LEU 106 HB1 LEU 106 -3.606 -15.371 8.669 822 HG LEU 106 HG LEU 106 -1.922 -14.533 6.984 823 1HD1 LEU 106 HD11 LEU 106 -0.322 -16.045 7.672 824 2HD1 LEU 106 HD12 LEU 106 -1.427 -17.417 7.581 825 3HD1 LEU 106 HD13 LEU 106 -1.578 -16.249 8.894 826 1HD2 LEU 106 HD21 LEU 106 -3.267 -15.801 5.125 827 2HD2 LEU 106 HD22 LEU 106 -2.212 -17.137 5.579 828 3HD2 LEU 106 HD23 LEU 106 -1.518 -15.617 5.013 829 H VAL 107 HN VAL 107 -4.326 -19.256 6.785 830 HA VAL 107 HA VAL 107 -2.265 -20.103 8.524 831 HB VAL 107 HB VAL 107 -3.818 -19.874 10.312 832 1HG1 VAL 107 HG11 VAL 107 -5.761 -21.306 8.519 833 2HG1 VAL 107 HG12 VAL 107 -5.887 -19.677 9.182 834 3HG1 VAL 107 HG13 VAL 107 -6.030 -21.075 10.247 835 1HG2 VAL 107 HG21 VAL 107 -2.474 -22.010 10.168 836 2HG2 VAL 107 HG22 VAL 107 -3.948 -22.797 9.606 837 3HG2 VAL 107 HG23 VAL 107 -3.896 -22.063 11.209 Start of MODEL 12 1 1H MET 1 HT1 MET 1 3.625 -7.117 -1.312 2 2H MET 1 HT2 MET 1 2.592 -7.647 -2.576 3 3H MET 1 HT3 MET 1 1.972 -7.436 -0.989 4 HA MET 1 HA MET 1 2.538 -5.079 -1.149 5 1HB MET 1 HB2 MET 1 3.411 -6.083 -3.814 6 2HB MET 1 HB1 MET 1 2.659 -4.494 -3.757 7 1HG MET 1 HG2 MET 1 4.327 -3.865 -2.004 8 2HG MET 1 HG1 MET 1 5.138 -5.398 -2.315 9 1HE MET 1 HE1 MET 1 4.256 -2.160 -5.291 10 2HE MET 1 HE2 MET 1 5.226 -1.497 -3.976 11 3HE MET 1 HE3 MET 1 3.697 -2.303 -3.625 12 H VAL 2 HN VAL 2 0.980 -3.553 -2.202 13 HA VAL 2 HA VAL 2 -1.576 -4.931 -2.628 14 HB VAL 2 HB VAL 2 -1.092 -2.024 -1.944 15 1HG1 VAL 2 HG11 VAL 2 -3.301 -1.671 -2.076 16 2HG1 VAL 2 HG12 VAL 2 -3.688 -3.219 -1.321 17 3HG1 VAL 2 HG13 VAL 2 -3.335 -3.143 -3.046 18 1HG2 VAL 2 HG21 VAL 2 -0.756 -4.232 -0.291 19 2HG2 VAL 2 HG22 VAL 2 -2.362 -3.620 0.113 20 3HG2 VAL 2 HG23 VAL 2 -0.958 -2.555 0.214 21 H LYS 3 HN LYS 3 -2.895 -4.464 -4.385 22 HA LYS 3 HA LYS 3 -1.884 -2.584 -6.382 23 1HB LYS 3 HB2 LYS 3 -2.358 -4.392 -8.148 24 2HB LYS 3 HB1 LYS 3 -0.872 -4.533 -7.218 25 1HG LYS 3 HG2 LYS 3 -2.043 -6.144 -5.718 26 2HG LYS 3 HG1 LYS 3 -3.417 -6.093 -6.826 27 1HD LYS 3 HD2 LYS 3 -0.607 -6.927 -7.547 28 2HD LYS 3 HD1 LYS 3 -1.955 -8.024 -7.256 29 1HE LYS 3 HE2 LYS 3 -3.145 -7.151 -9.156 30 2HE LYS 3 HE1 LYS 3 -1.930 -5.896 -9.395 31 1HZ LYS 3 HZ1 LYS 3 -1.900 -8.666 -10.197 32 2HZ LYS 3 HZ2 LYS 3 -0.459 -8.153 -9.475 33 3HZ LYS 3 HZ3 LYS 3 -1.056 -7.346 -10.838 34 H GLN 4 HN GLN 4 -3.490 -1.335 -6.982 35 HA GLN 4 HA GLN 4 -6.192 -1.944 -6.309 36 1HB GLN 4 HB2 GLN 4 -5.587 0.341 -6.206 37 2HB GLN 4 HB1 GLN 4 -4.865 0.311 -7.804 38 1HG GLN 4 HG2 GLN 4 -6.964 1.538 -7.778 39 2HG GLN 4 HG1 GLN 4 -7.049 0.122 -8.826 40 1HE2 GLN 4 HE21 GLN 4 -7.816 1.218 -5.542 41 2HE2 GLN 4 HE22 GLN 4 -9.231 0.244 -5.365 42 H ILE 5 HN ILE 5 -7.647 -2.994 -7.494 43 HA ILE 5 HA ILE 5 -6.936 -3.746 -10.234 44 HB ILE 5 HB ILE 5 -8.462 -5.031 -8.060 45 1HG1 ILE 5 HG12 ILE 5 -7.379 -6.985 -8.831 46 2HG1 ILE 5 HG11 ILE 5 -7.108 -6.303 -10.430 47 1HG2 ILE 5 HG21 ILE 5 -9.329 -5.389 -10.922 48 2HG2 ILE 5 HG22 ILE 5 -10.301 -4.746 -9.599 49 3HG2 ILE 5 HG23 ILE 5 -9.795 -6.434 -9.579 50 1HD1 ILE 5 HD11 ILE 5 -5.840 -4.843 -8.222 51 2HD1 ILE 5 HD12 ILE 5 -5.212 -5.283 -9.810 52 3HD1 ILE 5 HD13 ILE 5 -5.231 -6.473 -8.509 53 H GLU 6 HN GLU 6 -7.655 -2.362 -11.701 54 HA GLU 6 HA GLU 6 -10.212 -1.025 -11.310 55 1HB GLU 6 HB2 GLU 6 -7.921 -0.517 -13.195 56 2HB GLU 6 HB1 GLU 6 -9.447 0.346 -13.293 57 1HG GLU 6 HG2 GLU 6 -7.662 0.302 -10.872 58 2HG GLU 6 HG1 GLU 6 -7.675 1.579 -12.089 59 H SER 7 HN SER 7 -9.774 -3.894 -12.311 60 HA SER 7 HA SER 7 -11.831 -3.743 -14.331 61 1HB SER 7 HB2 SER 7 -9.016 -4.532 -14.982 62 2HB SER 7 HB1 SER 7 -10.351 -5.300 -15.835 63 HG SER 7 HG SER 7 -10.349 -3.574 -17.033 64 H LYS 8 HN LYS 8 -12.638 -5.894 -14.955 65 HA LYS 8 HA LYS 8 -12.829 -7.600 -12.667 66 1HB LYS 8 HB2 LYS 8 -14.740 -7.251 -14.147 67 2HB LYS 8 HB1 LYS 8 -13.852 -7.958 -15.491 68 1HG LYS 8 HG2 LYS 8 -13.743 -9.926 -13.571 69 2HG LYS 8 HG1 LYS 8 -15.354 -9.239 -13.355 70 1HD LYS 8 HD2 LYS 8 -15.662 -10.929 -14.942 71 2HD LYS 8 HD1 LYS 8 -15.574 -9.449 -15.900 72 1HE LYS 8 HE2 LYS 8 -14.168 -10.825 -17.083 73 2HE LYS 8 HE1 LYS 8 -13.026 -10.024 -16.003 74 1HZ LYS 8 HZ1 LYS 8 -14.271 -12.631 -15.353 75 2HZ LYS 8 HZ2 LYS 8 -12.924 -11.907 -14.628 76 3HZ LYS 8 HZ3 LYS 8 -12.814 -12.507 -16.207 77 H THR 9 HN THR 9 -10.933 -7.560 -15.585 78 HA THR 9 HA THR 9 -10.101 -10.313 -15.389 79 HB THR 9 HB THR 9 -8.625 -8.244 -16.981 80 HG1 THR 9 HG1 THR 9 -11.096 -9.415 -17.725 81 1HG2 THR 9 HG21 THR 9 -7.893 -9.940 -18.235 82 2HG2 THR 9 HG22 THR 9 -9.447 -10.780 -18.194 83 3HG2 THR 9 HG23 THR 9 -8.325 -10.927 -16.840 84 H ALA 10 HN ALA 10 -8.947 -7.187 -14.343 85 HA ALA 10 HA ALA 10 -6.293 -7.914 -13.723 86 1HB ALA 10 HB1 ALA 10 -7.902 -5.793 -12.311 87 2HB ALA 10 HB2 ALA 10 -7.219 -5.570 -13.921 88 3HB ALA 10 HB3 ALA 10 -6.156 -5.855 -12.544 89 H PHE 11 HN PHE 11 -9.310 -8.064 -11.892 90 HA PHE 11 HA PHE 11 -8.243 -8.709 -9.373 91 1HB PHE 11 HB2 PHE 11 -10.684 -8.153 -10.044 92 2HB PHE 11 HB1 PHE 11 -10.831 -9.868 -10.409 93 HD1 PHE 11 HD1 PHE 11 -9.005 -8.197 -7.632 94 HD2 PHE 11 HD2 PHE 11 -12.257 -10.698 -8.776 95 HE1 PHE 11 HE1 PHE 11 -9.471 -8.665 -5.267 96 HE2 PHE 11 HE2 PHE 11 -12.731 -11.165 -6.410 97 HZ PHE 11 HZ PHE 11 -11.336 -10.151 -4.651 98 H GLN 12 HN GLN 12 -9.088 -10.726 -12.140 99 HA GLN 12 HA GLN 12 -8.518 -13.208 -10.874 100 1HB GLN 12 HB2 GLN 12 -8.444 -12.570 -13.832 101 2HB GLN 12 HB1 GLN 12 -8.593 -14.165 -13.107 102 1HG GLN 12 HG2 GLN 12 -10.615 -11.945 -12.872 103 2HG GLN 12 HG1 GLN 12 -10.727 -13.327 -13.962 104 1HE2 GLN 12 HE21 GLN 12 -10.678 -12.350 -10.586 105 2HE2 GLN 12 HE22 GLN 12 -11.500 -13.742 -9.980 106 H GLU 13 HN GLU 13 -6.650 -11.020 -12.945 107 HA GLU 13 HA GLU 13 -4.329 -12.529 -13.205 108 1HB GLU 13 HB2 GLU 13 -4.989 -9.632 -13.367 109 2HB GLU 13 HB1 GLU 13 -3.293 -10.074 -13.257 110 1HG GLU 13 HG2 GLU 13 -3.622 -11.563 -15.225 111 2HG GLU 13 HG1 GLU 13 -5.254 -10.915 -15.374 112 H ALA 14 HN ALA 14 -5.180 -10.119 -10.727 113 HA ALA 14 HA ALA 14 -2.753 -10.291 -9.295 114 1HB ALA 14 HB1 ALA 14 -3.708 -8.873 -7.768 115 2HB ALA 14 HB2 ALA 14 -5.298 -9.622 -7.899 116 3HB ALA 14 HB3 ALA 14 -4.716 -8.557 -9.179 117 H LEU 15 HN LEU 15 -5.696 -12.165 -9.218 118 HA LEU 15 HA LEU 15 -5.218 -13.482 -6.747 119 1HB LEU 15 HB2 LEU 15 -7.026 -13.886 -9.082 120 2HB LEU 15 HB1 LEU 15 -6.796 -15.231 -7.982 121 HG LEU 15 HG LEU 15 -7.798 -12.488 -7.211 122 1HD1 LEU 15 HD11 LEU 15 -9.161 -15.071 -7.838 123 2HD1 LEU 15 HD12 LEU 15 -9.574 -13.433 -8.344 124 3HD1 LEU 15 HD13 LEU 15 -9.873 -13.946 -6.683 125 1HD2 LEU 15 HD21 LEU 15 -6.883 -13.187 -5.249 126 2HD2 LEU 15 HD22 LEU 15 -7.005 -14.895 -5.667 127 3HD2 LEU 15 HD23 LEU 15 -8.436 -14.013 -5.134 128 H ASP 16 HN ASP 16 -4.389 -14.168 -10.095 129 HA ASP 16 HA ASP 16 -3.452 -16.795 -9.783 130 1HB ASP 16 HB2 ASP 16 -2.543 -14.650 -11.716 131 2HB ASP 16 HB1 ASP 16 -2.162 -16.362 -11.860 132 H ALA 17 HN ALA 17 -1.955 -13.670 -9.245 133 HA ALA 17 HA ALA 17 0.672 -14.725 -8.791 134 1HB ALA 17 HB1 ALA 17 -0.570 -12.021 -8.361 135 2HB ALA 17 HB2 ALA 17 0.591 -12.507 -9.597 136 3HB ALA 17 HB3 ALA 17 1.097 -12.383 -7.913 137 H ALA 18 HN ALA 18 -2.185 -14.286 -6.921 138 HA ALA 18 HA ALA 18 -1.015 -14.072 -4.347 139 1HB ALA 18 HB1 ALA 18 -3.244 -14.781 -3.522 140 2HB ALA 18 HB2 ALA 18 -3.736 -15.046 -5.196 141 3HB ALA 18 HB3 ALA 18 -3.299 -13.426 -4.648 142 H GLY 19 HN GLY 19 -1.835 -16.851 -6.414 143 1HA GLY 19 HA2 GLY 19 -1.383 -19.063 -6.166 144 2HA GLY 19 HA1 GLY 19 -0.004 -18.540 -5.215 145 H ASP 20 HN ASP 20 0.097 -19.442 -3.307 146 HA ASP 20 HA ASP 20 -2.328 -20.518 -2.099 147 1HB ASP 20 HB2 ASP 20 -0.824 -21.799 -0.674 148 2HB ASP 20 HB1 ASP 20 -0.371 -21.993 -2.364 149 H LYS 21 HN LYS 21 -0.917 -17.605 -1.996 150 HA LYS 21 HA LYS 21 -0.776 -17.201 0.839 151 1HB LYS 21 HB2 LYS 21 -0.755 -15.235 -1.462 152 2HB LYS 21 HB1 LYS 21 -0.446 -14.825 0.220 153 1HG LYS 21 HG2 LYS 21 1.647 -15.663 0.188 154 2HG LYS 21 HG1 LYS 21 1.222 -16.975 -0.918 155 1HD LYS 21 HD2 LYS 21 1.430 -15.608 -2.801 156 2HD LYS 21 HD1 LYS 21 1.315 -14.125 -1.851 157 1HE LYS 21 HE2 LYS 21 3.509 -14.968 -0.749 158 2HE LYS 21 HE1 LYS 21 3.630 -15.994 -2.177 159 1HZ LYS 21 HZ1 LYS 21 3.432 -13.027 -2.174 160 2HZ LYS 21 HZ2 LYS 21 3.508 -13.999 -3.557 161 3HZ LYS 21 HZ3 LYS 21 4.826 -13.932 -2.499 162 H LEU 22 HN LEU 22 -2.228 -15.926 2.061 163 HA LEU 22 HA LEU 22 -4.978 -16.191 1.252 164 1HB LEU 22 HB2 LEU 22 -4.503 -16.556 3.560 165 2HB LEU 22 HB1 LEU 22 -3.630 -15.042 3.695 166 HG LEU 22 HG LEU 22 -5.613 -13.766 3.724 167 1HD1 LEU 22 HD11 LEU 22 -7.773 -15.502 3.495 168 2HD1 LEU 22 HD12 LEU 22 -6.687 -15.965 2.184 169 3HD1 LEU 22 HD13 LEU 22 -7.252 -14.298 2.317 170 1HD2 LEU 22 HD21 LEU 22 -5.108 -15.157 5.759 171 2HD2 LEU 22 HD22 LEU 22 -6.368 -16.266 5.213 172 3HD2 LEU 22 HD23 LEU 22 -6.775 -14.597 5.613 173 H VAL 23 HN VAL 23 -6.262 -14.636 0.402 174 HA VAL 23 HA VAL 23 -5.031 -11.992 0.023 175 HB VAL 23 HB VAL 23 -7.172 -13.149 -1.740 176 1HG1 VAL 23 HG11 VAL 23 -5.687 -11.482 -3.265 177 2HG1 VAL 23 HG12 VAL 23 -5.531 -10.709 -1.688 178 3HG1 VAL 23 HG13 VAL 23 -7.127 -10.989 -2.378 179 1HG2 VAL 23 HG21 VAL 23 -5.570 -14.711 -2.206 180 2HG2 VAL 23 HG22 VAL 23 -4.241 -13.649 -1.735 181 3HG2 VAL 23 HG23 VAL 23 -5.041 -13.425 -3.292 182 H VAL 24 HN VAL 24 -5.823 -10.577 1.354 183 HA VAL 24 HA VAL 24 -8.697 -10.628 1.943 184 HB VAL 24 HB VAL 24 -7.260 -10.688 3.944 185 1HG1 VAL 24 HG11 VAL 24 -5.344 -9.472 2.904 186 2HG1 VAL 24 HG12 VAL 24 -5.770 -8.913 4.521 187 3HG1 VAL 24 HG13 VAL 24 -6.252 -7.973 3.108 188 1HG2 VAL 24 HG21 VAL 24 -8.108 -8.217 4.735 189 2HG2 VAL 24 HG22 VAL 24 -9.101 -9.673 4.719 190 3HG2 VAL 24 HG23 VAL 24 -9.167 -8.546 3.365 191 H VAL 25 HN VAL 25 -9.837 -9.300 0.755 192 HA VAL 25 HA VAL 25 -8.573 -6.804 -0.155 193 HB VAL 25 HB VAL 25 -10.139 -7.039 -2.176 194 1HG1 VAL 25 HG11 VAL 25 -7.620 -7.408 -2.069 195 2HG1 VAL 25 HG12 VAL 25 -8.488 -8.165 -3.405 196 3HG1 VAL 25 HG13 VAL 25 -7.991 -9.133 -2.018 197 1HG2 VAL 25 HG21 VAL 25 -11.353 -8.990 -1.008 198 2HG2 VAL 25 HG22 VAL 25 -9.985 -9.963 -1.556 199 3HG2 VAL 25 HG23 VAL 25 -11.000 -9.126 -2.733 200 H ASP 26 HN ASP 26 -10.177 -5.141 -0.850 201 HA ASP 26 HA ASP 26 -12.609 -5.214 0.796 202 1HB ASP 26 HB2 ASP 26 -10.656 -3.932 1.855 203 2HB ASP 26 HB1 ASP 26 -10.918 -2.735 0.587 204 H PHE 27 HN PHE 27 -14.393 -4.430 -0.130 205 HA PHE 27 HA PHE 27 -14.184 -3.366 -2.862 206 1HB PHE 27 HB2 PHE 27 -16.214 -4.892 -1.342 207 2HB PHE 27 HB1 PHE 27 -16.854 -3.658 -2.426 208 HD1 PHE 27 HD1 PHE 27 -14.807 -6.712 -2.242 209 HD2 PHE 27 HD2 PHE 27 -16.789 -3.930 -4.778 210 HE1 PHE 27 HE1 PHE 27 -14.461 -8.222 -4.154 211 HE2 PHE 27 HE2 PHE 27 -16.454 -5.432 -6.698 212 HZ PHE 27 HZ PHE 27 -15.289 -7.581 -6.388 213 H SER 28 HN SER 28 -13.978 -1.168 -2.847 214 HA SER 28 HA SER 28 -15.641 0.342 -0.939 215 1HB SER 28 HB2 SER 28 -13.965 2.009 -0.808 216 2HB SER 28 HB1 SER 28 -13.099 0.474 -0.724 217 HG SER 28 HG SER 28 -12.258 0.822 -2.653 218 H ALA 29 HN ALA 29 -15.388 2.837 -1.925 219 HA ALA 29 HA ALA 29 -16.174 2.907 -4.716 220 1HB ALA 29 HB1 ALA 29 -18.162 4.337 -3.139 221 2HB ALA 29 HB2 ALA 29 -18.183 2.603 -2.831 222 3HB ALA 29 HB3 ALA 29 -18.380 3.210 -4.475 223 H THR 30 HN THR 30 -16.190 5.094 -5.569 224 HA THR 30 HA THR 30 -14.293 6.796 -4.261 225 HB THR 30 HB THR 30 -15.152 8.397 -6.180 226 HG1 THR 30 HG1 THR 30 -16.175 7.359 -7.812 227 1HG2 THR 30 HG21 THR 30 -13.567 5.889 -6.625 228 2HG2 THR 30 HG22 THR 30 -12.971 7.525 -6.356 229 3HG2 THR 30 HG23 THR 30 -13.788 7.122 -7.864 230 H TRP 31 HN TRP 31 -17.741 6.718 -4.733 231 HA TRP 31 HA TRP 31 -18.227 9.263 -3.430 232 1HB TRP 31 HB2 TRP 31 -20.569 8.805 -3.934 233 2HB TRP 31 HB1 TRP 31 -19.580 8.477 -5.357 234 HD1 TRP 31 HD1 TRP 31 -19.206 5.854 -6.007 235 HE1 TRP 31 HE1 TRP 31 -20.617 3.760 -5.454 236 HE3 TRP 31 HE3 TRP 31 -22.094 7.762 -2.247 237 HZ2 TRP 31 HZ2 TRP 31 -22.672 3.033 -3.696 238 HZ3 TRP 31 HZ3 TRP 31 -23.761 6.300 -1.182 239 HH2 TRP 31 HH2 TRP 31 -24.039 3.981 -1.895 240 H CYS 32 HN CYS 32 -17.229 6.568 -2.046 241 HA CYS 32 HA CYS 32 -19.295 6.373 0.003 242 1HB CYS 32 HB2 CYS 32 -18.237 4.313 -1.002 243 2HB CYS 32 HB1 CYS 32 -16.747 4.765 -0.182 244 H GLY 33 HN GLY 33 -18.741 6.416 2.273 245 1HA GLY 33 HA2 GLY 33 -16.639 8.416 2.802 246 2HA GLY 33 HA1 GLY 33 -18.086 8.198 3.775 247 HA PRO 34 HA PRO 34 -16.083 5.429 6.557 248 1HB PRO 34 HB2 PRO 34 -17.887 3.175 5.923 249 2HB PRO 34 HB1 PRO 34 -17.639 4.019 7.455 250 1HG PRO 34 HG2 PRO 34 -19.876 4.353 6.021 251 2HG PRO 34 HG1 PRO 34 -19.144 5.686 6.932 252 1HD PRO 34 HD2 PRO 34 -19.048 5.118 3.995 253 2HD PRO 34 HD1 PRO 34 -19.216 6.673 4.839 254 H CYS 35 HN CYS 35 -16.620 4.282 3.322 255 HA CYS 35 HA CYS 35 -15.075 1.926 3.397 256 1HB CYS 35 HB2 CYS 35 -15.525 3.816 1.071 257 2HB CYS 35 HB1 CYS 35 -14.947 2.159 0.949 258 H LYS 36 HN LYS 36 -14.287 5.286 2.731 259 HA LYS 36 HA LYS 36 -11.584 4.909 2.024 260 1HB LYS 36 HB2 LYS 36 -12.703 7.383 3.330 261 2HB LYS 36 HB1 LYS 36 -11.385 7.266 2.171 262 1HG LYS 36 HG2 LYS 36 -13.546 6.177 0.831 263 2HG LYS 36 HG1 LYS 36 -14.235 7.532 1.726 264 1HD LYS 36 HD2 LYS 36 -11.851 7.663 -0.120 265 2HD LYS 36 HD1 LYS 36 -13.484 8.210 -0.503 266 1HE LYS 36 HE2 LYS 36 -13.270 10.104 0.698 267 2HE LYS 36 HE1 LYS 36 -12.339 9.315 1.971 268 1HZ LYS 36 HZ1 LYS 36 -10.793 10.701 1.025 269 2HZ LYS 36 HZ2 LYS 36 -11.399 10.516 -0.544 270 3HZ LYS 36 HZ3 LYS 36 -10.500 9.272 0.168 271 H MET 37 HN MET 37 -13.204 5.186 5.116 272 HA MET 37 HA MET 37 -10.933 5.815 6.669 273 1HB MET 37 HB2 MET 37 -13.511 4.459 7.467 274 2HB MET 37 HB1 MET 37 -12.318 5.101 8.590 275 1HG MET 37 HG2 MET 37 -12.713 7.334 7.823 276 2HG MET 37 HG1 MET 37 -13.765 6.753 6.534 277 1HE MET 37 HE1 MET 37 -14.162 8.977 8.683 278 2HE MET 37 HE2 MET 37 -15.668 8.742 9.567 279 3HE MET 37 HE3 MET 37 -15.676 8.766 7.805 280 H ILE 38 HN ILE 38 -11.900 2.841 5.213 281 HA ILE 38 HA ILE 38 -10.451 1.199 7.129 282 HB ILE 38 HB ILE 38 -11.665 0.356 4.496 283 1HG1 ILE 38 HG12 ILE 38 -13.284 1.422 6.137 284 2HG1 ILE 38 HG11 ILE 38 -13.663 -0.222 5.646 285 1HG2 ILE 38 HG21 ILE 38 -10.278 -1.377 5.088 286 2HG2 ILE 38 HG22 ILE 38 -11.772 -1.852 5.899 287 3HG2 ILE 38 HG23 ILE 38 -10.472 -1.089 6.817 288 1HD1 ILE 38 HD11 ILE 38 -13.312 -1.068 7.712 289 2HD1 ILE 38 HD12 ILE 38 -13.762 0.576 8.167 290 3HD1 ILE 38 HD13 ILE 38 -12.059 0.110 8.105 291 H LYS 39 HN LYS 39 -9.886 2.768 4.089 292 HA LYS 39 HA LYS 39 -7.903 1.221 2.952 293 1HB LYS 39 HB2 LYS 39 -8.724 4.034 2.797 294 2HB LYS 39 HB1 LYS 39 -7.034 3.762 2.399 295 1HG LYS 39 HG2 LYS 39 -7.526 2.536 0.528 296 2HG LYS 39 HG1 LYS 39 -9.092 2.010 1.150 297 1HD LYS 39 HD2 LYS 39 -9.984 4.263 0.820 298 2HD LYS 39 HD1 LYS 39 -8.415 4.802 0.222 299 1HE LYS 39 HE2 LYS 39 -8.696 3.817 -1.793 300 2HE LYS 39 HE1 LYS 39 -9.577 2.446 -1.121 301 1HZ LYS 39 HZ1 LYS 39 -11.400 4.255 -0.740 302 2HZ LYS 39 HZ2 LYS 39 -11.229 3.519 -2.253 303 3HZ LYS 39 HZ3 LYS 39 -10.587 5.060 -1.987 304 HA PRO 40 HA PRO 40 -4.649 3.931 5.551 305 1HB PRO 40 HB2 PRO 40 -6.379 4.089 7.975 306 2HB PRO 40 HB1 PRO 40 -5.172 5.233 7.377 307 1HG PRO 40 HG2 PRO 40 -7.757 5.731 7.046 308 2HG PRO 40 HG1 PRO 40 -6.599 6.089 5.750 309 1HD PRO 40 HD2 PRO 40 -8.550 3.843 5.981 310 2HD PRO 40 HD1 PRO 40 -8.020 4.737 4.543 311 H PHE 41 HN PHE 41 -6.883 1.902 7.487 312 HA PHE 41 HA PHE 41 -4.687 0.600 8.809 313 1HB PHE 41 HB2 PHE 41 -7.545 -0.351 8.809 314 2HB PHE 41 HB1 PHE 41 -6.321 -0.571 10.054 315 HD1 PHE 41 HD1 PHE 41 -5.454 1.606 11.187 316 HD2 PHE 41 HD2 PHE 41 -9.106 1.322 9.021 317 HE1 PHE 41 HE1 PHE 41 -6.303 3.591 12.365 318 HE2 PHE 41 HE2 PHE 41 -9.962 3.307 10.198 319 HZ PHE 41 HZ PHE 41 -8.560 4.441 11.873 320 H PHE 42 HN PHE 42 -6.748 -0.146 6.056 321 HA PHE 42 HA PHE 42 -6.192 -2.914 5.937 322 1HB PHE 42 HB2 PHE 42 -7.947 -1.403 4.655 323 2HB PHE 42 HB1 PHE 42 -6.671 -1.330 3.447 324 HD1 PHE 42 HD1 PHE 42 -8.753 -3.703 5.402 325 HD2 PHE 42 HD2 PHE 42 -6.393 -3.062 1.916 326 HE1 PHE 42 HE1 PHE 42 -9.504 -5.866 4.503 327 HE2 PHE 42 HE2 PHE 42 -7.147 -5.222 1.009 328 HZ PHE 42 HZ PHE 42 -8.700 -6.627 2.305 329 H HIS 43 HN HIS 43 -4.709 -0.095 4.389 330 HA HIS 43 HA HIS 43 -2.782 -1.533 2.912 331 1HB HIS 43 HB2 HIS 43 -3.604 1.070 2.981 332 2HB HIS 43 HB1 HIS 43 -2.031 1.186 3.765 333 HD1 HIS 43 HD1 HIS 43 -3.534 1.199 0.480 334 HD2 HIS 43 HD2 HIS 43 0.071 -0.077 2.106 335 HE1 HIS 43 HE1 HIS 43 -1.923 0.954 -1.456 336 H SER 44 HN SER 44 -2.719 -0.095 6.153 337 HA SER 44 HA SER 44 0.017 -0.389 6.650 338 1HB SER 44 HB2 SER 44 -1.246 0.961 8.150 339 2HB SER 44 HB1 SER 44 -2.374 -0.353 8.493 340 HG SER 44 HG SER 44 -0.970 -1.230 9.840 341 H LEU 45 HN LEU 45 -2.680 -2.625 7.224 342 HA LEU 45 HA LEU 45 -1.228 -4.622 8.543 343 1HB LEU 45 HB2 LEU 45 -3.690 -4.747 6.807 344 2HB LEU 45 HB1 LEU 45 -3.037 -6.162 7.610 345 HG LEU 45 HG LEU 45 -3.680 -3.735 9.235 346 1HD1 LEU 45 HD11 LEU 45 -5.791 -5.788 8.873 347 2HD1 LEU 45 HD12 LEU 45 -5.601 -4.574 7.609 348 3HD1 LEU 45 HD13 LEU 45 -5.931 -4.074 9.268 349 1HD2 LEU 45 HD21 LEU 45 -2.483 -5.829 10.077 350 2HD2 LEU 45 HD22 LEU 45 -4.043 -6.636 9.912 351 3HD2 LEU 45 HD23 LEU 45 -3.873 -5.263 11.004 352 H SER 46 HN SER 46 -1.722 -3.971 5.114 353 HA SER 46 HA SER 46 -0.681 -6.300 4.020 354 1HB SER 46 HB2 SER 46 -1.836 -4.460 2.765 355 2HB SER 46 HB1 SER 46 -0.352 -3.516 2.885 356 HG SER 46 HG SER 46 0.522 -4.697 1.378 357 H GLU 47 HN GLU 47 1.008 -3.543 5.429 358 HA GLU 47 HA GLU 47 3.552 -4.449 4.384 359 1HB GLU 47 HB2 GLU 47 4.511 -2.501 5.396 360 2HB GLU 47 HB1 GLU 47 3.023 -2.027 4.592 361 1HG GLU 47 HG2 GLU 47 2.026 -1.415 6.508 362 2HG GLU 47 HG1 GLU 47 2.751 -2.729 7.435 363 H LYS 48 HN LYS 48 1.642 -5.002 7.164 364 HA LYS 48 HA LYS 48 3.958 -5.888 8.726 365 1HB LYS 48 HB2 LYS 48 2.217 -4.541 9.857 366 2HB LYS 48 HB1 LYS 48 1.034 -5.791 9.497 367 1HG LYS 48 HG2 LYS 48 2.753 -7.322 10.768 368 2HG LYS 48 HG1 LYS 48 3.243 -5.784 11.483 369 1HD LYS 48 HD2 LYS 48 1.614 -6.530 12.955 370 2HD LYS 48 HD1 LYS 48 0.710 -5.445 11.897 371 1HE LYS 48 HE2 LYS 48 -0.622 -7.377 12.119 372 2HE LYS 48 HE1 LYS 48 0.125 -7.494 10.525 373 1HZ LYS 48 HZ1 LYS 48 1.772 -9.001 11.450 374 2HZ LYS 48 HZ2 LYS 48 0.209 -9.600 11.703 375 3HZ LYS 48 HZ3 LYS 48 1.057 -8.885 12.981 376 H TYR 49 HN TYR 49 1.452 -7.080 6.717 377 HA TYR 49 HA TYR 49 1.774 -9.835 7.663 378 1HB TYR 49 HB2 TYR 49 -0.242 -8.396 5.997 379 2HB TYR 49 HB1 TYR 49 -0.017 -10.121 5.727 380 HD1 TYR 49 HD1 TYR 49 -0.924 -11.717 7.217 381 HD2 TYR 49 HD2 TYR 49 -0.913 -7.597 8.290 382 HE1 TYR 49 HE1 TYR 49 -2.384 -12.215 9.132 383 HE2 TYR 49 HE2 TYR 49 -2.371 -8.087 10.204 384 HH TYR 49 HH TYR 49 -2.774 -10.419 11.667 385 H SER 50 HN SER 50 3.807 -10.384 6.875 386 HA SER 50 HA SER 50 4.377 -10.035 4.043 387 1HB SER 50 HB2 SER 50 6.120 -9.661 5.813 388 2HB SER 50 HB1 SER 50 6.077 -11.389 6.151 389 HG SER 50 HG SER 50 7.669 -11.200 4.696 390 H ASN 51 HN ASN 51 2.211 -11.601 4.271 391 HA ASN 51 HA ASN 51 3.133 -14.103 3.160 392 1HB ASN 51 HB2 ASN 51 2.597 -14.148 5.831 393 2HB ASN 51 HB1 ASN 51 1.008 -14.525 5.168 394 1HD2 ASN 51 HD21 ASN 51 1.145 -16.606 6.058 395 2HD2 ASN 51 HD22 ASN 51 2.113 -17.836 5.327 396 H VAL 52 HN VAL 52 0.395 -12.113 4.176 397 HA VAL 52 HA VAL 52 -1.310 -13.255 2.100 398 HB VAL 52 HB VAL 52 -3.126 -12.076 3.121 399 1HG1 VAL 52 HG11 VAL 52 -1.936 -14.094 4.304 400 2HG1 VAL 52 HG12 VAL 52 -3.265 -13.239 5.092 401 3HG1 VAL 52 HG13 VAL 52 -1.599 -12.884 5.544 402 1HG2 VAL 52 HG21 VAL 52 -2.122 -10.785 5.366 403 2HG2 VAL 52 HG22 VAL 52 -2.759 -10.033 3.906 404 3HG2 VAL 52 HG23 VAL 52 -1.030 -10.323 4.063 405 H ILE 53 HN ILE 53 -2.398 -11.979 0.556 406 HA ILE 53 HA ILE 53 -0.900 -9.568 -0.198 407 HB ILE 53 HB ILE 53 -1.155 -11.623 -1.768 408 1HG1 ILE 53 HG12 ILE 53 -1.360 -10.041 -3.755 409 2HG1 ILE 53 HG11 ILE 53 -1.614 -8.760 -2.574 410 1HG2 ILE 53 HG21 ILE 53 -3.073 -11.731 -3.154 411 2HG2 ILE 53 HG22 ILE 53 -3.750 -10.266 -2.439 412 3HG2 ILE 53 HG23 ILE 53 -3.636 -11.743 -1.483 413 1HD1 ILE 53 HD11 ILE 53 0.774 -9.375 -3.560 414 2HD1 ILE 53 HD12 ILE 53 0.754 -10.480 -2.186 415 3HD1 ILE 53 HD13 ILE 53 0.548 -8.748 -1.927 416 H PHE 54 HN PHE 54 -1.795 -7.725 0.301 417 HA PHE 54 HA PHE 54 -4.700 -7.504 0.663 418 1HB PHE 54 HB2 PHE 54 -2.293 -5.931 1.505 419 2HB PHE 54 HB1 PHE 54 -3.810 -5.083 1.336 420 HD1 PHE 54 HD1 PHE 54 -2.535 -8.222 2.993 421 HD2 PHE 54 HD2 PHE 54 -5.008 -4.754 3.208 422 HE1 PHE 54 HE1 PHE 54 -3.132 -8.780 5.322 423 HE2 PHE 54 HE2 PHE 54 -5.618 -5.328 5.520 424 HZ PHE 54 HZ PHE 54 -4.675 -7.337 6.578 425 H LEU 55 HN LEU 55 -5.841 -6.819 -1.153 426 HA LEU 55 HA LEU 55 -4.531 -4.748 -2.747 427 1HB LEU 55 HB2 LEU 55 -4.755 -5.739 -4.694 428 2HB LEU 55 HB1 LEU 55 -4.804 -7.212 -3.744 429 HG LEU 55 HG LEU 55 -7.465 -6.498 -3.901 430 1HD1 LEU 55 HD11 LEU 55 -7.020 -4.725 -5.486 431 2HD1 LEU 55 HD12 LEU 55 -7.827 -6.060 -6.310 432 3HD1 LEU 55 HD13 LEU 55 -6.089 -5.827 -6.501 433 1HD2 LEU 55 HD21 LEU 55 -7.504 -8.288 -5.694 434 2HD2 LEU 55 HD22 LEU 55 -6.741 -8.735 -4.166 435 3HD2 LEU 55 HD23 LEU 55 -5.744 -8.324 -5.562 436 H GLU 56 HN GLU 56 -6.041 -3.488 -4.118 437 HA GLU 56 HA GLU 56 -8.475 -2.964 -2.555 438 1HB GLU 56 HB2 GLU 56 -6.379 -1.367 -2.855 439 2HB GLU 56 HB1 GLU 56 -7.249 -0.929 -4.317 440 1HG GLU 56 HG2 GLU 56 -7.862 0.630 -2.638 441 2HG GLU 56 HG1 GLU 56 -9.243 -0.441 -2.879 442 H VAL 57 HN VAL 57 -10.327 -3.394 -3.558 443 HA VAL 57 HA VAL 57 -10.410 -3.070 -6.486 444 HB VAL 57 HB VAL 57 -12.433 -4.742 -5.048 445 1HG1 VAL 57 HG11 VAL 57 -12.068 -5.940 -7.355 446 2HG1 VAL 57 HG12 VAL 57 -11.382 -4.380 -7.806 447 3HG1 VAL 57 HG13 VAL 57 -13.048 -4.478 -7.234 448 1HG2 VAL 57 HG21 VAL 57 -9.604 -5.506 -5.677 449 2HG2 VAL 57 HG22 VAL 57 -10.892 -6.709 -5.742 450 3HG2 VAL 57 HG23 VAL 57 -10.558 -5.855 -4.235 451 H ASP 58 HN ASP 58 -11.498 -1.371 -7.123 452 HA ASP 58 HA ASP 58 -13.543 -0.214 -5.374 453 1HB ASP 58 HB2 ASP 58 -11.780 1.303 -6.151 454 2HB ASP 58 HB1 ASP 58 -12.145 0.898 -7.825 455 H VAL 59 HN VAL 59 -15.600 -0.699 -5.779 456 HA VAL 59 HA VAL 59 -16.421 -2.278 -7.923 457 HB VAL 59 HB VAL 59 -17.637 -2.160 -5.794 458 1HG1 VAL 59 HG11 VAL 59 -18.632 -0.314 -4.964 459 2HG1 VAL 59 HG12 VAL 59 -19.096 0.290 -6.553 460 3HG1 VAL 59 HG13 VAL 59 -17.446 0.511 -5.973 461 1HG2 VAL 59 HG21 VAL 59 -19.697 -2.630 -6.691 462 2HG2 VAL 59 HG22 VAL 59 -18.670 -2.774 -8.115 463 3HG2 VAL 59 HG23 VAL 59 -19.618 -1.310 -7.856 464 H ASP 60 HN ASP 60 -15.936 1.118 -7.804 465 HA ASP 60 HA ASP 60 -17.805 1.921 -9.765 466 1HB ASP 60 HB2 ASP 60 -16.241 3.329 -8.163 467 2HB ASP 60 HB1 ASP 60 -15.143 3.271 -9.538 468 H ASP 61 HN ASP 61 -14.529 0.684 -9.897 469 HA ASP 61 HA ASP 61 -14.578 0.712 -12.833 470 1HB ASP 61 HB2 ASP 61 -12.325 0.219 -10.873 471 2HB ASP 61 HB1 ASP 61 -12.154 0.116 -12.623 472 H ALA 62 HN ALA 62 -14.472 -1.406 -10.057 473 HA ALA 62 HA ALA 62 -14.281 -3.771 -11.754 474 1HB ALA 62 HB1 ALA 62 -13.178 -3.202 -9.322 475 2HB ALA 62 HB2 ALA 62 -13.364 -4.820 -9.998 476 3HB ALA 62 HB3 ALA 62 -14.569 -4.188 -8.874 477 H GLN 63 HN GLN 63 -16.600 -2.339 -12.101 478 HA GLN 63 HA GLN 63 -18.746 -3.229 -10.476 479 1HB GLN 63 HB2 GLN 63 -18.576 -1.219 -12.139 480 2HB GLN 63 HB1 GLN 63 -19.116 -2.394 -13.330 481 1HG GLN 63 HG2 GLN 63 -21.113 -2.829 -11.984 482 2HG GLN 63 HG1 GLN 63 -20.565 -1.643 -10.801 483 1HE2 GLN 63 HE21 GLN 63 -23.022 -1.388 -11.969 484 2HE2 GLN 63 HE22 GLN 63 -23.022 -0.027 -13.034 485 H ASP 64 HN ASP 64 -16.899 -4.889 -12.765 486 HA ASP 64 HA ASP 64 -19.098 -6.636 -13.560 487 1HB ASP 64 HB2 ASP 64 -16.347 -6.127 -14.559 488 2HB ASP 64 HB1 ASP 64 -16.986 -7.754 -14.775 489 H VAL 65 HN VAL 65 -16.456 -6.540 -11.318 490 HA VAL 65 HA VAL 65 -16.346 -9.400 -10.990 491 HB VAL 65 HB VAL 65 -15.030 -8.780 -8.853 492 1HG1 VAL 65 HG11 VAL 65 -13.598 -9.568 -10.391 493 2HG1 VAL 65 HG12 VAL 65 -13.134 -7.874 -10.551 494 3HG1 VAL 65 HG13 VAL 65 -14.280 -8.585 -11.686 495 1HG2 VAL 65 HG21 VAL 65 -14.928 -6.110 -10.240 496 2HG2 VAL 65 HG22 VAL 65 -14.064 -6.582 -8.779 497 3HG2 VAL 65 HG23 VAL 65 -15.820 -6.436 -8.756 498 H ALA 66 HN ALA 66 -17.682 -6.673 -9.070 499 HA ALA 66 HA ALA 66 -18.632 -8.037 -6.900 500 1HB ALA 66 HB1 ALA 66 -19.245 -5.544 -8.260 501 2HB ALA 66 HB2 ALA 66 -19.150 -5.897 -6.535 502 3HB ALA 66 HB3 ALA 66 -20.643 -6.216 -7.422 503 HA PRO 67 HA PRO 67 -22.933 -8.766 -9.263 504 1HB PRO 67 HB2 PRO 67 -21.694 -8.931 -11.977 505 2HB PRO 67 HB1 PRO 67 -23.307 -8.374 -11.513 506 1HG PRO 67 HG2 PRO 67 -21.412 -6.619 -12.131 507 2HG PRO 67 HG1 PRO 67 -22.524 -6.304 -10.790 508 1HD PRO 67 HD2 PRO 67 -19.666 -7.140 -10.734 509 2HD PRO 67 HD1 PRO 67 -20.565 -6.088 -9.623 510 H LYS 68 HN LYS 68 -19.807 -10.021 -10.208 511 HA LYS 68 HA LYS 68 -20.757 -12.667 -10.808 512 1HB LYS 68 HB2 LYS 68 -18.121 -11.302 -10.703 513 2HB LYS 68 HB1 LYS 68 -18.123 -13.045 -10.485 514 1HG LYS 68 HG2 LYS 68 -19.209 -13.351 -12.619 515 2HG LYS 68 HG1 LYS 68 -19.348 -11.604 -12.829 516 1HD LYS 68 HD2 LYS 68 -17.156 -11.362 -13.379 517 2HD LYS 68 HD1 LYS 68 -16.633 -12.667 -12.314 518 1HE LYS 68 HE2 LYS 68 -16.243 -13.423 -14.520 519 2HE LYS 68 HE1 LYS 68 -17.685 -14.266 -13.960 520 1HZ LYS 68 HZ1 LYS 68 -18.063 -11.750 -15.397 521 2HZ LYS 68 HZ2 LYS 68 -19.014 -13.150 -15.397 522 3HZ LYS 68 HZ3 LYS 68 -17.585 -13.100 -16.300 523 H TYR 69 HN TYR 69 -19.738 -10.950 -7.959 524 HA TYR 69 HA TYR 69 -19.517 -13.456 -6.425 525 1HB TYR 69 HB2 TYR 69 -18.543 -10.647 -5.932 526 2HB TYR 69 HB1 TYR 69 -18.562 -11.876 -4.676 527 HD1 TYR 69 HD1 TYR 69 -17.381 -14.158 -5.368 528 HD2 TYR 69 HD2 TYR 69 -16.626 -10.386 -7.185 529 HE1 TYR 69 HE1 TYR 69 -15.214 -14.986 -6.178 530 HE2 TYR 69 HE2 TYR 69 -14.456 -11.202 -7.997 531 HH TYR 69 HH TYR 69 -12.801 -12.977 -7.367 532 H GLY 70 HN GLY 70 -21.751 -11.146 -7.157 533 1HA GLY 70 HA2 GLY 70 -23.819 -10.644 -6.299 534 2HA GLY 70 HA1 GLY 70 -23.599 -12.009 -5.220 535 H ILE 71 HN ILE 71 -21.524 -9.138 -5.303 536 HA ILE 71 HA ILE 71 -21.925 -8.741 -2.481 537 HB ILE 71 HB ILE 71 -20.438 -7.017 -4.473 538 1HG1 ILE 71 HG12 ILE 71 -19.362 -9.034 -2.489 539 2HG1 ILE 71 HG11 ILE 71 -19.554 -9.341 -4.210 540 1HG2 ILE 71 HG21 ILE 71 -20.880 -5.623 -2.648 541 2HG2 ILE 71 HG22 ILE 71 -19.266 -6.260 -2.320 542 3HG2 ILE 71 HG23 ILE 71 -20.665 -6.930 -1.482 543 1HD1 ILE 71 HD11 ILE 71 -18.096 -6.998 -4.109 544 2HD1 ILE 71 HD12 ILE 71 -17.476 -8.616 -4.440 545 3HD1 ILE 71 HD13 ILE 71 -17.439 -7.976 -2.796 546 H ARG 72 HN ARG 72 -23.188 -7.238 -1.477 547 HA ARG 72 HA ARG 72 -24.453 -5.143 -3.081 548 1HB ARG 72 HB2 ARG 72 -25.932 -7.219 -2.985 549 2HB ARG 72 HB1 ARG 72 -26.122 -6.880 -1.272 550 1HG ARG 72 HG2 ARG 72 -27.388 -5.008 -1.639 551 2HG ARG 72 HG1 ARG 72 -26.685 -4.711 -3.229 552 1HD ARG 72 HD2 ARG 72 -28.709 -5.491 -3.895 553 2HD ARG 72 HD1 ARG 72 -27.868 -7.034 -3.747 554 HE ARG 72 HE ARG 72 -29.281 -7.578 -2.047 555 1HH1 ARG 72 HH11 ARG 72 -29.324 -4.110 -2.433 556 2HH1 ARG 72 HH12 ARG 72 -30.585 -3.871 -1.272 557 1HH2 ARG 72 HH21 ARG 72 -30.944 -7.265 -0.521 558 2HH2 ARG 72 HH22 ARG 72 -31.508 -5.662 -0.189 559 H GLY 73 HN GLY 73 -22.785 -4.042 -1.733 560 1HA GLY 73 HA2 GLY 73 -23.748 -2.310 0.069 561 2HA GLY 73 HA1 GLY 73 -23.444 -3.712 1.081 562 H ILE 74 HN ILE 74 -22.181 -1.294 1.537 563 HA ILE 74 HA ILE 74 -19.400 -2.080 1.178 564 HB ILE 74 HB ILE 74 -18.721 0.173 0.442 565 1HG1 ILE 74 HG12 ILE 74 -21.673 0.656 -0.011 566 2HG1 ILE 74 HG11 ILE 74 -20.756 1.341 1.325 567 1HG2 ILE 74 HG21 ILE 74 -18.974 -1.570 -1.218 568 2HG2 ILE 74 HG22 ILE 74 -19.510 -0.030 -1.891 569 3HG2 ILE 74 HG23 ILE 74 -20.697 -1.222 -1.363 570 1HD1 ILE 74 HD11 ILE 74 -20.750 3.063 -0.185 571 2HD1 ILE 74 HD12 ILE 74 -20.650 1.986 -1.578 572 3HD1 ILE 74 HD13 ILE 74 -19.227 2.262 -0.571 573 HA PRO 75 HA PRO 75 -17.488 -1.120 1.587 574 1HB PRO 75 HB2 PRO 75 -15.521 -1.280 3.403 575 2HB PRO 75 HB1 PRO 75 -16.107 0.278 2.814 576 1HG PRO 75 HG2 PRO 75 -16.635 -1.087 5.400 577 2HG PRO 75 HG1 PRO 75 -16.469 0.641 5.052 578 1HD PRO 75 HD2 PRO 75 -18.876 -0.757 5.375 579 2HD PRO 75 HD1 PRO 75 -18.693 0.864 4.678 580 H THR 76 HN THR 76 -17.498 -3.207 0.914 581 HA THR 76 HA THR 76 -17.866 -5.354 2.821 582 HB THR 76 HB THR 76 -17.326 -6.145 0.064 583 HG1 THR 76 HG1 THR 76 -18.542 -4.774 -0.918 584 1HG2 THR 76 HG21 THR 76 -19.903 -6.802 0.542 585 2HG2 THR 76 HG22 THR 76 -19.250 -6.752 2.177 586 3HG2 THR 76 HG23 THR 76 -18.513 -7.797 0.967 587 H LEU 77 HN LEU 77 -16.390 -6.846 3.403 588 HA LEU 77 HA LEU 77 -13.666 -6.504 2.354 589 1HB LEU 77 HB2 LEU 77 -14.658 -6.667 5.031 590 2HB LEU 77 HB1 LEU 77 -13.678 -8.088 4.732 591 HG LEU 77 HG LEU 77 -11.898 -6.404 3.877 592 1HD1 LEU 77 HD11 LEU 77 -13.800 -4.559 4.198 593 2HD1 LEU 77 HD12 LEU 77 -12.084 -4.201 4.375 594 3HD1 LEU 77 HD13 LEU 77 -13.075 -4.495 5.802 595 1HD2 LEU 77 HD21 LEU 77 -11.453 -5.887 6.465 596 2HD2 LEU 77 HD22 LEU 77 -11.181 -7.472 5.742 597 3HD2 LEU 77 HD23 LEU 77 -12.669 -7.152 6.632 598 H LEU 78 HN LEU 78 -12.974 -8.080 1.068 599 HA LEU 78 HA LEU 78 -14.373 -10.670 1.204 600 1HB LEU 78 HB2 LEU 78 -13.335 -9.042 -1.072 601 2HB LEU 78 HB1 LEU 78 -13.352 -10.781 -1.245 602 HG LEU 78 HG LEU 78 -15.670 -8.886 -1.034 603 1HD1 LEU 78 HD11 LEU 78 -14.445 -10.029 -3.151 604 2HD1 LEU 78 HD12 LEU 78 -16.137 -9.532 -3.125 605 3HD1 LEU 78 HD13 LEU 78 -15.705 -11.215 -2.818 606 1HD2 LEU 78 HD21 LEU 78 -16.508 -10.366 0.500 607 2HD2 LEU 78 HD22 LEU 78 -15.582 -11.724 -0.138 608 3HD2 LEU 78 HD23 LEU 78 -17.009 -11.148 -0.998 609 H LEU 79 HN LEU 79 -13.254 -12.499 1.456 610 HA LEU 79 HA LEU 79 -10.315 -12.318 1.515 611 1HB LEU 79 HB2 LEU 79 -12.302 -13.628 3.277 612 2HB LEU 79 HB1 LEU 79 -10.857 -14.561 2.937 613 HG LEU 79 HG LEU 79 -10.774 -13.237 5.051 614 1HD1 LEU 79 HD11 LEU 79 -8.512 -12.174 4.491 615 2HD1 LEU 79 HD12 LEU 79 -8.766 -12.817 2.869 616 3HD1 LEU 79 HD13 LEU 79 -8.697 -13.911 4.249 617 1HD2 LEU 79 HD21 LEU 79 -10.868 -10.963 5.125 618 2HD2 LEU 79 HD22 LEU 79 -11.957 -11.256 3.769 619 3HD2 LEU 79 HD23 LEU 79 -10.288 -10.771 3.470 620 H PHE 80 HN PHE 80 -9.238 -13.558 0.082 621 HA PHE 80 HA PHE 80 -10.735 -15.719 -1.241 622 1HB PHE 80 HB2 PHE 80 -8.823 -13.665 -2.300 623 2HB PHE 80 HB1 PHE 80 -9.024 -15.190 -3.147 624 HD1 PHE 80 HD1 PHE 80 -10.659 -12.084 -2.112 625 HD2 PHE 80 HD2 PHE 80 -11.043 -15.674 -4.373 626 HE1 PHE 80 HE1 PHE 80 -12.651 -11.169 -3.219 627 HE2 PHE 80 HE2 PHE 80 -13.039 -14.756 -5.485 628 HZ PHE 80 HZ PHE 80 -13.845 -12.505 -4.905 629 H LYS 81 HN LYS 81 -9.674 -17.636 -1.707 630 HA LYS 81 HA LYS 81 -6.920 -18.007 -0.826 631 1HB LYS 81 HB2 LYS 81 -8.927 -18.584 0.938 632 2HB LYS 81 HB1 LYS 81 -8.749 -20.126 0.114 633 1HG LYS 81 HG2 LYS 81 -6.855 -20.589 1.186 634 2HG LYS 81 HG1 LYS 81 -6.193 -18.981 0.880 635 1HD LYS 81 HD2 LYS 81 -7.465 -18.080 2.750 636 2HD LYS 81 HD1 LYS 81 -8.203 -19.659 3.033 637 1HE LYS 81 HE2 LYS 81 -5.343 -18.826 3.435 638 2HE LYS 81 HE1 LYS 81 -6.476 -19.467 4.622 639 1HZ LYS 81 HZ1 LYS 81 -4.976 -20.891 2.536 640 2HZ LYS 81 HZ2 LYS 81 -6.448 -21.525 3.072 641 3HZ LYS 81 HZ3 LYS 81 -5.184 -21.286 4.167 642 H ASN 82 HN ASN 82 -5.974 -18.959 -2.528 643 HA ASN 82 HA ASN 82 -5.618 -20.319 -4.329 644 1HB ASN 82 HB2 ASN 82 -7.827 -22.066 -3.249 645 2HB ASN 82 HB1 ASN 82 -6.443 -22.549 -4.220 646 1HD2 ASN 82 HD21 ASN 82 -4.320 -21.558 -3.029 647 2HD2 ASN 82 HD22 ASN 82 -4.171 -22.121 -1.404 648 H GLY 83 HN GLY 83 -7.214 -18.155 -4.820 649 1HA GLY 83 HA2 GLY 83 -8.520 -17.335 -6.515 650 2HA GLY 83 HA1 GLY 83 -8.567 -18.953 -7.178 651 H GLU 84 HN GLU 84 -9.693 -19.117 -4.032 652 HA GLU 84 HA GLU 84 -12.473 -18.718 -4.930 653 1HB GLU 84 HB2 GLU 84 -11.433 -21.148 -4.487 654 2HB GLU 84 HB1 GLU 84 -11.909 -20.754 -2.840 655 1HG GLU 84 HG2 GLU 84 -14.050 -20.105 -4.619 656 2HG GLU 84 HG1 GLU 84 -13.513 -21.756 -4.924 657 H VAL 85 HN VAL 85 -13.892 -17.788 -3.520 658 HA VAL 85 HA VAL 85 -12.830 -16.152 -1.448 659 HB VAL 85 HB VAL 85 -15.739 -16.825 -1.942 660 1HG1 VAL 85 HG11 VAL 85 -16.167 -14.689 -0.822 661 2HG1 VAL 85 HG12 VAL 85 -14.439 -14.503 -0.527 662 3HG1 VAL 85 HG13 VAL 85 -15.327 -15.819 0.239 663 1HG2 VAL 85 HG21 VAL 85 -15.854 -15.178 -3.536 664 2HG2 VAL 85 HG22 VAL 85 -14.234 -15.801 -3.839 665 3HG2 VAL 85 HG23 VAL 85 -14.447 -14.321 -2.908 666 H ALA 86 HN ALA 86 -12.289 -16.824 0.570 667 HA ALA 86 HA ALA 86 -13.711 -19.153 1.663 668 1HB ALA 86 HB1 ALA 86 -10.878 -18.258 1.932 669 2HB ALA 86 HB2 ALA 86 -11.512 -19.847 1.504 670 3HB ALA 86 HB3 ALA 86 -11.608 -19.278 3.170 671 H ALA 87 HN ALA 87 -14.022 -16.057 1.850 672 HA ALA 87 HA ALA 87 -15.295 -16.023 4.348 673 1HB ALA 87 HB1 ALA 87 -13.321 -14.083 4.915 674 2HB ALA 87 HB2 ALA 87 -12.487 -15.577 4.497 675 3HB ALA 87 HB3 ALA 87 -13.679 -15.568 5.794 676 H THR 88 HN THR 88 -16.667 -14.297 4.487 677 HA THR 88 HA THR 88 -16.172 -12.002 2.735 678 HB THR 88 HB THR 88 -18.887 -13.297 2.884 679 HG1 THR 88 HG1 THR 88 -18.354 -14.610 1.330 680 1HG2 THR 88 HG21 THR 88 -19.577 -11.634 1.611 681 2HG2 THR 88 HG22 THR 88 -18.311 -11.966 0.433 682 3HG2 THR 88 HG23 THR 88 -17.995 -10.875 1.780 683 H LYS 89 HN LYS 89 -16.402 -10.153 3.812 684 HA LYS 89 HA LYS 89 -18.210 -10.103 6.134 685 1HB LYS 89 HB2 LYS 89 -15.450 -9.865 6.211 686 2HB LYS 89 HB1 LYS 89 -16.003 -8.196 6.260 687 1HG LYS 89 HG2 LYS 89 -17.130 -10.288 8.092 688 2HG LYS 89 HG1 LYS 89 -15.657 -9.400 8.480 689 1HD LYS 89 HD2 LYS 89 -17.168 -7.320 7.882 690 2HD LYS 89 HD1 LYS 89 -18.467 -8.437 8.306 691 1HE LYS 89 HE2 LYS 89 -17.581 -8.754 10.495 692 2HE LYS 89 HE1 LYS 89 -16.098 -7.893 10.083 693 1HZ LYS 89 HZ1 LYS 89 -18.817 -6.718 10.270 694 2HZ LYS 89 HZ2 LYS 89 -17.434 -5.876 9.782 695 3HZ LYS 89 HZ3 LYS 89 -17.544 -6.479 11.361 696 H VAL 90 HN VAL 90 -19.468 -8.299 6.405 697 HA VAL 90 HA VAL 90 -19.368 -6.305 4.237 698 HB VAL 90 HB VAL 90 -21.826 -7.100 5.796 699 1HG1 VAL 90 HG11 VAL 90 -21.953 -4.872 4.885 700 2HG1 VAL 90 HG12 VAL 90 -22.999 -5.943 3.950 701 3HG1 VAL 90 HG13 VAL 90 -21.433 -5.452 3.303 702 1HG2 VAL 90 HG21 VAL 90 -22.494 -8.505 4.033 703 2HG2 VAL 90 HG22 VAL 90 -20.810 -8.926 4.341 704 3HG2 VAL 90 HG23 VAL 90 -21.227 -7.907 2.964 705 H GLY 91 HN GLY 91 -19.683 -4.105 4.757 706 1HA GLY 91 HA2 GLY 91 -19.916 -2.266 6.118 707 2HA GLY 91 HA1 GLY 91 -20.264 -3.337 7.461 708 H ALA 92 HN ALA 92 -18.712 -1.074 7.699 709 HA ALA 92 HA ALA 92 -15.942 -1.512 7.484 710 1HB ALA 92 HB1 ALA 92 -15.812 0.353 9.195 711 2HB ALA 92 HB2 ALA 92 -17.575 0.351 9.186 712 3HB ALA 92 HB3 ALA 92 -16.687 0.714 7.707 713 H LEU 93 HN LEU 93 -14.487 -1.459 9.475 714 HA LEU 93 HA LEU 93 -15.391 -2.794 11.832 715 1HB LEU 93 HB2 LEU 93 -13.693 -4.719 11.399 716 2HB LEU 93 HB1 LEU 93 -15.321 -4.822 10.752 717 HG LEU 93 HG LEU 93 -13.244 -3.632 8.991 718 1HD1 LEU 93 HD11 LEU 93 -12.675 -5.989 8.238 719 2HD1 LEU 93 HD12 LEU 93 -13.334 -6.530 9.781 720 3HD1 LEU 93 HD13 LEU 93 -11.946 -5.443 9.748 721 1HD2 LEU 93 HD21 LEU 93 -15.790 -5.132 8.771 722 2HD2 LEU 93 HD22 LEU 93 -14.605 -5.348 7.483 723 3HD2 LEU 93 HD23 LEU 93 -15.213 -3.737 7.861 724 H SER 94 HN SER 94 -13.854 -2.758 13.489 725 HA SER 94 HA SER 94 -11.902 -0.733 13.305 726 1HB SER 94 HB2 SER 94 -13.142 -1.684 15.391 727 2HB SER 94 HB1 SER 94 -11.820 -2.848 15.435 728 HG SER 94 HG SER 94 -11.023 -1.233 16.611 729 H LYS 95 HN LYS 95 -9.590 -1.329 14.271 730 HA LYS 95 HA LYS 95 -8.291 -2.814 12.207 731 1HB LYS 95 HB2 LYS 95 -7.261 -0.830 13.213 732 2HB LYS 95 HB1 LYS 95 -7.182 -1.644 14.770 733 1HG LYS 95 HG2 LYS 95 -5.315 -2.747 14.226 734 2HG LYS 95 HG1 LYS 95 -5.902 -3.133 12.607 735 1HD LYS 95 HD2 LYS 95 -5.301 -0.917 11.830 736 2HD LYS 95 HD1 LYS 95 -4.802 -0.454 13.458 737 1HE LYS 95 HE2 LYS 95 -3.555 -2.828 12.143 738 2HE LYS 95 HE1 LYS 95 -3.022 -1.206 11.704 739 1HZ LYS 95 HZ1 LYS 95 -3.149 -2.091 14.523 740 2HZ LYS 95 HZ2 LYS 95 -2.292 -0.787 13.867 741 3HZ LYS 95 HZ3 LYS 95 -1.782 -2.372 13.564 742 H GLY 96 HN GLY 96 -9.255 -3.493 15.512 743 1HA GLY 96 HA2 GLY 96 -7.646 -5.843 15.733 744 2HA GLY 96 HA1 GLY 96 -8.918 -5.347 16.829 745 H GLN 97 HN GLN 97 -10.921 -5.187 14.677 746 HA GLN 97 HA GLN 97 -11.715 -7.946 14.729 747 1HB GLN 97 HB2 GLN 97 -13.016 -5.717 13.164 748 2HB GLN 97 HB1 GLN 97 -13.744 -7.231 13.687 749 1HG GLN 97 HG2 GLN 97 -13.498 -6.505 16.027 750 2HG GLN 97 HG1 GLN 97 -12.856 -4.968 15.460 751 1HE2 GLN 97 HE21 GLN 97 -15.681 -7.064 15.372 752 2HE2 GLN 97 HE22 GLN 97 -16.840 -5.802 15.144 753 H LEU 98 HN LEU 98 -10.298 -5.771 12.406 754 HA LEU 98 HA LEU 98 -10.711 -7.448 10.132 755 1HB LEU 98 HB2 LEU 98 -9.893 -4.867 10.445 756 2HB LEU 98 HB1 LEU 98 -8.372 -5.661 10.073 757 HG LEU 98 HG LEU 98 -10.659 -6.314 8.307 758 1HD1 LEU 98 HD11 LEU 98 -10.093 -4.233 6.952 759 2HD1 LEU 98 HD12 LEU 98 -9.400 -3.595 8.443 760 3HD1 LEU 98 HD13 LEU 98 -11.110 -4.020 8.377 761 1HD2 LEU 98 HD21 LEU 98 -8.756 -5.969 6.625 762 2HD2 LEU 98 HD22 LEU 98 -8.651 -7.345 7.721 763 3HD2 LEU 98 HD23 LEU 98 -7.702 -5.893 8.037 764 H LYS 99 HN LYS 99 -7.912 -6.804 12.209 765 HA LYS 99 HA LYS 99 -6.161 -8.648 11.026 766 1HB LYS 99 HB2 LYS 99 -5.900 -6.763 12.935 767 2HB LYS 99 HB1 LYS 99 -5.925 -8.201 13.947 768 1HG LYS 99 HG2 LYS 99 -4.102 -9.126 12.466 769 2HG LYS 99 HG1 LYS 99 -3.980 -7.513 11.762 770 1HD LYS 99 HD2 LYS 99 -2.328 -7.729 13.500 771 2HD LYS 99 HD1 LYS 99 -3.579 -6.605 14.039 772 1HE LYS 99 HE2 LYS 99 -4.569 -8.255 15.444 773 2HE LYS 99 HE1 LYS 99 -3.575 -9.533 14.746 774 1HZ LYS 99 HZ1 LYS 99 -2.939 -8.488 17.020 775 2HZ LYS 99 HZ2 LYS 99 -2.266 -7.259 16.072 776 3HZ LYS 99 HZ3 LYS 99 -1.729 -8.852 15.894 777 H GLU 100 HN GLU 100 -8.454 -9.019 13.717 778 HA GLU 100 HA GLU 100 -7.686 -11.634 14.418 779 1HB GLU 100 HB2 GLU 100 -9.523 -11.689 15.832 780 2HB GLU 100 HB1 GLU 100 -9.234 -9.963 15.681 781 1HG GLU 100 HG2 GLU 100 -11.431 -9.871 15.304 782 2HG GLU 100 HG1 GLU 100 -11.000 -10.361 13.669 783 H PHE 101 HN PHE 101 -9.951 -10.391 12.029 784 HA PHE 101 HA PHE 101 -11.124 -12.835 11.266 785 1HB PHE 101 HB2 PHE 101 -11.905 -10.491 10.663 786 2HB PHE 101 HB1 PHE 101 -10.615 -10.450 9.471 787 HD1 PHE 101 HD1 PHE 101 -12.998 -13.156 10.424 788 HD2 PHE 101 HD2 PHE 101 -11.589 -10.522 7.393 789 HE1 PHE 101 HE1 PHE 101 -14.471 -14.256 8.785 790 HE2 PHE 101 HE2 PHE 101 -13.054 -11.622 5.749 791 HZ PHE 101 HZ PHE 101 -14.496 -13.488 6.446 792 H LEU 102 HN LEU 102 -8.231 -11.113 10.223 793 HA LEU 102 HA LEU 102 -7.551 -12.820 8.072 794 1HB LEU 102 HB2 LEU 102 -6.341 -10.603 9.529 795 2HB LEU 102 HB1 LEU 102 -5.152 -11.795 9.037 796 HG LEU 102 HG LEU 102 -7.033 -10.265 7.244 797 1HD1 LEU 102 HD11 LEU 102 -5.270 -8.843 7.723 798 2HD1 LEU 102 HD12 LEU 102 -4.733 -9.640 6.243 799 3HD1 LEU 102 HD13 LEU 102 -4.098 -10.159 7.803 800 1HD2 LEU 102 HD21 LEU 102 -5.261 -12.616 6.696 801 2HD2 LEU 102 HD22 LEU 102 -5.645 -11.448 5.434 802 3HD2 LEU 102 HD23 LEU 102 -6.936 -12.354 6.220 803 H ASP 103 HN ASP 103 -6.076 -12.574 11.320 804 HA ASP 103 HA ASP 103 -4.453 -14.788 11.217 805 1HB ASP 103 HB2 ASP 103 -5.033 -13.004 13.146 806 2HB ASP 103 HB1 ASP 103 -5.911 -14.394 13.774 807 H ALA 104 HN ALA 104 -7.925 -14.682 11.727 808 HA ALA 104 HA ALA 104 -8.203 -17.407 12.520 809 1HB ALA 104 HB1 ALA 104 -10.423 -15.841 11.278 810 2HB ALA 104 HB2 ALA 104 -9.821 -15.425 12.882 811 3HB ALA 104 HB3 ALA 104 -10.480 -17.032 12.577 812 H ASN 105 HN ASN 105 -7.937 -15.839 9.423 813 HA ASN 105 HA ASN 105 -8.827 -18.321 8.098 814 1HB ASN 105 HB2 ASN 105 -9.692 -15.806 7.623 815 2HB ASN 105 HB1 ASN 105 -8.364 -15.892 6.472 816 1HD2 ASN 105 HD21 ASN 105 -9.801 -15.800 4.741 817 2HD2 ASN 105 HD22 ASN 105 -10.768 -17.156 4.279 818 H LEU 106 HN LEU 106 -6.142 -16.112 8.433 819 HA LEU 106 HA LEU 106 -4.581 -17.014 6.269 820 1HB LEU 106 HB2 LEU 106 -4.123 -14.932 7.441 821 2HB LEU 106 HB1 LEU 106 -3.765 -15.810 8.913 822 HG LEU 106 HG LEU 106 -1.767 -16.758 7.921 823 1HD1 LEU 106 HD11 LEU 106 -1.194 -15.546 5.602 824 2HD1 LEU 106 HD12 LEU 106 -2.944 -15.680 5.441 825 3HD1 LEU 106 HD13 LEU 106 -1.970 -17.126 5.702 826 1HD2 LEU 106 HD21 LEU 106 -0.521 -14.612 7.460 827 2HD2 LEU 106 HD22 LEU 106 -1.399 -14.685 8.989 828 3HD2 LEU 106 HD23 LEU 106 -2.068 -13.781 7.631 829 H VAL 107 HN VAL 107 -4.396 -17.836 9.724 830 HA VAL 107 HA VAL 107 -3.376 -19.547 10.828 831 HB VAL 107 HB VAL 107 -4.107 -21.751 10.222 832 1HG1 VAL 107 HG11 VAL 107 -5.774 -20.256 11.176 833 2HG1 VAL 107 HG12 VAL 107 -6.518 -21.382 10.041 834 3HG1 VAL 107 HG13 VAL 107 -6.225 -19.708 9.561 835 1HG2 VAL 107 HG21 VAL 107 -3.562 -21.492 7.763 836 2HG2 VAL 107 HG22 VAL 107 -5.119 -20.682 7.593 837 3HG2 VAL 107 HG23 VAL 107 -5.054 -22.358 8.134 Start of MODEL 13 1 1H MET 1 HT1 MET 1 2.408 -6.547 -0.715 2 2H MET 1 HT2 MET 1 2.347 -5.090 0.189 3 3H MET 1 HT3 MET 1 3.816 -5.583 -0.548 4 HA MET 1 HA MET 1 2.725 -3.805 -1.732 5 1HB MET 1 HB2 MET 1 3.132 -6.523 -2.942 6 2HB MET 1 HB1 MET 1 2.640 -5.171 -3.949 7 1HG MET 1 HG2 MET 1 4.636 -4.048 -3.649 8 2HG MET 1 HG1 MET 1 5.023 -4.924 -2.169 9 1HE MET 1 HE1 MET 1 7.975 -6.191 -4.135 10 2HE MET 1 HE2 MET 1 7.341 -5.001 -2.998 11 3HE MET 1 HE3 MET 1 7.327 -4.663 -4.729 12 H VAL 2 HN VAL 2 0.947 -2.947 -2.640 13 HA VAL 2 HA VAL 2 -1.524 -4.551 -2.620 14 HB VAL 2 HB VAL 2 -1.240 -1.576 -2.158 15 1HG1 VAL 2 HG11 VAL 2 -3.592 -1.495 -1.800 16 2HG1 VAL 2 HG12 VAL 2 -3.730 -3.247 -1.888 17 3HG1 VAL 2 HG13 VAL 2 -3.335 -2.322 -3.335 18 1HG2 VAL 2 HG21 VAL 2 -2.200 -2.263 0.131 19 2HG2 VAL 2 HG22 VAL 2 -0.491 -2.563 -0.185 20 3HG2 VAL 2 HG23 VAL 2 -1.652 -3.886 -0.290 21 H LYS 3 HN LYS 3 -3.057 -4.153 -4.397 22 HA LYS 3 HA LYS 3 -1.992 -2.430 -6.499 23 1HB LYS 3 HB2 LYS 3 -2.522 -4.368 -8.148 24 2HB LYS 3 HB1 LYS 3 -0.982 -4.333 -7.304 25 1HG LYS 3 HG2 LYS 3 -1.700 -6.007 -5.768 26 2HG LYS 3 HG1 LYS 3 -3.356 -5.930 -6.375 27 1HD LYS 3 HD2 LYS 3 -2.169 -7.884 -7.259 28 2HD LYS 3 HD1 LYS 3 -2.613 -6.760 -8.545 29 1HE LYS 3 HE2 LYS 3 -0.418 -6.030 -8.833 30 2HE LYS 3 HE1 LYS 3 0.085 -6.618 -7.249 31 1HZ LYS 3 HZ1 LYS 3 -0.642 -8.897 -8.409 32 2HZ LYS 3 HZ2 LYS 3 0.933 -8.284 -8.476 33 3HZ LYS 3 HZ3 LYS 3 -0.125 -8.039 -9.773 34 H GLN 4 HN GLN 4 -3.480 -1.236 -7.247 35 HA GLN 4 HA GLN 4 -6.228 -1.625 -6.615 36 1HB GLN 4 HB2 GLN 4 -5.147 0.583 -6.689 37 2HB GLN 4 HB1 GLN 4 -4.856 0.386 -8.411 38 1HG GLN 4 HG2 GLN 4 -6.814 1.315 -8.839 39 2HG GLN 4 HG1 GLN 4 -7.622 0.001 -7.985 40 1HE2 GLN 4 HE21 GLN 4 -8.578 0.405 -6.098 41 2HE2 GLN 4 HE22 GLN 4 -8.553 1.921 -5.269 42 H ILE 5 HN ILE 5 -7.688 -2.741 -7.805 43 HA ILE 5 HA ILE 5 -6.974 -3.451 -10.577 44 HB ILE 5 HB ILE 5 -8.764 -4.842 -8.593 45 1HG1 ILE 5 HG12 ILE 5 -7.288 -6.774 -9.262 46 2HG1 ILE 5 HG11 ILE 5 -6.317 -5.626 -10.181 47 1HG2 ILE 5 HG21 ILE 5 -8.847 -4.895 -11.540 48 2HG2 ILE 5 HG22 ILE 5 -10.115 -5.239 -10.364 49 3HG2 ILE 5 HG23 ILE 5 -8.895 -6.456 -10.731 50 1HD1 ILE 5 HD11 ILE 5 -6.753 -4.729 -7.485 51 2HD1 ILE 5 HD12 ILE 5 -5.247 -4.962 -8.372 52 3HD1 ILE 5 HD13 ILE 5 -6.001 -6.322 -7.536 53 H GLU 6 HN GLU 6 -7.910 -2.267 -12.085 54 HA GLU 6 HA GLU 6 -10.555 -1.146 -11.546 55 1HB GLU 6 HB2 GLU 6 -8.218 -0.224 -13.093 56 2HB GLU 6 HB1 GLU 6 -9.789 0.123 -13.800 57 1HG GLU 6 HG2 GLU 6 -10.378 1.566 -12.136 58 2HG GLU 6 HG1 GLU 6 -9.377 0.761 -10.931 59 H SER 7 HN SER 7 -9.765 -3.929 -12.656 60 HA SER 7 HA SER 7 -11.920 -3.985 -14.577 61 1HB SER 7 HB2 SER 7 -9.065 -4.316 -15.399 62 2HB SER 7 HB1 SER 7 -10.295 -5.302 -16.192 63 HG SER 7 HG SER 7 -9.719 -3.057 -17.033 64 H LYS 8 HN LYS 8 -12.791 -6.058 -14.904 65 HA LYS 8 HA LYS 8 -12.559 -7.838 -12.762 66 1HB LYS 8 HB2 LYS 8 -14.578 -7.652 -14.120 67 2HB LYS 8 HB1 LYS 8 -13.718 -8.287 -15.515 68 1HG LYS 8 HG2 LYS 8 -13.313 -10.260 -13.687 69 2HG LYS 8 HG1 LYS 8 -14.917 -9.681 -13.239 70 1HD LYS 8 HD2 LYS 8 -15.428 -11.285 -14.818 71 2HD LYS 8 HD1 LYS 8 -15.375 -9.823 -15.804 72 1HE LYS 8 HE2 LYS 8 -13.518 -10.477 -16.909 73 2HE LYS 8 HE1 LYS 8 -12.812 -11.238 -15.484 74 1HZ LYS 8 HZ1 LYS 8 -13.359 -12.870 -17.173 75 2HZ LYS 8 HZ2 LYS 8 -14.978 -12.383 -17.164 76 3HZ LYS 8 HZ3 LYS 8 -14.309 -13.113 -15.794 77 H THR 9 HN THR 9 -10.764 -7.625 -15.712 78 HA THR 9 HA THR 9 -9.796 -10.338 -15.631 79 HB THR 9 HB THR 9 -8.565 -8.052 -17.161 80 HG1 THR 9 HG1 THR 9 -10.215 -8.026 -18.446 81 1HG2 THR 9 HG21 THR 9 -7.291 -10.083 -17.286 82 2HG2 THR 9 HG22 THR 9 -8.098 -9.798 -18.829 83 3HG2 THR 9 HG23 THR 9 -8.736 -11.002 -17.709 84 H ALA 10 HN ALA 10 -8.771 -7.199 -14.495 85 HA ALA 10 HA ALA 10 -6.091 -7.873 -13.861 86 1HB ALA 10 HB1 ALA 10 -7.951 -5.657 -13.143 87 2HB ALA 10 HB2 ALA 10 -6.368 -5.594 -13.917 88 3HB ALA 10 HB3 ALA 10 -6.488 -5.867 -12.180 89 H PHE 11 HN PHE 11 -9.114 -7.954 -12.041 90 HA PHE 11 HA PHE 11 -8.141 -8.585 -9.499 91 1HB PHE 11 HB2 PHE 11 -10.534 -8.012 -10.203 92 2HB PHE 11 HB1 PHE 11 -10.694 -9.698 -10.677 93 HD1 PHE 11 HD1 PHE 11 -9.259 -7.925 -7.717 94 HD2 PHE 11 HD2 PHE 11 -11.917 -10.907 -9.178 95 HE1 PHE 11 HE1 PHE 11 -9.851 -8.523 -5.405 96 HE2 PHE 11 HE2 PHE 11 -12.513 -11.513 -6.870 97 HZ PHE 11 HZ PHE 11 -11.478 -10.320 -4.980 98 H GLN 12 HN GLN 12 -8.983 -10.706 -12.196 99 HA GLN 12 HA GLN 12 -8.417 -13.122 -10.801 100 1HB GLN 12 HB2 GLN 12 -8.234 -12.782 -13.796 101 2HB GLN 12 HB1 GLN 12 -8.620 -14.239 -12.892 102 1HG GLN 12 HG2 GLN 12 -10.425 -11.907 -12.581 103 2HG GLN 12 HG1 GLN 12 -10.473 -12.790 -14.104 104 1HE2 GLN 12 HE21 GLN 12 -10.053 -13.825 -10.736 105 2HE2 GLN 12 HE22 GLN 12 -11.383 -14.927 -10.724 106 H GLU 13 HN GLU 13 -6.542 -10.953 -12.837 107 HA GLU 13 HA GLU 13 -4.208 -12.445 -13.103 108 1HB GLU 13 HB2 GLU 13 -4.972 -9.604 -13.308 109 2HB GLU 13 HB1 GLU 13 -3.270 -9.889 -12.972 110 1HG GLU 13 HG2 GLU 13 -3.095 -11.283 -14.949 111 2HG GLU 13 HG1 GLU 13 -4.814 -11.061 -15.274 112 H ALA 14 HN ALA 14 -5.110 -10.076 -10.597 113 HA ALA 14 HA ALA 14 -2.717 -10.323 -9.115 114 1HB ALA 14 HB1 ALA 14 -3.850 -9.087 -7.392 115 2HB ALA 14 HB2 ALA 14 -5.421 -9.456 -8.104 116 3HB ALA 14 HB3 ALA 14 -4.289 -8.409 -8.961 117 H LEU 15 HN LEU 15 -5.779 -12.053 -9.042 118 HA LEU 15 HA LEU 15 -5.353 -13.389 -6.579 119 1HB LEU 15 HB2 LEU 15 -7.145 -13.830 -8.938 120 2HB LEU 15 HB1 LEU 15 -7.020 -15.070 -7.708 121 HG LEU 15 HG LEU 15 -7.899 -12.218 -7.239 122 1HD1 LEU 15 HD11 LEU 15 -9.660 -14.567 -6.795 123 2HD1 LEU 15 HD12 LEU 15 -9.392 -14.038 -8.456 124 3HD1 LEU 15 HD13 LEU 15 -10.066 -12.918 -7.271 125 1HD2 LEU 15 HD21 LEU 15 -7.199 -14.456 -5.435 126 2HD2 LEU 15 HD22 LEU 15 -8.651 -13.537 -5.036 127 3HD2 LEU 15 HD23 LEU 15 -7.097 -12.714 -5.178 128 H ASP 16 HN ASP 16 -4.558 -14.175 -9.929 129 HA ASP 16 HA ASP 16 -3.669 -16.815 -9.484 130 1HB ASP 16 HB2 ASP 16 -4.096 -15.368 -11.700 131 2HB ASP 16 HB1 ASP 16 -2.347 -15.191 -11.596 132 H ALA 17 HN ALA 17 -2.136 -13.695 -9.110 133 HA ALA 17 HA ALA 17 0.523 -14.725 -8.827 134 1HB ALA 17 HB1 ALA 17 -0.462 -12.264 -9.347 135 2HB ALA 17 HB2 ALA 17 1.177 -12.570 -8.773 136 3HB ALA 17 HB3 ALA 17 -0.084 -12.105 -7.631 137 H ALA 18 HN ALA 18 -2.192 -14.333 -6.739 138 HA ALA 18 HA ALA 18 -0.753 -14.222 -4.277 139 1HB ALA 18 HB1 ALA 18 -3.622 -14.871 -4.905 140 2HB ALA 18 HB2 ALA 18 -2.959 -13.368 -4.265 141 3HB ALA 18 HB3 ALA 18 -2.971 -14.822 -3.267 142 H GLY 19 HN GLY 19 -2.039 -16.928 -6.275 143 1HA GLY 19 HA2 GLY 19 -1.659 -19.148 -6.096 144 2HA GLY 19 HA1 GLY 19 -0.211 -18.727 -5.196 145 H ASP 20 HN ASP 20 -0.090 -19.633 -3.293 146 HA ASP 20 HA ASP 20 -2.500 -20.646 -2.006 147 1HB ASP 20 HB2 ASP 20 -0.153 -21.843 -2.382 148 2HB ASP 20 HB1 ASP 20 0.217 -21.058 -0.851 149 H LYS 21 HN LYS 21 -0.961 -17.766 -1.944 150 HA LYS 21 HA LYS 21 -0.815 -17.334 0.884 151 1HB LYS 21 HB2 LYS 21 -0.655 -15.467 -1.489 152 2HB LYS 21 HB1 LYS 21 -0.445 -14.950 0.179 153 1HG LYS 21 HG2 LYS 21 1.504 -16.371 0.406 154 2HG LYS 21 HG1 LYS 21 1.267 -16.990 -1.230 155 1HD LYS 21 HD2 LYS 21 1.851 -14.946 -2.211 156 2HD LYS 21 HD1 LYS 21 1.618 -14.056 -0.705 157 1HE LYS 21 HE2 LYS 21 3.662 -14.614 0.098 158 2HE LYS 21 HE1 LYS 21 3.654 -16.196 -0.678 159 1HZ LYS 21 HZ1 LYS 21 3.769 -14.008 -2.539 160 2HZ LYS 21 HZ2 LYS 21 4.724 -15.402 -2.450 161 3HZ LYS 21 HZ3 LYS 21 5.098 -14.059 -1.492 162 H LEU 22 HN LEU 22 -2.246 -16.034 2.108 163 HA LEU 22 HA LEU 22 -4.982 -16.260 1.343 164 1HB LEU 22 HB2 LEU 22 -4.320 -16.445 3.666 165 2HB LEU 22 HB1 LEU 22 -3.620 -14.842 3.633 166 HG LEU 22 HG LEU 22 -5.666 -13.787 3.777 167 1HD1 LEU 22 HD11 LEU 22 -7.783 -15.431 3.424 168 2HD1 LEU 22 HD12 LEU 22 -6.644 -16.105 2.262 169 3HD1 LEU 22 HD13 LEU 22 -7.101 -14.405 2.163 170 1HD2 LEU 22 HD21 LEU 22 -5.091 -15.536 5.672 171 2HD2 LEU 22 HD22 LEU 22 -6.609 -16.252 5.130 172 3HD2 LEU 22 HD23 LEU 22 -6.575 -14.584 5.704 173 H VAL 23 HN VAL 23 -6.189 -14.837 0.236 174 HA VAL 23 HA VAL 23 -5.042 -12.178 -0.246 175 HB VAL 23 HB VAL 23 -7.220 -13.403 -1.895 176 1HG1 VAL 23 HG11 VAL 23 -5.553 -11.781 -3.436 177 2HG1 VAL 23 HG12 VAL 23 -5.756 -10.925 -1.907 178 3HG1 VAL 23 HG13 VAL 23 -7.171 -11.395 -2.848 179 1HG2 VAL 23 HG21 VAL 23 -4.340 -14.021 -1.901 180 2HG2 VAL 23 HG22 VAL 23 -5.084 -13.732 -3.473 181 3HG2 VAL 23 HG23 VAL 23 -5.713 -14.999 -2.421 182 H VAL 24 HN VAL 24 -5.820 -10.747 1.076 183 HA VAL 24 HA VAL 24 -8.695 -10.779 1.685 184 HB VAL 24 HB VAL 24 -7.233 -10.797 3.681 185 1HG1 VAL 24 HG11 VAL 24 -6.312 -8.042 2.941 186 2HG1 VAL 24 HG12 VAL 24 -5.390 -9.478 2.498 187 3HG1 VAL 24 HG13 VAL 24 -5.700 -9.117 4.195 188 1HG2 VAL 24 HG21 VAL 24 -9.456 -9.347 3.315 189 2HG2 VAL 24 HG22 VAL 24 -8.334 -8.058 3.751 190 3HG2 VAL 24 HG23 VAL 24 -8.590 -9.413 4.850 191 H VAL 25 HN VAL 25 -9.838 -9.431 0.501 192 HA VAL 25 HA VAL 25 -8.522 -6.976 -0.428 193 HB VAL 25 HB VAL 25 -10.085 -7.162 -2.456 194 1HG1 VAL 25 HG11 VAL 25 -7.530 -7.754 -2.143 195 2HG1 VAL 25 HG12 VAL 25 -8.389 -8.080 -3.650 196 3HG1 VAL 25 HG13 VAL 25 -8.116 -9.379 -2.495 197 1HG2 VAL 25 HG21 VAL 25 -11.517 -8.870 -2.400 198 