NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26225 | 2kgd | 16202 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 17.521 -6.996 -0.859 2 H2 MET 1 HT2 MET 1 16.869 -8.380 -1.555 3 H3 MET 1 HT3 MET 1 18.523 -8.105 -1.669 4 HA MET 1 HA MET 1 17.999 -9.769 -0.005 5 HB2 MET 1 HB2 MET 1 18.725 -7.136 1.313 6 HB3 MET 1 HB1 MET 1 18.920 -8.716 2.056 7 HG2 MET 1 HG2 MET 1 20.350 -7.667 -0.373 8 HG3 MET 1 HG1 MET 1 21.034 -7.941 1.231 9 HE1 MET 1 HE1 MET 1 22.765 -10.714 -0.934 10 HE2 MET 1 HE2 MET 1 23.018 -9.371 0.182 11 HE3 MET 1 HE3 MET 1 22.361 -9.069 -1.426 12 H ALA 2 HN ALA 2 16.127 -6.777 0.376 13 HA ALA 2 HA ALA 2 14.399 -7.994 2.332 14 HB1 ALA 2 HB1 ALA 2 14.138 -5.423 0.756 15 HB2 ALA 2 HB2 ALA 2 14.826 -5.572 2.374 16 HB3 ALA 2 HB3 ALA 2 13.116 -5.903 2.110 17 H THR 3 HN THR 3 12.252 -8.710 1.911 18 HA THR 3 HA THR 3 11.909 -9.916 -0.593 19 HB THR 3 HB THR 3 9.615 -10.345 0.691 20 HG1 THR 3 HG1 THR 3 9.744 -9.940 2.808 21 HG21 THR 3 HG21 THR 3 11.313 -12.047 0.139 22 HG22 THR 3 HG22 THR 3 10.710 -12.266 1.782 23 HG23 THR 3 HG23 THR 3 12.285 -11.520 1.513 24 H LEU 4 HN LEU 4 11.345 -8.743 -2.294 25 HA LEU 4 HA LEU 4 9.956 -6.301 -2.361 26 HB2 LEU 4 HB2 LEU 4 10.070 -8.449 -4.492 27 HB3 LEU 4 HB1 LEU 4 9.580 -6.790 -4.747 28 HG LEU 4 HG LEU 4 12.348 -7.686 -3.944 29 HD11 LEU 4 HD11 LEU 4 12.976 -7.018 -6.210 30 HD12 LEU 4 HD12 LEU 4 11.285 -6.680 -6.578 31 HD13 LEU 4 HD13 LEU 4 11.797 -8.329 -6.221 32 HD21 LEU 4 HD21 LEU 4 11.295 -4.960 -4.702 33 HD22 LEU 4 HD22 LEU 4 12.984 -5.361 -4.387 34 HD23 LEU 4 HD23 LEU 4 11.795 -5.466 -3.087 35 H LEU 5 HN LEU 5 7.845 -5.830 -2.268 36 HA LEU 5 HA LEU 5 6.008 -7.599 -1.145 37 HB2 LEU 5 HB2 LEU 5 5.369 -5.113 -2.717 38 HB3 LEU 5 HB1 LEU 5 4.293 -5.958 -1.637 39 HG LEU 5 HG LEU 5 6.805 -4.516 -0.834 40 HD11 LEU 5 HD11 LEU 5 5.004 -3.059 -1.599 41 HD12 LEU 5 HD12 LEU 5 5.256 -2.922 0.137 42 HD13 LEU 5 HD13 LEU 5 3.888 -3.852 -0.488 43 HD21 LEU 5 HD21 LEU 5 6.298 -6.434 0.608 44 HD22 LEU 5 HD22 LEU 5 4.653 -5.845 0.812 45 HD23 LEU 5 HD23 LEU 5 6.009 -4.906 1.442 46 H THR 6 HN THR 6 4.860 -9.178 -1.964 47 HA THR 6 HA THR 6 4.471 -9.406 -4.805 48 HB THR 6 HB THR 6 3.459 -11.615 -4.083 49 HG1 THR 6 HG1 THR 6 4.133 -12.135 -1.804 50 HG21 THR 6 HG21 THR 6 6.289 -11.049 -3.155 51 HG22 THR 6 HG22 THR 6 5.814 -11.455 -4.805 52 HG23 THR 6 HG23 THR 6 5.627 -12.645 -3.515 53 H THR 7 HN THR 7 2.025 -10.634 -4.939 54 HA THR 7 HA THR 7 0.222 -8.500 -4.576 55 HB THR 7 HB THR 7 -1.395 -10.503 -5.204 56 HG1 THR 7 HG1 THR 7 -0.360 -12.262 -5.987 57 HG21 THR 7 HG21 THR 7 -0.842 -8.626 -6.677 58 HG22 THR 7 HG22 THR 7 -0.847 -10.146 -7.577 59 HG23 THR 7 HG23 THR 7 0.683 -9.401 -7.109 60 H ASP 8 HN ASP 8 0.646 -11.679 -3.036 61 HA ASP 8 HA ASP 8 -1.479 -11.358 -1.191 62 HB2 ASP 8 HB2 ASP 8 0.946 -13.152 -1.050 63 HB3 ASP 8 HB1 ASP 8 -0.291 -13.123 0.199 64 H ASP 9 HN ASP 9 1.931 -10.492 -1.025 65 HA ASP 9 HA ASP 9 1.770 -9.922 1.758 66 HB2 ASP 9 HB2 ASP 9 3.931 -10.370 0.375 67 HB3 ASP 9 HB1 ASP 9 3.847 -8.650 0.012 68 H LEU 10 HN LEU 10 1.480 -7.927 -1.147 69 HA LEU 10 HA LEU 10 1.237 -5.464 0.216 70 HB2 LEU 10 HB2 LEU 10 1.667 -5.644 -2.217 71 HB3 LEU 10 HB1 LEU 10 0.049 -6.277 -2.446 72 HG LEU 10 HG LEU 10 -0.855 -4.114 -1.594 73 HD11 LEU 10 HD11 LEU 10 0.623 -2.173 -1.515 74 HD12 LEU 10 HD12 LEU 10 2.014 -3.229 -1.764 75 HD13 LEU 10 HD13 LEU 10 1.045 -3.377 -0.297 76 HD21 LEU 10 HD21 LEU 10 -0.393 -2.854 -3.645 77 HD22 LEU 10 HD22 LEU 10 -0.706 -4.556 -3.984 78 HD23 LEU 10 HD23 LEU 10 0.947 -3.941 -4.008 79 H ARG 11 HN ARG 11 -1.040 -7.966 -0.689 80 HA ARG 11 HA ARG 11 -3.415 -6.654 0.009 81 HB2 ARG 11 HB2 ARG 11 -3.209 -8.772 -1.346 82 HB3 ARG 11 HB1 ARG 11 -2.813 -9.630 0.124 83 HG2 ARG 11 HG2 ARG 11 -5.434 -8.192 -0.243 84 HG3 ARG 11 HG1 ARG 11 -5.180 -9.845 -0.788 85 HD2 ARG 11 HD2 ARG 11 -4.877 -8.850 2.044 86 HD3 ARG 11 HD1 ARG 11 -6.271 -9.726 1.414 87 HE ARG 11 HE ARG 11 -4.049 -11.267 0.875 88 HH11 ARG 11 HH11 ARG 11 -5.753 -10.079 3.723 89 HH12 ARG 11 HH12 ARG 11 -5.370 -11.372 4.744 90 HH21 ARG 11 HH21 ARG 11 -3.469 -13.128 2.277 91 HH22 ARG 11 HH22 ARG 11 -3.976 -13.111 3.902 92 H ARG 12 HN ARG 12 -1.132 -8.563 1.883 93 HA ARG 12 HA ARG 12 -2.441 -8.682 4.357 94 HB2 ARG 12 HB2 ARG 12 0.522 -8.379 3.810 95 HB3 ARG 12 HB1 ARG 12 -0.163 -8.828 5.364 96 HG2 ARG 12 HG2 ARG 12 -1.030 -10.867 4.432 97 HG3 ARG 12 HG1 ARG 12 -0.477 -10.396 2.825 98 HD2 ARG 12 HD2 ARG 12 1.861 -10.422 3.669 99 HD3 ARG 12 HD1 ARG 12 1.250 -10.980 5.227 100 HE ARG 12 HE ARG 12 0.215 -12.831 3.790 101 HH11 ARG 12 HH11 ARG 12 3.488 -11.469 3.233 102 HH12 ARG 12 HH12 ARG 12 4.078 -12.899 2.581 103 HH21 ARG 12 HH21 ARG 12 1.060 -14.735 2.872 104 HH22 ARG 12 HH22 ARG 12 2.695 -14.816 2.373 105 H ALA 13 HN ALA 13 -0.335 -6.208 3.026 106 HA ALA 13 HA ALA 13 -0.279 -4.478 5.230 107 HB1 ALA 13 HB1 ALA 13 0.482 -2.786 3.672 108 HB2 ALA 13 HB2 ALA 13 -0.025 -3.791 2.312 109 HB3 ALA 13 HB3 ALA 13 1.283 -4.324 3.366 110 H LEU 14 HN LEU 14 -2.417 -4.549 2.401 111 HA LEU 14 HA LEU 14 -3.936 -2.299 3.199 112 HB2 LEU 14 HB2 LEU 14 -4.379 -4.424 1.145 113 HB3 LEU 14 HB1 LEU 14 -5.715 -3.394 1.592 114 HG LEU 14 HG LEU 14 -4.740 -2.572 -0.417 115 HD11 LEU 14 HD11 LEU 14 -5.575 -0.901 1.079 116 HD12 LEU 14 HD12 LEU 14 -4.181 -0.284 0.196 117 HD13 LEU 14 HD13 LEU 14 -4.008 -0.786 1.878 118 HD21 LEU 14 HD21 LEU 14 -2.112 -2.392 1.056 119 HD22 LEU 14 HD22 LEU 14 -2.419 -1.780 -0.570 120 HD23 LEU 14 HD23 LEU 14 -2.499 -3.513 -0.249 121 H VAL 15 HN VAL 15 -4.006 -5.498 4.304 122 HA VAL 15 HA VAL 15 -6.669 -5.241 5.401 123 HB VAL 15 HB VAL 15 -4.519 -7.350 5.873 124 HG11 VAL 15 HG11 VAL 15 -5.975 -7.149 7.844 125 HG12 VAL 15 HG12 VAL 15 -6.273 -8.660 6.988 126 HG13 VAL 15 HG13 VAL 15 -7.396 -7.311 6.812 127 HG21 VAL 15 HG21 VAL 15 -5.475 -7.384 3.636 128 HG22 VAL 15 HG22 VAL 15 -7.100 -7.434 4.321 129 HG23 VAL 15 HG23 VAL 15 -5.998 -8.792 4.564 130 H GLU 16 HN GLU 16 -3.334 -5.276 6.593 131 HA GLU 16 HA GLU 16 -3.849 -4.869 9.287 132 HB2 GLU 16 HB2 GLU 16 -1.421 -4.035 7.691 133 HB3 GLU 16 HB1 GLU 16 -1.547 -3.943 9.436 134 HG2 GLU 16 HG2 GLU 16 -1.995 -6.366 9.511 135 HG3 GLU 16 HG1 GLU 16 -1.722 -6.430 7.771 136 H SER 17 HN SER 17 -3.791 -2.466 6.729 137 HA SER 17 HA SER 17 -3.650 -0.300 8.475 138 HB2 SER 17 HB2 SER 17 -4.645 0.906 6.372 139 HB3 SER 17 HB1 SER 17 -2.995 0.289 6.382 140 HG SER 17 HG SER 17 -5.304 -0.813 5.201 141 H ALA 18 HN ALA 18 -6.302 -2.318 7.743 142 HA ALA 18 HA ALA 18 -8.068 -0.351 9.050 143 HB1 ALA 18 HB1 ALA 18 -8.791 -0.936 6.777 144 HB2 ALA 18 HB2 ALA 18 -9.960 -1.461 7.987 145 HB3 ALA 18 HB3 ALA 18 -8.871 -2.633 7.243 146 H GLY 19 HN GLY 19 -6.851 -3.602 9.093 147 HA2 GLY 19 HA2 GLY 19 -6.644 -4.818 11.135 148 HA3 GLY 19 HA1 GLY 19 -8.127 -4.033 11.703 149 H GLU 20 HN GLU 20 -10.050 -4.463 10.550 150 HA GLU 20 HA GLU 20 -10.188 -7.173 9.455 151 HB2 GLU 20 HB2 GLU 20 -12.372 -5.263 10.357 152 HB3 GLU 20 HB1 GLU 20 -12.641 -6.875 9.719 153 HG2 GLU 20 HG2 GLU 20 -11.222 -6.201 12.284 154 HG3 GLU 20 HG1 GLU 20 -12.875 -6.786 12.137 155 H THR 21 HN THR 21 -11.043 -7.381 7.343 156 HA THR 21 HA THR 21 -11.666 -4.894 5.956 157 HB THR 21 HB THR 21 -9.706 -6.881 4.801 158 HG1 THR 21 HG1 THR 21 -9.397 -4.804 6.592 159 HG21 THR 21 HG21 THR 21 -9.173 -5.028 3.258 160 HG22 THR 21 HG22 THR 21 -10.364 -4.014 4.070 161 HG23 THR 21 HG23 THR 21 -10.886 -5.444 3.178 162 H ASP 22 HN ASP 22 -13.743 -5.943 6.260 163 HA ASP 22 HA ASP 22 -14.276 -8.227 4.488 164 HB2 ASP 22 HB2 ASP 22 -16.493 -8.398 5.476 165 HB3 ASP 22 HB1 ASP 22 -15.298 -8.337 6.760 166 H GLY 23 HN GLY 23 -16.043 -8.130 3.015 167 HA2 GLY 23 HA2 GLY 