2HG2 VAL 25 HG22 VAL 25 -10.630 -9.687 -1.117 199 3HG2 VAL 25 HG23 VAL 25 -10.127 -9.879 -2.794 200 H ASP 26 HN ASP 26 -10.100 -5.287 -1.125 201 HA ASP 26 HA ASP 26 -12.495 -5.295 0.579 202 1HB ASP 26 HB2 ASP 26 -10.527 -4.068 1.619 203 2HB ASP 26 HB1 ASP 26 -10.695 -2.888 0.323 204 H PHE 27 HN PHE 27 -14.285 -4.481 -0.305 205 HA PHE 27 HA PHE 27 -14.101 -3.401 -3.035 206 1HB PHE 27 HB2 PHE 27 -16.158 -4.912 -1.507 207 2HB PHE 27 HB1 PHE 27 -16.748 -3.724 -2.669 208 HD1 PHE 27 HD1 PHE 27 -14.703 -6.756 -2.262 209 HD2 PHE 27 HD2 PHE 27 -16.595 -4.112 -5.010 210 HE1 PHE 27 HE1 PHE 27 -14.258 -8.343 -4.087 211 HE2 PHE 27 HE2 PHE 27 -16.161 -5.700 -6.841 212 HZ PHE 27 HZ PHE 27 -14.989 -7.817 -6.380 213 H SER 28 HN SER 28 -13.974 -1.220 -3.061 214 HA SER 28 HA SER 28 -15.695 0.276 -1.193 215 1HB SER 28 HB2 SER 28 -12.961 1.205 -2.057 216 2HB SER 28 HB1 SER 28 -13.980 1.874 -0.782 217 HG SER 28 HG SER 28 -12.220 0.444 -0.096 218 H ALA 29 HN ALA 29 -16.248 2.420 -1.802 219 HA ALA 29 HA ALA 29 -16.391 2.802 -4.727 220 1HB ALA 29 HB1 ALA 29 -18.520 2.346 -3.250 221 2HB ALA 29 HB2 ALA 29 -18.561 3.524 -4.562 222 3HB ALA 29 HB3 ALA 29 -18.371 4.068 -2.895 223 H THR 30 HN THR 30 -16.414 5.029 -5.487 224 HA THR 30 HA THR 30 -14.470 6.669 -4.174 225 HB THR 30 HB THR 30 -16.316 7.494 -6.416 226 HG1 THR 30 HG1 THR 30 -15.176 6.349 -7.773 227 1HG2 THR 30 HG21 THR 30 -13.752 8.421 -6.898 228 2HG2 THR 30 HG22 THR 30 -14.015 8.697 -5.176 229 3HG2 THR 30 HG23 THR 30 -15.141 9.364 -6.359 230 H TRP 31 HN TRP 31 -17.927 6.600 -4.502 231 HA TRP 31 HA TRP 31 -18.380 9.120 -3.147 232 1HB TRP 31 HB2 TRP 31 -20.771 8.566 -3.489 233 2HB TRP 31 HB1 TRP 31 -19.850 8.442 -4.985 234 HD1 TRP 31 HD1 TRP 31 -19.131 5.808 -5.684 235 HE1 TRP 31 HE1 TRP 31 -20.472 3.627 -5.347 236 HE3 TRP 31 HE3 TRP 31 -22.503 7.425 -2.189 237 HZ2 TRP 31 HZ2 TRP 31 -22.680 2.739 -3.876 238 HZ3 TRP 31 HZ3 TRP 31 -24.203 5.841 -1.379 239 HH2 TRP 31 HH2 TRP 31 -24.288 3.546 -2.207 240 H CYS 32 HN CYS 32 -17.293 6.392 -1.903 241 HA CYS 32 HA CYS 32 -19.182 6.216 0.321 242 1HB CYS 32 HB2 CYS 32 -18.423 4.110 -0.787 243 2HB CYS 32 HB1 CYS 32 -16.783 4.464 -0.252 244 H GLY 33 HN GLY 33 -18.548 6.479 2.470 245 1HA GLY 33 HA2 GLY 33 -16.154 8.164 2.781 246 2HA GLY 33 HA1 GLY 33 -17.543 8.161 3.857 247 HA PRO 34 HA PRO 34 -15.863 5.271 6.713 248 1HB PRO 34 HB2 PRO 34 -17.774 3.169 5.805 249 2HB PRO 34 HB1 PRO 34 -17.449 3.764 7.437 250 1HG PRO 34 HG2 PRO 34 -19.660 4.493 6.149 251 2HG PRO 34 HG1 PRO 34 -18.770 5.653 7.154 252 1HD PRO 34 HD2 PRO 34 -18.872 5.404 4.182 253 2HD PRO 34 HD1 PRO 34 -18.762 6.860 5.192 254 H CYS 35 HN CYS 35 -16.344 4.182 3.431 255 HA CYS 35 HA CYS 35 -14.812 1.823 3.509 256 1HB CYS 35 HB2 CYS 35 -15.282 3.724 1.197 257 2HB CYS 35 HB1 CYS 35 -14.642 2.092 1.055 258 H LYS 36 HN LYS 36 -13.930 5.183 2.809 259 HA LYS 36 HA LYS 36 -11.206 4.641 2.212 260 1HB LYS 36 HB2 LYS 36 -12.692 7.148 2.969 261 2HB LYS 36 HB1 LYS 36 -10.959 7.142 2.671 262 1HG LYS 36 HG2 LYS 36 -11.201 6.868 0.435 263 2HG LYS 36 HG1 LYS 36 -12.684 5.927 0.600 264 1HD LYS 36 HD2 LYS 36 -13.164 8.078 -0.417 265 2HD LYS 36 HD1 LYS 36 -13.903 7.981 1.182 266 1HE LYS 36 HE2 LYS 36 -12.487 9.531 2.085 267 2HE LYS 36 HE1 LYS 36 -11.175 9.137 0.974 268 1HZ LYS 36 HZ1 LYS 36 -11.943 10.561 -0.584 269 2HZ LYS 36 HZ2 LYS 36 -12.605 11.341 0.763 270 3HZ LYS 36 HZ3 LYS 36 -13.570 10.326 -0.185 271 H MET 37 HN MET 37 -12.977 4.986 5.151 272 HA MET 37 HA MET 37 -10.815 5.757 6.829 273 1HB MET 37 HB2 MET 37 -13.411 4.357 7.497 274 2HB MET 37 HB1 MET 37 -12.292 5.016 8.683 275 1HG MET 37 HG2 MET 37 -13.173 6.893 6.600 276 2HG MET 37 HG1 MET 37 -14.428 6.335 7.705 277 1HE MET 37 HE1 MET 37 -14.796 7.705 10.093 278 2HE MET 37 HE2 MET 37 -14.997 8.472 8.518 279 3HE MET 37 HE3 MET 37 -14.155 9.323 9.813 280 H ILE 38 HN ILE 38 -11.797 2.768 5.421 281 HA ILE 38 HA ILE 38 -10.337 1.122 7.315 282 HB ILE 38 HB ILE 38 -11.553 0.314 4.671 283 1HG1 ILE 38 HG12 ILE 38 -13.156 1.367 6.349 284 2HG1 ILE 38 HG11 ILE 38 -13.560 -0.255 5.796 285 1HG2 ILE 38 HG21 ILE 38 -10.750 -1.314 7.079 286 2HG2 ILE 38 HG22 ILE 38 -9.916 -1.265 5.526 287 3HG2 ILE 38 HG23 ILE 38 -11.543 -1.939 5.632 288 1HD1 ILE 38 HD11 ILE 38 -13.961 -0.178 8.124 289 2HD1 ILE 38 HD12 ILE 38 -12.386 0.549 8.441 290 3HD1 ILE 38 HD13 ILE 38 -12.491 -1.124 7.891 291 H LYS 39 HN LYS 39 -9.748 2.764 4.332 292 HA LYS 39 HA LYS 39 -7.781 1.243 3.138 293 1HB LYS 39 HB2 LYS 39 -8.825 3.800 2.796 294 2HB LYS 39 HB1 LYS 39 -7.112 4.073 3.083 295 1HG LYS 39 HG2 LYS 39 -6.620 2.421 1.285 296 2HG LYS 39 HG1 LYS 39 -8.349 2.367 0.938 297 1HD LYS 39 HD2 LYS 39 -7.925 5.036 0.914 298 2HD LYS 39 HD1 LYS 39 -6.357 4.456 0.343 299 1HE LYS 39 HE2 LYS 39 -7.330 3.345 -1.498 300 2HE LYS 39 HE1 LYS 39 -8.954 3.495 -0.829 301 1HZ LYS 39 HZ1 LYS 39 -9.089 5.699 -1.417 302 2HZ LYS 39 HZ2 LYS 39 -8.190 5.076 -2.707 303 3HZ LYS 39 HZ3 LYS 39 -7.411 5.919 -1.465 304 HA PRO 40 HA PRO 40 -4.506 3.781 5.893 305 1HB PRO 40 HB2 PRO 40 -6.313 3.895 8.268 306 2HB PRO 40 HB1 PRO 40 -5.052 5.026 7.760 307 1HG PRO 40 HG2 PRO 40 -7.620 5.598 7.371 308 2HG PRO 40 HG1 PRO 40 -6.401 6.013 6.153 309 1HD PRO 40 HD2 PRO 40 -8.431 3.835 6.137 310 2HD PRO 40 HD1 PRO 40 -7.759 4.766 4.785 311 H PHE 41 HN PHE 41 -6.891 1.776 7.649 312 HA PHE 41 HA PHE 41 -4.847 0.309 9.016 313 1HB PHE 41 HB2 PHE 41 -7.751 -0.466 8.732 314 2HB PHE 41 HB1 PHE 41 -6.631 -0.942 10.003 315 HD1 PHE 41 HD1 PHE 41 -5.430 1.415 10.966 316 HD2 PHE 41 HD2 PHE 41 -9.405 0.884 9.546 317 HE1 PHE 41 HE1 PHE 41 -6.168 3.327 12.326 318 HE2 PHE 41 HE2 PHE 41 -10.151 2.796 10.902 319 HZ PHE 41 HZ PHE 41 -8.530 4.021 12.294 320 H PHE 42 HN PHE 42 -6.686 -0.165 6.061 321 HA PHE 42 HA PHE 42 -6.176 -2.943 5.804 322 1HB PHE 42 HB2 PHE 42 -7.858 -1.371 4.517 323 2HB PHE 42 HB1 PHE 42 -6.504 -1.174 3.410 324 HD1 PHE 42 HD1 PHE 42 -8.522 -3.822 5.084 325 HD2 PHE 42 HD2 PHE 42 -6.196 -2.694 1.701 326 HE1 PHE 42 HE1 PHE 42 -9.121 -5.934 3.971 327 HE2 PHE 42 HE2 PHE 42 -6.796 -4.799 0.582 328 HZ PHE 42 HZ PHE 42 -8.258 -6.424 1.716 329 H HIS 43 HN HIS 43 -4.588 -0.046 4.516 330 HA HIS 43 HA HIS 43 -2.589 -1.463 3.104 331 1HB HIS 43 HB2 HIS 43 -3.399 1.164 3.213 332 2HB HIS 43 HB1 HIS 43 -1.803 1.219 3.959 333 HD1 HIS 43 HD1 HIS 43 -3.147 1.786 0.810 334 HD2 HIS 43 HD2 HIS 43 -0.026 -0.608 2.142 335 HE1 HIS 43 HE1 HIS 43 -1.697 1.318 -1.211 336 H SER 44 HN SER 44 -2.594 0.020 6.363 337 HA SER 44 HA SER 44 0.111 -0.373 6.914 338 1HB SER 44 HB2 SER 44 -2.354 -0.014 8.552 339 2HB SER 44 HB1 SER 44 -0.903 -0.594 9.371 340 HG SER 44 HG SER 44 -1.175 1.747 9.279 341 H LEU 45 HN LEU 45 -2.675 -2.503 7.434 342 HA LEU 45 HA LEU 45 -1.321 -4.578 8.737 343 1HB LEU 45 HB2 LEU 45 -3.730 -4.632 6.918 344 2HB LEU 45 HB1 LEU 45 -3.163 -6.034 7.804 345 HG LEU 45 HG LEU 45 -3.830 -3.513 9.280 346 1HD1 LEU 45 HD11 LEU 45 -6.108 -4.017 9.388 347 2HD1 LEU 45 HD12 LEU 45 -5.877 -5.632 8.719 348 3HD1 LEU 45 HD13 LEU 45 -5.705 -4.216 7.683 349 1HD2 LEU 45 HD21 LEU 45 -4.638 -5.519 10.831 350 2HD2 LEU 45 HD22 LEU 45 -2.964 -4.964 10.804 351 3HD2 LEU 45 HD23 LEU 45 -3.436 -6.390 9.880 352 H SER 46 HN SER 46 -1.798 -3.868 5.307 353 HA SER 46 HA SER 46 -0.782 -6.186 4.180 354 1HB SER 46 HB2 SER 46 -1.870 -4.370 2.896 355 2HB SER 46 HB1 SER 46 -0.448 -3.359 3.146 356 HG SER 46 HG SER 46 0.715 -4.642 1.828 357 H GLU 47 HN GLU 47 0.895 -3.569 5.783 358 HA GLU 47 HA GLU 47 3.484 -4.440 4.794 359 1HB GLU 47 HB2 GLU 47 2.457 -2.118 6.333 360 2HB GLU 47 HB1 GLU 47 4.116 -2.606 6.649 361 1HG GLU 47 HG2 GLU 47 4.579 -2.426 4.223 362 2HG GLU 47 HG1 GLU 47 2.943 -1.808 3.997 363 H LYS 48 HN LYS 48 1.393 -5.085 7.406 364 HA LYS 48 HA LYS 48 3.556 -6.007 9.140 365 1HB LYS 48 HB2 LYS 48 1.416 -4.710 9.884 366 2HB LYS 48 HB1 LYS 48 0.625 -6.274 9.755 367 1HG LYS 48 HG2 LYS 48 2.505 -7.114 11.298 368 2HG LYS 48 HG1 LYS 48 2.780 -5.404 11.638 369 1HD LYS 48 HD2 LYS 48 1.226 -5.680 13.236 370 2HD LYS 48 HD1 LYS 48 0.071 -5.596 11.905 371 1HE LYS 48 HE2 LYS 48 -0.609 -7.555 12.846 372 2HE LYS 48 HE1 LYS 48 0.627 -8.184 11.757 373 1HZ LYS 48 HZ1 LYS 48 1.502 -7.382 14.419 374 2HZ LYS 48 HZ2 LYS 48 2.006 -8.681 13.460 375 3HZ LYS 48 HZ3 LYS 48 0.553 -8.780 14.323 376 H TYR 49 HN TYR 49 1.319 -7.153 6.827 377 HA TYR 49 HA TYR 49 1.614 -9.941 7.698 378 1HB TYR 49 HB2 TYR 49 -0.338 -8.483 5.967 379 2HB TYR 49 HB1 TYR 49 -0.089 -10.208 5.710 380 HD1 TYR 49 HD1 TYR 49 -1.139 -11.779 7.081 381 HD2 TYR 49 HD2 TYR 49 -0.973 -7.713 8.318 382 HE1 TYR 49 HE1 TYR 49 -2.640 -12.296 8.956 383 HE2 TYR 49 HE2 TYR 49 -2.479 -8.215 10.194 384 HH TYR 49 HH TYR 49 -3.131 -11.309 11.246 385 H SER 50 HN SER 50 3.615 -10.568 6.974 386 HA SER 50 HA SER 50 4.392 -10.045 4.214 387 1HB SER 50 HB2 SER 50 5.864 -10.152 6.493 388 2HB SER 50 HB1 SER 50 6.091 -11.793 5.888 389 HG SER 50 HG SER 50 7.541 -9.942 5.147 390 H ASN 51 HN ASN 51 2.149 -11.609 4.259 391 HA ASN 51 HA ASN 51 3.118 -14.002 2.984 392 1HB ASN 51 HB2 ASN 51 2.639 -14.333 5.608 393 2HB ASN 51 HB1 ASN 51 1.010 -14.594 4.987 394 1HD2 ASN 51 HD21 ASN 51 1.234 -16.768 5.749 395 2HD2 ASN 51 HD22 ASN 51 2.094 -17.931 4.804 396 H VAL 52 HN VAL 52 0.435 -11.960 3.957 397 HA VAL 52 HA VAL 52 -1.282 -13.107 1.890 398 HB VAL 52 HB VAL 52 -3.094 -11.917 2.892 399 1HG1 VAL 52 HG11 VAL 52 -1.853 -13.901 4.147 400 2HG1 VAL 52 HG12 VAL 52 -3.263 -13.093 4.831 401 3HG1 VAL 52 HG13 VAL 52 -1.644 -12.648 5.371 402 1HG2 VAL 52 HG21 VAL 52 -0.925 -10.274 4.025 403 2HG2 VAL 52 HG22 VAL 52 -2.329 -10.534 5.061 404 3HG2 VAL 52 HG23 VAL 52 -2.529 -9.813 3.464 405 H ILE 53 HN ILE 53 -2.384 -11.743 0.367 406 HA ILE 53 HA ILE 53 -0.785 -9.396 -0.413 407 HB ILE 53 HB ILE 53 -1.315 -11.577 -1.902 408 1HG1 ILE 53 HG12 ILE 53 -1.053 -9.956 -3.922 409 2HG1 ILE 53 HG11 ILE 53 -0.888 -8.718 -2.680 410 1HG2 ILE 53 HG21 ILE 53 -3.764 -11.112 -1.853 411 2HG2 ILE 53 HG22 ILE 53 -3.074 -11.244 -3.470 412 3HG2 ILE 53 HG23 ILE 53 -3.451 -9.657 -2.798 413 1HD1 ILE 53 HD11 ILE 53 1.099 -9.613 -1.886 414 2HD1 ILE 53 HD12 ILE 53 1.229 -9.848 -3.629 415 3HD1 ILE 53 HD13 ILE 53 0.780 -11.199 -2.588 416 H PHE 54 HN PHE 54 -1.635 -7.505 0.113 417 HA PHE 54 HA PHE 54 -4.533 -7.238 0.445 418 1HB PHE 54 HB2 PHE 54 -2.153 -5.662 1.322 419 2HB PHE 54 HB1 PHE 54 -3.673 -4.834 1.126 420 HD1 PHE 54 HD1 PHE 54 -2.612 -8.103 2.622 421 HD2 PHE 54 HD2 PHE 54 -4.794 -4.471 3.058 422 HE1 PHE 54 HE1 PHE 54 -3.365 -8.811 4.856 423 HE2 PHE 54 HE2 PHE 54 -5.543 -5.183 5.289 424 HZ PHE 54 HZ PHE 54 -4.827 -7.359 6.187 425 H LEU 55 HN LEU 55 -5.719 -6.448 -1.201 426 HA LEU 55 HA LEU 55 -4.455 -4.445 -2.905 427 1HB LEU 55 HB2 LEU 55 -4.922 -5.466 -4.852 428 2HB LEU 55 HB1 LEU 55 -4.596 -6.868 -3.846 429 HG LEU 55 HG LEU 55 -7.218 -6.716 -3.521 430 1HD1 LEU 55 HD11 LEU 55 -8.237 -5.347 -4.907 431 2HD1 LEU 55 HD12 LEU 55 -7.518 -6.187 -6.276 432 3HD1 LEU 55 HD13 LEU 55 -6.678 -4.824 -5.538 433 1HD2 LEU 55 HD21 LEU 55 -7.397 -8.447 -5.214 434 2HD2 LEU 55 HD22 LEU 55 -5.878 -8.634 -4.340 435 3HD2 LEU 55 HD23 LEU 55 -5.886 -7.913 -5.948 436 H GLU 56 HN GLU 56 -6.143 -3.283 -4.296 437 HA GLU 56 HA GLU 56 -8.569 -2.900 -2.658 438 1HB GLU 56 HB2 GLU 56 -6.680 -1.107 -2.804 439 2HB GLU 56 HB1 GLU 56 -7.402 -0.760 -4.369 440 1HG GLU 56 HG2 GLU 56 -8.776 0.619 -3.299 441 2HG GLU 56 HG1 GLU 56 -9.574 -0.820 -2.672 442 H VAL 57 HN VAL 57 -10.428 -3.250 -3.650 443 HA VAL 57 HA VAL 57 -10.478 -3.071 -6.593 444 HB VAL 57 HB VAL 57 -12.551 -4.548 -5.008 445 1HG1 VAL 57 HG11 VAL 57 -11.459 -4.808 -7.799 446 2HG1 VAL 57 HG12 VAL 57 -12.958 -4.002 -7.337 447 3HG1 VAL 57 HG13 VAL 57 -12.789 -5.743 -7.116 448 1HG2 VAL 57 HG21 VAL 57 -10.236 -5.407 -4.414 449 2HG2 VAL 57 HG22 VAL 57 -10.080 -5.877 -6.108 450 3HG2 VAL 57 HG23 VAL 57 -11.350 -6.583 -5.108 451 H ASP 58 HN ASP 58 -11.498 -1.343 -7.338 452 HA ASP 58 HA ASP 58 -13.448 0.037 -5.655 453 1HB ASP 58 HB2 ASP 58 -11.719 1.394 -6.723 454 2HB ASP 58 HB1 ASP 58 -12.183 0.777 -8.306 455 H VAL 59 HN VAL 59 -15.504 -0.623 -5.829 456 HA VAL 59 HA VAL 59 -16.484 -2.267 -7.844 457 HB VAL 59 HB VAL 59 -17.547 -2.064 -5.643 458 1HG1 VAL 59 HG11 VAL 59 -17.423 0.277 -5.219 459 2HG1 VAL 59 HG12 VAL 59 -19.131 -0.160 -5.271 460 3HG1 VAL 59 HG13 VAL 59 -18.385 0.648 -6.650 461 1HG2 VAL 59 HG21 VAL 59 -18.710 -2.714 -7.919 462 2HG2 VAL 59 HG22 VAL 59 -19.690 -1.295 -7.550 463 3HG2 VAL 59 HG23 VAL 59 -19.617 -2.639 -6.409 464 H ASP 60 HN ASP 60 -15.987 1.114 -7.880 465 HA ASP 60 HA ASP 60 -17.951 1.890 -9.760 466 1HB ASP 60 HB2 ASP 60 -15.905 3.125 -8.290 467 2HB ASP 60 HB1 ASP 60 -15.487 3.411 -9.974 468 H ASP 61 HN ASP 61 -14.694 0.609 -10.049 469 HA ASP 61 HA ASP 61 -14.913 0.639 -12.983 470 1HB ASP 61 HB2 ASP 61 -12.486 0.088 -11.269 471 2HB ASP 61 HB1 ASP 61 -12.510 0.223 -13.026 472 H ALA 62 HN ALA 62 -14.306 -1.512 -10.250 473 HA ALA 62 HA ALA 62 -14.264 -3.815 -12.011 474 1HB ALA 62 HB1 ALA 62 -14.266 -4.090 -9.046 475 2HB ALA 62 HB2 ALA 62 -12.847 -3.402 -9.836 476 3HB ALA 62 HB3 ALA 62 -13.397 -5.022 -10.266 477 H GLN 63 HN GLN 63 -16.601 -2.595 -12.327 478 HA GLN 63 HA GLN 63 -18.648 -3.556 -10.574 479 1HB GLN 63 HB2 GLN 63 -18.458 -1.768 -12.839 480 2HB GLN 63 HB1 GLN 63 -19.832 -2.847 -13.021 481 1HG GLN 63 HG2 GLN 63 -19.692 -1.820 -10.337 482 2HG GLN 63 HG1 GLN 63 -19.681 -0.506 -11.507 483 1HE2 GLN 63 HE21 GLN 63 -21.505 -0.162 -12.791 484 2HE2 GLN 63 HE22 GLN 63 -23.025 -0.902 -12.449 485 H ASP 64 HN ASP 64 -16.798 -5.083 -12.893 486 HA ASP 64 HA ASP 64 -18.918 -6.842 -13.839 487 1HB ASP 64 HB2 ASP 64 -16.108 -6.283 -14.609 488 2HB ASP 64 HB1 ASP 64 -16.661 -7.938 -14.848 489 H VAL 65 HN VAL 65 -16.391 -6.739 -11.471 490 HA VAL 65 HA VAL 65 -16.340 -9.587 -11.037 491 HB VAL 65 HB VAL 65 -14.924 -8.994 -9.028 492 1HG1 VAL 65 HG11 VAL 65 -13.839 -9.648 -11.034 493 2HG1 VAL 65 HG12 VAL 65 -13.003 -8.208 -10.451 494 3HG1 VAL 65 HG13 VAL 65 -14.148 -8.083 -11.786 495 1HG2 VAL 65 HG21 VAL 65 -15.019 -6.224 -10.207 496 2HG2 VAL 65 HG22 VAL 65 -14.067 -6.755 -8.824 497 3HG2 VAL 65 HG23 VAL 65 -15.824 -6.705 -8.715 498 H ALA 66 HN ALA 66 -17.566 -6.758 -9.179 499 HA ALA 66 HA ALA 66 -18.480 -7.990 -6.940 500 1HB ALA 66 HB1 ALA 66 -18.980 -5.844 -6.644 501 2HB ALA 66 HB2 ALA 66 -20.480 -6.159 -7.515 502 3HB ALA 66 HB3 ALA 66 -19.068 -5.553 -8.381 503 HA PRO 67 HA PRO 67 -22.863 -8.737 -9.116 504 1HB PRO 67 HB2 PRO 67 -21.756 -9.125 -11.860 505 2HB PRO 67 HB1 PRO 67 -23.309 -8.446 -11.356 506 1HG PRO 67 HG2 PRO 67 -21.359 -6.840 -12.162 507 2HG PRO 67 HG1 PRO 67 -22.372 -6.393 -10.782 508 1HD PRO 67 HD2 PRO 67 -19.580 -7.449 -10.833 509 2HD PRO 67 HD1 PRO 67 -20.309 -6.228 -9.771 510 H LYS 68 HN LYS 68 -19.838 -10.241 -10.016 511 HA LYS 68 HA LYS 68 -20.993 -12.834 -10.478 512 1HB LYS 68 HB2 LYS 68 -18.270 -11.673 -10.515 513 2HB LYS 68 HB1 LYS 68 -18.387 -13.398 -10.184 514 1HG LYS 68 HG2 LYS 68 -19.283 -13.874 -12.256 515 2HG LYS 68 HG1 LYS 68 -19.864 -12.225 -12.496 516 1HD LYS 68 HD2 LYS 68 -17.924 -11.551 -13.398 517 2HD LYS 68 HD1 LYS 68 -16.958 -12.434 -12.212 518 1HE LYS 68 HE2 LYS 68 -16.545 -13.343 -14.405 519 2HE LYS 68 HE1 LYS 68 -17.435 -14.524 -13.445 520 1HZ LYS 68 HZ1 LYS 68 -19.479 -13.418 -14.570 521 2HZ LYS 68 HZ2 LYS 68 -18.575 -14.571 -15.416 522 3HZ LYS 68 HZ3 LYS 68 -18.351 -12.925 -15.732 523 H TYR 69 HN TYR 69 -19.908 -11.093 -7.684 524 HA TYR 69 HA TYR 69 -19.837 -13.568 -6.080 525 1HB TYR 69 HB2 TYR 69 -18.820 -10.784 -5.484 526 2HB TYR 69 HB1 TYR 69 -18.729 -12.153 -4.391 527 HD1 TYR 69 HD1 TYR 69 -17.599 -14.323 -5.565 528 HD2 TYR 69 HD2 TYR 69 -16.921 -10.266 -6.651 529 HE1 TYR 69 HE1 TYR 69 -15.454 -14.960 -6.585 530 HE2 TYR 69 HE2 TYR 69 -14.774 -10.891 -7.673 531 HH TYR 69 HH TYR 69 -13.934 -13.973 -8.446 532 H GLY 70 HN GLY 70 -21.816 -11.047 -6.908 533 1HA GLY 70 HA2 GLY 70 -23.865 -10.353 -6.139 534 2HA GLY 70 HA1 GLY 70 -23.816 -11.713 -5.031 535 H ILE 71 HN ILE 71 -21.503 -9.011 -5.133 536 HA ILE 71 HA ILE 71 -21.843 -8.550 -2.320 537 HB ILE 71 HB ILE 71 -20.379 -6.851 -4.350 538 1HG1 ILE 71 HG12 ILE 71 -19.303 -9.017 -2.535 539 2HG1 ILE 71 HG11 ILE 71 -19.552 -9.187 -4.266 540 1HG2 ILE 71 HG21 ILE 71 -19.844 -6.991 -1.400 541 2HG2 ILE 71 HG22 ILE 71 -21.000 -5.850 -2.084 542 3HG2 ILE 71 HG23 ILE 71 -19.305 -5.780 -2.564 543 1HD1 ILE 71 HD11 ILE 71 -17.412 -7.836 -2.789 544 2HD1 ILE 71 HD12 ILE 71 -18.006 -6.987 -4.217 545 3HD1 ILE 71 HD13 ILE 71 -17.388 -8.633 -4.363 546 H ARG 72 HN ARG 72 -23.192 -7.127 -1.356 547 HA ARG 72 HA ARG 72 -24.359 -4.978 -2.965 548 1HB ARG 72 HB2 ARG 72 -25.882 -6.928 -3.068 549 2HB ARG 72 HB1 ARG 72 -25.994 -6.912 -1.314 550 1HG ARG 72 HG2 ARG 72 -27.463 -5.226 -1.300 551 2HG ARG 72 HG1 ARG 72 -26.629 -4.353 -2.587 552 1HD ARG 72 HD2 ARG 72 -27.629 -6.529 -3.912 553 2HD ARG 72 HD1 ARG 72 -28.890 -6.205 -2.723 554 HE ARG 72 HE ARG 72 -27.992 -3.878 -4.164 555 1HH1 ARG 72 HH11 ARG 72 -30.226 -6.559 -4.129 556 2HH1 ARG 72 HH12 ARG 72 -31.375 -5.777 -5.162 557 1HH2 ARG 72 HH21 ARG 72 -29.500 -2.849 -5.521 558 2HH2 ARG 72 HH22 ARG 72 -30.963 -3.671 -5.953 559 H GLY 73 HN GLY 73 -22.539 -4.202 -1.344 560 1HA GLY 73 HA2 GLY 73 -23.555 -2.364 0.358 561 2HA GLY 73 HA1 GLY 73 -23.497 -3.804 1.355 562 H ILE 74 HN ILE 74 -21.894 -1.069 0.578 563 HA ILE 74 HA ILE 74 -19.227 -2.214 1.055 564 HB ILE 74 HB ILE 74 -18.424 0.100 0.411 565 1HG1 ILE 74 HG12 ILE 74 -21.219 0.410 -0.694 566 2HG1 ILE 74 HG11 ILE 74 -20.697 1.150 0.815 567 1HG2 ILE 74 HG21 ILE 74 -18.595 -1.976 -1.087 568 2HG2 ILE 74 HG22 ILE 74 -18.387 -0.407 -1.866 569 3HG2 ILE 74 HG23 ILE 74 -19.979 -1.165 -1.818 570 1HD1 ILE 74 HD11 ILE 74 -20.086 2.895 -0.407 571 2HD1 ILE 74 HD12 ILE 74 -20.264 1.995 -1.913 572 3HD1 ILE 74 HD13 ILE 74 -18.756 1.901 -1.002 573 HA PRO 75 HA PRO 75 -17.267 -1.218 1.562 574 1HB PRO 75 HB2 PRO 75 -15.462 -1.464 3.507 575 2HB PRO 75 HB1 PRO 75 -15.983 0.134 2.961 576 1HG PRO 75 HG2 PRO 75 -16.835 -1.411 5.377 577 2HG PRO 75 HG1 PRO 75 -16.449 0.313 5.232 578 1HD PRO 75 HD2 PRO 75 -19.005 -0.717 5.220 579 2HD PRO 75 HD1 PRO 75 -18.549 0.837 4.498 580 H THR 76 HN THR 76 -17.302 -3.294 0.858 581 HA THR 76 HA THR 76 -17.820 -5.449 2.739 582 HB THR 76 HB THR 76 -17.298 -6.152 -0.065 583 HG1 THR 76 HG1 THR 76 -19.296 -4.284 0.614 584 1HG2 THR 76 HG21 THR 76 -18.988 -7.017 2.086 585 2HG2 THR 76 HG22 THR 76 -18.536 -7.852 0.602 586 3HG2 THR 76 HG23 THR 76 -19.925 -6.766 0.614 587 H LEU 77 HN LEU 77 -16.334 -6.930 3.373 588 HA LEU 77 HA LEU 77 -13.625 -6.646 2.259 589 1HB LEU 77 HB2 LEU 77 -14.522 -6.729 4.957 590 2HB LEU 77 HB1 LEU 77 -13.645 -8.218 4.663 591 HG LEU 77 HG LEU 77 -11.802 -6.659 3.692 592 1HD1 LEU 77 HD11 LEU 77 -13.319 -4.649 3.814 593 2HD1 LEU 77 HD12 LEU 77 -11.720 -4.452 4.531 594 3HD1 LEU 77 HD13 LEU 77 -13.126 -4.715 5.564 595 1HD2 LEU 77 HD21 LEU 77 -10.933 -6.304 6.042 596 2HD2 LEU 77 HD22 LEU 77 -11.358 -7.961 5.610 597 3HD2 LEU 77 HD23 LEU 77 -12.451 -7.002 6.607 598 H LEU 78 HN LEU 78 -12.938 -8.228 1.020 599 HA LEU 78 HA LEU 78 -14.351 -10.804 1.157 600 1HB LEU 78 HB2 LEU 78 -13.255 -9.205 -1.112 601 2HB LEU 78 HB1 LEU 78 -13.308 -10.946 -1.268 602 HG LEU 78 HG LEU 78 -15.565 -8.978 -1.172 603 1HD1 LEU 78 HD11 LEU 78 -15.472 -11.484 -2.772 604 2HD1 LEU 78 HD12 LEU 78 -14.445 -10.126 -3.234 605 3HD1 LEU 78 HD13 LEU 78 -16.195 -9.922 -3.155 606 1HD2 LEU 78 HD21 LEU 78 -16.256 -10.412 0.583 607 2HD2 LEU 78 HD22 LEU 78 -15.717 -11.850 -0.283 608 3HD2 LEU 78 HD23 LEU 78 -17.114 -10.943 -0.863 609 H LEU 79 HN LEU 79 -13.254 -12.655 1.341 610 HA LEU 79 HA LEU 79 -10.323 -12.473 1.464 611 1HB LEU 79 HB2 LEU 79 -12.318 -13.677 3.274 612 2HB LEU 79 HB1 LEU 79 -10.899 -14.661 2.970 613 HG LEU 79 HG LEU 79 -10.741 -13.246 5.012 614 1HD1 LEU 79 HD11 LEU 79 -8.790 -12.981 2.761 615 2HD1 LEU 79 HD12 LEU 79 -8.673 -13.939 4.237 616 3HD1 LEU 79 HD13 LEU 79 -8.494 -12.187 4.307 617 1HD2 LEU 79 HD21 LEU 79 -10.568 -10.951 3.072 618 2HD2 LEU 79 HD22 LEU 79 -10.457 -10.874 4.830 619 3HD2 LEU 79 HD23 LEU 79 -11.982 -11.313 4.060 620 H PHE 80 HN PHE 80 -9.437 -13.456 -0.212 621 HA PHE 80 HA PHE 80 -10.792 -15.782 -1.380 622 1HB PHE 80 HB2 PHE 80 -8.818 -13.804 -2.495 623 2HB PHE 80 HB1 PHE 80 -9.157 -15.319 -3.310 624 HD1 PHE 80 HD1 PHE 80 -10.718 -12.228 -2.034 625 HD2 PHE 80 HD2 PHE 80 -11.009 -15.506 -4.729 626 HE1 PHE 80 HE1 PHE 80 -12.664 -11.165 -3.110 627 HE2 PHE 80 HE2 PHE 80 -12.951 -14.451 -5.814 628 HZ PHE 80 HZ PHE 80 -13.782 -12.277 -5.003 629 H LYS 81 HN LYS 81 -9.764 -17.697 -1.648 630 HA LYS 81 HA LYS 81 -6.993 -17.984 -0.752 631 1HB LYS 81 HB2 LYS 81 -8.891 -18.451 1.059 632 2HB LYS 81 HB1 LYS 81 -8.971 -19.997 0.227 633 1HG LYS 81 HG2 LYS 81 -7.011 -20.697 1.070 634 2HG LYS 81 HG1 LYS 81 -6.266 -19.101 0.946 635 1HD LYS 81 HD2 LYS 81 -7.838 -18.471 2.897 636 2HD LYS 81 HD1 LYS 81 -8.002 -20.213 3.124 637 1HE LYS 81 HE2 LYS 81 -5.392 -18.702 3.093 638 2HE LYS 81 HE1 LYS 81 -6.246 -19.219 4.546 639 1HZ LYS 81 HZ1 LYS 81 -4.354 -20.670 3.533 640 2HZ LYS 81 HZ2 LYS 81 -5.581 -21.223 2.509 641 3HZ LYS 81 HZ3 LYS 81 -5.734 -21.402 4.183 642 H ASN 82 HN ASN 82 -6.049 -18.854 -2.524 643 HA ASN 82 HA ASN 82 -5.657 -20.233 -4.286 644 1HB ASN 82 HB2 ASN 82 -7.776 -22.071 -3.177 645 2HB ASN 82 HB1 ASN 82 -6.384 -22.497 -4.162 646 1HD2 ASN 82 HD21 ASN 82 -4.261 -21.521 -3.005 647 2HD2 ASN 82 HD22 ASN 82 -4.097 -22.048 -1.366 648 H GLY 83 HN GLY 83 -7.264 -18.132 -4.773 649 1HA GLY 83 HA2 GLY 83 -8.656 -17.305 -6.390 650 2HA GLY 83 HA1 GLY 83 -8.658 -18.907 -7.103 651 H GLU 84 HN GLU 84 -9.719 -19.200 -3.952 652 HA GLU 84 HA GLU 84 -12.524 -18.910 -4.797 653 1HB GLU 84 HB2 GLU 84 -11.437 -21.288 -4.382 654 2HB GLU 84 HB1 GLU 84 -11.744 -20.890 -2.698 655 1HG GLU 84 HG2 GLU 84 -14.146 -20.316 -3.666 656 2HG GLU 84 HG1 GLU 84 -13.646 -21.486 -4.887 657 H VAL 85 HN VAL 85 -13.843 -17.773 -3.507 658 HA VAL 85 HA VAL 85 -12.802 -16.155 -1.451 659 HB VAL 85 HB VAL 85 -15.684 -16.870 -2.032 660 1HG1 VAL 85 HG11 VAL 85 -16.092 -14.648 -0.863 661 2HG1 VAL 85 HG12 VAL 85 -14.447 -14.795 -0.244 662 3HG1 VAL 85 HG13 VAL 85 -15.653 -16.017 0.159 663 1HG2 VAL 85 HG21 VAL 85 -15.490 -14.414 -2.963 664 2HG2 VAL 85 HG22 VAL 85 -15.031 -15.802 -3.950 665 3HG2 VAL 85 HG23 VAL 85 -13.791 -14.854 -3.129 666 H ALA 86 HN ALA 86 -12.219 -16.813 0.560 667 HA ALA 86 HA ALA 86 -13.571 -19.159 1.667 668 1HB ALA 86 HB1 ALA 86 -10.968 -18.951 1.305 669 2HB ALA 86 HB2 ALA 86 -11.640 -19.814 2.687 670 3HB ALA 86 HB3 ALA 86 -11.060 -18.161 2.878 671 H ALA 87 HN ALA 87 -13.924 -16.010 1.860 672 HA ALA 87 HA ALA 87 -15.353 -16.088 4.291 673 1HB ALA 87 HB1 ALA 87 -13.532 -14.109 5.049 674 2HB ALA 87 HB2 ALA 87 -12.560 -15.484 4.529 675 3HB ALA 87 HB3 ALA 87 -13.776 -15.690 5.790 676 H THR 88 HN THR 88 -16.625 -14.270 4.635 677 HA THR 88 HA THR 88 -16.259 -12.019 2.796 678 HB THR 88 HB THR 88 -17.895 -13.216 1.615 679 HG1 THR 88 HG1 THR 88 -18.849 -11.332 1.635 680 1HG2 THR 88 HG21 THR 88 -19.617 -14.485 2.434 681 2HG2 THR 88 HG22 THR 88 -19.689 -13.600 3.958 682 3HG2 THR 88 HG23 THR 88 -18.381 -14.746 3.664 683 H LYS 89 HN LYS 89 -16.630 -10.062 3.691 684 HA LYS 89 HA LYS 89 -18.053 -9.960 6.252 685 1HB LYS 89 HB2 LYS 89 -15.259 -9.216 5.673 686 2HB LYS 89 HB1 LYS 89 -16.174 -8.007 6.564 687 1HG LYS 89 HG2 LYS 89 -16.021 -10.889 7.404 688 2HG LYS 89 HG1 LYS 89 -14.880 -9.659 7.950 689 1HD LYS 89 HD2 LYS 89 -17.093 -8.365 8.565 690 2HD LYS 89 HD1 LYS 89 -17.771 -9.994 8.590 691 1HE LYS 89 HE2 LYS 89 -15.648 -10.501 10.055 692 2HE LYS 89 HE1 LYS 89 -15.702 -8.764 10.349 693 1HZ LYS 89 HZ1 LYS 89 -17.638 -8.924 11.504 694 2HZ LYS 89 HZ2 LYS 89 -17.000 -10.449 11.862 695 3HZ LYS 89 HZ3 LYS 89 -18.181 -10.288 10.663 696 H VAL 90 HN VAL 90 -19.356 -8.209 6.519 697 HA VAL 90 HA VAL 90 -19.400 -6.234 4.331 698 HB VAL 90 HB VAL 90 -21.807 -7.135 5.908 699 1HG1 VAL 90 HG11 VAL 90 -21.317 -5.224 3.692 700 2HG1 VAL 90 HG12 VAL 90 -22.437 -5.123 5.051 701 3HG1 VAL 90 HG13 VAL 90 -22.820 -6.147 3.668 702 1HG2 VAL 90 HG21 VAL 90 -20.786 -8.969 4.532 703 2HG2 VAL 90 HG22 VAL 90 -21.095 -7.978 3.105 704 3HG2 VAL 90 HG23 VAL 90 -22.440 -8.543 4.095 705 H GLY 91 HN GLY 91 -19.784 -4.066 4.868 706 1HA GLY 91 HA2 GLY 91 -20.097 -2.241 6.251 707 2HA GLY 91 HA1 GLY 91 -20.370 -3.338 7.592 708 H ALA 92 HN ALA 92 -18.873 -0.984 7.783 709 HA ALA 92 HA ALA 92 -16.089 -1.441 7.540 710 1HB ALA 92 HB1 ALA 92 -15.866 0.566 8.976 711 2HB ALA 92 HB2 ALA 92 -17.613 0.553 9.208 712 3HB ALA 92 HB3 ALA 92 -16.940 0.806 7.598 713 H LEU 93 HN LEU 93 -14.535 -1.789 9.154 714 HA LEU 93 HA LEU 93 -15.455 -2.757 11.749 715 1HB LEU 93 HB2 LEU 93 -13.817 -4.717 11.445 716 2HB LEU 93 HB1 LEU 93 -15.398 -4.824 10.697 717 HG LEU 93 HG LEU 93 -13.147 -3.757 9.060 718 1HD1 LEU 93 HD11 LEU 93 -11.993 -5.605 9.861 719 2HD1 LEU 93 HD12 LEU 93 -12.759 -6.213 8.393 720 3HD1 LEU 93 HD13 LEU 93 -13.451 -6.592 9.970 721 1HD2 LEU 93 HD21 LEU 93 -14.365 -4.711 7.261 722 2HD2 LEU 93 HD22 LEU 93 -15.541 -3.902 8.297 723 3HD2 LEU 93 HD23 LEU 93 -15.374 -5.657 8.357 724 H SER 94 HN SER 94 -13.877 -2.641 13.390 725 HA SER 94 HA SER 94 -11.950 -0.608 13.061 726 1HB SER 94 HB2 SER 94 -12.724 -2.467 15.248 727 2HB SER 94 HB1 SER 94 -11.127 -1.726 15.355 728 HG SER 94 HG SER 94 -12.326 -0.208 16.262 729 H LYS 95 HN LYS 95 -9.609 -1.185 14.073 730 HA LYS 95 HA LYS 95 -8.331 -2.704 12.022 731 1HB LYS 95 HB2 LYS 95 -7.267 -0.724 12.975 732 2HB LYS 95 HB1 LYS 95 -7.202 -1.498 14.553 733 1HG LYS 95 HG2 LYS 95 -5.434 -2.802 13.998 734 2HG LYS 95 HG1 LYS 95 -5.918 -2.932 12.306 735 1HD LYS 95 HD2 LYS 95 -5.209 -0.582 11.968 736 2HD LYS 95 HD1 LYS 95 -4.635 -0.546 13.636 737 1HE LYS 95 HE2 LYS 95 -3.402 -2.778 12.719 738 2HE LYS 95 HE1 LYS 95 -3.457 -1.806 11.250 739 1HZ LYS 95 HZ1 LYS 95 -2.590 0.018 12.938 740 2HZ LYS 95 HZ2 LYS 95 -1.538 -1.027 12.125 741 3HZ LYS 95 HZ3 LYS 95 -1.981 -1.352 13.724 742 H GLY 96 HN GLY 96 -9.210 -3.336 15.367 743 1HA GLY 96 HA2 GLY 96 -7.615 -5.700 15.561 744 2HA GLY 96 HA1 GLY 96 -8.852 -5.186 16.693 745 H GLN 97 HN GLN 97 -10.902 -5.019 14.575 746 HA GLN 97 HA GLN 97 -11.734 -7.758 14.688 747 1HB GLN 97 HB2 GLN 97 -13.026 -5.653 12.981 748 2HB GLN 97 HB1 GLN 97 -13.753 -7.071 13.719 749 1HG GLN 97 HG2 GLN 97 -13.465 -6.055 15.932 750 2HG GLN 97 HG1 GLN 97 -12.766 -4.626 15.171 751 1HE2 GLN 97 HE21 GLN 97 -15.156 -4.867 16.827 752 2HE2 GLN 97 HE22 GLN 97 -16.464 -4.270 15.866 753 H LEU 98 HN LEU 98 -10.263 -5.675 12.328 754 HA LEU 98 HA LEU 98 -10.703 -7.419 10.104 755 1HB LEU 98 HB2 LEU 98 -9.926 -4.826 10.311 756 2HB LEU 98 HB1 LEU 98 -8.382 -5.599 9.995 757 HG LEU 98 HG LEU 98 -10.763 -6.130 8.244 758 1HD1 LEU 98 HD11 LEU 98 -8.763 -4.128 7.388 759 2HD1 LEU 98 HD12 LEU 98 -9.965 -3.609 8.570 760 3HD1 LEU 98 HD13 LEU 98 -10.481 -4.253 7.012 761 1HD2 LEU 98 HD21 LEU 98 -9.208 -7.633 7.584 762 2HD2 LEU 98 HD22 LEU 98 -7.861 -6.679 8.205 763 3HD2 LEU 98 HD23 LEU 98 -8.607 -6.252 6.665 764 H LYS 99 HN LYS 99 -7.918 -6.695 12.175 765 HA LYS 99 HA LYS 99 -6.126 -8.543 11.055 766 1HB LYS 99 HB2 LYS 99 -5.913 -6.615 12.927 767 2HB LYS 99 HB1 LYS 99 -5.944 -8.031 13.967 768 1HG LYS 99 HG2 LYS 99 -4.049 -8.969 12.718 769 2HG LYS 99 HG1 LYS 99 -4.002 -7.511 11.725 770 1HD LYS 99 HD2 LYS 99 -2.461 -6.901 13.282 771 2HD LYS 99 HD1 LYS 99 -3.912 -6.371 14.136 772 1HE LYS 99 HE2 LYS 99 -3.854 -8.882 14.996 773 2HE LYS 99 HE1 LYS 99 -2.134 -8.692 14.657 774 1HZ LYS 99 HZ1 LYS 99 -2.129 -7.889 16.744 775 2HZ LYS 99 HZ2 LYS 99 -3.766 -7.463 16.722 776 3HZ LYS 99 HZ3 LYS 99 -2.619 -6.451 15.999 777 H GLU 100 HN GLU 100 -8.369 -8.847 13.790 778 HA GLU 100 HA GLU 100 -7.632 -11.445 14.555 779 1HB GLU 100 HB2 GLU 100 -9.633 -11.497 15.850 780 2HB GLU 100 HB1 GLU 100 -9.062 -9.836 15.876 781 1HG GLU 100 HG2 GLU 100 -11.228 -9.423 15.469 782 2HG GLU 100 HG1 GLU 100 -10.714 -9.668 13.806 783 H PHE 101 HN PHE 101 -10.010 -10.278 12.215 784 HA PHE 101 HA PHE 101 -11.158 -12.772 11.572 785 1HB PHE 101 HB2 PHE 101 -12.160 -10.566 11.032 786 2HB PHE 101 HB1 PHE 101 -10.898 -10.306 9.834 787 HD1 PHE 101 HD1 PHE 101 -13.352 -12.979 10.722 788 HD2 PHE 101 HD2 PHE 101 -11.498 -10.669 7.667 789 HE1 PHE 101 HE1 PHE 101 -14.723 -14.124 9.030 790 HE2 PHE 101 HE2 PHE 101 -12.865 -11.811 5.968 791 HZ PHE 101 HZ PHE 101 -14.481 -13.540 6.650 792 H LEU 102 HN LEU 102 -8.448 -10.967 10.201 793 HA LEU 102 HA LEU 102 -7.933 -12.722 8.030 794 1HB LEU 102 HB2 LEU 102 -6.717 -10.379 9.206 795 2HB LEU 102 HB1 LEU 102 -5.485 -11.569 8.826 796 HG LEU 102 HG LEU 102 -7.505 -10.481 6.865 797 1HD1 LEU 102 HD11 LEU 102 -4.808 -9.611 7.672 798 2HD1 LEU 102 HD12 LEU 102 -6.135 -8.692 6.961 799 3HD1 LEU 102 HD13 LEU 102 -5.107 -9.694 5.937 800 1HD2 LEU 102 HD21 LEU 102 -6.690 -11.892 5.299 801 2HD2 LEU 102 HD22 LEU 102 -6.334 -12.884 6.713 802 3HD2 LEU 102 HD23 LEU 102 -5.067 -11.895 5.989 803 H ASP 103 HN ASP 103 -6.252 -12.335 11.152 804 HA ASP 103 HA ASP 103 -4.526 -14.473 11.006 805 1HB ASP 103 HB2 ASP 103 -5.107 -12.665 12.924 806 2HB ASP 103 HB1 ASP 103 -5.860 -14.093 13.629 807 H ALA 104 HN ALA 104 -7.962 -14.479 11.719 808 HA ALA 104 HA ALA 104 -8.118 -17.178 12.599 809 1HB ALA 104 HB1 ALA 104 -10.513 -15.964 11.380 810 2HB ALA 104 HB2 ALA 104 -9.804 -15.099 12.744 811 3HB ALA 104 HB3 ALA 104 -10.312 -16.778 12.931 812 H ASN 105 HN ASN 105 -7.978 -15.708 9.464 813 HA ASN 105 HA ASN 105 -8.835 -18.231 8.212 814 1HB ASN 105 HB2 ASN 105 -9.614 -15.691 7.626 815 2HB ASN 105 HB1 ASN 105 -8.289 -15.900 6.485 816 1HD2 ASN 105 HD21 ASN 105 -9.872 -15.748 4.825 817 2HD2 ASN 105 HD22 ASN 105 -10.842 -17.116 4.412 818 H LEU 106 HN LEU 106 -6.160 -16.013 8.547 819 HA LEU 106 HA LEU 106 -4.477 -17.226 6.549 820 1HB LEU 106 HB2 LEU 106 -4.212 -14.891 7.310 821 2HB LEU 106 HB1 LEU 106 -3.790 -15.478 8.905 822 HG LEU 106 HG LEU 106 -1.762 -16.496 8.053 823 1HD1 LEU 106 HD11 LEU 106 -2.627 -17.073 5.815 824 2HD1 LEU 106 HD12 LEU 106 -1.061 -16.264 5.760 825 3HD1 LEU 106 HD13 LEU 106 -2.529 -15.371 5.366 826 1HD2 LEU 106 HD21 LEU 106 -2.272 -13.609 7.475 827 2HD2 LEU 106 HD22 LEU 106 -0.702 -14.324 7.109 828 3HD2 LEU 106 HD23 LEU 106 -1.317 -14.345 8.763 829 H VAL 107 HN VAL 107 -4.288 -19.404 6.990 830 HA VAL 107 HA VAL 107 -2.350 -20.226 8.857 831 HB VAL 107 HB VAL 107 -3.963 -19.917 10.580 832 1HG1 VAL 107 HG11 VAL 107 -5.982 -19.766 9.312 833 2HG1 VAL 107 HG12 VAL 107 -6.182 -21.044 10.509 834 3HG1 VAL 107 HG13 VAL 107 -5.864 -21.457 8.825 835 1HG2 VAL 107 HG21 VAL 107 -4.226 -22.857 10.086 836 2HG2 VAL 107 HG22 VAL 107 -3.944 -21.999 11.600 837 3HG2 VAL 107 HG23 VAL 107 -2.646 -22.147 10.415 Start of MODEL 14 1 1H MET 1 HT1 MET 1 2.083 -7.022 -0.181 2 2H MET 1 HT2 MET 1 3.632 -6.892 -0.907 3 3H MET 1 HT3 MET 1 2.318 -7.548 -1.796 4 HA MET 1 HA MET 1 2.512 -4.788 -0.793 5 1HB MET 1 HB2 MET 1 2.766 -4.277 -3.234 6 2HB MET 1 HB1 MET 1 4.128 -5.136 -2.531 7 1HG MET 1 HG2 MET 1 2.005 -6.767 -3.790 8 2HG MET 1 HG1 MET 1 3.039 -5.817 -4.854 9 1HE MET 1 HE1 MET 1 3.238 -9.499 -4.667 10 2HE MET 1 HE2 MET 1 4.656 -9.008 -5.592 11 3HE MET 1 HE3 MET 1 3.137 -8.131 -5.778 12 H VAL 2 HN VAL 2 1.033 -3.527 -2.543 13 HA VAL 2 HA VAL 2 -1.561 -4.918 -2.616 14 HB VAL 2 HB VAL 2 -1.157 -1.981 -2.020 15 1HG1 VAL 2 HG11 VAL 2 -3.407 -1.710 -2.007 16 2HG1 VAL 2 HG12 VAL 2 -3.714 -3.356 -1.456 17 3HG1 VAL 2 HG13 VAL 2 -3.336 -3.052 -3.147 18 1HG2 VAL 2 HG21 VAL 2 -2.298 -2.963 0.209 19 2HG2 VAL 2 HG22 VAL 2 -0.556 -2.786 0.002 20 3HG2 VAL 2 HG23 VAL 2 -1.322 -4.350 -0.271 21 H LYS 3 HN LYS 3 -2.885 -4.511 -4.391 22 HA LYS 3 HA LYS 3 -1.869 -2.695 -6.443 23 1HB LYS 3 HB2 LYS 3 -2.506 -4.662 -8.095 24 2HB LYS 3 HB1 LYS 3 -0.900 -4.543 -7.394 25 1HG LYS 3 HG2 LYS 3 -2.897 -6.108 -5.876 26 2HG LYS 3 HG1 LYS 3 -2.329 -6.794 -7.401 27 1HD LYS 3 HD2 LYS 3 0.031 -6.213 -6.481 28 2HD LYS 3 HD1 LYS 3 -0.786 -6.157 -4.918 29 1HE LYS 3 HE2 LYS 3 0.209 -8.366 -5.416 30 2HE LYS 3 HE1 LYS 3 -1.535 -8.429 -5.172 31 1HZ LYS 3 HZ1 LYS 3 -1.918 -8.891 -7.358 32 2HZ LYS 3 HZ2 LYS 3 -0.417 -9.647 -7.174 33 3HZ LYS 3 HZ3 LYS 3 -0.512 -8.124 -7.903 34 H GLN 4 HN GLN 4 -3.460 -1.447 -7.051 35 HA GLN 4 HA GLN 4 -6.171 -2.032 -6.386 36 1HB GLN 4 HB2 GLN 4 -5.349 0.257 -6.337 37 2HB GLN 4 HB1 GLN 4 -4.963 0.186 -8.052 38 1HG GLN 4 HG2 GLN 4 -7.007 0.841 -8.583 39 2HG GLN 4 HG1 GLN 4 -7.712 -0.494 -7.674 40 1HE2 GLN 4 HE21 GLN 4 -8.906 0.003 -5.970 41 2HE2 GLN 4 HE22 GLN 4 -8.923 1.527 -5.155 42 H ILE 5 HN ILE 5 -7.654 -3.025 -7.583 43 HA ILE 5 HA ILE 5 -6.951 -3.775 -10.333 44 HB ILE 5 HB ILE 5 -8.506 -5.067 -8.170 45 1HG1 ILE 5 HG12 ILE 5 -7.379 -7.010 -8.871 46 2HG1 ILE 5 HG11 ILE 5 -7.110 -6.379 -10.490 47 1HG2 ILE 5 HG21 ILE 5 -9.326 -5.292 -11.053 48 2HG2 ILE 5 HG22 ILE 5 -10.330 -4.869 -9.667 49 3HG2 ILE 5 HG23 ILE 5 -9.710 -6.510 -9.838 50 1HD1 ILE 5 HD11 ILE 5 -5.250 -5.243 -9.882 51 2HD1 ILE 5 HD12 ILE 5 -5.197 -6.509 -8.656 52 3HD1 ILE 5 HD13 ILE 5 -5.842 -4.918 -8.252 53 H GLU 6 HN GLU 6 -7.698 -2.361 -11.782 54 HA GLU 6 HA GLU 6 -10.274 -1.066 -11.325 55 1HB GLU 6 HB2 GLU 6 -7.838 -0.367 -12.853 56 2HB GLU 6 HB1 GLU 6 -9.366 0.143 -13.557 57 1HG GLU 6 HG2 GLU 6 -9.878 1.136 -11.253 58 2HG GLU 6 HG1 GLU 6 -8.156 0.929 -10.933 59 H SER 7 HN SER 7 -9.800 -3.900 -12.365 60 HA SER 7 HA SER 7 -11.852 -3.765 -14.388 61 1HB SER 7 HB2 SER 7 -9.393 -3.558 -15.411 62 2HB SER 7 HB1 SER 7 -9.470 -5.314 -15.272 63 HG SER 7 HG SER 7 -10.622 -5.266 -17.015 64 H LYS 8 HN LYS 8 -12.673 -5.905 -14.994 65 HA LYS 8 HA LYS 8 -12.830 -7.622 -12.723 66 1HB LYS 8 HB2 LYS 8 -14.758 -7.301 -14.161 67 2HB LYS 8 HB1 LYS 8 -13.875 -7.934 -15.543 68 1HG LYS 8 HG2 LYS 8 -13.814 -9.873 -13.454 69 2HG LYS 8 HG1 LYS 8 -15.478 -9.335 -13.690 70 1HD LYS 8 HD2 LYS 8 -13.637 -10.306 -15.874 71 2HD LYS 8 HD1 LYS 8 -14.895 -11.273 -15.102 72 1HE LYS 8 HE2 LYS 8 -15.673 -8.653 -16.265 73 2HE LYS 8 HE1 LYS 8 -15.305 -9.969 -17.379 74 1HZ LYS 8 HZ1 LYS 8 -17.419 -9.856 -15.314 75 2HZ LYS 8 HZ2 LYS 8 -16.912 -11.323 -15.986 76 3HZ LYS 8 HZ3 LYS 8 -17.584 -10.128 -16.976 77 H THR 9 HN THR 9 -10.917 -7.565 -15.621 78 HA THR 9 HA THR 9 -10.118 -10.329 -15.469 79 HB THR 9 HB THR 9 -8.721 -8.151 -17.011 80 HG1 THR 9 HG1 THR 9 -10.605 -7.926 -17.932 81 1HG2 THR 9 HG21 THR 9 -7.820 -10.563 -16.821 82 2HG2 THR 9 HG22 THR 9 -7.904 -9.789 -18.403 83 3HG2 THR 9 HG23 THR 9 -9.137 -10.957 -17.925 84 H ALA 10 HN ALA 10 -8.901 -7.234 -14.379 85 HA ALA 10 HA ALA 10 -6.273 -8.041 -13.753 86 1HB ALA 10 HB1 ALA 10 -6.996 -5.681 -13.926 87 2HB ALA 10 HB2 ALA 10 -6.140 -6.025 -12.422 88 3HB ALA 10 HB3 ALA 10 -7.897 -5.872 -12.422 89 H PHE 11 HN PHE 11 -9.298 -8.123 -11.930 90 HA PHE 11 HA PHE 11 -8.243 -8.792 -9.422 91 1HB PHE 11 HB2 PHE 11 -10.683 -8.218 -10.100 92 2HB PHE 11 HB1 PHE 11 -10.844 -9.936 -10.443 93 HD1 PHE 11 HD1 PHE 11 -8.994 -8.235 -7.706 94 HD2 PHE 11 HD2 PHE 11 -12.253 -10.748 -8.786 95 HE1 PHE 11 HE1 PHE 11 -9.437 -8.669 -5.331 96 HE2 PHE 11 HE2 PHE 11 -12.705 -11.186 -6.406 97 HZ PHE 11 HZ PHE 11 -11.293 -10.145 -4.676 98 H GLN 12 HN GLN 12 -9.123 -10.829 -12.181 99 HA GLN 12 HA GLN 12 -8.543 -13.303 -10.903 100 1HB GLN 12 HB2 GLN 12 -8.361 -12.785 -13.874 101 2HB GLN 12 HB1 GLN 12 -8.702 -14.307 -13.062 102 1HG GLN 12 HG2 GLN 12 -10.617 -12.226 -12.397 103 2HG GLN 12 HG1 GLN 12 -10.555 -12.581 -14.122 104 1HE2 GLN 12 HE21 GLN 12 -10.120 -14.666 -11.293 105 2HE2 GLN 12 HE22 GLN 12 -11.394 -15.764 -11.689 106 H GLU 13 HN GLU 13 -6.675 -11.110 -12.976 107 HA GLU 13 HA GLU 13 -4.355 -12.645 -13.194 108 1HB GLU 13 HB2 GLU 13 -4.945 -9.721 -13.424 109 2HB GLU 13 HB1 GLU 13 -3.272 -10.265 -13.433 110 1HG GLU 13 HG2 GLU 13 -3.854 -11.788 -15.319 111 2HG GLU 13 HG1 GLU 13 -5.445 -11.031 -15.366 112 H ALA 14 HN ALA 14 -5.225 -10.176 -10.773 113 HA ALA 14 HA ALA 14 -2.773 -10.289 -9.369 114 1HB ALA 14 HB1 ALA 14 -4.000 -8.387 -8.892 115 2HB ALA 14 HB2 ALA 14 -4.273 -9.370 -7.453 116 3HB ALA 14 HB3 ALA 14 -5.510 -9.281 -8.708 117 H LEU 15 HN LEU 15 -5.706 -12.181 -9.234 118 HA LEU 15 HA LEU 15 -5.204 -13.469 -6.756 119 1HB LEU 15 HB2 LEU 15 -7.000 -13.939 -9.089 120 2HB LEU 15 HB1 LEU 15 -6.757 -15.257 -7.958 121 HG LEU 15 HG LEU 15 -7.697 -12.514 -7.131 122 1HD1 LEU 15 HD11 LEU 15 -9.929 -13.638 -6.917 123 2HD1 LEU 15 HD12 LEU 15 -9.269 -14.975 -7.860 124 3HD1 LEU 15 HD13 LEU 15 -9.382 -13.364 -8.570 125 1HD2 LEU 15 HD21 LEU 15 -8.261 -14.963 -5.570 126 2HD2 LEU 15 HD22 LEU 15 -7.899 -13.324 -5.025 127 3HD2 LEU 15 HD23 LEU 15 -6.595 -14.381 -5.567 128 H ASP 16 HN ASP 16 -4.344 -14.172 -10.096 129 HA ASP 16 HA ASP 16 -3.365 -16.782 -9.733 130 1HB ASP 16 HB2 ASP 16 -2.707 -14.625 -11.742 131 2HB ASP 16 HB1 ASP 16 -1.967 -16.222 -11.803 132 H ALA 17 HN ALA 17 -1.947 -13.624 -9.202 133 HA ALA 17 HA ALA 17 0.715 -14.607 -8.769 134 1HB ALA 17 HB1 ALA 17 -0.643 -11.964 -8.461 135 2HB ALA 17 HB2 ALA 17 0.727 -12.410 -9.478 136 3HB ALA 17 HB3 ALA 17 0.944 -12.227 -7.737 137 H ALA 18 HN ALA 18 -2.146 -14.258 -6.875 138 HA ALA 18 HA ALA 18 -0.953 -14.080 -4.306 139 1HB ALA 18 HB1 ALA 18 -3.301 -13.478 -4.758 140 2HB ALA 18 HB2 ALA 18 -3.130 -14.623 -3.428 141 3HB ALA 18 HB3 ALA 18 -3.667 -15.185 -5.011 142 H GLY 19 HN GLY 19 -1.844 -16.848 -6.392 143 1HA GLY 19 HA2 GLY 19 -1.338 -19.047 -6.193 144 2HA GLY 19 HA1 GLY 19 0.008 -18.537 -5.187 145 H ASP 20 HN ASP 20 0.034 -19.547 -3.316 146 HA ASP 20 HA ASP 20 -2.461 -20.561 -2.192 147 1HB ASP 20 HB2 ASP 20 0.446 -21.145 -1.688 148 2HB ASP 20 HB1 ASP 20 -0.791 -21.661 -0.547 149 H LYS 21 HN LYS 21 -0.933 -17.716 -2.015 150 HA LYS 21 HA LYS 21 -0.818 -17.319 0.814 151 1HB LYS 21 HB2 LYS 21 -0.743 -15.391 -1.511 152 2HB LYS 21 HB1 LYS 21 -0.551 -14.909 0.169 153 1HG LYS 21 HG2 LYS 21 1.561 -15.676 0.291 154 2HG LYS 21 HG1 LYS 21 1.237 -17.057 -0.759 155 1HD LYS 21 HD2 LYS 21 1.404 -15.714 -2.716 156 2HD LYS 21 HD1 LYS 21 1.411 -14.225 -1.767 157 1HE LYS 21 HE2 LYS 21 3.557 -14.984 -0.739 158 2HE LYS 21 HE1 LYS 21 3.561 -16.333 -1.874 159 1HZ LYS 21 HZ1 LYS 21 3.566 -14.725 -3.697 160 2HZ LYS 21 HZ2 LYS 21 4.916 -14.530 -2.696 161 3HZ LYS 21 HZ3 LYS 21 3.619 -13.450 -2.586 162 H LEU 22 HN LEU 22 -2.257 -16.032 2.046 163 HA LEU 22 HA LEU 22 -5.003 -16.269 1.222 164 1HB LEU 22 HB2 LEU 22 -4.518 -16.649 3.536 165 2HB LEU 22 HB1 LEU 22 -3.692 -15.110 3.681 166 HG LEU 22 HG LEU 22 -5.730 -13.893 3.598 167 1HD1 LEU 22 HD11 LEU 22 -6.711 -16.277 2.248 168 2HD1 LEU 22 HD12 LEU 22 -7.280 -14.609 2.163 169 3HD1 LEU 22 HD13 LEU 22 -7.832 -15.664 3.463 170 1HD2 LEU 22 HD21 LEU 22 -6.639 -16.216 5.216 171 2HD2 LEU 22 HD22 LEU 22 -6.629 -14.497 5.610 172 3HD2 LEU 22 HD23 LEU 22 -5.128 -15.421 5.658 173 H VAL 23 HN VAL 23 -6.261 -14.705 0.358 174 HA VAL 23 HA VAL 23 -5.002 -12.080 -0.043 175 HB VAL 23 HB VAL 23 -7.186 -13.220 -1.754 176 1HG1 VAL 23 HG11 VAL 23 -5.669 -11.578 -3.302 177 2HG1 VAL 23 HG12 VAL 23 -5.554 -10.788 -1.730 178 3HG1 VAL 23 HG13 VAL 23 -7.134 -11.087 -2.453 179 1HG2 VAL 23 HG21 VAL 23 -5.528 -14.814 -2.095 180 2HG2 VAL 23 HG22 VAL 23 -4.226 -13.640 -1.908 181 3HG2 VAL 23 HG23 VAL 23 -5.212 -13.637 -3.371 182 H VAL 24 HN VAL 24 -5.760 -10.628 1.302 183 HA VAL 24 HA VAL 24 -8.637 -10.627 1.886 184 HB VAL 24 HB VAL 24 -7.229 -10.682 3.904 185 1HG1 VAL 24 HG11 VAL 24 -5.730 -8.903 4.481 186 2HG1 VAL 24 HG12 VAL 24 -6.145 -8.014 3.017 187 3HG1 VAL 24 HG13 VAL 24 -5.265 -9.538 2.905 188 1HG2 VAL 24 HG21 VAL 24 -9.091 -8.522 3.264 189 2HG2 VAL 24 HG22 VAL 24 -8.035 -8.169 4.632 190 3HG2 VAL 24 HG23 VAL 24 -9.050 -9.612 4.648 191 H VAL 25 HN VAL 25 -9.765 -9.290 0.707 192 HA VAL 25 HA VAL 25 -8.475 -6.822 -0.254 193 HB VAL 25 HB VAL 25 -10.125 -7.061 -2.223 194 1HG1 VAL 25 HG11 VAL 25 -7.984 -9.163 -2.152 195 2HG1 VAL 25 HG12 VAL 25 -7.587 -7.445 -2.166 196 3HG1 VAL 25 HG13 VAL 25 -8.499 -8.152 -3.500 197 1HG2 VAL 25 HG21 VAL 25 -9.941 -9.980 -1.584 198 2HG2 VAL 25 HG22 VAL 25 -11.002 -9.155 -2.725 199 3HG2 VAL 25 HG23 VAL 25 -11.286 -9.007 -0.992 200 H ASP 26 HN ASP 26 -10.084 -5.136 -0.921 201 HA ASP 26 HA ASP 26 -12.481 -5.181 0.776 202 1HB ASP 26 HB2 ASP 26 -10.605 -3.923 1.881 203 2HB ASP 26 HB1 ASP 26 -10.666 -2.780 0.542 204 H PHE 27 HN PHE 27 -14.279 -4.402 -0.131 205 HA PHE 27 HA PHE 27 -14.080 -3.315 -2.856 206 1HB PHE 27 HB2 PHE 27 -16.101 -4.903 -1.383 207 2HB PHE 27 HB1 PHE 27 -16.735 -3.683 -2.487 208 HD1 PHE 27 HD1 PHE 27 -14.581 -6.667 -2.250 209 HD2 PHE 27 HD2 PHE 27 -16.629 -3.971 -4.832 210 HE1 PHE 27 HE1 PHE 27 -14.123 -8.155 -4.157 211 HE2 PHE 27 HE2 PHE 27 -16.181 -5.457 -6.743 212 HZ PHE 27 HZ PHE 27 -14.925 -7.549 -6.408 213 H SER 28 HN SER 28 -14.026 -1.139 -2.909 214 HA SER 28 HA SER 28 -15.663 0.346 -0.960 215 1HB SER 28 HB2 SER 28 -13.186 1.424 -2.296 216 2HB SER 28 HB1 SER 28 -14.006 2.036 -0.860 217 HG SER 28 HG SER 28 -12.140 0.047 -1.101 218 H ALA 29 HN ALA 29 -15.446 2.838 -1.968 219 HA ALA 29 HA ALA 29 -16.245 2.897 -4.751 220 1HB ALA 29 HB1 ALA 29 -18.207 2.979 -2.586 221 2HB ALA 29 HB2 ALA 29 -18.437 2.705 -4.313 222 3HB ALA 29 HB3 ALA 29 -18.321 4.351 -3.689 223 H THR 30 HN THR 30 -16.339 5.099 -5.594 224 HA THR 30 HA THR 30 -14.456 6.831 -4.290 225 HB THR 30 HB THR 30 -15.524 8.388 -6.239 226 HG1 THR 30 HG1 THR 30 -16.111 7.077 -7.957 227 1HG2 THR 30 HG21 THR 30 -13.265 8.061 -6.432 228 2HG2 THR 30 HG22 THR 30 -13.871 7.161 -7.823 229 3HG2 THR 30 HG23 THR 30 -13.401 6.305 -6.355 230 H TRP 31 HN TRP 31 -17.903 6.639 -4.718 231 HA TRP 31 HA TRP 31 -18.451 9.189 -3.449 232 1HB TRP 31 HB2 TRP 31 -20.783 8.655 -3.920 233 2HB TRP 31 HB1 TRP 31 -19.802 8.345 -5.351 234 HD1 TRP 31 HD1 TRP 31 -19.387 5.733 -6.006 235 HE1 TRP 31 HE1 TRP 31 -20.740 3.607 -5.418 236 HE3 TRP 31 HE3 TRP 31 -22.228 7.581 -2.177 237 HZ2 TRP 31 HZ2 TRP 31 -22.743 2.840 -3.620 238 HZ3 TRP 31 HZ3 TRP 31 -23.838 6.081 -1.076 239 HH2 TRP 31 HH2 TRP 31 -24.085 3.759 -1.786 240 H CYS 32 HN CYS 32 -17.379 6.499 -2.089 241 HA CYS 32 HA CYS 32 -19.393 6.240 -0.006 242 1HB CYS 32 HB2 CYS 32 -18.179 4.252 -1.034 243 2HB CYS 32 HB1 CYS 32 -16.756 4.789 -0.150 244 H GLY 33 HN GLY 33 -18.848 6.363 2.246 245 1HA GLY 33 HA2 GLY 33 -16.817 8.445 2.741 246 2HA GLY 33 HA1 GLY 33 -18.272 8.219 3.702 247 HA PRO 34 HA PRO 34 -16.252 5.533 6.546 248 1HB PRO 34 HB2 PRO 34 -17.939 3.196 5.926 249 2HB PRO 34 HB1 PRO 34 -17.787 4.105 7.433 250 1HG PRO 34 HG2 PRO 34 -19.983 4.276 5.897 251 2HG PRO 34 HG1 PRO 34 -19.365 5.666 6.809 252 1HD PRO 34 HD2 PRO 34 -19.110 5.043 3.892 253 2HD PRO 34 HD1 PRO 34 -19.394 6.605 4.693 254 H CYS 35 HN CYS 35 -16.692 4.288 3.328 255 HA CYS 35 HA CYS 35 -15.150 1.966 3.445 256 1HB CYS 35 HB2 CYS 35 -15.529 3.902 1.151 257 2HB CYS 35 HB1 CYS 35 -14.846 2.287 0.996 258 H LYS 36 HN LYS 36 -14.199 5.323 2.892 259 HA LYS 36 HA LYS 36 -11.469 4.797 2.339 260 1HB LYS 36 HB2 LYS 36 -13.092 7.200 3.007 261 2HB LYS 36 HB1 LYS 36 -11.349 7.313 3.217 262 1HG LYS 36 HG2 LYS 36 -11.318 7.904 1.066 263 2HG LYS 36 HG1 LYS 36 -11.543 6.185 0.739 264 1HD LYS 36 HD2 LYS 36 -13.173 7.369 -0.532 265 2HD LYS 36 HD1 LYS 36 -14.017 6.591 0.808 266 1HE LYS 36 HE2 LYS 36 -14.551 8.558 1.786 267 2HE LYS 36 HE1 LYS 36 -13.034 9.323 1.316 268 1HZ LYS 36 HZ1 LYS 36 -15.376 8.855 -0.449 269 2HZ LYS 36 HZ2 LYS 36 -13.909 9.536 -0.943 270 3HZ LYS 36 HZ3 LYS 36 -14.882 10.345 0.179 271 H MET 37 HN MET 37 -13.249 4.668 5.226 272 HA MET 37 HA MET 37 -11.216 5.466 7.053 273 1HB MET 37 HB2 MET 37 -13.610 3.696 7.559 274 2HB MET 37 HB1 MET 37 -12.646 4.517 8.777 275 1HG MET 37 HG2 MET 37 -14.316 5.848 6.658 276 2HG MET 37 HG1 MET 37 -14.740 5.679 8.361 277 1HE MET 37 HE1 MET 37 -13.383 8.242 10.203 278 2HE MET 37 HE2 MET 37 -14.716 7.190 9.730 279 3HE MET 37 HE3 MET 37 -14.600 8.819 9.066 280 H ILE 38 HN ILE 38 -11.931 2.470 5.412 281 HA ILE 38 HA ILE 38 -10.294 0.875 7.198 282 HB ILE 38 HB ILE 38 -11.298 0.026 4.488 283 1HG1 ILE 38 HG12 ILE 38 -13.142 0.986 5.948 284 2HG1 ILE 38 HG11 ILE 38 -13.365 -0.679 5.429 285 1HG2 ILE 38 HG21 ILE 38 -11.443 -2.152 6.033 286 2HG2 ILE 38 HG22 ILE 38 -10.129 -1.303 6.850 287 3HG2 ILE 38 HG23 ILE 38 -9.993 -1.698 5.137 288 1HD1 ILE 38 HD11 ILE 38 -12.440 -1.376 7.664 289 2HD1 ILE 38 HD12 ILE 38 -14.011 -0.577 7.691 290 3HD1 ILE 38 HD13 ILE 38 -12.560 0.317 8.143 291 H LYS 39 HN LYS 39 -9.880 2.683 4.267 292 HA LYS 39 HA LYS 39 -7.805 1.452 2.983 293 1HB LYS 39 HB2 LYS 39 -9.067 3.879 2.768 294 2HB LYS 39 HB1 LYS 39 -7.423 4.349 3.178 295 1HG LYS 39 HG2 LYS 39 -6.534 3.325 1.265 296 2HG LYS 39 HG1 LYS 39 -8.009 2.403 0.972 297 1HD LYS 39 HD2 LYS 39 -7.873 4.216 -0.614 298 2HD LYS 39 HD1 LYS 39 -9.197 4.526 0.512 299 1HE LYS 39 HE2 LYS 39 -7.720 6.016 1.799 300 2HE LYS 39 HE1 LYS 39 -6.435 5.732 0.627 301 1HZ LYS 39 HZ1 LYS 39 -8.195 6.556 -1.054 302 2HZ LYS 39 HZ2 LYS 39 -7.362 7.688 -0.114 303 3HZ LYS 39 HZ3 LYS 39 -8.939 7.242 0.302 304 HA PRO 40 HA PRO 40 -4.520 3.948 5.655 305 1HB PRO 40 HB2 PRO 40 -5.522 4.331 8.246 306 2HB PRO 40 HB1 PRO 40 -5.275 5.579 7.025 307 1HG PRO 40 HG2 PRO 40 -7.765 4.133 7.782 308 2HG PRO 40 HG1 PRO 40 -7.553 5.815 7.269 309 1HD PRO 40 HD2 PRO 40 -8.559 3.977 5.607 310 2HD PRO 40 HD1 PRO 40 -7.470 5.249 5.016 311 H PHE 41 HN PHE 41 -6.825 1.924 7.481 312 HA PHE 41 HA PHE 41 -4.707 0.539 8.837 313 1HB PHE 41 HB2 PHE 41 -7.588 -0.327 8.715 314 2HB PHE 41 HB1 PHE 41 -6.412 -0.622 9.992 315 HD1 PHE 41 HD1 PHE 41 -5.450 1.562 11.117 316 HD2 PHE 41 HD2 PHE 41 -9.142 1.333 9.016 317 HE1 PHE 41 HE1 PHE 41 -6.248 3.562 12.307 318 HE2 PHE 41 HE2 PHE 41 -9.946 3.332 10.200 319 HZ PHE 41 HZ PHE 41 -8.498 4.451 11.847 320 H PHE 42 HN PHE 42 -6.658 -0.084 5.970 321 HA PHE 42 HA PHE 42 -6.144 -2.866 5.808 322 1HB PHE 42 HB2 PHE 42 -7.836 -1.336 4.479 323 2HB PHE 42 HB1 PHE 42 -6.503 -1.216 3.338 324 HD1 PHE 42 HD1 PHE 42 -8.505 -3.741 5.199 325 HD2 PHE 42 HD2 PHE 42 -6.273 -2.827 1.690 326 HE1 PHE 42 HE1 PHE 42 -9.179 -5.892 4.212 327 HE2 PHE 42 HE2 PHE 42 -6.950 -4.973 0.696 328 HZ PHE 42 HZ PHE 42 -8.403 -6.510 1.958 329 H HIS 43 HN HIS 43 -4.564 -0.039 4.397 330 HA HIS 43 HA HIS 43 -2.609 -1.481 2.961 331 1HB HIS 43 HB2 HIS 43 -3.394 1.178 3.164 332 2HB HIS 43 HB1 HIS 43 -1.735 1.172 3.755 333 HD1 HIS 43 HD1 HIS 43 -3.691 1.107 0.657 334 HD2 HIS 43 HD2 HIS 43 0.144 0.058 1.858 335 HE1 HIS 43 HE1 HIS 43 -2.323 0.875 -1.458 336 H SER 44 HN SER 44 -2.585 -0.069 6.229 337 HA SER 44 HA SER 44 0.144 -0.446 6.749 338 1HB SER 44 HB2 SER 44 -2.242 -0.366 8.608 339 2HB SER 44 HB1 SER 44 -0.571 -0.407 9.171 340 HG SER 44 HG SER 44 -0.978 1.708 9.059 341 H LEU 45 HN LEU 45 -2.644 -2.567 7.303 342 HA LEU 45 HA LEU 45 -1.295 -4.627 8.633 343 1HB LEU 45 HB2 LEU 45 -3.710 -4.703 6.821 344 2HB LEU 45 HB1 LEU 45 -3.152 -6.086 7.740 345 HG LEU 45 HG LEU 45 -3.728 -3.558 9.212 346 1HD1 LEU 45 HD11 LEU 45 -5.903 -5.496 8.469 347 2HD1 LEU 45 HD12 LEU 45 -5.628 -3.982 7.607 348 3HD1 LEU 45 HD13 LEU 45 -6.056 -3.958 9.318 349 1HD2 LEU 45 HD21 LEU 45 -4.570 -6.258 10.096 350 2HD2 LEU 45 HD22 LEU 45 -3.909 -4.915 11.027 351 3HD2 LEU 45 HD23 LEU 45 -2.841 -5.921 10.048 352 H SER 46 HN SER 46 -1.775 -3.977 5.201 353 HA SER 46 HA SER 46 -0.789 -6.318 4.095 354 1HB SER 46 HB2 SER 46 -0.150 -3.649 2.876 355 2HB SER 46 HB1 SER 46 -0.649 -5.142 2.083 356 HG SER 46 HG SER 46 -2.385 -3.736 2.099 357 H GLU 47 HN GLU 47 0.933 -3.676 5.620 358 HA GLU 47 HA GLU 47 3.496 -4.568 4.604 359 1HB GLU 47 HB2 GLU 47 2.510 -2.231 6.143 360 2HB GLU 47 HB1 GLU 47 4.178 -2.713 6.419 361 1HG GLU 47 HG2 GLU 47 4.428 -1.195 4.730 362 2HG GLU 47 HG1 GLU 47 4.318 -2.699 3.818 363 H LYS 48 HN LYS 48 1.508 -5.146 7.342 364 HA LYS 48 HA LYS 48 3.766 -6.107 8.941 365 1HB LYS 48 HB2 LYS 48 1.966 -4.765 10.021 366 2HB LYS 48 HB1 LYS 48 0.820 -6.039 9.626 367 1HG LYS 48 HG2 LYS 48 2.351 -7.588 10.959 368 2HG LYS 48 HG1 LYS 48 3.101 -6.112 11.570 369 1HD LYS 48 HD2 LYS 48 1.515 -6.288 13.168 370 2HD LYS 48 HD1 LYS 48 0.495 -5.521 11.949 371 1HE LYS 48 HE2 LYS 48 -0.857 -7.281 12.107 372 2HE LYS 48 HE1 LYS 48 0.411 -8.235 11.339 373 1HZ LYS 48 HZ1 LYS 48 0.228 -7.804 14.268 374 2HZ LYS 48 HZ2 LYS 48 1.245 -8.880 13.453 375 3HZ LYS 48 HZ3 LYS 48 -0.425 -9.150 13.477 376 H TYR 49 HN TYR 49 1.305 -7.221 6.842 377 HA TYR 49 HA TYR 49 1.558 -9.996 7.744 378 1HB TYR 49 HB2 TYR 49 -0.382 -8.486 6.050 379 2HB TYR 49 HB1 TYR 49 -0.192 -10.213 5.765 380 HD1 TYR 49 HD1 TYR 49 -1.159 -11.804 7.233 381 HD2 TYR 49 HD2 TYR 49 -1.078 -7.694 8.326 382 HE1 TYR 49 HE1 TYR 49 -2.663 -12.282 9.120 383 HE2 TYR 49 HE2 TYR 49 -2.580 -8.159 10.215 384 HH TYR 49 HH TYR 49 -4.445 -10.654 10.510 385 H SER 50 HN SER 50 3.545 -10.660 6.995 386 HA SER 50 HA SER 50 4.233 -10.237 4.189 387 1HB SER 50 HB2 SER 50 5.800 -10.193 6.381 388 2HB SER 50 HB1 SER 50 5.975 -11.890 5.939 389 HG SER 50 HG SER 50 7.545 -10.752 4.860 390 H ASN 51 HN ASN 51 2.015 -11.742 4.349 391 HA ASN 51 HA ASN 51 2.895 -14.259 3.236 392 1HB ASN 51 HB2 ASN 51 2.619 -14.646 5.713 393 2HB ASN 51 HB1 ASN 51 0.910 -14.267 5.514 394 1HD2 ASN 51 HD21 ASN 51 2.284 -16.743 6.353 395 2HD2 ASN 51 HD22 ASN 51 1.696 -17.967 5.287 396 H VAL 52 HN VAL 52 0.189 -12.207 4.209 397 HA VAL 52 HA VAL 52 -1.504 -13.300 2.101 398 HB VAL 52 HB VAL 52 -3.301 -12.050 3.080 399 1HG1 VAL 52 HG11 VAL 52 -3.542 -13.323 4.927 400 2HG1 VAL 52 HG12 VAL 52 -1.978 -12.844 5.589 401 3HG1 VAL 52 HG13 VAL 52 -2.063 -14.076 4.332 402 1HG2 VAL 52 HG21 VAL 52 -2.264 -10.812 5.355 403 2HG2 VAL 52 HG22 VAL 52 -2.899 -10.030 3.907 404 3HG2 VAL 52 HG23 VAL 52 -1.174 -10.361 4.042 405 H ILE 53 HN ILE 53 -2.539 -11.978 0.546 406 HA ILE 53 HA ILE 53 -0.953 -9.612 -0.173 407 HB ILE 53 HB ILE 53 -1.169 -11.648 -1.753 408 1HG1 ILE 53 HG12 ILE 53 -1.386 -10.031 -3.745 409 2HG1 ILE 53 HG11 ILE 53 -1.567 -8.776 -2.524 410 1HG2 ILE 53 HG21 ILE 53 -3.696 -11.705 -1.501 411 2HG2 ILE 53 HG22 ILE 53 -3.043 -11.854 -3.133 412 3HG2 ILE 53 HG23 ILE 53 -3.721 -10.319 -2.591 413 1HD1 ILE 53 HD11 ILE 53 0.786 -9.506 -3.569 414 2HD1 ILE 53 HD12 ILE 53 0.724 -10.589 -2.179 415 3HD1 ILE 53 HD13 ILE 53 0.605 -8.845 -1.944 416 H PHE 54 HN PHE 54 -1.831 -7.767 0.350 417 HA PHE 54 HA PHE 54 -4.726 -7.494 0.667 418 1HB PHE 54 HB2 PHE 54 -2.306 -5.925 1.476 419 2HB PHE 54 HB1 PHE 54 -3.821 -5.079 1.306 420 HD1 PHE 54 HD1 PHE 54 -2.551 -8.202 2.997 421 HD2 PHE 54 HD2 PHE 54 -5.007 -4.722 3.179 422 HE1 PHE 54 HE1 PHE 54 -3.140 -8.726 5.331 423 HE2 PHE 54 HE2 PHE 54 -5.602 -5.257 5.501 424 HZ PHE 54 HZ PHE 54 -4.665 -7.256 6.581 425 H LEU 55 HN LEU 55 -5.867 -6.813 -1.148 426 HA LEU 55 HA LEU 55 -4.550 -4.762 -2.752 427 1HB LEU 55 HB2 LEU 55 -4.734 -5.771 -4.700 428 2HB LEU 55 HB1 LEU 55 -4.776 -7.235 -3.736 429 HG LEU 55 HG LEU 55 -7.443 -6.552 -3.937 430 1HD1 LEU 55 HD11 LEU 55 -7.867 -6.030 -6.246 431 2HD1 LEU 55 HD12 LEU 55 -6.140 -6.046 -6.605 432 3HD1 LEU 55 HD13 LEU 55 -6.812 -4.789 -5.570 433 1HD2 LEU 55 HD21 LEU 55 -7.484 -8.391 -5.635 434 2HD2 LEU 55 HD22 LEU 55 -6.612 -8.788 -4.153 435 3HD2 LEU 55 HD23 LEU 55 -5.721 -8.368 -5.616 436 H GLU 56 HN GLU 56 -6.085 -3.575 -4.198 437 HA GLU 56 HA GLU 56 -8.517 -3.022 -2.639 438 1HB GLU 56 HB2 GLU 56 -6.369 -1.448 -3.118 439 2HB GLU 56 HB1 GLU 56 -7.434 -0.968 -4.429 440 1HG GLU 56 HG2 GLU 56 -7.995 0.532 -2.784 441 2HG GLU 56 HG1 GLU 56 -9.211 -0.722 -2.553 442 H VAL 57 HN VAL 57 -10.378 -3.493 -3.629 443 HA VAL 57 HA VAL 57 -10.482 -3.203 -6.562 444 HB VAL 57 HB VAL 57 -12.487 -4.859 -5.082 445 1HG1 VAL 57 HG11 VAL 57 -12.279 -6.079 -7.344 446 2HG1 VAL 57 HG12 VAL 57 -11.419 -4.631 -7.867 447 3HG1 VAL 57 HG13 VAL 57 -13.084 -4.509 -7.298 448 1HG2 VAL 57 HG21 VAL 57 -9.642 -5.518 -5.491 449 2HG2 VAL 57 HG22 VAL 57 -10.793 -6.756 -5.993 450 3HG2 VAL 57 HG23 VAL 57 -10.801 -6.165 -4.331 451 H ASP 58 HN ASP 58 -11.589 -1.525 -7.217 452 HA ASP 58 HA ASP 58 -13.617 -0.358 -5.453 453 1HB ASP 58 HB2 ASP 58 -11.855 1.148 -6.265 454 2HB ASP 58 HB1 ASP 58 -12.271 0.749 -7.930 455 H VAL 59 HN VAL 59 -15.683 -0.814 -5.843 456 HA VAL 59 HA VAL 59 -16.514 -2.397 -7.982 457 HB VAL 59 HB VAL 59 -17.722 -2.241 -5.835 458 1HG1 VAL 59 HG11 VAL 59 -17.536 0.267 -5.692 459 2HG1 VAL 59 HG12 VAL 59 -19.112 -0.406 -5.274 460 3HG1 VAL 59 HG13 VAL 59 -18.867 0.351 -6.847 461 1HG2 VAL 59 HG21 VAL 59 -18.740 -2.810 -8.241 462 2HG2 VAL 59 HG22 VAL 59 -19.788 -1.462 -7.802 463 3HG2 VAL 59 HG23 VAL 59 -19.688 -2.880 -6.757 464 H ASP 60 HN ASP 60 -15.986 0.986 -7.873 465 HA ASP 60 HA ASP 60 -17.843 1.769 -9.877 466 1HB ASP 60 HB2 ASP 60 -16.378 3.201 -8.194 467 2HB ASP 60 HB1 ASP 60 -15.240 3.205 -9.536 468 H ASP 61 HN ASP 61 -14.544 0.587 -9.890 469 HA ASP 61 HA ASP 61 -14.450 0.710 -12.822 470 1HB ASP 61 HB2 ASP 61 -12.269 0.020 -10.837 471 2HB ASP 61 HB1 ASP 61 -12.062 0.191 -12.578 472 H ALA 62 HN ALA 62 -14.442 -1.504 -10.120 473 HA ALA 62 HA ALA 62 -14.242 -3.813 -11.895 474 1HB ALA 62 HB1 ALA 62 -14.611 -4.252 -9.007 475 2HB ALA 62 HB2 ALA 62 -13.146 -3.380 -9.459 476 3HB ALA 62 HB3 ALA 62 -13.461 -4.982 -10.127 477 H GLN 63 HN GLN 63 -16.490 -2.419 -12.372 478 HA GLN 63 HA GLN 63 -18.727 -3.157 -10.814 479 1HB GLN 63 HB2 GLN 63 -18.496 -1.220 -12.473 480 2HB GLN 63 HB1 GLN 63 -18.837 -2.406 -13.724 481 1HG GLN 63 HG2 GLN 63 -20.820 -1.130 -13.021 482 2HG GLN 63 HG1 GLN 63 -20.992 -2.868 -12.782 483 1HE2 GLN 63 HE21 GLN 63 -19.883 0.016 -11.028 484 2HE2 GLN 63 HE22 GLN 63 -20.587 -0.428 -9.514 485 H ASP 64 HN ASP 64 -16.845 -5.046 -12.877 486 HA ASP 64 HA ASP 64 -19.099 -6.747 -13.644 487 1HB ASP 64 HB2 ASP 64 -16.389 -6.306 -14.699 488 2HB ASP 64 HB1 ASP 64 -16.899 -7.992 -14.681 489 H VAL 65 HN VAL 65 -16.426 -6.648 -11.417 490 HA VAL 65 HA VAL 65 -16.478 -9.475 -10.918 491 HB VAL 65 HB VAL 65 -15.074 -8.900 -8.886 492 1HG1 VAL 65 HG11 VAL 65 -14.377 -8.534 -11.730 493 2HG1 VAL 65 HG12 VAL 65 -13.721 -9.650 -10.532 494 3HG1 VAL 65 HG13 VAL 65 -13.189 -7.969 -10.555 495 1HG2 VAL 65 HG21 VAL 65 -15.788 -6.586 -8.592 496 2HG2 VAL 65 HG22 VAL 65 -15.079 -6.167 -10.150 497 3HG2 VAL 65 HG23 VAL 65 -14.044 -6.695 -8.825 498 H ALA 66 HN ALA 66 -17.665 -6.593 -9.092 499 HA ALA 66 HA ALA 66 -18.660 -7.832 -6.875 500 1HB ALA 66 HB1 ALA 66 -18.902 -5.578 -6.753 501 2HB ALA 66 HB2 ALA 66 -20.553 -5.991 -7.215 502 3HB ALA 66 HB3 ALA 66 -19.408 -5.432 -8.434 503 HA PRO 67 HA PRO 67 -23.031 -8.482 -9.116 504 1HB PRO 67 HB2 PRO 67 -22.507 -8.935 -11.851 505 2HB PRO 67 HB1 PRO 67 -23.337 -7.542 -11.154 506 1HG PRO 67 HG2 PRO 67 -20.495 -7.828 -11.987 507 2HG PRO 67 HG1 PRO 67 -21.552 -6.410 -12.060 508 1HD PRO 67 HD2 PRO 67 -19.636 -6.615 -10.219 509 2HD PRO 67 HD1 PRO 67 -21.213 -5.904 -9.818 510 H LYS 68 HN LYS 68 -19.962 -9.835 -10.086 511 HA LYS 68 HA LYS 68 -20.961 -12.448 -10.697 512 1HB LYS 68 HB2 LYS 68 -18.625 -11.164 -11.226 513 2HB LYS 68 HB1 LYS 68 -18.134 -12.190 -9.887 514 1HG LYS 68 HG2 LYS 68 -18.277 -14.075 -11.101 515 2HG LYS 68 HG1 LYS 68 -19.706 -13.528 -11.979 516 1HD LYS 68 HD2 LYS 68 -18.379 -12.198 -13.455 517 2HD LYS 68 HD1 LYS 68 -16.932 -12.464 -12.481 518 1HE LYS 68 HE2 LYS 68 -16.876 -13.859 -14.465 519 2HE LYS 68 HE1 LYS 68 -17.026 -14.858 -13.021 520 1HZ LYS 68 HZ1 LYS 68 -19.413 -14.036 -14.548 521 2HZ LYS 68 HZ2 LYS 68 -19.231 -15.341 -13.489 522 3HZ LYS 68 HZ3 LYS 68 -18.508 -15.386 -15.017 523 H TYR 69 HN TYR 69 -19.897 -10.796 -7.807 524 HA TYR 69 HA TYR 69 -20.002 -13.312 -6.267 525 1HB TYR 69 HB2 TYR 69 -18.748 -10.628 -5.666 526 2HB TYR 69 HB1 TYR 69 -18.843 -11.950 -4.518 527 HD1 TYR 69 HD1 TYR 69 -17.966 -14.292 -5.677 528 HD2 TYR 69 HD2 TYR 69 -16.710 -10.350 -6.665 529 HE1 TYR 69 HE1 TYR 69 -15.864 -15.193 -6.583 530 HE2 TYR 69 HE2 TYR 69 -14.606 -11.236 -7.574 531 HH TYR 69 HH TYR 69 -13.796 -13.439 -8.529 532 H GLY 70 HN GLY 70 -21.833 -10.658 -7.032 533 1HA GLY 70 HA2 GLY 70 -23.810 -9.818 -6.211 534 2HA GLY 70 HA1 GLY 70 -23.878 -11.245 -5.190 535 H ILE 71 HN ILE 71 -21.417 -8.672 -5.169 536 HA ILE 71 HA ILE 71 -21.691 -8.397 -2.316 537 HB ILE 71 HB ILE 71 -20.057 -6.725 -4.232 538 1HG1 ILE 71 HG12 ILE 71 -19.107 -9.006 -2.496 539 2HG1 ILE 71 HG11 ILE 71 -19.551 -9.212 -4.186 540 1HG2 ILE 71 HG21 ILE 71 -20.115 -5.452 -2.320 541 2HG2 ILE 71 HG22 ILE 71 -18.713 -6.473 -1.998 542 3HG2 ILE 71 HG23 ILE 71 -20.269 -6.854 -1.262 543 1HD1 ILE 71 HD11 ILE 71 -17.373 -8.857 -4.541 544 2HD1 ILE 71 HD12 ILE 71 -17.147 -8.043 -2.993 545 3HD1 ILE 71 HD13 ILE 71 -17.808 -7.156 -4.366 546 H ARG 72 HN ARG 72 -23.929 -7.707 -2.244 547 HA ARG 72 HA ARG 72 -24.581 -5.124 -3.380 548 1HB ARG 72 HB2 ARG 72 -26.183 -7.055 -3.311 549 2HB ARG 72 HB1 ARG 72 -26.273 -6.845 -1.568 550 1HG ARG 72 HG2 ARG 72 -27.149 -4.587 -1.883 551 2HG ARG 72 HG1 ARG 72 -27.058 -4.797 -3.633 552 1HD ARG 72 HD2 ARG 72 -29.275 -5.288 -3.188 553 2HD ARG 72 HD1 ARG 72 -28.531 -6.886 -3.209 554 HE ARG 72 HE ARG 72 -28.503 -5.870 -0.585 555 1HH1 ARG 72 HH11 ARG 72 -30.715 -7.132 -2.969 556 2HH1 ARG 72 HH12 ARG 72 -31.849 -7.707 -1.794 557 1HH2 ARG 72 HH21 ARG 72 -29.987 -6.631 0.963 558 2HH2 ARG 72 HH22 ARG 72 -31.439 -7.422 0.439 559 H GLY 73 HN GLY 73 -22.977 -3.936 -2.154 560 1HA GLY 73 HA2 GLY 73 -23.739 -2.165 -0.376 561 2HA GLY 73 HA1 GLY 73 -23.618 -3.552 0.688 562 H ILE 74 HN ILE 74 -22.177 -1.266 1.164 563 HA ILE 74 HA ILE 74 -19.449 -2.275 0.997 564 HB ILE 74 HB ILE 74 -18.594 -0.015 0.324 565 1HG1 ILE 74 HG12 ILE 74 -21.482 0.427 -0.473 566 2HG1 ILE 74 HG11 ILE 74 -20.650 1.255 0.841 567 1HG2 ILE 74 HG21 ILE 74 -18.704 -0.474 -1.963 568 2HG2 ILE 74 HG22 ILE 74 -20.324 -1.158 -1.842 569 3HG2 ILE 74 HG23 ILE 74 -18.943 -2.046 -1.201 570 1HD1 ILE 74 HD11 ILE 74 -20.779 1.955 -1.898 571 2HD1 ILE 74 HD12 ILE 74 -19.101 1.580 -1.505 572 3HD1 ILE 74 HD13 ILE 74 -19.972 2.802 -0.578 573 HA PRO 75 HA PRO 75 -17.446 -1.206 1.435 574 1HB PRO 75 HB2 PRO 75 -15.560 -1.330 3.313 575 2HB PRO 75 HB1 PRO 75 -16.177 0.233 2.763 576 1HG PRO 75 HG2 PRO 75 -16.852 -1.306 5.238 577 2HG PRO 75 HG1 PRO 75 -16.567 0.432 5.045 578 1HD PRO 75 HD2 PRO 75 -19.063 -0.747 5.152 579 2HD PRO 75 HD1 PRO 75 -18.723 0.828 4.410 580 H THR 76 HN THR 76 -17.534 -3.306 0.785 581 HA THR 76 HA THR 76 -17.866 -5.417 2.740 582 HB THR 76 HB THR 76 -17.400 -6.181 -0.061 583 HG1 THR 76 HG1 THR 76 -19.638 -4.592 0.646 584 1HG2 THR 76 HG21 THR 76 -19.011 -7.736 0.297 585 2HG2 THR 76 HG22 THR 76 -19.936 -6.696 1.382 586 3HG2 THR 76 HG23 THR 76 -18.469 -7.490 1.957 587 H LEU 77 HN LEU 77 -16.379 -6.889 3.337 588 HA LEU 77 HA LEU 77 -13.666 -6.555 2.254 589 1HB LEU 77 HB2 LEU 77 -14.620 -6.686 4.935 590 2HB LEU 77 HB1 LEU 77 -13.698 -8.146 4.641 591 HG LEU 77 HG LEU 77 -11.786 -6.713 3.890 592 1HD1 LEU 77 HD11 LEU 77 -13.482 -4.733 3.537 593 2HD1 LEU 77 HD12 LEU 77 -11.808 -4.430 4.001 594 3HD1 LEU 77 HD13 LEU 77 -13.081 -4.388 5.219 595 1HD2 LEU 77 HD21 LEU 77 -11.551 -5.694 6.349 596 2HD2 LEU 77 HD22 LEU 77 -11.357 -7.412 6.004 597 3HD2 LEU 77 HD23 LEU 77 -12.888 -6.808 6.635 598 H LEU 78 HN LEU 78 -12.921 -8.146 1.025 599 HA LEU 78 HA LEU 78 -14.306 -10.742 1.161 600 1HB LEU 78 HB2 LEU 78 -13.287 -9.116 -1.128 601 2HB LEU 78 HB1 LEU 78 -13.321 -10.856 -1.292 602 HG LEU 78 HG LEU 78 -15.609 -8.926 -1.094 603 1HD1 LEU 78 HD11 LEU 78 -16.271 -10.892 -2.850 604 2HD1 LEU 78 HD12 LEU 78 -14.518 -10.844 -3.018 605 3HD1 LEU 78 HD13 LEU 78 -15.468 -9.383 -3.281 606 1HD2 LEU 78 HD21 LEU 78 -16.228 -10.455 0.610 607 2HD2 LEU 78 HD22 LEU 78 -15.680 -11.840 -0.335 608 3HD2 LEU 78 HD23 LEU 78 -17.108 -10.936 -0.841 609 H LEU 79 HN LEU 79 -13.172 -12.554 1.405 610 HA LEU 79 HA LEU 79 -10.234 -12.350 1.448 611 1HB LEU 79 HB2 LEU 79 -12.198 -13.684 3.224 612 2HB LEU 79 HB1 LEU 79 -10.733 -14.584 2.888 613 HG LEU 79 HG LEU 79 -10.688 -13.248 4.996 614 1HD1 LEU 79 HD11 LEU 79 -8.664 -12.739 2.838 615 2HD1 LEU 79 HD12 LEU 79 -8.607 -13.927 4.140 616 3HD1 LEU 79 HD13 LEU 79 -8.438 -12.209 4.505 617 1HD2 LEU 79 HD21 LEU 79 -10.295 -10.812 3.315 618 2HD2 LEU 79 HD22 LEU 79 -10.693 -10.942 5.028 619 3HD2 LEU 79 HD23 LEU 79 -11.917 -11.298 3.809 620 H PHE 80 HN PHE 80 -9.255 -13.441 -0.140 621 HA PHE 80 HA PHE 80 -10.712 -15.680 -1.376 622 1HB PHE 80 HB2 PHE 80 -8.839 -13.619 -2.491 623 2HB PHE 80 HB1 PHE 80 -9.034 -15.162 -3.308 624 HD1 PHE 80 HD1 PHE 80 -10.637 -12.021 -2.378 625 HD2 PHE 80 HD2 PHE 80 -11.113 -15.721 -4.430 626 HE1 PHE 80 HE1 PHE 80 -12.653 -11.144 -3.475 627 HE2 PHE 80 HE2 PHE 80 -13.137 -14.851 -5.533 628 HZ PHE 80 HZ PHE 80 -13.910 -12.560 -5.054 629 H LYS 81 HN LYS 81 -9.642 -17.571 -1.864 630 HA LYS 81 HA LYS 81 -6.875 -17.903 -1.015 631 1HB LYS 81 HB2 LYS 81 -8.793 -18.444 0.807 632 2HB LYS 81 HB1 LYS 81 -8.727 -19.993 -0.022 633 1HG LYS 81 HG2 LYS 81 -6.724 -20.515 0.840 634 2HG LYS 81 HG1 LYS 81 -6.118 -18.863 0.706 635 1HD LYS 81 HD2 LYS 81 -7.768 -18.368 2.646 636 2HD LYS 81 HD1 LYS 81 -7.737 -20.117 2.893 637 1HE LYS 81 HE2 LYS 81 -5.263 -18.404 2.768 638 2HE LYS 81 HE1 LYS 81 -6.091 -18.810 4.270 639 1HZ LYS 81 HZ1 LYS 81 -5.134 -20.880 2.383 640 2HZ LYS 81 HZ2 LYS 81 -5.598 -21.074 3.997 641 3HZ LYS 81 HZ3 LYS 81 -4.159 -20.268 3.621 642 H ASN 82 HN ASN 82 -5.984 -18.738 -2.807 643 HA ASN 82 HA ASN 82 -5.601 -20.102 -4.594 644 1HB ASN 82 HB2 ASN 82 -7.679 -22.007 -3.544 645 2HB ASN 82 HB1 ASN 82 -6.197 -22.368 -4.421 646 1HD2 ASN 82 HD21 ASN 82 -4.213 -21.303 -3.126 647 2HD2 ASN 82 HD22 ASN 82 -4.147 -21.802 -1.474 648 H GLY 83 HN GLY 83 -7.295 -18.038 -5.075 649 1HA GLY 83 HA2 GLY 83 -8.673 -17.328 -6.769 650 2HA GLY 83 HA1 GLY 83 -8.718 -18.981 -7.347 651 H GLU 84 HN GLU 84 -9.703 -19.090 -4.179 652 HA GLU 84 HA GLU 84 -12.518 -18.699 -4.948 653 1HB GLU 84 HB2 GLU 84 -11.572 -21.126 -4.700 654 2HB GLU 84 HB1 GLU 84 -11.724 -20.809 -2.978 655 1HG GLU 84 HG2 GLU 84 -14.150 -20.104 -3.606 656 2HG GLU 84 HG1 GLU 84 -13.846 -21.060 -5.056 657 H VAL 85 HN VAL 85 -13.851 -17.744 -3.531 658 HA VAL 85 HA VAL 85 -12.735 -16.160 -1.447 659 HB VAL 85 HB VAL 85 -14.692 -15.392 -2.672 660 1HG1 VAL 85 HG11 VAL 85 -15.635 -17.980 -2.324 661 2HG1 VAL 85 HG12 VAL 85 -16.504 -16.626 -3.047 662 3HG1 VAL 85 HG13 VAL 85 -16.701 -16.984 -1.332 663 1HG2 VAL 85 HG21 VAL 85 -14.329 -14.525 -0.426 664 2HG2 VAL 85 HG22 VAL 85 -15.272 -15.853 0.254 665 3HG2 VAL 85 HG23 VAL 85 -16.055 -14.651 -0.771 666 H ALA 86 HN ALA 86 -12.221 -16.842 0.568 667 HA ALA 86 HA ALA 86 -13.660 -19.167 1.641 668 1HB ALA 86 HB1 ALA 86 -11.746 -20.014 2.487 669 2HB ALA 86 HB2 ALA 86 -11.084 -18.422 2.864 670 3HB ALA 86 HB3 ALA 86 -11.021 -19.035 1.211 671 H ALA 87 HN ALA 87 -13.988 -16.077 1.867 672 HA ALA 87 HA ALA 87 -15.209 -16.099 4.401 673 1HB ALA 87 HB1 ALA 87 -13.260 -14.103 4.894 674 2HB ALA 87 HB2 ALA 87 -12.418 -15.593 4.473 675 3HB ALA 87 HB3 ALA 87 -13.575 -15.581 5.802 676 H THR 88 HN THR 88 -16.579 -14.358 4.661 677 HA THR 88 HA THR 88 -16.243 -12.091 2.834 678 HB THR 88 HB THR 88 -17.815 -13.302 1.601 679 HG1 THR 88 HG1 THR 88 -19.503 -11.815 3.313 680 1HG2 THR 88 HG21 THR 88 -19.445 -13.898 4.049 681 2HG2 THR 88 HG22 THR 88 -18.255 -15.016 3.380 682 3HG2 THR 88 HG23 THR 88 -19.653 -14.535 2.418 683 H LYS 89 HN LYS 89 -16.391 -10.209 3.882 684 HA LYS 89 HA LYS 89 -18.022 -10.094 6.324 685 1HB LYS 89 HB2 LYS 89 -15.237 -9.863 6.182 686 2HB LYS 89 HB1 LYS 89 -15.813 -8.210 6.323 687 1HG LYS 89 HG2 LYS 89 -16.838 -10.323 8.172 688 2HG LYS 89 HG1 LYS 89 -15.274 -9.557 8.459 689 1HD LYS 89 HD2 LYS 89 -16.369 -7.354 8.428 690 2HD LYS 89 HD1 LYS 89 -17.927 -8.146 8.192 691 1HE LYS 89 HE2 LYS 89 -17.688 -9.281 10.333 692 2HE LYS 89 HE1 LYS 89 -16.104 -8.541 10.561 693 1HZ LYS 89 HZ1 LYS 89 -18.208 -7.497 11.641 694 2HZ LYS 89 HZ2 LYS 89 -18.436 -6.814 10.111 695 3HZ LYS 89 HZ3 LYS 89 -17.017 -6.498 10.974 696 H VAL 90 HN VAL 90 -19.279 -8.292 6.567 697 HA VAL 90 HA VAL 90 -19.188 -6.313 4.383 698 HB VAL 90 HB VAL 90 -21.670 -7.161 5.871 699 1HG1 VAL 90 HG11 VAL 90 -21.764 -4.927 4.906 700 2HG1 VAL 90 HG12 VAL 90 -22.831 -6.029 4.036 701 3HG1 VAL 90 HG13 VAL 90 -21.277 -5.570 3.339 702 1HG2 VAL 90 HG21 VAL 90 -20.350 -8.296 3.466 703 2HG2 VAL 90 HG22 VAL 90 -22.109 -8.161 3.455 704 3HG2 VAL 90 HG23 VAL 90 -21.304 -9.093 4.717 705 H GLY 91 HN GLY 91 -19.573 -4.119 4.885 706 1HA GLY 91 HA2 GLY 91 -19.899 -2.282 6.237 707 2HA GLY 91 HA1 GLY 91 -20.212 -3.360 7.584 708 H ALA 92 HN ALA 92 -18.738 -1.033 7.823 709 HA ALA 92 HA ALA 92 -15.938 -1.467 7.651 710 1HB ALA 92 HB1 ALA 92 -15.897 0.539 9.250 711 2HB ALA 92 HB2 ALA 92 -17.648 0.565 9.046 712 3HB ALA 92 HB3 ALA 92 -16.595 0.773 7.647 713 H LEU 93 HN LEU 93 -14.441 -1.887 9.268 714 HA LEU 93 HA LEU 93 -15.430 -2.728 11.880 715 1HB LEU 93 HB2 LEU 93 -13.857 -4.757 11.663 716 2HB LEU 93 HB1 LEU 93 -15.439 -4.829 10.913 717 HG LEU 93 HG LEU 93 -13.162 -3.903 9.236 718 1HD1 LEU 93 HD11 LEU 93 -12.066 -5.748 10.164 719 2HD1 LEU 93 HD12 LEU 93 -12.786 -6.367 8.676 720 3HD1 LEU 93 HD13 LEU 93 -13.547 -6.706 10.232 721 1HD2 LEU 93 HD21 LEU 93 -15.780 -5.280 8.891 722 2HD2 LEU 93 HD22 LEU 93 -14.516 -5.535 7.687 723 3HD2 LEU 93 HD23 LEU 93 -15.104 -3.905 8.018 724 H SER 94 HN SER 94 -13.822 -2.754 13.522 725 HA SER 94 HA SER 94 -11.877 -0.733 13.256 726 1HB SER 94 HB2 SER 94 -12.894 -1.221 15.412 727 2HB SER 94 HB1 SER 94 -12.197 -2.840 15.397 728 HG SER 94 HG SER 94 -10.762 -1.723 16.556 729 H LYS 95 HN LYS 95 -9.549 -1.310 14.212 730 HA LYS 95 HA LYS 95 -8.264 -2.793 12.145 731 1HB LYS 95 HB2 LYS 95 -7.241 -0.805 13.168 732 2HB LYS 95 HB1 LYS 95 -7.118 -1.661 14.702 733 1HG LYS 95 HG2 LYS 95 -5.322 -2.857 14.050 734 2HG LYS 95 HG1 LYS 95 -5.881 -2.989 12.380 735 1HD LYS 95 HD2 LYS 95 -5.333 -0.500 12.188 736 2HD LYS 95 HD1 LYS 95 -4.449 -0.703 13.703 737 1HE LYS 95 HE2 LYS 95 -3.099 -2.469 12.658 738 2HE LYS 95 HE1 LYS 95 -3.965 -2.222 11.142 739 1HZ LYS 95 HZ1 LYS 95 -1.684 -1.038 11.651 740 2HZ LYS 95 HZ2 LYS 95 -2.700 0.109 12.368 741 3HZ LYS 95 HZ3 LYS 95 -2.889 -0.283 10.733 742 H GLY 96 HN GLY 96 -9.160 -3.487 15.468 743 1HA GLY 96 HA2 GLY 96 -7.543 -5.846 15.633 744 2HA GLY 96 HA1 GLY 96 -8.779 -5.353 16.776 745 H GLN 97 HN GLN 97 -10.817 -5.154 14.641 746 HA GLN 97 HA GLN 97 -11.659 -7.898 14.715 747 1HB GLN 97 HB2 GLN 97 -12.954 -5.630 13.202 748 2HB GLN 97 HB1 GLN 97 -13.701 -7.135 13.723 749 1HG GLN 97 HG2 GLN 97 -13.567 -6.485 16.018 750 2HG GLN 97 HG1 GLN 97 -12.612 -5.061 15.609 751 1HE2 GLN 97 HE21 GLN 97 -14.716 -4.594 17.093 752 2HE2 GLN 97 HE22 GLN 97 -16.005 -3.877 16.194 753 H LEU 98 HN LEU 98 -10.270 -5.737 12.356 754 HA LEU 98 HA LEU 98 -10.731 -7.427 10.092 755 1HB LEU 98 HB2 LEU 98 -9.908 -4.836 10.401 756 2HB LEU 98 HB1 LEU 98 -8.403 -5.626 9.975 757 HG LEU 98 HG LEU 98 -10.927 -5.818 8.330 758 1HD1 LEU 98 HD11 LEU 98 -8.585 -4.247 7.422 759 2HD1 LEU 98 HD12 LEU 98 -9.643 -3.519 8.629 760 3HD1 LEU 98 HD13 LEU 98 -10.300 -4.032 7.076 761 1HD2 LEU 98 HD21 LEU 98 -9.463 -7.686 7.961 762 2HD2 LEU 98 HD22 LEU 98 -8.072 -6.615 7.794 763 3HD2 LEU 98 HD23 LEU 98 -9.352 -6.594 6.581 764 H LYS 99 HN LYS 99 -7.910 -6.751 12.136 765 HA LYS 99 HA LYS 99 -6.155 -8.593 10.957 766 1HB LYS 99 HB2 LYS 99 -5.762 -6.683 12.725 767 2HB LYS 99 HB1 LYS 99 -5.997 -7.983 13.884 768 1HG LYS 99 HG2 LYS 99 -4.195 -9.240 12.595 769 2HG LYS 99 HG1 LYS 99 -3.848 -7.698 11.810 770 1HD LYS 99 HD2 LYS 99 -2.355 -7.737 13.597 771 2HD LYS 99 HD1 LYS 99 -3.693 -6.763 14.209 772 1HE LYS 99 HE2 LYS 99 -4.612 -8.811 15.283 773 2HE LYS 99 HE1 LYS 99 -3.162 -9.677 14.773 774 1HZ LYS 99 HZ1 LYS 99 -2.038 -7.646 16.013 775 2HZ LYS 99 HZ2 LYS 99 -2.503 -9.051 16.831 776 3HZ LYS 99 HZ3 LYS 99 -3.493 -7.682 16.875 777 H GLU 100 HN GLU 100 -8.435 -8.970 13.668 778 HA GLU 100 HA GLU 100 -7.633 -11.569 14.387 779 1HB GLU 100 HB2 GLU 100 -9.484 -11.649 15.785 780 2HB GLU 100 HB1 GLU 100 -9.199 -9.924 15.642 781 1HG GLU 100 HG2 GLU 100 -11.406 -9.864 15.281 782 2HG GLU 100 HG1 GLU 100 -10.950 -10.277 13.632 783 H PHE 101 HN PHE 101 -9.943 -10.399 11.996 784 HA PHE 101 HA PHE 101 -11.064 -12.879 11.269 785 1HB PHE 101 HB2 PHE 101 -11.908 -10.568 10.663 786 2HB PHE 101 HB1 PHE 101 -10.626 -10.492 9.462 787 HD1 PHE 101 HD1 PHE 101 -12.893 -13.294 10.406 788 HD2 PHE 101 HD2 PHE 101 -11.648 -10.550 7.402 789 HE1 PHE 101 HE1 PHE 101 -14.348 -14.424 8.775 790 HE2 PHE 101 HE2 PHE 101 -13.101 -11.673 5.766 791 HZ PHE 101 HZ PHE 101 -14.454 -13.614 6.452 792 H LEU 102 HN LEU 102 -8.256 -11.092 10.106 793 HA LEU 102 HA LEU 102 -7.593 -12.876 7.998 794 1HB LEU 102 HB2 LEU 102 -6.371 -10.554 9.323 795 2HB LEU 102 HB1 LEU 102 -5.214 -11.703 8.677 796 HG LEU 102 HG LEU 102 -7.427 -10.424 7.077 797 1HD1 LEU 102 HD11 LEU 102 -4.652 -9.763 6.436 798 2HD1 LEU 102 HD12 LEU 102 -5.200 -9.153 7.996 799 3HD1 LEU 102 HD13 LEU 102 -6.077 -8.727 6.527 800 1HD2 LEU 102 HD21 LEU 102 -5.379 -12.481 6.512 801 2HD2 LEU 102 HD22 LEU 102 -5.679 -11.277 5.260 802 3HD2 LEU 102 HD23 LEU 102 -7.002 -12.281 5.854 803 H ASP 103 HN ASP 103 -6.191 -12.413 11.237 804 HA ASP 103 HA ASP 103 -4.352 -14.471 11.229 805 1HB ASP 103 HB2 ASP 103 -5.140 -12.666 13.076 806 2HB ASP 103 HB1 ASP 103 -5.883 -14.116 13.745 807 H ALA 104 HN ALA 104 -7.820 -14.595 11.783 808 HA ALA 104 HA ALA 104 -7.893 -17.326 12.602 809 1HB ALA 104 HB1 ALA 104 -9.693 -16.108 13.375 810 2HB ALA 104 HB2 ALA 104 -10.394 -17.012 12.032 811 3HB ALA 104 HB3 ALA 104 -9.957 -15.315 11.821 812 H ASN 105 HN ASN 105 -7.763 -15.794 9.492 813 HA ASN 105 HA ASN 105 -8.624 -18.303 8.211 814 1HB ASN 105 HB2 ASN 105 -9.520 -15.802 7.706 815 2HB ASN 105 HB1 ASN 105 -8.203 -15.896 6.541 816 1HD2 ASN 105 HD21 ASN 105 -9.737 -15.811 4.856 817 2HD2 ASN 105 HD22 ASN 105 -10.667 -17.202 4.426 818 H LEU 106 HN LEU 106 -5.951 -16.131 8.597 819 HA LEU 106 HA LEU 106 -4.391 -17.170 6.430 820 1HB LEU 106 HB2 LEU 106 -4.141 -14.869 7.292 821 2HB LEU 106 HB1 LEU 106 -3.571 -15.511 8.818 822 HG LEU 106 HG LEU 106 -1.826 -14.612 7.190 823 1HD1 LEU 106 HD11 LEU 106 -1.594 -16.292 9.193 824 2HD1 LEU 106 HD12 LEU 106 -0.233 -15.955 8.122 825 3HD1 LEU 106 HD13 LEU 106 -1.184 -17.425 7.905 826 1HD2 LEU 106 HD21 LEU 106 -1.785 -17.266 5.889 827 2HD2 LEU 106 HD22 LEU 106 -1.317 -15.684 5.265 828 3HD2 LEU 106 HD23 LEU 106 -3.021 -16.134 5.341 829 H VAL 107 HN VAL 107 -3.419 -17.096 9.849 830 HA VAL 107 HA VAL 107 -2.095 -18.533 11.033 831 HB VAL 107 HB VAL 107 -4.264 -19.426 11.524 832 1HG1 VAL 107 HG11 VAL 107 -3.984 -20.927 8.935 833 2HG1 VAL 107 HG12 VAL 107 -5.232 -19.773 9.399 834 3HG1 VAL 107 HG13 VAL 107 -5.161 -21.356 10.174 835 1HG2 VAL 107 HG21 VAL 107 -2.034 -20.744 12.006 836 2HG2 VAL 107 HG22 VAL 107 -2.779 -21.938 10.941 837 3HG2 VAL 107 HG23 VAL 107 -3.609 -21.428 12.412 Start of MODEL 15 1 1H MET 1 HT1 MET 1 2.674 -7.597 -3.378 2 2H MET 1 HT2 MET 1 2.184 -7.543 -1.734 3 3H MET 1 HT3 MET 1 3.824 -7.255 -2.153 4 HA MET 1 HA MET 1 2.688 -5.238 -1.620 5 1HB MET 1 HB2 MET 1 4.388 -5.750 -3.663 6 2HB MET 1 HB1 MET 1 3.046 -5.045 -4.554 7 1HG MET 1 HG2 MET 1 3.190 -3.016 -3.335 8 2HG MET 1 HG1 MET 1 4.316 -3.721 -2.175 9 1HE MET 1 HE1 MET 1 5.732 -0.955 -5.053 10 2HE MET 1 HE2 MET 1 5.063 -0.943 -3.421 11 3HE MET 1 HE3 MET 1 4.022 -1.302 -4.797 12 H VAL 2 HN VAL 2 0.917 -3.981 -1.721 13 HA VAL 2 HA VAL 2 -1.522 -5.040 -2.634 14 HB VAL 2 HB VAL 2 -0.887 -2.166 -1.944 15 1HG1 VAL 2 HG11 VAL 2 -3.546 -3.107 -1.280 16 2HG1 VAL 2 HG12 VAL 2 -3.225 -3.216 -3.008 17 3HG1 VAL 2 HG13 VAL 2 -3.047 -1.673 -2.178 18 1HG2 VAL 2 HG21 VAL 2 -0.623 -4.355 -0.306 19 2HG2 VAL 2 HG22 VAL 2 -2.244 -3.774 0.071 20 3HG2 VAL 2 HG23 VAL 2 -0.861 -2.690 0.226 21 H LYS 3 HN LYS 3 -2.841 -4.519 -4.368 22 HA LYS 3 HA LYS 3 -1.813 -2.675 -6.384 23 1HB LYS 3 HB2 LYS 3 -2.365 -4.473 -8.142 24 2HB LYS 3 HB1 LYS 3 -0.855 -4.632 -7.256 25 1HG LYS 3 HG2 LYS 3 -2.089 -6.204 -5.701 26 2HG LYS 3 HG1 LYS 3 -3.396 -6.191 -6.886 27 1HD LYS 3 HD2 LYS 3 -2.197 -8.033 -7.570 28 2HD LYS 3 HD1 LYS 3 -1.470 -6.770 -8.566 29 1HE LYS 3 HE2 LYS 3 0.525 -7.070 -7.625 30 2HE LYS 3 HE1 LYS 3 -0.156 -6.967 -6.001 31 1HZ LYS 3 HZ1 LYS 3 0.972 -9.125 -6.651 32 2HZ LYS 3 HZ2 LYS 3 -0.375 -9.427 -7.628 33 3HZ LYS 3 HZ3 LYS 3 -0.567 -9.252 -5.957 34 H GLN 4 HN GLN 4 -3.411 -1.410 -6.999 35 HA GLN 4 HA GLN 4 -6.112 -1.989 -6.275 36 1HB GLN 4 HB2 GLN 4 -5.511 0.294 -6.178 37 2HB GLN 4 HB1 GLN 4 -4.778 0.261 -7.773 38 1HG GLN 4 HG2 GLN 4 -6.876 1.493 -7.763 39 2HG GLN 4 HG1 GLN 4 -6.962 0.074 -8.803 40 1HE2 GLN 4 HE21 GLN 4 -7.725 1.189 -5.534 41 2HE2 GLN 4 HE22 GLN 4 -9.148 0.226 -5.348 42 H ILE 5 HN ILE 5 -7.613 -2.988 -7.463 43 HA ILE 5 HA ILE 5 -6.930 -3.723 -10.221 44 HB ILE 5 HB ILE 5 -8.579 -4.995 -8.085 45 1HG1 ILE 5 HG12 ILE 5 -7.306 -6.872 -8.505 46 2HG1 ILE 5 HG11 ILE 5 -7.099 -6.486 -10.206 47 1HG2 ILE 5 HG21 ILE 5 -10.299 -4.958 -9.657 48 2HG2 ILE 5 HG22 ILE 5 -9.532 -6.527 -9.902 49 3HG2 ILE 5 HG23 ILE 5 -9.193 -5.200 -11.010 50 1HD1 ILE 5 HD11 ILE 5 -5.294 -5.120 -9.809 51 2HD1 ILE 5 HD12 ILE 5 -5.087 -6.367 -8.579 52 3HD1 ILE 5 HD13 ILE 5 -5.765 -4.800 -8.140 53 H GLU 6 HN GLU 6 -7.666 -2.282 -11.647 54 HA GLU 6 HA GLU 6 -10.248 -0.989 -11.185 55 1HB GLU 6 HB2 GLU 6 -7.845 0.052 -12.031 56 2HB GLU 6 HB1 GLU 6 -8.731 -0.128 -13.539 57 1HG GLU 6 HG2 GLU 6 -10.301 1.424 -12.970 58 2HG GLU 6 HG1 GLU 6 -10.117 1.138 -11.240 59 H SER 7 HN SER 7 -9.752 -3.804 -12.251 60 HA SER 7 HA SER 7 -11.765 -3.654 -14.305 61 1HB SER 7 HB2 SER 7 -9.275 -3.424 -15.266 62 2HB SER 7 HB1 SER 7 -9.373 -5.183 -15.174 63 HG SER 7 HG SER 7 -10.281 -4.871 -17.073 64 H LYS 8 HN LYS 8 -12.554 -5.788 -14.957 65 HA LYS 8 HA LYS 8 -12.723 -7.551 -12.719 66 1HB LYS 8 HB2 LYS 8 -14.613 -7.173 -14.258 67 2HB LYS 8 HB1 LYS 8 -13.703 -7.937 -15.554 68 1HG LYS 8 HG2 LYS 8 -13.688 -9.771 -13.441 69 2HG LYS 8 HG1 LYS 8 -15.331 -9.132 -13.514 70 1HD LYS 8 HD2 LYS 8 -15.525 -10.825 -15.031 71 2HD LYS 8 HD1 LYS 8 -14.976 -9.541 -16.110 72 1HE LYS 8 HE2 LYS 8 -12.999 -10.541 -16.490 73 2HE LYS 8 HE1 LYS 8 -12.818 -11.040 -14.809 74 1HZ LYS 8 HZ1 LYS 8 -14.826 -12.406 -16.444 75 2HZ LYS 8 HZ2 LYS 8 -13.875 -13.005 -15.181 76 3HZ LYS 8 HZ3 LYS 8 -13.197 -12.779 -16.714 77 H THR 9 HN THR 9 -10.756 -7.398 -15.565 78 HA THR 9 HA THR 9 -9.950 -10.163 -15.481 79 HB THR 9 HB THR 9 -8.356 -8.075 -16.910 80 HG1 THR 9 HG1 THR 9 -9.872 -7.848 -18.462 81 1HG2 THR 9 HG21 THR 9 -7.766 -10.469 -17.089 82 2HG2 THR 9 HG22 THR 9 -8.180 -9.724 -18.634 83 3HG2 THR 9 HG23 THR 9 -9.345 -10.766 -17.815 84 H ALA 10 HN ALA 10 -8.790 -7.105 -14.259 85 HA ALA 10 HA ALA 10 -6.169 -7.909 -13.583 86 1HB ALA 10 HB1 ALA 10 -7.613 -5.842 -11.985 87 2HB ALA 10 HB2 ALA 10 -7.282 -5.540 -13.690 88 3HB ALA 10 HB3 ALA 10 -5.951 -5.850 -12.575 89 H PHE 11 HN PHE 11 -9.233 -8.017 -11.806 90 HA PHE 11 HA PHE 11 -8.222 -8.736 -9.287 91 1HB PHE 11 HB2 PHE 11 -10.646 -8.133 -10.008 92 2HB PHE 11 HB1 PHE 11 -10.809 -9.843 -10.380 93 HD1 PHE 11 HD1 PHE 11 -9.018 -8.212 -7.557 94 HD2 PHE 11 HD2 PHE 11 -12.279 -10.654 -8.786 95 HE1 PHE 11 HE1 PHE 11 -9.555 -8.672 -5.203 96 HE2 PHE 11 HE2 PHE 11 -12.823 -11.117 -6.432 97 HZ PHE 11 HZ PHE 11 -11.459 -10.126 -4.638 98 H GLN 12 HN GLN 12 -9.137 -10.728 -12.064 99 HA GLN 12 HA GLN 12 -8.601 -13.235 -10.852 100 1HB GLN 12 HB2 GLN 12 -8.467 -12.514 -13.790 101 2HB GLN 12 HB1 GLN 12 -8.620 -14.133 -13.123 102 1HG GLN 12 HG2 GLN 12 -10.698 -12.272 -12.246 103 2HG GLN 12 HG1 GLN 12 -10.682 -12.584 -13.981 104 1HE2 GLN 12 HE21 GLN 12 -9.871 -14.705 -11.270 105 2HE2 GLN 12 HE22 GLN 12 -11.071 -15.898 -11.614 106 H GLU 13 HN GLU 13 -6.689 -11.063 -12.891 107 HA GLU 13 HA GLU 13 -4.385 -12.598 -13.136 108 1HB GLU 13 HB2 GLU 13 -5.026 -9.699 -13.322 109 2HB GLU 13 HB1 GLU 13 -3.331 -10.155 -13.227 110 1HG GLU 13 HG2 GLU 13 -3.810 -11.737 -15.157 111 2HG GLU 13 HG1 GLU 13 -5.341 -10.879 -15.330 112 H ALA 14 HN ALA 14 -5.199 -10.145 -10.679 113 HA ALA 14 HA ALA 14 -2.775 -10.335 -9.250 114 1HB ALA 14 HB1 ALA 14 -4.201 -8.425 -8.949 115 2HB ALA 14 HB2 ALA 14 -4.050 -9.259 -7.403 116 3HB ALA 14 HB3 ALA 14 -5.517 -9.442 -8.366 117 H LEU 15 HN LEU 15 -5.735 -12.190 -9.164 118 HA LEU 15 HA LEU 15 -5.241 -13.496 -6.686 119 1HB LEU 15 HB2 LEU 15 -7.071 -13.969 -9.006 120 2HB LEU 15 HB1 LEU 15 -6.900 -15.202 -7.770 121 HG LEU 15 HG LEU 15 -7.652 -12.360 -7.124 122 1HD1 LEU 15 HD11 LEU 15 -9.922 -12.893 -7.234 123 2HD1 LEU 15 HD12 LEU 15 -9.603 -14.624 -7.361 124 3HD1 LEU 15 HD13 LEU 15 -9.244 -13.558 -8.720 125 1HD2 LEU 15 HD21 LEU 15 -8.558 -13.439 -5.081 126 2HD2 LEU 15 HD22 LEU 15 -6.808 -13.590 -5.244 127 3HD2 LEU 15 HD23 LEU 15 -7.849 -14.964 -5.619 128 H ASP 16 HN ASP 16 -4.468 -14.211 -10.051 129 HA ASP 16 HA ASP 16 -3.538 -16.844 -9.695 130 1HB ASP 16 HB2 ASP 16 -3.999 -15.673 -11.903 131 2HB ASP 16 HB1 ASP 16 -2.453 -14.853 -11.701 132 H ALA 17 HN ALA 17 -2.088 -13.706 -9.185 133 HA ALA 17 HA ALA 17 0.579 -14.685 -8.787 134 1HB ALA 17 HB1 ALA 17 0.949 -12.359 -7.867 135 2HB ALA 17 HB2 ALA 17 -0.742 -12.035 -8.254 136 3HB ALA 17 HB3 ALA 17 0.393 -12.448 -9.540 137 H ALA 18 HN ALA 18 -2.256 -14.303 -6.848 138 HA ALA 18 HA ALA 18 -1.015 -14.132 -4.310 139 1HB ALA 18 HB1 ALA 18 -3.340 -13.481 -4.666 140 2HB ALA 18 HB2 ALA 18 -3.196 -14.690 -3.393 141 3HB ALA 18 HB3 ALA 18 -3.764 -15.161 -4.994 142 H GLY 19 HN GLY 19 -1.937 -16.891 -6.367 143 1HA GLY 19 HA2 GLY 19 -1.486 -19.106 -6.148 144 2HA GLY 19 HA1 GLY 19 -0.098 -18.607 -5.195 145 H ASP 20 HN ASP 20 -0.015 -19.575 -3.317 146 HA ASP 20 HA ASP 20 -2.481 -20.531 -2.098 147 1HB ASP 20 HB2 ASP 20 -1.058 -21.920 -0.707 148 2HB ASP 20 HB1 ASP 20 -0.599 -22.101 -2.396 149 H LYS 21 HN LYS 21 -0.980 -17.684 -2.011 150 HA LYS 21 HA LYS 21 -0.790 -17.284 0.830 151 1HB LYS 21 HB2 LYS 21 -0.623 -15.425 -1.547 152 2HB LYS 21 HB1 LYS 21 -0.579 -14.842 0.110 153 1HG LYS 21 HG2 LYS 21 1.477 -15.898 0.541 154 2HG LYS 21 HG1 LYS 21 1.360 -16.893 -0.912 155 1HD LYS 21 HD2 LYS 21 1.719 -15.006 -2.327 156 2HD LYS 21 HD1 LYS 21 1.547 -13.886 -0.976 157 1HE LYS 21 HE2 LYS 21 3.865 -14.048 -1.426 158 2HE LYS 21 HE1 LYS 21 3.575 -14.978 0.042 159 1HZ LYS 21 HZ1 LYS 21 4.289 -15.915 -2.642 160 2HZ LYS 21 HZ2 LYS 21 3.338 -16.921 -1.671 161 3HZ LYS 21 HZ3 LYS 21 4.864 -16.424 -1.133 162 H LEU 22 HN LEU 22 -2.237 -15.997 2.055 163 HA LEU 22 HA LEU 22 -4.977 -16.222 1.219 164 1HB LEU 22 HB2 LEU 22 -4.491 -16.580 3.536 165 2HB LEU 22 HB1 LEU 22 -3.664 -15.041 3.663 166 HG LEU 22 HG LEU 22 -5.692 -13.823 3.605 167 1HD1 LEU 22 HD11 LEU 22 -6.709 -16.201 2.256 168 2HD1 LEU 22 HD12 LEU 22 -7.237 -14.521 2.150 169 3HD1 LEU 22 HD13 LEU 22 -7.818 -15.548 3.462 170 1HD2 LEU 22 HD21 LEU 22 -6.227 -16.296 5.239 171 2HD2 LEU 22 HD22 LEU 22 -6.900 -14.687 5.500 172 3HD2 LEU 22 HD23 LEU 22 -5.175 -14.969 5.729 173 H VAL 23 HN VAL 23 -6.265 -14.647 0.395 174 HA VAL 23 HA VAL 23 -4.997 -12.028 -0.037 175 HB VAL 23 HB VAL 23 -7.203 -13.140 -1.735 176 1HG1 VAL 23 HG11 VAL 23 -7.092 -11.113 -2.633 177 2HG1 VAL 23 HG12 VAL 23 -5.476 -11.519 -3.210 178 3HG1 VAL 23 HG13 VAL 23 -5.679 -10.703 -1.661 179 1HG2 VAL 23 HG21 VAL 23 -4.310 -13.785 -1.781 180 2HG2 VAL 23 HG22 VAL 23 -5.113 -13.523 -3.329 181 3HG2 VAL 23 HG23 VAL 23 -5.697 -14.775 -2.233 182 H VAL 24 HN VAL 24 -5.744 -10.595 1.319 183 HA VAL 24 HA VAL 24 -8.606 -10.593 1.980 184 HB VAL 24 HB VAL 24 -7.135 -10.621 3.940 185 1HG1 VAL 24 HG11 VAL 24 -5.507 -8.956 2.386 186 2HG1 VAL 24 HG12 VAL 24 -5.212 -9.522 4.030 187 3HG1 VAL 24 HG13 VAL 24 -6.024 -7.980 3.760 188 1HG2 VAL 24 HG21 VAL 24 -7.926 -7.854 4.237 189 2HG2 VAL 24 HG22 VAL 24 -8.545 -9.295 5.042 190 3HG2 VAL 24 HG23 VAL 24 -9.194 -8.814 3.474 191 H VAL 25 HN VAL 25 -9.781 -9.254 0.787 192 HA VAL 25 HA VAL 25 -8.500 -6.785 -0.173 193 HB VAL 25 HB VAL 25 -10.116 -7.017 -2.161 194 1HG1 VAL 25 HG11 VAL 25 -7.920 -9.067 -1.951 195 2HG1 VAL 25 HG12 VAL 25 -7.629 -7.343 -2.182 196 3HG1 VAL 25 HG13 VAL 25 -8.507 -8.261 -3.406 197 1HG2 VAL 25 HG21 VAL 25 -9.959 -9.937 -1.517 198 2HG2 VAL 25 HG22 VAL 25 -10.974 -9.115 -2.701 199 3HG2 VAL 25 HG23 VAL 25 -11.321 -8.956 -0.979 200 H ASP 26 HN ASP 26 -10.072 -5.091 -0.829 201 HA ASP 26 HA ASP 26 -12.461 -5.092 0.892 202 1HB ASP 26 HB2 ASP 26 -10.473 -3.762 1.807 203 2HB ASP 26 HB1 ASP 26 -10.756 -2.643 0.477 204 H PHE 27 HN PHE 27 -14.286 -4.430 -0.047 205 HA PHE 27 HA PHE 27 -14.140 -3.402 -2.799 206 1HB PHE 27 HB2 PHE 27 -16.088 -5.026 -1.271 207 2HB PHE 27 HB1 PHE 27 -16.784 -3.847 -2.382 208 HD1 PHE 27 HD1 PHE 27 -14.407 -6.684 -2.176 209 HD2 PHE 27 HD2 PHE 27 -16.835 -4.245 -4.684 210 HE1 PHE 27 HE1 PHE 27 -13.957 -8.189 -4.072 211 HE2 PHE 27 HE2 PHE 27 -16.393 -5.750 -6.581 212 HZ PHE 27 HZ PHE 27 -14.951 -7.724 -6.277 213 H SER 28 HN SER 28 -14.113 -1.229 -2.877 214 HA SER 28 HA SER 28 -16.042 0.248 -1.217 215 1HB SER 28 HB2 SER 28 -14.251 2.067 -1.039 216 2HB SER 28 HB1 SER 28 -14.020 0.621 -0.055 217 HG SER 28 HG SER 28 -12.397 -0.012 -1.326 218 H ALA 29 HN ALA 29 -16.815 2.200 -2.061 219 HA ALA 29 HA ALA 29 -16.556 2.439 -4.971 220 1HB ALA 29 HB1 ALA 29 -18.508 3.988 -3.300 221 2HB ALA 29 HB2 ALA 29 -18.820 2.300 -3.700 222 3HB ALA 29 HB3 ALA 29 -18.635 3.490 -4.988 223 H THR 30 HN THR 30 -16.303 4.657 -5.867 224 HA THR 30 HA THR 30 -14.256 6.095 -4.484 225 HB THR 30 HB THR 30 -15.838 7.229 -6.778 226 HG1 THR 30 HG1 THR 30 -15.132 5.745 -8.070 227 1HG2 THR 30 HG21 THR 30 -14.150 8.702 -6.015 228 2HG2 THR 30 HG22 THR 30 -13.557 7.958 -7.500 229 3HG2 THR 30 HG23 THR 30 -12.963 7.402 -5.935 230 H TRP 31 HN TRP 31 -17.672 6.449 -5.005 231 HA TRP 31 HA TRP 31 -17.879 8.997 -3.628 232 1HB TRP 31 HB2 TRP 31 -20.253 8.842 -4.124 233 2HB TRP 31 HB1 TRP 31 -19.328 8.415 -5.563 234 HD1 TRP 31 HD1 TRP 31 -19.351 5.806 -6.306 235 HE1 TRP 31 HE1 TRP 31 -21.011 3.897 -5.760 236 HE3 TRP 31 HE3 TRP 31 -21.825 7.944 -2.373 237 HZ2 TRP 31 HZ2 TRP 31 -23.079 3.385 -3.944 238 HZ3 TRP 31 HZ3 TRP 31 -23.632 6.676 -1.290 239 HH2 TRP 31 HH2 TRP 31 -24.242 4.442 -2.062 240 H CYS 32 HN CYS 32 -17.116 6.272 -2.254 241 HA CYS 32 HA CYS 32 -19.235 6.118 -0.271 242 1HB CYS 32 HB2 CYS 32 -18.182 4.043 -1.178 243 2HB CYS 32 HB1 CYS 32 -16.671 4.525 -0.415 244 H GLY 33 HN GLY 33 -18.797 6.229 2.014 245 1HA GLY 33 HA2 GLY 33 -16.740 8.258 2.597 246 2HA GLY 33 HA1 GLY 33 -18.215 8.020 3.523 247 HA PRO 34 HA PRO 34 -16.298 5.441 6.522 248 1HB PRO 34 HB2 PRO 34 -18.034 3.162 5.723 249 2HB PRO 34 HB1 PRO 34 -17.796 3.894 7.313 250 1HG PRO 34 HG2 PRO 34 -20.023 4.349 5.917 251 2HG PRO 34 HG1 PRO 34 -19.271 5.627 6.887 252 1HD PRO 34 HD2 PRO 34 -19.255 5.231 3.931 253 2HD PRO 34 HD1 PRO 34 -19.295 6.737 4.870 254 H CYS 35 HN CYS 35 -16.622 4.217 3.273 255 HA CYS 35 HA CYS 35 -14.989 1.940 3.447 256 1HB CYS 35 HB2 CYS 35 -15.393 3.831 1.115 257 2HB CYS 35 HB1 CYS 35 -14.673 2.229 1.004 258 H LYS 36 HN LYS 36 -14.274 5.336 2.979 259 HA LYS 36 HA LYS 36 -11.509 5.041 2.418 260 1HB LYS 36 HB2 LYS 36 -12.904 7.455 3.576 261 2HB LYS 36 HB1 LYS 36 -11.395 7.431 2.675 262 1HG LYS 36 HG2 LYS 36 -12.733 6.532 0.721 263 2HG LYS 36 HG1 LYS 36 -14.176 6.939 1.650 264 1HD LYS 36 HD2 LYS 36 -12.004 8.854 0.795 265 2HD LYS 36 HD1 LYS 36 -13.620 8.729 0.095 266 1HE LYS 36 HE2 LYS 36 -14.617 9.409 2.194 267 2HE LYS 36 HE1 LYS 36 -13.035 9.431 2.970 268 1HZ LYS 36 HZ1 LYS 36 -14.103 11.276 0.924 269 2HZ LYS 36 HZ2 LYS 36 -12.441 11.145 1.205 270 3HZ LYS 36 HZ3 LYS 36 -13.470 11.643 2.451 271 H MET 37 HN MET 37 -13.297 4.781 5.308 272 HA MET 37 HA MET 37 -11.271 5.684 7.121 273 1HB MET 37 HB2 MET 37 -13.726 3.981 7.569 274 2HB MET 37 HB1 MET 37 -12.676 4.557 8.855 275 1HG MET 37 HG2 MET 37 -13.156 6.895 8.001 276 2HG MET 37 HG1 MET 37 -14.436 6.164 7.034 277 1HE MET 37 HE1 MET 37 -16.622 7.799 9.697 278 2HE MET 37 HE2 MET 37 -16.837 6.963 8.159 279 3HE MET 37 HE3 MET 37 -15.578 8.187 8.328 280 H ILE 38 HN ILE 38 -11.901 2.726 5.453 281 HA ILE 38 HA ILE 38 -10.285 1.106 7.241 282 HB ILE 38 HB ILE 38 -11.368 0.330 4.537 283 1HG1 ILE 38 HG12 ILE 38 -13.128 1.196 6.142 284 2HG1 ILE 38 HG11 ILE 38 -13.362 -0.452 5.575 285 1HG2 ILE 38 HG21 ILE 38 -11.385 -1.910 6.035 286 2HG2 ILE 38 HG22 ILE 38 -9.997 -1.072 6.730 287 3HG2 ILE 38 HG23 ILE 38 -10.040 -1.424 5.003 288 1HD1 ILE 38 HD11 ILE 38 -12.887 -1.365 7.629 289 2HD1 ILE 38 HD12 ILE 38 -13.707 0.131 8.077 290 3HD1 ILE 38 HD13 ILE 38 -11.949 0.033 8.154 291 H LYS 39 HN LYS 39 -9.832 2.952 4.342 292 HA LYS 39 HA LYS 39 -7.806 1.690 3.025 293 1HB LYS 39 HB2 LYS 39 -8.591 4.520 3.387 294 2HB LYS 39 HB1 LYS 39 -6.979 4.234 2.740 295 1HG LYS 39 HG2 LYS 39 -8.070 2.737 1.024 296 2HG LYS 39 HG1 LYS 39 -9.616 3.376 1.584 297 1HD LYS 39 HD2 LYS 39 -9.269 5.412 0.643 298 2HD LYS 39 HD1 LYS 39 -7.527 5.362 0.922 299 1HE LYS 39 HE2 LYS 39 -7.325 4.947 -1.261 300 2HE LYS 39 HE1 LYS 39 -7.944 3.335 -0.903 301 1HZ LYS 39 HZ1 LYS 39 -9.068 4.903 -2.681 302 2HZ LYS 39 HZ2 LYS 39 -9.899 5.466 -1.320 303 3HZ LYS 39 HZ3 LYS 39 -9.978 3.829 -1.740 304 HA PRO 40 HA PRO 40 -4.393 3.968 5.720 305 1HB PRO 40 HB2 PRO 40 -5.336 4.438 8.307 306 2HB PRO 40 HB1 PRO 40 -5.073 5.658 7.059 307 1HG PRO 40 HG2 PRO 40 -7.596 4.286 7.866 308 2HG PRO 40 HG1 PRO 40 -7.339 5.971 7.375 309 1HD PRO 40 HD2 PRO 40 -8.429 4.207 5.695 310 2HD PRO 40 HD1 PRO 40 -7.278 5.428 5.111 311 H PHE 41 HN PHE 41 -6.783 2.044 7.579 312 HA PHE 41 HA PHE 41 -4.708 0.616 8.957 313 1HB PHE 41 HB2 PHE 41 -7.598 -0.220 8.826 314 2HB PHE 41 HB1 PHE 41 -6.435 -0.503 10.114 315 HD1 PHE 41 HD1 PHE 41 -5.420 1.795 11.100 316 HD2 PHE 41 HD2 PHE 41 -9.211 1.342 9.219 317 HE1 PHE 41 HE1 PHE 41 -6.238 3.795 12.275 318 HE2 PHE 41 HE2 PHE 41 -10.033 3.345 10.391 319 HZ PHE 41 HZ PHE 41 -8.547 4.573 11.921 320 H PHE 42 HN PHE 42 -6.693 -0.041 6.114 321 HA PHE 42 HA PHE 42 -6.192 -2.826 6.001 322 1HB PHE 42 HB2 PHE 42 -7.893 -1.300 4.668 323 2HB PHE 42 HB1 PHE 42 -6.586 -1.246 3.492 324 HD1 PHE 42 HD1 PHE 42 -8.711 -3.610 5.420 325 HD2 PHE 42 HD2 PHE 42 -6.320 -2.975 1.954 326 HE1 PHE 42 HE1 PHE 42 -9.459 -5.771 4.512 327 HE2 PHE 42 HE2 PHE 42 -7.066 -5.135 1.041 328 HZ PHE 42 HZ PHE 42 -8.638 -6.535 2.320 329 H HIS 43 HN HIS 43 -4.579 -0.039 4.538 330 HA HIS 43 HA HIS 43 -2.665 -1.535 3.094 331 1HB HIS 43 HB2 HIS 43 -3.408 1.144 3.282 332 2HB HIS 43 HB1 HIS 43 -1.734 1.112 3.825 333 HD1 HIS 43 HD1 HIS 43 -3.813 0.926 0.782 334 HD2 HIS 43 HD2 HIS 43 0.099 0.074 1.887 335 HE1 HIS 43 HE1 HIS 43 -2.499 0.715 -1.368 336 H SER 44 HN SER 44 -2.590 -0.091 6.352 337 HA SER 44 HA SER 44 0.147 -0.474 6.838 338 1HB SER 44 HB2 SER 44 -0.746 -0.623 9.318 339 2HB SER 44 HB1 SER 44 -0.837 0.895 8.425 340 HG SER 44 HG SER 44 -2.812 -0.287 9.562 341 H LEU 45 HN LEU 45 -2.640 -2.569 7.432 342 HA LEU 45 HA LEU 45 -1.304 -4.629 8.767 343 1HB LEU 45 HB2 LEU 45 -3.752 -4.649 7.001 344 2HB LEU 45 HB1 LEU 45 -3.207 -6.061 7.887 345 HG LEU 45 HG LEU 45 -3.653 -3.554 9.430 346 1HD1 LEU 45 HD11 LEU 45 -5.951 -5.339 8.680 347 2HD1 LEU 45 HD12 LEU 45 -5.600 -3.828 7.842 348 3HD1 LEU 45 HD13 LEU 45 -5.993 -3.812 9.561 349 1HD2 LEU 45 HD21 LEU 45 -2.873 -5.346 10.716 350 2HD2 LEU 45 HD22 LEU 45 -3.920 -6.506 9.899 351 3HD2 LEU 45 HD23 LEU 45 -4.611 -5.321 11.007 352 H SER 46 HN SER 46 -1.713 -3.939 5.345 353 HA SER 46 HA SER 46 -0.775 -6.325 4.244 354 1HB SER 46 HB2 SER 46 -0.124 -3.661 3.017 355 2HB SER 46 HB1 SER 46 -0.606 -5.160 2.225 356 HG SER 46 HG SER 46 -2.350 -3.775 2.208 357 H GLU 47 HN GLU 47 0.951 -3.683 5.759 358 HA GLU 47 HA GLU 47 3.512 -4.568 4.743 359 1HB GLU 47 HB2 GLU 47 2.562 -2.276 6.416 360 2HB GLU 47 HB1 GLU 47 4.268 -2.702 6.426 361 1HG GLU 47 HG2 GLU 47 4.530 -2.204 4.163 362 2HG GLU 47 HG1 GLU 47 2.795 -2.253 3.859 363 H LYS 48 HN LYS 48 1.519 -5.152 7.477 364 HA LYS 48 HA LYS 48 3.772 -6.119 9.077 365 1HB LYS 48 HB2 LYS 48 2.042 -4.777 10.204 366 2HB LYS 48 HB1 LYS 48 0.823 -5.955 9.740 367 1HG LYS 48 HG2 LYS 48 2.025 -7.660 11.071 368 2HG LYS 48 HG1 LYS 48 3.141 -6.402 11.607 369 1HD LYS 48 HD2 LYS 48 1.695 -6.202 13.326 370 2HD LYS 48 HD1 LYS 48 0.762 -5.240 12.176 371 1HE LYS 48 HE2 LYS 48 -0.828 -6.718 12.949 372 2HE LYS 48 HE1 LYS 48 -0.256 -7.534 11.495 373 1HZ LYS 48 HZ1 LYS 48 1.290 -8.792 12.979 374 2HZ LYS 48 HZ2 LYS 48 -0.350 -9.138 13.210 375 3HZ LYS 48 HZ3 LYS 48 0.467 -8.141 14.305 376 H TYR 49 HN TYR 49 1.333 -7.220 6.960 377 HA TYR 49 HA TYR 49 1.555 -10.006 7.857 378 1HB TYR 49 HB2 TYR 49 -0.375 -8.465 6.178 379 2HB TYR 49 HB1 TYR 49 -0.201 -10.190 5.878 380 HD1 TYR 49 HD1 TYR 49 -1.063 -11.807 7.415 381 HD2 TYR 49 HD2 TYR 49 -1.198 -7.662 8.366 382 HE1 TYR 49 HE1 TYR 49 -2.593 -12.289 9.279 383 HE2 TYR 49 HE2 TYR 49 -2.726 -8.133 10.233 384 HH TYR 49 HH TYR 49 -3.208 -11.147 11.502 385 H SER 50 HN SER 50 3.592 -10.621 7.076 386 HA SER 50 HA SER 50 4.185 -10.206 4.251 387 1HB SER 50 HB2 SER 50 5.925 -9.879 6.050 388 2HB SER 50 HB1 SER 50 5.899 -11.625 6.301 389 HG SER 50 HG SER 50 7.227 -10.234 4.459 390 H ASN 51 HN ASN 51 2.018 -11.734 4.412 391 HA ASN 51 HA ASN 51 2.914 -14.245 3.285 392 1HB ASN 51 HB2 ASN 51 2.579 -14.651 5.763 393 2HB ASN 51 HB1 ASN 51 0.874 -14.283 5.513 394 1HD2 ASN 51 HD21 ASN 51 2.371 -16.760 6.303 395 2HD2 ASN 51 HD22 ASN 51 1.785 -17.981 5.228 396 H VAL 52 HN VAL 52 0.185 -12.225 4.256 397 HA VAL 52 HA VAL 52 -1.496 -13.281 2.127 398 HB VAL 52 HB VAL 52 -3.285 -12.031 3.116 399 1HG1 VAL 52 HG11 VAL 52 -3.518 -13.286 4.985 400 2HG1 VAL 52 HG12 VAL 52 -1.931 -12.840 5.613 401 3HG1 VAL 52 HG13 VAL 52 -2.069 -14.069 4.355 402 1HG2 VAL 52 HG21 VAL 52 -2.815 -9.990 3.879 403 2HG2 VAL 52 HG22 VAL 52 -1.118 -10.390 4.144 404 3HG2 VAL 52 HG23 VAL 52 -2.321 -10.776 5.377 405 H ILE 53 HN ILE 53 -2.522 -11.958 0.574 406 HA ILE 53 HA ILE 53 -0.933 -9.597 -0.148 407 HB ILE 53 HB ILE 53 -1.143 -11.613 -1.735 408 1HG1 ILE 53 HG12 ILE 53 -1.476 -10.012 -3.731 409 2HG1 ILE 53 HG11 ILE 53 -1.631 -8.757 -2.507 410 1HG2 ILE 53 HG21 ILE 53 -3.645 -11.773 -1.440 411 2HG2 ILE 53 HG22 ILE 53 -3.041 -11.847 -3.094 412 3HG2 ILE 53 HG23 ILE 53 -3.762 -10.357 -2.486 413 1HD1 ILE 53 HD11 ILE 53 0.738 -10.578 -2.846 414 2HD1 ILE 53 HD12 ILE 53 0.587 -9.272 -1.672 415 3HD1 ILE 53 HD13 ILE 53 0.638 -8.906 -3.397 416 H PHE 54 HN PHE 54 -1.797 -7.739 0.360 417 HA PHE 54 HA PHE 54 -4.692 -7.460 0.700 418 1HB PHE 54 HB2 PHE 54 -2.266 -5.914 1.524 419 2HB PHE 54 HB1 PHE 54 -3.770 -5.045 1.344 420 HD1 PHE 54 HD1 PHE 54 -2.600 -8.216 3.008 421 HD2 PHE 54 HD2 PHE 54 -4.921 -4.651 3.229 422 HE1 PHE 54 HE1 PHE 54 -3.217 -8.752 5.334 423 HE2 PHE 54 HE2 PHE 54 -5.546 -5.191 5.543 424 HZ PHE 54 HZ PHE 54 -4.690 -7.241 6.599 425 H LEU 55 HN LEU 55 -5.837 -6.784 -1.103 426 HA LEU 55 HA LEU 55 -4.533 -4.728 -2.710 427 1HB LEU 55 HB2 LEU 55 -4.724 -5.735 -4.653 428 2HB LEU 55 HB1 LEU 55 -4.787 -7.205 -3.700 429 HG LEU 55 HG LEU 55 -7.450 -6.463 -3.909 430 1HD1 LEU 55 HD11 LEU 55 -6.896 -4.738 -5.538 431 2HD1 LEU 55 HD12 LEU 55 -7.779 -6.056 -6.309 432 3HD1 LEU 55 HD13 LEU 55 -6.033 -5.925 -6.516 433 1HD2 LEU 55 HD21 LEU 55 -5.781 -8.331 -5.590 434 2HD2 LEU 55 HD22 LEU 55 -7.545 -8.332 -5.546 435 3HD2 LEU 55 HD23 LEU 55 -6.627 -8.721 -4.091 436 H GLU 56 HN GLU 56 -6.058 -3.525 -4.117 437 HA GLU 56 HA GLU 56 -8.503 -3.004 -2.565 438 1HB GLU 56 HB2 GLU 56 -6.370 -1.406 -2.937 439 2HB GLU 56 HB1 GLU 56 -7.366 -0.921 -4.299 440 1HG GLU 56 HG2 GLU 56 -9.242 -0.577 -2.641 441 2HG GLU 56 HG1 GLU 56 -8.032 -0.772 -1.373 442 H VAL 57 HN VAL 57 -10.333 -3.448 -3.591 443 HA VAL 57 HA VAL 57 -10.378 -3.153 -6.522 444 HB VAL 57 HB VAL 57 -12.384 -4.816 -5.034 445 1HG1 VAL 57 HG11 VAL 57 -12.432 -3.979 -7.513 446 2HG1 VAL 57 HG12 VAL 57 -12.930 -5.622 -7.109 447 3HG1 VAL 57 HG13 VAL 57 -11.320 -5.325 -7.765 448 1HG2 VAL 57 HG21 VAL 57 -9.706 -5.757 -6.064 449 2HG2 VAL 57 HG22 VAL 57 -11.018 -6.807 -5.529 450 3HG2 VAL 57 HG23 VAL 57 -10.225 -5.730 -4.379 451 H ASP 58 HN ASP 58 -11.452 -1.454 -7.189 452 HA ASP 58 HA ASP 58 -13.469 -0.234 -5.456 453 1HB ASP 58 HB2 ASP 58 -11.707 1.237 -6.291 454 2HB ASP 58 HB1 ASP 58 -12.087 0.788 -7.949 455 H VAL 59 HN VAL 59 -15.538 -0.737 -5.804 456 HA VAL 59 HA VAL 59 -16.416 -2.284 -7.955 457 HB VAL 59 HB VAL 59 -17.577 -2.196 -5.793 458 1HG1 VAL 59 HG11 VAL 59 -18.635 -0.379 -4.941 459 2HG1 VAL 59 HG12 VAL 59 -19.002 0.295 -6.530 460 3HG1 VAL 59 HG13 VAL 59 -17.377 0.446 -5.861 461 1HG2 VAL 59 HG21 VAL 59 -19.747 -2.503 -6.631 462 2HG2 VAL 59 HG22 VAL 59 -18.673 -2.913 -7.968 463 3HG2 VAL 59 HG23 VAL 59 -19.495 -1.351 -7.943 464 H ASP 60 HN ASP 60 -15.889 1.099 -7.777 465 HA ASP 60 HA ASP 60 -17.763 1.972 -9.700 466 1HB ASP 60 HB2 ASP 60 -16.091 3.301 -8.108 467 2HB ASP 60 HB1 ASP 60 -15.073 3.261 -9.544 468 H ASP 61 HN ASP 61 -14.505 0.683 -9.905 469 HA ASP 61 HA ASP 61 -14.609 0.742 -12.834 470 1HB ASP 61 HB2 ASP 61 -12.331 0.209 -10.919 471 2HB ASP 61 HB1 ASP 61 -12.190 0.115 -12.672 472 H ALA 62 HN ALA 62 -14.436 -1.423 -10.090 473 HA ALA 62 HA ALA 62 -14.328 -3.765 -11.826 474 1HB ALA 62 HB1 ALA 62 -14.566 -4.250 -8.958 475 2HB ALA 62 HB2 ALA 62 -13.185 -3.240 -9.388 476 3HB ALA 62 HB3 ALA 62 -13.367 -4.838 -10.111 477 H GLN 63 HN GLN 63 -16.627 -2.342 -12.161 478 HA GLN 63 HA GLN 63 -18.764 -3.214 -10.498 479 1HB GLN 63 HB2 GLN 63 -18.533 -1.217 -12.251 480 2HB GLN 63 HB1 GLN 63 -19.280 -2.401 -13.315 481 1HG GLN 63 HG2 GLN 63 -20.512 -1.965 -10.656 482 2HG GLN 63 HG1 GLN 63 -20.700 -0.702 -11.873 483 1HE2 GLN 63 HE21 GLN 63 -21.276 -1.670 -14.113 484 2HE2 GLN 63 HE22 GLN 63 -22.557 -2.827 -14.101 485 H ASP 64 HN ASP 64 -16.934 -4.840 -12.797 486 HA ASP 64 HA ASP 64 -19.108 -6.589 -13.642 487 1HB ASP 64 HB2 ASP 64 -16.347 -6.035 -14.579 488 2HB ASP 64 HB1 ASP 64 -16.948 -7.674 -14.816 489 H VAL 65 HN VAL 65 -16.522 -6.502 -11.343 490 HA VAL 65 HA VAL 65 -16.404 -9.369 -11.044 491 HB VAL 65 HB VAL 65 -15.084 -8.772 -8.907 492 1HG1 VAL 65 HG11 VAL 65 -13.106 -8.026 -10.446 493 2HG1 VAL 65 HG12 VAL 65 -14.255 -8.358 -11.740 494 3HG1 VAL 65 HG13 VAL 65 -13.810 -9.634 -10.607 495 1HG2 VAL 65 HG21 VAL 65 -14.078 -6.579 -8.851 496 2HG2 VAL 65 HG22 VAL 65 -15.833 -6.430 -8.768 497 3HG2 VAL 65 HG23 VAL 65 -14.987 -6.092 -10.279 498 H ALA 66 HN ALA 66 -17.732 -6.651 -9.111 499 HA ALA 66 HA ALA 66 -18.648 -8.015 -6.931 500 1HB ALA 66 HB1 ALA 66 -19.246 -5.522 -8.256 501 2HB ALA 66 HB2 ALA 66 -19.245 -5.910 -6.536 502 3HB ALA 66 HB3 ALA 66 -20.688 -6.207 -7.505 503 HA PRO 67 HA PRO 67 -22.948 -8.840 -9.240 504 1HB PRO 67 HB2 PRO 67 -21.762 -8.988 -11.979 505 2HB PRO 67 HB1 PRO 67 -23.367 -8.442 -11.477 506 1HG PRO 67 HG2 PRO 67 -21.507 -6.665 -12.135 507 2HG PRO 67 HG1 PRO 67 -22.580 -6.370 -10.758 508 1HD PRO 67 HD2 PRO 67 -19.723 -7.227 -10.798 509 2HD PRO 67 HD1 PRO 67 -20.563 -6.135 -9.678 510 H LYS 68 HN LYS 68 -19.809 -10.039 -10.193 511 HA LYS 68 HA LYS 68 -20.691 -12.696 -10.812 512 1HB LYS 68 HB2 LYS 68 -18.364 -11.226 -11.223 513 2HB LYS 68 HB1 LYS 68 -17.884 -12.472 -10.078 514 1HG LYS 68 HG2 LYS 68 -18.371 -14.195 -11.553 515 2HG LYS 68 HG1 LYS 68 -19.424 -13.181 -12.541 516 1HD LYS 68 HD2 LYS 68 -17.471 -11.905 -13.300 517 2HD LYS 68 HD1 LYS 68 -16.423 -12.937 -12.323 518 1HE LYS 68 HE2 LYS 68 -18.235 -14.319 -14.200 519 2HE LYS 68 HE1 LYS 68 -16.942 -13.369 -14.930 520 1HZ LYS 68 HZ1 LYS 68 -15.528 -14.643 -13.137 521 2HZ LYS 68 HZ2 LYS 68 -15.875 -15.338 -14.640 522 3HZ LYS 68 HZ3 LYS 68 -16.776 -15.777 -13.278 523 H TYR 69 HN TYR 69 -19.831 -10.986 -7.924 524 HA TYR 69 HA TYR 69 -19.684 -13.503 -6.383 525 1HB TYR 69 HB2 TYR 69 -18.661 -10.721 -5.811 526 2HB TYR 69 HB1 TYR 69 -18.686 -12.010 -4.620 527 HD1 TYR 69 HD1 TYR 69 -17.480 -14.242 -5.381 528 HD2 TYR 69 HD2 TYR 69 -16.770 -10.407 -7.078 529 HE1 TYR 69 HE1 TYR 69 -15.298 -15.017 -6.210 530 HE2 TYR 69 HE2 TYR 69 -14.589 -11.169 -7.912 531 HH TYR 69 HH TYR 69 -12.904 -12.956 -7.288 532 H GLY 70 HN GLY 70 -21.766 -11.051 -7.160 533 1HA GLY 70 HA2 GLY 70 -23.829 -10.441 -6.351 534 2HA GLY 70 HA1 GLY 70 -23.717 -11.821 -5.274 535 H ILE 71 HN ILE 71 -21.461 -9.079 -5.293 536 HA ILE 71 HA ILE 71 -21.870 -8.694 -2.477 537 HB ILE 71 HB ILE 71 -20.326 -6.973 -4.432 538 1HG1 ILE 71 HG12 ILE 71 -19.247 -9.001 -2.468 539 2HG1 ILE 71 HG11 ILE 71 -19.551 -9.373 -4.160 540 1HG2 ILE 71 HG21 ILE 71 -20.891 -5.707 -2.466 541 2HG2 ILE 71 HG22 ILE 71 -19.183 -6.141 -2.391 542 3HG2 ILE 71 HG23 ILE 71 -20.359 -7.021 -1.417 543 1HD1 ILE 71 HD11 ILE 71 -18.029 -7.109 -4.321 544 2HD1 ILE 71 HD12 ILE 71 -17.438 -8.763 -4.483 545 3HD1 ILE 71 HD13 ILE 71 -17.344 -7.941 -2.925 546 H ARG 72 HN ARG 72 -23.156 -7.237 -1.468 547 HA ARG 72 HA ARG 72 -24.224 -4.964 -2.923 548 1HB ARG 72 HB2 ARG 72 -25.750 -6.970 -3.315 549 2HB ARG 72 HB1 ARG 72 -26.153 -6.866 -1.607 550 1HG ARG 72 HG2 ARG 72 -27.839 -5.746 -2.900 551 2HG ARG 72 HG1 ARG 72 -26.935 -4.554 -1.965 552 1HD ARG 72 HD2 ARG 72 -25.926 -3.662 -3.819 553 2HD ARG 72 HD1 ARG 72 -26.033 -5.165 -4.735 554 HE ARG 72 HE ARG 72 -27.953 -3.048 -4.665 555 1HH1 ARG 72 HH11 ARG 72 -27.577 -6.492 -5.089 556 2HH1 ARG 72 HH12 ARG 72 -29.015 -6.658 -6.040 557 1HH2 ARG 72 HH21 ARG 72 -29.844 -3.265 -5.916 558 2HH2 ARG 72 HH22 ARG 72 -30.301 -4.827 -6.510 559 H GLY 73 HN GLY 73 -22.458 -4.795 -0.919 560 1HA GLY 73 HA2 GLY 73 -23.786 -3.161 0.976 561 2HA GLY 73 HA1 GLY 73 -23.393 -4.710 1.704 562 H ILE 74 HN ILE 74 -22.193 -1.654 0.684 563 HA ILE 74 HA ILE 74 -19.425 -2.461 1.220 564 HB ILE 74 HB ILE 74 -18.849 -0.175 0.354 565 1HG1 ILE 74 HG12 ILE 74 -21.499 0.022 -0.960 566 2HG1 ILE 74 HG11 ILE 74 -21.454 0.439 0.751 567 1HG2 ILE 74 HG21 ILE 74 -19.138 -0.779 -1.974 568 2HG2 ILE 74 HG22 ILE 74 -20.399 -1.934 -1.541 569 3HG2 ILE 74 HG23 ILE 74 -18.735 -2.208 -1.025 570 1HD1 ILE 74 HD11 ILE 74 -20.682 2.441 0.231 571 2HD1 ILE 74 HD12 ILE 74 -20.707 2.012 -1.479 572 3HD1 ILE 74 HD13 ILE 74 -19.261 1.709 -0.515 573 HA PRO 75 HA PRO 75 -17.514 -1.203 1.583 574 1HB PRO 75 HB2 PRO 75 -15.994 -1.442 4.030 575 2HB PRO 75 HB1 PRO 75 -15.846 -0.228 2.760 576 1HG PRO 75 HG2 PRO 75 -16.749 0.307 5.288 577 2HG PRO 75 HG1 PRO 75 -17.179 1.263 3.860 578 1HD PRO 75 HD2 PRO 75 -18.753 -0.854 5.270 579 2HD PRO 75 HD1 PRO 75 -19.304 0.679 4.561 580 H THR 76 HN THR 76 -17.652 -3.296 0.879 581 HA THR 76 HA THR 76 -17.952 -5.456 2.791 582 HB THR 76 HB THR 76 -17.476 -6.197 -0.006 583 HG1 THR 76 HG1 THR 76 -18.583 -4.527 -0.708 584 1HG2 THR 76 HG21 THR 76 -19.140 -7.710 0.309 585 2HG2 THR 76 HG22 THR 76 -20.038 -6.667 1.413 586 3HG2 THR 76 HG23 THR 76 -18.589 -7.503 1.971 587 H LEU 77 HN LEU 77 -16.415 -6.877 3.381 588 HA LEU 77 HA LEU 77 -13.735 -6.509 2.232 589 1HB LEU 77 HB2 LEU 77 -14.620 -6.621 4.930 590 2HB LEU 77 HB1 LEU 77 -13.698 -8.081 4.634 591 HG LEU 77 HG LEU 77 -11.915 -6.443 3.654 592 1HD1 LEU 77 HD11 LEU 77 -11.908 -4.246 4.510 593 2HD1 LEU 77 HD12 LEU 77 -13.274 -4.576 5.576 594 3HD1 LEU 77 HD13 LEU 77 -13.517 -4.497 3.831 595 1HD2 LEU 77 HD21 LEU 77 -12.542 -7.062 6.502 596 2HD2 LEU 77 HD22 LEU 77 -11.190 -5.991 6.129 597 3HD2 LEU 77 HD23 LEU 77 -11.218 -7.636 5.489 598 H LEU 78 HN LEU 78 -12.946 -8.103 1.046 599 HA LEU 78 HA LEU 78 -14.319 -10.706 1.175 600 1HB LEU 78 HB2 LEU 78 -13.274 -9.094 -1.112 601 2HB LEU 78 HB1 LEU 78 -13.311 -10.836 -1.257 602 HG LEU 78 HG LEU 78 -15.610 -8.912 -1.061 603 1HD1 LEU 78 HD11 LEU 78 -14.390 -10.039 -3.182 604 2HD1 LEU 78 HD12 LEU 78 -16.087 -9.560 -3.155 605 3HD1 LEU 78 HD13 LEU 78 -15.640 -11.240 -2.854 606 1HD2 LEU 78 HD21 LEU 78 -17.084 -10.947 -0.904 607 2HD2 LEU 78 HD22 LEU 78 -16.231 -10.506 0.576 608 3HD2 LEU 78 HD23 LEU 78 -15.652 -11.848 -0.410 609 H LEU 79 HN LEU 79 -13.167 -12.520 1.385 610 HA LEU 79 HA LEU 79 -10.234 -12.281 1.441 611 1HB LEU 79 HB2 LEU 79 -12.170 -13.559 3.275 612 2HB LEU 79 HB1 LEU 79 -10.716 -14.480 2.947 613 HG LEU 79 HG LEU 79 -10.586 -13.092 5.002 614 1HD1 LEU 79 HD11 LEU 79 -8.668 -12.444 2.772 615 2HD1 LEU 79 HD12 LEU 79 -8.544 -13.755 3.945 616 3HD1 LEU 79 HD13 LEU 79 -8.381 -12.082 4.474 617 1HD2 LEU 79 HD21 LEU 79 -10.569 -10.754 4.955 618 2HD2 LEU 79 HD22 LEU 79 -11.935 -11.201 3.933 619 3HD2 LEU 79 HD23 LEU 79 -10.411 -10.700 3.199 620 H PHE 80 HN PHE 80 -9.217 -13.438 -0.065 621 HA PHE 80 HA PHE 80 -10.674 -15.671 -1.309 622 1HB PHE 80 HB2 PHE 80 -8.777 -13.626 -2.411 623 2HB PHE 80 HB1 PHE 80 -9.002 -15.157 -3.239 624 HD1 PHE 80 HD1 PHE 80 -10.659 -12.069 -2.130 625 HD2 PHE 80 HD2 PHE 80 -10.974 -15.594 -4.497 626 HE1 PHE 80 HE1 PHE 80 -12.666 -11.153 -3.211 627 HE2 PHE 80 HE2 PHE 80 -12.987 -14.686 -5.585 628 HZ PHE 80 HZ PHE 80 -13.837 -12.463 -4.941 629 H LYS 81 HN LYS 81 -9.637 -17.592 -1.712 630 HA LYS 81 HA LYS 81 -6.863 -17.936 -0.874 631 1HB LYS 81 HB2 LYS 81 -8.806 -18.447 0.950 632 2HB LYS 81 HB1 LYS 81 -8.714 -20.008 0.145 633 1HG LYS 81 HG2 LYS 81 -6.764 -20.515 1.100 634 2HG LYS 81 HG1 LYS 81 -6.104 -18.901 0.833 635 1HD LYS 81 HD2 LYS 81 -7.489 -18.102 2.754 636 2HD LYS 81 HD1 LYS 81 -7.937 -19.782 3.062 637 1HE LYS 81 HE2 LYS 81 -5.216 -18.509 3.246 638 2HE LYS 81 HE1 LYS 81 -6.137 -19.304 4.522 639 1HZ LYS 81 HZ1 LYS 81 -4.459 -20.798 3.836 640 2HZ LYS 81 HZ2 LYS 81 -4.811 -20.575 2.196 641 3HZ LYS 81 HZ3 LYS 81 -5.908 -21.392 3.191 642 H ASN 82 HN ASN 82 -5.978 -18.829 -2.632 643 HA ASN 82 HA ASN 82 -5.607 -20.227 -4.397 644 1HB ASN 82 HB2 ASN 82 -7.726 -22.055 -3.280 645 2HB ASN 82 HB1 ASN 82 -6.309 -22.483 -4.231 646 1HD2 ASN 82 HD21 ASN 82 -4.233 -21.428 -3.037 647 2HD2 ASN 82 HD22 ASN 82 -4.088 -21.952 -1.397 648 H GLY 83 HN GLY 83 -7.276 -18.132 -4.912 649 1HA GLY 83 HA2 GLY 83 -8.593 -17.427 -6.658 650 2HA GLY 83 HA1 GLY 83 -8.677 -19.091 -7.198 651 H GLU 84 HN GLU 84 -9.733 -19.152 -4.066 652 HA GLU 84 HA GLU 84 -12.519 -18.668 -4.898 653 1HB GLU 84 HB2 GLU 84 -11.562 -21.121 -4.492 654 2HB GLU 84 HB1 GLU 84 -11.938 -20.718 -2.823 655 1HG GLU 84 HG2 GLU 84 -14.015 -20.250 -4.895 656 2HG GLU 84 HG1 GLU 84 -13.686 -21.904 -4.381 657 H VAL 85 HN VAL 85 -13.883 -17.683 -3.475 658 HA VAL 85 HA VAL 85 -12.756 -16.063 -1.431 659 HB VAL 85 HB VAL 85 -15.686 -16.692 -1.841 660 1HG1 VAL 85 HG11 VAL 85 -15.821 -14.290 -0.899 661 2HG1 VAL 85 HG12 VAL 85 -14.188 -14.598 -0.311 662 3HG1 VAL 85 HG13 VAL 85 -15.523 -15.623 0.217 663 1HG2 VAL 85 HG21 VAL 85 -15.831 -15.059 -3.456 664 2HG2 VAL 85 HG22 VAL 85 -14.255 -15.760 -3.823 665 3HG2 VAL 85 HG23 VAL 85 -14.359 -14.248 -2.921 666 H ALA 86 HN ALA 86 -12.225 -16.699 0.600 667 HA ALA 86 HA ALA 86 -13.630 -19.022 1.713 668 1HB ALA 86 HB1 ALA 86 -11.616 -19.364 3.124 669 2HB ALA 86 HB2 ALA 86 -10.837 -18.050 2.240 670 3HB ALA 86 HB3 ALA 86 -11.315 -19.522 1.394 671 H ALA 87 HN ALA 87 -13.900 -15.900 1.894 672 HA ALA 87 HA ALA 87 -15.193 -15.876 4.391 673 1HB ALA 87 HB1 ALA 87 -12.400 -15.465 4.564 674 2HB ALA 87 HB2 ALA 87 -13.606 -15.362 5.846 675 3HB ALA 87 HB3 ALA 87 -13.189 -13.927 4.910 676 H THR 88 HN THR 88 -16.564 -14.139 4.554 677 HA THR 88 HA THR 88 -16.092 -11.846 2.791 678 HB THR 88 HB THR 88 -18.753 -13.269 2.934 679 HG1 THR 88 HG1 THR 88 -18.276 -14.071 0.923 680 1HG2 THR 88 HG21 THR 88 -18.151 -10.687 2.092 681 2HG2 THR 88 HG22 THR 88 -19.631 -11.597 1.792 682 3HG2 THR 88 HG23 THR 88 -18.319 -11.639 0.615 683 H LYS 89 HN LYS 89 -16.239 -10.032 3.934 684 HA LYS 89 HA LYS 89 -18.049 -9.993 6.258 685 1HB LYS 89 HB2 LYS 89 -15.251 -9.544 6.147 686 2HB LYS 89 HB1 LYS 89 -16.011 -7.996 6.491 687 1HG LYS 89 HG2 LYS 89 -16.463 -10.538 8.039 688 2HG LYS 89 HG1 LYS 89 -15.408 -9.210 8.528 689 1HD LYS 89 HD2 LYS 89 -17.621 -7.804 8.149 690 2HD LYS 89 HD1 LYS 89 -18.377 -9.365 8.472 691 1HE LYS 89 HE2 LYS 89 -16.352 -8.027 10.261 692 2HE LYS 89 HE1 LYS 89 -18.098 -7.964 10.497 693 1HZ LYS 89 HZ1 LYS 89 -16.555 -10.494 10.391 694 2HZ LYS 89 HZ2 LYS 89 -18.167 -10.293 10.862 695 3HZ LYS 89 HZ3 LYS 89 -16.922 -9.685 11.831 696 H VAL 90 HN VAL 90 -19.269 -8.167 6.628 697 HA VAL 90 HA VAL 90 -19.323 -6.178 4.448 698 HB VAL 90 HB VAL 90 -21.708 -7.054 6.080 699 1HG1 VAL 90 HG11 VAL 90 -22.364 -5.036 5.266 700 2HG1 VAL 90 HG12 VAL 90 -22.744 -6.020 3.852 701 3HG1 VAL 90 HG13 VAL 90 -21.244 -5.094 3.906 702 1HG2 VAL 90 HG21 VAL 90 -22.423 -8.311 4.104 703 2HG2 VAL 90 HG22 VAL 90 -20.900 -8.929 4.742 704 3HG2 VAL 90 HG23 VAL 90 -20.903 -7.913 3.301 705 H GLY 91 HN GLY 91 -19.689 -3.990 4.989 706 1HA GLY 91 HA2 GLY 91 -19.915 -2.157 6.360 707 2HA GLY 91 HA1 GLY 91 -20.190 -3.235 7.712 708 H ALA 92 HN ALA 92 -18.657 -0.899 7.840 709 HA ALA 92 HA ALA 92 -15.873 -1.442 7.609 710 1HB ALA 92 HB1 ALA 92 -16.769 0.828 7.504 711 2HB ALA 92 HB2 ALA 92 -15.566 0.671 8.785 712 3HB ALA 92 HB3 ALA 92 -17.283 0.708 9.186 713 H LEU 93 HN LEU 93 -14.409 -2.118 9.082 714 HA LEU 93 HA LEU 93 -15.371 -2.738 11.788 715 1HB LEU 93 HB2 LEU 93 -13.493 -4.660 11.422 716 2HB LEU 93 HB1 LEU 93 -15.216 -4.902 11.212 717 HG LEU 93 HG LEU 93 -13.688 -3.974 8.840 718 1HD1 LEU 93 HD11 LEU 93 -12.242 -5.710 9.858 719 2HD1 LEU 93 HD12 LEU 93 -12.912 -6.185 8.296 720 3HD1 LEU 93 HD13 LEU 93 -13.599 -6.834 9.786 721 1HD2 LEU 93 HD21 LEU 93 -16.246 -4.643 9.213 722 2HD2 LEU 93 HD22 LEU 93 -15.599 -6.233 8.812 723 3HD2 LEU 93 HD23 LEU 93 -15.407 -4.892 7.682 724 H SER 94 HN SER 94 -13.792 -2.660 13.451 725 HA SER 94 HA SER 94 -11.888 -0.604 13.125 726 1HB SER 94 HB2 SER 94 -12.444 -2.566 15.339 727 2HB SER 94 HB1 SER 94 -11.106 -1.421 15.440 728 HG SER 94 HG SER 94 -13.038 -0.612 16.387 729 H LYS 95 HN LYS 95 -9.572 -1.155 14.196 730 HA LYS 95 HA LYS 95 -8.213 -2.611 12.173 731 1HB LYS 95 HB2 LYS 95 -7.225 -0.659 13.268 732 2HB LYS 95 HB1 LYS 95 -7.190 -1.522 14.800 733 1HG LYS 95 HG2 LYS 95 -5.298 -2.580 14.285 734 2HG LYS 95 HG1 LYS 95 -5.852 -2.960 12.653 735 1HD LYS 95 HD2 LYS 95 -5.385 -0.530 12.088 736 2HD LYS 95 HD1 LYS 95 -4.542 -0.438 13.636 737 1HE LYS 95 HE2 LYS 95 -3.404 -2.651 12.630 738 2HE LYS 95 HE1 LYS 95 -3.776 -1.802 11.130 739 1HZ LYS 95 HZ1 LYS 95 -2.501 0.053 11.823 740 2HZ LYS 95 HZ2 LYS 95 -1.545 -1.316 12.091 741 3HZ LYS 95 HZ3 LYS 95 -2.317 -0.557 13.390 742 H GLY 96 HN GLY 96 -9.186 -3.365 15.468 743 1HA GLY 96 HA2 GLY 96 -7.619 -5.758 15.598 744 2HA GLY 96 HA1 GLY 96 -8.845 -5.258 16.745 745 H GLN 97 HN GLN 97 -10.902 -5.014 14.619 746 HA GLN 97 HA GLN 97 -11.741 -7.760 14.669 747 1HB GLN 97 HB2 GLN 97 -13.078 -5.517 13.164 748 2HB GLN 97 HB1 GLN 97 -13.797 -7.013 13.746 749 1HG GLN 97 HG2 GLN 97 -13.678 -6.303 16.001 750 2HG GLN 97 HG1 GLN 97 -12.654 -4.931 15.583 751 1HE2 GLN 97 HE21 GLN 97 -15.885 -6.274 15.282 752 2HE2 GLN 97 HE22 GLN 97 -16.695 -4.763 15.062 753 H LEU 98 HN LEU 98 -10.368 -5.575 12.329 754 HA LEU 98 HA LEU 98 -10.862 -7.240 10.056 755 1HB LEU 98 HB2 LEU 98 -10.044 -4.658 10.347 756 2HB LEU 98 HB1 LEU 98 -8.524 -5.439 9.955 757 HG LEU 98 HG LEU 98 -10.932 -5.920 8.237 758 1HD1 LEU 98 HD11 LEU 98 -10.776 -3.497 8.436 759 2HD1 LEU 98 HD12 LEU 98 -10.287 -4.033 6.829 760 3HD1 LEU 98 HD13 LEU 98 -9.065 -3.565 8.010 761 1HD2 LEU 98 HD21 LEU 98 -9.011 -5.971 6.523 762 2HD2 LEU 98 HD22 LEU 98 -9.183 -7.326 7.638 763 3HD2 LEU 98 HD23 LEU 98 -7.958 -6.092 7.934 764 H LYS 99 HN LYS 99 -8.025 -6.603 12.086 765 HA LYS 99 HA LYS 99 -6.288 -8.443 10.879 766 1HB LYS 99 HB2 LYS 99 -5.805 -6.554 12.589 767 2HB LYS 99 HB1 LYS 99 -6.152 -7.775 13.806 768 1HG LYS 99 HG2 LYS 99 -4.398 -9.201 12.594 769 2HG LYS 99 HG1 LYS 99 -3.919 -7.695 11.811 770 1HD LYS 99 HD2 LYS 99 -2.510 -7.765 13.649 771 2HD LYS 99 HD1 LYS 99 -3.836 -6.757 14.231 772 1HE LYS 99 HE2 LYS 99 -4.675 -9.300 14.855 773 2HE LYS 99 HE1 LYS 99 -2.936 -9.380 15.136 774 1HZ LYS 99 HZ1 LYS 99 -4.741 -7.321 16.286 775 2HZ LYS 99 HZ2 LYS 99 -3.092 -7.507 16.614 776 3HZ LYS 99 HZ3 LYS 99 -4.193 -8.692 17.112 777 H GLU 100 HN GLU 100 -8.531 -8.838 13.617 778 HA GLU 100 HA GLU 100 -7.713 -11.431 14.325 779 1HB GLU 100 HB2 GLU 100 -9.614 -11.554 15.694 780 2HB GLU 100 HB1 GLU 100 -9.223 -9.844 15.648 781 1HG GLU 100 HG2 GLU 100 -11.000 -9.416 14.112 782 2HG GLU 100 HG1 GLU 100 -11.321 -11.138 13.927 783 H PHE 101 HN PHE 101 -10.164 -10.307 12.024 784 HA PHE 101 HA PHE 101 -11.216 -12.826 11.326 785 1HB PHE 101 HB2 PHE 101 -12.223 -10.592 10.798 786 2HB PHE 101 HB1 PHE 101 -10.967 -10.358 9.589 787 HD1 PHE 101 HD1 PHE 101 -13.405 -13.044 10.510 788 HD2 PHE 101 HD2 PHE 101 -11.623 -10.698 7.436 789 HE1 PHE 101 HE1 PHE 101 -14.813 -14.174 8.836 790 HE2 PHE 101 HE2 PHE 101 -13.030 -11.821 5.760 791 HZ PHE 101 HZ PHE 101 -14.627 -13.561 6.458 792 H LEU 102 HN LEU 102 -8.551 -10.899 10.045 793 HA LEU 102 HA LEU 102 -7.931 -12.649 7.899 794 1HB LEU 102 HB2 LEU 102 -6.892 -10.196 9.005 795 2HB LEU 102 HB1 LEU 102 -5.575 -11.296 8.635 796 HG LEU 102 HG LEU 102 -7.725 -10.543 6.660 797 1HD1 LEU 102 HD11 LEU 102 -6.086 -8.698 7.542 798 2HD1 LEU 102 HD12 LEU 102 -6.433 -8.850 5.821 799 3HD1 LEU 102 HD13 LEU 102 -4.937 -9.513 6.480 800 1HD2 LEU 102 HD21 LEU 102 -6.882 -12.431 5.754 801 2HD2 LEU 102 HD22 LEU 102 -5.357 -12.304 6.630 802 3HD2 LEU 102 HD23 LEU 102 -5.633 -11.319 5.194 803 H ASP 103 HN ASP 103 -6.383 -12.142 11.070 804 HA ASP 103 HA ASP 103 -4.503 -14.179 10.935 805 1HB ASP 103 HB2 ASP 103 -5.088 -12.368 12.812 806 2HB ASP 103 HB1 ASP 103 -5.883 -13.759 13.545 807 H ALA 104 HN ALA 104 -7.938 -14.346 11.715 808 HA ALA 104 HA ALA 104 -7.908 -17.067 12.570 809 1HB ALA 104 HB1 ALA 104 -9.664 -15.508 13.263 810 2HB ALA 104 HB2 ALA 104 -10.332 -16.940 12.479 811 3HB ALA 104 HB3 ALA 104 -10.236 -15.416 11.597 812 H ASN 105 HN ASN 105 -7.876 -15.578 9.472 813 HA ASN 105 HA ASN 105 -8.746 -18.092 8.205 814 1HB ASN 105 HB2 ASN 105 -9.638 -15.594 7.675 815 2HB ASN 105 HB1 ASN 105 -8.318 -15.700 6.514 816 1HD2 ASN 105 HD21 ASN 105 -9.849 -15.621 4.834 817 2HD2 ASN 105 HD22 ASN 105 -10.770 -17.017 4.397 818 H LEU 106 HN LEU 106 -6.066 -15.904 8.545 819 HA LEU 106 HA LEU 106 -4.507 -16.890 6.377 820 1HB LEU 106 HB2 LEU 106 -4.142 -14.685 7.370 821 2HB LEU 106 HB1 LEU 106 -3.695 -15.434 8.889 822 HG LEU 106 HG LEU 106 -1.810 -14.548 7.428 823 1HD1 LEU 106 HD11 LEU 106 -0.390 -15.954 8.458 824 2HD1 LEU 106 HD12 LEU 106 -1.241 -17.398 7.909 825 3HD1 LEU 106 HD13 LEU 106 -1.857 -16.480 9.282 826 1HD2 LEU 106 HD21 LEU 106 -1.894 -17.117 5.948 827 2HD2 LEU 106 HD22 LEU 106 -1.205 -15.562 5.486 828 3HD2 LEU 106 HD23 LEU 106 -2.947 -15.815 5.395 829 H VAL 107 HN VAL 107 -3.716 -18.873 6.246 830 HA VAL 107 HA VAL 107 -2.177 -20.008 8.392 831 HB VAL 107 HB VAL 107 -3.513 -22.183 8.348 832 1HG1 VAL 107 HG11 VAL 107 -4.658 -21.578 10.259 833 2HG1 VAL 107 HG12 VAL 107 -5.089 -19.990 9.624 834 3HG1 VAL 107 HG13 VAL 107 -3.436 -20.309 10.149 835 1HG2 VAL 107 HG21 VAL 107 -5.488 -20.306 7.082 836 2HG2 VAL 107 HG22 VAL 107 -6.002 -21.738 7.976 837 3HG2 VAL 107 HG23 VAL 107 -4.987 -21.910 6.543 Start of MODEL 16 1 1H MET 1 HT1 MET 1 2.803 -3.609 -2.907 2 2H MET 1 HT2 MET 1 3.020 -4.999 -3.891 3 3H MET 1 HT3 MET 1 4.135 -4.652 -2.632 4 HA MET 1 HA MET 1 2.650 -6.416 -2.034 5 1HB MET 1 HB2 MET 1 2.593 -3.765 -0.630 6 2HB MET 1 HB1 MET 1 1.709 -5.131 0.038 7 1HG MET 1 HG2 MET 1 4.633 -5.248 -0.635 8 2HG MET 1 HG1 MET 1 4.026 -4.745 0.942 9 1HE MET 1 HE1 MET 1 5.389 -8.335 1.681 10 2HE MET 1 HE2 MET 1 5.390 -6.647 2.194 11 3HE MET 1 HE3 MET 1 6.082 -7.095 0.635 12 H VAL 2 HN VAL 2 0.875 -3.328 -2.174 13 HA VAL 2 HA VAL 2 -1.610 -4.825 -2.605 14 HB VAL 2 HB VAL 2 -1.264 -1.897 -1.931 15 1HG1 VAL 2 HG11 VAL 2 -3.436 -2.962 -3.079 16 2HG1 VAL 2 HG12 VAL 2 -3.520 -1.664 -1.894 17 3HG1 VAL 2 HG13 VAL 2 -3.797 -3.332 -1.395 18 1HG2 VAL 2 HG21 VAL 2 -0.652 -2.732 0.069 19 2HG2 VAL 2 HG22 VAL 2 -1.350 -4.316 -0.259 20 3HG2 VAL 2 HG23 VAL 2 -2.384 -2.989 0.268 21 H LYS 3 HN LYS 3 -2.999 -4.344 -4.329 22 HA LYS 3 HA LYS 3 -2.022 -2.492 -6.366 23 1HB LYS 3 HB2 LYS 3 -2.545 -4.380 -8.076 24 2HB LYS 3 HB1 LYS 3 -0.998 -4.383 -7.245 25 1HG LYS 3 HG2 LYS 3 -2.184 -5.948 -5.553 26 2HG LYS 3 HG1 LYS 3 -3.354 -6.178 -6.854 27 1HD LYS 3 HD2 LYS 3 -1.902 -7.873 -7.342 28 2HD LYS 3 HD1 LYS 3 -1.159 -6.571 -8.275 29 1HE LYS 3 HE2 LYS 3 0.230 -6.113 -6.174 30 2HE LYS 3 HE1 LYS 3 -0.319 -7.694 -5.619 31 1HZ LYS 3 HZ1 LYS 3 0.887 -8.775 -7.206 32 2HZ LYS 3 HZ2 LYS 3 1.891 -7.436 -6.961 33 3HZ LYS 3 HZ3 LYS 3 0.856 -7.483 -8.297 34 H GLN 4 HN GLN 4 -3.652 -1.269 -6.944 35 HA GLN 4 HA GLN 4 -6.344 -1.912 -6.277 36 1HB GLN 4 HB2 GLN 4 -5.756 0.382 -6.201 37 2HB GLN 4 HB1 GLN 4 -5.052 0.340 -7.810 38 1HG GLN 4 HG2 GLN 4 -7.170 1.542 -7.773 39 2HG GLN 4 HG1 GLN 4 -7.252 0.110 -8.798 40 1HE2 GLN 4 HE21 GLN 4 -7.987 1.254 -5.529 41 2HE2 GLN 4 HE22 GLN 4 -9.387 0.266 -5.312 42 H ILE 5 HN ILE 5 -7.812 -2.952 -7.467 43 HA ILE 5 HA ILE 5 -7.090 -3.686 -10.216 44 HB ILE 5 HB ILE 5 -8.613 -5.041 -8.067 45 1HG1 ILE 5 HG12 ILE 5 -7.383 -6.915 -8.735 46 2HG1 ILE 5 HG11 ILE 5 -7.187 -6.319 -10.378 47 1HG2 ILE 5 HG21 ILE 5 -10.413 -4.845 -9.646 48 2HG2 ILE 5 HG22 ILE 5 -9.801 -6.497 -9.685 49 3HG2 ILE 5 HG23 ILE 5 -9.368 -5.366 -10.967 50 1HD1 ILE 5 HD11 ILE 5 -5.923 -4.775 -8.185 51 2HD1 ILE 5 HD12 ILE 5 -5.388 -5.038 -9.845 52 3HD1 ILE 5 HD13 ILE 5 -5.203 -6.317 -8.646 53 H GLU 6 HN GLU 6 -7.886 -2.372 -11.694 54 HA GLU 6 HA GLU 6 -10.510 -1.157 -11.257 55 1HB GLU 6 HB2 GLU 6 -8.078 -0.352 -12.742 56 2HB GLU 6 HB1 GLU 6 -9.617 0.099 -13.461 57 1HG GLU 6 HG2 GLU 6 -10.245 1.198 -11.341 58 2HG GLU 6 HG1 GLU 6 -8.642 0.820 -10.708 59 H SER 7 HN SER 7 -9.856 -3.964 -12.323 60 HA SER 7 HA SER 7 -11.854 -3.874 -14.413 61 1HB SER 7 HB2 SER 7 -9.339 -3.609 -15.305 62 2HB SER 7 HB1 SER 7 -9.416 -5.368 -15.212 63 HG SER 7 HG SER 7 -10.194 -4.929 -17.187 64 H LYS 8 HN LYS 8 -12.536 -6.030 -15.113 65 HA LYS 8 HA LYS 8 -12.780 -7.797 -12.884 66 1HB LYS 8 HB2 LYS 8 -14.593 -7.419 -14.523 67 2HB LYS 8 HB1 LYS 8 -13.613 -8.188 -15.763 68 1HG LYS 8 HG2 LYS 8 -13.622 -10.113 -13.866 69 2HG LYS 8 HG1 LYS 8 -15.202 -9.372 -13.602 70 1HD LYS 8 HD2 LYS 8 -15.707 -10.963 -15.190 71 2HD LYS 8 HD1 LYS 8 -15.399 -9.549 -16.199 72 1HE LYS 8 HE2 LYS 8 -13.484 -10.409 -17.054 73 2HE LYS 8 HE1 LYS 8 -13.067 -11.248 -15.561 74 1HZ LYS 8 HZ1 LYS 8 -13.632 -12.763 -17.396 75 2HZ LYS 8 HZ2 LYS 8 -15.194 -12.115 -17.444 76 3HZ LYS 8 HZ3 LYS 8 -14.667 -12.947 -16.070 77 H THR 9 HN THR 9 -10.766 -7.627 -15.710 78 HA THR 9 HA THR 9 -9.862 -10.359 -15.562 79 HB THR 9 HB THR 9 -8.348 -8.236 -17.024 80 HG1 THR 9 HG1 THR 9 -9.872 -8.216 -18.645 81 1HG2 THR 9 HG21 THR 9 -7.463 -10.365 -17.398 82 2HG2 THR 9 HG22 THR 9 -8.453 -10.027 -18.818 83 3HG2 THR 9 HG23 THR 9 -9.059 -11.097 -17.553 84 H ALA 10 HN ALA 10 -8.837 -7.247 -14.361 85 HA ALA 10 HA ALA 10 -6.183 -7.938 -13.685 86 1HB ALA 10 HB1 ALA 10 -6.240 -5.952 -12.237 87 2HB ALA 10 HB2 ALA 10 -7.985 -5.842 -12.471 88 3HB ALA 10 HB3 ALA 10 -6.897 -5.617 -13.840 89 H PHE 11 HN PHE 11 -9.224 -8.076 -11.858 90 HA PHE 11 HA PHE 11 -8.189 -8.776 -9.362 91 1HB PHE 11 HB2 PHE 11 -10.629 -8.255 -10.062 92 2HB PHE 11 HB1 PHE 11 -10.744 -9.969 -10.442 93 HD1 PHE 11 HD1 PHE 11 -9.053 -8.203 -7.634 94 HD2 PHE 11 HD2 PHE 11 -12.097 -10.924 -8.834 95 HE1 PHE 11 HE1 PHE 11 -9.548 -8.682 -5.274 96 HE2 PHE 11 HE2 PHE 11 -12.595 -11.411 -6.474 97 HZ PHE 11 HZ PHE 11 -11.320 -10.289 -4.690 98 H GLN 12 HN GLN 12 -8.948 -10.790 -12.159 99 HA GLN 12 HA GLN 12 -8.366 -13.275 -10.907 100 1HB GLN 12 HB2 GLN 12 -8.394 -12.461 -13.819 101 2HB GLN 12 HB1 GLN 12 -8.165 -14.115 -13.269 102 1HG GLN 12 HG2 GLN 12 -10.599 -12.392 -12.895 103 2HG GLN 12 HG1 GLN 12 -10.447 -13.830 -13.902 104 1HE2 GLN 12 HE21 GLN 12 -10.589 -12.633 -10.620 105 2HE2 GLN 12 HE22 GLN 12 -11.029 -14.133 -9.885 106 H GLU 13 HN GLU 13 -6.488 -11.034 -12.907 107 HA GLU 13 HA GLU 13 -4.147 -12.512 -13.136 108 1HB GLU 13 HB2 GLU 13 -4.840 -9.625 -13.309 109 2HB GLU 13 HB1 GLU 13 -3.139 -10.049 -13.182 110 1HG GLU 13 HG2 GLU 13 -3.227 -11.330 -15.183 111 2HG GLU 13 HG1 GLU 13 -4.985 -11.211 -15.250 112 H ALA 14 HN ALA 14 -5.040 -10.109 -10.658 113 HA ALA 14 HA ALA 14 -2.622 -10.291 -9.212 114 1HB ALA 14 HB1 ALA 14 -4.011 -9.303 -7.337 115 2HB ALA 14 HB2 ALA 14 -5.373 -9.350 -8.456 116 3HB ALA 14 HB3 ALA 14 -3.951 -8.381 -8.839 117 H LEU 15 HN LEU 15 -5.573 -12.160 -9.166 118 HA LEU 15 HA LEU 15 -5.112 -13.477 -6.693 119 1HB LEU 15 HB2 LEU 15 -6.884 -13.961 -9.054 120 2HB LEU 15 HB1 LEU 15 -6.704 -15.216 -7.844 121 HG LEU 15 HG LEU 15 -7.503 -12.418 -7.082 122 1HD1 LEU 15 HD11 LEU 15 -9.829 -13.123 -7.173 123 2HD1 LEU 15 HD12 LEU 15 -9.347 -14.682 -7.841 124 3HD1 LEU 15 HD13 LEU 15 -9.090 -13.206 -8.773 125 1HD2 LEU 15 HD21 LEU 15 -8.209 -13.385 -5.072 126 2HD2 LEU 15 HD22 LEU 15 -6.679 -14.187 -5.425 127 3HD2 LEU 15 HD23 LEU 15 -8.203 -15.014 -5.747 128 H ASP 16 HN ASP 16 -4.274 -14.209 -10.047 129 HA ASP 16 HA ASP 16 -3.323 -16.823 -9.665 130 1HB ASP 16 HB2 ASP 16 -3.667 -15.298 -11.845 131 2HB ASP 16 HB1 ASP 16 -1.930 -15.087 -11.642 132 H ALA 17 HN ALA 17 -1.872 -13.684 -9.146 133 HA ALA 17 HA ALA 17 0.773 -14.703 -8.667 134 1HB ALA 17 HB1 ALA 17 0.521 -12.451 -9.500 135 2HB ALA 17 HB2 ALA 17 1.248 -12.400 -7.894 136 3HB ALA 17 HB3 ALA 17 -0.459 -12.008 -8.102 137 H ALA 18 HN ALA 18 -2.122 -14.274 -6.856 138 HA ALA 18 HA ALA 18 -1.020 -14.068 -4.256 139 1HB ALA 18 HB1 ALA 18 -3.228 -14.567 -3.453 140 2HB ALA 18 HB2 ALA 18 -3.702 -15.208 -5.026 141 3HB ALA 18 HB3 ALA 18 -3.359 -13.488 -4.842 142 H GLY 19 HN GLY 19 -1.696 -16.819 -6.388 143 1HA GLY 19 HA2 GLY 19 -1.262 -19.037 -6.142 144 2HA GLY 19 HA1 GLY 19 0.063 -18.523 -5.109 145 H ASP 20 HN ASP 20 0.055 -19.553 -3.260 146 HA ASP 20 HA ASP 20 -2.455 -20.550 -2.166 147 1HB ASP 20 HB2 ASP 20 -1.086 -21.936 -0.737 148 2HB ASP 20 HB1 ASP 20 -0.486 -22.054 -2.387 149 H LYS 21 HN LYS 21 -0.945 -17.700 -1.971 150 HA LYS 21 HA LYS 21 -0.897 -17.299 0.864 151 1HB LYS 21 HB2 LYS 21 -0.750 -15.338 -1.434 152 2HB LYS 21 HB1 LYS 21 -0.493 -14.927 0.256 153 1HG LYS 21 HG2 LYS 21 1.515 -16.121 0.363 154 2HG LYS 21 HG1 LYS 21 1.162 -17.015 -1.117 155 1HD LYS 21 HD2 LYS 21 1.591 -15.146 -2.476 156 2HD LYS 21 HD1 LYS 21 1.506 -14.031 -1.111 157 1HE LYS 21 HE2 LYS 21 3.765 -14.147 -1.308 158 2HE LYS 21 HE1 LYS 21 3.523 -15.546 -0.263 159 1HZ LYS 21 HZ1 LYS 21 3.286 -16.759 -2.551 160 2HZ LYS 21 HZ2 LYS 21 4.813 -16.446 -1.896 161 3HZ LYS 21 HZ3 LYS 21 4.196 -15.450 -3.114 162 H LEU 22 HN LEU 22 -2.346 -15.993 2.049 163 HA LEU 22 HA LEU 22 -5.074 -16.204 1.180 164 1HB LEU 22 HB2 LEU 22 -4.625 -16.548 3.501 165 2HB LEU 22 HB1 LEU 22 -3.754 -15.033 3.624 166 HG LEU 22 HG LEU 22 -5.739 -13.755 3.572 167 1HD1 LEU 22 HD11 LEU 22 -7.925 -15.386 3.387 168 2HD1 LEU 22 HD12 LEU 22 -6.829 -16.090 2.198 169 3HD1 LEU 22 HD13 LEU 22 -7.281 -14.389 2.083 170 1HD2 LEU 22 HD21 LEU 22 -5.221 -15.341 5.602 171 2HD2 LEU 22 HD22 LEU 22 -6.751 -16.076 5.127 172 3HD2 LEU 22 HD23 LEU 22 -6.690 -14.367 5.558 173 H VAL 23 HN VAL 23 -6.349 -14.617 0.341 174 HA VAL 23 HA VAL 23 -5.058 -12.008 -0.076 175 HB VAL 23 HB VAL 23 -7.266 -13.099 -1.790 176 1HG1 VAL 23 HG11 VAL 23 -7.177 -10.974 -2.497 177 2HG1 VAL 23 HG12 VAL 23 -5.694 -11.466 -3.316 178 3HG1 VAL 23 HG13 VAL 23 -5.612 -10.688 -1.736 179 1HG2 VAL 23 HG21 VAL 23 -5.769 -14.691 -2.378 180 2HG2 VAL 23 HG22 VAL 23 -4.390 -13.764 -1.785 181 3HG2 VAL 23 HG23 VAL 23 -5.098 -13.384 -3.355 182 H VAL 24 HN VAL 24 -5.788 -10.503 1.164 183 HA VAL 24 HA VAL 24 -8.626 -10.494 1.921 184 HB VAL 24 HB VAL 24 -7.097 -10.507 3.837 185 1HG1 VAL 24 HG11 VAL 24 -5.182 -9.393 3.874 186 2HG1 VAL 24 HG12 VAL 24 -6.008 -7.858 3.610 187 3HG1 VAL 24 HG13 VAL 24 -5.517 -8.844 2.232 188 1HG2 VAL 24 HG21 VAL 24 -9.241 -8.912 3.537 189 2HG2 VAL 24 HG22 VAL 24 -8.016 -7.707 3.932 190 3HG2 VAL 24 HG23 VAL 24 -8.326 -9.045 5.039 191 H VAL 25 HN VAL 25 -9.787 -9.247 0.653 192 HA VAL 25 HA VAL 25 -8.584 -6.747 -0.334 193 HB VAL 25 HB VAL 25 -10.189 -7.049 -2.311 194 1HG1 VAL 25 HG11 VAL 25 -8.548 -8.138 -3.549 195 2HG1 VAL 25 HG12 VAL 25 -8.082 -9.175 -2.203 196 3HG1 VAL 25 HG13 VAL 25 -7.643 -7.466 -2.192 197 1HG2 VAL 25 HG21 VAL 25 -11.098 -9.119 -2.772 198 2HG2 VAL 25 HG22 VAL 25 -11.332 -8.996 -1.027 199 3HG2 VAL 25 HG23 VAL 25 -10.003 -9.957 -1.673 200 H ASP 26 HN ASP 26 -10.240 -5.126 -1.023 201 HA ASP 26 HA ASP 26 -12.638 -5.217 0.671 202 1HB ASP 26 HB2 ASP 26 -10.829 -3.930 1.808 203 2HB ASP 26 HB1 ASP 26 -10.822 -2.810 0.450 204 H PHE 27 HN PHE 27 -14.450 -4.451 -0.227 205 HA PHE 27 HA PHE 27 -14.286 -3.416 -2.972 206 1HB PHE 27 HB2 PHE 27 -16.316 -4.911 -1.402 207 2HB PHE 27 HB1 PHE 27 -16.934 -3.729 -2.556 208 HD1 PHE 27 HD1 PHE 27 -14.734 -6.692 -2.234 209 HD2 PHE 27 HD2 PHE 27 -16.967 -4.180 -4.847 210 HE1 PHE 27 HE1 PHE 27 -14.337 -8.268 -4.084 211 HE2 PHE 27 HE2 PHE 27 -16.581 -5.755 -6.698 212 HZ PHE 27 HZ PHE 27 -15.262 -7.799 -6.318 213 H SER 28 HN SER 28 -14.058 -1.234 -2.964 214 HA SER 28 HA SER 28 -15.704 0.320 -1.077 215 1HB SER 28 HB2 SER 28 -13.169 1.293 -2.390 216 2HB SER 28 HB1 SER 28 -14.009 1.983 -1.002 217 HG SER 28 HG SER 28 -12.417 -0.324 -1.157 218 H ALA 29 HN ALA 29 -15.448 2.791 -2.056 219 HA ALA 29 HA ALA 29 -16.223 2.894 -4.849 220 1HB ALA 29 HB1 ALA 29 -18.246 2.515 -3.059 221 2HB ALA 29 HB2 ALA 29 -18.427 3.307 -4.624 222 3HB ALA 29 HB3 ALA 29 -18.195 4.274 -3.166 223 H THR 30 HN THR 30 -16.247 5.094 -5.681 224 HA THR 30 HA THR 30 -14.351 6.794 -4.367 225 HB THR 30 HB THR 30 -16.130 7.406 -6.735 226 HG1 THR 30 HG1 THR 30 -14.910 6.026 -7.715 227 1HG2 THR 30 HG21 THR 30 -13.708 8.751 -5.612 228 2HG2 THR 30 HG22 THR 30 -15.249 9.456 -6.100 229 3HG2 THR 30 HG23 THR 30 -14.118 8.876 -7.323 230 H TRP 31 HN TRP 31 -17.804 6.676 -4.793 231 HA TRP 31 HA TRP 31 -18.290 9.215 -3.474 232 1HB TRP 31 HB2 TRP 31 -20.638 8.737 -3.933 233 2HB TRP 31 HB1 TRP 31 -19.676 8.430 -5.377 234 HD1 TRP 31 HD1 TRP 31 -19.297 5.811 -6.059 235 HE1 TRP 31 HE1 TRP 31 -20.699 3.707 -5.500 236 HE3 TRP 31 HE3 TRP 31 -22.135 7.677 -2.233 237 HZ2 TRP 31 HZ2 TRP 31 -22.728 2.963 -3.730 238 HZ3 TRP 31 HZ3 TRP 31 -23.785 6.198 -1.162 239 HH2 TRP 31 HH2 TRP 31 -24.068 3.888 -1.899 240 H CYS 32 HN CYS 32 -17.218 6.527 -2.151 241 HA CYS 32 HA CYS 32 -19.217 6.233 -0.058 242 1HB CYS 32 HB2 CYS 32 -18.085 4.240 -1.098 243 2HB CYS 32 HB1 CYS 32 -16.592 4.767 -0.329 244 H GLY 33 HN GLY 33 -18.641 6.297 2.197 245 1HA GLY 33 HA2 GLY 33 -16.616 8.376 2.729 246 2HA GLY 33 HA1 GLY 33 -18.058 8.111 3.699 247 HA PRO 34 HA PRO 34 -16.034 5.431 6.551 248 1HB PRO 34 HB2 PRO 34 -17.727 3.128 5.735 249 2HB PRO 34 HB1 PRO 34 -17.498 3.846 7.333 250 1HG PRO 34 HG2 PRO 34 -19.749 4.250 5.967 251 2HG PRO 34 HG1 PRO 34 -19.021 5.545 6.935 252 1HD PRO 34 HD2 PRO 34 -18.991 5.143 3.973 253 2HD PRO 34 HD1 PRO 34 -19.127 6.648 4.907 254 H CYS 35 HN CYS 35 -16.419 4.283 3.286 255 HA CYS 35 HA CYS 35 -14.769 2.025 3.342 256 1HB CYS 35 HB2 CYS 35 -15.251 3.981 1.084 257 2HB CYS 35 HB1 CYS 35 -14.526 2.388 0.902 258 H LYS 36 HN LYS 36 -13.999 5.436 2.809 259 HA LYS 36 HA LYS 36 -11.244 5.036 2.252 260 1HB LYS 36 HB2 LYS 36 -12.978 7.370 2.906 261 2HB LYS 36 HB1 LYS 36 -11.238 7.565 3.061 262 1HG LYS 36 HG2 LYS 36 -10.881 7.435 0.821 263 2HG LYS 36 HG1 LYS 36 -12.264 6.371 0.550 264 1HD LYS 36 HD2 LYS 36 -13.247 8.212 -0.282 265 2HD LYS 36 HD1 LYS 36 -13.486 8.646 1.412 266 1HE LYS 36 HE2 LYS 36 -10.915 9.379 0.102 267 2HE LYS 36 HE1 LYS 36 -12.357 10.313 -0.294 268 1HZ LYS 36 HZ1 LYS 36 -12.395 11.264 1.723 269 2HZ LYS 36 HZ2 LYS 36 -10.762 10.830 1.786 270 3HZ LYS 36 HZ3 LYS 36 -11.924 9.855 2.534 271 H MET 37 HN MET 37 -13.050 4.994 5.156 272 HA MET 37 HA MET 37 -10.964 5.831 6.924 273 1HB MET 37 HB2 MET 37 -13.445 4.225 7.550 274 2HB MET 37 HB1 MET 37 -12.426 5.066 8.712 275 1HG MET 37 HG2 MET 37 -14.002 6.380 6.511 276 2HG MET 37 HG1 MET 37 -14.489 6.286 8.202 277 1HE MET 37 HE1 MET 37 -14.605 8.743 9.022 278 2HE MET 37 HE2 MET 37 -13.088 9.328 9.705 279 3HE MET 37 HE3 MET 37 -13.647 7.694 10.066 280 H ILE 38 HN ILE 38 -11.829 2.809 5.431 281 HA ILE 38 HA ILE 38 -10.280 1.220 7.301 282 HB ILE 38 HB ILE 38 -11.361 0.265 4.661 283 1HG1 ILE 38 HG12 ILE 38 -13.121 1.445 6.071 284 2HG1 ILE 38 HG11 ILE 38 -13.464 -0.227 5.647 285 1HG2 ILE 38 HG21 ILE 38 -10.287 -0.973 7.123 286 2HG2 ILE 38 HG22 ILE 38 -10.136 -1.475 5.438 287 3HG2 ILE 38 HG23 ILE 38 -11.626 -1.798 6.325 288 1HD1 ILE 38 HD11 ILE 38 -12.974 -0.978 7.827 289 2HD1 ILE 38 HD12 ILE 38 -13.989 0.454 8.007 290 3HD1 ILE 38 HD13 ILE 38 -12.249 0.567 8.273 291 H LYS 39 HN LYS 39 -9.771 2.858 4.298 292 HA LYS 39 HA LYS 39 -7.770 1.406 3.092 293 1HB LYS 39 HB2 LYS 39 -8.821 4.026 2.889 294 2HB LYS 39 HB1 LYS 39 -7.072 4.184 2.967 295 1HG LYS 39 HG2 LYS 39 -6.854 2.614 1.099 296 2HG LYS 39 HG1 LYS 39 -8.611 2.485 1.014 297 1HD LYS 39 HD2 LYS 39 -8.672 4.973 0.659 298 2HD LYS 39 HD1 LYS 39 -6.915 4.921 0.496 299 1HE LYS 39 HE2 LYS 39 -8.499 3.033 -1.152 300 2HE LYS 39 HE1 LYS 39 -8.557 4.738 -1.594 301 1HZ LYS 39 HZ1 LYS 39 -6.718 3.140 -2.533 302 2HZ LYS 39 HZ2 LYS 39 -5.936 3.538 -1.086 303 3HZ LYS 39 HZ3 LYS 39 -6.372 4.757 -2.174 304 HA PRO 40 HA PRO 40 -4.542 3.970 5.863 305 1HB PRO 40 HB2 PRO 40 -6.293 4.054 8.275 306 2HB PRO 40 HB1 PRO 40 -5.094 5.223 7.711 307 1HG PRO 40 HG2 PRO 40 -7.697 5.689 7.400 308 2HG PRO 40 HG1 PRO 40 -6.531 6.143 6.144 309 1HD PRO 40 HD2 PRO 40 -8.457 3.870 6.212 310 2HD PRO 40 HD1 PRO 40 -7.896 4.836 4.833 311 H PHE 41 HN PHE 41 -6.832 1.890 7.674 312 HA PHE 41 HA PHE 41 -4.683 0.498 8.977 313 1HB PHE 41 HB2 PHE 41 -7.569 -0.361 8.869 314 2HB PHE 41 HB1 PHE 41 -6.371 -0.745 10.099 315 HD1 PHE 41 HD1 PHE 41 -5.309 1.465 11.216 316 HD2 PHE 41 HD2 PHE 41 -9.155 1.180 9.418 317 HE1 PHE 41 HE1 PHE 41 -6.071 3.389 12.547 318 HE2 PHE 41 HE2 PHE 41 -9.923 3.104 10.744 319 HZ PHE 41 HZ PHE 41 -8.378 4.212 12.311 320 H PHE 42 HN PHE 42 -6.653 -0.077 6.123 321 HA PHE 42 HA PHE 42 -6.168 -2.859 5.923 322 1HB PHE 42 HB2 PHE 42 -7.874 -1.324 4.661 323 2HB PHE 42 HB1 PHE 42 -6.556 -1.117 3.514 324 HD1 PHE 42 HD1 PHE 42 -8.659 -3.682 5.168 325 HD2 PHE 42 HD2 PHE 42 -6.141 -2.722 1.872 326 HE1 PHE 42 HE1 PHE 42 -9.309 -5.783 4.064 327 HE2 PHE 42 HE2 PHE 42 -6.788 -4.820 0.762 328 HZ PHE 42 HZ PHE 42 -8.375 -6.352 1.858 329 H HIS 43 HN HIS 43 -4.597 -0.031 4.490 330 HA HIS 43 HA HIS 43 -2.648 -1.481 3.046 331 1HB HIS 43 HB2 HIS 43 -3.417 1.194 3.254 332 2HB HIS 43 HB1 HIS 43 -1.750 1.169 3.821 333 HD1 HIS 43 HD1 HIS 43 -3.688 1.311 0.757 334 HD2 HIS 43 HD2 HIS 43 0.034 -0.145 1.891 335 HE1 HIS 43 HE1 HIS 43 -2.366 1.002 -1.377 336 H SER 44 HN SER 44 -2.633 -0.034 6.295 337 HA SER 44 HA SER 44 0.082 -0.395 6.850 338 1HB SER 44 HB2 SER 44 -1.202 0.984 8.316 339 2HB SER 44 HB1 SER 44 -2.351 -0.313 8.638 340 HG SER 44 HG SER 44 -0.860 -0.055 10.348 341 H LEU 45 HN LEU 45 -2.694 -2.544 7.372 342 HA LEU 45 HA LEU 45 -1.334 -4.604 8.690 343 1HB LEU 45 HB2 LEU 45 -3.746 -4.700 6.875 344 2HB LEU 45 HB1 LEU 45 -3.185 -6.067 7.820 345 HG LEU 45 HG LEU 45 -3.781 -3.511 9.238 346 1HD1 LEU 45 HD11 LEU 45 -5.920 -5.492 8.494 347 2HD1 LEU 45 HD12 LEU 45 -5.685 -3.945 7.681 348 3HD1 LEU 45 HD13 LEU 45 -6.109 -3.986 9.392 349 1HD2 LEU 45 HD21 LEU 45 -4.718 -5.374 10.824 350 2HD2 LEU 45 HD22 LEU 45 -2.985 -5.063 10.728 351 3HD2 LEU 45 HD23 LEU 45 -3.687 -6.425 9.854 352 H SER 46 HN SER 46 -1.859 -3.984 5.253 353 HA SER 46 HA SER 46 -0.819 -6.321 4.179 354 1HB SER 46 HB2 SER 46 -1.961 -4.557 2.864 355 2HB SER 46 HB1 SER 46 -0.547 -3.523 3.054 356 HG SER 46 HG SER 46 0.243 -4.508 1.389 357 H GLU 47 HN GLU 47 0.836 -3.616 5.664 358 HA GLU 47 HA GLU 47 3.423 -4.427 4.634 359 1HB GLU 47 HB2 GLU 47 2.378 -2.137 6.221 360 2HB GLU 47 HB1 GLU 47 4.073 -2.556 6.426 361 1HG GLU 47 HG2 GLU 47 4.315 -2.405 3.937 362 2HG GLU 47 HG1 GLU 47 2.678 -1.756 3.886 363 H LYS 48 HN LYS 48 1.447 -5.086 7.343 364 HA LYS 48 HA LYS 48 3.709 -6.001 8.960 365 1HB LYS 48 HB2 LYS 48 1.862 -4.685 10.011 366 2HB LYS 48 HB1 LYS 48 0.756 -5.997 9.625 367 1HG LYS 48 HG2 LYS 48 2.292 -7.492 10.986 368 2HG LYS 48 HG1 LYS 48 3.049 -6.004 11.559 369 1HD LYS 48 HD2 LYS 48 1.482 -6.256 13.193 370 2HD LYS 48 HD1 LYS 48 0.516 -5.352 12.027 371 1HE LYS 48 HE2 LYS 48 -0.949 -7.019 12.008 372 2HE LYS 48 HE1 LYS 48 0.289 -8.062 11.312 373 1HZ LYS 48 HZ1 LYS 48 -0.261 -7.665 14.203 374 2HZ LYS 48 HZ2 LYS 48 1.013 -8.590 13.587 375 3HZ LYS 48 HZ3 LYS 48 -0.586 -9.057 13.296 376 H TYR 49 HN TYR 49 1.306 -7.136 6.813 377 HA TYR 49 HA TYR 49 1.604 -9.920 7.688 378 1HB TYR 49 HB2 TYR 49 -0.383 -8.423 6.037 379 2HB TYR 49 HB1 TYR 49 -0.166 -10.142 5.725 380 HD1 TYR 49 HD1 TYR 49 -1.121 -11.764 7.160 381 HD2 TYR 49 HD2 TYR 49 -1.036 -7.680 8.349 382 HE1 TYR 49 HE1 TYR 49 -2.608 -12.287 9.048 383 HE2 TYR 49 HE2 TYR 49 -2.521 -8.192 10.239 384 HH TYR 49 HH TYR 49 -4.323 -10.894 10.476 385 H SER 50 HN SER 50 3.658 -10.431 6.906 386 HA SER 50 HA SER 50 4.237 -10.017 4.080 387 1HB SER 50 HB2 SER 50 5.851 -11.009 6.422 388 2HB SER 50 HB1 SER 50 6.424 -11.221 4.768 389 HG SER 50 HG SER 50 6.435 -9.003 6.314 390 H ASN 51 HN ASN 51 2.086 -11.624 4.292 391 HA ASN 51 HA ASN 51 3.063 -14.088 3.148 392 1HB ASN 51 HB2 ASN 51 2.602 -14.247 5.787 393 2HB ASN 51 HB1 ASN 51 0.961 -14.513 5.207 394 1HD2 ASN 51 HD21 ASN 51 0.921 -16.637 5.893 395 2HD2 ASN 51 HD22 ASN 51 1.821 -17.886 5.108 396 H VAL 52 HN VAL 52 0.307 -12.119 4.138 397 HA VAL 52 HA VAL 52 -1.377 -13.292 2.060 398 HB VAL 52 HB VAL 52 -3.203 -12.080 3.041 399 1HG1 VAL 52 HG11 VAL 52 -1.991 -14.100 4.265 400 2HG1 VAL 52 HG12 VAL 52 -3.410 -13.301 4.942 401 3HG1 VAL 52 HG13 VAL 52 -1.799 -12.878 5.522 402 1HG2 VAL 52 HG21 VAL 52 -1.101 -10.358 4.020 403 2HG2 VAL 52 HG22 VAL 52 -2.217 -10.812 5.309 404 3HG2 VAL 52 HG23 VAL 52 -2.827 -10.047 3.843 405 H ILE 53 HN ILE 53 -2.489 -11.979 0.526 406 HA ILE 53 HA ILE 53 -0.943 -9.599 -0.230 407 HB ILE 53 HB ILE 53 -1.212 -11.637 -1.804 408 1HG1 ILE 53 HG12 ILE 53 -1.484 -10.020 -3.785 409 2HG1 ILE 53 HG11 ILE 53 -1.634 -8.763 -2.560 410 1HG2 ILE 53 HG21 ILE 53 -3.702 -11.739 -1.483 411 2HG2 ILE 53 HG22 ILE 53 -3.138 -11.780 -3.154 412 3HG2 ILE 53 HG23 ILE 53 -3.806 -10.291 -2.486 413 1HD1 ILE 53 HD11 ILE 53 0.678 -9.339 -3.640 414 2HD1 ILE 53 HD12 ILE 53 0.683 -10.615 -2.422 415 3HD1 ILE 53 HD13 ILE 53 0.552 -8.927 -1.930 416 H PHE 54 HN PHE 54 -1.815 -7.743 0.273 417 HA PHE 54 HA PHE 54 -4.712 -7.503 0.655 418 1HB PHE 54 HB2 PHE 54 -2.298 -5.935 1.472 419 2HB PHE 54 HB1 PHE 54 -3.822 -5.097 1.327 420 HD1 PHE 54 HD1 PHE 54 -2.486 -8.218 2.952 421 HD2 PHE 54 HD2 PHE 54 -5.035 -4.812 3.192 422 HE1 PHE 54 HE1 PHE 54 -3.057 -8.792 5.279 423 HE2 PHE 54 HE2 PHE 54 -5.611 -5.397 5.504 424 HZ PHE 54 HZ PHE 54 -4.617 -7.386 6.551 425 H LEU 55 HN LEU 55 -5.871 -6.795 -1.132 426 HA LEU 55 HA LEU 55 -4.592 -4.695 -2.708 427 1HB LEU 55 HB2 LEU 55 -4.804 -5.656 -4.680 428 2HB LEU 55 HB1 LEU 55 -4.803 -7.146 -3.756 429 HG LEU 55 HG LEU 55 -7.487 -6.490 -3.896 430 1HD1 LEU 55 HD11 LEU 55 -6.173 -5.847 -6.530 431 2HD1 LEU 55 HD12 LEU 55 -7.000 -4.696 -5.483 432 3HD1 LEU 55 HD13 LEU 55 -7.906 -6.000 -6.248 433 1HD2 LEU 55 HD21 LEU 55 -6.649 -8.715 -4.169 434 2HD2 LEU 55 HD22 LEU 55 -5.767 -8.260 -5.626 435 3HD2 LEU 55 HD23 LEU 55 -7.530 -8.295 -5.638 436 H GLU 56 HN GLU 56 -6.173 -3.525 -4.130 437 HA GLU 56 HA GLU 56 -8.637 -3.094 -2.578 438 1HB GLU 56 HB2 GLU 56 -6.525 -1.413 -2.940 439 2HB GLU 56 HB1 GLU 56 -7.619 -0.895 -4.213 440 1HG GLU 56 HG2 GLU 56 -8.588 -1.222 -1.400 441 2HG GLU 56 HG1 GLU 56 -7.754 0.246 -1.907 442 H VAL 57 HN VAL 57 -10.471 -3.459 -3.635 443 HA VAL 57 HA VAL 57 -10.473 -3.148 -6.569 444 HB VAL 57 HB VAL 57 -12.509 -4.829 -5.152 445 1HG1 VAL 57 HG11 VAL 57 -12.213 -6.014 -7.452 446 2HG1 VAL 57 HG12 VAL 57 -11.453 -4.493 -7.919 447 3HG1 VAL 57 HG13 VAL 57 -13.120 -4.504 -7.344 448 1HG2 VAL 57 HG21 VAL 57 -10.812 -6.711 -6.082 449 2HG2 VAL 57 HG22 VAL 57 -10.838 -6.155 -4.409 450 3HG2 VAL 57 HG23 VAL 57 -9.663 -5.488 -5.541 451 H ASP 58 HN ASP 58 -11.572 -1.524 -7.275 452 HA ASP 58 HA ASP 58 -13.622 -0.320 -5.574 453 1HB ASP 58 HB2 ASP 58 -13.374 1.618 -7.082 454 2HB ASP 58 HB1 ASP 58 -11.849 1.157 -6.341 455 H VAL 59 HN VAL 59 -15.673 -0.792 -5.978 456 HA VAL 59 HA VAL 59 -16.502 -2.360 -8.125 457 HB VAL 59 HB VAL 59 -17.732 -2.191 -5.988 458 1HG1 VAL 59 HG11 VAL 59 -19.190 -0.346 -5.518 459 2HG1 VAL 59 HG12 VAL 59 -18.784 0.426 -7.050 460 3HG1 VAL 59 HG13 VAL 59 -17.564 0.285 -5.784 461 1HG2 VAL 59 HG21 VAL 59 -19.889 -2.505 -6.915 462 2HG2 VAL 59 HG22 VAL 59 -18.737 -3.046 -8.135 463 3HG2 VAL 59 HG23 VAL 59 -19.520 -1.475 -8.298 464 H ASP 60 HN ASP 60 -15.939 1.015 -8.017 465 HA ASP 60 HA ASP 60 -17.777 1.850 -9.993 466 1HB ASP 60 HB2 ASP 60 -15.638 3.021 -8.493 467 2HB ASP 60 HB1 ASP 60 -15.402 3.411 -10.193 468 H ASP 61 HN ASP 61 -14.515 0.562 -10.107 469 HA ASP 61 HA ASP 61 -14.579 0.575 -13.042 470 1HB ASP 61 HB2 ASP 61 -12.374 0.319 -11.021 471 2HB ASP 61 HB1 ASP 61 -12.136 -0.249 -12.671 472 H ALA 62 HN ALA 62 -14.455 -1.522 -10.252 473 HA ALA 62 HA ALA 62 -14.357 -3.900 -11.948 474 1HB ALA 62 HB1 ALA 62 -13.334 -4.921 -10.244 475 2HB ALA 62 HB2 ALA 62 -14.553 -4.382 -9.089 476 3HB ALA 62 HB3 ALA 62 -13.204 -3.326 -9.504 477 H GLN 63 HN GLN 63 -16.645 -2.429 -12.234 478 HA GLN 63 HA GLN 63 -18.749 -3.270 -10.518 479 1HB GLN 63 HB2 GLN 63 -18.572 -1.249 -12.196 480 2HB GLN 63 HB1 GLN 63 -19.261 -2.403 -13.331 481 1HG GLN 63 HG2 GLN 63 -20.554 -2.011 -10.675 482 2HG GLN 63 HG1 GLN 63 -20.799 -0.819 -11.950 483 1HE2 GLN 63 HE21 GLN 63 -21.396 -1.820 -14.113 484 2HE2 GLN 63 HE22 GLN 63 -22.576 -3.081 -14.071 485 H ASP 64 HN ASP 64 -17.027 -4.958 -12.864 486 HA ASP 64 HA ASP 64 -19.300 -6.638 -13.605 487 1HB ASP 64 HB2 ASP 64 -17.140 -5.782 -15.063 488 2HB ASP 64 HB1 ASP 64 -16.654 -7.415 -14.613 489 H VAL 65 HN VAL 65 -16.518 -6.636 -11.526 490 HA VAL 65 HA VAL 65 -16.451 -9.489 -11.186 491 HB VAL 65 HB VAL 65 -15.044 -8.864 -9.094 492 1HG1 VAL 65 HG11 VAL 65 -13.156 -8.080 -10.801 493 2HG1 VAL 65 HG12 VAL 65 -14.357 -8.637 -11.964 494 3HG1 VAL 65 HG13 VAL 65 -13.746 -9.740 -10.732 495 1HG2 VAL 65 HG21 VAL 65 -14.052 -6.688 -9.080 496 2HG2 VAL 65 HG22 VAL 65 -15.803 -6.500 -9.037 497 3HG2 VAL 65 HG23 VAL 65 -14.923 -6.226 -10.540 498 H ALA 66 HN ALA 66 -17.662 -6.746 -9.213 499 HA ALA 66 HA ALA 66 -18.533 -8.075 -6.995 500 1HB ALA 66 HB1 ALA 66 -19.139 -5.581 -8.339 501 2HB ALA 66 HB2 ALA 66 -19.035 -5.935 -6.615 502 3HB ALA 66 HB3 ALA 66 -20.541 -6.225 -7.486 503 HA PRO 67 HA PRO 67 -22.911 -8.792 -9.197 504 1HB PRO 67 HB2 PRO 67 -21.781 -8.982 -11.959 505 2HB PRO 67 HB1 PRO 67 -23.363 -8.395 -11.430 506 1HG PRO 67 HG2 PRO 67 -21.472 -6.671 -12.136 507 2HG PRO 67 HG1 PRO 67 -22.516 -6.338 -10.746 508 1HD PRO 67 HD2 PRO 67 -19.679 -7.253 -10.822 509 2HD PRO 67 HD1 PRO 67 -20.483 -6.146 -9.692 510 H LYS 68 HN LYS 68 -19.818 -10.059 -10.206 511 HA LYS 68 HA LYS 68 -20.757 -12.712 -10.773 512 1HB LYS 68 HB2 LYS 68 -18.463 -11.304 -11.347 513 2HB LYS 68 HB1 LYS 68 -17.915 -12.431 -10.113 514 1HG LYS 68 HG2 LYS 68 -18.464 -14.297 -11.408 515 2HG LYS 68 HG1 LYS 68 -19.492 -13.352 -12.488 516 1HD LYS 68 HD2 LYS 68 -17.433 -12.119 -13.216 517 2HD LYS 68 HD1 LYS 68 -16.486 -13.281 -12.286 518 1HE LYS 68 HE2 LYS 68 -16.427 -14.231 -14.380 519 2HE LYS 68 HE1 LYS 68 -17.823 -15.044 -13.671 520 1HZ LYS 68 HZ1 LYS 68 -19.269 -13.922 -14.999 521 2HZ LYS 68 HZ2 LYS 68 -17.934 -13.944 -16.037 522 3HZ LYS 68 HZ3 LYS 68 -18.282 -12.554 -15.140 523 H TYR 69 HN TYR 69 -19.749 -10.972 -7.937 524 HA TYR 69 HA TYR 69 -19.571 -13.466 -6.374 525 1HB TYR 69 HB2 TYR 69 -18.580 -10.660 -5.877 526 2HB TYR 69 HB1 TYR 69 -18.604 -11.899 -4.633 527 HD1 TYR 69 HD1 TYR 69 -17.351 -14.115 -5.196 528 HD2 TYR 69 HD2 TYR 69 -16.742 -10.449 -7.266 529 HE1 TYR 69 HE1 TYR 69 -15.179 -14.939 -6.003 530 HE2 TYR 69 HE2 TYR 69 -14.569 -11.258 -8.080 531 HH TYR 69 HH TYR 69 -13.651 -14.429 -8.025 532 H GLY 70 HN GLY 70 -21.730 -11.095 -7.164 533 1HA GLY 70 HA2 GLY 70 -23.803 -10.530 -6.356 534 2HA GLY 70 HA1 GLY 70 -23.653 -11.897 -5.269 535 H ILE 71 HN ILE 71 -21.479 -9.101 -5.307 536 HA ILE 71 HA ILE 71 -21.924 -8.685 -2.498 537 HB ILE 71 HB ILE 71 -20.361 -6.995 -4.461 538 1HG1 ILE 71 HG12 ILE 71 -19.277 -8.917 -2.403 539 2HG1 ILE 71 HG11 ILE 71 -19.602 -9.404 -4.061 540 1HG2 ILE 71 HG21 ILE 71 -20.781 -5.569 -2.673 541 2HG2 ILE 71 HG22 ILE 71 -19.223 -6.284 -2.257 542 3HG2 ILE 71 HG23 ILE 71 -20.697 -6.873 -1.488 543 1HD1 ILE 71 HD11 ILE 71 -18.087 -7.124 -4.350 544 2HD1 ILE 71 HD12 ILE 71 -17.517 -8.786 -4.494 545 3HD1 ILE 71 HD13 ILE 71 -17.368 -7.933 -2.958 546 H ARG 72 HN ARG 72 -23.171 -7.181 -1.515 547 HA ARG 72 HA ARG 72 -24.379 -5.042 -3.100 548 1HB ARG 72 HB2 ARG 72 -25.896 -7.050 -3.155 549 2HB ARG 72 HB1 ARG 72 -26.059 -6.900 -1.412 550 1HG ARG 72 HG2 ARG 72 -27.955 -5.907 -2.548 551 2HG ARG 72 HG1 ARG 72 -27.029 -4.675 -1.689 552 1HD ARG 72 HD2 ARG 72 -26.142 -3.797 -3.662 553 2HD ARG 72 HD1 ARG 72 -26.521 -5.249 -4.587 554 HE ARG 72 HE ARG 72 -28.938 -4.212 -3.735 555 1HH1 ARG 72 HH11 ARG 72 -26.278 -3.171 -5.744 556 2HH1 ARG 72 HH12 ARG 72 -27.267 -2.164 -6.747 557 1HH2 ARG 72 HH21 ARG 72 -30.239 -2.885 -5.056 558 2HH2 ARG 72 HH22 ARG 72 -29.513 -1.999 -6.356 559 H GLY 73 HN GLY 73 -22.612 -4.167 -1.574 560 1HA GLY 73 HA2 GLY 73 -23.745 -2.507 0.317 561 2HA GLY 73 HA1 GLY 73 -23.227 -3.928 1.204 562 H ILE 74 HN ILE 74 -22.188 -1.406 1.728 563 HA ILE 74 HA ILE 74 -19.376 -1.889 1.137 564 HB ILE 74 HB ILE 74 -19.055 0.574 0.634 565 1HG1 ILE 74 HG12 ILE 74 -22.035 0.414 0.129 566 2HG1 ILE 74 HG11 ILE 74 -21.265 1.326 1.423 567 1HG2 ILE 74 HG21 ILE 74 -19.197 -1.441 -1.016 568 2HG2 ILE 74 HG22 ILE 74 -19.185 0.209 -1.638 569 3HG2 ILE 74 HG23 ILE 74 -20.705 -0.677 -1.517 570 1HD1 ILE 74 HD11 ILE 74 -20.265 2.824 -0.133 571 2HD1 ILE 74 HD12 ILE 74 -21.976 2.681 -0.539 572 3HD1 ILE 74 HD13 ILE 74 -20.768 1.827 -1.499 573 HA PRO 75 HA PRO 75 -17.528 -1.142 1.603 574 1HB PRO 75 HB2 PRO 75 -15.501 -1.315 3.316 575 2HB PRO 75 HB1 PRO 75 -16.152 0.265 2.862 576 1HG PRO 75 HG2 PRO 75 -16.585 -1.317 5.356 577 2HG PRO 75 HG1 PRO 75 -16.381 0.431 5.158 578 1HD PRO 75 HD2 PRO 75 -18.817 -0.906 5.437 579 2HD PRO 75 HD1 PRO 75 -18.606 0.746 4.826 580 H THR 76 HN THR 76 -17.523 -3.240 0.909 581 HA THR 76 HA THR 76 -17.875 -5.376 2.839 582 HB THR 76 HB THR 76 -17.431 -6.125 0.034 583 HG1 THR 76 HG1 THR 76 -18.662 -4.649 -0.769 584 1HG2 THR 76 HG21 THR 76 -18.668 -7.833 0.672 585 2HG2 THR 76 HG22 THR 76 -20.032 -6.750 0.958 586 3HG2 THR 76 HG23 THR 76 -18.887 -7.089 2.256 587 H LEU 77 HN LEU 77 -16.399 -6.878 3.388 588 HA LEU 77 HA LEU 77 -13.687 -6.541 2.300 589 1HB LEU 77 HB2 LEU 77 -14.635 -6.701 4.986 590 2HB LEU 77 HB1 LEU 77 -13.688 -8.141 4.671 591 HG LEU 77 HG LEU 77 -11.794 -6.721 3.959 592 1HD1 LEU 77 HD11 LEU 77 -11.989 -4.278 4.740 593 2HD1 LEU 77 HD12 LEU 77 -13.731 -4.535 4.622 594 3HD1 LEU 77 HD13 LEU 77 -12.712 -4.728 3.196 595 1HD2 LEU 77 HD21 LEU 77 -11.592 -5.606 6.363 596 2HD2 LEU 77 HD22 LEU 77 -11.441 -7.345 6.113 597 3HD2 LEU 77 HD23 LEU 77 -12.967 -6.665 6.680 598 H LEU 78 HN LEU 78 -12.941 -8.118 1.066 599 HA LEU 78 HA LEU 78 -14.317 -10.718 1.187 600 1HB LEU 78 HB2 LEU 78 -13.270 -9.099 -1.099 601 2HB LEU 78 HB1 LEU 78 -13.343 -10.840 -1.253 602 HG LEU 78 HG LEU 78 -15.596 -8.864 -1.052 603 1HD1 LEU 78 HD11 LEU 78 -14.437 -10.034 -3.171 604 2HD1 LEU 78 HD12 LEU 78 -16.136 -9.564 -3.122 605 3HD1 LEU 78 HD13 LEU 78 -15.675 -11.235 -2.799 606 1HD2 LEU 78 HD21 LEU 78 -15.742 -11.804 -0.406 607 2HD2 LEU 78 HD22 LEU 78 -17.140 -10.806 -0.805 608 3HD2 LEU 78 HD23 LEU 78 -16.187 -10.453 0.637 609 H LEU 79 HN LEU 79 -13.180 -12.513 1.462 610 HA LEU 79 HA LEU 79 -10.242 -12.313 1.503 611 1HB LEU 79 HB2 LEU 79 -12.210 -13.578 3.314 612 2HB LEU 79 HB1 LEU 79 -10.774 -14.524 2.984 613 HG LEU 79 HG LEU 79 -10.697 -13.128 5.066 614 1HD1 LEU 79 HD11 LEU 79 -8.685 -13.150 2.908 615 2HD1 LEU 79 HD12 LEU 79 -8.592 -13.759 4.560 616 3HD1 LEU 79 HD13 LEU 79 -8.404 -12.035 4.245 617 1HD2 LEU 79 HD21 LEU 79 -11.853 -11.164 4.038 618 2HD2 LEU 79 HD22 LEU 79 -10.360 -10.820 3.165 619 3HD2 LEU 79 HD23 LEU 79 -10.382 -10.775 4.928 620 H PHE 80 HN PHE 80 -9.248 -13.464 -0.028 621 HA PHE 80 HA PHE 80 -10.725 -15.704 -1.237 622 1HB PHE 80 HB2 PHE 80 -8.858 -13.664 -2.392 623 2HB PHE 80 HB1 PHE 80 -9.087 -15.207 -3.199 624 HD1 PHE 80 HD1 PHE 80 -10.683 -12.079 -2.171 625 HD2 PHE 80 HD2 PHE 80 -11.151 -15.725 -4.318 626 HE1 PHE 80 HE1 PHE 80 -12.731 -11.198 -3.206 627 HE2 PHE 80 HE2 PHE 80 -13.203 -14.849 -5.362 628 HZ PHE 80 HZ PHE 80 -13.995 -12.583 -4.804 629 H LYS 81 HN LYS 81 -9.662 -17.593 -1.745 630 HA LYS 81 HA LYS 81 -6.903 -17.965 -0.887 631 1HB LYS 81 HB2 LYS 81 -8.855 -18.502 0.913 632 2HB LYS 81 HB1 LYS 81 -8.779 -20.044 0.073 633 1HG LYS 81 HG2 LYS 81 -6.824 -20.593 1.003 634 2HG LYS 81 HG1 LYS 81 -6.165 -18.968 0.812 635 1HD LYS 81 HD2 LYS 81 -7.734 -18.316 2.734 636 2HD LYS 81 HD1 LYS 81 -7.892 -20.050 3.020 637 1HE LYS 81 HE2 LYS 81 -5.221 -18.677 2.857 638 2HE LYS 81 HE1 LYS 81 -6.121 -18.811 4.367 639 1HZ LYS 81 HZ1 LYS 81 -5.145 -21.057 2.686 640 2HZ LYS 81 HZ2 LYS 81 -6.112 -21.240 4.062 641 3HZ LYS 81 HZ3 LYS 81 -4.555 -20.600 4.204 642 H ASN 82 HN ASN 82 -6.023 -18.810 -2.682 643 HA ASN 82 HA ASN 82 -5.662 -20.169 -4.476 644 1HB ASN 82 HB2 ASN 82 -7.769 -22.020 -3.372 645 2HB ASN 82 HB1 ASN 82 -6.365 -22.427 -4.350 646 1HD2 ASN 82 HD21 ASN 82 -4.271 -21.413 -3.183 647 2HD2 ASN 82 HD22 ASN 82 -4.100 -21.945 -1.549 648 H GLY 83 HN GLY 83 -7.315 -18.073 -4.952 649 1HA GLY 83 HA2 GLY 83 -8.668 -17.325 -6.649 650 2HA GLY 83 HA1 GLY 83 -8.739 -18.973 -7.241 651 H GLU 84 HN GLU 84 -9.735 -19.059 -4.064 652 HA GLU 84 HA GLU 84 -12.542 -18.640 -4.852 653 1HB GLU 84 HB2 GLU 84 -11.567 -21.084 -4.504 654 2HB GLU 84 HB1 GLU 84 -11.887 -20.710 -2.815 655 1HG GLU 84 HG2 GLU 84 -14.112 -20.032 -4.554 656 2HG GLU 84 HG1 GLU 84 -13.680 -21.740 -4.627 657 H VAL 85 HN VAL 85 -13.881 -17.680 -3.447 658 HA VAL 85 HA VAL 85 -12.793 -16.076 -1.365 659 HB VAL 85 HB VAL 85 -14.772 -15.384 -2.646 660 1HG1 VAL 85 HG11 VAL 85 -16.536 -17.201 -1.091 661 2HG1 VAL 85 HG12 VAL 85 -15.690 -17.855 -2.493 662 3HG1 VAL 85 HG13 VAL 85 -16.775 -16.478 -2.681 663 1HG2 VAL 85 HG21 VAL 85 -14.325 -14.483 -0.376 664 2HG2 VAL 85 HG22 VAL 85 -15.423 -15.694 0.283 665 3HG2 VAL 85 HG23 VAL 85 -16.032 -14.457 -0.817 666 H ALA 86 HN ALA 86 -12.235 -16.811 0.633 667 HA ALA 86 HA ALA 86 -13.717 -19.107 1.707 668 1HB ALA 86 HB1 ALA 86 -10.926 -18.237 2.415 669 2HB ALA 86 HB2 ALA 86 -11.340 -19.548 1.311 670 3HB ALA 86 HB3 ALA 86 -11.761 -19.667 3.020 671 H ALA 87 HN ALA 87 -13.928 -15.996 1.954 672 HA ALA 87 HA ALA 87 -15.145 -16.014 4.504 673 1HB ALA 87 HB1 ALA 87 -13.487 -15.487 5.878 674 2HB ALA 87 HB2 ALA 87 -13.180 -14.020 4.951 675 3HB ALA 87 HB3 ALA 87 -12.349 -15.517 4.531 676 H THR 88 HN THR 88 -16.530 -14.296 4.739 677 HA THR 88 HA THR 88 -16.210 -12.031 2.905 678 HB THR 88 HB THR 88 -17.760 -13.299 1.686 679 HG1 THR 88 HG1 THR 88 -19.200 -11.796 1.585 680 1HG2 THR 88 HG21 THR 88 -19.944 -14.011 3.045 681 2HG2 THR 88 HG22 THR 88 -18.737 -14.197 4.317 682 3HG2 THR 88 HG23 THR 88 -18.564 -15.081 2.800 683 H LYS 89 HN LYS 89 -16.337 -10.158 3.978 684 HA LYS 89 HA LYS 89 -17.991 -10.052 6.408 685 1HB LYS 89 HB2 LYS 89 -15.160 -9.428 6.021 686 2HB LYS 89 HB1 LYS 89 -16.057 -8.094 6.736 687 1HG LYS 89 HG2 LYS 89 -16.236 -10.883 7.825 688 2HG LYS 89 HG1 LYS 89 -14.962 -9.765 8.313 689 1HD LYS 89 HD2 LYS 89 -17.072 -8.167 8.665 690 2HD LYS 89 HD1 LYS 89 -17.865 -9.724 8.911 691 1HE LYS 89 HE2 LYS 89 -16.447 -10.270 10.718 692 2HE LYS 89 HE1 LYS 89 -15.324 -8.968 10.330 693 1HZ LYS 89 HZ1 LYS 89 -16.686 -8.396 12.229 694 2HZ LYS 89 HZ2 LYS 89 -18.101 -8.632 11.332 695 3HZ LYS 89 HZ3 LYS 89 -17.048 -7.370 10.932 696 H VAL 90 HN VAL 90 -19.312 -8.298 6.611 697 HA VAL 90 HA VAL 90 -19.223 -6.320 4.428 698 HB VAL 90 HB VAL 90 -21.708 -7.224 5.884 699 1HG1 VAL 90 HG11 VAL 90 -21.269 -5.526 3.431 700 2HG1 VAL 90 HG12 VAL 90 -21.929 -5.009 4.982 701 3HG1 VAL 90 HG13 VAL 90 -22.841 -6.123 3.962 702 1HG2 VAL 90 HG21 VAL 90 -20.598 -8.101 3.222 703 2HG2 VAL 90 HG22 VAL 90 -22.249 -8.412 3.761 704 3HG2 VAL 90 HG23 VAL 90 -20.889 -9.105 4.642 705 H GLY 91 HN GLY 91 -19.644 -4.138 4.925 706 1HA GLY 91 HA2 GLY 91 -19.997 -2.305 6.269 707 2HA GLY 91 HA1 GLY 91 -20.337 -3.383 7.608 708 H ALA 92 HN ALA 92 -18.910 -1.087 7.970 709 HA ALA 92 HA ALA 92 -16.108 -1.401 7.799 710 1HB ALA 92 HB1 ALA 92 -17.776 0.383 9.565 711 2HB ALA 92 HB2 ALA 92 -17.070 0.792 8.002 712 3HB ALA 92 HB3 ALA 92 -16.025 0.498 9.391 713 H LEU 93 HN LEU 93 -14.698 -1.298 9.788 714 HA LEU 93 HA LEU 93 -15.611 -2.695 12.127 715 1HB LEU 93 HB2 LEU 93 -13.820 -4.499 11.795 716 2HB LEU 93 HB1 LEU 93 -15.317 -4.657 10.899 717 HG LEU 93 HG LEU 93 -12.931 -3.349 9.639 718 1HD1 LEU 93 HD11 LEU 93 -13.322 -6.215 10.249 719 2HD1 LEU 93 HD12 LEU 93 -11.836 -5.289 10.036 720 3HD1 LEU 93 HD13 LEU 93 -12.762 -5.808 8.628 721 1HD2 LEU 93 HD21 LEU 93 -14.721 -3.046 8.246 722 2HD2 LEU 93 HD22 LEU 93 -15.511 -4.539 8.754 723 3HD2 LEU 93 HD23 LEU 93 -14.127 -4.601 7.663 724 H SER 94 HN SER 94 -13.239 -3.465 13.233 725 HA SER 94 HA SER 94 -11.717 -0.943 13.293 726 1HB SER 94 HB2 SER 94 -13.019 -1.897 15.382 727 2HB SER 94 HB1 SER 94 -11.594 -2.924 15.533 728 HG SER 94 HG SER 94 -10.495 -1.266 16.207 729 H LYS 95 HN LYS 95 -9.401 -1.215 13.963 730 HA LYS 95 HA LYS 95 -8.014 -2.785 12.138 731 1HB LYS 95 HB2 LYS 95 -7.052 -0.817 13.239 732 2HB LYS 95 HB1 LYS 95 -7.032 -1.674 14.774 733 1HG LYS 95 HG2 LYS 95 -5.123 -2.719 14.291 734 2HG LYS 95 HG1 LYS 95 -5.647 -3.110 12.652 735 1HD LYS 95 HD2 LYS 95 -5.138 -0.765 11.994 736 2HD LYS 95 HD1 LYS 95 -4.482 -0.499 13.611 737 1HE LYS 95 HE2 LYS 95 -3.493 -2.646 11.744 738 2HE LYS 95 HE1 LYS 95 -2.786 -1.034 11.832 739 1HZ LYS 95 HZ1 LYS 95 -2.859 -3.104 13.948 740 2HZ LYS 95 HZ2 LYS 95 -2.469 -1.491 14.270 741 3HZ LYS 95 HZ3 LYS 95 -1.500 -2.402 13.225 742 H GLY 96 HN GLY 96 -9.029 -3.501 15.427 743 1HA GLY 96 HA2 GLY 96 -7.477 -5.900 15.617 744 2HA GLY 96 HA1 GLY 96 -8.725 -5.377 16.731 745 H GLN 97 HN GLN 97 -10.741 -5.139 14.584 746 HA GLN 97 HA GLN 97 -11.613 -7.873 14.636 747 1HB GLN 97 HB2 GLN 97 -12.854 -5.559 13.145 748 2HB GLN 97 HB1 GLN 97 -13.626 -7.081 13.572 749 1HG GLN 97 HG2 GLN 97 -13.349 -6.501 15.960 750 2HG GLN 97 HG1 GLN 97 -12.709 -4.935 15.468 751 1HE2 GLN 97 HE21 GLN 97 -15.540 -7.001 15.440 752 2HE2 GLN 97 HE22 GLN 97 -16.695 -5.733 15.236 753 H LEU 98 HN LEU 98 -10.192 -5.714 12.288 754 HA LEU 98 HA LEU 98 -10.641 -7.407 10.025 755 1HB LEU 98 HB2 LEU 98 -9.746 -4.824 10.354 756 2HB LEU 98 HB1 LEU 98 -8.280 -5.667 9.888 757 HG LEU 98 HG LEU 98 -10.809 -5.933 8.285 758 1HD1 LEU 98 HD11 LEU 98 -8.737 -3.764 8.151 759 2HD1 LEU 98 HD12 LEU 98 -10.489 -3.602 8.269 760 3HD1 LEU 98 HD13 LEU 98 -9.756 -4.193 6.778 761 1HD2 LEU 98 HD21 LEU 98 -8.095 -6.002 7.115 762 2HD2 LEU 98 HD22 LEU 98 -9.529 -6.950 6.719 763 3HD2 LEU 98 HD23 LEU 98 -8.563 -7.361 8.136 764 H LYS 99 HN LYS 99 -7.863 -6.759 12.119 765 HA LYS 99 HA LYS 99 -6.105 -8.623 10.978 766 1HB LYS 99 HB2 LYS 99 -5.800 -6.711 12.814 767 2HB LYS 99 HB1 LYS 99 -5.946 -8.086 13.901 768 1HG LYS 99 HG2 LYS 99 -4.090 -9.189 12.747 769 2HG LYS 99 HG1 LYS 99 -3.933 -7.791 11.681 770 1HD LYS 99 HD2 LYS 99 -2.291 -7.593 13.409 771 2HD LYS 99 HD1 LYS 99 -3.541 -6.384 13.709 772 1HE LYS 99 HE2 LYS 99 -4.485 -7.662 15.465 773 2HE LYS 99 HE1 LYS 99 -3.551 -9.090 15.022 774 1HZ LYS 99 HZ1 LYS 99 -2.689 -7.908 16.995 775 2HZ LYS 99 HZ2 LYS 99 -2.353 -6.564 16.024 776 3HZ LYS 99 HZ3 LYS 99 -1.553 -8.029 15.748 777 H GLU 100 HN GLU 100 -8.396 -8.936 13.680 778 HA GLU 100 HA GLU 100 -7.674 -11.562 14.397 779 1HB GLU 100 HB2 GLU 100 -9.530 -11.586 15.794 780 2HB GLU 100 HB1 GLU 100 -9.179 -9.873 15.666 781 1HG GLU 100 HG2 GLU 100 -11.377 -9.713 15.290 782 2HG GLU 100 HG1 GLU 100 -10.939 -10.158 13.644 783 H PHE 101 HN PHE 101 -9.937 -10.295 12.016 784 HA PHE 101 HA PHE 101 -11.173 -12.715 11.289 785 1HB PHE 101 HB2 PHE 101 -11.933 -10.397 10.663 786 2HB PHE 101 HB1 PHE 101 -10.609 -10.329 9.507 787 HD1 PHE 101 HD1 PHE 101 -12.820 -13.214 10.264 788 HD2 PHE 101 HD2 PHE 101 -11.723 -10.196 7.471 789 HE1 PHE 101 HE1 PHE 101 -14.242 -14.278 8.562 790 HE2 PHE 101 HE2 PHE 101 -13.142 -11.255 5.763 791 HZ PHE 101 HZ PHE 101 -14.404 -13.298 6.309 792 H LEU 102 HN LEU 102 -8.251 -11.095 10.178 793 HA LEU 102 HA LEU 102 -7.661 -12.951 8.094 794 1HB LEU 102 HB2 LEU 102 -6.236 -10.718 9.441 795 2HB LEU 102 HB1 LEU 102 -5.249 -11.909 8.614 796 HG LEU 102 HG LEU 102 -7.516 -10.426 7.291 797 1HD1 LEU 102 HD11 LEU 102 -5.757 -9.069 6.227 798 2HD1 LEU 102 HD12 LEU 102 -4.566 -9.816 7.291 799 3HD1 LEU 102 HD13 LEU 102 -5.850 -8.818 7.969 800 1HD2 LEU 102 HD21 LEU 102 -5.887 -11.159 5.311 801 2HD2 LEU 102 HD22 LEU 102 -7.189 -12.190 5.905 802 3HD2 LEU 102 HD23 LEU 102 -5.533 -12.457 6.451 803 H ASP 103 HN ASP 103 -6.396 -12.492 11.395 804 HA ASP 103 HA ASP 103 -4.616 -14.616 11.482 805 1HB ASP 103 HB2 ASP 103 -5.327 -12.766 13.270 806 2HB ASP 103 HB1 ASP 103 -6.292 -14.100 13.897 807 H ALA 104 HN ALA 104 -8.103 -14.567 11.916 808 HA ALA 104 HA ALA 104 -8.369 -17.272 12.737 809 1HB ALA 104 HB1 ALA 104 -10.547 -15.727 11.383 810 2HB ALA 104 HB2 ALA 104 -10.024 -15.325 13.019 811 3HB ALA 104 HB3 ALA 104 -10.668 -16.929 12.667 812 H ASN 105 HN ASN 105 -7.970 -15.772 9.621 813 HA ASN 105 HA ASN 105 -8.825 -18.255 8.298 814 1HB ASN 105 HB2 ASN 105 -9.396 -15.650 7.671 815 2HB ASN 105 HB1 ASN 105 -8.039 -15.983 6.601 816 1HD2 ASN 105 HD21 ASN 105 -9.604 -15.697 4.895 817 2HD2 ASN 105 HD22 ASN 105 -10.619 -17.021 4.444 818 H LEU 106 HN LEU 106 -6.209 -15.842 8.069 819 HA LEU 106 HA LEU 106 -4.456 -17.245 6.447 820 1HB LEU 106 HB2 LEU 106 -4.265 -14.870 7.264 821 2HB LEU 106 HB1 LEU 106 -3.650 -15.512 8.771 822 HG LEU 106 HG LEU 106 -1.938 -14.662 7.086 823 1HD1 LEU 106 HD11 LEU 106 -0.375 -16.010 8.014 824 2HD1 LEU 106 HD12 LEU 106 -1.290 -17.483 7.692 825 3HD1 LEU 106 HD13 LEU 106 -1.733 -16.449 9.051 826 1HD2 LEU 106 HD21 LEU 106 -1.466 -15.820 5.169 827 2HD2 LEU 106 HD22 LEU 106 -3.216 -16.026 5.237 828 3HD2 LEU 106 HD23 LEU 106 -2.155 -17.326 5.776 829 H VAL 107 HN VAL 107 -4.187 -19.379 6.858 830 HA VAL 107 HA VAL 