23 -17.516 -7.048 1.543 168 HA3 GLY 23 HA1 GLY 23 -17.078 -5.510 2.280 169 H THR 24 HN THR 24 -14.455 -5.495 2.062 170 HA THR 24 HA THR 24 -13.870 -4.789 -0.600 171 HB THR 24 HB THR 24 -12.091 -5.285 1.782 172 HG1 THR 24 HG1 THR 24 -13.851 -3.214 1.135 173 HG21 THR 24 HG21 THR 24 -11.715 -3.659 -0.731 174 HG22 THR 24 HG22 THR 24 -10.795 -5.087 -0.244 175 HG23 THR 24 HG23 THR 24 -10.636 -3.584 0.665 176 H ASP 25 HN ASP 25 -13.994 -6.662 -1.958 177 HA ASP 25 HA ASP 25 -12.523 -9.032 -1.212 178 HB2 ASP 25 HB2 ASP 25 -14.535 -9.182 -2.713 179 HB3 ASP 25 HB1 ASP 25 -13.633 -8.303 -3.947 180 H LEU 26 HN LEU 26 -10.512 -8.844 -1.073 181 HA LEU 26 HA LEU 26 -9.094 -6.910 -2.767 182 HB2 LEU 26 HB2 LEU 26 -9.266 -6.561 -0.296 183 HB3 LEU 26 HB1 LEU 26 -8.337 -8.023 -0.079 184 HG LEU 26 HG LEU 26 -6.426 -6.950 -1.218 185 HD11 LEU 26 HD11 LEU 26 -6.498 -4.537 -1.624 186 HD12 LEU 26 HD12 LEU 26 -8.204 -4.506 -1.177 187 HD13 LEU 26 HD13 LEU 26 -7.684 -5.382 -2.618 188 HD21 LEU 26 HD21 LEU 26 -7.578 -5.403 1.103 189 HD22 LEU 26 HD22 LEU 26 -5.888 -5.427 0.609 190 HD23 LEU 26 HD23 LEU 26 -6.650 -6.899 1.214 191 H SER 27 HN SER 27 -9.309 -10.221 -1.762 192 HA SER 27 HA SER 27 -6.712 -10.808 -2.887 193 HB2 SER 27 HB2 SER 27 -8.714 -12.601 -1.510 194 HB3 SER 27 HB1 SER 27 -7.115 -13.101 -2.056 195 HG SER 27 HG SER 27 -7.752 -11.193 -0.029 196 H GLY 28 HN GLY 28 -7.375 -10.140 -5.025 197 HA2 GLY 28 HA2 GLY 28 -7.827 -12.276 -6.735 198 HA3 GLY 28 HA1 GLY 28 -9.389 -11.513 -6.463 199 H ASP 29 HN ASP 29 -6.057 -10.430 -7.005 200 HA ASP 29 HA ASP 29 -5.086 -8.976 -8.416 201 HB2 ASP 29 HB2 ASP 29 -6.102 -10.363 -10.224 202 HB3 ASP 29 HB1 ASP 29 -7.529 -9.333 -10.186 203 H PHE 30 HN PHE 30 -5.035 -7.271 -7.134 204 HA PHE 30 HA PHE 30 -7.332 -5.423 -7.187 205 HB2 PHE 30 HB2 PHE 30 -6.896 -4.938 -4.848 206 HB3 PHE 30 HB1 PHE 30 -7.149 -6.661 -5.077 207 HD1 PHE 30 HD2 PHE 30 -5.055 -8.160 -5.173 208 HD2 PHE 30 HD1 PHE 30 -4.988 -4.138 -3.779 209 HE1 PHE 30 HE2 PHE 30 -2.929 -8.592 -4.022 210 HE2 PHE 30 HE1 PHE 30 -2.867 -4.569 -2.626 211 HZ PHE 30 HZ PHE 30 -1.836 -6.798 -2.747 212 H LEU 31 HN LEU 31 -4.713 -5.366 -8.780 213 HA LEU 31 HA LEU 31 -3.187 -3.357 -7.410 214 HB2 LEU 31 HB2 LEU 31 -2.776 -4.597 -10.130 215 HB3 LEU 31 HB1 LEU 31 -1.689 -3.449 -9.388 216 HG LEU 31 HG LEU 31 -0.699 -5.541 -9.157 217 HD11 LEU 31 HD11 LEU 31 -0.581 -5.941 -6.748 218 HD12 LEU 31 HD12 LEU 31 -1.976 -4.888 -6.523 219 HD13 LEU 31 HD13 LEU 31 -0.472 -4.234 -7.175 220 HD21 LEU 31 HD21 LEU 31 -1.765 -7.522 -8.150 221 HD22 LEU 31 HD22 LEU 31 -2.589 -6.998 -9.619 222 HD23 LEU 31 HD23 LEU 31 -3.284 -6.630 -8.042 223 H ASP 32 HN ASP 32 -5.517 -3.473 -10.004 224 HA ASP 32 HA ASP 32 -5.025 -0.608 -10.389 225 HB2 ASP 32 HB2 ASP 32 -5.858 -2.677 -12.373 226 HB3 ASP 32 HB1 ASP 32 -6.316 -0.996 -12.623 227 H LEU 33 HN LEU 33 -6.940 -2.239 -8.613 228 HA LEU 33 HA LEU 33 -9.354 -0.922 -9.378 229 HB2 LEU 33 HB2 LEU 33 -10.332 -1.765 -7.230 230 HB3 LEU 33 HB1 LEU 33 -9.761 -2.997 -8.318 231 HG LEU 33 HG LEU 33 -7.753 -3.286 -6.852 232 HD11 LEU 33 HD11 LEU 33 -7.723 -1.106 -5.758 233 HD12 LEU 33 HD12 LEU 33 -7.806 -2.416 -4.579 234 HD13 LEU 33 HD13 LEU 33 -9.253 -1.481 -4.964 235 HD21 LEU 33 HD21 LEU 33 -9.667 -4.762 -6.709 236 HD22 LEU 33 HD22 LEU 33 -10.450 -3.666 -5.575 237 HD23 LEU 33 HD23 LEU 33 -8.962 -4.499 -5.113 238 H ARG 34 HN ARG 34 -10.528 0.466 -7.758 239 HA ARG 34 HA ARG 34 -8.593 2.534 -7.077 240 HB2 ARG 34 HB2 ARG 34 -11.537 2.699 -7.693 241 HB3 ARG 34 HB1 ARG 34 -10.553 4.067 -7.184 242 HG2 ARG 34 HG2 ARG 34 -10.095 2.414 -9.662 243 HG3 ARG 34 HG1 ARG 34 -10.832 4.021 -9.610 244 HD2 ARG 34 HD2 ARG 34 -8.804 4.987 -8.775 245 HD3 ARG 34 HD1 ARG 34 -8.074 3.398 -8.581 246 HE ARG 34 HE ARG 34 -8.294 3.271 -11.100 247 HH11 ARG 34 HH11 ARG 34 -7.932 6.385 -9.455 248 HH12 ARG 34 HH12 ARG 34 -6.966 7.076 -10.679 249 HH21 ARG 34 HH21 ARG 34 -6.938 4.173 -12.724 250 HH22 ARG 34 HH22 ARG 34 -6.361 5.772 -12.604 251 H PHE 35 HN PHE 35 -8.550 3.517 -5.131 252 HA PHE 35 HA PHE 35 -9.221 1.904 -2.924 253 HB2 PHE 35 HB2 PHE 35 -8.277 4.770 -3.024 254 HB3 PHE 35 HB1 PHE 35 -8.429 3.821 -1.550 255 HD1 PHE 35 HD2 PHE 35 -7.158 1.535 -1.577 256 HD2 PHE 35 HD1 PHE 35 -6.253 4.827 -4.108 257 HE1 PHE 35 HE2 PHE 35 -4.890 0.653 -1.903 258 HE2 PHE 35 HE1 PHE 35 -3.984 3.947 -4.444 259 HZ PHE 35 HZ PHE 35 -3.299 1.860 -3.335 260 H GLU 36 HN GLU 36 -10.751 4.570 -4.457 261 HA GLU 36 HA GLU 36 -12.607 5.335 -2.547 262 HB2 GLU 36 HB2 GLU 36 -13.257 5.082 -5.488 263 HB3 GLU 36 HB1 GLU 36 -13.968 6.185 -4.329 264 HG2 GLU 36 HG2 GLU 36 -12.585 7.570 -5.519 265 HG3 GLU 36 HG1 GLU 36 -11.556 7.137 -4.156 266 H ASP 37 HN ASP 37 -12.704 2.664 -4.835 267 HA ASP 37 HA ASP 37 -15.406 1.900 -4.265 268 HB2 ASP 37 HB2 ASP 37 -14.391 1.428 -6.433 269 HB3 ASP 37 HB1 ASP 37 -13.209 0.375 -5.659 270 H ILE 38 HN ILE 38 -12.267 0.947 -3.090 271 HA ILE 38 HA ILE 38 -13.481 -1.224 -1.611 272 HB ILE 38 HB ILE 38 -11.219 -1.799 -0.832 273 HG12 ILE 38 HG12 ILE 38 -10.287 0.438 -2.654 274 HG13 ILE 38 HG11 ILE 38 -10.249 0.478 -0.897 275 HG21 ILE 38 HG21 ILE 38 -11.523 -1.466 -3.815 276 HG22 ILE 38 HG22 ILE 38 -12.112 -2.819 -2.847 277 HG23 ILE 38 HG23 ILE 38 -10.374 -2.557 -3.037 278 HD11 ILE 38 HD11 ILE 38 -8.056 -0.017 -1.820 279 HD12 ILE 38 HD12 ILE 38 -8.716 -1.427 -2.651 280 HD13 ILE 38 HD13 ILE 38 -8.667 -1.387 -0.892 281 H GLY 39 HN GLY 39 -13.694 1.746 -1.159 282 HA2 GLY 39 HA2 GLY 39 -14.121 3.130 0.613 283 HA3 GLY 39 HA1 GLY 39 -14.295 1.662 1.565 284 H TYR 40 HN TYR 40 -11.485 3.047 -0.081 285 HA TYR 40 HA TYR 40 -10.206 3.027 2.524 286 HB2 TYR 40 HB2 TYR 40 -9.395 1.736 0.123 287 HB3 TYR 40 HB1 TYR 40 -8.199 2.962 0.550 288 HD1 TYR 40 HD2 TYR 40 -9.861 -0.120 1.641 289 HD2 TYR 40 HD1 TYR 40 -6.912 2.799 2.561 290 HE1 TYR 40 HE2 TYR 40 -8.980 -1.575 3.421 291 HE2 TYR 40 HE1 TYR 40 -6.031 1.363 4.338 292 HH TYR 40 HH TYR 40 -6.938 -1.889 4.664 293 H ASP 41 HN ASP 41 -9.586 4.749 3.290 294 HA ASP 41 HA ASP 41 -9.541 7.210 1.752 295 HB2 ASP 41 HB2 ASP 41 -8.946 6.662 4.673 296 HB3 ASP 41 HB1 ASP 41 -8.918 8.256 3.935 297 H SER 42 HN SER 42 -7.684 8.413 1.391 298 HA SER 42 HA SER 42 -5.332 6.948 1.085 299 HB2 SER 42 HB2 SER 42 -4.621 9.563 0.749 300 HB3 SER 42 HB1 SER 42 -5.365 8.551 -0.498 301 H LEU 43 HN LEU 43 -6.523 9.049 3.559 302 HA LEU 43 HA LEU 43 -4.255 9.298 5.167 303 HB2 LEU 43 HB2 LEU 43 -7.130 8.909 5.985 304 HB3 LEU 43 HB1 LEU 43 -5.852 9.402 7.068 305 HG LEU 43 HG LEU 43 -6.844 10.989 4.700 306 HD11 LEU 43 HD11 LEU 43 -7.765 12.482 6.387 307 HD12 LEU 43 HD12 LEU 43 -7.240 11.374 7.654 308 HD13 LEU 43 HD13 LEU 43 -8.469 10.870 6.494 309 HD21 LEU 43 HD21 LEU 43 -4.863 11.704 6.863 310 HD22 LEU 43 HD22 LEU 43 -5.470 12.797 5.617 311 HD23 LEU 43 HD23 LEU 43 -4.482 11.406 5.167 312 H ALA 44 HN ALA 44 -6.445 6.585 4.705 313 HA ALA 44 HA ALA 44 -5.300 5.019 6.821 314 HB1 ALA 44 HB1 ALA 44 -7.172 4.216 4.591 315 HB2 ALA 44 HB2 ALA 44 -7.659 4.748 6.202 316 HB3 ALA 44 HB3 ALA 44 -6.766 3.240 6.003 317 H LEU 45 HN LEU 45 -4.721 5.607 3.500 318 HA LEU 45 HA LEU 45 -3.169 3.287 2.958 319 HB2 LEU 45 HB2 LEU 45 -3.165 5.998 1.652 320 HB3 LEU 45 HB1 LEU 45 -2.270 4.615 1.055 321 HG LEU 45 HG LEU 45 -5.267 4.755 1.311 322 HD11 LEU 45 HD11 LEU 45 -3.474 4.892 -1.107 323 HD12 LEU 45 HD12 LEU 45 -4.411 6.225 -0.438 324 HD13 LEU 45 HD13 LEU 45 -5.235 4.829 -1.130 325 HD21 LEU 45 HD21 LEU 45 -4.393 2.507 1.607 326 HD22 LEU 45 HD22 LEU 45 -3.437 2.675 0.134 327 HD23 LEU 45 HD23 LEU 45 -5.200 2.654 0.044 328 H MET 46 HN MET 46 -2.554 6.269 4.531 329 HA MET 46 HA MET 46 0.298 6.095 4.482 330 HB2 MET 46 HB2 MET 