107 -2.268 -20.241 8.675 831 HB VAL 107 HB VAL 107 -3.840 -19.807 10.454 832 1HG1 VAL 107 HG11 VAL 107 -5.976 -21.348 10.384 833 2HG1 VAL 107 HG12 VAL 107 -5.732 -21.207 8.643 834 3HG1 VAL 107 HG13 VAL 107 -5.962 -19.759 9.621 835 1HG2 VAL 107 HG21 VAL 107 -3.990 -22.780 10.111 836 2HG2 VAL 107 HG22 VAL 107 -3.714 -21.838 11.576 837 3HG2 VAL 107 HG23 VAL 107 -2.440 -21.980 10.366 Start of MODEL 17 1 1H MET 1 HT1 MET 1 3.796 -4.341 -0.762 2 2H MET 1 HT2 MET 1 2.425 -4.466 0.262 3 3H MET 1 HT3 MET 1 2.369 -3.465 -1.131 4 HA MET 1 HA MET 1 2.801 -5.518 -2.450 5 1HB MET 1 HB2 MET 1 3.360 -6.593 -0.056 6 2HB MET 1 HB1 MET 1 1.655 -7.010 -0.141 7 1HG MET 1 HG2 MET 1 2.425 -8.851 -1.157 8 2HG MET 1 HG1 MET 1 2.460 -7.815 -2.582 9 1HE MET 1 HE1 MET 1 3.928 -10.164 -0.535 10 2HE MET 1 HE2 MET 1 5.685 -10.018 -0.539 11 3HE MET 1 HE3 MET 1 4.846 -10.606 -1.975 12 H VAL 2 HN VAL 2 1.090 -3.634 -2.789 13 HA VAL 2 HA VAL 2 -1.544 -4.934 -2.726 14 HB VAL 2 HB VAL 2 -1.112 -2.001 -2.133 15 1HG1 VAL 2 HG11 VAL 2 -3.673 -3.258 -1.450 16 2HG1 VAL 2 HG12 VAL 2 -3.342 -3.167 -3.176 17 3HG1 VAL 2 HG13 VAL 2 -3.335 -1.699 -2.203 18 1HG2 VAL 2 HG21 VAL 2 -2.213 -2.939 0.119 19 2HG2 VAL 2 HG22 VAL 2 -0.471 -2.814 -0.128 20 3HG2 VAL 2 HG23 VAL 2 -1.286 -4.360 -0.366 21 H LYS 3 HN LYS 3 -2.867 -4.496 -4.494 22 HA LYS 3 HA LYS 3 -1.873 -2.649 -6.526 23 1HB LYS 3 HB2 LYS 3 -2.328 -4.474 -8.270 24 2HB LYS 3 HB1 LYS 3 -0.842 -4.606 -7.342 25 1HG LYS 3 HG2 LYS 3 -1.911 -6.253 -5.875 26 2HG LYS 3 HG1 LYS 3 -3.393 -6.121 -6.823 27 1HD LYS 3 HD2 LYS 3 -2.391 -8.004 -7.727 28 2HD LYS 3 HD1 LYS 3 -1.862 -6.734 -8.830 29 1HE LYS 3 HE2 LYS 3 0.300 -6.762 -8.042 30 2HE LYS 3 HE1 LYS 3 -0.173 -7.387 -6.461 31 1HZ LYS 3 HZ1 LYS 3 -0.595 -9.117 -8.778 32 2HZ LYS 3 HZ2 LYS 3 -0.154 -9.520 -7.196 33 3HZ LYS 3 HZ3 LYS 3 0.999 -8.892 -8.261 34 H GLN 4 HN GLN 4 -3.499 -1.441 -7.145 35 HA GLN 4 HA GLN 4 -6.187 -2.101 -6.441 36 1HB GLN 4 HB2 GLN 4 -5.422 0.214 -6.388 37 2HB GLN 4 HB1 GLN 4 -5.082 0.164 -8.113 38 1HG GLN 4 HG2 GLN 4 -7.184 0.650 -8.635 39 2HG GLN 4 HG1 GLN 4 -7.820 -0.578 -7.541 40 1HE2 GLN 4 HE21 GLN 4 -9.322 0.382 -6.351 41 2HE2 GLN 4 HE22 GLN 4 -9.136 1.876 -5.504 42 H ILE 5 HN ILE 5 -7.687 -3.072 -7.648 43 HA ILE 5 HA ILE 5 -6.968 -3.834 -10.388 44 HB ILE 5 HB ILE 5 -8.466 -5.136 -8.207 45 1HG1 ILE 5 HG12 ILE 5 -7.426 -7.101 -9.031 46 2HG1 ILE 5 HG11 ILE 5 -7.151 -6.384 -10.612 47 1HG2 ILE 5 HG21 ILE 5 -10.377 -4.963 -9.590 48 2HG2 ILE 5 HG22 ILE 5 -9.736 -6.588 -9.830 49 3HG2 ILE 5 HG23 ILE 5 -9.451 -5.341 -11.044 50 1HD1 ILE 5 HD11 ILE 5 -5.219 -5.461 -9.981 51 2HD1 ILE 5 HD12 ILE 5 -5.293 -6.617 -8.651 52 3HD1 ILE 5 HD13 ILE 5 -5.852 -4.961 -8.412 53 H GLU 6 HN GLU 6 -7.700 -2.464 -11.862 54 HA GLU 6 HA GLU 6 -10.286 -1.164 -11.457 55 1HB GLU 6 HB2 GLU 6 -7.827 -0.467 -12.969 56 2HB GLU 6 HB1 GLU 6 -9.359 0.080 -13.634 57 1HG GLU 6 HG2 GLU 6 -9.780 1.490 -11.867 58 2HG GLU 6 HG1 GLU 6 -8.747 0.583 -10.763 59 H SER 7 HN SER 7 -9.713 -3.988 -12.511 60 HA SER 7 HA SER 7 -11.716 -3.858 -14.589 61 1HB SER 7 HB2 SER 7 -9.017 -5.068 -15.207 62 2HB SER 7 HB1 SER 7 -10.417 -5.036 -16.275 63 HG SER 7 HG SER 7 -9.506 -3.252 -16.942 64 H LYS 8 HN LYS 8 -12.550 -5.970 -15.195 65 HA LYS 8 HA LYS 8 -12.742 -7.698 -12.938 66 1HB LYS 8 HB2 LYS 8 -14.637 -7.342 -14.453 67 2HB LYS 8 HB1 LYS 8 -13.731 -8.069 -15.771 68 1HG LYS 8 HG2 LYS 8 -13.692 -9.943 -13.690 69 2HG LYS 8 HG1 LYS 8 -15.343 -9.322 -13.761 70 1HD LYS 8 HD2 LYS 8 -15.729 -10.208 -15.820 71 2HD LYS 8 HD1 LYS 8 -14.058 -9.990 -16.344 72 1HE LYS 8 HE2 LYS 8 -14.860 -12.039 -14.294 73 2HE LYS 8 HE1 LYS 8 -14.851 -12.383 -16.026 74 1HZ LYS 8 HZ1 LYS 8 -12.577 -12.219 -16.139 75 2HZ LYS 8 HZ2 LYS 8 -12.768 -12.900 -14.603 76 3HZ LYS 8 HZ3 LYS 8 -12.455 -11.244 -14.760 77 H THR 9 HN THR 9 -10.796 -7.605 -15.802 78 HA THR 9 HA THR 9 -9.980 -10.368 -15.669 79 HB THR 9 HB THR 9 -8.508 -8.211 -17.162 80 HG1 THR 9 HG1 THR 9 -10.111 -7.946 -18.475 81 1HG2 THR 9 HG21 THR 9 -7.711 -9.826 -18.513 82 2HG2 THR 9 HG22 THR 9 -9.173 -10.805 -18.392 83 3HG2 THR 9 HG23 THR 9 -7.986 -10.829 -17.089 84 H ALA 10 HN ALA 10 -8.856 -7.279 -14.496 85 HA ALA 10 HA ALA 10 -6.224 -8.054 -13.815 86 1HB ALA 10 HB1 ALA 10 -6.848 -5.718 -14.027 87 2HB ALA 10 HB2 ALA 10 -6.191 -6.034 -12.422 88 3HB ALA 10 HB3 ALA 10 -7.933 -5.860 -12.643 89 H PHE 11 HN PHE 11 -9.295 -8.225 -12.082 90 HA PHE 11 HA PHE 11 -8.292 -8.853 -9.524 91 1HB PHE 11 HB2 PHE 11 -10.723 -8.312 -10.258 92 2HB PHE 11 HB1 PHE 11 -10.848 -10.030 -10.621 93 HD1 PHE 11 HD1 PHE 11 -9.189 -8.225 -7.826 94 HD2 PHE 11 HD2 PHE 11 -12.201 -10.984 -9.013 95 HE1 PHE 11 HE1 PHE 11 -9.698 -8.673 -5.464 96 HE2 PHE 11 HE2 PHE 11 -12.717 -11.439 -6.648 97 HZ PHE 11 HZ PHE 11 -11.466 -10.283 -4.874 98 H GLN 12 HN GLN 12 -9.099 -10.873 -12.295 99 HA GLN 12 HA GLN 12 -8.545 -13.359 -11.035 100 1HB GLN 12 HB2 GLN 12 -8.486 -12.621 -13.971 101 2HB GLN 12 HB1 GLN 12 -8.473 -14.260 -13.333 102 1HG GLN 12 HG2 GLN 12 -10.692 -12.250 -13.026 103 2HG GLN 12 HG1 GLN 12 -10.684 -13.645 -14.103 104 1HE2 GLN 12 HE21 GLN 12 -10.571 -12.687 -10.722 105 2HE2 GLN 12 HE22 GLN 12 -11.323 -14.113 -10.096 106 H GLU 13 HN GLU 13 -6.660 -11.160 -13.084 107 HA GLU 13 HA GLU 13 -4.334 -12.665 -13.321 108 1HB GLU 13 HB2 GLU 13 -5.096 -9.843 -13.647 109 2HB GLU 13 HB1 GLU 13 -3.395 -10.099 -13.285 110 1HG GLU 13 HG2 GLU 13 -3.608 -11.903 -15.184 111 2HG GLU 13 HG1 GLU 13 -4.968 -10.894 -15.673 112 H ALA 14 HN ALA 14 -5.230 -10.260 -10.868 113 HA ALA 14 HA ALA 14 -2.805 -10.415 -9.428 114 1HB ALA 14 HB1 ALA 14 -4.010 -9.233 -7.659 115 2HB ALA 14 HB2 ALA 14 -5.533 -9.536 -8.497 116 3HB ALA 14 HB3 ALA 14 -4.304 -8.512 -9.241 117 H LEU 15 HN LEU 15 -5.751 -12.284 -9.354 118 HA LEU 15 HA LEU 15 -5.282 -13.535 -6.844 119 1HB LEU 15 HB2 LEU 15 -7.090 -14.020 -9.168 120 2HB LEU 15 HB1 LEU 15 -6.879 -15.307 -7.997 121 HG LEU 15 HG LEU 15 -7.827 -12.514 -7.338 122 1HD1 LEU 15 HD11 LEU 15 -9.562 -14.917 -7.121 123 2HD1 LEU 15 HD12 LEU 15 -9.301 -14.215 -8.717 124 3HD1 LEU 15 HD13 LEU 15 -9.990 -13.232 -7.424 125 1HD2 LEU 15 HD21 LEU 15 -8.532 -13.774 -5.209 126 2HD2 LEU 15 HD22 LEU 15 -6.836 -13.329 -5.394 127 3HD2 LEU 15 HD23 LEU 15 -7.352 -14.986 -5.710 128 H ASP 16 HN ASP 16 -4.467 -14.320 -10.188 129 HA ASP 16 HA ASP 16 -3.473 -16.917 -9.778 130 1HB ASP 16 HB2 ASP 16 -3.885 -15.448 -11.976 131 2HB ASP 16 HB1 ASP 16 -2.153 -15.174 -11.802 132 H ALA 17 HN ALA 17 -2.071 -13.744 -9.326 133 HA ALA 17 HA ALA 17 0.603 -14.707 -8.919 134 1HB ALA 17 HB1 ALA 17 1.204 -12.476 -8.519 135 2HB ALA 17 HB2 ALA 17 -0.435 -12.026 -8.048 136 3HB ALA 17 HB3 ALA 17 -0.071 -12.388 -9.735 137 H ALA 18 HN ALA 18 -2.219 -14.286 -6.989 138 HA ALA 18 HA ALA 18 -0.993 -14.057 -4.443 139 1HB ALA 18 HB1 ALA 18 -3.099 -14.049 -3.599 140 2HB ALA 18 HB2 ALA 18 -3.656 -15.345 -4.658 141 3HB ALA 18 HB3 ALA 18 -3.490 -13.704 -5.281 142 H GLY 19 HN GLY 19 -1.849 -16.853 -6.469 143 1HA GLY 19 HA2 GLY 19 -1.354 -19.064 -6.218 144 2HA GLY 19 HA1 GLY 19 -0.022 -18.528 -5.209 145 H ASP 20 HN ASP 20 -0.011 -19.491 -3.306 146 HA ASP 20 HA ASP 20 -2.526 -20.461 -2.180 147 1HB ASP 20 HB2 ASP 20 -0.566 -22.004 -2.391 148 2HB ASP 20 HB1 ASP 20 0.294 -21.000 -1.229 149 H LYS 21 HN LYS 21 -1.064 -17.616 -2.075 150 HA LYS 21 HA LYS 21 -0.890 -17.159 0.748 151 1HB LYS 21 HB2 LYS 21 -0.994 -15.142 -1.503 152 2HB LYS 21 HB1 LYS 21 -0.420 -14.862 0.137 153 1HG LYS 21 HG2 LYS 21 1.418 -16.435 -0.246 154 2HG LYS 21 HG1 LYS 21 0.849 -16.683 -1.897 155 1HD LYS 21 HD2 LYS 21 1.258 -14.351 -2.420 156 2HD LYS 21 HD1 LYS 21 1.736 -14.035 -0.749 157 1HE LYS 21 HE2 LYS 21 3.803 -14.815 -1.092 158 2HE LYS 21 HE1 LYS 21 3.204 -16.247 -1.931 159 1HZ LYS 21 HZ1 LYS 21 2.800 -14.583 -3.847 160 2HZ LYS 21 HZ2 LYS 21 4.362 -15.169 -3.574 161 3HZ LYS 21 HZ3 LYS 21 3.933 -13.623 -3.036 162 H LEU 22 HN LEU 22 -2.343 -15.901 1.979 163 HA LEU 22 HA LEU 22 -5.096 -16.151 1.185 164 1HB LEU 22 HB2 LEU 22 -4.572 -16.482 3.503 165 2HB LEU 22 HB1 LEU 22 -3.734 -14.947 3.596 166 HG LEU 22 HG LEU 22 -5.742 -13.717 3.607 167 1HD1 LEU 22 HD11 LEU 22 -7.366 -14.332 2.216 168 2HD1 LEU 22 HD12 LEU 22 -7.886 -15.459 3.467 169 3HD1 LEU 22 HD13 LEU 22 -6.810 -16.005 2.180 170 1HD2 LEU 22 HD21 LEU 22 -5.134 -15.352 5.604 171 2HD2 LEU 22 HD22 LEU 22 -6.712 -16.027 5.197 172 3HD2 LEU 22 HD23 LEU 22 -6.569 -14.325 5.636 173 H VAL 23 HN VAL 23 -6.384 -14.554 0.347 174 HA VAL 23 HA VAL 23 -5.085 -11.946 -0.048 175 HB VAL 23 HB VAL 23 -7.204 -13.050 -1.863 176 1HG1 VAL 23 HG11 VAL 23 -7.086 -10.923 -2.560 177 2HG1 VAL 23 HG12 VAL 23 -5.573 -11.414 -3.320 178 3HG1 VAL 23 HG13 VAL 23 -5.552 -10.639 -1.737 179 1HG2 VAL 23 HG21 VAL 23 -5.117 -13.440 -3.386 180 2HG2 VAL 23 HG22 VAL 23 -5.596 -14.668 -2.213 181 3HG2 VAL 23 HG23 VAL 23 -4.264 -13.570 -1.848 182 H VAL 24 HN VAL 24 -5.881 -10.557 1.330 183 HA VAL 24 HA VAL 24 -8.772 -10.534 1.844 184 HB VAL 24 HB VAL 24 -7.380 -10.586 3.863 185 1HG1 VAL 24 HG11 VAL 24 -5.695 -8.904 2.407 186 2HG1 VAL 24 HG12 VAL 24 -5.481 -9.459 4.067 187 3HG1 VAL 24 HG13 VAL 24 -6.290 -7.925 3.747 188 1HG2 VAL 24 HG21 VAL 24 -9.462 -8.853 3.369 189 2HG2 VAL 24 HG22 VAL 24 -8.242 -7.815 4.106 190 3HG2 VAL 24 HG23 VAL 24 -8.804 -9.255 4.955 191 H VAL 25 HN VAL 25 -9.864 -9.226 0.602 192 HA VAL 25 HA VAL 25 -8.577 -6.756 -0.333 193 HB VAL 25 HB VAL 25 -10.098 -7.019 -2.380 194 1HG1 VAL 25 HG11 VAL 25 -7.610 -7.404 -2.274 195 2HG1 VAL 25 HG12 VAL 25 -8.461 -8.302 -3.533 196 3HG1 VAL 25 HG13 VAL 25 -7.963 -9.117 -2.052 197 1HG2 VAL 25 HG21 VAL 25 -10.042 -9.918 -1.600 198 2HG2 VAL 25 HG22 VAL 25 -10.920 -9.157 -2.926 199 3HG2 VAL 25 HG23 VAL 25 -11.425 -8.881 -1.259 200 H ASP 26 HN ASP 26 -10.226 -5.105 -1.091 201 HA ASP 26 HA ASP 26 -12.647 -5.177 0.566 202 1HB ASP 26 HB2 ASP 26 -10.811 -3.907 1.718 203 2HB ASP 26 HB1 ASP 26 -10.852 -2.755 0.388 204 H PHE 27 HN PHE 27 -14.440 -4.392 -0.356 205 HA PHE 27 HA PHE 27 -14.236 -3.312 -3.087 206 1HB PHE 27 HB2 PHE 27 -16.302 -4.832 -1.575 207 2HB PHE 27 HB1 PHE 27 -16.887 -3.645 -2.737 208 HD1 PHE 27 HD1 PHE 27 -14.657 -6.583 -2.383 209 HD2 PHE 27 HD2 PHE 27 -16.939 -4.148 -5.030 210 HE1 PHE 27 HE1 PHE 27 -14.249 -8.186 -4.206 211 HE2 PHE 27 HE2 PHE 27 -16.537 -5.755 -6.854 212 HZ PHE 27 HZ PHE 27 -15.189 -7.774 -6.441 213 H SER 28 HN SER 28 -14.120 -1.121 -3.105 214 HA SER 28 HA SER 28 -15.765 0.370 -1.168 215 1HB SER 28 HB2 SER 28 -14.083 2.048 -1.029 216 2HB SER 28 HB1 SER 28 -13.238 0.506 -0.896 217 HG SER 28 HG SER 28 -12.076 1.485 -2.404 218 H ALA 29 HN ALA 29 -15.496 2.866 -2.127 219 HA ALA 29 HA ALA 29 -16.227 2.979 -4.929 220 1HB ALA 29 HB1 ALA 29 -18.430 3.496 -4.750 221 2HB ALA 29 HB2 ALA 29 -18.231 4.285 -3.187 222 3HB ALA 29 HB3 ALA 29 -18.299 2.526 -3.282 223 H THR 30 HN THR 30 -16.289 5.196 -5.736 224 HA THR 30 HA THR 30 -14.407 6.898 -4.392 225 HB THR 30 HB THR 30 -16.193 7.662 -6.708 226 HG1 THR 30 HG1 THR 30 -14.735 6.712 -8.058 227 1HG2 THR 30 HG21 THR 30 -13.355 8.453 -6.589 228 2HG2 THR 30 HG22 THR 30 -14.446 9.247 -5.454 229 3HG2 THR 30 HG23 THR 30 -14.761 9.334 -7.188 230 H TRP 31 HN TRP 31 -17.861 6.732 -4.804 231 HA TRP 31 HA TRP 31 -18.377 9.240 -3.433 232 1HB TRP 31 HB2 TRP 31 -20.728 8.720 -3.859 233 2HB TRP 31 HB1 TRP 31 -19.791 8.470 -5.331 234 HD1 TRP 31 HD1 TRP 31 -19.299 5.848 -6.015 235 HE1 TRP 31 HE1 TRP 31 -20.639 3.701 -5.464 236 HE3 TRP 31 HE3 TRP 31 -22.233 7.642 -2.236 237 HZ2 TRP 31 HZ2 TRP 31 -22.665 2.903 -3.712 238 HZ3 TRP 31 HZ3 TRP 31 -23.848 6.120 -1.175 239 HH2 TRP 31 HH2 TRP 31 -24.057 3.798 -1.904 240 H CYS 32 HN CYS 32 -17.247 6.505 -2.188 241 HA CYS 32 HA CYS 32 -19.213 6.112 -0.083 242 1HB CYS 32 HB2 CYS 32 -17.897 4.208 -1.153 243 2HB CYS 32 HB1 CYS 32 -16.503 4.801 -0.259 244 H GLY 33 HN GLY 33 -18.650 6.197 2.178 245 1HA GLY 33 HA2 GLY 33 -16.714 8.360 2.715 246 2HA GLY 33 HA1 GLY 33 -18.173 8.082 3.654 247 HA PRO 34 HA PRO 34 -16.111 5.407 6.490 248 1HB PRO 34 HB2 PRO 34 -17.785 3.070 5.792 249 2HB PRO 34 HB1 PRO 34 -17.617 3.910 7.337 250 1HG PRO 34 HG2 PRO 34 -19.833 4.174 5.891 251 2HG PRO 34 HG1 PRO 34 -19.141 5.562 6.753 252 1HD PRO 34 HD2 PRO 34 -18.935 4.852 3.841 253 2HD PRO 34 HD1 PRO 34 -19.261 6.432 4.590 254 H CYS 35 HN CYS 35 -16.465 4.204 3.233 255 HA CYS 35 HA CYS 35 -14.860 1.909 3.362 256 1HB CYS 35 HB2 CYS 35 -15.200 3.856 1.065 257 2HB CYS 35 HB1 CYS 35 -14.486 2.253 0.930 258 H LYS 36 HN LYS 36 -14.073 5.296 2.936 259 HA LYS 36 HA LYS 36 -11.298 4.958 2.445 260 1HB LYS 36 HB2 LYS 36 -13.109 7.230 3.110 261 2HB LYS 36 HB1 LYS 36 -11.381 7.466 3.340 262 1HG LYS 36 HG2 LYS 36 -10.933 7.412 1.111 263 2HG LYS 36 HG1 LYS 36 -12.275 6.326 0.750 264 1HD LYS 36 HD2 LYS 36 -12.843 8.418 -0.199 265 2HD LYS 36 HD1 LYS 36 -13.812 8.269 1.269 266 1HE LYS 36 HE2 LYS 36 -12.843 10.505 1.057 267 2HE LYS 36 HE1 LYS 36 -12.220 9.662 2.477 268 1HZ LYS 36 HZ1 LYS 36 -10.181 9.271 1.426 269 2HZ LYS 36 HZ2 LYS 36 -10.548 10.878 1.045 270 3HZ LYS 36 HZ3 LYS 36 -10.780 9.661 -0.106 271 H MET 37 HN MET 37 -13.169 4.724 5.294 272 HA MET 37 HA MET 37 -11.154 5.564 7.151 273 1HB MET 37 HB2 MET 37 -13.516 3.778 7.738 274 2HB MET 37 HB1 MET 37 -12.598 4.748 8.881 275 1HG MET 37 HG2 MET 37 -14.165 5.942 6.619 276 2HG MET 37 HG1 MET 37 -14.851 5.641 8.215 277 1HE MET 37 HE1 MET 37 -14.270 7.048 10.380 278 2HE MET 37 HE2 MET 37 -12.791 8.001 10.509 279 3HE MET 37 HE3 MET 37 -12.697 6.262 10.240 280 H ILE 38 HN ILE 38 -11.856 2.607 5.480 281 HA ILE 38 HA ILE 38 -10.302 0.972 7.305 282 HB ILE 38 HB ILE 38 -11.328 0.187 4.585 283 1HG1 ILE 38 HG12 ILE 38 -13.115 1.128 6.149 284 2HG1 ILE 38 HG11 ILE 38 -13.390 -0.493 5.527 285 1HG2 ILE 38 HG21 ILE 38 -10.068 -1.205 6.849 286 2HG2 ILE 38 HG22 ILE 38 -10.051 -1.582 5.127 287 3HG2 ILE 38 HG23 ILE 38 -11.442 -2.032 6.114 288 1HD1 ILE 38 HD11 ILE 38 -13.987 -0.321 7.868 289 2HD1 ILE 38 HD12 ILE 38 -12.344 0.187 8.266 290 3HD1 ILE 38 HD13 ILE 38 -12.641 -1.436 7.642 291 H LYS 39 HN LYS 39 -9.787 2.750 4.354 292 HA LYS 39 HA LYS 39 -7.683 1.443 3.165 293 1HB LYS 39 HB2 LYS 39 -8.892 3.947 2.901 294 2HB LYS 39 HB1 LYS 39 -7.193 4.301 3.179 295 1HG LYS 39 HG2 LYS 39 -6.518 3.124 1.263 296 2HG LYS 39 HG1 LYS 39 -8.075 2.306 1.116 297 1HD LYS 39 HD2 LYS 39 -8.022 5.280 0.977 298 2HD LYS 39 HD1 LYS 39 -7.438 4.366 -0.415 299 1HE LYS 39 HE2 LYS 39 -10.027 3.546 0.782 300 2HE LYS 39 HE1 LYS 39 -9.993 5.054 -0.131 301 1HZ LYS 39 HZ1 LYS 39 -8.970 3.781 -1.980 302 2HZ LYS 39 HZ2 LYS 39 -10.549 3.298 -1.613 303 3HZ LYS 39 HZ3 LYS 39 -9.237 2.357 -1.107 304 HA PRO 40 HA PRO 40 -4.574 3.941 6.012 305 1HB PRO 40 HB2 PRO 40 -6.240 4.130 8.456 306 2HB PRO 40 HB1 PRO 40 -5.124 5.307 7.760 307 1HG PRO 40 HG2 PRO 40 -7.775 5.638 7.593 308 2HG PRO 40 HG1 PRO 40 -6.693 6.121 6.274 309 1HD PRO 40 HD2 PRO 40 -8.474 3.733 6.493 310 2HD PRO 40 HD1 PRO 40 -8.078 4.719 5.071 311 H PHE 41 HN PHE 41 -6.913 1.909 7.822 312 HA PHE 41 HA PHE 41 -4.784 0.527 9.173 313 1HB PHE 41 HB2 PHE 41 -7.643 -0.403 9.100 314 2HB PHE 41 HB1 PHE 41 -6.455 -0.589 10.385 315 HD1 PHE 41 HD1 PHE 41 -5.579 1.702 11.390 316 HD2 PHE 41 HD2 PHE 41 -9.280 1.188 9.355 317 HE1 PHE 41 HE1 PHE 41 -6.456 3.716 12.491 318 HE2 PHE 41 HE2 PHE 41 -10.164 3.205 10.448 319 HZ PHE 41 HZ PHE 41 -8.754 4.472 12.019 320 H PHE 42 HN PHE 42 -6.794 -0.141 6.344 321 HA PHE 42 HA PHE 42 -6.241 -2.918 6.208 322 1HB PHE 42 HB2 PHE 42 -8.013 -1.472 4.922 323 2HB PHE 42 HB1 PHE 42 -6.719 -1.278 3.744 324 HD1 PHE 42 HD1 PHE 42 -8.699 -3.833 5.558 325 HD2 PHE 42 HD2 PHE 42 -6.314 -2.942 2.149 326 HE1 PHE 42 HE1 PHE 42 -9.301 -6.006 4.577 327 HE2 PHE 42 HE2 PHE 42 -6.915 -5.109 1.158 328 HZ PHE 42 HZ PHE 42 -8.407 -6.646 2.373 329 H HIS 43 HN HIS 43 -4.745 -0.076 4.709 330 HA HIS 43 HA HIS 43 -2.817 -1.527 3.245 331 1HB HIS 43 HB2 HIS 43 -3.586 1.140 3.413 332 2HB HIS 43 HB1 HIS 43 -1.922 1.138 3.987 333 HD1 HIS 43 HD1 HIS 43 -3.912 1.016 0.907 334 HD2 HIS 43 HD2 HIS 43 -0.062 -0.018 2.085 335 HE1 HIS 43 HE1 HIS 43 -2.576 0.706 -1.220 336 H SER 44 HN SER 44 -2.741 -0.093 6.487 337 HA SER 44 HA SER 44 -0.002 -0.425 6.969 338 1HB SER 44 HB2 SER 44 -2.389 -0.326 8.809 339 2HB SER 44 HB1 SER 44 -0.746 -0.499 9.423 340 HG SER 44 HG SER 44 -1.887 1.728 8.924 341 H LEU 45 HN LEU 45 -2.727 -2.630 7.516 342 HA LEU 45 HA LEU 45 -1.304 -4.648 8.836 343 1HB LEU 45 HB2 LEU 45 -3.750 -4.774 7.073 344 2HB LEU 45 HB1 LEU 45 -3.132 -6.162 7.946 345 HG LEU 45 HG LEU 45 -3.808 -3.649 9.435 346 1HD1 LEU 45 HD11 LEU 45 -6.074 -4.593 9.810 347 2HD1 LEU 45 HD12 LEU 45 -5.749 -5.766 8.536 348 3HD1 LEU 45 HD13 LEU 45 -5.794 -4.044 8.156 349 1HD2 LEU 45 HD21 LEU 45 -2.592 -5.676 10.419 350 2HD2 LEU 45 HD22 LEU 45 -4.143 -6.506 10.292 351 3HD2 LEU 45 HD23 LEU 45 -3.997 -5.062 11.291 352 H SER 46 HN SER 46 -1.922 -4.126 5.382 353 HA SER 46 HA SER 46 -0.789 -6.435 4.347 354 1HB SER 46 HB2 SER 46 -0.666 -5.319 2.271 355 2HB SER 46 HB1 SER 46 -2.004 -4.536 3.111 356 HG SER 46 HG SER 46 0.506 -3.552 2.441 357 H GLU 47 HN GLU 47 0.779 -3.686 5.819 358 HA GLU 47 HA GLU 47 3.378 -4.381 4.740 359 1HB GLU 47 HB2 GLU 47 2.340 -2.195 6.505 360 2HB GLU 47 HB1 GLU 47 4.064 -2.538 6.477 361 1HG GLU 47 HG2 GLU 47 4.340 -1.688 4.416 362 2HG GLU 47 HG1 GLU 47 2.774 -2.264 3.848 363 H LYS 48 HN LYS 48 1.474 -5.088 7.520 364 HA LYS 48 HA LYS 48 3.807 -6.029 9.016 365 1HB LYS 48 HB2 LYS 48 2.022 -4.762 10.203 366 2HB LYS 48 HB1 LYS 48 0.884 -6.043 9.804 367 1HG LYS 48 HG2 LYS 48 2.667 -7.554 11.008 368 2HG LYS 48 HG1 LYS 48 3.111 -6.027 11.770 369 1HD LYS 48 HD2 LYS 48 1.519 -6.948 13.219 370 2HD LYS 48 HD1 LYS 48 0.611 -5.768 12.271 371 1HE LYS 48 HE2 LYS 48 -0.770 -7.640 12.270 372 2HE LYS 48 HE1 LYS 48 0.060 -7.745 10.719 373 1HZ LYS 48 HZ1 LYS 48 1.585 -9.350 11.681 374 2HZ LYS 48 HZ2 LYS 48 -0.012 -9.883 11.850 375 3HZ LYS 48 HZ3 LYS 48 0.807 -9.235 13.180 376 H TYR 49 HN TYR 49 1.341 -7.149 6.936 377 HA TYR 49 HA TYR 49 1.673 -9.937 7.787 378 1HB TYR 49 HB2 TYR 49 -0.349 -8.446 6.180 379 2HB TYR 49 HB1 TYR 49 -0.126 -10.160 5.847 380 HD1 TYR 49 HD1 TYR 49 -0.954 -11.814 7.325 381 HD2 TYR 49 HD2 TYR 49 -1.074 -7.719 8.466 382 HE1 TYR 49 HE1 TYR 49 -2.412 -12.390 9.223 383 HE2 TYR 49 HE2 TYR 49 -2.531 -8.284 10.368 384 HH TYR 49 HH TYR 49 -4.116 -10.082 11.002 385 H SER 50 HN SER 50 3.712 -10.456 6.975 386 HA SER 50 HA SER 50 4.243 -10.024 4.143 387 1HB SER 50 HB2 SER 50 6.047 -9.606 5.773 388 2HB SER 50 HB1 SER 50 5.992 -11.300 6.265 389 HG SER 50 HG SER 50 6.559 -10.374 3.640 390 H ASN 51 HN ASN 51 2.123 -11.610 4.296 391 HA ASN 51 HA ASN 51 3.073 -14.093 3.158 392 1HB ASN 51 HB2 ASN 51 2.760 -14.463 5.682 393 2HB ASN 51 HB1 ASN 51 1.038 -14.259 5.379 394 1HD2 ASN 51 HD21 ASN 51 2.881 -16.576 6.174 395 2HD2 ASN 51 HD22 ASN 51 2.376 -17.856 5.131 396 H VAL 52 HN VAL 52 0.313 -12.137 4.174 397 HA VAL 52 HA VAL 52 -1.358 -13.253 2.059 398 HB VAL 52 HB VAL 52 -3.202 -12.139 3.088 399 1HG1 VAL 52 HG11 VAL 52 -1.743 -12.845 5.562 400 2HG1 VAL 52 HG12 VAL 52 -1.844 -14.086 4.313 401 3HG1 VAL 52 HG13 VAL 52 -3.318 -13.382 4.980 402 1HG2 VAL 52 HG21 VAL 52 -2.360 -10.810 5.330 403 2HG2 VAL 52 HG22 VAL 52 -2.838 -10.051 3.811 404 3HG2 VAL 52 HG23 VAL 52 -1.134 -10.361 4.146 405 H ILE 53 HN ILE 53 -2.467 -11.941 0.533 406 HA ILE 53 HA ILE 53 -0.929 -9.548 -0.206 407 HB ILE 53 HB ILE 53 -1.116 -11.563 -1.793 408 1HG1 ILE 53 HG12 ILE 53 -1.476 -9.971 -3.783 409 2HG1 ILE 53 HG11 ILE 53 -1.656 -8.715 -2.561 410 1HG2 ILE 53 HG21 ILE 53 -3.002 -11.921 -3.073 411 2HG2 ILE 53 HG22 ILE 53 -3.708 -10.359 -2.658 412 3HG2 ILE 53 HG23 ILE 53 -3.669 -11.657 -1.463 413 1HD1 ILE 53 HD11 ILE 53 0.728 -9.925 -3.609 414 2HD1 ILE 53 HD12 ILE 53 0.656 -10.087 -1.853 415 3HD1 ILE 53 HD13 ILE 53 0.542 -8.492 -2.599 416 H PHE 54 HN PHE 54 -1.820 -7.697 0.270 417 HA PHE 54 HA PHE 54 -4.723 -7.459 0.616 418 1HB PHE 54 HB2 PHE 54 -2.309 -5.895 1.439 419 2HB PHE 54 HB1 PHE 54 -3.819 -5.038 1.267 420 HD1 PHE 54 HD1 PHE 54 -2.822 -8.320 2.851 421 HD2 PHE 54 HD2 PHE 54 -4.749 -4.537 3.227 422 HE1 PHE 54 HE1 PHE 54 -3.406 -8.839 5.191 423 HE2 PHE 54 HE2 PHE 54 -5.336 -5.059 5.554 424 HZ PHE 54 HZ PHE 54 -4.665 -7.209 6.539 425 H LEU 55 HN LEU 55 -5.854 -6.786 -1.226 426 HA LEU 55 HA LEU 55 -4.528 -4.732 -2.827 427 1HB LEU 55 HB2 LEU 55 -4.730 -5.746 -4.777 428 2HB LEU 55 HB1 LEU 55 -4.787 -7.209 -3.811 429 HG LEU 55 HG LEU 55 -7.451 -6.505 -4.019 430 1HD1 LEU 55 HD11 LEU 55 -6.070 -5.922 -6.639 431 2HD1 LEU 55 HD12 LEU 55 -6.926 -4.748 -5.638 432 3HD1 LEU 55 HD13 LEU 55 -7.811 -6.066 -6.404 433 1HD2 LEU 55 HD21 LEU 55 -7.604 -8.405 -5.502 434 2HD2 LEU 55 HD22 LEU 55 -6.386 -8.741 -4.272 435 3HD2 LEU 55 HD23 LEU 55 -5.891 -8.279 -5.899 436 H GLU 56 HN GLU 56 -6.058 -3.525 -4.273 437 HA GLU 56 HA GLU 56 -8.488 -2.962 -2.712 438 1HB GLU 56 HB2 GLU 56 -6.320 -1.399 -3.180 439 2HB GLU 56 HB1 GLU 56 -7.380 -0.908 -4.492 440 1HG GLU 56 HG2 GLU 56 -7.935 0.596 -2.848 441 2HG GLU 56 HG1 GLU 56 -9.160 -0.648 -2.618 442 H VAL 57 HN VAL 57 -10.339 -3.435 -3.721 443 HA VAL 57 HA VAL 57 -10.419 -3.100 -6.650 444 HB VAL 57 HB VAL 57 -12.378 -4.858 -5.217 445 1HG1 VAL 57 HG11 VAL 57 -11.408 -4.402 -7.993 446 2HG1 VAL 57 HG12 VAL 57 -13.059 -4.530 -7.382 447 3HG1 VAL 57 HG13 VAL 57 -12.067 -5.979 -7.565 448 1HG2 VAL 57 HG21 VAL 57 -10.062 -5.615 -4.610 449 2HG2 VAL 57 HG22 VAL 57 -9.751 -5.843 -6.331 450 3HG2 VAL 57 HG23 VAL 57 -11.000 -6.794 -5.526 451 H ASP 58 HN ASP 58 -11.513 -1.480 -7.291 452 HA ASP 58 HA ASP 58 -13.581 -0.321 -5.575 453 1HB ASP 58 HB2 ASP 58 -13.358 1.641 -7.067 454 2HB ASP 58 HB1 ASP 58 -11.836 1.201 -6.306 455 H VAL 59 HN VAL 59 -15.634 -0.788 -6.015 456 HA VAL 59 HA VAL 59 -16.419 -2.355 -8.184 457 HB VAL 59 HB VAL 59 -17.664 -2.230 -6.063 458 1HG1 VAL 59 HG11 VAL 59 -17.505 0.427 -6.234 459 2HG1 VAL 59 HG12 VAL 59 -18.760 -0.395 -5.306 460 3HG1 VAL 59 HG13 VAL 59 -19.109 0.204 -6.929 461 1HG2 VAL 59 HG21 VAL 59 -18.705 -3.155 -8.081 462 2HG2 VAL 59 HG22 VAL 59 -19.332 -1.556 -8.485 463 3HG2 VAL 59 HG23 VAL 59 -19.888 -2.379 -7.028 464 H ASP 60 HN ASP 60 -15.888 1.026 -8.058 465 HA ASP 60 HA ASP 60 -17.715 1.877 -10.037 466 1HB ASP 60 HB2 ASP 60 -16.315 3.346 -8.487 467 2HB ASP 60 HB1 ASP 60 -14.975 3.061 -9.594 468 H ASP 61 HN ASP 61 -14.461 0.568 -10.147 469 HA ASP 61 HA ASP 61 -14.495 0.563 -13.079 470 1HB ASP 61 HB2 ASP 61 -12.323 0.239 -11.024 471 2HB ASP 61 HB1 ASP 61 -12.087 -0.363 -12.662 472 H ALA 62 HN ALA 62 -14.378 -1.508 -10.268 473 HA ALA 62 HA ALA 62 -14.323 -3.913 -11.900 474 1HB ALA 62 HB1 ALA 62 -13.315 -4.861 -10.158 475 2HB ALA 62 HB2 ALA 62 -14.574 -4.327 -9.046 476 3HB ALA 62 HB3 ALA 62 -13.238 -3.249 -9.443 477 H GLN 63 HN GLN 63 -16.656 -2.425 -12.215 478 HA GLN 63 HA GLN 63 -18.741 -3.318 -10.507 479 1HB GLN 63 HB2 GLN 63 -18.744 -1.275 -12.037 480 2HB GLN 63 HB1 GLN 63 -19.100 -2.390 -13.349 481 1HG GLN 63 HG2 GLN 63 -21.008 -3.147 -11.665 482 2HG GLN 63 HG1 GLN 63 -20.803 -1.493 -11.100 483 1HE2 GLN 63 HE21 GLN 63 -22.539 -3.378 -13.116 484 2HE2 GLN 63 HE22 GLN 63 -23.028 -2.201 -14.283 485 H ASP 64 HN ASP 64 -16.978 -4.940 -12.898 486 HA ASP 64 HA ASP 64 -19.186 -6.702 -13.629 487 1HB ASP 64 HB2 ASP 64 -16.410 -6.273 -14.646 488 2HB ASP 64 HB1 ASP 64 -17.186 -7.826 -14.932 489 H VAL 65 HN VAL 65 -16.513 -6.606 -11.431 490 HA VAL 65 HA VAL 65 -16.405 -9.471 -11.109 491 HB VAL 65 HB VAL 65 -14.998 -8.855 -9.030 492 1HG1 VAL 65 HG11 VAL 65 -13.103 -8.087 -10.706 493 2HG1 VAL 65 HG12 VAL 65 -14.307 -8.567 -11.901 494 3HG1 VAL 65 HG13 VAL 65 -13.739 -9.732 -10.706 495 1HG2 VAL 65 HG21 VAL 65 -15.764 -6.492 -8.949 496 2HG2 VAL 65 HG22 VAL 65 -14.894 -6.206 -10.458 497 3HG2 VAL 65 HG23 VAL 65 -14.012 -6.672 -9.004 498 H ALA 66 HN ALA 66 -17.667 -6.725 -9.142 499 HA ALA 66 HA ALA 66 -18.506 -8.075 -6.922 500 1HB ALA 66 HB1 ALA 66 -19.048 -5.940 -6.548 501 2HB ALA 66 HB2 ALA 66 -20.566 -6.288 -7.374 502 3HB ALA 66 HB3 ALA 66 -19.213 -5.597 -8.270 503 HA PRO 67 HA PRO 67 -22.848 -8.930 -9.138 504 1HB PRO 67 HB2 PRO 67 -21.694 -9.082 -11.895 505 2HB PRO 67 HB1 PRO 67 -23.305 -8.564 -11.378 506 1HG PRO 67 HG2 PRO 67 -21.517 -6.738 -12.054 507 2HG PRO 67 HG1 PRO 67 -22.528 -6.484 -10.623 508 1HD PRO 67 HD2 PRO 67 -19.669 -7.353 -10.802 509 2HD PRO 67 HD1 PRO 67 -20.438 -6.234 -9.658 510 H LYS 68 HN LYS 68 -19.723 -10.135 -10.135 511 HA LYS 68 HA LYS 68 -20.596 -12.809 -10.705 512 1HB LYS 68 HB2 LYS 68 -18.226 -11.290 -11.038 513 2HB LYS 68 HB1 LYS 68 -17.802 -12.679 -10.046 514 1HG LYS 68 HG2 LYS 68 -18.157 -14.161 -11.723 515 2HG LYS 68 HG1 LYS 68 -19.447 -13.197 -12.450 516 1HD LYS 68 HD2 LYS 68 -17.688 -11.568 -13.180 517 2HD LYS 68 HD1 LYS 68 -16.477 -12.730 -12.640 518 1HE LYS 68 HE2 LYS 68 -18.605 -13.272 -14.708 519 2HE LYS 68 HE1 LYS 68 -16.931 -12.857 -15.066 520 1HZ LYS 68 HZ1 LYS 68 -18.036 -15.347 -13.988 521 2HZ LYS 68 HZ2 LYS 68 -16.478 -14.896 -13.513 522 3HZ LYS 68 HZ3 LYS 68 -16.830 -15.117 -15.153 523 H TYR 69 HN TYR 69 -19.662 -11.025 -7.864 524 HA TYR 69 HA TYR 69 -19.514 -13.502 -6.268 525 1HB TYR 69 HB2 TYR 69 -18.521 -10.691 -5.780 526 2HB TYR 69 HB1 TYR 69 -18.527 -11.943 -4.548 527 HD1 TYR 69 HD1 TYR 69 -17.344 -14.205 -5.292 528 HD2 TYR 69 HD2 TYR 69 -16.615 -10.391 -7.030 529 HE1 TYR 69 HE1 TYR 69 -15.171 -15.002 -6.123 530 HE2 TYR 69 HE2 TYR 69 -14.441 -11.178 -7.865 531 HH TYR 69 HH TYR 69 -13.594 -14.264 -8.172 532 H GLY 70 HN GLY 70 -21.611 -11.057 -7.098 533 1HA GLY 70 HA2 GLY 70 -23.682 -10.439 -6.307 534 2HA GLY 70 HA1 GLY 70 -23.586 -11.821 -5.233 535 H ILE 71 HN ILE 71 -21.433 -9.005 -5.300 536 HA ILE 71 HA ILE 71 -21.775 -8.626 -2.470 537 HB ILE 71 HB ILE 71 -20.325 -6.870 -4.459 538 1HG1 ILE 71 HG12 ILE 71 -19.223 -8.934 -2.551 539 2HG1 ILE 71 HG11 ILE 71 -19.469 -9.212 -4.272 540 1HG2 ILE 71 HG21 ILE 71 -19.088 -6.376 -2.154 541 2HG2 ILE 71 HG22 ILE 71 -20.685 -6.756 -1.515 542 3HG2 ILE 71 HG23 ILE 71 -20.492 -5.448 -2.684 543 1HD1 ILE 71 HD11 ILE 71 -17.985 -6.960 -4.337 544 2HD1 ILE 71 HD12 ILE 71 -17.323 -8.593 -4.409 545 3HD1 ILE 71 HD13 ILE 71 -17.363 -7.726 -2.874 546 H ARG 72 HN ARG 72 -23.064 -7.206 -1.441 547 HA ARG 72 HA ARG 72 -24.256 -5.000 -2.903 548 1HB ARG 72 HB2 ARG 72 -25.724 -7.055 -3.195 549 2HB ARG 72 HB1 ARG 72 -26.052 -6.951 -1.471 550 1HG ARG 72 HG2 ARG 72 -27.852 -5.872 -2.498 551 2HG ARG 72 HG1 ARG 72 -26.815 -4.567 -1.918 552 1HD ARG 72 HD2 ARG 72 -25.870 -4.314 -4.152 553 2HD ARG 72 HD1 ARG 72 -26.874 -5.641 -4.738 554 HE ARG 72 HE ARG 72 -28.639 -4.194 -4.875 555 1HH1 ARG 72 HH11 ARG 72 -26.203 -2.767 -2.818 556 2HH1 ARG 72 HH12 ARG 72 -26.979 -1.219 -2.768 557 1HH2 ARG 72 HH21 ARG 72 -29.656 -2.157 -4.804 558 2HH2 ARG 72 HH22 ARG 72 -28.937 -0.872 -3.892 559 H GLY 73 HN GLY 73 -22.409 -4.729 -0.971 560 1HA GLY 73 HA2 GLY 73 -23.713 -3.092 0.922 561 2HA GLY 73 HA1 GLY 73 -23.280 -4.614 1.680 562 H ILE 74 HN ILE 74 -22.189 -1.553 0.646 563 HA ILE 74 HA ILE 74 -19.370 -2.260 1.088 564 HB ILE 74 HB ILE 74 -18.942 0.083 0.244 565 1HG1 ILE 74 HG12 ILE 74 -21.781 -0.027 -0.759 566 2HG1 ILE 74 HG11 ILE 74 -21.370 0.755 0.764 567 1HG2 ILE 74 HG21 ILE 74 -19.097 -0.523 -2.046 568 2HG2 ILE 74 HG22 ILE 74 -20.438 -1.625 -1.731 569 3HG2 ILE 74 HG23 ILE 74 -18.821 -2.015 -1.146 570 1HD1 ILE 74 HD11 ILE 74 -20.474 1.507 -1.998 571 2HD1 ILE 74 HD12 ILE 74 -19.749 2.170 -0.535 572 3HD1 ILE 74 HD13 ILE 74 -21.458 2.445 -0.873 573 HA PRO 75 HA PRO 75 -17.499 -0.996 1.486 574 1HB PRO 75 HB2 PRO 75 -15.972 -1.172 3.937 575 2HB PRO 75 HB1 PRO 75 -15.852 0.036 2.659 576 1HG PRO 75 HG2 PRO 75 -16.776 0.577 5.173 577 2HG PRO 75 HG1 PRO 75 -17.248 1.496 3.733 578 1HD PRO 75 HD2 PRO 75 -18.724 -0.682 5.165 579 2HD PRO 75 HD1 PRO 75 -19.346 0.834 4.477 580 H THR 76 HN THR 76 -17.574 -3.083 0.795 581 HA THR 76 HA THR 76 -17.906 -5.246 2.684 582 HB THR 76 HB THR 76 -17.359 -6.000 -0.082 583 HG1 THR 76 HG1 THR 76 -18.580 -4.611 -1.039 584 1HG2 THR 76 HG21 THR 76 -18.776 -7.049 1.997 585 2HG2 THR 76 HG22 THR 76 -18.876 -7.565 0.314 586 3HG2 THR 76 HG23 THR 76 -20.045 -6.409 0.954 587 H LEU 77 HN LEU 77 -16.409 -6.677 3.321 588 HA LEU 77 HA LEU 77 -13.692 -6.380 2.231 589 1HB LEU 77 HB2 LEU 77 -14.696 -6.655 4.945 590 2HB LEU 77 HB1 LEU 77 -13.550 -7.926 4.567 591 HG LEU 77 HG LEU 77 -11.879 -6.219 3.941 592 1HD1 LEU 77 HD11 LEU 77 -13.712 -4.491 3.414 593 2HD1 LEU 77 HD12 LEU 77 -12.216 -3.932 4.163 594 3HD1 LEU 77 HD13 LEU 77 -13.667 -4.137 5.143 595 1HD2 LEU 77 HD21 LEU 77 -12.453 -7.127 6.371 596 2HD2 LEU 77 HD22 LEU 77 -12.752 -5.412 6.654 597 3HD2 LEU 77 HD23 LEU 77 -11.174 -5.947 6.081 598 H LEU 78 HN LEU 78 -12.930 -8.015 1.073 599 HA LEU 78 HA LEU 78 -14.391 -10.570 1.217 600 1HB LEU 78 HB2 LEU 78 -13.334 -8.981 -1.074 601 2HB LEU 78 HB1 LEU 78 -13.364 -10.723 -1.227 602 HG LEU 78 HG LEU 78 -15.651 -8.791 -1.082 603 1HD1 LEU 78 HD11 LEU 78 -14.444 -10.010 -3.148 604 2HD1 LEU 78 HD12 LEU 78 -16.145 -9.545 -3.144 605 3HD1 LEU 78 HD13 LEU 78 -15.682 -11.204 -2.767 606 1HD2 LEU 78 HD21 LEU 78 -16.440 -10.238 0.558 607 2HD2 LEU 78 HD22 LEU 78 -15.693 -11.651 -0.187 608 3HD2 LEU 78 HD23 LEU 78 -17.110 -10.907 -0.930 609 H LEU 79 HN LEU 79 -13.289 -12.392 1.519 610 HA LEU 79 HA LEU 79 -10.351 -12.251 1.574 611 1HB LEU 79 HB2 LEU 79 -12.351 -13.507 3.364 612 2HB LEU 79 HB1 LEU 79 -10.931 -14.474 3.021 613 HG LEU 79 HG LEU 79 -10.808 -13.118 5.118 614 1HD1 LEU 79 HD11 LEU 79 -8.754 -13.871 4.377 615 2HD1 LEU 79 HD12 LEU 79 -8.505 -12.128 4.461 616 3HD1 LEU 79 HD13 LEU 79 -8.810 -12.904 2.905 617 1HD2 LEU 79 HD21 LEU 79 -11.945 -11.115 4.324 618 2HD2 LEU 79 HD22 LEU 79 -10.643 -10.820 3.172 619 3HD2 LEU 79 HD23 LEU 79 -10.326 -10.727 4.905 620 H PHE 80 HN PHE 80 -9.301 -13.487 0.135 621 HA PHE 80 HA PHE 80 -10.810 -15.677 -1.129 622 1HB PHE 80 HB2 PHE 80 -8.923 -13.640 -2.280 623 2HB PHE 80 HB1 PHE 80 -9.167 -15.182 -3.088 624 HD1 PHE 80 HD1 PHE 80 -10.642 -11.977 -2.202 625 HD2 PHE 80 HD2 PHE 80 -11.330 -15.726 -4.098 626 HE1 PHE 80 HE1 PHE 80 -12.672 -11.066 -3.253 627 HE2 PHE 80 HE2 PHE 80 -13.363 -14.821 -5.154 628 HZ PHE 80 HZ PHE 80 -14.034 -12.488 -4.731 629 H LYS 81 HN LYS 81 -9.743 -17.574 -1.582 630 HA LYS 81 HA LYS 81 -6.980 -17.897 -0.689 631 1HB LYS 81 HB2 LYS 81 -8.971 -18.477 1.060 632 2HB LYS 81 HB1 LYS 81 -8.840 -20.015 0.220 633 1HG LYS 81 HG2 LYS 81 -6.891 -20.520 1.185 634 2HG LYS 81 HG1 LYS 81 -6.274 -18.875 1.037 635 1HD LYS 81 HD2 LYS 81 -7.653 -18.203 2.961 636 2HD LYS 81 HD1 LYS 81 -8.240 -19.860 3.112 637 1HE LYS 81 HE2 LYS 81 -5.325 -19.118 3.252 638 2HE LYS 81 HE1 LYS 81 -6.365 -19.203 4.674 639 1HZ LYS 81 HZ1 LYS 81 -6.170 -21.497 2.832 640 2HZ LYS 81 HZ2 LYS 81 -6.599 -21.481 4.467 641 3HZ LYS 81 HZ3 LYS 81 -4.984 -21.254 4.015 642 H ASN 82 HN ASN 82 -6.059 -18.706 -2.491 643 HA ASN 82 HA ASN 82 -5.673 -20.030 -4.303 644 1HB ASN 82 HB2 ASN 82 -7.726 -21.956 -3.229 645 2HB ASN 82 HB1 ASN 82 -6.295 -22.305 -4.188 646 1HD2 ASN 82 HD21 ASN 82 -4.235 -21.322 -2.992 647 2HD2 ASN 82 HD22 ASN 82 -4.082 -21.858 -1.358 648 H GLY 83 HN GLY 83 -7.385 -17.974 -4.743 649 1HA GLY 83 HA2 GLY 83 -8.765 -17.241 -6.424 650 2HA GLY 83 HA1 GLY 83 -8.813 -18.885 -7.025 651 H GLU 84 HN GLU 84 -9.805 -19.185 -3.915 652 HA GLU 84 HA GLU 84 -12.607 -18.802 -4.653 653 1HB GLU 84 HB2 GLU 84 -13.087 -20.864 -3.851 654 2HB GLU 84 HB1 GLU 84 -11.425 -21.151 -4.285 655 1HG GLU 84 HG2 GLU 84 -11.386 -22.049 -2.223 656 2HG GLU 84 HG1 GLU 84 -11.040 -20.383 -1.772 657 H VAL 85 HN VAL 85 -13.902 -17.689 -3.327 658 HA VAL 85 HA VAL 85 -12.781 -16.083 -1.268 659 HB VAL 85 HB VAL 85 -14.688 -15.310 -2.588 660 1HG1 VAL 85 HG11 VAL 85 -15.760 -17.676 -2.528 661 2HG1 VAL 85 HG12 VAL 85 -16.797 -16.251 -2.574 662 3HG1 VAL 85 HG13 VAL 85 -16.525 -17.096 -1.049 663 1HG2 VAL 85 HG21 VAL 85 -14.379 -14.214 -0.504 664 2HG2 VAL 85 HG22 VAL 85 -15.144 -15.536 0.379 665 3HG2 VAL 85 HG23 VAL 85 -16.108 -14.506 -0.679 666 H ALA 86 HN ALA 86 -12.284 -16.791 0.765 667 HA ALA 86 HA ALA 86 -13.872 -19.000 1.860 668 1HB ALA 86 HB1 ALA 86 -11.165 -18.228 2.878 669 2HB ALA 86 HB2 ALA 86 -11.364 -19.292 1.485 670 3HB ALA 86 HB3 ALA 86 -12.018 -19.763 3.053 671 H ALA 87 HN ALA 87 -14.061 -15.890 2.009 672 HA ALA 87 HA ALA 87 -15.376 -15.797 4.484 673 1HB ALA 87 HB1 ALA 87 -13.319 -13.927 5.061 674 2HB ALA 87 HB2 ALA 87 -12.572 -15.488 4.723 675 3HB ALA 87 HB3 ALA 87 -13.808 -15.355 5.974 676 H THR 88 HN THR 88 -16.699 -14.045 4.600 677 HA THR 88 HA THR 88 -16.114 -11.760 2.866 678 HB THR 88 HB THR 88 -18.777 -13.192 2.940 679 HG1 THR 88 HG1 THR 88 -16.675 -13.154 1.058 680 1HG2 THR 88 HG21 THR 88 -17.968 -10.590 1.885 681 2HG2 THR 88 HG22 THR 88 -19.568 -11.220 2.276 682 3HG2 THR 88 HG23 THR 88 -18.813 -11.621 0.734 683 H LYS 89 HN LYS 89 -16.325 -9.900 3.919 684 HA LYS 89 HA LYS 89 -18.120 -9.819 6.248 685 1HB LYS 89 HB2 LYS 89 -15.282 -9.093 5.975 686 2HB LYS 89 HB1 LYS 89 -16.270 -7.895 6.800 687 1HG LYS 89 HG2 LYS 89 -16.319 -10.792 7.569 688 2HG LYS 89 HG1 LYS 89 -15.135 -9.662 8.231 689 1HD LYS 89 HD2 LYS 89 -17.128 -8.205 8.866 690 2HD LYS 89 HD1 LYS 89 -18.127 -9.619 8.521 691 1HE LYS 89 HE2 LYS 89 -17.044 -10.898 10.204 692 2HE LYS 89 HE1 LYS 89 -15.796 -9.672 10.423 693 1HZ LYS 89 HZ1 LYS 89 -17.238 -8.286 11.548 694 2HZ LYS 89 HZ2 LYS 89 -17.727 -9.810 12.099 695 3HZ LYS 89 HZ3 LYS 89 -18.626 -9.012 10.911 696 H VAL 90 HN VAL 90 -19.292 -7.974 6.591 697 HA VAL 90 HA VAL 90 -19.293 -5.993 4.409 698 HB VAL 90 HB VAL 90 -21.701 -6.835 6.024 699 1HG1 VAL 90 HG11 VAL 90 -22.219 -4.735 5.231 700 2HG1 VAL 90 HG12 VAL 90 -22.784 -5.747 3.902 701 3HG1 VAL 90 HG13 VAL 90 -21.231 -4.921 3.782 702 1HG2 VAL 90 HG21 VAL 90 -22.420 -8.114 4.114 703 2HG2 VAL 90 HG22 VAL 90 -20.822 -8.672 4.611 704 3HG2 VAL 90 HG23 VAL 90 -20.992 -7.625 3.202 705 H GLY 91 HN GLY 91 -19.638 -3.806 4.938 706 1HA GLY 91 HA2 GLY 91 -19.779 -1.951 6.289 707 2HA GLY 91 HA1 GLY 91 -20.131 -3.004 7.644 708 H ALA 92 HN ALA 92 -18.490 -0.745 7.779 709 HA ALA 92 HA ALA 92 -15.737 -1.414 7.605 710 1HB ALA 92 HB1 ALA 92 -16.062 0.857 7.524 711 2HB ALA 92 HB2 ALA 92 -15.599 0.650 9.213 712 3HB ALA 92 HB3 ALA 92 -17.299 0.837 8.780 713 H LEU 93 HN LEU 93 -14.311 -2.092 9.135 714 HA LEU 93 HA LEU 93 -15.369 -2.800 11.787 715 1HB LEU 93 HB2 LEU 93 -13.686 -4.786 11.560 716 2HB LEU 93 HB1 LEU 93 -15.286 -4.908 10.852 717 HG LEU 93 HG LEU 93 -13.026 -3.911 9.171 718 1HD1 LEU 93 HD11 LEU 93 -11.969 -5.844 9.917 719 2HD1 LEU 93 HD12 LEU 93 -12.786 -6.361 8.445 720 3HD1 LEU 93 HD13 LEU 93 -13.482 -6.749 10.016 721 1HD2 LEU 93 HD21 LEU 93 -14.888 -3.775 7.899 722 2HD2 LEU 93 HD22 LEU 93 -15.732 -5.031 8.803 723 3HD2 LEU 93 HD23 LEU 93 -14.519 -5.476 7.603 724 H SER 94 HN SER 94 -13.825 -2.773 13.496 725 HA SER 94 HA SER 94 -11.878 -0.742 13.283 726 1HB SER 94 HB2 SER 94 -13.157 -1.806 15.373 727 2HB SER 94 HB1 SER 94 -11.660 -2.730 15.487 728 HG SER 94 HG SER 94 -11.546 -0.790 16.683 729 H LYS 95 HN LYS 95 -9.568 -1.313 14.288 730 HA LYS 95 HA LYS 95 -8.234 -2.809 12.266 731 1HB LYS 95 HB2 LYS 95 -7.232 -0.836 13.328 732 2HB LYS 95 HB1 LYS 95 -7.165 -1.692 14.863 733 1HG LYS 95 HG2 LYS 95 -5.360 -2.904 14.266 734 2HG LYS 95 HG1 LYS 95 -5.859 -3.020 12.577 735 1HD LYS 95 HD2 LYS 95 -5.261 -0.576 12.356 736 2HD LYS 95 HD1 LYS 95 -4.534 -0.693 13.961 737 1HE LYS 95 HE2 LYS 95 -2.895 -2.212 13.226 738 2HE LYS 95 HE1 LYS 95 -3.770 -2.558 11.734 739 1HZ LYS 95 HZ1 LYS 95 -2.521 0.053 12.401 740 2HZ LYS 95 HZ2 LYS 95 -3.281 -0.347 10.944 741 3HZ LYS 95 HZ3 LYS 95 -1.839 -1.114 11.383 742 H GLY 96 HN GLY 96 -9.209 -3.503 15.571 743 1HA GLY 96 HA2 GLY 96 -7.617 -5.870 15.792 744 2HA GLY 96 HA1 GLY 96 -8.884 -5.361 16.890 745 H GLN 97 HN GLN 97 -10.888 -5.191 14.740 746 HA GLN 97 HA GLN 97 -11.710 -7.940 14.807 747 1HB GLN 97 HB2 GLN 97 -13.000 -5.706 13.242 748 2HB GLN 97 HB1 GLN 97 -13.745 -7.197 13.807 749 1HG GLN 97 HG2 GLN 97 -13.820 -6.473 16.010 750 2HG GLN 97 HG1 GLN 97 -12.609 -5.221 15.742 751 1HE2 GLN 97 HE21 GLN 97 -14.599 -4.279 17.014 752 2HE2 GLN 97 HE22 GLN 97 -15.716 -3.405 16.027 753 H LEU 98 HN LEU 98 -10.270 -5.786 12.480 754 HA LEU 98 HA LEU 98 -10.722 -7.459 10.202 755 1HB LEU 98 HB2 LEU 98 -9.868 -4.880 10.537 756 2HB LEU 98 HB1 LEU 98 -8.371 -5.692 10.123 757 HG LEU 98 HG LEU 98 -10.687 -6.291 8.383 758 1HD1 LEU 98 HD11 LEU 98 -11.064 -3.944 8.658 759 2HD1 LEU 98 HD12 LEU 98 -10.308 -4.206 7.085 760 3HD1 LEU 98 HD13 LEU 98 -9.349 -3.595 8.433 761 1HD2 LEU 98 HD21 LEU 98 -8.044 -5.396 7.395 762 2HD2 LEU 98 HD22 LEU 98 -9.091 -6.696 6.823 763 3HD2 LEU 98 HD23 LEU 98 -8.102 -6.927 8.267 764 H LYS 99 HN LYS 99 -7.907 -6.803 12.256 765 HA LYS 99 HA LYS 99 -6.157 -8.646 11.081 766 1HB LYS 99 HB2 LYS 99 -5.634 -6.765 12.724 767 2HB LYS 99 HB1 LYS 99 -6.132 -7.870 13.996 768 1HG LYS 99 HG2 LYS 99 -4.381 -9.446 13.274 769 2HG LYS 99 HG1 LYS 99 -3.859 -8.274 12.061 770 1HD LYS 99 HD2 LYS 99 -2.453 -7.572 13.673 771 2HD LYS 99 HD1 LYS 99 -3.876 -6.746 14.309 772 1HE LYS 99 HE2 LYS 99 -4.141 -8.219 16.020 773 2HE LYS 99 HE1 LYS 99 -3.481 -9.572 15.103 774 1HZ LYS 99 HZ1 LYS 99 -2.068 -7.516 16.656 775 2HZ LYS 99 HZ2 LYS 99 -1.282 -8.229 15.337 776 3HZ LYS 99 HZ3 LYS 99 -1.827 -9.190 16.618 777 H GLU 100 HN GLU 100 -8.452 -9.021 13.771 778 HA GLU 100 HA GLU 100 -7.676 -11.634 14.485 779 1HB GLU 100 HB2 GLU 100 -9.516 -11.684 15.896 780 2HB GLU 100 HB1 GLU 100 -9.226 -9.961 15.740 781 1HG GLU 100 HG2 GLU 100 -11.433 -9.898 15.396 782 2HG GLU 100 HG1 GLU 100 -10.990 -10.309 13.742 783 H PHE 101 HN PHE 101 -9.950 -10.413 12.087 784 HA PHE 101 HA PHE 101 -11.086 -12.892 11.331 785 1HB PHE 101 HB2 PHE 101 -11.896 -10.533 10.748 786 2HB PHE 101 HB1 PHE 101 -10.656 -10.529 9.500 787 HD1 PHE 101 HD1 PHE 101 -13.110 -13.101 10.658 788 HD2 PHE 101 HD2 PHE 101 -11.610 -10.752 7.440 789 HE1 PHE 101 HE1 PHE 101 -14.653 -14.237 9.113 790 HE2 PHE 101 HE2 PHE 101 -13.152 -11.881 5.892 791 HZ PHE 101 HZ PHE 101 -14.673 -13.627 6.727 792 H LEU 102 HN LEU 102 -8.284 -11.066 10.216 793 HA LEU 102 HA LEU 102 -7.597 -12.814 8.096 794 1HB LEU 102 HB2 LEU 102 -6.420 -10.498 9.447 795 2HB LEU 102 HB1 LEU 102 -5.225 -11.647 8.875 796 HG LEU 102 HG LEU 102 -7.365 -10.395 7.158 797 1HD1 LEU 102 HD11 LEU 102 -5.612 -8.820 8.015 798 2HD1 LEU 102 HD12 LEU 102 -5.692 -8.977 6.261 799 3HD1 LEU 102 HD13 LEU 102 -4.417 -9.798 7.161 800 1HD2 LEU 102 HD21 LEU 102 -5.940 -12.734 6.760 801 2HD2 LEU 102 HD22 LEU 102 -5.047 -11.527 5.834 802 3HD2 LEU 102 HD23 LEU 102 -6.763 -11.784 5.524 803 H ASP 103 HN ASP 103 -6.115 -12.392 11.328 804 HA ASP 103 HA ASP 103 -4.356 -14.509 11.287 805 1HB ASP 103 HB2 ASP 103 -4.982 -12.696 13.146 806 2HB ASP 103 HB1 ASP 103 -5.871 -14.059 13.819 807 H ALA 104 HN ALA 104 -7.826 -14.559 11.826 808 HA ALA 104 HA ALA 104 -7.955 -17.290 12.640 809 1HB ALA 104 HB1 ALA 104 -9.934 -15.180 11.958 810 2HB ALA 104 HB2 ALA 104 -9.759 -16.136 13.428 811 3HB ALA 104 HB3 ALA 104 -10.468 -16.862 11.987 812 H ASN 105 HN ASN 105 -7.769 -15.755 9.537 813 HA ASN 105 HA ASN 105 -8.691 -18.234 8.236 814 1HB ASN 105 HB2 ASN 105 -9.517 -15.709 7.748 815 2HB ASN 105 HB1 ASN 105 -8.200 -15.826 6.586 816 1HD2 ASN 105 HD21 ASN 105 -9.729 -15.674 4.899 817 2HD2 ASN 105 HD22 ASN 105 -10.690 -17.036 4.446 818 H LEU 106 HN LEU 106 -5.996 -15.996 8.455 819 HA LEU 106 HA LEU 106 -4.456 -17.101 6.337 820 1HB LEU 106 HB2 LEU 106 -4.118 -14.839 7.250 821 2HB LEU 106 HB1 LEU 106 -3.581 -15.536 8.764 822 HG LEU 106 HG LEU 106 -1.784 -14.662 7.201 823 1HD1 LEU 106 HD11 LEU 106 -1.674 -16.499 9.097 824 2HD1 LEU 106 HD12 LEU 106 -0.274 -16.096 8.102 825 3HD1 LEU 106 HD13 LEU 106 -1.237 -17.527 7.733 826 1HD2 LEU 106 HD21 LEU 106 -2.183 -17.257 5.739 827 2HD2 LEU 106 HD22 LEU 106 -1.133 -15.903 5.321 828 3HD2 LEU 106 HD23 LEU 106 -2.882 -15.740 5.170 829 H VAL 107 HN VAL 107 -3.683 -19.095 6.302 830 HA VAL 107 HA VAL 107 -2.144 -20.126 8.515 831 HB VAL 107 HB VAL 107 -3.458 -22.304 8.527 832 1HG1 VAL 107 HG11 VAL 107 -5.077 -20.039 9.628 833 2HG1 VAL 107 HG12 VAL 107 -3.473 -20.401 10.265 834 3HG1 VAL 107 HG13 VAL 107 -4.746 -21.620 10.336 835 1HG2 VAL 107 HG21 VAL 107 -4.816 -21.308 6.452 836 2HG2 VAL 107 HG22 VAL 107 -5.876 -20.776 7.758 837 3HG2 VAL 107 HG23 VAL 107 -5.505 -22.489 7.564 Start of MODEL 18 1 1H MET 1 HT1 MET 1 2.286 -4.004 -0.136 2 2H MET 1 HT2 MET 1 3.802 -4.688 -0.563 3 3H MET 1 HT3 MET 1 2.346 -5.487 -0.992 4 HA MET 1 HA MET 1 3.406 -2.954 -2.035 5 1HB MET 1 HB2 MET 1 3.997 -5.465 -2.761 6 2HB MET 1 HB1 MET 1 2.516 -5.265 -3.685 7 1HG MET 1 HG2 MET 1 3.462 -3.278 -4.759 8 2HG MET 1 HG1 MET 1 4.954 -3.508 -3.846 9 1HE MET 1 HE1 MET 1 6.406 -3.446 -5.429 10 2HE MET 1 HE2 MET 1 6.057 -3.872 -7.105 11 3HE MET 1 HE3 MET 1 7.037 -4.947 -6.108 12 H VAL 2 HN VAL 2 0.697 -5.265 -2.248 13 HA VAL 2 HA VAL 2 -1.519 -4.975 -2.680 14 HB VAL 2 HB VAL 2 -1.017 -2.069 -2.009 15 1HG1 VAL 2 HG11 VAL 2 -3.254 -3.065 -3.148 16 2HG1 VAL 2 HG12 VAL 2 -3.242 -1.696 -2.040 17 3HG1 VAL 2 HG13 VAL 2 -3.631 -3.309 -1.445 18 1HG2 VAL 2 HG21 VAL 2 -0.885 -4.381 -0.353 19 2HG2 VAL 2 HG22 VAL 2 -2.303 -3.440 0.109 20 3HG2 VAL 2 HG23 VAL 2 -0.709 -2.686 0.099 21 H LYS 3 HN LYS 3 -2.865 -4.487 -4.420 22 HA LYS 3 HA LYS 3 -1.880 -2.615 -6.425 23 1HB LYS 3 HB2 LYS 3 -2.317 -4.417 -8.198 24 2HB LYS 3 HB1 LYS 3 -0.826 -4.531 -7.277 25 1HG LYS 3 HG2 LYS 3 -1.846 -6.233 -5.841 26 2HG LYS 3 HG1 LYS 3 -3.336 -6.123 -6.784 27 1HD LYS 3 HD2 LYS 3 -2.207 -7.983 -7.667 28 2HD LYS 3 HD1 LYS 3 -1.887 -6.679 -8.812 29 1HE LYS 3 HE2 LYS 3 0.208 -7.623 -8.540 30 2HE LYS 3 HE1 LYS 3 0.243 -6.287 -7.392 31 1HZ LYS 3 HZ1 LYS 3 0.988 -8.683 -6.701 32 2HZ LYS 3 HZ2 LYS 3 -0.670 -8.907 -6.449 33 3HZ LYS 3 HZ3 LYS 3 0.155 -7.689 -5.614 34 H GLN 4 HN GLN 4 -3.508 -1.417 -7.062 35 HA GLN 4 HA GLN 4 -6.191 -2.078 -6.356 36 1HB GLN 4 HB2 GLN 4 -5.434 0.230 -6.309 37 2HB GLN 4 HB1 GLN 4 -5.070 0.179 -8.028 38 1HG GLN 4 HG2 GLN 4 -7.152 0.720 -8.558 39 2HG GLN 4 HG1 GLN 4 -7.806 -0.569 -7.548 40 1HE2 GLN 4 HE21 GLN 4 -9.162 0.132 -6.082 41 2HE2 GLN 4 HE22 GLN 4 -9.094 1.650 -5.259 42 H ILE 5 HN ILE 5 -7.707 -3.058 -7.562 43 HA ILE 5 HA ILE 5 -7.006 -3.791 -10.319 44 HB ILE 5 HB ILE 5 -8.523 -5.133 -8.161 45 1HG1 ILE 5 HG12 ILE 5 -7.409 -7.068 -8.944 46 2HG1 ILE 5 HG11 ILE 5 -7.115 -6.357 -10.525 47 1HG2 ILE 5 HG21 ILE 5 -9.389 -5.325 -11.034 48 2HG2 ILE 5 HG22 ILE 5 -10.377 -4.954 -9.619 49 3HG2 ILE 5 HG23 ILE 5 -9.725 -6.577 -9.838 50 1HD1 ILE 5 HD11 ILE 5 -5.211 -5.406 -9.863 51 2HD1 ILE 5 HD12 ILE 5 -5.300 -6.531 -8.508 52 3HD1 ILE 5 HD13 ILE 5 -5.891 -4.881 -8.324 53 H GLU 6 HN GLU 6 -7.780 -2.400 -11.764 54 HA GLU 6 HA GLU 6 -10.368 -1.134 -11.288 55 1HB GLU 6 HB2 GLU 6 -7.939 -0.384 -12.799 56 2HB GLU 6 HB1 GLU 6 -9.471 0.113 -13.506 57 1HG GLU 6 HG2 GLU 6 -10.006 1.064 -11.186 58 2HG GLU 6 HG1 GLU 6 -8.281 0.888 -10.871 59 H SER 7 HN SER 7 -9.852 -3.948 -12.368 60 HA SER 7 HA SER 7 -11.904 -3.807 -14.395 61 1HB SER 7 HB2 SER 7 -9.064 -4.466 -15.034 62 2HB SER 7 HB1 SER 7 -10.336 -5.364 -15.863 63 HG SER 7 HG SER 7 -10.420 -3.687 -17.122 64 H LYS 8 HN LYS 8 -12.719 -5.950 -15.012 65 HA LYS 8 HA LYS 8 -12.911 -7.667 -12.742 66 1HB LYS 8 HB2 LYS 8 -14.802 -7.301 -14.255 67 2HB LYS 8 HB1 LYS 8 -13.906 -8.036 -15.574 68 1HG LYS 8 HG2 LYS 8 -13.814 -10.026 -13.746 69 2HG LYS 8 HG1 LYS 8 -15.366 -9.282 -13.353 70 1HD LYS 8 HD2 LYS 8 -16.330 -10.111 -15.189 71 2HD LYS 8 HD1 LYS 8 -15.001 -9.570 -16.216 72 1HE LYS 8 HE2 LYS 8 -14.321 -11.850 -14.521 73 2HE LYS 8 HE1 LYS 8 -15.628 -12.179 -15.656 74 1HZ LYS 8 HZ1 LYS 8 -14.250 -11.582 -17.471 75 2HZ LYS 8 HZ2 LYS 8 -13.347 -12.640 -16.510 76 3HZ LYS 8 HZ3 LYS 8 -13.037 -10.978 -16.458 77 H THR 9 HN THR 9 -10.984 -7.638 -15.632 78 HA THR 9 HA THR 9 -10.206 -10.406 -15.437 79 HB THR 9 HB THR 9 -8.670 -8.375 -17.016 80 HG1 THR 9 HG1 THR 9 -10.663 -7.805 -17.648 81 1HG2 THR 9 HG21 THR 9 -9.412 -11.251 -17.386 82 2HG2 THR 9 HG22 THR 9 -7.807 -10.525 -17.306 83 3HG2 THR 9 HG23 THR 9 -8.830 -10.253 -18.717 84 H ALA 10 HN ALA 10 -8.990 -7.310 -14.376 85 HA ALA 10 HA ALA 10 -6.357 -8.111 -13.735 86 1HB ALA 10 HB1 ALA 10 -7.057 -5.759 -13.964 87 2HB ALA 10 HB2 ALA 10 -6.252 -6.063 -12.424 88 3HB ALA 10 HB3 ALA 10 -8.008 -5.908 -12.487 89 H PHE 11 HN PHE 11 -9.389 -8.158 -11.885 90 HA PHE 11 HA PHE 11 -8.330 -8.772 -9.363 91 1HB PHE 11 HB2 PHE 11 -10.792 -8.277 -10.066 92 2HB PHE 11 HB1 PHE 11 -10.897 -10.007 -10.360 93 HD1 PHE 11 HD1 PHE 11 -9.143 -8.147 -7.661 94 HD2 PHE 11 HD2 PHE 11 -12.275 -10.842 -8.685 95 HE1 PHE 11 HE1 PHE 11 -9.597 -8.519 -5.275 96 HE2 PHE 11 HE2 PHE 11 -12.735 -11.216 -6.295 97 HZ PHE 11 HZ PHE 11 -11.393 -10.054 -4.589 98 H GLN 12 HN GLN 12 -9.095 -10.825 -12.110 99 HA GLN 12 HA GLN 12 -8.506 -13.302 -10.826 100 1HB GLN 12 HB2 GLN 12 -8.353 -12.718 -13.787 101 2HB GLN 12 HB1 GLN 12 -8.609 -14.278 -13.018 102 1HG GLN 12 HG2 GLN 12 -10.598 -12.263 -12.302 103 2HG GLN 12 HG1 GLN 12 -10.564 -12.668 -14.017 104 1HE2 GLN 12 HE21 GLN 12 -9.946 -14.650 -11.150 105 2HE2 GLN 12 HE22 GLN 12 -11.184 -15.813 -11.473 106 H GLU 13 HN GLU 13 -6.690 -11.112 -12.923 107 HA GLU 13 HA GLU 13 -4.357 -12.587 -13.180 108 1HB GLU 13 HB2 GLU 13 -3.711 -10.827 -14.411 109 2HB GLU 13 HB1 GLU 13 -5.301 -10.168 -14.080 110 1HG GLU 13 HG2 GLU 13 -4.453 -8.819 -12.309 111 2HG GLU 13 HG1 GLU 13 -2.875 -9.604 -12.395 112 H ALA 14 HN ALA 14 -5.160 -10.117 -10.737 113 HA ALA 14 HA ALA 14 -2.701 -10.267 -9.352 114 1HB ALA 14 HB1 ALA 14 -4.200 -9.366 -7.415 115 2HB ALA 14 HB2 ALA 14 -5.422 -9.238 -8.681 116 3HB ALA 14 HB3 ALA 14 -3.897 -8.365 -8.836 117 H LEU 15 HN LEU 15 -5.652 -12.139 -9.172 118 HA LEU 15 HA LEU 15 -5.116 -13.435 -6.703 119 1HB LEU 15 HB2 LEU 15 -6.946 -13.936 -9.014 120 2HB LEU 15 HB1 LEU 15 -6.744 -15.182 -7.798 121 HG LEU 15 HG LEU 15 -7.682 -12.366 -7.255 122 1HD1 LEU 15 HD11 LEU 15 -9.304 -14.891 -7.116 123 2HD1 LEU 15 HD12 LEU 15 -9.240 -13.878 -8.557 124 3HD1 LEU 15 HD13 LEU 15 -9.866 -13.221 -7.045 125 1HD2 LEU 15 HD21 LEU 15 -8.329 -13.424 -5.046 126 2HD2 LEU 15 HD22 LEU 15 -6.608 -13.146 -5.308 127 3HD2 LEU 15 HD23 LEU 15 -7.279 -14.767 -5.493 128 H ASP 16 HN ASP 16 -4.259 -14.108 -10.040 129 HA ASP 16 HA ASP 16 -3.350 -16.757 -9.700 130 1HB ASP 16 HB2 ASP 16 -3.769 -15.393 -11.879 131 2HB ASP 16 HB1 ASP 16 -2.109 -14.848 -11.668 132 H ALA 17 HN ALA 17 -1.890 -13.626 -9.168 133 HA ALA 17 HA ALA 17 0.761 -14.629 -8.719 134 1HB ALA 17 HB1 ALA 17 1.190 -12.317 -7.876 135 2HB ALA 17 HB2 ALA 17 -0.516 -11.957 -8.150 136 3HB ALA 17 HB3 ALA 17 0.526 -12.379 -9.509 137 H ALA 18 HN ALA 18 -2.109 -14.261 -6.854 138 HA ALA 18 HA ALA 18 -0.962 -14.079 -4.270 139 1HB ALA 18 HB1 ALA 18 -3.668 -15.026 -5.190 140 2HB ALA 18 HB2 ALA 18 -3.237 -13.440 -4.553 141 3HB ALA 18 HB3 ALA 18 -3.210 -14.852 -3.497 142 H GLY 19 HN GLY 19 -1.849 -16.874 -6.331 143 1HA GLY 19 HA2 GLY 19 -1.321 -19.074 -6.109 144 2HA GLY 19 HA1 GLY 19 0.023 -18.542 -5.110 145 H ASP 20 HN ASP 20 0.051 -19.576 -3.244 146 HA ASP 20 HA ASP 20 -2.450 -20.541 -2.089 147 1HB ASP 20 HB2 ASP 20 -0.544 -22.108 -2.302 148 2HB ASP 20 HB1 ASP 20 0.404 -21.076 -1.235 149 H LYS 21 HN LYS 21 -0.893 -17.711 -1.953 150 HA LYS 21 HA LYS 21 -0.739 -17.294 0.867 151 1HB LYS 21 HB2 LYS 21 -0.650 -15.409 -1.491 152 2HB LYS 21 HB1 LYS 21 -0.462 -14.887 0.178 153 1HG LYS 21 HG2 LYS 21 1.582 -15.989 0.416 154 2HG LYS 21 HG1 LYS 21 1.309 -16.989 -1.012 155 1HD LYS 21 HD2 LYS 21 1.369 -14.859 -2.365 156 2HD LYS 21 HD1 LYS 21 1.939 -14.047 -0.904 157 1HE LYS 21 HE2 LYS 21 3.974 -14.575 -1.712 158 2HE LYS 21 HE1 LYS 21 3.631 -16.145 -0.988 159 1HZ LYS 21 HZ1 LYS 21 3.006 -17.027 -3.057 160 2HZ LYS 21 HZ2 LYS 21 4.422 -16.154 -3.366 161 3HZ LYS 21 HZ3 LYS 21 2.920 -15.505 -3.790 162 H LEU 22 HN LEU 22 -2.168 -15.992 2.105 163 HA LEU 22 HA LEU 22 -4.912 -16.232 1.297 164 1HB LEU 22 HB2 LEU 22 -4.482 -16.597 3.596 165 2HB LEU 22 HB1 LEU 22 -3.542 -15.127 3.739 166 HG LEU 22 HG LEU 22 -5.465 -13.764 3.756 167 1HD1 LEU 22 HD11 LEU 22 -6.614 -15.870 2.182 168 2HD1 LEU 22 HD12 LEU 22 -7.174 -14.214 2.412 169 3HD1 LEU 22 HD13 LEU 22 -7.678 -15.478 3.533 170 1HD2 LEU 22 HD21 LEU 22 -5.145 -14.821 5.865 171 2HD2 LEU 22 HD22 LEU 22 -5.968 -16.284 5.321 172 3HD2 LEU 22 HD23 LEU 22 -6.879 -14.789 5.540 173 H VAL 23 HN VAL 23 -6.241 -14.644 0.550 174 HA VAL 23 HA VAL 23 -4.988 -12.026 0.079 175 HB VAL 23 HB VAL 23 -7.166 -13.209 -1.613 176 1HG1 VAL 23 HG11 VAL 23 -5.659 -10.713 -1.575 177 2HG1 VAL 23 HG12 VAL 23 -7.193 -11.098 -2.349 178 3HG1 VAL 23 HG13 VAL 23 -5.676 -11.501 -3.151 179 1HG2 VAL 23 HG21 VAL 23 -5.020 -13.402 -3.206 180 2HG2 VAL 23 HG22 VAL 23 -5.593 -14.729 -2.196 181 3HG2 VAL 23 HG23 VAL 23 -4.257 -13.718 -1.648 182 H VAL 24 HN VAL 24 -5.775 -10.559 1.396 183 HA VAL 24 HA VAL 24 -8.657 -10.602 1.970 184 HB VAL 24 HB VAL 24 -7.272 -10.671 4.000 185 1HG1 VAL 24 HG11 VAL 24 -6.205 -7.970 3.208 186 2HG1 VAL 24 HG12 VAL 24 -5.314 -9.479 3.004 187 3HG1 VAL 24 HG13 VAL 24 -5.770 -8.935 4.617 188 1HG2 VAL 24 HG21 VAL 24 -8.413 -7.907 3.899 189 2HG2 VAL 24 HG22 VAL 24 -8.465 -9.092 5.204 190 3HG2 VAL 24 HG23 VAL 24 -9.462 -9.319 3.768 191 H VAL 25 HN VAL 25 -9.777 -9.267 0.769 192 HA VAL 25 HA VAL 25 -8.486 -6.793 -0.162 193 HB VAL 25 HB VAL 25 -10.062 -7.038 -2.183 194 1HG1 VAL 25 HG11 VAL 25 -7.837 -9.052 -1.914 195 2HG1 VAL 25 HG12 VAL 25 -7.577 -7.326 -2.167 196 3HG1 VAL 25 HG13 VAL 25 -8.415 -8.282 -3.391 197 1HG2 VAL 25 HG21 VAL 25 -10.933 -9.115 -2.722 198 2HG2 VAL 25 HG22 VAL 25 -11.244 -9.012 -0.988 199 3HG2 VAL 25 HG23 VAL 25 -9.882 -9.961 -1.587 200 H ASP 26 HN ASP 26 -10.093 -5.125 -0.901 201 HA ASP 26 HA ASP 26 -12.525 -5.171 0.746 202 1HB ASP 26 HB2 ASP 26 -10.691 -3.913 1.903 203 2HB ASP 26 HB1 ASP 26 -10.699 -2.775 0.558 204 H PHE 27 HN PHE 27 -14.301 -4.323 -0.140 205 HA PHE 27 HA PHE 27 -14.098 -3.250 -2.872 206 1HB PHE 27 HB2 PHE 27 -16.157 -4.766 -1.360 207 2HB PHE 27 HB1 PHE 27 -16.745 -3.577 -2.519 208 HD1 PHE 27 HD1 PHE 27 -14.629 -6.586 -2.149 209 HD2 PHE 27 HD2 PHE 27 -16.673 -3.992 -4.837 210 HE1 PHE 27 HE1 PHE 27 -14.215 -8.171 -3.987 211 HE2 PHE 27 HE2 PHE 27 -16.267 -5.576 -6.677 212 HZ PHE 27 HZ PHE 27 -15.036 -7.667 -6.254 213 H SER 28 HN SER 28 -13.957 -1.065 -2.883 214 HA SER 28 HA SER 28 -15.584 0.441 -0.940 215 1HB SER 28 HB2 SER 28 -13.156 1.549 -2.335 216 2HB SER 28 HB1 SER 28 -13.933 2.122 -0.859 217 HG SER 28 HG SER 28 -11.909 0.815 -0.684 218 H ALA 29 HN ALA 29 -15.424 2.929 -1.981 219 HA ALA 29 HA ALA 29 -16.295 2.916 -4.745 220 1HB ALA 29 HB1 ALA 29 -18.502 3.265 -4.475 221 2HB ALA 29 HB2 ALA 29 -18.271 4.262 -3.038 222 3HB ALA 29 HB3 ALA 29 -18.249 2.504 -2.904 223 H THR 30 HN THR 30 -16.496 5.079 -5.639 224 HA THR 30 HA THR 30 -14.612 6.910 -4.491 225 HB THR 30 HB THR 30 -16.530 7.357 -6.786 226 HG1 THR 30 HG1 THR 30 -15.257 5.609 -7.287 227 1HG2 THR 30 HG21 THR 30 -14.528 8.804 -7.547 228 2HG2 THR 30 HG22 THR 30 -14.115 8.823 -5.833 229 3HG2 THR 30 HG23 THR 30 -15.672 9.453 -6.372 230 H TRP 31 HN TRP 31 -18.067 6.632 -4.772 231 HA TRP 31 HA TRP 31 -18.611 9.181 -3.496 232 1HB TRP 31 HB2 TRP 31 -20.950 8.616 -3.870 233 2HB TRP 31 HB1 TRP 31 -20.024 8.300 -5.335 234 HD1 TRP 31 HD1 TRP 31 -19.680 5.708 -6.039 235 HE1 TRP 31 HE1 TRP 31 -20.962 3.565 -5.342 236 HE3 TRP 31 HE3 TRP 31 -22.218 7.523 -1.988 237 HZ2 TRP 31 HZ2 TRP 31 -22.799 2.776 -3.387 238 HZ3 TRP 31 HZ3 TRP 31 -23.718 6.008 -0.761 239 HH2 TRP 31 HH2 TRP 31 -23.999 3.683 -1.449 240 H CYS 32 HN CYS 32 -17.399 6.572 -2.128 241 HA CYS 32 HA CYS 32 -19.319 6.301 0.050 242 1HB CYS 32 HB2 CYS 32 -18.097 4.312 -1.023 243 2HB CYS 32 HB1 CYS 32 -16.677 4.868 -0.144 244 H GLY 33 HN GLY 33 -18.598 6.392 2.287 245 1HA GLY 33 HA2 GLY 33 -16.543 8.483 2.660 246 2HA GLY 33 HA1 GLY 33 -17.968 8.313 3.674 247 HA PRO 34 HA PRO 34 -15.964 5.603 6.519 248 1HB PRO 34 HB2 PRO 34 -17.734 3.320 5.872 249 2HB PRO 34 HB1 PRO 34 -17.499 4.157 7.408 250 1HG PRO 34 HG2 PRO 34 -19.737 4.481 5.989 251 2HG PRO 34 HG1 PRO 34 -19.006 5.830 6.878 252 1HD PRO 34 HD2 PRO 34 -18.912 5.218 3.949 253 2HD PRO 34 HD1 PRO 34 -19.098 6.784 4.768 254 H CYS 35 HN CYS 35 -16.520 4.341 3.318 255 HA CYS 35 HA CYS 35 -14.973 2.021 3.397 256 1HB CYS 35 HB2 CYS 35 -15.434 3.923 1.091 257 2HB CYS 35 HB1 CYS 35 -14.785 2.296 0.940 258 H LYS 36 HN LYS 36 -14.042 5.367 2.677 259 HA LYS 36 HA LYS 36 -11.357 4.788 2.022 260 1HB LYS 36 HB2 LYS 36 -12.920 7.234 2.646 261 2HB LYS 36 HB1 LYS 36 -11.174 7.343 2.806 262 1HG LYS 36 HG2 LYS 36 -11.044 7.694 0.626 263 2HG LYS 36 HG1 LYS 36 -11.632 6.052 0.364 264 1HD LYS 36 HD2 LYS 36 -13.029 7.570 -0.864 265 2HD LYS 36 HD1 LYS 36 -13.957 6.928 0.491 266 1HE LYS 36 HE2 LYS 36 -14.416 9.247 0.410 267 2HE LYS 36 HE1 LYS 36 -13.310 9.009 1.763 268 1HZ LYS 36 HZ1 LYS 36 -12.621 10.905 0.499 269 2HZ LYS 36 HZ2 LYS 36 -12.608 10.018 -0.940 270 3HZ LYS 36 HZ3 LYS 36 -11.481 9.675 0.273 271 H MET 37 HN MET 37 -12.985 5.238 5.080 272 HA MET 37 HA MET 37 -10.709 5.850 6.633 273 1HB MET 37 HB2 MET 37 -13.423 4.741 7.304 274 2HB MET 37 HB1 MET 37 -12.192 4.973 8.538 275 1HG MET 37 HG2 MET 37 -12.168 7.307 8.221 276 2HG MET 37 HG1 MET 37 -13.088 7.187 6.721 277 1HE MET 37 HE1 MET 37 -14.444 9.307 9.150 278 2HE MET 37 HE2 MET 37 -15.901 8.862 8.260 279 3HE MET 37 HE3 MET 37 -14.363 9.021 7.411 280 H ILE 38 HN ILE 38 -11.710 2.883 5.211 281 HA ILE 38 HA ILE 38 -10.344 1.217 7.166 282 HB ILE 38 HB ILE 38 -11.413 0.391 4.467 283 1HG1 ILE 38 HG12 ILE 38 -13.133 1.477 5.981 284 2HG1 ILE 38 HG11 ILE 38 -13.491 -0.173 5.483 285 1HG2 ILE 38 HG21 ILE 38 -10.740 -1.179 6.951 286 2HG2 ILE 38 HG22 ILE 38 -9.868 -1.197 5.418 287 3HG2 ILE 38 HG23 ILE 38 -11.506 -1.845 5.508 288 1HD1 ILE 38 HD11 ILE 38 -13.652 0.739 8.018 289 2HD1 ILE 38 HD12 ILE 38 -12.029 0.050 8.011 290 3HD1 ILE 38 HD13 ILE 38 -13.415 -0.951 7.577 291 H LYS 39 HN LYS 39 -9.650 2.842 4.211 292 HA LYS 39 HA LYS 39 -7.663 1.337 3.057 293 1HB LYS 39 HB2 LYS 39 -8.663 3.953 2.807 294 2HB LYS 39 HB1 LYS 39 -6.921 4.116 2.981 295 1HG LYS 39 HG2 LYS 39 -6.489 3.101 0.997 296 2HG LYS 39 HG1 LYS 39 -7.910 2.061 1.092 297 1HD LYS 39 HD2 LYS 39 -9.134 4.425 0.868 298 2HD LYS 39 HD1 LYS 39 -7.631 4.813 0.031 299 1HE LYS 39 HE2 LYS 39 -8.080 2.564 -1.214 300 2HE LYS 39 HE1 LYS 39 -9.740 2.818 -0.676 301 1HZ LYS 39 HZ1 LYS 39 -8.812 3.787 -2.946 302 2HZ LYS 39 HZ2 LYS 39 -8.405 5.082 -1.936 303 3HZ LYS 39 HZ3 LYS 39 -10.014 4.574 -2.050 304 HA PRO 40 HA PRO 40 -4.326 3.797 5.763 305 1HB PRO 40 HB2 PRO 40 -5.481 4.205 8.308 306 2HB PRO 40 HB1 PRO 40 -5.048 5.447 7.128 307 1HG PRO 40 HG2 PRO 40 -7.688 4.188 7.677 308 2HG PRO 40 HG1 PRO 40 -7.313 5.845 7.165 309 1HD PRO 40 HD2 PRO 40 -8.323 4.068 5.447 310 2HD PRO 40 HD1 PRO 40 -7.084 5.232 4.931 311 H PHE 41 HN PHE 41 -6.777 1.891 7.534 312 HA PHE 41 HA PHE 41 -4.781 0.419 8.973 313 1HB PHE 41 HB2 PHE 41 -7.689 -0.329 8.705 314 2HB PHE 41 HB1 PHE 41 -6.589 -0.698 10.029 315 HD1 PHE 41 HD1 PHE 41 -5.438 1.639 10.938 316 HD2 PHE 41 HD2 PHE 41 -9.315 1.176 9.250 317 HE1 PHE 41 HE1 PHE 41 -6.189 3.658 12.122 318 HE2 PHE 41 HE2 PHE 41 -10.075 3.196 10.430 319 HZ PHE 41 HZ PHE 41 -8.510 4.440 11.868 320 H PHE 42 HN PHE 42 -6.728 -0.196 6.080 321 HA PHE 42 HA PHE 42 -6.207 -2.975 5.945 322 1HB PHE 42 HB2 PHE 42 -7.904 -1.423 4.626 323 2HB PHE 42 HB1 PHE 42 -6.593 -1.373 3.454 324 HD1 PHE 42 HD1 PHE 42 -8.723 -3.738 5.373 325 HD2 PHE 42 HD2 PHE 42 -6.350 -3.083 1.899 326 HE1 PHE 42 HE1 PHE 42 -9.481 -5.891 4.452 327 HE2 PHE 42 HE2 PHE 42 -7.108 -5.233 0.972 328 HZ PHE 42 HZ PHE 42 -8.676 -6.639 2.248 329 H HIS 43 HN HIS 43 -4.632 -0.156 4.479 330 HA HIS 43 HA HIS 43 -2.683 -1.623 3.058 331 1HB HIS 43 HB2 HIS 43 -3.449 1.042 3.221 332 2HB HIS 43 HB1 HIS 43 -1.799 1.037 3.837 333 HD1 HIS 43 HD1 HIS 43 -3.736 0.829 0.705 334 HD2 HIS 43 HD2 HIS 43 0.130 0.009 1.980 335 HE1 HIS 43 HE1 HIS 43 -2.325 0.625 -1.385 336 H SER 44 HN SER 44 -2.650 -0.145 6.298 337 HA SER 44 HA SER 44 0.069 -0.513 6.834 338 1HB SER 44 HB2 SER 44 -2.246 0.322 8.275 339 2HB SER 44 HB1 SER 44 -1.406 -0.884 9.251 340 HG SER 44 HG SER 44 -0.335 1.508 8.165 341 H LEU 45 HN LEU 45 -2.697 -2.670 7.383 342 HA LEU 45 HA LEU 45 -1.316 -4.704 8.723 343 1HB LEU 45 HB2 LEU 45 -3.734 -4.815 6.917 344 2HB LEU 45 HB1 LEU 45 -3.156 -6.191 7.837 345 HG LEU 45 HG LEU 45 -3.835 -3.627 9.233 346 1HD1 LEU 45 HD11 LEU 45 -5.714 -5.638 8.088 347 2HD1 LEU 45 HD12 LEU 45 -5.867 -3.884 8.196 348 3HD1 LEU 45 HD13 LEU 45 -6.091 -4.880 9.635 349 1HD2 LEU 45 HD21 LEU 45 -3.303 -6.438 9.949 350 2HD2 LEU 45 HD22 LEU 45 -4.589 -5.634 10.850 351 3HD2 LEU 45 HD23 LEU 45 -2.962 -4.953 10.838 352 H SER 46 HN SER 46 -1.779 -4.051 5.288 353 HA SER 46 HA SER 46 -0.740 -6.389 4.207 354 1HB SER 46 HB2 SER 46 -1.880 -4.589 2.916 355 2HB SER 46 HB1 SER 46 -0.437 -3.593 3.090 356 HG SER 46 HG SER 46 0.710 -5.079 1.880 357 H GLU 47 HN GLU 47 0.921 -3.657 5.666 358 HA GLU 47 HA GLU 47 3.487 -4.517 4.637 359 1HB GLU 47 HB2 GLU 47 2.752 -2.294 6.548 360 2HB GLU 47 HB1 GLU 47 4.377 -2.606 5.950 361 1HG GLU 47 HG2 GLU 47 2.171 -2.201 3.993 362 2HG GLU 47 HG1 GLU 47 2.850 -0.805 4.827 363 H LYS 48 HN LYS 48 1.537 -5.137 7.381 364 HA LYS 48 HA LYS 48 3.830 -6.019 8.973 365 1HB LYS 48 HB2 LYS 48 2.054 -4.746 10.115 366 2HB LYS 48 HB1 LYS 48 0.881 -5.971 9.655 367 1HG LYS 48 HG2 LYS 48 2.289 -7.624 10.948 368 2HG LYS 48 HG1 LYS 48 3.172 -6.233 11.579 369 1HD LYS 48 HD2 LYS 48 1.496 -5.641 12.958 370 2HD LYS 48 HD1 LYS 48 0.252 -6.007 11.760 371 1HE LYS 48 HE2 LYS 48 -0.166 -7.594 13.383 372 2HE LYS 48 HE1 LYS 48 0.868 -8.482 12.263 373 1HZ LYS 48 HZ1 LYS 48 1.416 -8.672 14.704 374 2HZ LYS 48 HZ2 LYS 48 1.951 -7.070 14.629 375 3HZ LYS 48 HZ3 LYS 48 2.702 -8.255 13.685 376 H TYR 49 HN TYR 49 1.404 -7.202 6.868 377 HA TYR 49 HA TYR 49 1.778 -9.980 7.745 378 1HB TYR 49 HB2 TYR 49 -0.266 -8.548 6.093 379 2HB TYR 49 HB1 TYR 49 -0.004 -10.264 5.808 380 HD1 TYR 49 HD1 TYR 49 -0.793 -11.907 7.356 381 HD2 TYR 49 HD2 TYR 49 -1.077 -7.768 8.298 382 HE1 TYR 49 HE1 TYR 49 -2.279 -12.443 9.241 383 HE2 TYR 49 HE2 TYR 49 -2.562 -8.292 10.186 384 HH TYR 49 HH TYR 49 -4.219 -10.913 10.545 385 H SER 50 HN SER 50 3.874 -10.368 6.914 386 HA SER 50 HA SER 50 4.363 -9.914 4.086 387 1HB SER 50 HB2 SER 50 6.066 -10.972 6.341 388 2HB SER 50 HB1 SER 50 6.606 -11.012 4.662 389 HG SER 50 HG SER 50 6.282 -8.855 6.381 390 H ASN 51 HN ASN 51 2.272 -11.532 4.197 391 HA ASN 51 HA ASN 51 3.269 -13.969 3.026 392 1HB ASN 51 HB2 ASN 51 3.067 -14.449 5.494 393 2HB ASN 51 HB1 ASN 51 1.334 -14.175 5.336 394 1HD2 ASN 51 HD21 ASN 51 2.898 -16.580 6.053 395 2HD2 ASN 51 HD22 ASN 51 2.373 -17.807 4.957 396 H VAL 52 HN VAL 52 0.465 -12.093 4.080 397 HA VAL 52 HA VAL 52 -1.212 -13.270 2.006 398 HB VAL 52 HB VAL 52 -3.054 -12.139 3.043 399 1HG1 VAL 52 HG11 VAL 52 -1.883 -14.155 4.171 400 2HG1 VAL 52 HG12 VAL 52 -3.128 -13.271 5.056 401 3HG1 VAL 52 HG13 VAL 52 -1.424 -12.977 5.399 402 1HG2 VAL 52 HG21 VAL 52 -0.966 -10.377 4.055 403 2HG2 VAL 52 HG22 VAL 52 -2.141 -10.838 5.288 404 3HG2 VAL 52 HG23 VAL 52 -2.683 -10.070 3.796 405 H ILE 53 HN ILE 53 -2.382 -11.998 0.486 406 HA ILE 53 HA ILE 53 -0.910 -9.589 -0.311 407 HB ILE 53 HB ILE 53 -1.190 -11.630 -1.874 408 1HG1 ILE 53 HG12 ILE 53 -1.599 -9.971 -3.838 409 2HG1 ILE 53 HG11 ILE 53 -1.613 -8.751 -2.569 410 1HG2 ILE 53 HG21 ILE 53 -3.141 -11.803 -3.187 411 2HG2 ILE 53 HG22 ILE 53 -3.823 -10.329 -2.502 412 3HG2 ILE 53 HG23 ILE 53 -3.674 -11.776 -1.507 413 1HD1 ILE 53 HD11 ILE 53 0.587 -9.096 -3.697 414 2HD1 ILE 53 HD12 ILE 53 0.636 -10.700 -2.967 415 3HD1 ILE 53 HD13 ILE 53 0.615 -9.265 -1.943 416 H PHE 54 HN PHE 54 -1.772 -7.749 0.229 417 HA PHE 54 HA PHE 54 -4.669 -7.494 0.616 418 1HB PHE 54 HB2 PHE 54 -2.246 -5.948 1.455 419 2HB PHE 54 HB1 PHE 54 -3.755 -5.090 1.298 420 HD1 PHE 54 HD1 PHE 54 -2.538 -8.274 2.913 421 HD2 PHE 54 HD2 PHE 54 -4.916 -4.747 3.183 422 HE1 PHE 54 HE1 PHE 54 -3.143 -8.847 5.232 423 HE2 PHE 54 HE2 PHE 54 -5.527 -5.327 5.491 424 HZ PHE 54 HZ PHE 54 -4.638 -7.377 6.519 425 H LEU 55 HN LEU 55 -5.802 -6.805 -1.185 426 HA LEU 55 HA LEU 55 -4.501 -4.734 -2.778 427 1HB LEU 55 HB2 LEU 55 -4.711 -5.736 -4.732 428 2HB LEU 55 HB1 LEU 55 -4.735 -7.204 -3.776 429 HG LEU 55 HG LEU 55 -7.412 -6.506 -3.946 430 1HD1 LEU 55 HD11 LEU 55 -6.982 -4.788 -5.581 431 2HD1 LEU 55 HD12 LEU 55 -7.749 -6.160 -6.379 432 3HD1 LEU 55 HD13 LEU 55 -6.015 -5.902 -6.546 433 1HD2 LEU 55 HD21 LEU 55 -7.495 -8.377 -5.591 434 2HD2 LEU 55 HD22 LEU 55 -6.574 -8.751 -4.133 435 3HD2 LEU 55 HD23 LEU 55 -5.732 -8.358 -5.631 436 H GLU 56 HN GLU 56 -6.078 -3.563 -4.213 437 HA GLU 56 HA GLU 56 -8.508 -3.064 -2.627 438 1HB GLU 56 HB2 GLU 56 -6.387 -1.444 -3.021 439 2HB GLU 56 HB1 GLU 56 -7.414 -0.957 -4.359 440 1HG GLU 56 HG2 GLU 56 -7.920 0.504 -2.591 441 2HG GLU 56 HG1 GLU 56 -9.259 -0.639 -2.663 442 H VAL 57 HN VAL 57 -10.357 -3.488 -3.640 443 HA VAL 57 HA VAL 57 -10.426 -3.178 -6.572 444 HB VAL 57 HB VAL 57 -12.464 -4.835 -5.136 445 1HG1 VAL 57 HG11 VAL 57 -13.036 -4.499 -7.349 446 2HG1 VAL 57 HG12 VAL 57 -12.186 -6.045 -7.413 447 3HG1 VAL 57 HG13 VAL 57 -11.360 -4.564 -7.897 448 1HG2 VAL 57 HG21 VAL 57 -11.162 -6.817 -5.287 449 2HG2 VAL 57 HG22 VAL 57 -10.164 -5.627 -4.450 450 3HG2 VAL 57 HG23 VAL 57 -9.870 -5.985 -6.152 451 H ASP 58 HN ASP 58 -11.511 -1.489 -7.213 452 HA ASP 58 HA ASP 58 -13.529 -0.313 -5.448 453 1HB ASP 58 HB2 ASP 58 -11.746 1.168 -6.283 454 2HB ASP 58 HB1 ASP 58 -12.204 0.786 -7.940 455 H VAL 59 HN VAL 59 -15.591 -0.787 -5.817 456 HA VAL 59 HA VAL 59 -16.449 -2.381 -7.932 457 HB VAL 59 HB VAL 59 -17.654 -2.185 -5.787 458 1HG1 VAL 59 HG11 VAL 59 -19.111 0.227 -6.665 459 2HG1 VAL 59 HG12 VAL 59 -17.468 0.477 -6.072 460 3HG1 VAL 59 HG13 VAL 59 -18.668 -0.306 -5.044 461 1HG2 VAL 59 HG21 VAL 59 -18.751 -3.143 -7.763 462 2HG2 VAL 59 HG22 VAL 59 -19.358 -1.544 -8.193 463 3HG2 VAL 59 HG23 VAL 59 -19.901 -2.324 -6.707 464 H ASP 60 HN ASP 60 -15.910 1.007 -7.870 465 HA ASP 60 HA ASP 60 -17.782 1.776 -9.848 466 1HB ASP 60 HB2 ASP 60 -16.199 3.198 -8.240 467 2HB ASP 60 HB1 ASP 60 -15.161 3.188 -9.664 468 H ASP 61 HN ASP 61 -14.508 0.527 -9.946 469 HA ASP 61 HA ASP 61 -14.533 0.556 -12.883 470 1HB ASP 61 HB2 ASP 61 -12.344 0.176 -10.845 471 2HB ASP 61 HB1 ASP 61 -12.110 -0.244 -12.538 472 H ALA 62 HN ALA 62 -14.416 -1.554 -10.098 473 HA ALA 62 HA ALA 62 -14.297 -3.940 -11.768 474 1HB ALA 62 HB1 ALA 62 -13.151 -3.372 -9.375 475 2HB ALA 62 HB2 ALA 62 -13.438 -5.005 -9.979 476 3HB ALA 62 HB3 ALA 62 -14.584 -4.262 -8.862 477 H GLN 63 HN GLN 63 -16.592 -2.545 -12.210 478 HA GLN 63 HA GLN 63 -18.757 -3.364 -10.548 479 1HB GLN 63 HB2 GLN 63 -20.182 -2.489 -12.376 480 2HB GLN 63 HB1 GLN 63 -18.945 -1.348 -11.867 481 1HG GLN 63 HG2 GLN 63 -17.609 -1.849 -13.795 482 2HG GLN 63 HG1 GLN 63 -18.710 -3.140 -14.271 483 1HE2 GLN 63 HE21 GLN 63 -21.092 -2.275 -14.363 484 2HE2 GLN 63 HE22 GLN 63 -21.288 -0.830 -15.291 485 H ASP 64 HN ASP 64 -16.927 -5.037 -12.844 486 HA ASP 64 HA ASP 64 -19.118 -6.789 -13.641 487 1HB ASP 64 HB2 ASP 64 -16.419 -6.202 -14.647 488 2HB ASP 64 HB1 ASP 64 -16.860 -7.907 -14.715 489 H VAL 65 HN VAL 65 -16.513 -6.679 -11.359 490 HA VAL 65 HA VAL 65 -16.448 -9.530 -10.972 491 HB VAL 65 HB VAL 65 -15.125 -8.891 -8.852 492 1HG1 VAL 65 HG11 VAL 65 -13.149 -8.174 -10.438 493 2HG1 VAL 65 HG12 VAL 65 -14.311 -8.596 -11.696 494 3HG1 VAL 65 HG13 VAL 65 -13.831 -9.799 -10.500 495 1HG2 VAL 65 HG21 VAL 65 -14.119 -6.709 -8.817 496 2HG2 VAL 65 HG22 VAL 65 -15.871 -6.526 -8.805 497 3HG2 VAL 65 HG23 VAL 65 -14.965 -6.248 -10.292 498 H ALA 66 HN ALA 66 -17.760 -6.745 -9.104 499 HA ALA 66 HA ALA 66 -18.703 -8.052 -6.902 500 1HB ALA 66 HB1 ALA 66 -20.665 -6.299 -7.185 501 2HB ALA 66 HB2 ALA 66 -19.598 -5.682 -8.446 502 3HB ALA 66 HB3 ALA 66 -19.022 -5.798 -6.783 503 HA PRO 67 HA PRO 67 -23.036 -8.858 -9.135 504 1HB PRO 67 HB2 PRO 67 -22.585 -9.200 -11.885 505 2HB PRO 67 HB1 PRO 67 -23.381 -7.819 -11.122 506 1HG PRO 67 HG2 PRO 67 -20.539 -8.121 -11.991 507 2HG PRO 67 HG1 PRO 67 -21.598 -6.704 -12.094 508 1HD PRO 67 HD2 PRO 67 -19.712 -6.848 -10.236 509 2HD PRO 67 HD1 PRO 67 -21.318 -6.198 -9.833 510 H LYS 68 HN LYS 68 -19.937 -10.064 -10.211 511 HA LYS 68 HA LYS 68 -20.883 -12.727 -10.784 512 1HB LYS 68 HB2 LYS 68 -18.148 -11.480 -10.603 513 2HB LYS 68 HB1 LYS 68 -18.361 -13.211 -10.815 514 1HG LYS 68 HG2 LYS 68 -19.606 -12.804 -12.882 515 2HG LYS 68 HG1 LYS 68 -19.376 -11.067 -12.670 516 1HD LYS 68 HD2 LYS 68 -17.578 -11.409 -13.990 517 2HD LYS 68 HD1 LYS 68 -16.821 -11.925 -12.481 518 1HE LYS 68 HE2 LYS 68 -16.314 -13.701 -13.841 519 2HE LYS 68 HE1 LYS 68 -17.830 -14.255 -13.131 520 1HZ LYS 68 HZ1 LYS 68 -18.816 -13.056 -15.225 521 2HZ LYS 68 HZ2 LYS 68 -18.230 -14.640 -15.326 522 3HZ LYS 68 HZ3 LYS 68 -17.275 -13.351 -15.862 523 H TYR 69 HN TYR 69 -19.765 -10.991 -8.005 524 HA TYR 69 HA TYR 69 -19.420 -13.481 -6.464 525 1HB TYR 69 HB2 TYR 69 -18.460 -10.652 -6.086 526 2HB TYR 69 HB1 TYR 69 -18.474 -11.802 -4.757 527 HD1 TYR 69 HD1 TYR 69 -17.446 -14.233 -5.632 528 HD2 TYR 69 HD2 TYR 69 -16.398 -10.358 -7.043 529 HE1 TYR 69 HE1 TYR 69 -15.274 -15.100 -6.391 530 HE2 TYR 69 HE2 TYR 69 -14.224 -11.214 -7.805 531 HH TYR 69 HH TYR 69 -13.527 -14.528 -8.025 532 H GLY 70 HN GLY 70 -21.739 -11.244 -7.145 533 1HA GLY 70 HA2 GLY 70 -23.784 -10.774 -6.221 534 2HA GLY 70 HA1 GLY 70 -23.496 -12.111 -5.123 535 H ILE 71 HN ILE 71 -21.457 -9.224 -5.331 536 HA ILE 71 HA ILE 71 -21.801 -8.763 -2.509 537 HB ILE 71 HB ILE 71 -20.323 -7.108 -4.567 538 1HG1 ILE 71 HG12 ILE 71 -19.207 -9.037 -2.521 539 2HG1 ILE 71 HG11 ILE 71 -19.473 -9.454 -4.208 540 1HG2 ILE 71 HG21 ILE 71 -19.116 -6.436 -2.319 541 2HG2 ILE 71 HG22 ILE 71 -20.685 -6.850 -1.627 542 3HG2 ILE 71 HG23 ILE 71 -20.570 -5.600 -2.867 543 1HD1 ILE 71 HD11 ILE 71 -17.330 -8.850 -4.424 544 2HD1 ILE 71 HD12 ILE 71 -17.356 -7.852 -2.969 545 3HD1 ILE 71 HD13 ILE 71 -17.995 -7.218 -4.484 546 H ARG 72 HN ARG 72 -23.086 -7.287 -1.532 547 HA ARG 72 HA ARG 72 -24.341 -5.170 -3.117 548 1HB ARG 72 HB2 ARG 72 -25.862 -7.137 -3.188 549 2HB ARG 72 HB1 ARG 72 -25.951 -7.094 -1.433 550 1HG ARG 72 HG2 ARG 72 -27.378 -5.357 -1.412 551 2HG ARG 72 HG1 ARG 72 -26.606 -4.568 -2.789 552 1HD ARG 72 HD2 ARG 72 -28.819 -5.238 -3.432 553 2HD ARG 72 HD1 ARG 72 -27.654 -6.258 -4.275 554 HE ARG 72 HE ARG 72 -28.480 -8.074 -3.152 555 1HH1 ARG 72 HH11 ARG 72 -29.598 -5.170 -1.568 556 2HH1 ARG 72 HH12 ARG 72 -30.698 -6.011 -0.531 557 1HH2 ARG 72 HH21 ARG 72 -29.928 -9.181 -1.788 558 2HH2 ARG 72 HH22 ARG 72 -30.886 -8.288 -0.654 559 H GLY 73 HN GLY 73 -22.570 -4.276 -1.606 560 1HA GLY 73 HA2 GLY 73 -23.723 -2.621 0.289 561 2HA GLY 73 HA1 GLY 73 -23.145 -4.023 1.172 562 H ILE 74 HN ILE 74 -22.157 -1.460 1.649 563 HA ILE 74 HA ILE 74 -19.353 -1.892 0.998 564 HB ILE 74 HB ILE 74 -19.075 0.555 0.439 565 1HG1 ILE 74 HG12 ILE 74 -22.043 0.425 -0.122 566 2HG1 ILE 74 HG11 ILE 74 -21.357 1.201 1.303 567 1HG2 ILE 74 HG21 ILE 74 -19.871 0.246 -1.924 568 2HG2 ILE 74 HG22 ILE 74 -20.604 -1.272 -1.401 569 3HG2 ILE 74 HG23 ILE 74 -18.857 -1.054 -1.297 570 1HD1 ILE 74 HD11 ILE 74 -21.664 2.215 -1.363 571 2HD1 ILE 74 HD12 ILE 74 -19.973 2.278 -0.867 572 3HD1 ILE 74 HD13 ILE 74 -21.210 3.061 0.116 573 HA PRO 75 HA PRO 75 -17.499 -1.166 1.447 574 1HB PRO 75 HB2 PRO 75 -15.472 -1.380 3.164 575 2HB PRO 75 HB1 PRO 75 -16.077 0.208 2.681 576 1HG PRO 75 HG2 PRO 75 -16.542 -1.309 5.208 577 2HG PRO 75 HG1 PRO 75 -16.311 0.432 4.968 578 1HD PRO 75 HD2 PRO 75 -18.765 -0.864 5.284 579 2HD PRO 75 HD1 PRO 75 -18.532 0.773 4.644 580 H THR 76 HN THR 76 -17.479 -3.259 0.758 581 HA THR 76 HA THR 76 -17.903 -5.395 2.669 582 HB THR 76 HB THR 76 -17.338 -6.188 -0.093 583 HG1 THR 76 HG1 THR 76 -18.290 -4.361 -0.763 584 1HG2 THR 76 HG21 THR 76 -19.336 -7.443 0.089 585 2HG2 THR 76 HG22 THR 76 -19.869 -6.515 1.490 586 3HG2 THR 76 HG23 THR 76 -18.481 -7.594 1.624 587 H LEU 77 HN LEU 77 -16.405 -6.816 3.352 588 HA LEU 77 HA LEU 77 -13.672 -6.488 2.316 589 1HB LEU 77 HB2 LEU 77 -14.693 -6.600 4.974 590 2HB LEU 77 HB1 LEU 77 -13.763 -8.063 4.716 591 HG LEU 77 HG LEU 77 -11.920 -6.434 3.848 592 1HD1 LEU 77 HD11 LEU 77 -11.983 -4.236 4.522 593 2HD1 LEU 77 HD12 LEU 77 -13.182 -4.543 5.779 594 3HD1 LEU 77 HD13 LEU 77 -13.669 -4.511 4.084 595 1HD2 LEU 77 HD21 LEU 77 -11.443 -5.980 6.435 596 2HD2 LEU 77 HD22 LEU 77 -11.248 -7.569 5.694 597 3HD2 LEU 77 HD23 LEU 77 -12.716 -7.190 6.596 598 H LEU 78 HN LEU 78 -12.912 -8.085 1.099 599 HA LEU 78 HA LEU 78 -14.319 -10.668 1.223 600 1HB LEU 78 HB2 LEU 78 -13.222 -9.072 -1.046 601 2HB LEU 78 HB1 LEU 78 -13.244 -10.815 -1.193 602 HG LEU 78 HG LEU 78 -15.565 -8.906 -1.044 603 1HD1 LEU 78 HD11 LEU 78 -15.680 -11.174 -2.854 604 2HD1 LEU 78 HD12 LEU 78 -14.265 -10.156 -3.121 605 3HD1 LEU 78 HD13 LEU 78 -15.880 -9.451 -3.174 606 1HD2 LEU 78 HD21 LEU 78 -16.998 -11.009 -0.968 607 2HD2 LEU 78 HD22 LEU 78 -16.270 -10.478 0.548 608 3HD2 LEU 78 HD23 LEU 78 -15.567 -11.827 -0.345 609 H LEU 79 HN LEU 79 -13.210 -12.505 1.473 610 HA LEU 79 HA LEU 79 -10.271 -12.336 1.594 611 1HB LEU 79 HB2 LEU 79 -12.278 -13.709 3.319 612 2HB LEU 79 HB1 LEU 79 -10.744 -14.513 3.066 613 HG LEU 79 HG LEU 79 -10.938 -13.123 5.160 614 1HD1 LEU 79 HD11 LEU 79 -8.699 -12.607 5.152 615 2HD1 LEU 79 HD12 LEU 79 -8.718 -12.063 3.474 616 3HD1 LEU 79 HD13 LEU 79 -8.798 -13.786 3.844 617 1HD2 LEU 79 HD21 LEU 79 -12.158 -11.244 4.104 618 2HD2 LEU 79 HD22 LEU 79 -10.680 -10.814 3.243 619 3HD2 LEU 79 HD23 LEU 79 -10.729 -10.739 5.004 620 H PHE 80 HN PHE 80 -9.279 -13.455 0.050 621 HA PHE 80 HA PHE 80 -10.742 -15.673 -1.212 622 1HB PHE 80 HB2 PHE 80 -8.826 -13.631 -2.277 623 2HB PHE 80 HB1 PHE 80 -9.031 -15.159 -3.116 624 HD1 PHE 80 HD1 PHE 80 -10.555 -11.990 -2.209 625 HD2 PHE 80 HD2 PHE 80 -11.157 -15.706 -4.197 626 HE1 PHE 80 HE1 PHE 80 -12.564 -11.079 -3.292 627 HE2 PHE 80 HE2 PHE 80 -13.170 -14.797 -5.288 628 HZ PHE 80 HZ PHE 80 -13.876 -12.480 -4.834 629 H LYS 81 HN LYS 81 -9.714 -17.593 -1.637 630 HA LYS 81 HA LYS 81 -6.969 -17.982 -0.731 631 1HB LYS 81 HB2 LYS 81 -8.938 -18.448 1.047 632 2HB LYS 81 HB1 LYS 81 -8.934 -19.997 0.221 633 1HG LYS 81 HG2 LYS 81 -7.021 -20.638 1.181 634 2HG LYS 81 HG1 LYS 81 -6.272 -19.050 0.978 635 1HD LYS 81 HD2 LYS 81 -7.798 -18.279 2.876 636 2HD LYS 81 HD1 LYS 81 -8.103 -19.990 3.172 637 1HE LYS 81 HE2 LYS 81 -5.406 -18.637 3.202 638 2HE LYS 81 HE1 LYS 81 -6.329 -19.138 4.620 639 1HZ LYS 81 HZ1 LYS 81 -5.843 -21.313 4.284 640 2HZ LYS 81 HZ2 LYS 81 -4.457 -20.644 3.581 641 3HZ LYS 81 HZ3 LYS 81 -5.733 -21.167 2.602 642 H ASN 82 HN ASN 82 -6.064 -18.853 -2.502 643 HA ASN 82 HA ASN 82 -5.687 -20.224 -4.283 644 1HB ASN 82 HB2 ASN 82 -7.845 -22.050 -3.239 645 2HB ASN 82 HB1 ASN 82 -6.410 -22.473 -4.168 646 1HD2 ASN 82 HD21 ASN 82 -4.353 -21.471 -2.936 647 2HD2 ASN 82 HD22 ASN 82 -4.239 -21.995 -1.294 648 H GLY 83 HN GLY 83 -7.276 -18.098 -4.770 649 1HA GLY 83 HA2 GLY 83 -8.583 -17.287 -6.472 650 2HA GLY 83 HA1 GLY 83 -8.670 -18.919 -7.105 651 H GLU 84 HN GLU 84 -9.738 -19.029 -3.948 652 HA GLU 84 HA GLU 84 -12.521 -18.581 -4.805 653 1HB GLU 84 HB2 GLU 84 -11.541 -21.028 -4.351 654 2HB GLU 84 HB1 GLU 84 -11.973 -20.601 -2.701 655 1HG GLU 84 HG2 GLU 84 -14.265 -20.006 -3.617 656 2HG GLU 84 HG1 GLU 84 -13.765 -20.829 -5.094 657 H VAL 85 HN VAL 85 -13.829 -17.489 -3.488 658 HA VAL 85 HA VAL 85 -12.721 -15.925 -1.390 659 HB VAL 85 HB VAL 85 -14.605 -15.107 -2.703 660 1HG1 VAL 85 HG11 VAL 85 -16.689 -16.065 -2.813 661 2HG1 VAL 85 HG12 VAL 85 -16.503 -16.911 -1.277 662 3HG1 VAL 85 HG13 VAL 85 -15.667 -17.498 -2.714 663 1HG2 VAL 85 HG21 VAL 85 -15.782 -14.059 -0.957 664 2HG2 VAL 85 HG22 VAL 85 -14.185 -14.411 -0.296 665 3HG2 VAL 85 HG23 VAL 85 -15.559 -15.432 0.127 666 H ALA 86 HN ALA 86 -12.264 -16.640 0.638 667 HA ALA 86 HA ALA 86 -13.804 -18.915 1.659 668 1HB ALA 86 HB1 ALA 86 -11.684 -18.790 3.340 669 2HB ALA 86 HB2 ALA 86 -10.976 -18.177 1.844 670 3HB ALA 86 HB3 ALA 86 -11.740 -19.766 1.871 671 H ALA 87 HN ALA 87 -14.169 -15.831 1.859 672 HA ALA 87 HA ALA 87 -15.552 -15.871 4.305 673 1HB ALA 87 HB1 ALA 87 -13.977 -15.417 5.795 674 2HB ALA 87 HB2 ALA 87 -13.773 -13.844 5.025 675 3HB ALA 87 HB3 ALA 87 -12.766 -15.205 4.531 676 H THR 88 HN THR 88 -16.881 -14.099 4.574 677 HA THR 88 HA THR 88 -16.540 -11.867 2.704 678 HB THR 88 HB THR 88 -18.129 -13.112 1.513 679 HG1 THR 88 HG1 THR 88 -19.657 -11.670 1.454 680 1HG2 THR 88 HG21 THR 88 -18.751 -14.883 2.899 681 2HG2 THR 88 HG22 THR 88 -20.238 -13.968 2.643 682 3HG2 THR 88 HG23 THR 88 -19.351 -13.804 4.158 683 H LYS 89 HN LYS 89 -16.555 -9.998 3.809 684 HA LYS 89 HA LYS 89 -18.196 -9.853 6.245 685 1HB LYS 89 HB2 LYS 89 -15.429 -9.667 6.100 686 2HB LYS 89 HB1 LYS 89 -15.953 -7.989 6.148 687 1HG LYS 89 HG2 LYS 89 -15.494 -8.844 8.376 688 2HG LYS 89 HG1 LYS 89 -17.196 -8.416 8.191 689 1HD LYS 89 HD2 LYS 89 -17.895 -10.597 8.267 690 2HD LYS 89 HD1 LYS 89 -16.371 -11.218 7.628 691 1HE LYS 89 HE2 LYS 89 -15.276 -10.889 9.724 692 2HE LYS 89 HE1 LYS 89 -16.659 -10.010 10.371 693 1HZ LYS 89 HZ1 LYS 89 -16.754 -12.176 11.254 694 2HZ LYS 89 HZ2 LYS 89 -16.483 -12.901 9.751 695 3HZ LYS 89 HZ3 LYS 89 -17.950 -12.120 10.059 696 H VAL 90 HN VAL 90 -19.451 -8.061 6.492 697 HA VAL 90 HA VAL 90 -19.338 -6.063 4.332 698 HB VAL 90 HB VAL 90 -21.849 -6.954 5.745 699 1HG1 VAL 90 HG11 VAL 90 -22.633 -5.880 3.404 700 2HG1 VAL 90 HG12 VAL 90 -21.185 -4.922 3.716 701 3HG1 VAL 90 HG13 VAL 90 -22.490 -4.961 4.901 702 1HG2 VAL 90 HG21 VAL 90 -22.340 -8.031 3.489 703 2HG2 VAL 90 HG22 VAL 90 -21.167 -8.849 4.523 704 3HG2 VAL 90 HG23 VAL 90 -20.614 -7.873 3.163 705 H GLY 91 HN GLY 91 -19.722 -3.893 4.853 706 1HA GLY 91 HA2 GLY 91 -20.055 -2.063 6.222 707 2HA GLY 91 HA1 GLY 91 -20.386 -3.151 7.558 708 H ALA 92 HN ALA 92 -18.847 -0.823 7.778 709 HA ALA 92 HA ALA 92 -16.068 -1.341 7.612 710 1HB ALA 92 HB1 ALA 92 -17.764 0.765 8.853 711 2HB ALA 92 HB2 ALA 92 -16.467 0.907 7.665 712 3HB ALA 92 HB3 ALA 92 -16.081 0.635 9.364 713 H LEU 93 HN LEU 93 -14.593 -1.938 9.158 714 HA LEU 93 HA LEU 93 -15.675 -2.952 11.700 715 1HB LEU 93 HB2 LEU 93 -13.483 -4.536 11.252 716 2HB LEU 93 HB1 LEU 93 -15.148 -5.002 10.971 717 HG LEU 93 HG LEU 93 -13.625 -3.661 8.773 718 1HD1 LEU 93 HD11 LEU 93 -12.623 -5.659 8.052 719 2HD1 LEU 93 HD12 LEU 93 -13.516 -6.628 9.222 720 3HD1 LEU 93 HD13 LEU 93 -12.239 -5.539 9.768 721 1HD2 LEU 93 HD21 LEU 93 -15.472 -5.958 8.422 722 2HD2 LEU 93 HD22 LEU 93 -15.230 -4.533 7.411 723 3HD2 LEU 93 HD23 LEU 93 -16.166 -4.410 8.900 724 H SER 94 HN SER 94 -13.389 -3.660 12.989 725 HA SER 94 HA SER 94 -11.951 -1.100 13.173 726 1HB SER 94 HB2 SER 94 -13.089 -1.541 15.232 727 2HB SER 94 HB1 SER 94 -12.515 -3.207 15.261 728 HG SER 94 HG SER 94 -10.824 -2.508 16.273 729 H LYS 95 HN LYS 95 -9.671 -1.295 13.992 730 HA LYS 95 HA LYS 95 -8.122 -2.790 12.222 731 1HB LYS 95 HB2 LYS 95 -7.306 -0.782 13.386 732 2HB LYS 95 HB1 LYS 95 -7.312 -1.662 14.908 733 1HG LYS 95 HG2 LYS 95 -5.254 -2.370 14.519 734 2HG LYS 95 HG1 LYS 95 -5.798 -3.169 13.043 735 1HD LYS 95 HD2 LYS 95 -5.547 -0.975 11.864 736 2HD LYS 95 HD1 LYS 95 -4.813 -0.333 13.334 737 1HE LYS 95 HE2 LYS 95 -3.657 -2.862 12.404 738 2HE LYS 95 HE1 LYS 95 -3.453 -1.516 11.283 739 1HZ LYS 95 HZ1 LYS 95 -2.765 -1.315 14.158 740 2HZ LYS 95 HZ2 LYS 95 -2.322 -0.267 12.907 741 3HZ LYS 95 HZ3 LYS 95 -1.651 -1.818 12.987 742 H GLY 96 HN GLY 96 -9.171 -3.521 15.517 743 1HA GLY 96 HA2 GLY 96 -7.568 -5.888 15.696 744 2HA GLY 96 HA1 GLY 96 -8.816 -5.392 16.822 745 H GLN 97 HN GLN 97 -10.835 -5.184 14.661 746 HA GLN 97 HA GLN 97 -11.672 -7.931 14.727 747 1HB GLN 97 HB2 GLN 97 -12.964 -5.682 13.182 748 2HB GLN 97 HB1 GLN 97 -13.705 -7.185 13.718 749 1HG GLN 97 HG2 GLN 97 -13.823 -6.497 15.923 750 2HG GLN 97 HG1 GLN 97 -12.581 -5.266 15.708 751 1HE2 GLN 97 HE21 GLN 97 -14.455 -4.201 16.942 752 2HE2 GLN 97 HE22 GLN 97 -15.579 -3.319 15.969 753 H LEU 98 HN LEU 98 -10.249 -5.773 12.383 754 HA LEU 98 HA LEU 98 -10.683 -7.483 10.126 755 1HB LEU 98 HB2 LEU 98 -9.864 -4.891 10.393 756 2HB LEU 98 HB1 LEU 98 -8.347 -5.691 10.020 757 HG LEU 98 HG LEU 98 -10.717 -6.268 8.301 758 1HD1 LEU 98 HD11 LEU 98 -8.981 -3.852 7.866 759 2HD1 LEU 98 HD12 LEU 98 -10.576 -3.777 8.616 760 3HD1 LEU 98 HD13 LEU 98 -10.407 -4.348 6.955 761 1HD2 LEU 98 HD21 LEU 98 -8.861 -7.552 7.734 762 2HD2 LEU 98 HD22 LEU 98 -7.736 -6.218 7.999 763 3HD2 LEU 98 HD23 LEU 98 -8.799 -6.209 6.592 764 H LYS 99 HN LYS 99 -7.916 -6.792 12.224 765 HA LYS 99 HA LYS 99 -6.118 -8.625 11.101 766 1HB LYS 99 HB2 LYS 99 -6.046 -6.762 13.143 767 2HB LYS 99 HB1 LYS 99 -5.831 -8.286 13.992 768 1HG LYS 99 HG2 LYS 99 -3.879 -8.804 12.766 769 2HG LYS 99 HG1 LYS 99 -4.183 -7.512 11.604 770 1HD LYS 99 HD2 LYS 99 -2.549 -6.581 12.953 771 2HD LYS 99 HD1 LYS 99 -4.030 -5.959 13.682 772 1HE LYS 99 HE2 LYS 99 -3.318 -8.518 14.809 773 2HE LYS 99 HE1 LYS 99 -1.980 -7.379 14.944 774 1HZ LYS 99 HZ1 LYS 99 -3.680 -5.779 15.869 775 2HZ LYS 99 HZ2 LYS 99 -3.268 -7.085 16.863 776 3HZ LYS 99 HZ3 LYS 99 -4.728 -7.100 16.009 777 H GLU 100 HN GLU 100 -8.446 -8.990 13.764 778 HA GLU 100 HA GLU 100 -7.692 -11.616 14.457 779 1HB GLU 100 HB2 GLU 100 -9.517 -11.661 15.878 780 2HB GLU 100 HB1 GLU 100 -9.211 -9.938 15.738 781 1HG GLU 100 HG2 GLU 100 -11.413 -9.829 15.387 782 2HG GLU 100 HG1 GLU 100 -10.990 -10.284 13.739 783 H PHE 101 HN PHE 101 -9.942 -10.340 12.064 784 HA PHE 101 HA PHE 101 -11.140 -12.782 11.324 785 1HB PHE 101 HB2 PHE 101 -11.845 -10.391 10.688 786 2HB PHE 101 HB1 PHE 101 -10.621 -10.487 9.428 787 HD1 PHE 101 HD1 PHE 101 -12.999 -13.068 10.660 788 HD2 PHE 101 HD2 PHE 101 -11.785 -10.580 7.427 789 HE1 PHE 101 HE1 PHE 101 -14.606 -14.206 9.186 790 HE2 PHE 101 HE2 PHE 101 -13.391 -11.714 5.948 791 HZ PHE 101 HZ PHE 101 -14.804 -13.530 6.827 792 H LEU 102 HN LEU 102 -8.210 -11.120 10.287 793 HA LEU 102 HA LEU 102 -7.550 -12.873 8.163 794 1HB LEU 102 HB2 LEU 102 -6.235 -10.705 9.659 795 2HB LEU 102 HB1 LEU 102 -5.132 -11.912 9.023 796 HG LEU 102 HG LEU 102 -7.063 -10.215 7.445 797 1HD1 LEU 102 HD11 LEU 102 -4.747 -9.705 6.323 798 2HD1 LEU 102 HD12 LEU 102 -4.120 -10.208 7.892 799 3HD1 LEU 102 HD13 LEU 102 -5.250 -8.858 7.785 800 1HD2 LEU 102 HD21 LEU 102 -7.115 -12.262 6.323 801 2HD2 LEU 102 HD22 LEU 102 -5.414 -12.589 6.651 802 3HD2 LEU 102 HD23 LEU 102 -5.864 -11.346 5.484 803 H ASP 103 HN ASP 103 -6.153 -12.611 11.446 804 HA ASP 103 HA ASP 103 -4.552 -14.848 11.429 805 1HB ASP 103 HB2 ASP 103 -5.305 -13.033 13.335 806 2HB ASP 103 HB1 ASP 103 -6.051 -14.508 13.943 807 H ALA 104 HN ALA 104 -8.023 -14.653 11.827 808 HA ALA 104 HA ALA 104 -8.430 -17.346 12.635 809 1HB ALA 104 HB1 ALA 104 -10.144 -15.089 11.781 810 2HB ALA 104 HB2 ALA 104 -10.227 -16.095 13.227 811 3HB ALA 104 HB3 ALA 104 -10.826 -16.712 11.686 812 H ASN 105 HN ASN 105 -7.977 -15.836 9.527 813 HA ASN 105 HA ASN 105 -8.864 -18.297 8.181 814 1HB ASN 105 HB2 ASN 105 -9.401 -15.641 7.607 815 2HB ASN 105 HB1 ASN 105 -8.139 -16.053 6.452 816 1HD2 ASN 105 HD21 ASN 105 -9.950 -15.615 4.951 817 2HD2 ASN 105 HD22 ASN 105 -11.004 -16.923 4.553 818 H LEU 106 HN LEU 106 -6.203 -15.938 8.213 819 HA LEU 106 HA LEU 106 -4.479 -17.149 6.414 820 1HB LEU 106 HB2 LEU 106 -4.240 -14.911 7.588 821 2HB LEU 106 HB1 LEU 106 -3.603 -15.795 8.958 822 HG LEU 106 HG LEU 106 -2.358 -15.906 6.215 823 1HD1 LEU 106 HD11 LEU 106 -2.428 -13.592 7.240 824 2HD1 LEU 106 HD12 LEU 106 -0.829 -14.228 6.856 825 3HD1 LEU 106 HD13 LEU 106 -1.403 -14.234 8.524 826 1HD2 LEU 106 HD21 LEU 106 -1.521 -17.722 7.346 827 2HD2 LEU 106 HD22 LEU 106 -1.654 -16.939 8.922 828 3HD2 LEU 106 HD23 LEU 106 -0.364 -16.476 7.814 829 H VAL 107 HN VAL 107 -4.020 -19.258 6.428 830 HA VAL 107 HA VAL 107 -2.543 -20.363 8.649 831 HB VAL 107 HB VAL 107 -4.000 -22.387 8.823 832 1HG1 VAL 107 HG11 VAL 107 -5.439 -21.463 10.434 833 2HG1 VAL 107 HG12 VAL 107 -5.528 -19.916 9.590 834 3HG1 VAL 107 HG13 VAL 107 -4.037 -20.392 10.403 835 1HG2 VAL 107 HG21 VAL 107 -5.518 -20.879 6.818 836 2HG2 VAL 107 HG22 VAL 107 -6.495 -21.545 8.126 837 3HG2 VAL 107 HG23 VAL 107 -5.483 -22.611 7.152 Start of MODEL 19 1 1H MET 1 HT1 MET 1 2.280 -7.445 -2.244 2 2H MET 1 HT2 MET 1 2.394 -6.364 -0.916 3 3H MET 1 HT3 MET 1 3.813 -6.869 -1.740 4 HA MET 1 HA MET 1 3.009 -4.605 -2.246 5 1HB MET 1 HB2 MET 1 3.548 -6.794 -4.214 6 2HB MET 1 HB1 MET 1 3.188 -5.179 -4.812 7 1HG MET 1 HG2 MET 1 5.036 -4.309 -3.402 8 2HG MET 1 HG1 MET 1 5.439 -5.972 -2.982 9 1HE MET 1 HE1 MET 1 4.987 -7.592 -5.442 10 2HE MET 1 HE2 MET 1 6.611 -7.721 -4.767 11 3HE MET 1 HE3 MET 1 6.393 -7.444 -6.495 12 H VAL 2 HN VAL 2 1.008 -3.839 -1.843 13 HA VAL 2 HA VAL 2 -1.409 -4.952 -2.760 14 HB VAL 2 HB VAL 2 -0.853 -2.089 -1.969 15 1HG1 VAL 2 HG11 VAL 2 -3.018 -1.649 -2.228 16 2HG1 VAL 2 HG12 VAL 2 -3.479 -3.081 -1.309 17 3HG1 VAL 2 HG13 VAL 2 -3.179 -3.204 -3.040 18 1HG2 VAL 2 HG21 VAL 2 -1.092 -4.572 -0.422 19 2HG2 VAL 2 HG22 VAL 2 -2.063 -3.227 0.176 20 3HG2 VAL 2 HG23 VAL 2 -0.318 -3.043 -0.007 21 H LYS 3 HN LYS 3 -2.754 -4.424 -4.467 22 HA LYS 3 HA LYS 3 -1.835 -2.452 -6.407 23 1HB LYS 3 HB2 LYS 3 -2.282 -4.203 -8.243 24 2HB LYS 3 HB1 LYS 3 -0.758 -4.299 -7.375 25 1HG LYS 3 HG2 LYS 3 -1.858 -6.021 -5.886 26 2HG LYS 3 HG1 LYS 3 -3.186 -6.039 -7.047 27 1HD LYS 3 HD2 LYS 3 -0.293 -6.656 -7.653 28 2HD LYS 3 HD1 LYS 3 -1.592 -7.839 -7.492 29 1HE LYS 3 HE2 LYS 3 -1.708 -7.633 -9.733 30 2HE LYS 3 HE1 LYS 3 -2.660 -6.201 -9.350 31 1HZ LYS 3 HZ1 LYS 3 -0.269 -5.125 -9.307 32 2HZ LYS 3 HZ2 LYS 3 -1.144 -5.286 -10.744 33 3HZ LYS 3 HZ3 LYS 3 0.070 -6.401 -10.365 34 H GLN 4 HN GLN 4 -3.522 -1.281 -7.008 35 HA GLN 4 HA GLN 4 -6.156 -2.096 -6.261 36 1HB GLN 4 HB2 GLN 4 -5.482 0.255 -6.153 37 2HB GLN 4 HB1 GLN 4 -5.245 0.278 -7.896 38 1HG GLN 4 HG2 GLN 4 -7.767 -0.522 -7.875 39 2HG GLN 4 HG1 GLN 4 -7.750 0.301 -6.317 40 1HE2 GLN 4 HE21 GLN 4 -7.515 2.528 -6.239 41 2HE2 GLN 4 HE22 GLN 4 -7.636 3.514 -7.651 42 H ILE 5 HN ILE 5 -7.685 -3.021 -7.492 43 HA ILE 5 HA ILE 5 -6.938 -3.746 -10.233 44 HB ILE 5 HB ILE 5 -8.424 -5.078 -8.078 45 1HG1 ILE 5 HG12 ILE 5 -7.400 -7.029 -8.960 46 2HG1 ILE 5 HG11 ILE 5 -7.143 -6.278 -10.528 47 1HG2 ILE 5 HG21 ILE 5 -9.728 -6.487 -9.719 48 2HG2 ILE 5 HG22 ILE 5 -9.461 -5.201 -10.895 49 3HG2 ILE 5 HG23 ILE 5 -10.355 -4.868 -9.411 50 1HD1 ILE 5 HD11 ILE 5 -5.808 -4.830 -8.407 51 2HD1 ILE 5 HD12 ILE 5 -5.165 -5.484 -9.913 52 3HD1 ILE 5 HD13 ILE 5 -5.302 -6.517 -8.490 53 H GLU 6 HN GLU 6 -7.627 -2.334 -11.677 54 HA GLU 6 HA GLU 6 -10.210 -1.020 -11.329 55 1HB GLU 6 HB2 GLU 6 -7.669 -0.290 -12.546 56 2HB GLU 6 HB1 GLU 6 -9.030 0.044 -13.606 57 1HG GLU 6 HG2 GLU 6 -10.001 1.528 -12.081 58 2HG GLU 6 HG1 GLU 6 -9.005 0.945 -10.749 59 H SER 7 HN SER 7 -9.757 -3.863 -12.312 60 HA SER 7 HA SER 7 -11.673 -3.714 -14.468 61 1HB SER 7 HB2 SER 7 -9.107 -3.619 -15.281 62 2HB SER 7 HB1 SER 7 -9.312 -5.368 -15.172 63 HG SER 7 HG SER 7 -9.911 -4.136 -17.218 64 H LYS 8 HN LYS 8 -12.524 -5.848 -15.065 65 HA LYS 8 HA LYS 8 -12.789 -7.530 -12.765 66 1HB LYS 8 HB2 LYS 8 -14.672 -7.157 -14.291 67 2HB LYS 8 HB1 LYS 8 -13.779 -7.915 -15.601 68 1HG LYS 8 HG2 LYS 8 -13.859 -9.718 -13.398 69 2HG LYS 8 HG1 LYS 8 -15.491 -9.121 -13.704 70 1HD LYS 8 HD2 LYS 8 -15.102 -11.120 -15.008 71 2HD LYS 8 HD1 LYS 8 -15.229 -9.727 -16.086 72 1HE LYS 8 HE2 LYS 8 -12.749 -9.611 -16.133 73 2HE LYS 8 HE1 LYS 8 -12.699 -11.092 -15.180 74 1HZ LYS 8 HZ1 LYS 8 -13.638 -10.726 -17.956 75 2HZ LYS 8 HZ2 LYS 8 -14.099 -12.075 -17.046 76 3HZ LYS 8 HZ3 LYS 8 -12.464 -11.794 -17.371 77 H THR 9 HN THR 9 -10.839 -7.523 -15.630 78 HA THR 9 HA THR 9 -10.056 -10.291 -15.447 79 HB THR 9 HB THR 9 -8.506 -8.226 -16.972 80 HG1 THR 9 HG1 THR 9 -10.411 -7.660 -17.741 81 1HG2 THR 9 HG21 THR 9 -8.370 -10.969 -16.887 82 2HG2 THR 9 HG22 THR 9 -7.714 -9.928 -18.151 83 3HG2 THR 9 HG23 THR 9 -9.312 -10.649 -18.344 84 H ALA 10 HN ALA 10 -8.857 -7.191 -14.349 85 HA ALA 10 HA ALA 10 -6.243 -8.030 -13.664 86 1HB ALA 10 HB1 ALA 10 -6.903 -5.660 -13.922 87 2HB ALA 10 HB2 ALA 10 -6.090 -5.980 -12.392 88 3HB ALA 10 HB3 ALA 10 -7.842 -5.784 -12.434 89 H PHE 11 HN PHE 11 -9.319 -8.067 -11.948 90 HA PHE 11 HA PHE 11 -8.380 -8.663 -9.373 91 1HB PHE 11 HB2 PHE 11 -10.783 -8.114 -10.168 92 2HB PHE 11 HB1 PHE 11 -10.919 -9.838 -10.503 93 HD1 PHE 11 HD1 PHE 11 -9.341 -7.955 -7.698 94 HD2 PHE 11 HD2 PHE 11 -12.272 -10.791 -8.911 95 HE1 PHE 11 HE1 PHE 11 -9.898 -8.381 -5.342 96 HE2 PHE 11 HE2 PHE 11 -12.835 -11.222 -6.556 97 HZ PHE 11 HZ PHE 11 -11.647 -10.016 -4.767 98 H GLN 12 HN GLN 12 -9.135 -10.747 -12.118 99 HA GLN 12 HA GLN 12 -8.658 -13.207 -10.782 100 1HB GLN 12 HB2 GLN 12 -8.499 -12.546 -13.732 101 2HB GLN 12 HB1 GLN 12 -8.528 -14.169 -13.056 102 1HG GLN 12 HG2 GLN 12 -10.723 -12.120 -12.846 103 2HG GLN 12 HG1 GLN 12 -10.711 -13.532 -13.902 104 1HE2 GLN 12 HE21 GLN 12 -10.885 -12.432 -10.591 105 2HE2 GLN 12 HE22 GLN 12 -11.563 -13.881 -9.938 106 H GLU 13 HN GLU 13 -6.652 -11.043 -12.725 107 HA GLU 13 HA GLU 13 -4.350 -12.611 -12.877 108 1HB GLU 13 HB2 GLU 13 -4.994 -9.739 -13.184 109 2HB GLU 13 HB1 GLU 13 -3.306 -10.126 -12.879 110 1HG GLU 13 HG2 GLU 13 -3.439 -11.740 -14.797 111 2HG GLU 13 HG1 GLU 13 -5.025 -11.061 -15.158 112 H ALA 14 HN ALA 14 -5.241 -10.129 -10.465 113 HA ALA 14 HA ALA 14 -2.871 -10.389 -8.947 114 1HB ALA 14 HB1 ALA 14 -4.379 -8.433 -8.836 115 2HB ALA 14 HB2 ALA 14 -4.018 -9.112 -7.248 116 3HB ALA 14 HB3 ALA 14 -5.576 -9.434 -8.012 117 H LEU 15 HN LEU 15 -5.955 -12.058 -8.912 118 HA LEU 15 HA LEU 15 -5.635 -13.368 -6.425 119 1HB LEU 15 HB2 LEU 15 -7.307 -13.823 -8.862 120 2HB LEU 15 HB1 LEU 15 -7.195 -15.104 -7.671 121 HG LEU 15 HG LEU 15 -8.294 -12.323 -7.266 122 1HD1 LEU 15 HD11 LEU 15 -10.237 -13.880 -6.449 123 2HD1 LEU 15 HD12 LEU 15 -9.441 -15.064 -7.485 124 3HD1 LEU 15 HD13 LEU 15 -10.015 -13.542 -8.166 125 1HD2 LEU 15 HD21 LEU 15 -7.136 -12.760 -5.262 126 2HD2 LEU 15 HD22 LEU 15 -7.611 -14.459 -5.264 127 3HD2 LEU 15 HD23 LEU 15 -8.811 -13.209 -4.942 128 H ASP 16 HN ASP 16 -4.730 -14.167 -9.735 129 HA ASP 16 HA ASP 16 -3.731 -16.766 -9.204 130 1HB ASP 16 HB2 ASP 16 -3.087 -14.822 -11.433 131 2HB ASP 16 HB1 ASP 16 -2.594 -16.513 -11.406 132 H ALA 17 HN ALA 17 -2.426 -13.569 -8.869 133 HA ALA 17 HA ALA 17 0.312 -14.171 -8.869 134 1HB ALA 17 HB1 ALA 17 0.659 -12.036 -7.865 135 2HB ALA 17 HB2 ALA 17 -0.993 -11.995 -7.245 136 3HB ALA 17 HB3 ALA 17 -0.700 -11.880 -8.981 137 H ALA 18 HN ALA 18 -1.971 -13.939 -6.117 138 HA ALA 18 HA ALA 18 -0.016 -14.686 -4.179 139 1HB ALA 18 HB1 ALA 18 -2.962 -14.373 -4.243 140 2HB ALA 18 HB2 ALA 18 -1.780 -13.724 -3.107 141 3HB ALA 18 HB3 ALA 18 -2.300 -15.404 -2.976 142 H GLY 19 HN GLY 19 -2.844 -16.489 -5.330 143 1HA GLY 19 HA2 GLY 19 -2.992 -18.702 -6.077 144 2HA GLY 19 HA1 GLY 19 -1.273 -18.893 -5.770 145 H ASP 20 HN ASP 20 -0.569 -19.379 -3.622 146 HA ASP 20 HA ASP 20 -2.587 -20.865 -2.123 147 1HB ASP 20 HB2 ASP 20 -0.294 -21.801 -2.823 148 2HB ASP 20 HB1 ASP 20 0.360 -20.811 -1.522 149 H LYS 21 HN LYS 21 -0.901 -17.896 -1.937 150 HA LYS 21 HA LYS 21 -0.906 -17.639 0.907 151 1HB LYS 21 HB2 LYS 21 -0.577 -15.639 -1.334 152 2HB LYS 21 HB1 LYS 21 -0.508 -15.193 0.365 153 1HG LYS 21 HG2 LYS 21 1.456 -16.464 0.714 154 2HG LYS 21 HG1 LYS 21 1.300 -17.262 -0.854 155 1HD LYS 21 HD2 LYS 21 1.497 -14.911 -1.856 156 2HD LYS 21 HD1 LYS 21 2.071 -14.419 -0.261 157 1HE LYS 21 HE2 LYS 21 3.919 -15.941 -0.390 158 2HE LYS 21 HE1 LYS 21 3.294 -16.649 -1.879 159 1HZ LYS 21 HZ1 LYS 21 3.608 -14.477 -2.954 160 2HZ LYS 21 HZ2 LYS 21 5.062 -15.125 -2.384 161 3HZ LYS 21 HZ3 LYS 21 4.303 -13.877 -1.534 162 H LEU 22 HN LEU 22 -2.230 -16.074 2.072 163 HA LEU 22 HA LEU 22 -4.992 -16.267 1.275 164 1HB LEU 22 HB2 LEU 22 -4.509 -16.584 3.595 165 2HB LEU 22 HB1 LEU 22 -3.610 -15.085 3.680 166 HG LEU 22 HG LEU 22 -5.561 -13.773 3.679 167 1HD1 LEU 22 HD11 LEU 22 -7.804 -15.303 3.477 168 2HD1 LEU 22 HD12 LEU 22 -6.741 -16.080 2.305 169 3HD1 LEU 22 HD13 LEU 22 -7.107 -14.362 2.159 170 1HD2 LEU 22 HD21 LEU 22 -5.172 -14.918 5.789 171 2HD2 LEU 22 HD22 LEU 22 -6.175 -16.267 5.254 172 3HD2 LEU 22 HD23 LEU 22 -6.897 -14.677 5.510 173 H VAL 23 HN VAL 23 -6.227 -14.691 0.406 174 HA VAL 23 HA VAL 23 -4.920 -12.100 -0.084 175 HB VAL 23 HB VAL 23 -7.096 -13.305 -1.772 176 1HG1 VAL 23 HG11 VAL 23 -5.601 -10.793 -1.762 177 2HG1 VAL 23 HG12 VAL 23 -7.149 -11.191 -2.509 178 3HG1 VAL 23 HG13 VAL 23 -5.643 -11.598 -3.331 179 1HG2 VAL 23 HG21 VAL 23 -4.191 -13.802 -1.765 180 2HG2 VAL 23 HG22 VAL 23 -4.910 -13.463 -3.340 181 3HG2 VAL 23 HG23 VAL 23 -5.514 -14.802 -2.366 182 H VAL 24 HN VAL 24 -5.669 -10.621 1.212 183 HA VAL 24 HA VAL 24 -8.532 -10.602 1.863 184 HB VAL 24 HB VAL 24 -7.058 -10.674 3.826 185 1HG1 VAL 24 HG11 VAL 24 -5.170 -9.524 3.992 186 2HG1 VAL 24 HG12 VAL 24 -5.990 -7.999 3.664 187 3HG1 VAL 24 HG13 VAL 24 -5.419 -8.999 2.328 188 1HG2 VAL 24 HG21 VAL 24 -9.193 -9.047 3.486 189 2HG2 VAL 24 HG22 VAL 24 -7.974 -7.887 4.010 190 3HG2 VAL 24 HG23 VAL 24 -8.356 -9.280 5.021 191 H VAL 25 HN VAL 25 -9.673 -9.277 0.659 192 HA VAL 25 HA VAL 25 -8.403 -6.795 -0.286 193 HB VAL 25 HB VAL 25 -10.041 -7.050 -2.263 194 1HG1 VAL 25 HG11 VAL 25 -8.419 -8.246 -3.526 195 2HG1 VAL 25 HG12 VAL 25 -7.817 -9.076 -2.092 196 3HG1 VAL 25 HG13 VAL 25 -7.537 -7.346 -2.292 197 1HG2 VAL 25 HG21 VAL 25 -11.179 -9.014 -1.031 198 2HG2 VAL 25 HG22 VAL 25 -9.824 -9.966 -1.635 199 3HG2 VAL 25 HG23 VAL 25 -10.901 -9.148 -2.766 200 H ASP 26 HN ASP 26 -10.020 -5.116 -0.940 201 HA ASP 26 HA ASP 26 -12.405 -5.177 0.778 202 1HB ASP 26 HB2 ASP 26 -10.427 -3.867 1.741 203 2HB ASP 26 HB1 ASP 26 -10.713 -2.706 0.450 204 H PHE 27 HN PHE 27 -14.233 -4.481 -0.148 205 HA PHE 27 HA PHE 27 -14.069 -3.403 -2.880 206 1HB PHE 27 HB2 PHE 27 -16.037 -5.042 -1.395 207 2HB PHE 27 HB1 PHE 27 -16.718 -3.833 -2.482 208 HD1 PHE 27 HD1 PHE 27 -14.636 -6.845 -2.266 209 HD2 PHE 27 HD2 PHE 27 -16.495 -4.023 -4.854 210 HE1 PHE 27 HE1 PHE 27 -14.188 -8.317 -4.186 211 HE2 PHE 27 HE2 PHE 27 -16.057 -5.495 -6.779 212 HZ PHE 27 HZ PHE 27 -14.900 -7.644 -6.446 213 H SER 28 HN SER 28 -14.073 -1.215 -2.944 214 HA SER 28 HA SER 28 -15.738 0.213 -0.977 215 1HB SER 28 HB2 SER 28 -13.298 0.558 -0.709 216 2HB SER 28 HB1 SER 28 -13.235 1.221 -2.342 217 HG SER 28 HG SER 28 -13.729 3.043 -1.443 218 H ALA 29 HN ALA 29 -15.717 2.689 -1.942 219 HA ALA 29 HA ALA 29 -16.550 2.751 -4.718 220 1HB ALA 29 HB1 ALA 29 -18.578 3.800 -2.802 221 2HB ALA 29 HB2 ALA 29 -18.534 2.067 -3.127 222 3HB ALA 29 HB3 ALA 29 -18.784 3.207 -4.450 223 H THR 30 HN THR 30 -16.850 4.946 -5.508 224 HA THR 30 HA THR 30 -15.063 6.804 -4.252 225 HB THR 30 HB THR 30 -16.958 7.618 -6.420 226 HG1 THR 30 HG1 THR 30 -16.339 6.013 -7.598 227 1HG2 THR 30 HG21 THR 30 -14.757 8.809 -5.323 228 2HG2 THR 30 HG22 THR 30 -15.458 9.184 -6.897 229 3HG2 THR 30 HG23 THR 30 -14.108 8.055 -6.779 230 H TRP 31 HN TRP 31 -18.508 6.384 -4.542 231 HA TRP 31 HA TRP 31 -19.168 8.902 -3.273 232 1HB TRP 31 HB2 TRP 31 -21.483 8.187 -3.599 233 2HB TRP 31 HB1 TRP 31 -20.555 7.934 -5.076 234 HD1 TRP 31 HD1 TRP 31 -19.983 5.370 -5.746 235 HE1 TRP 31 HE1 TRP 31 -21.106 3.141 -5.063 236 HE3 TRP 31 HE3 TRP 31 -22.742 7.000 -1.755 237 HZ2 TRP 31 HZ2 TRP 31 -22.916 2.219 -3.146 238 HZ3 TRP 31 HZ3 TRP 31 -24.144 5.373 -0.554 239 HH2 TRP 31 HH2 TRP 31 -24.227 3.032 -1.238 240 H CYS 32 HN CYS 32 -17.812 6.363 -1.896 241 HA CYS 32 HA CYS 32 -19.675 6.098 0.341 242 1HB CYS 32 HB2 CYS 32 -18.514 4.082 -0.735 243 2HB CYS 32 HB1 CYS 32 -17.048 4.653 0.055 244 H GLY 33 HN GLY 33 -18.896 6.276 2.537 245 1HA GLY 33 HA2 GLY 33 -16.799 8.341 2.774 246 2HA GLY 33 HA1 GLY 33 -18.183 8.212 3.852 247 HA PRO 34 HA PRO 34 -16.069 5.587 6.701 248 1HB PRO 34 HB2 PRO 34 -17.876 3.295 6.184 249 2HB PRO 34 HB1 PRO 34 -17.546 4.150 7.694 250 1HG PRO 34 HG2 PRO 34 -19.860 4.478 6.405 251 2HG PRO 34 HG1 PRO 34 -19.063 5.833 7.226 252 1HD PRO 34 HD2 PRO 34 -19.161 5.177 4.307 253 2HD PRO 34 HD1 PRO 34 -19.265 6.758 5.111 254 H CYS 35 HN CYS 35 -16.752 4.251 3.552 255 HA CYS 35 HA CYS 35 -15.215 1.923 3.637 256 1HB CYS 35 HB2 CYS 35 -15.745 3.779 1.306 257 2HB CYS 35 HB1 CYS 35 -15.081 2.155 1.165 258 H LYS 36 HN LYS 36 -14.304 5.238 2.788 259 HA LYS 36 HA LYS 36 -11.639 4.660 2.078 260 1HB LYS 36 HB2 LYS 36 -13.082 7.162 2.895 261 2HB LYS 36 HB1 LYS 36 -11.340 7.175 2.655 262 1HG LYS 36 HG2 LYS 36 -11.546 7.201 0.441 263 2HG LYS 36 HG1 LYS 36 -12.738 5.902 0.457 264 1HD LYS 36 HD2 LYS 36 -13.987 7.638 -0.390 265 2HD LYS 36 HD1 LYS 36 -14.333 7.784 1.334 266 1HE LYS 36 HE2 LYS 36 -12.291 9.386 1.344 267 2HE LYS 36 HE1 LYS 36 -12.566 9.472 -0.395 268 1HZ LYS 36 HZ1 LYS 36 -14.684 10.389 -0.077 269 2HZ LYS 36 HZ2 LYS 36 -13.695 11.211 1.021 270 3HZ LYS 36 HZ3 LYS 36 -14.723 9.984 1.566 271 H MET 37 HN MET 37 -13.182 5.111 5.176 272 HA MET 37 HA MET 37 -10.888 5.789 6.661 273 1HB MET 37 HB2 MET 37 -13.512 4.541 7.449 274 2HB MET 37 HB1 MET 37 -12.262 4.942 8.618 275 1HG MET 37 HG2 MET 37 -12.371 7.297 7.545 276 2HG MET 37 HG1 MET 37 -13.939 6.757 6.949 277 1HE MET 37 HE1 MET 37 -15.434 8.803 8.811 278 2HE MET 37 HE2 MET 37 -16.285 7.392 9.438 279 3HE MET 37 HE3 MET 37 -15.707 7.405 7.771 280 H ILE 38 HN ILE 38 -11.824 2.773 5.289 281 HA ILE 38 HA ILE 38 -10.339 1.194 7.227 282 HB ILE 38 HB ILE 38 -11.470 0.274 4.583 283 1HG1 ILE 38 HG12 ILE 38 -13.190 1.322 6.099 284 2HG1 ILE 38 HG11 ILE 38 -13.481 -0.371 5.712 285 1HG2 ILE 38 HG21 ILE 38 -11.384 -1.937 5.550 286 2HG2 ILE 38 HG22 ILE 38 -10.791 -1.279 7.076 287 3HG2 ILE 38 HG23 ILE 38 -9.788 -1.191 5.628 288 1HD1 ILE 38 HD11 ILE 38 -12.607 -1.028 7.884 289 2HD1 ILE 38 HD12 ILE 38 -13.940 0.114 8.050 290 3HD1 ILE 38 HD13 ILE 38 -12.279 0.661 8.272 291 H LYS 39 HN LYS 39 -9.760 2.809 4.230 292 HA LYS 39 HA LYS 39 -7.752 1.354 3.045 293 1HB LYS 39 HB2 LYS 39 -8.345 4.276 3.183 294 2HB LYS 39 HB1 LYS 39 -6.847 3.744 2.434 295 1HG LYS 39 HG2 LYS 39 -8.533 2.121 1.163 296 2HG LYS 39 HG1 LYS 39 -9.640 3.449 1.515 297 1HD LYS 39 HD2 LYS 39 -8.070 5.019 0.462 298 2HD LYS 39 HD1 LYS 39 -6.990 3.674 0.087 299 1HE LYS 39 HE2 LYS 39 -8.205 4.076 -1.891 300 2HE LYS 39 HE1 LYS 39 -8.942 2.647 -1.166 301 1HZ LYS 39 HZ1 LYS 39 -10.589 4.250 -1.969 302 2HZ LYS 39 HZ2 LYS 39 -9.985 5.416 -0.901 303 3HZ LYS 39 HZ3 LYS 39 -10.710 4.011 -0.299 304 HA PRO 40 HA PRO 40 -4.381 3.883 5.592 305 1HB PRO 40 HB2 PRO 40 -5.406 4.446 8.148 306 2HB PRO 40 HB1 PRO 40 -5.063 5.613 6.869 307 1HG PRO 40 HG2 PRO 40 -7.646 4.353 7.642 308 2HG PRO 40 HG1 PRO 40 -7.327 5.986 7.029 309 1HD PRO 40 HD2 PRO 40 -8.402 4.102 5.463 310 2HD PRO 40 HD1 PRO 40 -7.227 5.269 4.819 311 H PHE 41 HN PHE 41 -6.767 2.027 7.512 312 HA PHE 41 HA PHE 41 -4.697 0.659 8.956 313 1HB PHE 41 HB2 PHE 41 -7.578 -0.206 8.796 314 2HB PHE 41 HB1 PHE 41 -6.434 -0.462 10.106 315 HD1 PHE 41 HD1 PHE 41 -5.473 1.841 11.108 316 HD2 PHE 41 HD2 PHE 41 -9.199 1.359 9.111 317 HE1 PHE 41 HE1 PHE 41 -6.338 3.848 12.242 318 HE2 PHE 41 HE2 PHE 41 -10.068 3.364 10.238 319 HZ PHE 41 HZ PHE 41 -8.638 4.611 11.805 320 H PHE 42 HN PHE 42 -6.658 -0.055 6.112 321 HA PHE 42 HA PHE 42 -6.145 -2.836 6.023 322 1HB PHE 42 HB2 PHE 42 -7.830 -1.311 4.658 323 2HB PHE 42 HB1 PHE 42 -6.510 -1.286 3.497 324 HD1 PHE 42 HD1 PHE 42 -8.682 -3.588 5.434 325 HD2 PHE 42 HD2 PHE 42 -6.238 -3.045 1.988 326 HE1 PHE 42 HE1 PHE 42 -9.449 -5.753 4.551 327 HE2 PHE 42 HE2 PHE 42 -7.005 -5.208 1.101 328 HZ PHE 42 HZ PHE 42 -8.612 -6.565 2.383 329 H HIS 43 HN HIS 43 -4.547 -0.058 4.519 330 HA HIS 43 HA HIS 43 -2.620 -1.557 3.104 331 1HB HIS 43 HB2 HIS 43 -3.376 1.082 3.175 332 2HB HIS 43 HB1 HIS 43 -1.776 1.132 3.908 333 HD1 HIS 43 HD1 HIS 43 -3.383 1.180 0.676 334 HD2 HIS 43 HD2 HIS 43 0.213 -0.242 2.190 335 HE1 HIS 43 HE1 HIS 43 -1.849 0.865 -1.311 336 H SER 44 HN SER 44 -2.607 -0.121 6.342 337 HA SER 44 HA SER 44 0.109 -0.453 6.911 338 1HB SER 44 HB2 SER 44 -2.371 -0.251 8.580 339 2HB SER 44 HB1 SER 44 -0.846 -0.680 9.355 340 HG SER 44 HG SER 44 -0.503 1.389 9.356 341 H LEU 45 HN LEU 45 -2.624 -2.670 7.334 342 HA LEU 45 HA LEU 45 -1.239 -4.712 8.659 343 1HB LEU 45 HB2 LEU 45 -3.650 -4.796 6.844 344 2HB LEU 45 HB1 LEU 45 -3.053 -6.203 7.703 345 HG LEU 45 HG LEU 45 -3.673 -3.749 9.281 346 1HD1 LEU 45 HD11 LEU 45 -5.778 -5.685 8.331 347 2HD1 LEU 45 HD12 LEU 45 -5.598 -4.023 7.770 348 3HD1 LEU 45 HD13 LEU 45 -6.007 -4.345 9.455 349 1HD2 LEU 45 HD21 LEU 45 -2.747 -5.515 10.533 350 2HD2 LEU 45 HD22 LEU 45 -3.759 -6.718 9.734 351 3HD2 LEU 45 HD23 LEU 45 -4.480 -5.566 10.858 352 H SER 46 HN SER 46 -1.737 -4.100 5.204 353 HA SER 46 HA SER 46 -0.615 -6.416 4.157 354 1HB SER 46 HB2 SER 46 -0.447 -5.272 2.103 355 2HB SER 46 HB1 SER 46 -1.790 -4.483 2.932 356 HG SER 46 HG SER 46 -0.701 -2.717 2.669 357 H GLU 47 HN GLU 47 0.953 -3.697 5.687 358 HA GLU 47 HA GLU 47 3.566 -4.422 4.659 359 1HB GLU 47 HB2 GLU 47 2.809 -2.034 5.122 360 2HB GLU 47 HB1 GLU 47 2.984 -2.413 6.829 361 1HG GLU 47 HG2 GLU 47 5.226 -2.323 6.758 362 2HG GLU 47 HG1 GLU 47 5.311 -3.069 5.164 363 H LYS 48 HN LYS 48 1.610 -5.087 7.425 364 HA LYS 48 HA LYS 48 3.905 -6.070 8.950 365 1HB LYS 48 HB2 LYS 48 2.108 -4.764 10.089 366 2HB LYS 48 HB1 LYS 48 0.974 -6.051 9.704 367 1HG LYS 48 HG2 LYS 48 2.902 -7.468 10.942 368 2HG LYS 48 HG1 LYS 48 3.061 -5.918 11.771 369 1HD LYS 48 HD2 LYS 48 1.436 -6.769 13.089 370 2HD LYS 48 HD1 LYS 48 0.382 -6.192 11.795 371 1HE LYS 48 HE2 LYS 48 0.121 -8.321 10.891 372 2HE LYS 48 HE1 LYS 48 1.562 -8.942 11.697 373 1HZ LYS 48 HZ1 LYS 48 -1.147 -8.617 12.724 374 2HZ LYS 48 HZ2 LYS 48 0.116 -8.318 13.808 375 3HZ LYS 48 HZ3 LYS 48 -0.004 -9.824 13.046 376 H TYR 49 HN TYR 49 1.453 -7.148 6.835 377 HA TYR 49 HA TYR 49 1.736 -9.951 7.656 378 1HB TYR 49 HB2 TYR 49 -0.254 -8.412 6.043 379 2HB TYR 49 HB1 TYR 49 -0.055 -10.131 5.718 380 HD1 TYR 49 HD1 TYR 49 -1.030 -11.750 7.132 381 HD2 TYR 49 HD2 TYR 49 -0.871 -7.685 8.376 382 HE1 TYR 49 HE1 TYR 49 -2.505 -12.279 9.025 383 HE2 TYR 49 HE2 TYR 49 -2.347 -8.201 10.273 384 HH TYR 49 HH TYR 49 -2.841 -11.021 11.505 385 H SER 50 HN SER 50 3.850 -10.318 6.835 386 HA SER 50 HA SER 50 4.333 -9.910 3.997 387 1HB SER 50 HB2 SER 50 6.542 -11.175 4.729 388 2HB SER 50 HB1 SER 50 6.294 -9.478 5.141 389 HG SER 50 HG SER 50 6.783 -10.311 7.055 390 H ASN 51 HN ASN 51 2.236 -11.535 4.155 391 HA ASN 51 HA ASN 51 3.232 -14.004 3.032 392 1HB ASN 51 HB2 ASN 51 2.699 -14.103 5.687 393 2HB ASN 51 HB1 ASN 51 1.104 -14.468 5.036 394 1HD2 ASN 51 HD21 ASN 51 1.210 -16.558 5.857 395 2HD2 ASN 51 HD22 ASN 51 2.180 -17.782 5.117 396 H VAL 52 HN VAL 52 0.433 -12.105 4.052 397 HA VAL 52 HA VAL 52 -1.228 -13.283 1.967 398 HB VAL 52 HB VAL 52 -3.075 -12.125 2.978 399 1HG1 VAL 52 HG11 VAL 52 -1.495 -12.994 5.357 400 2HG1 VAL 52 HG12 VAL 52 -1.931 -14.163 4.111 401 3HG1 VAL 52 HG13 VAL 52 -3.192 -13.281 4.974 402 1HG2 VAL 52 HG21 VAL 52 -2.135 -10.860 5.252 403 2HG2 VAL 52 HG22 VAL 52 -2.714 -10.078 3.781 404 3HG2 VAL 52 HG23 VAL 52 -0.991 -10.382 3.997 405 H ILE 53 HN ILE 53 -2.367 -11.996 0.428 406 HA ILE 53 HA ILE 53 -0.865 -9.598 -0.346 407 HB ILE 53 HB ILE 53 -1.219 -11.712 -1.870 408 1HG1 ILE 53 HG12 ILE 53 -1.417 -10.000 -3.872 409 2HG1 ILE 53 HG11 ILE 53 -1.214 -8.818 -2.582 410 1HG2 ILE 53 HG21 ILE 53 -3.728 -11.581 -1.644 411 2HG2 ILE 53 HG22 ILE 53 -3.097 -11.721 -3.285 412 3HG2 ILE 53 HG23 ILE 53 -3.656 -10.159 -2.687 413 1HD1 ILE 53 HD11 ILE 53 0.754 -10.692 -2.089 414 2HD1 ILE 53 HD12 ILE 53 0.968 -9.110 -2.837 415 3HD1 ILE 53 HD13 ILE 53 0.732 -10.538 -3.844 416 H PHE 54 HN PHE 54 -1.727 -7.756 0.198 417 HA PHE 54 HA PHE 54 -4.617 -7.471 0.596 418 1HB PHE 54 HB2 PHE 54 -2.173 -5.959 1.428 419 2HB PHE 54 HB1 PHE 54 -3.669 -5.075 1.276 420 HD1 PHE 54 HD1 PHE 54 -2.494 -8.274 2.898 421 HD2 PHE 54 HD2 PHE 54 -4.821 -4.714 3.159 422 HE1 PHE 54 HE1 PHE 54 -3.101 -8.829 5.222 423 HE2 PHE 54 HE2 PHE 54 -5.435 -5.276 5.470 424 HZ PHE 54 HZ PHE 54 -4.572 -7.331 6.506 425 H LEU 55 HN LEU 55 -5.799 -6.698 -1.161 426 HA LEU 55 HA LEU 55 -4.472 -4.649 -2.759 427 1HB LEU 55 HB2 LEU 55 -4.669 -5.634 -4.715 428 2HB LEU 55 HB1 LEU 55 -4.718 -7.105 -3.765 429 HG LEU 55 HG LEU 55 -7.387 -6.389 -3.972 430 1HD1 LEU 55 HD11 LEU 55 -7.701 -6.009 -6.392 431 2HD1 LEU 55 HD12 LEU 55 -5.958 -5.802 -6.561 432 3HD1 LEU 55 HD13 LEU 55 -6.891 -4.660 -5.594 433 1HD2 LEU 55 HD21 LEU 55 -6.216 -8.619 -4.213 434 2HD2 LEU 55 HD22 LEU 55 -5.907 -8.175 -5.890 435 3HD2 LEU 55 HD23 LEU 55 -7.566 -8.339 -5.314 436 H GLU 56 HN GLU 56 -5.948 -3.387 -4.159 437 HA GLU 56 HA GLU 56 -8.378 -2.786 -2.613 438 1HB GLU 56 HB2 GLU 56 -6.241 -1.229 -3.134 439 2HB GLU 56 HB1 GLU 56 -7.261 -0.823 -4.503 440 1HG GLU 56 HG2 GLU 56 -9.099 -0.448 -2.726 441 2HG GLU 56 HG1 GLU 56 -7.754 -0.376 -1.589 442 H VAL 57 HN VAL 57 -10.237 -3.361 -3.584 443 HA VAL 57 HA VAL 57 -10.361 -3.094 -6.516 444 HB VAL 57 HB VAL 57 -12.326 -4.757 -4.984 445 1HG1 VAL 57 HG11 VAL 57 -12.354 -3.944 -7.493 446 2HG1 VAL 57 HG12 VAL 57 -12.915 -5.552 -7.038 447 3HG1 VAL 57 HG13 VAL 57 -11.298 -5.338 -7.708 448 1HG2 VAL 57 HG21 VAL 57 -11.009 -6.698 -5.141 449 2HG2 VAL 57 HG22 VAL 57 -9.920 -5.477 -4.485 450 3HG2 VAL 57 HG23 VAL 57 -9.828 -5.917 -6.191 451 H ASP 58 HN ASP 58 -11.452 -1.394 -7.163 452 HA ASP 58 HA ASP 58 -13.530 -0.265 -5.436 453 1HB ASP 58 HB2 ASP 58 -11.817 1.303 -6.150 454 2HB ASP 58 HB1 ASP 58 -12.074 0.871 -7.836 455 H VAL 59 HN VAL 59 -15.574 -0.735 -5.864 456 HA VAL 59 HA VAL 59 -16.390 -2.308 -8.016 457 HB VAL 59 HB VAL 59 -17.617 -2.206 -5.906 458 1HG1 VAL 59 HG11 VAL 59 -18.975 0.320 -6.630 459 2HG1 VAL 59 HG12 VAL 59 -17.336 0.444 -5.989 460 3HG1 VAL 59 HG13 VAL 59 -18.593 -0.354 -5.045 461 1HG2 VAL 59 HG21 VAL 59 -19.688 -2.613 -6.809 462 2HG2 VAL 59 HG22 VAL 59 -18.677 -2.724 -8.249 463 3HG2 VAL 59 HG23 VAL 59 -19.591 -1.251 -7.925 464 H ASP 60 HN ASP 60 -15.917 1.090 -7.859 465 HA ASP 60 HA ASP 60 -17.748 1.937 -9.825 466 1HB ASP 60 HB2 ASP 60 -16.018 3.238 -8.221 467 2HB ASP 60 HB1 ASP 60 -15.088 3.257 -9.715 468 H ASP 61 HN ASP 61 -14.478 0.681 -9.979 469 HA ASP 61 HA ASP 61 -14.567 0.675 -12.915 470 1HB ASP 61 HB2 ASP 61 -12.226 0.047 -11.102 471 2HB ASP 61 HB1 ASP 61 -12.176 0.280 -12.847 472 H ALA 62 HN ALA 62 -14.378 -1.398 -10.109 473 HA ALA 62 HA ALA 62 -14.208 -3.791 -11.765 474 1HB ALA 62 HB1 ALA 62 -14.493 -4.174 -8.881 475 2HB ALA 62 HB2 ALA 62 -13.108 -3.181 -9.331 476 3HB ALA 62 HB3 ALA 62 -13.279 -4.807 -9.992 477 H GLN 63 HN GLN 63 -16.530 -2.380 -12.146 478 HA GLN 63 HA GLN 63 -18.664 -3.266 -10.491 479 1HB GLN 63 HB2 GLN 63 -18.587 -1.211 -12.010 480 2HB GLN 63 HB1 GLN 63 -18.936 -2.315 -13.333 481 1HG GLN 63 HG2 GLN 63 -21.090 -2.487 -12.780 482 2HG GLN 63 HG1 GLN 63 -20.739 -2.603 -11.057 483 1HE2 GLN 63 HE21 GLN 63 -20.165 -0.571 -9.970 484 2HE2 GLN 63 HE22 GLN 63 -20.952 0.883 -10.472 485 H ASP 64 HN ASP 64 -16.830 -4.887 -12.808 486 HA ASP 64 HA ASP 64 -19.025 -6.642 -13.608 487 1HB ASP 64 HB2 ASP 64 -16.310 -6.063 -14.649 488 2HB ASP 64 HB1 ASP 64 -16.897 -7.711 -14.859 489 H VAL 65 HN VAL 65 -16.386 -6.536 -11.380 490 HA VAL 65 HA VAL 65 -16.222 -9.399 -11.071 491 HB VAL 65 HB VAL 65 -14.924 -8.760 -8.923 492 1HG1 VAL 65 HG11 VAL 65 -13.522 -9.589 -10.480 493 2HG1 VAL 65 HG12 VAL 65 -12.993 -7.909 -10.572 494 3HG1 VAL 65 HG13 VAL 65 -14.137 -8.540 -11.757 495 1HG2 VAL 65 HG21 VAL 65 -15.687 -6.431 -8.799 496 2HG2 VAL 65 HG22 VAL 65 -14.877 -6.091 -10.329 497 3HG2 VAL 65 HG23 VAL 65 -13.932 -6.547 -8.914 498 H ALA 66 HN ALA 66 -17.550 -6.691 -9.143 499 HA ALA 66 HA ALA 66 -18.468 -8.029 -6.956 500 1HB ALA 66 HB1 ALA 66 -18.971 -5.532 -8.254 501 2HB ALA 66 HB2 ALA 66 -19.114 -5.946 -6.545 502 3HB ALA 66 HB3 ALA 66 -20.485 -6.186 -7.629 503 HA PRO 67 HA PRO 67 -22.787 -8.840 -9.228 504 1HB PRO 67 HB2 PRO 67 -21.635 -8.991 -11.981 505 2HB PRO 67 HB1 PRO 67 -23.233 -8.440 -11.459 506 1HG PRO 67 HG2 PRO 67 -21.378 -6.671 -12.143 507 2HG PRO 67 HG1 PRO 67 -22.430 -6.371 -10.750 508 1HD PRO 67 HD2 PRO 67 -19.575 -7.240 -10.829 509 2HD PRO 67 HD1 PRO 67 -20.395 -6.144 -9.699 510 H LYS 68 HN LYS 68 -19.666 -10.039 -10.228 511 HA LYS 68 HA LYS 68 -20.557 -12.690 -10.854 512 1HB LYS 68 HB2 LYS 68 -18.266 -11.270 -11.358 513 2HB LYS 68 HB1 LYS 68 -17.737 -12.366 -10.089 514 1HG LYS 68 HG2 LYS 68 -17.927 -14.199 -11.398 515 2HG LYS 68 HG1 LYS 68 -19.303 -13.555 -12.291 516 1HD LYS 68 HD2 LYS 68 -17.534 -11.885 -13.244 517 2HD LYS 68 HD1 LYS 68 -16.380 -13.119 -12.730 518 1HE LYS 68 HE2 LYS 68 -17.891 -14.765 -13.997 519 2HE LYS 68 HE1 LYS 68 -18.591 -13.333 -14.748 520 1HZ LYS 68 HZ1 LYS 68 -16.504 -14.623 -15.743 521 2HZ LYS 68 HZ2 LYS 68 -15.688 -13.507 -14.768 522 3HZ LYS 68 HZ3 LYS 68 -16.749 -12.964 -15.968 523 H TYR 69 HN TYR 69 -19.612 -10.983 -7.976 524 HA TYR 69 HA TYR 69 -19.528 -13.491 -6.429 525 1HB TYR 69 HB2 TYR 69 -18.484 -10.717 -5.848 526 2HB TYR 69 HB1 TYR 69 -18.496 -12.024 -4.677 527 HD1 TYR 69 HD1 TYR 69 -17.241 -14.201 -5.362 528 HD2 TYR 69 HD2 TYR 69 -16.668 -10.441 -7.271 529 HE1 TYR 69 HE1 TYR 69 -15.077 -14.978 -6.236 530 HE2 TYR 69 HE2 TYR 69 -14.503 -11.209 -8.148 531 HH TYR 69 HH TYR 69 -13.367 -13.330 -8.658 532 H GLY 70 HN GLY 70 -21.572 -11.010 -7.218 533 1HA GLY 70 HA2 GLY 70 -23.646 -10.383 -6.449 534 2HA GLY 70 HA1 GLY 70 -23.570 -11.772 -5.383 535 H ILE 71 HN ILE 71 -21.340 -9.007 -5.327 536 HA ILE 71 HA ILE 71 -21.796 -8.651 -2.516 537 HB ILE 71 HB ILE 71 -20.244 -6.917 -4.450 538 1HG1 ILE 71 HG12 ILE 71 -19.144 -8.900 -2.460 539 2HG1 ILE 71 HG11 ILE 71 -19.518 -9.348 -4.119 540 1HG2 ILE 71 HG21 ILE 71 -20.681 -6.789 -1.514 541 2HG2 ILE 71 HG22 ILE 71 -20.482 -5.487 -2.687 542 3HG2 ILE 71 HG23 ILE 71 -19.077 -6.396 -2.133 543 1HD1 ILE 71 HD11 ILE 71 -17.375 -8.818 -4.471 544 2HD1 ILE 71 HD12 ILE 71 -17.284 -7.791 -3.039 545 3HD1 ILE 71 HD13 ILE 71 -17.989 -7.166 -4.530 546 H ARG 72 HN ARG 72 -23.018 -7.133 -1.484 547 HA ARG 72 HA ARG 72 -24.175 -4.916 -2.955 548 1HB ARG 72 HB2 ARG 72 -25.709 -6.850 -3.344 549 2HB ARG 72 HB1 ARG 72 -25.974 -6.936 -1.609 550 1HG ARG 72 HG2 ARG 72 -26.572 -4.348 -2.042 551 2HG ARG 72 HG1 ARG 72 -27.034 -5.042 -3.598 552 1HD ARG 72 HD2 ARG 72 -28.094 -6.843 -1.845 553 2HD ARG 72 HD1 ARG 72 -28.274 -5.331 -0.955 554 HE ARG 72 HE ARG 72 -29.758 -6.162 -3.243 555 1HH1 ARG 72 HH11 ARG 72 -28.488 -3.349 -1.612 556 2HH1 ARG 72 HH12 ARG 72 -29.682 -2.278 -2.264 557 1HH2 ARG 72 HH21 ARG 72 -31.330 -4.754 -4.098 558 2HH2 ARG 72 HH22 ARG 72 -31.295 -3.075 -3.675 559 H GLY 73 HN GLY 73 -22.398 -4.503 -1.087 560 1HA GLY 73 HA2 GLY 73 -23.609 -2.855 0.790 561 2HA GLY 73 HA1 GLY 73 -23.362 -4.400 1.585 562 H ILE 74 HN ILE 74 -21.934 -1.476 0.572 563 HA ILE 74 HA ILE 74 -19.237 -2.459 1.172 564 HB ILE 74 HB ILE 74 -18.511 -0.217 0.267 565 1HG1 ILE 74 HG12 ILE 74 -21.278 -0.062 -0.911 566 2HG1 ILE 74 HG11 ILE 74 -20.898 0.726 0.617 567 1HG2 ILE 74 HG21 ILE 74 -18.992 -2.555 -0.995 568 2HG2 ILE 74 HG22 ILE 74 -18.280 -1.144 -1.777 569 3HG2 ILE 74 HG23 ILE 74 -20.007 -1.466 -1.941 570 1HD1 ILE 74 HD11 ILE 74 -20.340 1.567 -2.079 571 2HD1 ILE 74 HD12 ILE 74 -18.872 1.523 -1.103 572 3HD1 ILE 74 HD13 ILE 74 -20.256 2.478 -0.572 573 HA PRO 75 HA PRO 75 -17.249 -1.188 1.511 574 1HB PRO 75 HB2 PRO 75 -15.475 -1.394 3.514 575 2HB PRO 75 HB1 PRO 75 -15.976 0.180 2.883 576 1HG PRO 75 HG2 PRO 75 -16.920 -1.265 5.333 577 2HG PRO 75 HG1 PRO 75 -16.487 0.445 5.143 578 1HD PRO 75 HD2 PRO 75 -19.058 -0.453 5.119 579 2HD PRO 75 HD1 PRO 75 -18.524 0.988 4.232 580 H THR 76 HN THR 76 -17.416 -3.281 0.819 581 HA THR 76 HA THR 76 -17.798 -5.421 2.733 582 HB THR 76 HB THR 76 -17.275 -6.183 -0.050 583 HG1 THR 76 HG1 THR 76 -19.362 -4.376 0.564 584 1HG2 THR 76 HG21 THR 76 -19.520 -6.651 1.884 585 2HG2 THR 76 HG22 THR 76 -18.294 -7.792 1.334 586 3HG2 THR 76 HG23 THR 76 -19.539 -7.230 0.218 587 H LEU 77 HN LEU 77 -16.301 -6.897 3.333 588 HA LEU 77 HA LEU 77 -13.575 -6.543 2.285 589 1HB LEU 77 HB2 LEU 77 -14.590 -6.753 4.955 590 2HB LEU 77 HB1 LEU 77 -13.605 -8.168 4.634 591 HG LEU 77 HG LEU 77 -11.753 -6.606 3.933 592 1HD1 LEU 77 HD11 LEU 77 -13.552 -4.683 3.743 593 2HD1 LEU 77 HD12 LEU 77 -11.878 -4.342 4.183 594 3HD1 LEU 77 HD13 LEU 77 -13.117 -4.435 5.435 595 1HD2 LEU 77 HD21 LEU 77 -11.350 -7.496 6.001 596 2HD2 LEU 77 HD22 LEU 77 -12.844 -6.858 6.689 597 3HD2 LEU 77 HD23 LEU 77 -11.469 -5.787 6.422 598 H LEU 78 HN LEU 78 -12.833 -8.114 1.026 599 HA LEU 78 HA LEU 78 -14.236 -10.703 1.107 600 1HB LEU 78 HB2 LEU 78 -13.179 -9.044 -1.136 601 2HB LEU 78 HB1 LEU 78 -13.200 -10.784 -1.326 602 HG LEU 78 HG LEU 78 -15.512 -8.879 -1.118 603 1HD1 LEU 78 HD11 LEU 78 -15.596 -11.170 -2.929 604 2HD1 LEU 78 HD12 LEU 78 -14.252 -10.069 -3.224 605 3HD1 LEU 78 HD13 LEU 78 -15.907 -9.462 -3.238 606 1HD2 LEU 78 HD21 LEU 78 -16.140 -10.495 0.503 607 2HD2 LEU 78 HD22 LEU 78 -15.555 -11.826 -0.498 608 3HD2 LEU 78 HD23 LEU 78 -16.984 -10.915 -0.988 609 H LEU 79 HN LEU 79 -13.125 -12.536 1.295 610 HA LEU 79 HA LEU 79 -10.186 -12.367 1.398 611 1HB LEU 79 HB2 LEU 79 -12.197 -13.715 3.119 612 2HB LEU 79 HB1 LEU 79 -10.711 -14.592 2.821 613 HG LEU 79 HG LEU 79 -10.719 -13.273 4.932 614 1HD1 LEU 79 HD11 LEU 79 -8.562 -13.686 4.429 615 2HD1 LEU 79 HD12 LEU 79 -8.525 -11.946 4.150 616 3HD1 LEU 79 HD13 LEU 79 -8.706 -13.052 2.790 617 1HD2 LEU 79 HD21 LEU 79 -10.609 -10.900 4.905 618 2HD2 LEU 79 HD22 LEU 79 -12.029 -11.365 3.969 619 3HD2 LEU 79 HD23 LEU 79 -10.557 -10.859 3.143 620 H PHE 80 HN PHE 80 -9.158 -13.513 -0.123 621 HA PHE 80 HA PHE 80 -10.642 -15.685 -1.442 622 1HB PHE 80 HB2 PHE 80 -8.715 -13.639 -2.485 623 2HB PHE 80 HB1 PHE 80 -8.933 -15.158 -3.343 624 HD1 PHE 80 HD1 PHE 80 -10.554 -12.067 -2.238 625 HD2 PHE 80 HD2 PHE 80 -10.941 -15.604 -4.574 626 HE1 PHE 80 HE1 PHE 80 -12.570 -11.138 -3.299 627 HE2 PHE 80 HE2 PHE 80 -12.958 -14.682 -5.644 628 HZ PHE 80 HZ PHE 80 -13.777 -12.446 -5.005 629 H LYS 81 HN LYS 81 -9.626 -17.619 -1.876 630 HA LYS 81 HA LYS 81 -6.883 -18.022 -0.980 631 1HB LYS 81 HB2 LYS 81 -8.915 -18.529 0.770 632 2HB LYS 81 HB1 LYS 81 -8.773 -20.085 -0.032 633 1HG LYS 81 HG2 LYS 81 -6.879 -20.581 1.028 634 2HG LYS 81 HG1 LYS 81 -6.201 -18.975 0.761 635 1HD LYS 81 HD2 LYS 81 -7.653 -18.135 2.613 636 2HD LYS 81 HD1 LYS 81 -8.134 -19.803 2.926 637 1HE LYS 81 HE2 LYS 81 -5.393 -18.586 3.186 638 2HE LYS 81 HE1 LYS 81 -6.396 -19.279 4.460 639 1HZ LYS 81 HZ1 LYS 81 -4.826 -20.912 3.978 640 2HZ LYS 81 HZ2 LYS 81 -4.938 -20.684 2.306 641 3HZ LYS 81 HZ3 LYS 81 -6.204 -21.429 3.144 642 H ASN 82 HN ASN 82 -5.995 -18.902 -2.745 643 HA ASN 82 HA ASN 82 -5.629 -20.285 -4.539 644 1HB ASN 82 HB2 ASN 82 -7.792 -22.104 -3.506 645 2HB ASN 82 HB1 ASN 82 -6.321 -22.524 -4.372 646 1HD2 ASN 82 HD21 ASN 82 -4.326 -21.469 -3.061 647 2HD2 ASN 82 HD22 ASN 82 -4.270 -21.999 -1.417 648 H GLY 83 HN GLY 83 -7.278 -18.155 -5.032 649 1HA GLY 83 HA2 GLY 83 -8.606 -17.408 -6.754 650 2HA GLY 83 HA1 GLY 83 -8.658 -19.053 -7.352 651 H GLU 84 HN GLU 84 -9.694 -19.136 -4.191 652 HA GLU 84 HA GLU 84 -12.499 -18.775 -5.014 653 1HB GLU 84 HB2 GLU 84 -11.477 -21.185 -4.612 654 2HB GLU 84 HB1 GLU 84 -11.788 -20.784 -2.930 655 1HG GLU 84 HG2 GLU 84 -14.163 -20.181 -3.785 656 2HG GLU 84 HG1 GLU 84 -13.719 -21.179 -5.169 657 H VAL 85 HN VAL 85 -13.875 -17.817 -3.615 658 HA VAL 85 HA VAL 85 -12.788 -16.155 -1.574 659 HB VAL 85 HB VAL 85 -15.704 -16.774 -2.076 660 1HG1 VAL 85 HG11 VAL 85 -15.781 -15.620 -0.114 661 2HG1 VAL 85 HG12 VAL 85 -15.684 -14.251 -1.222 662 3HG1 VAL 85 HG13 VAL 85 -14.233 -14.822 -0.396 663 1HG2 VAL 85 HG21 VAL 85 -15.761 -15.235 -3.765 664 2HG2 VAL 85 HG22 VAL 85 -14.121 -15.844 -3.988 665 3HG2 VAL 85 HG23 VAL 85 -14.389 -14.327 -3.131 666 H ALA 86 HN ALA 86 -12.343 -16.747 0.495 667 HA ALA 86 HA ALA 86 -13.790 -19.052 1.599 668 1HB ALA 86 HB1 ALA 86 -11.707 -19.176 3.141 669 2HB ALA 86 HB2 ALA 86 -10.947 -18.202 1.882 670 3HB ALA 86 HB3 ALA 86 -11.609 -19.789 1.491 671 H ALA 87 HN ALA 87 -14.010 -15.927 1.769 672 HA ALA 87 HA ALA 87 -15.321 -15.875 4.258 673 1HB ALA 87 HB1 ALA 87 -13.702 -15.440 5.709 674 2HB ALA 87 HB2 ALA 87 -13.333 -13.954 4.835 675 3HB ALA 87 HB3 ALA 87 -12.505 -15.453 4.415 676 H THR 88 HN THR 88 -16.698 -14.155 4.352 677 HA THR 88 HA THR 88 -16.154 -11.861 2.609 678 HB THR 88 HB THR 88 -18.774 -13.369 2.687 679 HG1 THR 88 HG1 THR 88 -17.728 -14.471 1.229 680 1HG2 THR 88 HG21 THR 88 -18.239 -10.667 1.950 681 2HG2 THR 88 HG22 THR 88 -19.763 -11.555 1.913 682 3HG2 THR 88 HG23 THR 88 -18.685 -11.594 0.518 683 H LYS 89 HN LYS 89 -16.400 -9.993 3.651 684 HA LYS 89 HA LYS 89 -18.178 -9.937 5.994 685 1HB LYS 89 HB2 LYS 89 -15.342 -9.177 5.702 686 2HB LYS 89 HB1 LYS 89 -16.341 -8.025 6.574 687 1HG LYS 89 HG2 LYS 89 -16.547 -10.888 7.325 688 2HG LYS 89 HG1 LYS 89 -15.094 -10.003 7.795 689 1HD LYS 89 HD2 LYS 89 -17.651 -8.627 8.303 690 2HD LYS 89 HD1 LYS 89 -17.360 -10.078 9.264 691 1HE LYS 89 HE2 LYS 89 -15.208 -8.025 8.994 692 2HE LYS 89 HE1 LYS 89 -16.542 -7.744 10.113 693 1HZ LYS 89 HZ1 LYS 89 -14.854 -10.184 10.140 694 2HZ LYS 89 HZ2 LYS 89 -16.000 -9.723 11.293 695 3HZ LYS 89 HZ3 LYS 89 -14.573 -8.834 11.120 696 H VAL 90 HN VAL 90 -19.351 -8.094 6.336 697 HA VAL 90 HA VAL 90 -19.328 -6.104 4.160 698 HB VAL 90 HB VAL 90 -21.738 -6.934 5.776 699 1HG1 VAL 90 HG11 VAL 90 -21.220 -4.941 3.650 700 2HG1 VAL 90 HG12 VAL 90 -22.352 -4.893 5.000 701 3HG1 VAL 90 HG13 VAL 90 -22.737 -5.834 3.560 702 1HG2 VAL 90 HG21 VAL 90 -20.832 -7.818 3.041 703 2HG2 VAL 90 HG22 VAL 90 -22.466 -8.056 3.664 704 3HG2 VAL 90 HG23 VAL 90 -21.095 -8.825 4.466 705 H GLY 91 HN GLY 91 -19.620 -3.919 4.697 706 1HA GLY 91 HA2 GLY 91 -19.766 -2.067 6.053 707 2HA GLY 91 HA1 GLY 91 -20.158 -3.122 7.395 708 H ALA 92 HN ALA 92 -18.520 -0.892 7.613 709 HA ALA 92 HA ALA 92 -15.766 -1.454 7.437 710 1HB ALA 92 HB1 ALA 92 -15.738 0.411 9.310 711 2HB ALA 92 HB2 ALA 92 -17.421 0.595 8.814 712 3HB ALA 92 HB3 ALA 92 -16.127 0.791 7.631 713 H LEU 93 HN LEU 93 -14.389 -1.239 9.552 714 HA LEU 93 HA LEU 93 -15.337 -2.483 11.913 715 1HB LEU 93 HB2 LEU 93 -13.786 -4.531 11.603 716 2HB LEU 93 HB1 LEU 93 -15.387 -4.550 10.888 717 HG LEU 93 HG LEU 93 -13.204 -3.556 9.153 718 1HD1 LEU 93 HD11 LEU 93 -12.760 -6.033 8.568 719 2HD1 LEU 93 HD12 LEU 93 -13.339 -6.354 10.204 720 3HD1 LEU 93 HD13 LEU 93 -11.932 -5.320 9.953 721 1HD2 LEU 93 HD21 LEU 93 -14.595 -5.403 7.759 722 2HD2 LEU 93 HD22 LEU 93 -15.059 -3.707 7.885 723 3HD2 LEU 93 HD23 LEU 93 -15.810 -4.907 8.937 724 H SER 94 HN SER 94 -13.706 -2.639 13.549 725 HA SER 94 HA SER 94 -11.715 -0.642 13.348 726 1HB SER 94 HB2 SER 94 -12.931 -1.609 15.454 727 2HB SER 94 HB1 SER 94 -11.609 -2.777 15.451 728 HG SER 94 HG SER 94 -11.144 -0.927 16.728 729 H LYS 95 HN LYS 95 -9.398 -1.305 14.251 730 HA LYS 95 HA LYS 95 -8.181 -2.788 12.140 731 1HB LYS 95 HB2 LYS 95 -7.084 -0.847 13.171 732 2HB LYS 95 HB1 LYS 95 -6.982 -1.714 14.699 733 1HG LYS 95 HG2 LYS 95 -5.244 -2.997 14.017 734 2HG LYS 95 HG1 LYS 95 -5.781 -3.025 12.335 735 1HD LYS 95 HD2 LYS 95 -5.050 -0.692 12.080 736 2HD LYS 95 HD1 LYS 95 -4.484 -0.697 13.750 737 1HE LYS 95 HE2 LYS 95 -3.000 -2.637 13.110 738 2HE LYS 95 HE1 LYS 95 -3.433 -2.305 11.434 739 1HZ LYS 95 HZ1 LYS 95 -2.560 -0.049 11.724 740 2HZ LYS 95 HZ2 LYS 95 -1.371 -1.222 11.983 741 3HZ LYS 95 HZ3 LYS 95 -2.080 -0.433 13.301 742 H GLY 96 HN GLY 96 -9.160 -3.505 15.408 743 1HA GLY 96 HA2 GLY 96 -7.578 -5.879 15.631 744 2HA GLY 96 HA1 GLY 96 -8.857 -5.374 16.719 745 H GLN 97 HN GLN 97 -10.846 -5.184 14.550 746 HA GLN 97 HA GLN 97 -11.636 -7.945 14.580 747 1HB GLN 97 HB2 GLN 97 -12.971 -5.746 13.016 748 2HB GLN 97 HB1 GLN 97 -13.678 -7.238 13.616 749 1HG GLN 97 HG2 GLN 97 -13.597 -6.471 15.863 750 2HG GLN 97 HG1 GLN 97 -12.623 -5.072 15.412 751 1HE2 GLN 97 HE21 GLN 97 -14.873 -4.677 16.851 752 2HE2 GLN 97 HE22 GLN 97 -16.094 -3.947 15.874 753 H LEU 98 HN LEU 98 -10.224 -5.739 12.281 754 HA LEU 98 HA LEU 98 -10.650 -7.406 10.003 755 1HB LEU 98 HB2 LEU 98 -9.752 -4.820 10.378 756 2HB LEU 98 HB1 LEU 98 -8.309 -5.665 9.848 757 HG LEU 98 HG LEU 98 -10.790 -6.124 8.288 758 1HD1 LEU 98 HD11 LEU 98 -10.240 -4.070 6.932 759 2HD1 LEU 98 HD12 LEU 98 -9.275 -3.531 8.306 760 3HD1 LEU 98 HD13 LEU 98 -11.010 -3.788 8.493 761 1HD2 LEU 98 HD21 LEU 98 -7.866 -6.204 7.918 762 2HD2 LEU 98 HD22 LEU 98 -8.812 -5.675 6.526 763 3HD2 LEU 98 HD23 LEU 98 -9.127 -7.248 7.260 764 H LYS 99 HN LYS 99 -7.845 -6.755 12.077 765 HA LYS 99 HA LYS 99 -6.124 -8.638 10.897 766 1HB LYS 99 HB2 LYS 99 -5.810 -6.702 12.758 767 2HB LYS 99 HB1 LYS 99 -5.798 -8.124 13.792 768 1HG LYS 99 HG2 LYS 99 -3.858 -8.952 12.864 769 2HG LYS 99 HG1 LYS 99 -4.071 -8.052 11.359 770 1HD LYS 99 HD2 LYS 99 -2.331 -6.930 12.442 771 2HD LYS 99 HD1 LYS 99 -3.756 -5.952 12.804 772 1HE LYS 99 HE2 LYS 99 -2.997 -8.127 14.690 773 2HE LYS 99 HE1 LYS 99 -2.045 -6.641 14.689 774 1HZ LYS 99 HZ1 LYS 99 -4.842 -7.056 15.457 775 2HZ LYS 99 HZ2 LYS 99 -4.411 -5.562 14.793 776 3HZ LYS 99 HZ3 LYS 99 -3.648 -6.113 16.198 777 H GLU 100 HN GLU 100 -8.343 -8.897 13.663 778 HA GLU 100 HA GLU 100 -7.603 -11.513 14.405 779 1HB GLU 100 HB2 GLU 100 -9.521 -11.571 15.780 780 2HB GLU 100 HB1 GLU 100 -9.000 -9.894 15.775 781 1HG GLU 100 HG2 GLU 100 -11.272 -9.704 15.551 782 2HG GLU 100 HG1 GLU 100 -10.732 -9.622 13.877 783 H PHE 101 HN PHE 101 -10.063 -10.309 12.150 784 HA PHE 101 HA PHE 101 -11.209 -12.800 11.510 785 1HB PHE 101 HB2 PHE 101 -12.235 -10.613 10.953 786 2HB PHE 101 HB1 PHE 101 -10.953 -10.321 9.785 787 HD1 PHE 101 HD1 PHE 101 -13.147 -13.252 10.531 788 HD2 PHE 101 HD2 PHE 101 -11.753 -10.447 7.648 789 HE1 PHE 101 HE1 PHE 101 -14.471 -14.385 8.795 790 HE2 PHE 101 HE2 PHE 101 -13.075 -11.578 5.905 791 HZ PHE 101 HZ PHE 101 -14.436 -13.549 6.479 792 H LEU 102 HN LEU 102 -8.460 -11.014 10.245 793 HA LEU 102 HA LEU 102 -7.921 -12.697 8.038 794 1HB LEU 102 HB2 LEU 102 -6.628 -10.473 9.420 795 2HB LEU 102 HB1 LEU 102 -5.475 -11.642 8.799 796 HG LEU 102 HG LEU 102 -7.608 -10.290 7.147 797 1HD1 LEU 102 HD11 LEU 102 -5.985 -8.830 6.322 798 2HD1 LEU 102 HD12 LEU 102 -4.658 -9.778 6.992 799 3HD1 LEU 102 HD13 LEU 102 -5.705 -8.847 8.063 800 1HD2 LEU 102 HD21 LEU 102 -5.597 -12.402 6.625 801 2HD2 LEU 102 HD22 LEU 102 -5.859 -11.195 5.367 802 3HD2 LEU 102 HD23 LEU 102 -7.207 -12.174 5.944 803 H ASP 103 HN ASP 103 -6.216 -12.442 11.162 804 HA ASP 103 HA ASP 103 -4.563 -14.622 10.963 805 1HB ASP 103 HB2 ASP 103 -5.017 -12.855 12.911 806 2HB ASP 103 HB1 ASP 103 -5.915 -14.211 13.586 807 H ALA 104 HN ALA 104 -7.996 -14.565 11.628 808 HA ALA 104 HA ALA 104 -8.228 -17.269 12.486 809 1HB ALA 104 HB1 ALA 104 -9.861 -15.228 12.741 810 2HB ALA 104 HB2 ALA 104 -10.475 -16.879 12.662 811 3HB ALA 104 HB3 ALA 104 -10.522 -15.850 11.229 812 H ASN 105 HN ASN 105 -8.118 -15.730 9.360 813 HA ASN 105 HA ASN 105 -8.931 -18.250 8.074 814 1HB ASN 105 HB2 ASN 105 -9.894 -15.805 7.561 815 2HB ASN 105 HB1 ASN 105 -8.521 -15.785 6.457 816 1HD2 ASN 105 HD21 ASN 105 -9.813 -15.797 4.628 817 2HD2 ASN 105 HD22 ASN 105 -10.712 -17.188 4.136 818 H LEU 106 HN LEU 106 -6.263 -16.067 8.493 819 HA LEU 106 HA LEU 106 -4.675 -17.032 6.325 820 1HB LEU 106 HB2 LEU 106 -4.513 -14.822 7.682 821 2HB LEU 106 HB1 LEU 106 -3.564 -15.772 8.806 822 HG LEU 106 HG LEU 106 -2.900 -15.208 5.918 823 1HD1 LEU 106 HD11 LEU 106 -2.435 -13.314 7.273 824 2HD1 LEU 106 HD12 LEU 106 -0.900 -14.133 6.986 825 3HD1 LEU 106 HD13 LEU 106 -1.720 -14.313 8.538 826 1HD2 LEU 106 HD21 LEU 106 -1.741 -17.129 7.890 827 2HD2 LEU 106 HD22 LEU 106 -0.684 -16.330 6.726 828 3HD2 LEU 106 HD23 LEU 106 -2.024 -17.326 6.159 829 H VAL 107 HN VAL 107 -5.009 -17.822 9.727 830 HA VAL 107 HA VAL 107 -4.030 -19.404 11.057 831 HB VAL 107 HB VAL 107 -4.309 -21.674 10.236 832 1HG1 VAL 107 HG11 VAL 107 -6.358 -20.926 10.922 833 2HG1 VAL 107 HG12 VAL 107 -6.722 -21.278 9.233 834 3HG1 VAL 107 HG13 VAL 107 -6.400 -19.619 9.740 835 1HG2 VAL 107 HG21 VAL 107 -3.373 -21.269 7.964 836 2HG2 VAL 107 HG22 VAL 107 -4.883 -20.467 7.530 837 3HG2 VAL 107 HG23 VAL 107 -4.884 -22.179 7.955 Start of MODEL 20 1 1H MET 1 HT1 MET 1 2.368 -7.291 -1.985 2 2H MET 1 HT2 MET 1 2.291 -6.217 -0.648 3 3H MET 1 HT3 MET 1 3.799 -6.556 -1.392 4 HA MET 1 HA MET 1 2.852 -4.392 -1.959 5 1HB MET 1 HB2 MET 1 4.481 -5.727 -3.340 6 2HB MET 1 HB1 MET 1 3.114 -6.332 -4.265 7 1HG MET 1 HG2 MET 1 2.612 -3.770 -4.571 8 2HG MET 1 HG1 MET 1 4.335 -3.625 -4.225 9 1HE MET 1 HE1 MET 1 6.167 -4.127 -5.703 10 2HE MET 1 HE2 MET 1 6.120 -5.058 -7.200 11 3HE MET 1 HE3 MET 1 5.919 -5.872 -5.650 12 H VAL 2 HN VAL 2 0.873 -3.551 -1.804 13 HA VAL 2 HA VAL 2 -1.498 -4.894 -2.618 14 HB VAL 2 HB VAL 2 -1.106 -1.962 -1.982 15 1HG1 VAL 2 HG11 VAL 2 -3.320 -3.148 -3.087 16 2HG1 VAL 2 HG12 VAL 2 -3.318 -1.656 -2.153 17 3HG1 VAL 2 HG13 VAL 2 -3.684 -3.190 -1.363 18 1HG2 VAL 2 HG21 VAL 2 -0.618 -2.708 0.069 19 2HG2 VAL 2 HG22 VAL 2 -1.158 -4.345 -0.302 20 3HG2 VAL 2 HG23 VAL 2 -2.329 -3.120 0.187 21 H LYS 3 HN LYS 3 -2.847 -4.504 -4.389 22 HA LYS 3 HA LYS 3 -1.878 -2.654 -6.433 23 1HB LYS 3 HB2 LYS 3 -2.277 -4.495 -8.161 24 2HB LYS 3 HB1 LYS 3 -0.815 -4.619 -7.192 25 1HG LYS 3 HG2 LYS 3 -2.721 -6.044 -5.754 26 2HG LYS 3 HG1 LYS 3 -3.031 -6.456 -7.442 27 1HD LYS 3 HD2 LYS 3 -0.782 -7.201 -7.750 28 2HD LYS 3 HD1 LYS 3 -0.297 -6.567 -6.177 29 1HE LYS 3 HE2 LYS 3 -0.641 -8.653 -5.440 30 2HE LYS 3 HE1 LYS 3 -2.352 -8.239 -5.510 31 1HZ LYS 3 HZ1 LYS 3 -2.421 -10.071 -6.795 32 2HZ LYS 3 HZ2 LYS 3 -0.792 -9.976 -7.239 33 3HZ LYS 3 HZ3 LYS 3 -1.938 -9.006 -8.018 34 H GLN 4 HN GLN 4 -3.510 -1.454 -7.061 35 HA GLN 4 HA GLN 4 -6.199 -2.123 -6.376 36 1HB GLN 4 HB2 GLN 4 -5.442 0.193 -6.323 37 2HB GLN 4 HB1 GLN 4 -5.077 0.142 -8.042 38 1HG GLN 4 HG2 GLN 4 -7.143 0.743 -8.542 39 2HG GLN 4 HG1 GLN 4 -7.799 -0.620 -7.636 40 1HE2 GLN 4 HE21 GLN 4 -8.940 -0.197 -5.875 41 2HE2 GLN 4 HE22 GLN 4 -9.018 1.328 -5.064 42 H ILE 5 HN ILE 5 -7.692 -3.114 -7.585 43 HA ILE 5 HA ILE 5 -6.982 -3.852 -10.338 44 HB ILE 5 HB ILE 5 -8.521 -5.163 -8.171 45 1HG1 ILE 5 HG12 ILE 5 -7.356 -7.084 -8.847 46 2HG1 ILE 5 HG11 ILE 5 -7.107 -6.473 -10.478 47 1HG2 ILE 5 HG21 ILE 5 -9.335 -5.380 -11.054 48 2HG2 ILE 5 HG22 ILE 5 -10.347 -5.022 -9.654 49 3HG2 ILE 5 HG23 ILE 5 -9.674 -6.639 -9.866 50 1HD1 ILE 5 HD11 ILE 5 -5.844 -4.961 -8.275 51 2HD1 ILE 5 HD12 ILE 5 -5.258 -5.309 -9.901 52 3HD1 ILE 5 HD13 ILE 5 -5.184 -6.552 -8.651 53 H GLU 6 HN GLU 6 -7.749 -2.458 -11.782 54 HA GLU 6 HA GLU 6 -10.342 -1.182 -11.339 55 1HB GLU 6 HB2 GLU 6 -7.920 -0.489 -12.924 56 2HB GLU 6 HB1 GLU 6 -9.474 0.078 -13.520 57 1HG GLU 6 HG2 GLU 6 -9.878 1.306 -11.518 58 2HG GLU 6 HG1 GLU 6 -8.473 0.590 -10.731 59 H SER 7 HN SER 7 -9.842 -4.008 -12.374 60 HA SER 7 HA SER 7 -11.845 -3.864 -14.452 61 1HB SER 7 HB2 SER 7 -8.997 -4.519 -14.996 62 2HB SER 7 HB1 SER 7 -10.222 -5.483 -15.821 63 HG SER 7 HG SER 7 -10.750 -3.808 -16.999 64 H LYS 8 HN LYS 8 -12.656 -6.013 -15.077 65 HA LYS 8 HA LYS 8 -12.884 -7.718 -12.796 66 1HB LYS 8 HB2 LYS 8 -14.759 -7.360 -14.349 67 2HB LYS 8 HB1 LYS 8 -13.843 -8.136 -15.635 68 1HG LYS 8 HG2 LYS 8 -13.791 -10.037 -13.679 69 2HG LYS 8 HG1 LYS 8 -15.379 -9.308 -13.445 70 1HD LYS 8 HD2 LYS 8 -15.968 -10.828 -15.022 71 2HD LYS 8 HD1 LYS 8 -15.404 -9.560 -16.114 72 1HE LYS 8 HE2 LYS 8 -13.647 -10.773 -16.798 73 2HE LYS 8 HE1 LYS 8 -13.277 -11.324 -15.165 74 1HZ LYS 8 HZ1 LYS 8 -14.170 -12.933 -17.063 75 2HZ LYS 8 HZ2 LYS 8 -15.654 -12.455 -16.407 76 3HZ LYS 8 HZ3 LYS 8 -14.493 -13.190 -15.422 77 H THR 9 HN THR 9 -10.927 -7.669 -15.659 78 HA THR 9 HA THR 9 -10.124 -10.430 -15.475 79 HB THR 9 HB THR 9 -8.730 -8.254 -17.027 80 HG1 THR 9 HG1 THR 9 -11.011 -9.767 -17.760 81 1HG2 THR 9 HG21 THR 9 -7.852 -10.702 -16.798 82 2HG2 THR 9 HG22 THR 9 -7.842 -9.886 -18.361 83 3HG2 THR 9 HG23 THR 9 -9.116 -11.044 -17.978 84 H ALA 10 HN ALA 10 -8.964 -7.340 -14.345 85 HA ALA 10 HA ALA 10 -6.332 -8.125 -13.693 86 1HB ALA 10 HB1 ALA 10 -6.289 -6.114 -12.283 87 2HB ALA 10 HB2 ALA 10 -8.033 -5.942 -12.486 88 3HB ALA 10 HB3 ALA 10 -6.962 -5.781 -13.879 89 H PHE 11 HN PHE 11 -9.372 -8.199 -11.878 90 HA PHE 11 HA PHE 11 -8.348 -8.880 -9.359 91 1HB PHE 11 HB2 PHE 11 -10.785 -8.331 -10.096 92 2HB PHE 11 HB1 PHE 11 -10.913 -10.053 -10.432 93 HD1 PHE 11 HD1 PHE 11 -9.256 -8.202 -7.660 94 HD2 PHE 11 HD2 PHE 11 -12.261 -10.989 -8.805 95 HE1 PHE 11 HE1 PHE 11 -9.771 -8.610 -5.293 96 HE2 PHE 11 HE2 PHE 11 -12.777 -11.408 -6.435 97 HZ PHE 11 HZ PHE 11 -11.530 -10.218 -4.676 98 H GLN 12 HN GLN 12 -9.217 -10.883 -12.130 99 HA GLN 12 HA GLN 12 -8.665 -13.388 -10.918 100 1HB GLN 12 HB2 GLN 12 -8.555 -12.665 -13.857 101 2HB GLN 12 HB1 GLN 12 -8.704 -14.284 -13.186 102 1HG GLN 12 HG2 GLN 12 -10.776 -12.409 -12.310 103 2HG GLN 12 HG1 GLN 12 -10.774 -12.749 -14.038 104 1HE2 GLN 12 HE21 GLN 12 -9.981 -14.804 -11.269 105 2HE2 GLN 12 HE22 GLN 12 -11.173 -16.008 -11.599 106 H GLU 13 HN GLU 13 -6.780 -11.216 -12.988 107 HA GLU 13 HA GLU 13 -4.469 -12.767 -13.199 108 1HB GLU 13 HB2 GLU 13 -5.063 -9.849 -13.476 109 2HB GLU 13 HB1 GLU 13 -3.391 -10.397 -13.503 110 1HG GLU 13 HG2 GLU 13 -3.680 -11.594 -15.468 111 2HG GLU 13 HG1 GLU 13 -5.433 -11.654 -15.287 112 H ALA 14 HN ALA 14 -5.339 -10.263 -10.825 113 HA ALA 14 HA ALA 14 -2.884 -10.302 -9.438 114 1HB ALA 14 HB1 ALA 14 -5.607 -9.265 -8.911 115 2HB ALA 14 HB2 ALA 14 -4.050 -8.442 -8.854 116 3HB ALA 14 HB3 ALA 14 -4.546 -9.484 -7.520 117 H LEU 15 HN LEU 15 -5.808 -12.214 -9.201 118 HA LEU 15 HA LEU 15 -5.202 -13.482 -6.733 119 1HB LEU 15 HB2 LEU 15 -7.070 -14.064 -9.003 120 2HB LEU 15 HB1 LEU 15 -6.830 -15.260 -7.745 121 HG LEU 15 HG LEU 15 -7.670 -12.430 -7.134 122 1HD1 LEU 15 HD11 LEU 15 -9.623 -14.674 -7.160 123 2HD1 LEU 15 HD12 LEU 15 -9.212 -13.890 -8.686 124 3HD1 LEU 15 HD13 LEU 15 -9.885 -12.941 -7.360 125 1HD2 LEU 15 HD21 LEU 15 -6.677 -13.848 -5.333 126 2HD2 LEU 15 HD22 LEU 15 -8.010 -14.979 -5.562 127 3HD2 LEU 15 HD23 LEU 15 -8.334 -13.332 -5.022 128 H ASP 16 HN ASP 16 -4.453 -14.189 -10.096 129 HA ASP 16 HA ASP 16 -3.489 -16.809 -9.780 130 1HB ASP 16 HB2 ASP 16 -3.882 -15.206 -11.915 131 2HB ASP 16 HB1 ASP 16 -2.135 -15.063 -11.763 132 H ALA 17 HN ALA 17 -1.999 -13.665 -9.296 133 HA ALA 17 HA ALA 17 0.649 -14.703 -8.902 134 1HB ALA 17 HB1 ALA 17 -0.609 -12.012 -8.460 135 2HB ALA 17 HB2 ALA 17 0.562 -12.489 -9.688 136 3HB ALA 17 HB3 ALA 17 1.057 -12.357 -7.999 137 H ALA 18 HN ALA 18 -2.163 -14.277 -6.954 138 HA ALA 18 HA ALA 18 -0.905 -14.079 -4.415 139 1HB ALA 18 HB1 ALA 18 -3.658 -15.182 -4.933 140 2HB ALA 18 HB2 ALA 18 -3.286 -13.458 -4.941 141 3HB ALA 18 HB3 ALA 18 -3.052 -14.403 -3.471 142 H GLY 19 HN GLY 19 -1.828 -16.844 -6.463 143 1HA GLY 19 HA2 GLY 19 -1.409 -19.059 -6.221 144 2HA GLY 19 HA1 GLY 19 -0.029 -18.568 -5.249 145 H ASP 20 HN ASP 20 0.000 -19.619 -3.390 146 HA ASP 20 HA ASP 20 -2.505 -20.514 -2.208 147 1HB ASP 20 HB2 ASP 20 -0.618 -22.104 -2.423 148 2HB ASP 20 HB1 ASP 20 0.330 -21.092 -1.338 149 H LYS 21 HN LYS 21 -0.971 -17.688 -2.102 150 HA LYS 21 HA LYS 21 -0.812 -17.277 0.726 151 1HB LYS 21 HB2 LYS 21 -0.792 -15.285 -1.554 152 2HB LYS 21 HB1 LYS 21 -0.409 -14.925 0.124 153 1HG LYS 21 HG2 LYS 21 1.629 -15.958 0.032 154 2HG LYS 21 HG1 LYS 21 1.141 -17.045 -1.271 155 1HD LYS 21 HD2 LYS 21 1.388 -15.383 -2.904 156 2HD LYS 21 HD1 LYS 21 1.379 -14.084 -1.710 157 1HE LYS 21 HE2 LYS 21 3.568 -14.409 -1.136 158 2HE LYS 21 HE1 LYS 21 3.530 -16.126 -1.534 159 1HZ LYS 21 HZ1 LYS 21 3.312 -15.313 -3.934 160 2HZ LYS 21 HZ2 LYS 21 4.827 -15.198 -3.195 161 3HZ LYS 21 HZ3 LYS 21 3.855 -13.822 -3.348 162 H LEU 22 HN LEU 22 -2.233 -15.946 1.934 163 HA LEU 22 HA LEU 22 -4.983 -16.183 1.122 164 1HB LEU 22 HB2 LEU 22 -4.472 -16.553 3.430 165 2HB LEU 22 HB1 LEU 22 -3.635 -15.019 3.555 166 HG LEU 22 HG LEU 22 -5.647 -13.792 3.564 167 1HD1 LEU 22 HD11 LEU 22 -7.209 -14.417 2.101 168 2HD1 LEU 22 HD12 LEU 22 -7.795 -15.486 3.376 169 3HD1 LEU 22 HD13 LEU 22 -6.699 -16.104 2.140 170 1HD2 LEU 22 HD21 LEU 22 -6.362 -16.273 5.102 171 2HD2 LEU 22 HD22 LEU 22 -6.752 -14.594 5.484 172 3HD2 LEU 22 HD23 LEU 22 -5.089 -15.165 5.616 173 H VAL 23 HN VAL 23 -6.255 -14.602 0.282 174 HA VAL 23 HA VAL 23 -4.972 -11.985 -0.100 175 HB VAL 23 HB VAL 23 -7.144 -13.092 -1.855 176 1HG1 VAL 23 HG11 VAL 23 -5.518 -10.658 -1.760 177 2HG1 VAL 23 HG12 VAL 23 -7.086 -10.946 -2.513 178 3HG1 VAL 23 HG13 VAL 23 -5.606 -11.413 -3.350 179 1HG2 VAL 23 HG21 VAL 23 -4.237 -13.658 -1.847 180 2HG2 VAL 23 HG22 VAL 23 -4.986 -13.339 -3.411 181 3HG2 VAL 23 HG23 VAL 23 -5.583 -14.655 -2.398 182 H VAL 24 HN VAL 24 -5.737 -10.548 1.233 183 HA VAL 24 HA VAL 24 -8.597 -10.571 1.889 184 HB VAL 24 HB VAL 24 -7.117 -10.571 3.844 185 1HG1 VAL 24 HG11 VAL 24 -6.050 -7.931 3.737 186 2HG1 VAL 24 HG12 VAL 24 -5.558 -8.806 2.288 187 3HG1 VAL 24 HG13 VAL 24 -5.200 -9.470 3.880 188 1HG2 VAL 24 HG21 VAL 24 -9.299 -9.151 3.638 189 2HG2 VAL 24 HG22 VAL 24 -8.187 -7.788 3.768 190 3HG2 VAL 24 HG23 VAL 24 -8.263 -8.989 5.056 191 H VAL 25 HN VAL 25 -9.767 -9.308 0.632 192 HA VAL 25 HA VAL 25 -8.543 -6.826 -0.376 193 HB VAL 25 HB VAL 25 -10.206 -7.133 -2.327 194 1HG1 VAL 25 HG11 VAL 25 -8.561 -8.155 -3.604 195 2HG1 VAL 25 HG12 VAL 25 -8.050 -9.208 -2.286 196 3HG1 VAL 25 HG13 VAL 25 -7.647 -7.492 -2.250 197 1HG2 VAL 25 HG21 VAL 25 -11.305 -9.087 -1.053 198 2HG2 VAL 25 HG22 VAL 25 -9.947 -10.035 -1.659 199 3HG2 VAL 25 HG23 VAL 25 -11.046 -9.244 -2.790 200 H ASP 26 HN ASP 26 -10.156 -5.168 -1.035 201 HA ASP 26 HA ASP 26 -12.552 -5.213 0.663 202 1HB ASP 26 HB2 ASP 26 -10.684 -3.964 1.771 203 2HB ASP 26 HB1 ASP 26 -10.701 -2.838 0.418 204 H PHE 27 HN PHE 27 -14.352 -4.436 -0.252 205 HA PHE 27 HA PHE 27 -14.153 -3.317 -2.967 206 1HB PHE 27 HB2 PHE 27 -16.250 -4.829 -1.476 207 2HB PHE 27 HB1 PHE 27 -16.788 -3.655 -2.675 208 HD1 PHE 27 HD1 PHE 27 -14.594 -6.612 -2.214 209 HD2 PHE 27 HD2 PHE 27 -16.751 -4.172 -4.959 210 HE1 PHE 27 HE1 PHE 27 -14.120 -8.223 -4.016 211 HE2 PHE 27 HE2 PHE 27 -16.287 -5.785 -6.761 212 HZ PHE 27 HZ PHE 27 -14.968 -7.810 -6.290 213 H SER 28 HN SER 28 -14.033 -1.131 -2.945 214 HA SER 28 HA SER 28 -15.701 0.329 -0.994 215 1HB SER 28 HB2 SER 28 -13.996 1.987 -0.784 216 2HB SER 28 HB1 SER 28 -13.199 0.423 -0.632 217 HG SER 28 HG SER 28 -11.964 1.192 -2.155 218 H ALA 29 HN ALA 29 -15.330 2.868 -1.900 219 HA ALA 29 HA ALA 29 -16.018 3.025 -4.710 220 1HB ALA 29 HB1 ALA 29 -18.077 2.818 -2.811 221 2HB ALA 29 HB2 ALA 29 -18.225 3.262 -4.510 222 3HB ALA 29 HB3 ALA 29 -18.026 4.516 -3.287 223 H THR 30 HN THR 30 -15.935 5.227 -5.520 224 HA THR 30 HA THR 30 -14.033 6.853 -4.128 225 HB THR 30 HB THR 30 -15.712 7.840 -6.417 226 HG1 THR 30 HG1 THR 30 -14.252 6.762 -7.816 227 1HG2 THR 30 HG21 THR 30 -13.261 8.653 -5.170 228 2HG2 THR 30 HG22 THR 30 -14.223 9.469 -6.402 229 3HG2 THR 30 HG23 THR 30 -13.001 8.291 -6.875 230 H TRP 31 HN TRP 31 -17.476 6.850 -4.665 231 HA TRP 31 HA TRP 31 -17.940 9.379 -3.314 232 1HB TRP 31 HB2 TRP 31 -20.278 8.974 -3.879 233 2HB TRP 31 HB1 TRP 31 -19.270 8.658 -5.291 234 HD1 TRP 31 HD1 TRP 31 -18.910 6.027 -5.963 235 HE1 TRP 31 HE1 TRP 31 -20.367 3.949 -5.473 236 HE3 TRP 31 HE3 TRP 31 -21.894 7.944 -2.275 237 HZ2 TRP 31 HZ2 TRP 31 -22.489 3.237 -3.800 238 HZ3 TRP 31 HZ3 TRP 31 -23.617 6.491 -1.285 239 HH2 TRP 31 HH2 TRP 31 -23.905 4.185 -2.035 240 H CYS 32 HN CYS 32 -17.037 6.590 -2.024 241 HA CYS 32 HA CYS 32 -19.145 6.355 -0.032 242 1HB CYS 32 HB2 CYS 32 -18.061 4.322 -1.080 243 2HB CYS 32 HB1 CYS 32 -16.605 4.734 -0.178 244 H GLY 33 HN GLY 33 -18.724 6.349 2.228 245 1HA GLY 33 HA2 GLY 33 -16.620 8.278 2.956 246 2HA GLY 33 HA1 GLY 33 -18.102 8.007 3.860 247 HA PRO 34 HA PRO 34 -16.238 5.197 6.686 248 1HB PRO 34 HB2 PRO 34 -17.724 2.860 6.279 249 2HB PRO 34 HB1 PRO 34 -18.130 4.167 7.395 250 1HG PRO 34 HG2 PRO 34 -19.141 3.643 4.637 251 2HG PRO 34 HG1 PRO 34 -20.008 4.270 6.053 252 1HD PRO 34 HD2 PRO 34 -19.250 5.895 4.073 253 2HD PRO 34 HD1 PRO 34 -19.159 6.421 5.769 254 H CYS 35 HN CYS 35 -16.655 4.151 3.375 255 HA CYS 35 HA CYS 35 -15.080 1.829 3.419 256 1HB CYS 35 HB2 CYS 35 -15.442 3.818 1.164 257 2HB CYS 35 HB1 CYS 35 -14.821 2.181 0.991 258 H LYS 36 HN LYS 36 -14.247 5.218 2.948 259 HA LYS 36 HA LYS 36 -11.490 4.803 2.420 260 1HB LYS 36 HB2 LYS 36 -12.893 7.272 3.459 261 2HB LYS 36 HB1 LYS 36 -11.281 7.219 2.756 262 1HG LYS 36 HG2 LYS 36 -12.213 6.522 0.622 263 2HG LYS 36 HG1 LYS 36 -13.833 6.513 1.320 264 1HD LYS 36 HD2 LYS 36 -12.035 8.921 1.042 265 2HD LYS 36 HD1 LYS 36 -13.435 8.550 0.033 266 1HE LYS 36 HE2 LYS 36 -14.629 8.454 2.404 267 2HE LYS 36 HE1 LYS 36 -13.307 9.540 2.829 268 1HZ LYS 36 HZ1 LYS 36 -14.053 10.755 0.671 269 2HZ LYS 36 HZ2 LYS 36 -14.897 11.005 2.115 270 3HZ LYS 36 HZ3 LYS 36 -15.519 9.956 0.943 271 H MET 37 HN MET 37 -13.327 4.634 5.265 272 HA MET 37 HA MET 37 -11.334 5.487 7.128 273 1HB MET 37 HB2 MET 37 -13.755 3.739 7.594 274 2HB MET 37 HB1 MET 37 -12.797 4.533 8.837 275 1HG MET 37 HG2 MET 37 -14.331 5.966 6.684 276 2HG MET 37 HG1 MET 37 -14.914 5.693 8.325 277 1HE MET 37 HE1 MET 37 -14.467 7.264 10.269 278 2HE MET 37 HE2 MET 37 -15.331 8.098 8.977 279 3HE MET 37 HE3 MET 37 -14.023 8.915 9.835 280 H ILE 38 HN ILE 38 -12.070 2.474 5.528 281 HA ILE 38 HA ILE 38 -10.443 0.884 7.324 282 HB ILE 38 HB ILE 38 -11.471 0.042 4.625 283 1HG1 ILE 38 HG12 ILE 38 -13.282 0.993 6.152 284 2HG1 ILE 38 HG11 ILE 38 -13.527 -0.645 5.564 285 1HG2 ILE 38 HG21 ILE 38 -11.491 -2.197 5.795 286 2HG2 ILE 38 HG22 ILE 38 -10.576 -1.422 7.088 287 3HG2 ILE 38 HG23 ILE 38 -9.907 -1.500 5.457 288 1HD1 ILE 38 HD11 ILE 38 -13.883 0.064 8.104 289 2HD1 ILE 38 HD12 ILE 38 -12.175 -0.373 8.173 290 3HD1 ILE 38 HD13 ILE 38 -13.366 -1.551 7.621 291 H LYS 39 HN LYS 39 -10.035 2.648 4.366 292 HA LYS 39 HA LYS 39 -7.974 1.350 3.115 293 1HB LYS 39 HB2 LYS 39 -9.170 3.890 2.939 294 2HB LYS 39 HB1 LYS 39 -7.439 4.180 3.071 295 1HG LYS 39 HG2 LYS 39 -6.967 3.096 1.093 296 2HG LYS 39 HG1 LYS 39 -8.441 2.131 1.148 297 1HD LYS 39 HD2 LYS 39 -9.670 4.375 0.861 298 2HD LYS 39 HD1 LYS 39 -8.100 5.006 0.358 299 1HE LYS 39 HE2 LYS 39 -9.217 4.369 -1.627 300 2HE LYS 39 HE1 LYS 39 -8.019 3.115 -1.316 301 1HZ LYS 39 HZ1 LYS 39 -10.165 2.188 -1.961 302 2HZ LYS 39 HZ2 LYS 39 -10.903 2.932 -0.634 303 3HZ LYS 39 HZ3 LYS 39 -9.748 1.722 -0.389 304 HA PRO 40 HA PRO 40 -4.774 3.944 5.875 305 1HB PRO 40 HB2 PRO 40 -6.462 3.922 8.330 306 2HB PRO 40 HB1 PRO 40 -5.314 5.141 7.765 307 1HG PRO 40 HG2 PRO 40 -7.941 5.527 7.542 308 2HG PRO 40 HG1 PRO 40 -6.825 6.062 6.273 309 1HD PRO 40 HD2 PRO 40 -8.680 3.730 6.310 310 2HD PRO 40 HD1 PRO 40 -8.173 4.749 4.947 311 H PHE 41 HN PHE 41 -6.975 1.766 7.660 312 HA PHE 41 HA PHE 41 -4.792 0.425 8.951 313 1HB PHE 41 HB2 PHE 41 -7.647 -0.526 8.838 314 2HB PHE 41 HB1 PHE 41 -6.451 -0.817 10.097 315 HD1 PHE 41 HD1 PHE 41 -5.474 1.451 11.135 316 HD2 PHE 41 HD2 PHE 41 -9.283 1.009 9.295 317 HE1 PHE 41 HE1 PHE 41 -6.288 3.426 12.356 318 HE2 PHE 41 HE2 PHE 41 -10.105 2.983 10.511 319 HZ PHE 41 HZ PHE 41 -8.605 4.194 12.043 320 H PHE 42 HN PHE 42 -6.725 -0.196 6.089 321 HA PHE 42 HA PHE 42 -6.166 -2.957 5.877 322 1HB PHE 42 HB2 PHE 42 -7.849 -1.376 4.575 323 2HB PHE 42 HB1 PHE 42 -6.512 -1.274 3.434 324 HD1 PHE 42 HD1 PHE 42 -8.603 -3.753 5.259 325 HD2 PHE 42 HD2 PHE 42 -6.277 -2.891 1.800 326 HE1 PHE 42 HE1 PHE 42 -9.315 -5.883 4.254 327 HE2 PHE 42 HE2 PHE 42 -6.986 -5.019 0.789 328 HZ PHE 42 HZ PHE 42 -8.508 -6.518 2.016 329 H HIS 43 HN HIS 43 -4.608 -0.074 4.538 330 HA HIS 43 HA HIS 43 -2.608 -1.482 3.123 331 1HB HIS 43 HB2 HIS 43 -3.432 1.174 3.312 332 2HB HIS 43 HB1 HIS 43 -1.772 1.184 3.901 333 HD1 HIS 43 HD1 HIS 43 -3.714 1.150 0.808 334 HD2 HIS 43 HD2 HIS 43 0.094 0.001 2.006 335 HE1 HIS 43 HE1 HIS 43 -2.355 0.877 -1.308 336 H SER 44 HN SER 44 -2.676 -0.133 6.428 337 HA SER 44 HA SER 44 0.063 -0.436 6.956 338 1HB SER 44 HB2 SER 44 -1.982 0.639 8.342 339 2HB SER 44 HB1 SER 44 -1.842 -0.901 9.189 340 HG SER 44 HG SER 44 -0.299 1.262 9.412 341 H LEU 45 HN LEU 45 -2.671 -2.643 7.415 342 HA LEU 45 HA LEU 45 -1.291 -4.713 8.692 343 1HB LEU 45 HB2 LEU 45 -3.702 -4.731 6.883 344 2HB LEU 45 HB1 LEU 45 -3.103 -6.180 7.666 345 HG LEU 45 HG LEU 45 -3.722 -3.797 9.351 346 1HD1 LEU 45 HD11 LEU 45 -5.896 -5.741 8.762 347 2HD1 LEU 45 HD12 LEU 45 -5.616 -4.412 7.638 348 3HD1 LEU 45 HD13 LEU 45 -5.993 -4.073 9.328 349 1HD2 LEU 45 HD21 LEU 45 -4.344 -6.656 9.956 350 2HD2 LEU 45 HD22 LEU 45 -3.948 -5.335 11.055 351 3HD2 LEU 45 HD23 LEU 45 -2.683 -6.072 10.071 352 H SER 46 HN SER 46 -1.794 -4.024 5.261 353 HA SER 46 HA SER 46 -0.697 -6.323 4.158 354 1HB SER 46 HB2 SER 46 -1.884 -4.543 2.881 355 2HB SER 46 HB1 SER 46 -0.463 -3.512 3.051 356 HG SER 46 HG SER 46 0.716 -5.218 1.963 357 H GLU 47 HN GLU 47 0.894 -3.633 5.722 358 HA GLU 47 HA GLU 47 3.489 -4.379 4.665 359 1HB GLU 47 HB2 GLU 47 2.564 -2.189 6.515 360 2HB GLU 47 HB1 GLU 47 4.268 -2.503 6.221 361 1HG GLU 47 HG2 GLU 47 4.037 -1.995 3.902 362 2HG GLU 47 HG1 GLU 47 2.281 -1.917 4.040 363 H LYS 48 HN LYS 48 1.550 -5.082 7.406 364 HA LYS 48 HA LYS 48 3.854 -6.013 8.960 365 1HB LYS 48 HB2 LYS 48 2.109 -4.727 10.135 366 2HB LYS 48 HB1 LYS 48 0.913 -5.927 9.669 367 1HG LYS 48 HG2 LYS 48 2.109 -7.619 10.980 368 2HG LYS 48 HG1 LYS 48 3.282 -6.395 11.469 369 1HD LYS 48 HD2 LYS 48 1.932 -5.639 13.078 370 2HD LYS 48 HD1 LYS 48 0.577 -5.497 11.958 371 1HE LYS 48 HE2 LYS 48 -0.253 -7.051 13.424 372 2HE LYS 48 HE1 LYS 48 0.495 -8.107 12.227 373 1HZ LYS 48 HZ1 LYS 48 1.080 -8.814 14.437 374 2HZ LYS 48 HZ2 LYS 48 1.680 -7.279 14.822 375 3HZ LYS 48 HZ3 LYS 48 2.463 -8.226 13.660 376 H TYR 49 HN TYR 49 1.380 -7.111 6.882 377 HA TYR 49 HA TYR 49 1.675 -9.909 7.708 378 1HB TYR 49 HB2 TYR 49 -0.323 -8.373 6.104 379 2HB TYR 49 HB1 TYR 49 -0.124 -10.091 5.773 380 HD1 TYR 49 HD1 TYR 49 -0.947 -11.746 7.292 381 HD2 TYR 49 HD2 TYR 49 -1.062 -7.626 8.347 382 HE1 TYR 49 HE1 TYR 49 -2.400 -12.281 9.202 383 HE2 TYR 49 HE2 TYR 49 -2.513 -8.150 10.261 384 HH TYR 49 HH TYR 49 -2.822 -10.854 11.650 385 H SER 50 HN SER 50 3.707 -10.425 6.900 386 HA SER 50 HA SER 50 4.273 -9.981 4.075 387 1HB SER 50 HB2 SER 50 6.512 -10.890 4.623 388 2HB SER 50 HB1 SER 50 6.070 -9.546 5.675 389 HG SER 50 HG SER 50 6.784 -11.052 7.060 390 H ASN 51 HN ASN 51 2.145 -11.605 4.277 391 HA ASN 51 HA ASN 51 3.137 -14.072 3.136 392 1HB ASN 51 HB2 ASN 51 2.677 -14.249 5.754 393 2HB ASN 51 HB1 ASN 51 1.015 -14.435 5.197 394 1HD2 ASN 51 HD21 ASN 51 0.799 -16.555 5.765 395 2HD2 ASN 51 HD22 ASN 51 1.665 -17.839 5.000 396 H VAL 52 HN VAL 52 0.382 -12.098 4.101 397 HA VAL 52 HA VAL 52 -1.293 -13.268 2.014 398 HB VAL 52 HB VAL 52 -3.123 -12.067 2.996 399 1HG1 VAL 52 HG11 VAL 52 -3.331 -13.341 4.852 400 2HG1 VAL 52 HG12 VAL 52 -1.761 -12.857 5.492 401 3HG1 VAL 52 HG13 VAL 52 -1.857 -14.080 4.224 402 1HG2 VAL 52 HG21 VAL 52 -1.026 -10.351 3.996 403 2HG2 VAL 52 HG22 VAL 52 -2.150 -10.813 5.275 404 3HG2 VAL 52 HG23 VAL 52 -2.750 -10.036 3.809 405 H ILE 53 HN ILE 53 -2.430 -11.940 0.500 406 HA ILE 53 HA ILE 53 -0.900 -9.542 -0.230 407 HB ILE 53 HB ILE 53 -1.118 -11.574 -1.821 408 1HG1 ILE 53 HG12 ILE 53 -1.394 -9.930 -3.793 409 2HG1 ILE 53 HG11 ILE 53 -1.535 -8.694 -2.546 410 1HG2 ILE 53 HG21 ILE 53 -3.011 -11.692 -3.241 411 2HG2 ILE 53 HG22 ILE 53 -3.729 -10.257 -2.507 412 3HG2 ILE 53 HG23 ILE 53 -3.594 -11.752 -1.578 413 1HD1 ILE 53 HD11 ILE 53 0.700 -10.028 -1.755 414 2HD1 ILE 53 HD12 ILE 53 0.683 -8.560 -2.730 415 3HD1 ILE 53 HD13 ILE 53 0.809 -10.137 -3.512 416 H PHE 54 HN PHE 54 -1.793 -7.706 0.288 417 HA PHE 54 HA PHE 54 -4.693 -7.484 0.646 418 1HB PHE 54 HB2 PHE 54 -2.287 -5.900 1.477 419 2HB PHE 54 HB1 PHE 54 -3.813 -5.065 1.324 420 HD1 PHE 54 HD1 PHE 54 -2.554 -8.233 2.932 421 HD2 PHE 54 HD2 PHE 54 -4.956 -4.725 3.232 422 HE1 PHE 54 HE1 PHE 54 -3.130 -8.815 5.258 423 HE2 PHE 54 HE2 PHE 54 -5.539 -5.315 5.548 424 HZ PHE 54 HZ PHE 54 -4.622 -7.361 6.564 425 H LEU 55 HN LEU 55 -5.839 -6.816 -1.163 426 HA LEU 55 HA LEU 55 -4.546 -4.744 -2.767 427 1HB LEU 55 HB2 LEU 55 -4.721 -5.768 -4.703 428 2HB LEU 55 HB1 LEU 55 -4.786 -7.232 -3.740 429 HG LEU 55 HG LEU 55 -7.442 -6.533 -3.955 430 1HD1 LEU 55 HD11 LEU 55 -6.071 -5.924 -6.568 431 2HD1 LEU 55 HD12 LEU 55 -6.903 -4.753 -5.546 432 3HD1 LEU 55 HD13 LEU 55 -7.811 -6.052 -6.319 433 1HD2 LEU 55 HD21 LEU 55 -7.565 -8.391 -5.520 434 2HD2 LEU 55 HD22 LEU 55 -6.435 -8.760 -4.218 435 3HD2 LEU 55 HD23 LEU 55 -5.827 -8.284 -5.804 436 H GLU 56 HN GLU 56 -6.078 -3.558 -4.201 437 HA GLU 56 HA GLU 56 -8.531 -3.048 -2.653 438 1HB GLU 56 HB2 GLU 56 -6.434 -1.428 -3.009 439 2HB GLU 56 HB1 GLU 56 -7.384 -0.987 -4.418 440 1HG GLU 56 HG2 GLU 56 -8.422 0.448 -3.072 441 2HG GLU 56 HG1 GLU 56 -9.251 -0.960 -2.410 442 H VAL 57 HN VAL 57 -10.379 -3.491 -3.668 443 HA VAL 57 HA VAL 57 -10.437 -3.198 -6.600 444 HB VAL 57 HB VAL 57 -12.484 -4.829 -5.147 445 1HG1 VAL 57 HG11 VAL 57 -13.035 -4.474 -7.376 446 2HG1 VAL 57 HG12 VAL 57 -12.263 -6.061 -7.395 447 3HG1 VAL 57 HG13 VAL 57 -11.365 -4.636 -7.915 448 1HG2 VAL 57 HG21 VAL 57 -11.160 -6.842 -5.406 449 2HG2 VAL 57 HG22 VAL 57 -10.285 -5.689 -4.398 450 3HG2 VAL 57 HG23 VAL 57 -9.825 -5.912 -6.086 451 H ASP 58 HN ASP 58 -11.517 -1.478 -7.261 452 HA ASP 58 HA ASP 58 -13.566 -0.300 -5.523 453 1HB ASP 58 HB2 ASP 58 -11.836 1.236 -6.266 454 2HB ASP 58 HB1 ASP 58 -12.106 0.782 -7.946 455 H VAL 59 HN VAL 59 -15.633 -0.764 -5.942 456 HA VAL 59 HA VAL 59 -16.420 -2.338 -8.108 457 HB VAL 59 HB VAL 59 -17.665 -2.239 -5.990 458 1HG1 VAL 59 HG11 VAL 59 -17.485 0.322 -5.896 459 2HG1 VAL 59 HG12 VAL 59 -18.973 -0.431 -5.324 460 3HG1 VAL 59 HG13 VAL 59 -18.922 0.319 -6.920 461 1HG2 VAL 59 HG21 VAL 59 -19.390 -1.499 -8.349 462 2HG2 VAL 59 HG22 VAL 59 -19.869 -2.440 -6.936 463 3HG2 VAL 59 HG23 VAL 59 -18.693 -3.096 -8.076 464 H ASP 60 HN ASP 60 -15.902 1.043 -7.973 465 HA ASP 60 HA ASP 60 -17.748 1.838 -9.978 466 1HB ASP 60 HB2 ASP 60 -16.086 3.198 -8.307 467 2HB ASP 60 HB1 ASP 60 -15.191 3.316 -9.819 468 H ASP 61 HN ASP 61 -14.468 0.620 -9.999 469 HA ASP 61 HA ASP 61 -14.369 0.715 -12.928 470 1HB ASP 61 HB2 ASP 61 -12.222 0.024 -10.906 471 2HB ASP 61 HB1 ASP 61 -11.986 0.121 -12.649 472 H ALA 62 HN ALA 62 -14.302 -1.486 -10.197 473 HA ALA 62 HA ALA 62 -14.263 -3.813 -11.967 474 1HB ALA 62 HB1 ALA 62 -14.441 -4.249 -9.069 475 2HB ALA 62 HB2 ALA 62 -13.006 -3.375 -9.602 476 3HB ALA 62 HB3 ALA 62 -13.361 -4.972 -10.261 477 H GLN 63 HN GLN 63 -16.529 -2.295 -12.203 478 HA GLN 63 HA GLN 63 -18.648 -3.086 -10.500 479 1HB GLN 63 HB2 GLN 63 -18.404 -1.120 -12.256 480 2HB GLN 63 HB1 GLN 63 -19.181 -2.286 -13.319 481 1HG GLN 63 HG2 GLN 63 -20.376 -1.781 -10.644 482 2HG GLN 63 HG1 GLN 63 -20.578 -0.569 -11.908 483 1HE2 GLN 63 HE21 GLN 63 -21.444 -1.352 -13.974 484 2HE2 GLN 63 HE22 GLN 63 -22.642 -2.596 -13.944 485 H ASP 64 HN ASP 64 -16.970 -4.843 -12.827 486 HA ASP 64 HA ASP 64 -19.272 -6.491 -13.532 487 1HB ASP 64 HB2 ASP 64 -16.993 -5.719 -14.941 488 2HB ASP 64 HB1 ASP 64 -16.732 -7.424 -14.582 489 H VAL 65 HN VAL 65 -16.544 -6.516 -11.386 490 HA VAL 65 HA VAL 65 -16.565 -9.382 -11.048 491 HB VAL 65 HB VAL 65 -15.110 -8.847 -8.988 492 1HG1 VAL 65 HG11 VAL 65 -14.447 -8.488 -11.860 493 2HG1 VAL 65 HG12 VAL 65 -13.892 -9.706 -10.711 494 3HG1 VAL 65 HG13 VAL 65 -13.211 -8.080 -10.671 495 1HG2 VAL 65 HG21 VAL 65 -15.009 -6.150 -10.329 496 2HG2 VAL 65 HG22 VAL 65 -14.033 -6.684 -8.962 497 3HG2 VAL 65 HG23 VAL 65 -15.775 -6.488 -8.777 498 H ALA 66 HN ALA 66 -17.669 -6.575 -9.097 499 HA ALA 66 HA ALA 66 -18.595 -7.859 -6.876 500 1HB ALA 66 HB1 ALA 66 -19.211 -5.775 -6.431 501 2HB ALA 66 HB2 ALA 66 -20.534 -5.909 -7.588 502 3HB ALA 66 HB3 ALA 66 -18.952 -5.338 -8.120 503 HA PRO 67 HA PRO 67 -22.987 -8.473 -9.073 504 1HB PRO 67 HB2 PRO 67 -21.869 -8.706 -11.834 505 2HB PRO 67 HB1 PRO 67 -23.432 -8.070 -11.306 506 1HG PRO 67 HG2 PRO 67 -21.497 -6.405 -12.025 507 2HG PRO 67 HG1 PRO 67 -22.521 -6.036 -10.629 508 1HD PRO 67 HD2 PRO 67 -19.711 -7.045 -10.717 509 2HD PRO 67 HD1 PRO 67 -20.472 -5.901 -9.592 510 H LYS 68 HN LYS 68 -19.934 -9.812 -10.098 511 HA LYS 68 HA LYS 68 -20.952 -12.436 -10.667 512 1HB LYS 68 HB2 LYS 68 -18.646 -11.102 -11.304 513 2HB LYS 68 HB1 LYS 68 -18.089 -12.197 -10.047 514 1HG LYS 68 HG2 LYS 68 -18.539 -14.078 -11.291 515 2HG LYS 68 HG1 LYS 68 -19.758 -13.264 -12.274 516 1HD LYS 68 HD2 LYS 68 -18.025 -12.008 -13.425 517 2HD LYS 68 HD1 LYS 68 -16.788 -12.739 -12.402 518 1HE LYS 68 HE2 LYS 68 -18.584 -14.567 -13.895 519 2HE LYS 68 HE1 LYS 68 -17.384 -13.671 -14.827 520 1HZ LYS 68 HZ1 LYS 68 -16.498 -15.043 -12.399 521 2HZ LYS 68 HZ2 LYS 68 -15.665 -14.766 -13.844 522 3HZ LYS 68 HZ3 LYS 68 -16.833 -15.987 -13.762 523 H TYR 69 HN TYR 69 -19.941 -10.725 -7.829 524 HA TYR 69 HA TYR 69 -19.812 -13.233 -6.269 525 1HB TYR 69 HB2 TYR 69 -18.620 -10.501 -5.796 526 2HB TYR 69 HB1 TYR 69 -18.685 -11.747 -4.559 527 HD1 TYR 69 HD1 TYR 69 -17.660 -14.077 -5.294 528 HD2 TYR 69 HD2 TYR 69 -16.749 -10.346 -7.122 529 HE1 TYR 69 HE1 TYR 69 -15.568 -15.024 -6.170 530 HE2 TYR 69 HE2 TYR 69 -14.653 -11.278 -8.001 531 HH TYR 69 HH TYR 69 -13.838 -13.737 -8.588 532 H GLY 70 HN GLY 70 -21.832 -10.688 -6.953 533 1HA GLY 70 HA2 GLY 70 -23.810 -9.965 -6.016 534 2HA GLY 70 HA1 GLY 70 -23.726 -11.386 -4.990 535 H ILE 71 HN ILE 71 -21.425 -8.680 -5.104 536 HA ILE 71 HA ILE 71 -21.589 -8.377 -2.240 537 HB ILE 71 HB ILE 71 -20.083 -6.710 -4.262 538 1HG1 ILE 71 HG12 ILE 71 -19.035 -8.953 -2.532 539 2HG1 ILE 71 HG11 ILE 71 -19.525 -9.170 -4.209 540 1HG2 ILE 71 HG21 ILE 71 -20.113 -6.790 -1.276 541 2HG2 ILE 71 HG22 ILE 71 -20.100 -5.400 -2.363 542 3HG2 ILE 71 HG23 ILE 71 -18.633 -6.352 -2.130 543 1HD1 ILE 71 HD11 ILE 71 -17.328 -8.833 -4.556 544 2HD1 ILE 71 HD12 ILE 71 -17.126 -7.885 -3.083 545 3HD1 ILE 71 HD13 ILE 71 -17.823 -7.141 -4.522 546 H ARG 72 HN ARG 72 -23.880 -7.758 -2.136 547 HA ARG 72 HA ARG 72 -24.599 -5.194 -3.277 548 1HB ARG 72 HB2 ARG 72 -26.137 -7.248 -3.046 549 2HB ARG 72 HB1 ARG 72 -26.299 -6.770 -1.361 550 1HG ARG 72 HG2 ARG 72 -27.686 -5.085 -1.847 551 2HG ARG 72 HG1 ARG 72 -26.745 -4.587 -3.253 552 1HD ARG 72 HD2 ARG 72 -27.786 -6.221 -4.633 553 2HD ARG 72 HD1 ARG 72 -28.529 -7.012 -3.244 554 HE ARG 72 HE ARG 72 -29.411 -4.349 -3.365 555 1HH1 ARG 72 HH11 ARG 72 -29.752 -7.364 -5.092 556 2HH1 ARG 72 HH12 ARG 72 -31.330 -6.984 -5.696 557 1HH2 ARG 72 HH21 ARG 72 -31.481 -3.845 -4.163 558 2HH2 ARG 72 HH22 ARG 72 -32.315 -4.989 -5.163 559 H GLY 73 HN GLY 73 -23.103 -3.881 -2.174 560 1HA GLY 73 HA2 GLY 73 -23.736 -2.092 -0.437 561 2HA GLY 73 HA1 GLY 73 -23.685 -3.439 0.684 562 H ILE 74 HN ILE 74 -22.165 -1.172 1.056 563 HA ILE 74 HA ILE 74 -19.473 -2.292 0.982 564 HB ILE 74 HB ILE 74 -18.567 0.000 0.345 565 1HG1 ILE 74 HG12 ILE 74 -21.393 0.333 -0.687 566 2HG1 ILE 74 HG11 ILE 74 -20.672 1.246 0.635 567 1HG2 ILE 74 HG21 ILE 74 -18.448 -1.919 -1.154 568 2HG2 ILE 74 HG22 ILE 74 -18.753 -0.434 -2.058 569 3HG2 ILE 74 HG23 ILE 74 -20.071 -1.566 -1.750 570 1HD1 ILE 74 HD11 ILE 74 -20.576 2.654 -1.231 571 2HD1 ILE 74 HD12 ILE 74 -20.014 1.358 -2.286 572 3HD1 ILE 74 HD13 ILE 74 -18.940 2.018 -1.052 573 HA PRO 75 HA PRO 75 -17.426 -1.192 1.457 574 1HB PRO 75 HB2 PRO 75 -15.610 -1.358 3.398 575 2HB PRO 75 HB1 PRO 75 -16.197 0.217 2.853 576 1HG PRO 75 HG2 PRO 75 -17.012 -1.371 5.261 577 2HG PRO 75 HG1 PRO 75 -16.648 0.359 5.138 578 1HD PRO 75 HD2 PRO 75 -19.189 -0.674 5.111 579 2HD PRO 75 HD1 PRO 75 -18.737 0.866 4.355 580 H THR 76 HN THR 76 -17.467 -3.276 0.766 581 HA THR 76 HA THR 76 -17.894 -5.431 2.661 582 HB THR 76 HB THR 76 -17.348 -6.134 -0.138 583 HG1 THR 76 HG1 THR 76 -19.544 -4.471 0.524 584 1HG2 THR 76 HG21 THR 76 -18.559 -7.429 1.838 585 2HG2 THR 76 HG22 THR 76 -18.953 -7.688 0.140 586 3HG2 THR 76 HG23 THR 76 -19.966 -6.635 1.129 587 H LEU 77 HN LEU 77 -16.408 -6.911 3.274 588 HA LEU 77 HA LEU 77 -13.682 -6.585 2.218 589 1HB LEU 77 HB2 LEU 77 -14.668 -6.708 4.899 590 2HB LEU 77 HB1 LEU 77 -13.696 -8.140 4.617 591 HG LEU 77 HG LEU 77 -11.791 -6.736 3.973 592 1HD1 LEU 77 HD11 LEU 77 -12.183 -4.217 4.692 593 2HD1 LEU 77 HD12 LEU 77 -13.830 -4.595 4.186 594 3HD1 LEU 77 HD13 LEU 77 -12.495 -4.783 3.051 595 1HD2 LEU 77 HD21 LEU 77 -12.577 -7.264 6.461 596 2HD2 LEU 77 HD22 LEU 77 -12.659 -5.504 6.527 597 3HD2 LEU 77 HD23 LEU 77 -11.142 -6.300 6.110 598 H LEU 78 HN LEU 78 -12.947 -8.178 0.996 599 HA LEU 78 HA LEU 78 -14.325 -10.777 1.148 600 1HB LEU 78 HB2 LEU 78 -13.237 -9.205 -1.156 601 2HB LEU 78 HB1 LEU 78 -13.321 -10.948 -1.277 602 HG LEU 78 HG LEU 78 -15.550 -8.946 -1.172 603 1HD1 LEU 78 HD11 LEU 78 -14.385 -10.179 -3.233 604 2HD1 LEU 78 HD12 LEU 78 -16.095 -9.746 -3.217 605 3HD1 LEU 78 HD13 LEU 78 -15.598 -11.394 -2.831 606 1HD2 LEU 78 HD21 LEU 78 -16.523 -10.278 0.398 607 2HD2 LEU 78 HD22 LEU 78 -15.602 -11.706 -0.077 608 3HD2 LEU 78 HD23 LEU 78 -16.976 -11.179 -1.049 609 H LEU 79 HN LEU 79 -13.190 -12.563 1.486 610 HA LEU 79 HA LEU 79 -10.256 -12.341 1.528 611 1HB LEU 79 HB2 LEU 79 -12.211 -13.558 3.372 612 2HB LEU 79 HB1 LEU 79 -10.801 -14.544 3.039 613 HG LEU 79 HG LEU 79 -10.562 -13.179 5.079 614 1HD1 LEU 79 HD11 LEU 79 -8.378 -12.045 4.335 615 2HD1 LEU 79 HD12 LEU 79 -8.724 -12.745 2.754 616 3HD1 LEU 79 HD13 LEU 79 -8.518 -13.794 4.158 617 1HD2 LEU 79 HD21 LEU 79 -10.304 -10.774 4.916 618 2HD2 LEU 79 HD22 LEU 79 -11.897 -11.259 4.334 619 3HD2 LEU 79 HD23 LEU 79 -10.629 -10.837 3.184 620 H PHE 80 HN PHE 80 -9.245 -13.494 0.018 621 HA PHE 80 HA PHE 80 -10.694 -15.757 -1.185 622 1HB PHE 80 HB2 PHE 80 -8.843 -13.703 -2.330 623 2HB PHE 80 HB1 PHE 80 -9.006 -15.263 -3.120 624 HD1 PHE 80 HD1 PHE 80 -10.638 -12.113 -2.306 625 HD2 PHE 80 HD2 PHE 80 -11.112 -15.912 -4.173 626 HE1 PHE 80 HE1 PHE 80 -12.678 -11.305 -3.413 627 HE2 PHE 80 HE2 PHE 80 -13.159 -15.110 -5.286 628 HZ PHE 80 HZ PHE 80 -13.945 -12.804 -4.905 629 H LYS 81 HN LYS 81 -9.638 -17.653 -1.635 630 HA LYS 81 HA LYS 81 -6.878 -18.014 -0.758 631 1HB LYS 81 HB2 LYS 81 -8.852 -18.515 