46 -1.442 7.503 6.526 331 HB3 MET 46 HB1 MET 46 0.275 7.771 6.267 332 HG2 MET 46 HG2 MET 46 -0.193 8.660 4.036 333 HG3 MET 46 HG1 MET 46 -1.920 8.362 4.302 334 HE1 MET 46 HE1 MET 46 -2.462 10.835 7.425 335 HE2 MET 46 HE2 MET 46 -1.865 9.177 7.528 336 HE3 MET 46 HE3 MET 46 -3.215 9.564 6.461 337 H GLU 47 HN GLU 47 -2.241 4.753 6.390 338 HA GLU 47 HA GLU 47 -0.666 3.694 8.519 339 HB2 GLU 47 HB2 GLU 47 -3.068 4.020 8.745 340 HB3 GLU 47 HB1 GLU 47 -3.371 2.977 7.379 341 HG2 GLU 47 HG2 GLU 47 -3.944 1.834 9.408 342 HG3 GLU 47 HG1 GLU 47 -2.560 1.055 8.658 343 H THR 48 HN THR 48 -1.983 2.419 5.459 344 HA THR 48 HA THR 48 -0.995 -0.147 5.409 345 HB THR 48 HB THR 48 -1.017 1.786 3.070 346 HG1 THR 48 HG1 THR 48 -3.207 0.309 4.183 347 HG21 THR 48 HG21 THR 48 -0.096 -0.446 2.613 348 HG22 THR 48 HG22 THR 48 -1.636 -0.206 1.784 349 HG23 THR 48 HG23 THR 48 -1.568 -1.178 3.255 350 H ALA 49 HN ALA 49 0.511 2.839 4.187 351 HA ALA 49 HA ALA 49 2.991 1.837 3.447 352 HB1 ALA 49 HB1 ALA 49 2.338 4.597 4.465 353 HB2 ALA 49 HB2 ALA 49 2.157 4.046 2.801 354 HB3 ALA 49 HB3 ALA 49 3.762 4.148 3.530 355 H ALA 50 HN ALA 50 2.036 3.374 6.522 356 HA ALA 50 HA ALA 50 4.478 3.298 7.829 357 HB1 ALA 50 HB1 ALA 50 3.221 3.548 9.889 358 HB2 ALA 50 HB2 ALA 50 1.743 3.043 9.065 359 HB3 ALA 50 HB3 ALA 50 2.530 4.553 8.615 360 H ARG 51 HN ARG 51 1.934 0.857 7.763 361 HA ARG 51 HA ARG 51 2.991 -1.026 9.526 362 HB2 ARG 51 HB2 ARG 51 1.403 -1.422 6.989 363 HB3 ARG 51 HB1 ARG 51 1.810 -2.737 8.077 364 HG2 ARG 51 HG2 ARG 51 0.214 -0.306 8.839 365 HG3 ARG 51 HG1 ARG 51 -0.468 -1.878 8.401 366 HD2 ARG 51 HD2 ARG 51 0.781 -2.905 10.243 367 HD3 ARG 51 HD1 ARG 51 1.400 -1.318 10.690 368 HE ARG 51 HE ARG 51 -0.916 -0.679 11.082 369 HH11 ARG 51 HH11 ARG 51 -0.153 -4.193 11.004 370 HH12 ARG 51 HH12 ARG 51 -1.226 -4.566 12.265 371 HH21 ARG 51 HH21 ARG 51 -2.424 -1.317 12.846 372 HH22 ARG 51 HH22 ARG 51 -2.565 -2.987 13.248 373 H LEU 52 HN LEU 52 3.524 -0.648 6.111 374 HA LEU 52 HA LEU 52 5.405 -2.768 5.956 375 HB2 LEU 52 HB2 LEU 52 4.728 -0.587 4.003 376 HB3 LEU 52 HB1 LEU 52 5.784 -1.947 3.648 377 HG LEU 52 HG LEU 52 2.882 -2.201 4.441 378 HD11 LEU 52 HD11 LEU 52 3.087 -1.171 2.264 379 HD12 LEU 52 HD12 LEU 52 2.506 -2.832 2.116 380 HD13 LEU 52 HD13 LEU 52 4.192 -2.446 1.758 381 HD21 LEU 52 HD21 LEU 52 4.865 -4.234 3.437 382 HD22 LEU 52 HD22 LEU 52 3.153 -4.529 3.733 383 HD23 LEU 52 HD23 LEU 52 4.226 -4.126 5.077 384 H GLU 53 HN GLU 53 5.714 0.717 6.397 385 HA GLU 53 HA GLU 53 8.482 0.936 6.012 386 HB2 GLU 53 HB2 GLU 53 6.729 2.428 7.952 387 HB3 GLU 53 HB1 GLU 53 8.400 2.831 7.627 388 HG2 GLU 53 HG2 GLU 53 7.803 3.265 5.286 389 HG3 GLU 53 HG1 GLU 53 6.114 2.936 5.689 390 H SER 54 HN SER 54 6.713 0.490 9.048 391 HA SER 54 HA SER 54 8.975 0.140 10.660 392 HB2 SER 54 HB2 SER 54 6.182 -0.900 11.143 393 HB3 SER 54 HB1 SER 54 7.404 -0.515 12.360 394 HG SER 54 HG SER 54 5.588 1.104 11.302 395 H ARG 55 HN ARG 55 7.318 -2.020 8.600 396 HA ARG 55 HA ARG 55 8.317 -4.436 9.844 397 HB2 ARG 55 HB2 ARG 55 6.066 -4.349 8.872 398 HB3 ARG 55 HB1 ARG 55 6.751 -3.982 7.304 399 HG2 ARG 55 HG2 ARG 55 7.718 -6.189 7.180 400 HG3 ARG 55 HG1 ARG 55 7.146 -6.555 8.812 401 HD2 ARG 55 HD2 ARG 55 4.843 -6.348 8.107 402 HD3 ARG 55 HD1 ARG 55 5.345 -5.811 6.504 403 HE ARG 55 HE ARG 55 6.136 -8.437 7.485 404 HH11 ARG 55 HH11 ARG 55 3.919 -6.612 5.405 405 HH12 ARG 55 HH12 ARG 55 3.951 -7.752 4.121 406 HH21 ARG 55 HH21 ARG 55 6.010 -10.091 5.774 407 HH22 ARG 55 HH22 ARG 55 5.059 -9.781 4.375 408 H TYR 56 HN TYR 56 8.783 -2.791 6.692 409 HA TYR 56 HA TYR 56 10.939 -4.628 6.107 410 HB2 TYR 56 HB2 TYR 56 9.499 -2.616 4.412 411 HB3 TYR 56 HB1 TYR 56 10.945 -3.447 3.848 412 HD1 TYR 56 HD1 TYR 56 7.410 -3.860 4.782 413 HD2 TYR 56 HD2 TYR 56 10.901 -5.784 3.313 414 HE1 TYR 56 HE1 TYR 56 6.063 -5.812 4.136 415 HE2 TYR 56 HE2 TYR 56 9.564 -7.729 2.660 416 HH TYR 56 HH TYR 56 6.084 -7.731 2.736 417 H GLY 57 HN GLY 57 10.667 -1.404 7.253 418 HA2 GLY 57 HA2 GLY 57 12.442 -0.178 8.097 419 HA3 GLY 57 HA1 GLY 57 13.564 -1.231 7.241 420 H VAL 58 HN VAL 58 10.819 0.315 5.789 421 HA VAL 58 HA VAL 58 12.659 1.843 4.111 422 HB VAL 58 HB VAL 58 10.765 2.105 2.488 423 HG11 VAL 58 HG11 VAL 58 12.465 0.431 2.144 424 HG12 VAL 58 HG12 VAL 58 10.889 -0.161 1.607 425 HG13 VAL 58 HG13 VAL 58 11.562 -0.710 3.147 426 HG21 VAL 58 HG21 VAL 58 8.834 0.597 2.669 427 HG22 VAL 58 HG22 VAL 58 8.894 1.734 4.015 428 HG23 VAL 58 HG23 VAL 58 9.407 0.061 4.248 429 H SER 59 HN SER 59 11.465 3.883 3.159 430 HA SER 59 HA SER 59 10.300 5.311 5.441 431 HB2 SER 59 HB2 SER 59 12.318 6.403 3.470 432 HB3 SER 59 HB1 SER 59 11.709 7.192 4.927 433 HG SER 59 HG SER 59 12.718 5.572 6.164 434 H ILE 60 HN ILE 60 8.271 5.714 4.778 435 HA ILE 60 HA ILE 60 7.870 6.611 2.002 436 HB ILE 60 HB ILE 60 5.894 5.071 3.712 437 HG12 ILE 60 HG12 ILE 60 7.438 4.121 1.286 438 HG13 ILE 60 HG11 ILE 60 7.854 3.715 2.948 439 HG21 ILE 60 HG21 ILE 60 4.576 4.935 1.641 440 HG22 ILE 60 HG22 ILE 60 5.778 5.926 0.812 441 HG23 ILE 60 HG23 ILE 60 4.832 6.610 2.133 442 HD11 ILE 60 HD11 ILE 60 5.304 2.998 1.531 443 HD12 ILE 60 HD12 ILE 60 5.703 2.592 3.201 444 HD13 ILE 60 HD13 ILE 60 6.650 1.912 1.875 445 HA PRO 61 HA PRO 61 6.496 10.236 4.331 446 HB2 PRO 61 HB2 PRO 61 6.087 11.247 1.573 447 HB3 PRO 61 HB1 PRO 61 7.019 11.957 2.898 448 HG2 PRO 61 HG2 PRO 61 8.244 10.843 0.806 449 HG3 PRO 61 HG1 PRO 61 8.891 10.667 2.450 450 HD2 PRO 61 HD2 PRO 61 7.307 8.715 0.821 451 HD3 PRO 61 HD1 PRO 61 8.730 8.429 1.848 452 H ASP 62 HN ASP 62 4.516 10.832 4.848 453 HA ASP 62 HA ASP 62 2.312 9.233 4.135 454 HB2 ASP 62 HB2 ASP 62 0.991 10.609 5.639 455 HB3 ASP 62 HB1 ASP 62 2.556 10.289 6.357 456 H ASP 63 HN ASP 63 3.404 12.310 2.981 457 HA ASP 63 HA ASP 63 1.134 13.225 1.586 458 HB2 ASP 63 HB2 ASP 63 3.095 14.625 1.968 459 HB3 ASP 63 HB1 ASP 63 4.076 13.558 0.971 460 H VAL 64 HN VAL 64 3.507 10.865 0.845 461 HA VAL 64 HA VAL 64 2.968 10.582 -1.973 462 HB VAL 64 HB VAL 64 4.376 8.797 -0.030 463 HG11 VAL 64 HG11 VAL 64 3.763 7.618 -2.105 464 HG12 VAL 64 HG12 VAL 64 5.510 7.862 -2.067 465 HG13 VAL 64 HG13 VAL 64 4.497 8.899 -3.073 466 HG21 VAL 64 HG21 VAL 64 6.469 9.792 -0.910 467 HG22 VAL 64 HG22 VAL 64 5.432 10.969 -0.104 468 HG23 VAL 64 HG23 VAL 64 5.501 10.915 -1.865 469 H ALA 65 HN ALA 65 2.359 8.718 0.967 470 HA ALA 65 HA ALA 65 1.084 6.525 -0.199 471 HB1 ALA 65 HB1 ALA 65 1.945 6.511 2.079 472 HB2 ALA 65 HB2 ALA 65 0.242 6.033 2.045 473 HB3 ALA 65 HB3 ALA 65 0.697 7.655 2.560 474 H GLY 66 HN GLY 66 -0.201 9.643 0.773 475 HA2 GLY 66 HA2 GLY 66 -2.925 8.813 0.261 476 HA3 GLY 66 HA1 GLY 66 -2.384 10.422 0.715 477 H ARG 67 HN ARG 67 -0.456 9.518 -1.756 478 HA ARG 67 HA ARG 67 -2.004 11.120 -3.651 479 HB2 ARG 67 HB2 ARG 67 0.203 11.936 -3.123 480 HB3 ARG 67 HB1 ARG 67 0.910 10.374 -3.482 481 HG2 ARG 67 HG2 ARG 67 0.367 10.686 -5.853 482 HG3 ARG 67 HG1 ARG 67 -0.319 12.272 -5.473 483 HD2 ARG 67 HD2 ARG 67 1.782 13.075 -4.693 484 HD3 ARG 67 HD1 ARG 67 2.494 11.471 -4.786 485 HE ARG 67 HE ARG 67 1.595 12.308 -7.340 486 HH11 ARG 67 HH11 ARG 67 4.146 12.952 -4.977 487 HH12 ARG 67 HH12 ARG 67 5.336 13.345 -6.125 488 HH21 ARG 67 HH21 ARG 67 3.159 12.818 -8.921 489 HH22 ARG 67 HH22 ARG 67 4.747 13.296 -8.473 490 H VAL 68 HN VAL 68 -1.085 7.883 -3.081 491 HA VAL 68 HA VAL 68 -0.853 7.074 -5.801 492 HB VAL 68 HB VAL 68 -0.927 4.733 -4.983 493 HG11 VAL 68 HG11 VAL 68 0.876 6.548 -3.396 494 HG12 VAL 68 HG12 VAL 68 1.181 5.901 -5.012 495 HG13 VAL 68 HG13 VAL 68 1.113 4.815 -3.627 496 HG21 VAL 68 HG21 VAL 68 -1.005 4.267 -2.572 497 HG22 VAL 68 HG22 VAL 68 -2.515 4.989 -3.135 498 HG23 VAL 68 HG23 VAL 68 -1.342 5.969 -2.258 499 H ASP 69 HN ASP 69 -2.287 6.654 -7.240 500 HA ASP 69 HA ASP 69 -5.110 6.929 -6.687 501 HB2 ASP 69 HB2 ASP 69 -3.719 6.197 -9.278 502 HB3 ASP 69 HB1 ASP 69 -5.436 6.530 -9.111 503 H THR 70 HN THR 70 -2.989 4.316 -7.719 504 HA THR 70 HA THR 70 -5.101 2.382 -7.080 505 HB THR 70 HB THR 70 -4.011 0.934 -8.848 506 HG1 THR 70 HG1 THR 70 -2.754 2.034 -10.417 507 HG21 THR 70 HG21 THR 70 -6.127 2.091 -9.303 508 HG22 THR 70 HG22 THR 70 -5.120 2.038 -10.748 509 HG23 THR 70 HG23 THR 70 -5.238 3.526 -9.809 510 HA PRO 71 HA PRO 71 -2.110 0.400 -4.403 511 HB2 PRO 71 HB2 PRO 71 -3.019 -2.167 -5.619 512 HB3 PRO 71 HB1 PRO 71 -2.955 -1.691 -3.915 513 HG2 PRO 71 HG2 PRO 71 -5.282 -1.775 -5.157 514 HG3 PRO 71 HG1 PRO 71 -4.910 -0.426 -4.064 515 HD2 PRO 71 HD2 PRO 71 -4.821 -0.516 -7.060 516 HD3 PRO 71 HD1 PRO 71 -5.488 0.742 -5.992 517 H ARG 72 HN ARG 72 -2.208 -0.298 -7.808 518 HA ARG 72 HA ARG 72 0.156 -1.701 -8.281 519 HB2 ARG 72 HB2 ARG 72 -1.490 -1.084 -10.025 520 HB3 ARG 72 HB1 ARG 72 -1.000 0.596 -9.882 521 HG2 ARG 72 HG2 ARG 72 0.097 -0.167 -11.793 522 HG3 ARG 72 HG1 ARG 72 1.336 -0.217 -10.539 523 HD2 ARG 72 HD2 ARG 72 1.476 -2.237 -11.826 524 HD3 ARG 72 HD1 ARG 72 0.818 -2.641 -10.237 525 HE ARG 72 HE ARG 72 -1.402 -2.219 -11.728 526 HH11 ARG 72 HH11 ARG 72 1.421 -4.339 -12.316 527 HH12 ARG 72 HH12 ARG 72 0.494 -5.449 -13.199 528 HH21 ARG 72 HH21 ARG 72 -2.538 -3.670 -12.950 529 HH22 ARG 72 HH22 ARG 72 -1.793 -5.068 -13.634 530 H GLU 73 HN GLU 73 -0.401 1.763 -7.893 531 HA GLU 73 HA GLU 73 2.255 2.626 -8.370 532 HB2 GLU 73 HB2 GLU 73 0.128 3.969 -8.576 533 HB3 GLU 73 HB1 GLU 73 0.072 4.029 -6.825 534 HG2 GLU 73 HG2 GLU 73 0.977 6.081 -7.685 535 HG3 GLU 73 HG1 GLU 73 2.231 5.191 -6.821 536 H LEU 74 HN LEU 74 0.354 1.901 -5.536 537 HA LEU 74 HA LEU 74 2.147 2.689 -3.508 538 HB2 LEU 74 HB2 LEU 74 -0.384 2.080 -3.432 539 HB3 LEU 74 HB1 LEU 74 0.142 0.423 -3.346 540 HG LEU 74 HG LEU 74 0.707 2.545 -1.250 541 HD11 LEU 74 HD11 LEU 74 -1.291 0.303 -1.274 542 HD12 LEU 74 HD12 LEU 74 -1.642 2.027 -1.391 543 HD13 LEU 74 HD13 LEU 74 -0.943 1.367 0.088 544 HD21 LEU 74 HD21 LEU 74 1.385 0.677 0.168 545 HD22 LEU 74 HD22 LEU 74 2.402 0.748 -1.272 546 HD23 LEU 74 HD23 LEU 74 1.114 -0.450 -1.160 547 H LEU 75 HN LEU 75 1.558 -0.408 -5.126 548 HA LEU 75 HA LEU 75 3.409 -2.055 -3.849 549 HB2 LEU 75 HB2 LEU 75 1.632 -2.832 -5.355 550 HB3 LEU 75 HB1 LEU 75 2.451 -2.098 -6.713 551 HG LEU 75 HG LEU 75 4.355 -3.674 -6.337 552 HD11 LEU 75 HD11 LEU 75 3.971 -5.640 -4.951 553 HD12 LEU 75 HD12 LEU 75 2.442 -4.953 -4.402 554 HD13 LEU 75 HD13 LEU 75 3.963 -4.158 -3.997 555 HD21 LEU 75 HD21 LEU 75 3.207 -5.617 -7.292 556 HD22 LEU 75 HD22 LEU 75 2.665 -4.110 -8.034 557 HD23 LEU 75 HD23 LEU 75 1.653 -4.918 -6.837 558 H ASP 76 HN ASP 76 3.735 -0.291 -6.921 559 HA ASP 76 HA ASP 76 6.388 -1.006 -7.471 560 HB2 ASP 76 HB2 ASP 76 4.884 -0.081 -9.171 561 HB3 ASP 76 HB1 ASP 76 4.924 1.482 -8.363 562 H LEU 77 HN LEU 77 5.078 1.664 -5.657 563 HA LEU 77 HA LEU 77 7.326 3.267 -5.309 564 HB2 LEU 77 HB2 LEU 77 5.109 3.935 -4.594 565 HB3 LEU 77 HB1 LEU 77 5.062 2.646 -3.412 566 HG LEU 77 HG LEU 77 6.951 3.769 -2.221 567 HD11 LEU 77 HD11 LEU 77 7.396 6.117 -2.698 568 HD12 LEU 77 HD12 LEU 77 6.361 6.024 -4.122 569 HD13 LEU 77 HD13 LEU 77 7.850 5.077 -4.049 570 HD21 LEU 77 HD21 LEU 77 4.651 3.980 -1.472 571 HD22 LEU 77 HD22 LEU 77 4.404 5.345 -2.559 572 HD23 LEU 77 HD23 LEU 77 5.532 5.484 -1.210 573 H ILE 78 HN ILE 78 6.121 0.632 -3.313 574 HA ILE 78 HA ILE 78 8.388 0.817 -1.605 575 HB ILE 78 HB ILE 78 6.237 -1.317 -1.608 576 HG12 ILE 78 HG12 ILE 78 6.432 1.275 -0.063 577 HG13 ILE 78 HG11 ILE 78 5.390 1.008 -1.454 578 HG21 ILE 78 HG21 ILE 78 8.175 -0.381 0.537 579 HG22 ILE 78 HG22 ILE 78 8.278 -1.914 -0.322 580 HG23 ILE 78 HG23 ILE 78 6.918 -1.597 0.759 581 