1.030 632 2HB LYS 81 HB1 LYS 81 -8.775 -20.071 0.216 633 1HG LYS 81 HG2 LYS 81 -6.912 -20.634 1.275 634 2HG LYS 81 HG1 LYS 81 -6.141 -19.090 0.906 635 1HD LYS 81 HD2 LYS 81 -7.737 -18.186 2.769 636 2HD LYS 81 HD1 LYS 81 -7.801 -19.879 3.262 637 1HE LYS 81 HE2 LYS 81 -5.221 -18.389 2.831 638 2HE LYS 81 HE1 LYS 81 -6.040 -18.459 4.391 639 1HZ LYS 81 HZ1 LYS 81 -4.310 -20.153 4.180 640 2HZ LYS 81 HZ2 LYS 81 -5.107 -20.821 2.846 641 3HZ LYS 81 HZ3 LYS 81 -5.838 -20.854 4.371 642 H ASN 82 HN ASN 82 -5.921 -19.038 -2.434 643 HA ASN 82 HA ASN 82 -5.598 -20.420 -4.233 644 1HB ASN 82 HB2 ASN 82 -7.543 -21.988 -2.565 645 2HB ASN 82 HB1 ASN 82 -7.056 -22.585 -4.142 646 1HD2 ASN 82 HD21 ASN 82 -4.584 -20.807 -2.589 647 2HD2 ASN 82 HD22 ASN 82 -3.685 -22.153 -1.996 648 H GLY 83 HN GLY 83 -7.214 -18.256 -4.756 649 1HA GLY 83 HA2 GLY 83 -8.540 -17.493 -6.470 650 2HA GLY 83 HA1 GLY 83 -8.600 -19.133 -7.075 651 H GLU 84 HN GLU 84 -9.671 -19.227 -3.924 652 HA GLU 84 HA GLU 84 -12.460 -18.812 -4.776 653 1HB GLU 84 HB2 GLU 84 -11.469 -21.247 -4.393 654 2HB GLU 84 HB1 GLU 84 -11.842 -20.871 -2.717 655 1HG GLU 84 HG2 GLU 84 -14.168 -20.436 -3.332 656 2HG GLU 84 HG1 GLU 84 -13.791 -20.814 -5.011 657 H VAL 85 HN VAL 85 -13.832 -17.824 -3.387 658 HA VAL 85 HA VAL 85 -12.730 -16.209 -1.325 659 HB VAL 85 HB VAL 85 -14.674 -15.475 -2.613 660 1HG1 VAL 85 HG11 VAL 85 -16.714 -16.490 -2.660 661 2HG1 VAL 85 HG12 VAL 85 -16.511 -17.227 -1.071 662 3HG1 VAL 85 HG13 VAL 85 -15.682 -17.907 -2.472 663 1HG2 VAL 85 HG21 VAL 85 -15.931 -14.510 -0.803 664 2HG2 VAL 85 HG22 VAL 85 -14.227 -14.576 -0.347 665 3HG2 VAL 85 HG23 VAL 85 -15.362 -15.756 0.308 666 H ALA 86 HN ALA 86 -12.203 -16.867 0.697 667 HA ALA 86 HA ALA 86 -13.683 -19.132 1.831 668 1HB ALA 86 HB1 ALA 86 -10.958 -18.241 2.715 669 2HB ALA 86 HB2 ALA 86 -11.207 -19.397 1.407 670 3HB ALA 86 HB3 ALA 86 -11.762 -19.777 3.037 671 H ALA 87 HN ALA 87 -13.951 -16.029 1.947 672 HA ALA 87 HA ALA 87 -15.243 -15.925 4.430 673 1HB ALA 87 HB1 ALA 87 -13.583 -15.570 5.856 674 2HB ALA 87 HB2 ALA 87 -13.354 -13.997 5.089 675 3HB ALA 87 HB3 ALA 87 -12.411 -15.388 4.553 676 H THR 88 HN THR 88 -16.602 -14.206 4.535 677 HA THR 88 HA THR 88 -16.083 -11.913 2.785 678 HB THR 88 HB THR 88 -18.788 -13.251 2.932 679 HG1 THR 88 HG1 THR 88 -16.841 -13.439 0.879 680 1HG2 THR 88 HG21 THR 88 -19.521 -11.443 1.896 681 2HG2 THR 88 HG22 THR 88 -18.468 -11.841 0.539 682 3HG2 THR 88 HG23 THR 88 -17.893 -10.770 1.817 683 H LYS 89 HN LYS 89 -16.326 -10.051 3.845 684 HA LYS 89 HA LYS 89 -18.064 -10.019 6.222 685 1HB LYS 89 HB2 LYS 89 -15.274 -9.603 6.090 686 2HB LYS 89 HB1 LYS 89 -15.991 -8.027 6.370 687 1HG LYS 89 HG2 LYS 89 -15.439 -9.054 8.471 688 2HG LYS 89 HG1 LYS 89 -17.192 -8.942 8.315 689 1HD LYS 89 HD2 LYS 89 -17.331 -11.279 7.728 690 2HD LYS 89 HD1 LYS 89 -15.572 -11.412 7.706 691 1HE LYS 89 HE2 LYS 89 -15.406 -11.430 9.979 692 2HE LYS 89 HE1 LYS 89 -16.834 -10.421 10.199 693 1HZ LYS 89 HZ1 LYS 89 -17.702 -12.378 10.868 694 2HZ LYS 89 HZ2 LYS 89 -16.623 -13.314 9.963 695 3HZ LYS 89 HZ3 LYS 89 -17.958 -12.601 9.209 696 H VAL 90 HN VAL 90 -19.324 -8.209 6.549 697 HA VAL 90 HA VAL 90 -19.316 -6.218 4.374 698 HB VAL 90 HB VAL 90 -21.760 -7.106 5.903 699 1HG1 VAL 90 HG11 VAL 90 -22.804 -6.033 3.774 700 2HG1 VAL 90 HG12 VAL 90 -21.248 -5.216 3.644 701 3HG1 VAL 90 HG13 VAL 90 -22.241 -4.999 5.086 702 1HG2 VAL 90 HG21 VAL 90 -20.479 -8.186 3.453 703 2HG2 VAL 90 HG22 VAL 90 -22.238 -8.048 3.464 704 3HG2 VAL 90 HG23 VAL 90 -21.421 -9.008 4.697 705 H GLY 91 HN GLY 91 -19.723 -4.043 4.895 706 1HA GLY 91 HA2 GLY 91 -20.024 -2.213 6.267 707 2HA GLY 91 HA1 GLY 91 -20.300 -3.301 7.615 708 H ALA 92 HN ALA 92 -18.810 -0.951 7.772 709 HA ALA 92 HA ALA 92 -16.018 -1.435 7.558 710 1HB ALA 92 HB1 ALA 92 -16.656 0.811 7.467 711 2HB ALA 92 HB2 ALA 92 -15.908 0.635 9.055 712 3HB ALA 92 HB3 ALA 92 -17.665 0.677 8.909 713 H LEU 93 HN LEU 93 -14.657 -2.401 8.922 714 HA LEU 93 HA LEU 93 -15.611 -3.005 11.641 715 1HB LEU 93 HB2 LEU 93 -13.915 -4.953 11.429 716 2HB LEU 93 HB1 LEU 93 -15.494 -5.104 10.684 717 HG LEU 93 HG LEU 93 -13.239 -4.066 9.030 718 1HD1 LEU 93 HD11 LEU 93 -12.974 -6.613 8.435 719 2HD1 LEU 93 HD12 LEU 93 -13.499 -6.827 10.105 720 3HD1 LEU 93 HD13 LEU 93 -12.054 -5.881 9.750 721 1HD2 LEU 93 HD21 LEU 93 -15.841 -5.458 8.631 722 2HD2 LEU 93 HD22 LEU 93 -14.566 -5.687 7.435 723 3HD2 LEU 93 HD23 LEU 93 -15.163 -4.065 7.787 724 H SER 94 HN SER 94 -14.082 -2.945 13.333 725 HA SER 94 HA SER 94 -12.198 -0.863 13.152 726 1HB SER 94 HB2 SER 94 -12.888 -2.915 15.217 727 2HB SER 94 HB1 SER 94 -11.417 -1.965 15.419 728 HG SER 94 HG SER 94 -13.528 -1.145 16.318 729 H LYS 95 HN LYS 95 -9.875 -1.382 14.163 730 HA LYS 95 HA LYS 95 -8.494 -2.819 12.120 731 1HB LYS 95 HB2 LYS 95 -7.534 -0.811 13.161 732 2HB LYS 95 HB1 LYS 95 -7.448 -1.650 14.705 733 1HG LYS 95 HG2 LYS 95 -5.603 -2.805 14.129 734 2HG LYS 95 HG1 LYS 95 -6.115 -2.993 12.452 735 1HD LYS 95 HD2 LYS 95 -5.576 -0.569 12.112 736 2HD LYS 95 HD1 LYS 95 -4.869 -0.566 13.729 737 1HE LYS 95 HE2 LYS 95 -3.568 -2.662 12.752 738 2HE LYS 95 HE1 LYS 95 -3.896 -1.840 11.225 739 1HZ LYS 95 HZ1 LYS 95 -2.646 -0.475 13.537 740 2HZ LYS 95 HZ2 LYS 95 -2.718 0.055 11.933 741 3HZ LYS 95 HZ3 LYS 95 -1.741 -1.264 12.346 742 H GLY 96 HN GLY 96 -9.447 -3.524 15.436 743 1HA GLY 96 HA2 GLY 96 -7.795 -5.849 15.629 744 2HA GLY 96 HA1 GLY 96 -9.069 -5.385 16.742 745 H GLN 97 HN GLN 97 -11.064 -5.233 14.567 746 HA GLN 97 HA GLN 97 -11.839 -7.993 14.623 747 1HB GLN 97 HB2 GLN 97 -13.149 -5.799 13.030 748 2HB GLN 97 HB1 GLN 97 -13.868 -7.299 13.601 749 1HG GLN 97 HG2 GLN 97 -13.583 -6.504 15.923 750 2HG GLN 97 HG1 GLN 97 -12.989 -4.969 15.290 751 1HE2 GLN 97 HE21 GLN 97 -15.752 -7.150 15.272 752 2HE2 GLN 97 HE22 GLN 97 -16.951 -5.928 15.048 753 H LEU 98 HN LEU 98 -10.416 -5.822 12.301 754 HA LEU 98 HA LEU 98 -10.798 -7.529 10.037 755 1HB LEU 98 HB2 LEU 98 -10.067 -4.923 10.323 756 2HB LEU 98 HB1 LEU 98 -8.511 -5.662 9.995 757 HG LEU 98 HG LEU 98 -10.863 -6.197 8.207 758 1HD1 LEU 98 HD11 LEU 98 -8.939 -3.889 7.957 759 2HD1 LEU 98 HD12 LEU 98 -10.643 -3.762 8.390 760 3HD1 LEU 98 HD13 LEU 98 -10.181 -4.348 6.792 761 1HD2 LEU 98 HD21 LEU 98 -7.898 -6.125 7.663 762 2HD2 LEU 98 HD22 LEU 98 -9.170 -6.686 6.576 763 3HD2 LEU 98 HD23 LEU 98 -8.810 -7.585 8.049 764 H LYS 99 HN LYS 99 -8.053 -6.777 12.146 765 HA LYS 99 HA LYS 99 -6.227 -8.577 11.011 766 1HB LYS 99 HB2 LYS 99 -6.015 -6.640 12.858 767 2HB LYS 99 HB1 LYS 99 -6.042 -8.035 13.927 768 1HG LYS 99 HG2 LYS 99 -4.069 -8.905 13.041 769 2HG LYS 99 HG1 LYS 99 -4.178 -7.913 11.586 770 1HD LYS 99 HD2 LYS 99 -2.518 -6.847 12.808 771 2HD LYS 99 HD1 LYS 99 -3.959 -5.915 13.223 772 1HE LYS 99 HE2 LYS 99 -3.399 -8.231 14.954 773 2HE LYS 99 HE1 LYS 99 -2.220 -6.923 15.033 774 1HZ LYS 99 HZ1 LYS 99 -4.080 -5.385 15.457 775 2HZ LYS 99 HZ2 LYS 99 -3.916 -6.558 16.663 776 3HZ LYS 99 HZ3 LYS 99 -5.142 -6.701 15.508 777 H GLU 100 HN GLU 100 -8.489 -8.967 13.727 778 HA GLU 100 HA GLU 100 -7.668 -11.535 14.495 779 1HB GLU 100 HB2 GLU 100 -9.600 -11.651 15.812 780 2HB GLU 100 HB1 GLU 100 -9.260 -9.930 15.720 781 1HG GLU 100 HG2 GLU 100 -10.987 -9.640 14.068 782 2HG GLU 100 HG1 GLU 100 -11.278 -11.379 14.021 783 H PHE 101 HN PHE 101 -10.113 -10.496 12.136 784 HA PHE 101 HA PHE 101 -11.092 -13.044 11.461 785 1HB PHE 101 HB2 PHE 101 -12.118 -10.800 10.898 786 2HB PHE 101 HB1 PHE 101 -10.901 -10.633 9.640 787 HD1 PHE 101 HD1 PHE 101 -13.133 -13.417 10.744 788 HD2 PHE 101 HD2 PHE 101 -11.796 -10.923 7.566 789 HE1 PHE 101 HE1 PHE 101 -14.580 -14.643 9.177 790 HE2 PHE 101 HE2 PHE 101 -13.243 -12.141 5.993 791 HZ PHE 101 HZ PHE 101 -14.637 -14.006 6.798 792 H LEU 102 HN LEU 102 -8.444 -11.098 10.155 793 HA LEU 102 HA LEU 102 -7.816 -12.841 8.003 794 1HB LEU 102 HB2 LEU 102 -6.696 -10.436 9.210 795 2HB LEU 102 HB1 LEU 102 -5.448 -11.544 8.668 796 HG LEU 102 HG LEU 102 -7.692 -10.520 6.928 797 1HD1 LEU 102 HD11 LEU 102 -5.776 -8.926 7.796 798 2HD1 LEU 102 HD12 LEU 102 -6.341 -8.871 6.127 799 3HD1 LEU 102 HD13 LEU 102 -4.857 -9.734 6.526 800 1HD2 LEU 102 HD21 LEU 102 -5.837 -11.362 5.220 801 2HD2 LEU 102 HD22 LEU 102 -7.100 -12.422 5.847 802 3HD2 LEU 102 HD23 LEU 102 -5.485 -12.457 6.557 803 H ASP 103 HN ASP 103 -6.165 -12.324 11.128 804 HA ASP 103 HA ASP 103 -4.298 -14.343 10.987 805 1HB ASP 103 HB2 ASP 103 -4.908 -12.565 12.887 806 2HB ASP 103 HB1 ASP 103 -5.685 -13.975 13.602 807 H ALA 104 HN ALA 104 -7.721 -14.568 11.729 808 HA ALA 104 HA ALA 104 -7.673 -17.288 12.583 809 1HB ALA 104 HB1 ALA 104 -10.067 -15.809 11.529 810 2HB ALA 104 HB2 ALA 104 -9.433 -15.578 13.160 811 3HB ALA 104 HB3 ALA 104 -10.031 -17.160 12.662 812 H ASN 105 HN ASN 105 -7.754 -15.763 9.467 813 HA ASN 105 HA ASN 105 -8.534 -18.305 8.208 814 1HB ASN 105 HB2 ASN 105 -9.524 -15.809 7.764 815 2HB ASN 105 HB1 ASN 105 -8.284 -15.899 6.519 816 1HD2 ASN 105 HD21 ASN 105 -10.006 -15.807 4.987 817 2HD2 ASN 105 HD22 ASN 105 -10.907 -17.232 4.605 818 H LEU 106 HN LEU 106 -5.913 -16.069 8.572 819 HA LEU 106 HA LEU 106 -4.416 -16.945 6.296 820 1HB LEU 106 HB2 LEU 106 -4.138 -14.711 7.261 821 2HB LEU 106 HB1 LEU 106 -3.572 -15.413 8.759 822 HG LEU 106 HG LEU 106 -1.882 -14.407 7.048 823 1HD1 LEU 106 HD11 LEU 106 -1.007 -17.075 7.980 824 2HD1 LEU 106 HD12 LEU 106 -1.609 -15.942 9.190 825 3HD1 LEU 106 HD13 LEU 106 -0.244 -15.497 8.167 826 1HD2 LEU 106 HD21 LEU 106 -2.885 -16.008 5.254 827 2HD2 LEU 106 HD22 LEU 106 -1.807 -17.195 5.989 828 3HD2 LEU 106 HD23 LEU 106 -1.148 -15.710 5.303 829 H VAL 107 HN VAL 107 -3.208 -17.070 9.632 830 HA VAL 107 HA VAL 107 -1.755 -18.575 10.584 831 HB VAL 107 HB VAL 107 -4.026 -19.345 11.189 832 1HG1 VAL 107 HG11 VAL 107 -3.669 -21.145 8.803 833 2HG1 VAL 107 HG12 VAL 107 -4.943 -19.957 9.083 834 3HG1 VAL 107 HG13 VAL 107 -4.868 -21.419 10.068 835 1HG2 VAL 107 HG21 VAL 107 -1.709 -20.521 11.746 836 2HG2 VAL 107 HG22 VAL 107 -2.479 -21.855 10.889 837 3HG2 VAL 107 HG23 VAL 107 -3.251 -21.161 12.315 Start of MODEL 21 1 1H MET 1 HT1 MET 1 2.852 -7.005 -1.814 2 2H MET 1 HT2 MET 1 2.277 -6.203 -0.410 3 3H MET 1 HT3 MET 1 3.896 -5.972 -0.929 4 HA MET 1 HA MET 1 2.723 -4.084 -1.537 5 1HB MET 1 HB2 MET 1 3.328 -6.056 -3.714 6 2HB MET 1 HB1 MET 1 2.701 -4.465 -4.119 7 1HG MET 1 HG2 MET 1 4.582 -3.388 -3.147 8 2HG MET 1 HG1 MET 1 5.157 -4.901 -2.447 9 1HE MET 1 HE1 MET 1 7.221 -5.815 -3.358 10 2HE MET 1 HE2 MET 1 7.569 -4.101 -3.592 11 3HE MET 1 HE3 MET 1 7.949 -5.260 -4.866 12 H VAL 2 HN VAL 2 0.980 -3.059 -2.627 13 HA VAL 2 HA VAL 2 -1.478 -4.676 -2.704 14 HB VAL 2 HB VAL 2 -1.183 -1.697 -2.253 15 1HG1 VAL 2 HG11 VAL 2 -3.443 -1.471 -2.176 16 2HG1 VAL 2 HG12 VAL 2 -3.703 -3.126 -1.633 17 3HG1 VAL 2 HG13 VAL 2 -3.350 -2.799 -3.327 18 1HG2 VAL 2 HG21 VAL 2 -2.316 -3.366 -0.121 19 2HG2 VAL 2 HG22 VAL 2 -1.185 -2.016 -0.034 20 3HG2 VAL 2 HG23 VAL 2 -0.601 -3.629 -0.444 21 H LYS 3 HN LYS 3 -2.992 -4.293 -4.458 22 HA LYS 3 HA LYS 3 -1.962 -2.581 -6.590 23 1HB LYS 3 HB2 LYS 3 -2.542 -4.516 -8.209 24 2HB LYS 3 HB1 LYS 3 -0.997 -4.533 -7.373 25 1HG LYS 3 HG2 LYS 3 -1.956 -6.084 -5.705 26 2HG LYS 3 HG1 LYS 3 -3.453 -6.115 -6.642 27 1HD LYS 3 HD2 LYS 3 -2.318 -8.007 -7.390 28 2HD LYS 3 HD1 LYS 3 -1.940 -6.796 -8.617 29 1HE LYS 3 HE2 LYS 3 0.236 -6.526 -7.868 30 2HE LYS 3 HE1 LYS 3 -0.132 -7.159 -6.264 31 1HZ LYS 3 HZ1 LYS 3 -0.396 -8.951 -8.570 32 2HZ LYS 3 HZ2 LYS 3 0.029 -9.308 -6.972 33 3HZ LYS 3 HZ3 LYS 3 1.158 -8.590 -8.006 34 H GLN 4 HN GLN 4 -3.460 -1.394 -7.317 35 HA GLN 4 HA GLN 4 -6.207 -1.793 -6.636 36 1HB GLN 4 HB2 GLN 4 -5.080 0.408 -6.689 37 2HB GLN 4 HB1 GLN 4 -4.877 0.254 -8.425 38 1HG GLN 4 HG2 GLN 4 -6.852 1.186 -8.750 39 2HG GLN 4 HG1 GLN 4 -7.632 -0.101 -7.825 40 1HE2 GLN 4 HE21 GLN 4 -8.721 0.523 -6.136 41 2HE2 GLN 4 HE22 GLN 4 -8.471 1.966 -5.220 42 H ILE 5 HN ILE 5 -7.662 -2.907 -7.842 43 HA ILE 5 HA ILE 5 -6.954 -3.596 -10.624 44 HB ILE 5 HB ILE 5 -8.913 -4.940 -8.757 45 1HG1 ILE 5 HG12 ILE 5 -7.338 -6.904 -9.304 46 2HG1 ILE 5 HG11 ILE 5 -6.224 -5.670 -9.891 47 1HG2 ILE 5 HG21 ILE 5 -8.703 -4.987 -11.665 48 2HG2 ILE 5 HG22 ILE 5 -10.018 -5.516 -10.615 49 3HG2 ILE 5 HG23 ILE 5 -8.649 -6.579 -10.922 50 1HD1 ILE 5 HD11 ILE 5 -6.497 -6.577 -7.310 51 2HD1 ILE 5 HD12 ILE 5 -7.280 -4.994 -7.324 52 3HD1 ILE 5 HD13 ILE 5 -5.608 -5.155 -7.854 53 H GLU 6 HN GLU 6 -7.808 -2.277 -12.064 54 HA GLU 6 HA GLU 6 -10.415 -1.098 -11.512 55 1HB GLU 6 HB2 GLU 6 -8.056 -0.268 -13.075 56 2HB GLU 6 HB1 GLU 6 -9.615 0.141 -13.780 57 1HG GLU 6 HG2 GLU 6 -10.235 1.420 -11.891 58 2HG GLU 6 HG1 GLU 6 -8.886 0.804 -10.944 59 H SER 7 HN SER 7 -9.806 -3.915 -12.546 60 HA SER 7 HA SER 7 -11.924 -3.901 -14.508 61 1HB SER 7 HB2 SER 7 -9.084 -4.371 -15.237 62 2HB SER 7 HB1 SER 7 -10.288 -5.437 -15.961 63 HG SER 7 HG SER 7 -10.007 -3.623 -17.267 64 H LYS 8 HN LYS 8 -12.565 -6.117 -15.169 65 HA LYS 8 HA LYS 8 -12.619 -7.826 -12.873 66 1HB LYS 8 HB2 LYS 8 -14.609 -7.586 -14.246 67 2HB LYS 8 HB1 LYS 8 -13.743 -8.187 -15.651 68 1HG LYS 8 HG2 LYS 8 -13.414 -10.225 -13.848 69 2HG LYS 8 HG1 LYS 8 -15.036 -9.641 -13.481 70 1HD LYS 8 HD2 LYS 8 -15.602 -11.073 -15.142 71 2HD LYS 8 HD1 LYS 8 -15.185 -9.690 -16.156 72 1HE LYS 8 HE2 LYS 8 -13.137 -10.597 -16.767 73 2HE LYS 8 HE1 LYS 8 -13.090 -11.677 -15.374 74 1HZ LYS 8 HZ1 LYS 8 -15.024 -11.950 -17.607 75 2HZ LYS 8 HZ2 LYS 8 -14.753 -13.049 -16.350 76 3HZ LYS 8 HZ3 LYS 8 -13.560 -12.794 -17.522 77 H THR 9 HN THR 9 -10.786 -7.653 -15.804 78 HA THR 9 HA THR 9 -9.888 -10.389 -15.688 79 HB THR 9 HB THR 9 -8.557 -8.186 -17.242 80 HG1 THR 9 HG1 THR 9 -10.293 -7.987 -18.381 81 1HG2 THR 9 HG21 THR 9 -7.317 -10.066 -17.628 82 2HG2 THR 9 HG22 THR 9 -8.513 -10.174 -18.920 83 3HG2 THR 9 HG23 THR 9 -8.701 -11.146 -17.461 84 H ALA 10 HN ALA 10 -8.815 -7.260 -14.587 85 HA ALA 10 HA ALA 10 -6.157 -7.965 -13.911 86 1HB ALA 10 HB1 ALA 10 -7.991 -5.715 -13.369 87 2HB ALA 10 HB2 ALA 10 -6.305 -5.702 -13.886 88 3HB ALA 10 HB3 ALA 10 -6.704 -5.954 -12.187 89 H PHE 11 HN PHE 11 -9.217 -8.119 -12.166 90 HA PHE 11 HA PHE 11 -8.248 -8.683 -9.603 91 1HB PHE 11 HB2 PHE 11 -10.648 -8.176 -10.365 92 2HB PHE 11 HB1 PHE 11 -10.771 -9.888 -10.748 93 HD1 PHE 11 HD1 PHE 11 -9.300 -7.992 -7.894 94 HD2 PHE 11 HD2 PHE 11 -12.047 -10.973 -9.186 95 HE1 PHE 11 HE1 PHE 11 -9.877 -8.467 -5.553 96 HE2 PHE 11 HE2 PHE 11 -12.626 -11.457 -6.845 97 HZ PHE 11 HZ PHE 11 -11.541 -10.203 -5.025 98 H GLN 12 HN GLN 12 -9.061 -10.860 -12.261 99 HA GLN 12 HA GLN 12 -8.438 -13.263 -10.881 100 1HB GLN 12 HB2 GLN 12 -8.271 -12.856 -13.868 101 2HB GLN 12 HB1 GLN 12 -8.579 -14.355 -13.004 102 1HG GLN 12 HG2 GLN 12 -10.452 -12.012 -12.883 103 2HG GLN 12 HG1 GLN 12 -10.556 -13.251 -14.131 104 1HE2 GLN 12 HE21 GLN 12 -10.194 -13.102 -10.596 105 2HE2 GLN 12 HE22 GLN 12 -11.365 -14.324 -10.251 106 H GLU 13 HN GLU 13 -6.586 -11.083 -12.950 107 HA GLU 13 HA GLU 13 -4.251 -12.573 -13.193 108 1HB GLU 13 HB2 GLU 13 -4.974 -9.710 -13.415 109 2HB GLU 13 HB1 GLU 13 -3.268 -10.067 -13.186 110 1HG GLU 13 HG2 GLU 13 -3.338 -11.556 -15.134 111 2HG GLU 13 HG1 GLU 13 -5.030 -11.124 -15.379 112 H ALA 14 HN ALA 14 -5.134 -10.137 -10.758 113 HA ALA 14 HA ALA 14 -2.737 -10.331 -9.278 114 1HB ALA 14 HB1 ALA 14 -4.326 -9.354 -7.435 115 2HB ALA 14 HB2 ALA 14 -5.441 -9.181 -8.789 116 3HB ALA 14 HB3 ALA 14 -3.868 -8.385 -8.835 117 H LEU 15 HN LEU 15 -5.819 -12.039 -9.098 118 HA LEU 15 HA LEU 15 -5.353 -13.292 -6.607 119 1HB LEU 15 HB2 LEU 15 -7.155 -13.873 -8.928 120 2HB LEU 15 HB1 LEU 15 -6.978 -15.057 -7.652 121 HG LEU 15 HG LEU 15 -7.840 -12.208 -7.169 122 1HD1 LEU 15 HD11 LEU 15 -9.746 -14.462 -6.949 123 2HD1 LEU 15 HD12 LEU 15 -9.326 -13.919 -8.573 124 3HD1 LEU 15 HD13 LEU 15 -10.019 -12.784 -7.416 125 1HD2 LEU 15 HD21 LEU 15 -8.548 -13.082 -5.001 126 2HD2 LEU 15 HD22 LEU 15 -6.819 -13.324 -5.248 127 3HD2 LEU 15 HD23 LEU 15 -7.935 -14.677 -5.435 128 H ASP 16 HN ASP 16 -4.539 -14.151 -9.927 129 HA ASP 16 HA ASP 16 -3.589 -16.762 -9.365 130 1HB ASP 16 HB2 ASP 16 -4.094 -15.439 -11.654 131 2HB ASP 16 HB1 ASP 16 -2.348 -15.220 -11.586 132 H ALA 17 HN ALA 17 -2.213 -13.593 -9.074 133 HA ALA 17 HA ALA 17 0.504 -14.323 -9.020 134 1HB ALA 17 HB1 ALA 17 0.483 -12.106 -7.478 135 2HB ALA 17 HB2 ALA 17 -1.062 -11.937 -8.311 136 3HB ALA 17 HB3 ALA 17 0.429 -12.086 -9.241 137 H ALA 18 HN ALA 18 -1.871 -13.951 -6.343 138 HA ALA 18 HA ALA 18 0.006 -14.483 -4.284 139 1HB ALA 18 HB1 ALA 18 -1.766 -14.329 -2.886 140 2HB ALA 18 HB2 ALA 18 -2.781 -15.377 -3.877 141 3HB ALA 18 HB3 ALA 18 -2.565 -13.684 -4.319 142 H GLY 19 HN GLY 19 -2.614 -16.597 -5.431 143 1HA GLY 19 HA2 GLY 19 -2.485 -18.867 -6.104 144 2HA GLY 19 HA1 GLY 19 -0.805 -18.902 -5.591 145 H ASP 20 HN ASP 20 -0.304 -19.406 -3.424 146 HA ASP 20 HA ASP 20 -2.496 -20.725 -2.006 147 1HB ASP 20 HB2 ASP 20 -0.430 -22.012 -2.423 148 2HB ASP 20 HB1 ASP 20 0.478 -20.846 -1.466 149 H LYS 21 HN LYS 21 -0.876 -17.780 -1.904 150 HA LYS 21 HA LYS 21 -0.862 -17.386 0.921 151 1HB LYS 21 HB2 LYS 21 -0.659 -15.456 -1.394 152 2HB LYS 21 HB1 LYS 21 -0.497 -14.985 0.292 153 1HG LYS 21 HG2 LYS 21 1.494 -16.230 0.548 154 2HG LYS 21 HG1 LYS 21 1.255 -17.061 -0.989 155 1HD LYS 21 HD2 LYS 21 1.594 -14.966 -2.190 156 2HD LYS 21 HD1 LYS 21 1.780 -14.106 -0.658 157 1HE LYS 21 HE2 LYS 21 3.828 -15.107 -0.200 158 2HE LYS 21 HE1 LYS 21 3.533 -16.441 -1.314 159 1HZ LYS 21 HZ1 LYS 21 3.582 -14.597 -3.092 160 2HZ LYS 21 HZ2 LYS 21 5.045 -15.148 -2.446 161 3HZ LYS 21 HZ3 LYS 21 4.384 -13.686 -1.911 162 H LEU 22 HN LEU 22 -2.305 -16.026 2.107 163 HA LEU 22 HA LEU 22 -5.032 -16.261 1.249 164 1HB LEU 22 HB2 LEU 22 -4.629 -16.574 3.562 165 2HB LEU 22 HB1 LEU 22 -3.703 -15.096 3.681 166 HG LEU 22 HG LEU 22 -5.611 -13.745 3.712 167 1HD1 LEU 22 HD11 LEU 22 -6.825 -15.960 2.201 168 2HD1 LEU 22 HD12 LEU 22 -7.051 -14.217 2.047 169 3HD1 LEU 22 HD13 LEU 22 -7.898 -15.108 3.309 170 1HD2 LEU 22 HD21 LEU 22 -5.286 -15.358 5.687 171 2HD2 LEU 22 HD22 LEU 22 -6.712 -16.186 5.064 172 3HD2 LEU 22 HD23 LEU 22 -6.817 -14.496 5.559 173 H VAL 23 HN VAL 23 -6.208 -14.795 0.198 174 HA VAL 23 HA VAL 23 -5.036 -12.138 -0.216 175 HB VAL 23 HB VAL 23 -7.245 -13.322 -1.861 176 1HG1 VAL 23 HG11 VAL 23 -7.169 -11.295 -2.768 177 2HG1 VAL 23 HG12 VAL 23 -5.613 -11.760 -3.454 178 3HG1 VAL 23 HG13 VAL 23 -5.677 -10.890 -1.922 179 1HG2 VAL 23 HG21 VAL 23 -5.526 -14.955 -2.007 180 2HG2 VAL 23 HG22 VAL 23 -4.285 -13.716 -2.204 181 3HG2 VAL 23 HG23 VAL 23 -5.465 -13.994 -3.485 182 H VAL 24 HN VAL 24 -5.825 -10.678 1.092 183 HA VAL 24 HA VAL 24 -8.689 -10.720 1.757 184 HB VAL 24 HB VAL 24 -7.196 -10.745 3.714 185 1HG1 VAL 24 HG11 VAL 24 -5.556 -9.143 2.225 186 2HG1 VAL 24 HG12 VAL 24 -5.375 -9.480 3.945 187 3HG1 VAL 24 HG13 VAL 24 -6.210 -8.019 3.415 188 1HG2 VAL 24 HG21 VAL 24 -9.382 -9.188 3.408 189 2HG2 VAL 24 HG22 VAL 24 -8.189 -7.974 3.873 190 3HG2 VAL 24 HG23 VAL 24 -8.498 -9.354 4.925 191 H VAL 25 HN VAL 25 -9.865 -9.387 0.548 192 HA VAL 25 HA VAL 25 -8.573 -6.922 -0.387 193 HB VAL 25 HB VAL 25 -10.119 -7.141 -2.434 194 1HG1 VAL 25 HG11 VAL 25 -7.536 -7.764 -1.989 195 2HG1 VAL 25 HG12 VAL 25 -8.333 -7.896 -3.561 196 3HG1 VAL 25 HG13 VAL 25 -8.151 -9.320 -2.545 197 1HG2 VAL 25 HG21 VAL 25 -10.651 -9.643 -1.077 198 2HG2 VAL 25 HG22 VAL 25 -10.050 -9.887 -2.714 199 3HG2 VAL 25 HG23 VAL 25 -11.484 -8.899 -2.437 200 H ASP 26 HN ASP 26 -10.100 -5.204 -1.054 201 HA ASP 26 HA ASP 26 -12.495 -5.198 0.664 202 1HB ASP 26 HB2 ASP 26 -10.509 -3.882 1.585 203 2HB ASP 26 HB1 ASP 26 -10.777 -2.756 0.258 204 H PHE 27 HN PHE 27 -14.328 -4.474 -0.205 205 HA PHE 27 HA PHE 27 -14.226 -3.449 -2.958 206 1HB PHE 27 HB2 PHE 27 -16.145 -5.094 -1.423 207 2HB PHE 27 HB1 PHE 27 -16.872 -3.892 -2.494 208 HD1 PHE 27 HD1 PHE 27 -14.610 -6.794 -2.348 209 HD2 PHE 27 HD2 PHE 27 -16.810 -4.142 -4.847 210 HE1 PHE 27 HE1 PHE 27 -14.126 -8.235 -4.282 211 HE2 PHE 27 HE2 PHE 27 -16.345 -5.580 -6.790 212 HZ PHE 27 HZ PHE 27 -14.995 -7.624 -6.513 213 H SER 28 HN SER 28 -14.071 -1.300 -2.959 214 HA SER 28 HA SER 28 -15.794 0.197 -1.097 215 1HB SER 28 HB2 SER 28 -13.961 2.030 -1.444 216 2HB SER 28 HB1 SER 28 -13.673 0.692 -0.334 217 HG SER 28 HG SER 28 -11.890 0.950 -1.673 218 H ALA 29 HN ALA 29 -15.657 2.637 -1.895 219 HA ALA 29 HA ALA 29 -16.247 2.859 -4.743 220 1HB ALA 29 HB1 ALA 29 -18.366 2.266 -3.337 221 2HB ALA 29 HB2 ALA 29 -18.452 3.516 -4.577 222 3HB ALA 29 HB3 ALA 29 -18.301 3.968 -2.880 223 H THR 30 HN THR 30 -16.334 5.059 -5.490 224 HA THR 30 HA THR 30 -14.459 6.747 -4.174 225 HB THR 30 HB THR 30 -16.252 7.878 -6.255 226 HG1 THR 30 HG1 THR 30 -15.628 6.553 -7.813 227 1HG2 THR 30 HG21 THR 30 -13.677 8.418 -5.285 228 2HG2 THR 30 HG22 THR 30 -14.530 9.211 -6.610 229 3HG2 THR 30 HG23 THR 30 -13.481 7.831 -6.935 230 H TRP 31 HN TRP 31 -17.939 6.675 -4.508 231 HA TRP 31 HA TRP 31 -18.301 9.154 -3.036 232 1HB TRP 31 HB2 TRP 31 -20.726 8.711 -3.356 233 2HB TRP 31 HB1 TRP 31 -19.822 8.703 -4.867 234 HD1 TRP 31 HD1 TRP 31 -19.364 6.242 -5.983 235 HE1 TRP 31 HE1 TRP 31 -20.768 4.090 -5.865 236 HE3 TRP 31 HE3 TRP 31 -22.257 7.382 -1.927 237 HZ2 TRP 31 HZ2 TRP 31 -22.832 3.018 -4.267 238 HZ3 TRP 31 HZ3 TRP 31 -23.924 5.740 -1.169 239 HH2 TRP 31 HH2 TRP 31 -24.204 3.603 -2.315 240 H CYS 32 HN CYS 32 -17.249 6.432 -1.901 241 HA CYS 32 HA CYS 32 -19.151 6.139 0.298 242 1HB CYS 32 HB2 CYS 32 -18.300 4.094 -0.896 243 2HB CYS 32 HB1 CYS 32 -16.696 4.466 -0.273 244 H GLY 33 HN GLY 33 -18.626 6.563 2.408 245 1HA GLY 33 HA2 GLY 33 -16.231 8.220 2.774 246 2HA GLY 33 HA1 GLY 33 -17.623 8.164 3.849 247 HA PRO 34 HA PRO 34 -15.876 5.275 6.665 248 1HB PRO 34 HB2 PRO 34 -17.721 3.130 5.727 249 2HB PRO 34 HB1 PRO 34 -17.418 3.718 7.366 250 1HG PRO 34 HG2 PRO 34 -19.645 4.396 6.076 251 2HG PRO 34 HG1 PRO 34 -18.793 5.567 7.100 252 1HD PRO 34 HD2 PRO 34 -18.879 5.361 4.125 253 2HD PRO 34 HD1 PRO 34 -18.812 6.802 5.157 254 H CYS 35 HN CYS 35 -16.354 4.155 3.379 255 HA CYS 35 HA CYS 35 -14.743 1.860 3.435 256 1HB CYS 35 HB2 CYS 35 -15.265 3.785 1.158 257 2HB CYS 35 HB1 CYS 35 -14.531 2.195 0.979 258 H LYS 36 HN LYS 36 -13.965 5.244 2.773 259 HA LYS 36 HA LYS 36 -11.236 4.843 2.157 260 1HB LYS 36 HB2 LYS 36 -12.902 7.203 2.952 261 2HB LYS 36 HB1 LYS 36 -11.151 7.356 2.905 262 1HG LYS 36 HG2 LYS 36 -11.066 7.282 0.650 263 2HG LYS 36 HG1 LYS 36 -12.425 6.162 0.525 264 1HD LYS 36 HD2 LYS 36 -13.087 8.282 -0.398 265 2HD LYS 36 HD1 LYS 36 -13.948 8.033 1.122 266 1HE LYS 36 HE2 LYS 36 -12.724 9.640 2.235 267 2HE LYS 36 HE1 LYS 36 -11.356 9.513 1.130 268 1HZ LYS 36 HZ1 LYS 36 -12.288 10.940 -0.336 269 2HZ LYS 36 HZ2 LYS 36 -13.053 11.523 1.056 270 3HZ LYS 36 HZ3 LYS 36 -13.876 10.472 0.017 271 H MET 37 HN MET 37 -12.979 5.152 5.158 272 HA MET 37 HA MET 37 -10.782 5.822 6.809 273 1HB MET 37 HB2 MET 37 -13.497 4.649 7.338 274 2HB MET 37 HB1 MET 37 -12.323 4.846 8.632 275 1HG MET 37 HG2 MET 37 -12.251 7.307 7.545 276 2HG MET 37 HG1 MET 37 -13.919 6.854 7.196 277 1HE MET 37 HE1 MET 37 -13.955 9.398 9.704 278 2HE MET 37 HE2 MET 37 -15.444 8.456 9.786 279 3HE MET 37 HE3 MET 37 -14.646 8.712 8.234 280 H ILE 38 HN ILE 38 -11.774 2.836 5.364 281 HA ILE 38 HA ILE 38 -10.335 1.203 7.285 282 HB ILE 38 HB ILE 38 -11.565 0.379 4.655 283 1HG1 ILE 38 HG12 ILE 38 -13.131 1.444 6.386 284 2HG1 ILE 38 HG11 ILE 38 -13.569 -0.150 5.782 285 1HG2 ILE 38 HG21 ILE 38 -10.647 -1.204 7.048 286 2HG2 ILE 38 HG22 ILE 38 -9.959 -1.226 5.424 287 3HG2 ILE 38 HG23 ILE 38 -11.576 -1.872 5.706 288 1HD1 ILE 38 HD11 ILE 38 -13.361 -1.103 7.797 289 2HD1 ILE 38 HD12 ILE 38 -13.521 0.550 8.391 290 3HD1 ILE 38 HD13 ILE 38 -11.921 -0.169 8.205 291 H LYS 39 HN LYS 39 -9.765 2.770 4.250 292 HA LYS 39 HA LYS 39 -7.793 1.234 3.095 293 1HB LYS 39 HB2 LYS 39 -8.584 4.054 3.016 294 2HB LYS 39 HB1 LYS 39 -6.883 3.796 2.656 295 1HG LYS 39 HG2 LYS 39 -7.467 2.248 0.882 296 2HG LYS 39 HG1 LYS 39 -9.180 2.432 1.266 297 1HD LYS 39 HD2 LYS 39 -9.253 4.614 0.465 298 2HD LYS 39 HD1 LYS 39 -7.505 4.822 0.593 299 1HE LYS 39 HE2 LYS 39 -7.173 3.274 -1.258 300 2HE LYS 39 HE1 LYS 39 -8.914 3.015 -1.369 301 1HZ LYS 39 HZ1 LYS 39 -7.312 5.268 -2.267 302 2HZ LYS 39 HZ2 LYS 39 -8.810 5.656 -1.583 303 3HZ LYS 39 HZ3 LYS 39 -8.733 4.620 -2.919 304 HA PRO 40 HA PRO 40 -4.528 3.828 5.807 305 1HB PRO 40 HB2 PRO 40 -6.338 3.974 8.178 306 2HB PRO 40 HB1 PRO 40 -5.079 5.099 7.652 307 1HG PRO 40 HG2 PRO 40 -7.651 5.658 7.249 308 2HG PRO 40 HG1 PRO 40 -6.428 6.058 6.028 309 1HD PRO 40 HD2 PRO 40 -8.453 3.875 6.040 310 2HD PRO 40 HD1 PRO 40 -7.777 4.785 4.675 311 H PHE 41 HN PHE 41 -6.907 1.812 7.562 312 HA PHE 41 HA PHE 41 -4.851 0.382 8.962 313 1HB PHE 41 HB2 PHE 41 -7.744 -0.421 8.673 314 2HB PHE 41 HB1 PHE 41 -6.626 -0.871 9.953 315 HD1 PHE 41 HD1 PHE 41 -5.481 1.464 10.975 316 HD2 PHE 41 HD2 PHE 41 -9.401 0.963 9.399 317 HE1 PHE 41 HE1 PHE 41 -6.260 3.374 12.313 318 HE2 PHE 41 HE2 PHE 41 -10.187 2.873 10.733 319 HZ PHE 41 HZ PHE 41 -8.615 4.083 12.192 320 H PHE 42 HN PHE 42 -6.659 -0.126 5.997 321 HA PHE 42 HA PHE 42 -6.144 -2.909 5.777 322 1HB PHE 42 HB2 PHE 42 -7.806 -1.316 4.459 323 2HB PHE 42 HB1 PHE 42 -6.448 -1.203 3.344 324 HD1 PHE 42 HD1 PHE 42 -8.485 -3.743 5.155 325 HD2 PHE 42 HD2 PHE 42 -6.243 -2.776 1.666 326 HE1 PHE 42 HE1 PHE 42 -9.152 -5.881 4.137 327 HE2 PHE 42 HE2 PHE 42 -6.917 -4.907 0.640 328 HZ PHE 42 HZ PHE 42 -8.372 -6.464 1.876 329 H HIS 43 HN HIS 43 -4.584 -0.027 4.435 330 HA HIS 43 HA HIS 43 -2.556 -1.438 3.062 331 1HB HIS 43 HB2 HIS 43 -3.389 1.178 3.132 332 2HB HIS 43 HB1 HIS 43 -1.819 1.263 3.925 333 HD1 HIS 43 HD1 HIS 43 -3.230 1.477 0.655 334 HD2 HIS 43 HD2 HIS 43 0.193 -0.244 2.248 335 HE1 HIS 43 HE1 HIS 43 -1.627 1.159 -1.276 336 H SER 44 HN SER 44 -2.637 0.038 6.315 337 HA SER 44 HA SER 44 0.063 -0.314 6.929 338 1HB SER 44 HB2 SER 44 -1.887 0.893 8.225 339 2HB SER 44 HB1 SER 44 -2.031 -0.662 9.045 340 HG SER 44 HG SER 44 -0.578 0.879 10.055 341 H LEU 45 HN LEU 45 -2.698 -2.505 7.407 342 HA LEU 45 HA LEU 45 -1.312 -4.538 8.743 343 1HB LEU 45 HB2 LEU 45 -3.725 -4.617 6.940 344 2HB LEU 45 HB1 LEU 45 -3.109 -6.046 7.744 345 HG LEU 45 HG LEU 45 -3.803 -3.618 9.353 346 1HD1 LEU 45 HD11 LEU 45 -5.879 -5.689 9.054 347 2HD1 LEU 45 HD12 LEU 45 -5.662 -4.602 7.682 348 3HD1 LEU 45 HD13 LEU 45 -6.032 -3.946 9.276 349 1HD2 LEU 45 HD21 LEU 45 -3.907 -5.082 11.138 350 2HD2 LEU 45 HD22 LEU 45 -2.592 -5.760 10.178 351 3HD2 LEU 45 HD23 LEU 45 -4.199 -6.484 10.108 352 H SER 46 HN SER 46 -1.758 -3.881 5.303 353 HA SER 46 HA SER 46 -0.687 -6.187 4.216 354 1HB SER 46 HB2 SER 46 -1.769 -4.411 2.891 355 2HB SER 46 HB1 SER 46 -0.389 -3.355 3.182 356 HG SER 46 HG SER 46 0.281 -4.232 1.380 357 H GLU 47 HN GLU 47 0.934 -3.524 5.811 358 HA GLU 47 HA GLU 47 3.549 -4.374 4.888 359 1HB GLU 47 HB2 GLU 47 2.466 -2.056 6.392 360 2HB GLU 47 HB1 GLU 47 4.126 -2.518 6.734 361 1HG GLU 47 HG2 GLU 47 4.677 -2.302 4.364 362 2HG GLU 47 HG1 GLU 47 3.012 -1.831 4.023 363 H LYS 48 HN LYS 48 1.434 -5.014 7.492 364 HA LYS 48 HA LYS 48 3.598 -5.942 9.235 365 1HB LYS 48 HB2 LYS 48 1.533 -4.628 10.056 366 2HB LYS 48 HB1 LYS 48 0.646 -6.127 9.819 367 1HG LYS 48 HG2 LYS 48 2.445 -7.186 11.320 368 2HG LYS 48 HG1 LYS 48 2.831 -5.526 11.773 369 1HD LYS 48 HD2 LYS 48 1.273 -5.908 13.371 370 2HD LYS 48 HD1 LYS 48 0.162 -5.469 12.072 371 1HE LYS 48 HE2 LYS 48 -0.813 -7.430 12.596 372 2HE LYS 48 HE1 LYS 48 0.458 -8.101 11.577 373 1HZ LYS 48 HZ1 LYS 48 1.793 -8.211 13.738 374 2HZ LYS 48 HZ2 LYS 48 0.567 -9.354 13.511 375 3HZ LYS 48 HZ3 LYS 48 0.307 -8.024 14.524 376 H TYR 49 HN TYR 49 1.277 -7.064 6.980 377 HA TYR 49 HA TYR 49 1.548 -9.849 7.847 378 1HB TYR 49 HB2 TYR 49 -0.369 -8.341 6.129 379 2HB TYR 49 HB1 TYR 49 -0.134 -10.056 5.801 380 HD1 TYR 49 HD1 TYR 49 -1.161 -11.696 7.162 381 HD2 TYR 49 HD2 TYR 49 -1.090 -7.639 8.447 382 HE1 TYR 49 HE1 TYR 49 -2.702 -12.258 8.988 383 HE2 TYR 49 HE2 TYR 49 -2.633 -8.190 10.280 384 HH TYR 49 HH TYR 49 -3.225 -11.227 11.342 385 H SER 50 HN SER 50 3.630 -10.329 7.176 386 HA SER 50 HA SER 50 4.459 -9.824 4.452 387 1HB SER 50 HB2 SER 50 5.889 -9.896 6.682 388 2HB SER 50 HB1 SER 50 5.997 -11.612 6.288 389 HG SER 50 HG SER 50 7.705 -10.329 5.388 390 H ASN 51 HN ASN 51 2.187 -11.401 4.330 391 HA ASN 51 HA ASN 51 3.239 -13.679 2.972 392 1HB ASN 51 HB2 ASN 51 2.882 -14.279 5.523 393 2HB ASN 51 HB1 ASN 51 1.208 -14.472 5.002 394 1HD2 ASN 51 HD21 ASN 51 1.597 -16.737 5.614 395 2HD2 ASN 51 HD22 ASN 51 2.331 -17.781 4.453 396 H VAL 52 HN VAL 52 0.412 -11.893 4.086 397 HA VAL 52 HA VAL 52 -1.236 -13.053 1.978 398 HB VAL 52 HB VAL 52 -3.085 -11.890 2.938 399 1HG1 VAL 52 HG11 VAL 52 -3.100 -13.509 4.464 400 2HG1 VAL 52 HG12 VAL 52 -2.321 -12.372 5.562 401 3HG1 VAL 52 HG13 VAL 52 -1.343 -13.484 4.605 402 1HG2 VAL 52 HG21 VAL 52 -2.344 -10.443 5.093 403 2HG2 VAL 52 HG22 VAL 52 -2.628 -9.769 3.488 404 3HG2 VAL 52 HG23 VAL 52 -0.986 -10.143 4.008 405 H ILE 53 HN ILE 53 -2.388 -11.701 0.444 406 HA ILE 53 HA ILE 53 -0.809 -9.348 -0.343 407 HB ILE 53 HB ILE 53 -1.240 -11.449 -1.877 408 1HG1 ILE 53 HG12 ILE 53 -1.465 -9.686 -3.862 409 2HG1 ILE 53 HG11 ILE 53 -1.119 -8.558 -2.556 410 1HG2 ILE 53 HG21 ILE 53 -3.152 -11.456 -3.212 411 2HG2 ILE 53 HG22 ILE 53 -3.614 -9.828 -2.719 412 3HG2 ILE 53 HG23 ILE 53 -3.761 -11.168 -1.582 413 1HD1 ILE 53 HD11 ILE 53 0.742 -9.844 -4.051 414 2HD1 ILE 53 HD12 ILE 53 0.648 -10.876 -2.625 415 3HD1 ILE 53 HD13 ILE 53 1.026 -9.162 -2.449 416 H PHE 54 HN PHE 54 -1.623 -7.450 0.124 417 HA PHE 54 HA PHE 54 -4.514 -7.140 0.519 418 1HB PHE 54 HB2 PHE 54 -2.103 -5.628 1.411 419 2HB PHE 54 HB1 PHE 54 -3.601 -4.758 1.220 420 HD1 PHE 54 HD1 PHE 54 -2.560 -8.026 2.720 421 HD2 PHE 54 HD2 PHE 54 -4.773 -4.414 3.112 422 HE1 PHE 54 HE1 PHE 54 -3.324 -8.723 4.961 423 HE2 PHE 54 HE2 PHE 54 -5.535 -5.111 5.341 424 HZ PHE 54 HZ PHE 54 -4.806 -7.269 6.268 425 H LEU 55 HN LEU 55 -5.648 -6.399 -1.155 426 HA LEU 55 HA LEU 55 -4.399 -4.370 -2.833 427 1HB LEU 55 HB2 LEU 55 -4.865 -5.399 -4.782 428 2HB LEU 55 HB1 LEU 55 -4.515 -6.793 -3.773 429 HG LEU 55 HG LEU 55 -7.087 -6.727 -3.384 430 1HD1 LEU 55 HD11 LEU 55 -6.640 -4.819 -5.497 431 2HD1 LEU 55 HD12 LEU 55 -8.073 -5.106 -4.515 432 3HD1 LEU 55 HD13 LEU 55 -7.780 -6.084 -5.948 433 1HD2 LEU 55 HD21 LEU 55 -7.331 -8.241 -5.353 434 2HD2 LEU 55 HD22 LEU 55 -5.942 -8.611 -4.331 435 3HD2 LEU 55 HD23 LEU 55 -5.711 -7.754 -5.854 436 H GLU 56 HN GLU 56 -6.113 -3.257 -4.253 437 HA GLU 56 HA GLU 56 -8.550 -2.928 -2.626 438 1HB GLU 56 HB2 GLU 56 -6.658 -1.103 -2.881 439 2HB GLU 56 HB1 GLU 56 -7.557 -0.743 -4.347 440 1HG GLU 56 HG2 GLU 56 -8.941 0.489 -3.137 441 2HG GLU 56 HG1 GLU 56 -9.482 -0.988 -2.339 442 H VAL 57 HN VAL 57 -10.397 -3.318 -3.600 443 HA VAL 57 HA VAL 57 -10.498 -3.194 -6.541 444 HB VAL 57 HB VAL 57 -12.439 -4.694 -4.795 445 1HG1 VAL 57 HG11 VAL 57 -12.771 -5.929 -6.939 446 2HG1 VAL 57 HG12 VAL 57 -11.726 -4.737 -7.713 447 3HG1 VAL 57 HG13 VAL 57 -13.249 -4.231 -6.982 448 1HG2 VAL 57 HG21 VAL 57 -9.897 -5.712 -6.055 449 2HG2 VAL 57 HG22 VAL 57 -11.174 -6.741 -5.406 450 3HG2 VAL 57 HG23 VAL 57 -10.281 -5.659 -4.334 451 H ASP 58 HN ASP 58 -11.466 -1.427 -7.258 452 HA ASP 58 HA ASP 58 -13.462 -0.092 -5.603 453 1HB ASP 58 HB2 ASP 58 -11.695 1.302 -6.542 454 2HB ASP 58 HB1 ASP 58 -12.077 0.739 -8.168 455 H VAL 59 HN VAL 59 -15.527 -0.640 -5.869 456 HA VAL 59 HA VAL 59 -16.472 -2.260 -7.933 457 HB VAL 59 HB VAL 59 -17.593 -2.023 -5.734 458 1HG1 VAL 59 HG11 VAL 59 -18.330 0.672 -6.831 459 2HG1 VAL 59 HG12 VAL 59 -17.571 0.277 -5.292 460 3HG1 VAL 59 HG13 VAL 59 -19.263 -0.121 -5.563 461 1HG2 VAL 59 HG21 VAL 59 -18.699 -2.678 -8.079 462 2HG2 VAL 59 HG22 VAL 59 -19.730 -1.314 -7.645 463 3HG2 VAL 59 HG23 VAL 59 -19.588 -2.695 -6.557 464 H ASP 60 HN ASP 60 -15.962 1.136 -7.876 465 HA ASP 60 HA ASP 60 -17.840 1.908 -9.838 466 1HB ASP 60 HB2 ASP 60 -16.086 3.260 -8.252 467 2HB ASP 60 HB1 ASP 60 -15.256 3.345 -9.802 468 H ASP 61 HN ASP 61 -14.557 0.682 -9.993 469 HA ASP 61 HA ASP 61 -14.664 0.733 -12.927 470 1HB ASP 61 HB2 ASP 61 -12.349 0.186 -11.067 471 2HB ASP 61 HB1 ASP 61 -12.249 0.173 -12.826 472 H ALA 62 HN ALA 62 -14.287 -1.502 -10.218 473 HA ALA 62 HA ALA 62 -14.263 -3.773 -12.046 474 1HB ALA 62 HB1 ALA 62 -14.243 -4.174 -9.108 475 2HB ALA 62 HB2 ALA 62 -12.823 -3.434 -9.848 476 3HB ALA 62 HB3 ALA 62 -13.365 -5.027 -10.376 477 H GLN 63 HN GLN 63 -16.623 -2.542 -12.302 478 HA GLN 63 HA GLN 63 -18.589 -3.579 -10.490 479 1HB GLN 63 HB2 GLN 63 -18.646 -1.436 -12.061 480 2HB GLN 63 HB1 GLN 63 -19.379 -2.581 -13.178 481 1HG GLN 63 HG2 GLN 63 -20.996 -3.164 -11.342 482 2HG GLN 63 HG1 GLN 63 -20.359 -1.783 -10.454 483 1HE2 GLN 63 HE21 GLN 63 -22.977 -2.564 -11.905 484 2HE2 GLN 63 HE22 GLN 63 -23.374 -1.138 -12.798 485 H ASP 64 HN ASP 64 -16.793 -5.034 -12.834 486 HA ASP 64 HA ASP 64 -18.919 -6.767 -13.829 487 1HB ASP 64 HB2 ASP 64 -16.106 -6.181 -14.597 488 2HB ASP 64 HB1 ASP 64 -16.676 -7.819 -14.902 489 H VAL 65 HN VAL 65 -16.383 -6.694 -11.478 490 HA VAL 65 HA VAL 65 -16.322 -9.556 -11.100 491 HB VAL 65 HB VAL 65 -14.901 -8.973 -9.075 492 1HG1 VAL 65 HG11 VAL 65 -12.964 -8.277 -10.492 493 2HG1 VAL 65 HG12 VAL 65 -14.093 -8.078 -11.833 494 3HG1 VAL 65 HG13 VAL 65 -13.860 -9.668 -11.106 495 1HG2 VAL 65 HG21 VAL 65 -14.012 -6.740 -8.905 496 2HG2 VAL 65 HG22 VAL 65 -15.767 -6.673 -8.781 497 3HG2 VAL 65 HG23 VAL 65 -14.970 -6.211 -10.285 498 H ALA 66 HN ALA 66 -17.513 -6.740 -9.219 499 HA ALA 66 HA ALA 66 -18.429 -7.973 -6.977 500 1HB ALA 66 HB1 ALA 66 -18.751 -5.489 -8.220 501 2HB ALA 66 HB2 ALA 66 -19.163 -5.924 -6.562 502 3HB ALA 66 HB3 ALA 66 -20.378 -6.048 -7.834 503 HA PRO 67 HA PRO 67 -22.829 -8.662 -9.131 504 1HB PRO 67 HB2 PRO 67 -21.718 -9.059 -11.876 505 2HB PRO 67 HB1 PRO 67 -23.276 -8.380 -11.384 506 1HG PRO 67 HG2 PRO 67 -21.346 -6.759 -12.174 507 2HG PRO 67 HG1 PRO 67 -22.326 -6.332 -10.763 508 1HD PRO 67 HD2 PRO 67 -19.551 -7.438 -10.893 509 2HD PRO 67 HD1 PRO 67 -20.219 -6.191 -9.819 510 H LYS 68 HN LYS 68 -19.828 -10.192 -10.064 511 HA LYS 68 HA LYS 68 -21.004 -12.773 -10.527 512 1HB LYS 68 HB2 LYS 68 -18.254 -11.649 -10.538 513 2HB LYS 68 HB1 LYS 68 -18.430 -13.387 -10.329 514 1HG LYS 68 HG2 LYS 68 -19.424 -13.661 -12.419 515 2HG LYS 68 HG1 LYS 68 -19.823 -11.948 -12.553 516 1HD LYS 68 HD2 LYS 68 -17.660 -11.353 -13.115 517 2HD LYS 68 HD1 LYS 68 -16.964 -12.804 -12.388 518 1HE LYS 68 HE2 LYS 68 -18.833 -13.234 -14.634 519 2HE LYS 68 HE1 LYS 68 -17.293 -12.476 -15.040 520 1HZ LYS 68 HZ1 LYS 68 -17.323 -14.889 -13.361 521 2HZ LYS 68 HZ2 LYS 68 -16.114 -14.319 -14.396 522 3HZ LYS 68 HZ3 LYS 68 -17.502 -15.042 -15.037 523 H TYR 69 HN TYR 69 -19.907 -11.051 -7.746 524 HA TYR 69 HA TYR 69 -19.814 -13.535 -6.149 525 1HB TYR 69 HB2 TYR 69 -18.812 -10.747 -5.526 526 2HB TYR 69 HB1 TYR 69 -18.751 -12.114 -4.430 527 HD1 TYR 69 HD1 TYR 69 -17.581 -14.287 -5.555 528 HD2 TYR 69 HD2 TYR 69 -16.888 -10.238 -6.657 529 HE1 TYR 69 HE1 TYR 69 -15.412 -14.925 -6.518 530 HE2 TYR 69 HE2 TYR 69 -14.716 -10.865 -7.623 531 HH TYR 69 HH TYR 69 -13.852 -13.995 -8.308 532 H GLY 70 HN GLY 70 -21.827 -11.071 -6.993 533 1HA GLY 70 HA2 GLY 70 -23.881 -10.393 -6.223 534 2HA GLY 70 HA1 GLY 70 -23.826 -11.767 -5.129 535 H ILE 71 HN ILE 71 -21.541 -9.039 -5.212 536 HA ILE 71 HA ILE 71 -21.905 -8.626 -2.397 537 HB ILE 71 HB ILE 71 -20.379 -6.937 -4.395 538 1HG1 ILE 71 HG12 ILE 71 -19.379 -9.042 -2.465 539 2HG1 ILE 71 HG11 ILE 71 -19.532 -9.262 -4.203 540 1HG2 ILE 71 HG21 ILE 71 -21.132 -5.916 -2.152 541 2HG2 ILE 71 HG22 ILE 71 -19.437 -5.770 -2.616 542 3HG2 ILE 71 HG23 ILE 71 -19.926 -6.984 -1.435 543 1HD1 ILE 71 HD11 ILE 71 -17.380 -8.672 -4.237 544 2HD1 ILE 71 HD12 ILE 71 -17.465 -7.899 -2.655 545 3HD1 ILE 71 HD13 ILE 71 -18.001 -7.028 -4.090 546 H ARG 72 HN ARG 72 -23.137 -7.106 -1.398 547 HA ARG 72 HA ARG 72 -24.345 -4.965 -2.963 548 1HB ARG 72 HB2 ARG 72 -25.929 -6.784 -3.209 549 2HB ARG 72 HB1 ARG 72 -25.942 -7.055 -1.474 550 1HG ARG 72 HG2 ARG 72 -27.398 -5.389 -1.095 551 2HG ARG 72 HG1 ARG 72 -26.683 -4.340 -2.321 552 1HD ARG 72 HD2 ARG 72 -27.731 -5.921 -4.034 553 2HD ARG 72 HD1 ARG 72 -28.665 -6.570 -2.687 554 HE ARG 72 HE ARG 72 -28.950 -3.792 -2.690 555 1HH1 ARG 72 HH11 ARG 72 -29.826 -6.534 -4.663 556 2HH1 ARG 72 HH12 ARG 72 -31.247 -5.778 -5.302 557 1HH2 ARG 72 HH21 ARG 72 -30.819 -2.798 -3.529 558 2HH2 ARG 72 HH22 ARG 72 -31.811 -3.658 -4.660 559 H GLY 73 HN GLY 73 -22.515 -4.259 -1.304 560 1HA GLY 73 HA2 GLY 73 -23.545 -2.484 0.476 561 2HA GLY 73 HA1 GLY 73 -23.442 -3.962 1.413 562 H ILE 74 HN ILE 74 -21.894 -1.173 0.690 563 HA ILE 74 HA ILE 74 -19.200 -2.280 1.146 564 HB ILE 74 HB ILE 74 -18.430 0.030 0.443 565 1HG1 ILE 74 HG12 ILE 74 -21.292 0.250 -0.516 566 2HG1 ILE 74 HG11 ILE 74 -20.604 1.156 0.827 567 1HG2 ILE 74 HG21 ILE 74 -18.271 -1.857 -1.068 568 2HG2 ILE 74 HG22 ILE 74 -18.733 -0.408 -1.960 569 3HG2 ILE 74 HG23 ILE 74 -19.946 -1.627 -1.570 570 1HD1 ILE 74 HD11 ILE 74 -20.741 1.976 -1.784 571 2HD1 ILE 74 HD12 ILE 74 -19.068 1.440 -1.621 572 3HD1 ILE 74 HD13 ILE 74 -19.711 2.668 -0.531 573 HA PRO 75 HA PRO 75 -17.249 -1.196 1.628 574 1HB PRO 75 HB2 PRO 75 -15.447 -1.366 3.596 575 2HB PRO 75 HB1 PRO 75 -15.988 0.203 2.991 576 1HG PRO 75 HG2 PRO 75 -16.813 -1.258 5.465 577 2HG PRO 75 HG1 PRO 75 -16.482 0.469 5.241 578 1HD PRO 75 HD2 PRO 75 -19.004 -0.656 5.271 579 2HD PRO 75 HD1 PRO 75 -18.600 0.893 4.508 580 H THR 76 HN THR 76 -17.382 -3.293 0.957 581 HA THR 76 HA THR 76 -17.814 -5.416 2.887 582 HB THR 76 HB THR 76 -17.306 -6.223 0.120 583 HG1 THR 76 HG1 THR 76 -18.460 -4.779 -0.820 584 1HG2 THR 76 HG21 THR 76 -19.173 -6.852 2.268 585 2HG2 THR 76 HG22 THR 76 -18.501 -7.875 0.998 586 3HG2 THR 76 HG23 THR 76 -19.898 -6.853 0.659 587 H LEU 77 HN LEU 77 -16.353 -6.945 3.451 588 HA LEU 77 HA LEU 77 -13.638 -6.633 2.363 589 1HB LEU 77 HB2 LEU 77 -14.532 -6.733 5.040 590 2HB LEU 77 HB1 LEU 77 -13.737 -8.268 4.741 591 HG LEU 77 HG LEU 77 -11.768 -6.906 3.855 592 1HD1 LEU 77 HD11 LEU 77 -13.557 -4.770 4.848 593 2HD1 LEU 77 HD12 LEU 77 -12.380 -4.750 3.534 594 3HD1 LEU 77 HD13 LEU 77 -11.837 -4.614 5.206 595 1HD2 LEU 77 HD21 LEU 77 -12.579 -6.820 6.755 596 2HD2 LEU 77 HD22 LEU 77 -10.961 -6.431 6.170 597 3HD2 LEU 77 HD23 LEU 77 -11.613 -8.054 5.946 598 H LEU 78 HN LEU 78 -12.904 -8.215 1.118 599 HA LEU 78 HA LEU 78 -14.351 -10.772 1.205 600 1HB LEU 78 HB2 LEU 78 -13.341 -9.094 -1.033 601 2HB LEU 78 HB1 LEU 78 -13.316 -10.825 -1.262 602 HG LEU 78 HG LEU 78 -15.655 -8.979 -1.026 603 1HD1 LEU 78 HD11 LEU 78 -14.751 -9.722 -3.208 604 2HD1 LEU 78 HD12 LEU 78 -16.438 -10.159 -2.945 605 3HD1 LEU 78 HD13 LEU 78 -15.174 -11.377 -2.775 606 1HD2 LEU 78 HD21 LEU 78 -16.314 -10.452 0.658 607 2HD2 LEU 78 HD22 LEU 78 -15.602 -11.845 -0.155 608 3HD2 LEU 78 HD23 LEU 78 -17.069 -11.106 -0.796 609 H LEU 79 HN LEU 79 -13.273 -12.622 1.412 610 HA LEU 79 HA LEU 79 -10.339 -12.475 1.526 611 1HB LEU 79 HB2 LEU 79 -12.356 -13.772 3.268 612 2HB LEU 79 HB1 LEU 79 -10.878 -14.671 2.985 613 HG LEU 79 HG LEU 79 -10.748 -13.390 5.051 614 1HD1 LEU 79 HD11 LEU 79 -8.938 -12.912 2.777 615 2HD1 LEU 79 HD12 LEU 79 -8.608 -13.573 4.378 616 3HD1 LEU 79 HD13 LEU 79 -8.753 -11.830 4.156 617 1HD2 LEU 79 HD21 LEU 79 -12.261 -11.532 3.917 618 2HD2 LEU 79 HD22 LEU 79 -10.687 -10.807 3.592 619 3HD2 LEU 79 HD23 LEU 79 -11.169 -11.162 5.251 620 H PHE 80 HN PHE 80 -9.461 -13.423 -0.177 621 HA PHE 80 HA PHE 80 -10.810 -15.747 -1.355 622 1HB PHE 80 HB2 PHE 80 -8.863 -13.743 -2.461 623 2HB PHE 80 HB1 PHE 80 -9.157 -15.267 -3.276 624 HD1 PHE 80 HD1 PHE 80 -10.757 -12.194 -2.049 625 HD2 PHE 80 HD2 PHE 80 -11.055 -15.549 -4.648 626 HE1 PHE 80 HE1 PHE 80 -12.732 -11.185 -3.110 627 HE2 PHE 80 HE2 PHE 80 -13.037 -14.548 -5.722 628 HZ PHE 80 HZ PHE 80 -13.878 -12.364 -4.950 629 H LYS 81 HN LYS 81 -9.767 -17.667 -1.637 630 HA LYS 81 HA LYS 81 -7.004 -17.948 -0.729 631 1HB LYS 81 HB2 LYS 81 -8.930 -18.410 1.079 632 2HB LYS 81 HB1 LYS 81 -8.953 -19.972 0.270 633 1HG LYS 81 HG2 LYS 81 -6.953 -20.587 1.105 634 2HG LYS 81 HG1 LYS 81 -6.296 -18.952 1.038 635 1HD LYS 81 HD2 LYS 81 -7.722 -18.371 3.001 636 2HD LYS 81 HD1 LYS 81 -8.197 -20.067 3.100 637 1HE LYS 81 HE2 LYS 81 -5.445 -18.893 3.469 638 2HE LYS 81 HE1 LYS 81 -6.433 -19.725 4.670 639 1HZ LYS 81 HZ1 LYS 81 -4.919 -20.848 2.413 640 2HZ LYS 81 HZ2 LYS 81 -6.285 -21.669 2.979 641 3HZ LYS 81 HZ3 LYS 81 -4.988 -21.367 4.022 642 H ASN 82 HN ASN 82 -6.041 -18.892 -2.437 643 HA ASN 82 HA ASN 82 -5.644 -20.306 -4.184 644 1HB ASN 82 HB2 ASN 82 -7.802 -22.093 -3.081 645 2HB ASN 82 HB1 ASN 82 -6.390 -22.552 -4.027 646 1HD2 ASN 82 HD21 ASN 82 -4.315 -21.481 -2.855 647 2HD2 ASN 82 HD22 ASN 82 -4.161 -21.978 -1.207 648 H GLY 83 HN GLY 83 -7.229 -18.193 -4.709 649 1HA GLY 83 HA2 GLY 83 -8.544 -17.391 -6.410 650 2HA GLY 83 HA1 GLY 83 -8.576 -19.016 -7.059 651 H GLU 84 HN GLU 84 -9.714 -19.189 -3.922 652 HA GLU 84 HA GLU 84 -12.488 -18.809 -4.835 653 1HB GLU 84 HB2 GLU 84 -11.535 -21.229 -4.509 654 2HB GLU 84 HB1 GLU 84 -11.804 -20.891 -2.806 655 1HG GLU 84 HG2 GLU 84 -14.184 -20.149 -3.805 656 2HG GLU 84 HG1 GLU 84 -13.733 -21.394 -4.971 657 H VAL 85 HN VAL 85 -13.926 -17.893 -3.478 658 HA VAL 85 HA VAL 85 -13.002 -16.220 -1.394 659 HB VAL 85 HB VAL 85 -15.852 -17.118 -1.855 660 1HG1 VAL 85 HG11 VAL 85 -16.152 -14.638 -1.055 661 2HG1 VAL 85 HG12 VAL 85 -14.566 -14.903 -0.332 662 3HG1 VAL 85 HG13 VAL 85 -15.921 -15.938 0.115 663 1HG2 VAL 85 HG21 VAL 85 -15.334 -16.325 -3.947 664 2HG2 VAL 85 HG22 VAL 85 -14.135 -15.184 -3.337 665 3HG2 VAL 85 HG23 VAL 85 -15.855 -14.842 -3.148 666 H ALA 86 HN ALA 86 -12.399 -16.879 0.614 667 HA ALA 86 HA ALA 86 -13.695 -19.268 1.703 668 1HB ALA 86 HB1 ALA 86 -11.610 -19.083 3.322 669 2HB ALA 86 HB2 ALA 86 -10.944 -18.208 1.944 670 3HB ALA 86 HB3 ALA 86 -11.501 -19.870 1.747 671 H ALA 87 HN ALA 87 -13.927 -16.074 1.950 672 HA ALA 87 HA ALA 87 -15.494 -16.148 4.297 673 1HB ALA 87 HB1 ALA 87 -13.201 -14.393 4.876 674 2HB ALA 87 HB2 ALA 87 -12.902 -16.127 4.990 675 3HB ALA 87 HB3 ALA 87 -14.178 -15.386 5.956 676 H THR 88 HN THR 88 -16.663 -14.249 4.650 677 HA THR 88 HA THR 88 -16.042 -11.956 2.937 678 HB THR 88 HB THR 88 -17.673 -13.076 1.616 679 HG1 THR 88 HG1 THR 88 -18.806 -11.340 1.391 680 1HG2 THR 88 HG21 THR 88 -19.382 -13.312 4.079 681 2HG2 THR 88 HG22 THR 88 -18.577 -14.637 3.239 682 3HG2 THR 88 HG23 THR 88 -19.866 -13.740 2.438 683 H LYS 89 HN LYS 89 -16.679 -9.979 3.738 684 HA LYS 89 HA LYS 89 -18.114 -9.921 6.290 685 1HB LYS 89 HB2 LYS 89 -15.297 -9.202 5.841 686 2HB LYS 89 HB1 LYS 89 -16.231 -7.964 6.669 687 1HG LYS 89 HG2 LYS 89 -16.241 -10.823 7.574 688 2HG LYS 89 HG1 LYS 89 -15.011 -9.673 8.102 689 1HD LYS 89 HD2 LYS 89 -17.156 -8.203 8.630 690 2HD LYS 89 HD1 LYS 89 -17.908 -9.796 8.747 691 1HE LYS 89 HE2 LYS 89 -15.938 -10.394 10.275 692 2HE LYS 89 HE1 LYS 89 -15.654 -8.657 10.367 693 1HZ LYS 89 HZ1 LYS 89 -17.020 -8.999 12.155 694 2HZ LYS 89 HZ2 LYS 89 -17.909 -10.225 11.404 695 3HZ LYS 89 HZ3 LYS 89 -18.166 -8.610 10.973 696 H VAL 90 HN VAL 90 -19.420 -8.140 6.545 697 HA VAL 90 HA VAL 90 -19.358 -6.167 4.354 698 HB VAL 90 HB VAL 90 -21.846 -7.026 5.824 699 1HG1 VAL 90 HG11 VAL 90 -21.552 -4.764 4.536 700 2HG1 VAL 90 HG12 VAL 90 -23.029 -5.709 4.358 701 3HG1 VAL 90 HG13 VAL 90 -21.780 -5.782 3.115 702 1HG2 VAL 90 HG21 VAL 90 -20.731 -8.032 3.211 703 2HG2 VAL 90 HG22 VAL 90 -22.394 -8.285 3.739 704 3HG2 VAL 90 HG23 VAL 90 -21.060 -8.968 4.669 705 H GLY 91 HN GLY 91 -19.692 -4.005 4.863 706 1HA GLY 91 HA2 GLY 91 -20.069 -2.170 6.218 707 2HA GLY 91 HA1 GLY 91 -20.398 -3.252 7.558 708 H ALA 92 HN ALA 92 -18.881 -0.916 7.782 709 HA ALA 92 HA ALA 92 -16.101 -1.394 7.616 710 1HB ALA 92 HB1 ALA 92 -17.526 0.820 7.939 711 2HB ALA 92 HB2 ALA 92 -15.840 0.707 8.443 712 3HB ALA 92 HB3 ALA 92 -17.129 0.522 9.632 713 H LEU 93 HN LEU 93 -14.595 -1.632 9.335 714 HA LEU 93 HA LEU 93 -15.551 -2.609 11.891 715 1HB LEU 93 HB2 LEU 93 -14.010 -4.645 11.622 716 2HB LEU 93 HB1 LEU 93 -15.588 -4.690 10.858 717 HG LEU 93 HG LEU 93 -13.331 -3.709 9.202 718 1HD1 LEU 93 HD11 LEU 93 -12.244 -5.679 8.940 719 2HD1 LEU 93 HD12 LEU 93 -13.664 -6.646 9.336 720 3HD1 LEU 93 HD13 LEU 93 -12.736 -5.875 10.622 721 1HD2 LEU 93 HD21 LEU 93 -15.274 -5.771 8.340 722 2HD2 LEU 93 HD22 LEU 93 -14.638 -4.374 7.470 723 3HD2 LEU 93 HD23 LEU 93 -15.901 -4.159 8.682 724 H SER 94 HN SER 94 -13.916 -2.654 13.498 725 HA SER 94 HA SER 94 -11.953 -0.648 13.188 726 1HB SER 94 HB2 SER 94 -12.752 -2.537 15.340 727 2HB SER 94 HB1 SER 94 -11.143 -1.825 15.452 728 HG SER 94 HG SER 94 -12.262 -0.265 16.356 729 H LYS 95 HN LYS 95 -9.634 -1.232 14.123 730 HA LYS 95 HA LYS 95 -8.374 -2.774 12.081 731 1HB LYS 95 HB2 LYS 95 -7.308 -0.779 13.027 732 2HB LYS 95 HB1 LYS 95 -7.234 -1.553 14.605 733 1HG LYS 95 HG2 LYS 95 -5.478 -2.875 14.032 734 2HG LYS 95 HG1 LYS 95 -5.955 -2.964 12.335 735 1HD LYS 95 HD2 LYS 95 -5.258 -0.578 12.094 736 2HD LYS 95 HD1 LYS 95 -4.628 -0.650 13.742 737 1HE LYS 95 HE2 LYS 95 -3.421 -2.807 12.739 738 2HE LYS 95 HE1 LYS 95 -3.599 -1.882 11.249 739 1HZ LYS 95 HZ1 LYS 95 -1.644 -1.032 11.947 740 2HZ LYS 95 HZ2 LYS 95 -1.942 -1.345 13.582 741 3HZ LYS 95 HZ3 LYS 95 -2.647 0.000 12.837 742 H GLY 96 HN GLY 96 -9.288 -3.392 15.407 743 1HA GLY 96 HA2 GLY 96 -7.661 -5.733 15.642 744 2HA GLY 96 HA1 GLY 96 -8.918 -5.223 16.756 745 H GLN 97 HN GLN 97 -10.944 -5.099 14.606 746 HA GLN 97 HA GLN 97 -11.723 -7.858 14.733 747 1HB GLN 97 HB2 GLN 97 -13.077 -5.691 13.128 748 2HB GLN 97 HB1 GLN 97 -13.772 -7.193 13.720 749 1HG GLN 97 HG2 GLN 97 -13.684 -6.423 15.984 750 2HG GLN 97 HG1 GLN 97 -12.772 -4.989 15.510 751 1HE2 GLN 97 HE21 GLN 97 -15.052 -4.711 16.971 752 2HE2 GLN 97 HE22 GLN 97 -16.301 -4.020 15.999 753 H LEU 98 HN LEU 98 -10.224 -5.790 12.388 754 HA LEU 98 HA LEU 98 -10.682 -7.544 10.157 755 1HB LEU 98 HB2 LEU 98 -9.894 -4.947 10.337 756 2HB LEU 98 HB1 LEU 98 -8.359 -5.734 10.012 757 HG LEU 98 HG LEU 98 -10.631 -6.508 8.275 758 1HD1 LEU 98 HD11 LEU 98 -10.172 -4.525 6.813 759 2HD1 LEU 98 HD12 LEU 98 -9.344 -3.794 8.187 760 3HD1 LEU 98 HD13 LEU 98 -11.062 -4.180 8.296 761 1HD2 LEU 98 HD21 LEU 98 -8.869 -6.503 6.578 762 2HD2 LEU 98 HD22 LEU 98 -8.428 -7.484 7.976 763 3HD2 LEU 98 HD23 LEU 98 -7.729 -5.879 7.770 764 H LYS 99 HN LYS 99 -7.884 -6.785 12.213 765 HA LYS 99 HA LYS 99 -6.086 -8.629 11.118 766 1HB LYS 99 HB2 LYS 99 -5.896 -6.734 13.019 767 2HB LYS 99 HB1 LYS 99 -5.976 -8.156 14.047 768 1HG LYS 99 HG2 LYS 99 -4.069 -9.110 12.744 769 2HG LYS 99 HG1 LYS 99 -3.935 -7.554 11.924 770 1HD LYS 99 HD2 LYS 99 -2.369 -7.479 13.689 771 2HD LYS 99 HD1 LYS 99 -3.742 -6.513 14.228 772 1HE LYS 99 HE2 LYS 99 -4.575 -8.580 15.411 773 2HE LYS 99 HE1 LYS 99 -3.016 -9.317 15.045 774 1HZ LYS 99 HZ1 LYS 99 -3.476 -8.001 17.280 775 2HZ LYS 99 HZ2 LYS 99 -2.970 -6.699 16.327 776 3HZ LYS 99 HZ3 LYS 99 -1.950 -8.030 16.548 777 H GLU 100 HN GLU 100 -8.397 -8.968 13.775 778 HA GLU 100 HA GLU 100 -7.685 -11.583 14.536 779 1HB GLU 100 HB2 GLU 100 -9.704 -11.638 15.794 780 2HB GLU 100 HB1 GLU 100 -9.126 -9.980 15.853 781 1HG GLU 100 HG2 GLU 100 -11.304 -9.584 15.435 782 2HG GLU 100 HG1 GLU 100 -10.733 -9.735 13.778 783 H PHE 101 HN PHE 101 -9.969 -10.360 12.129 784 HA PHE 101 HA PHE 101 -11.161 -12.817 11.443 785 1HB PHE 101 HB2 PHE 101 -11.985 -10.511 10.836 786 2HB PHE 101 HB1 PHE 101 -10.708 -10.435 9.628 787 HD1 PHE 101 HD1 PHE 101 -12.979 -13.233 10.576 788 HD2 PHE 101 HD2 PHE 101 -11.748 -10.480 7.572 789 HE1 PHE 101 HE1 PHE 101 -14.449 -14.353 8.952 790 HE2 PHE 101 HE2 PHE 101 -13.215 -11.597 5.942 791 HZ PHE 101 HZ PHE 101 -14.568 -13.536 6.632 792 H LEU 102 HN LEU 102 -8.316 -11.113 10.224 793 HA LEU 102 HA LEU 102 -7.737 -12.935 8.121 794 1HB LEU 102 HB2 LEU 102 -6.359 -10.684 9.453 795 2HB LEU 102 HB1 LEU 102 -5.312 -11.868 8.697 796 HG LEU 102 HG LEU 102 -7.556 -10.453 7.266 797 1HD1 LEU 102 HD11 LEU 102 -6.092 -8.714 7.633 798 2HD1 LEU 102 HD12 LEU 102 -5.490 -9.371 6.111 799 3HD1 LEU 102 HD13 LEU 102 -4.676 -9.766 7.624 800 1HD2 LEU 102 HD21 LEU 102 -7.167 -12.416 6.098 801 2HD2 LEU 102 HD22 LEU 102 -5.438 -12.397 6.446 802 3HD2 LEU 102 HD23 LEU 102 -6.116 -11.257 5.284 803 H ASP 103 HN ASP 103 -6.282 -12.505 11.351 804 HA ASP 103 HA ASP 103 -4.547 -14.645 11.351 805 1HB ASP 103 HB2 ASP 103 -5.320 -12.843 13.230 806 2HB ASP 103 HB1 ASP 103 -6.072 -14.303 13.866 807 H ALA 104 HN ALA 104 -8.023 -14.622 11.762 808 HA ALA 104 HA ALA 104 -8.275 -17.341 12.577 809 1HB ALA 104 HB1 ALA 104 -10.152 -15.196 11.735 810 2HB ALA 104 HB2 ALA 104 -10.107 -16.140 13.224 811 3HB ALA 104 HB3 ALA 104 -10.722 -16.865 11.738 812 H ASN 105 HN ASN 105 -7.908 -15.812 9.462 813 HA ASN 105 HA ASN 105 -8.720 -18.330 8.171 814 1HB ASN 105 HB2 ASN 105 -9.518 -15.784 7.582 815 2HB ASN 105 HB1 ASN 105 -8.185 -16.002 6.454 816 1HD2 ASN 105 HD21 ASN 105 -9.746 -15.874 4.775 817 2HD2 ASN 105 HD22 ASN 105 -10.698 -17.255 4.364 818 H LEU 106 HN LEU 106 -6.091 -16.036 8.512 819 HA LEU 106 HA LEU 106 -4.398 -17.328 6.558 820 1HB LEU 106 HB2 LEU 106 -4.292 -14.888 7.200 821 2HB LEU 106 HB1 LEU 106 -3.598 -15.395 8.725 822 HG LEU 106 HG LEU 106 -1.954 -14.609 6.991 823 1HD1 LEU 106 HD11 LEU 106 -1.586 -16.280 8.967 824 2HD1 LEU 106 HD12 LEU 106 -0.320 -16.020 7.767 825 3HD1 LEU 106 HD13 LEU 106 -1.350 -17.448 7.667 826 1HD2 LEU 106 HD21 LEU 106 -1.945 -17.214 5.661 827 2HD2 LEU 106 HD22 LEU 106 -1.742 -15.595 4.992 828 3HD2 LEU 106 HD23 LEU 106 -3.360 -16.226 5.296 829 H VAL 107 HN VAL 107 -3.870 -19.385 7.066 830 HA VAL 107 HA VAL 107 -2.391 -19.812 9.557 831 HB VAL 107 HB VAL 107 -3.535 -21.891 10.045 832 1HG1 VAL 107 HG11 VAL 107 -5.444 -21.002 10.999 833 2HG1 VAL 107 HG12 VAL 107 -5.773 -19.955 9.618 834 3HG1 VAL 107 HG13 VAL 107 -4.463 -19.560 10.732 835 1HG2 VAL 107 HG21 VAL 107 -4.108 -22.610 7.815 836 2HG2 VAL 107 HG22 VAL 107 -5.226 -21.258 7.630 837 3HG2 VAL 107 HG23 VAL 107 -5.572 -22.535 8.796
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