HD11 ILE 78 HD11 ILE 78 5.234 -0.434 1.170 582 HD12 ILE 78 HD12 ILE 78 4.175 -0.682 -0.216 583 HD13 ILE 78 HD13 ILE 78 4.173 0.865 0.630 584 H ASN 79 HN ASN 79 7.494 -1.196 -4.335 585 HA ASN 79 HA ASN 79 9.580 -3.100 -3.922 586 HB2 ASN 79 HB2 ASN 79 8.074 -2.342 -6.428 587 HB3 ASN 79 HB1 ASN 79 9.471 -3.399 -6.518 588 HD21 ASN 79 HD21 ASN 79 6.984 -3.358 -3.985 589 HD22 ASN 79 HD22 ASN 79 6.408 -4.954 -4.377 590 H GLY 80 HN GLY 80 9.440 -0.036 -5.610 591 HA2 GLY 80 HA2 GLY 80 12.096 -0.066 -6.552 592 HA3 GLY 80 HA1 GLY 80 11.105 1.367 -6.281 593 H ALA 81 HN ALA 81 10.600 1.324 -3.662 594 HA ALA 81 HA ALA 81 12.833 2.384 -2.456 595 HB1 ALA 81 HB1 ALA 81 10.539 2.741 -1.658 596 HB2 ALA 81 HB2 ALA 81 11.614 2.240 -0.355 597 HB3 ALA 81 HB3 ALA 81 10.492 1.080 -1.069 598 H LEU 82 HN LEU 82 11.565 -0.918 -2.131 599 HA LEU 82 HA LEU 82 13.482 -1.856 -0.301 600 HB2 LEU 82 HB2 LEU 82 11.851 -3.353 -2.341 601 HB3 LEU 82 HB1 LEU 82 12.821 -4.126 -1.106 602 HG LEU 82 HG LEU 82 10.484 -2.297 -0.549 603 HD11 LEU 82 HD11 LEU 82 9.300 -4.335 0.080 604 HD12 LEU 82 HD12 LEU 82 10.677 -5.303 -0.443 605 HD13 LEU 82 HD13 LEU 82 9.764 -4.362 -1.619 606 HD21 LEU 82 HD21 LEU 82 12.113 -4.083 1.244 607 HD22 LEU 82 HD22 LEU 82 10.679 -3.164 1.720 608 HD23 LEU 82 HD23 LEU 82 12.146 -2.318 1.217 609 H ALA 83 HN ALA 83 13.536 -1.656 -3.808 610 HA ALA 83 HA ALA 83 15.773 -3.355 -4.154 611 HB1 ALA 83 HB1 ALA 83 14.731 -1.217 -6.007 612 HB2 ALA 83 HB2 ALA 83 14.179 -2.893 -5.957 613 HB3 ALA 83 HB3 ALA 83 15.836 -2.524 -6.438 614 H GLU 84 HN GLU 84 15.448 0.019 -3.372 615 HA GLU 84 HA GLU 84 18.366 0.207 -3.487 616 HB2 GLU 84 HB2 GLU 84 16.324 2.433 -3.343 617 HB3 GLU 84 HB1 GLU 84 18.045 2.686 -3.157 618 HG2 GLU 84 HG2 GLU 84 17.747 3.244 -5.347 619 HG3 GLU 84 HG1 GLU 84 18.181 1.546 -5.496 620 H ALA 85 HN ALA 85 16.480 -0.971 -1.389 621 HA ALA 85 HA ALA 85 17.496 0.580 0.899 622 HB1 ALA 85 HB1 ALA 85 15.045 0.411 0.824 623 HB2 ALA 85 HB2 ALA 85 15.721 -0.369 2.256 624 HB3 ALA 85 HB3 ALA 85 15.176 -1.346 0.894 625 H ALA 86 HN ALA 86 16.838 -2.811 -0.049 626 HA ALA 86 HA ALA 86 19.280 -3.607 1.242 627 HB1 ALA 86 HB1 ALA 86 16.619 -4.718 2.149 628 HB2 ALA 86 HB2 ALA 86 17.671 -3.669 3.100 629 HB3 ALA 86 HB3 ALA 86 18.206 -5.290 2.660 630 H28 SXV 87 H28A SXV 87 -5.609 13.527 1.924 631 H28A SXV 87 H28B SXV 87 -5.212 12.539 3.335 632 H30 SXV 87 H30C SXV 87 -2.903 11.063 2.309 633 H30A SXV 87 H30A SXV 87 -2.972 11.920 3.850 634 H30B SXV 87 H30B SXV 87 -1.649 12.231 2.728 635 H31 SXV 87 H31C SXV 87 -3.310 12.280 0.171 636 H31A SXV 87 H31A SXV 87 -2.097 13.497 0.577 637 H31B SXV 87 H31B SXV 87 -3.747 13.989 0.201 638 H32 SXV 87 H32A SXV 87 -3.333 14.336 3.952 639 HO33 SXV 87 H33A SXV 87 -4.664 15.783 3.320 640 HN36 SXV 87 H36A SXV 87 -2.877 16.607 1.997 641 H37 SXV 87 H37B SXV 87 -0.034 16.441 1.331 642 H37A SXV 87 H37A SXV 87 -0.493 17.672 2.509 643 H38 SXV 87 H38B SXV 87 -1.561 17.427 -0.305 644 H38A SXV 87 H38A SXV 87 -0.347 18.589 0.240 645 HN41 SXV 87 H41A SXV 87 -2.750 19.164 -1.016 646 H42 SXV 87 H42B SXV 87 -3.699 21.412 -0.246 647 H42A SXV 87 H42A SXV 87 -4.524 20.415 0.943 648 H43 SXV 87 H43B SXV 87 -4.616 19.983 -2.028 649 H43A SXV 87 H43A SXV 87 -5.620 19.180 -0.840 650 H1 SXV 87 H1B SXV 87 -6.717 20.350 -3.422 651 H1A SXV 87 H1A SXV 87 -7.818 19.721 -2.184 652 H2 SXV 87 H2A SXV 87 -8.083 22.373 -3.478 653 H2A SXV 87 H2B SXV 87 -9.161 21.694 -2.250 654 H4 SXV 87 H4C SXV 87 -11.166 19.754 -4.029 655 H4A SXV 87 H4A SXV 87 -10.004 19.355 -2.757 656 H4B SXV 87 H4B SXV 87 -9.778 18.720 -4.393 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 20.262 -10.564 -3.714 2 H2 MET 1 HT2 MET 1 20.593 -9.266 -4.742 3 H3 MET 1 HT3 MET 1 20.539 -10.829 -5.383 4 HA MET 1 HA MET 1 18.600 -9.556 -5.924 5 HB2 MET 1 HB2 MET 1 18.125 -11.762 -3.911 6 HB3 MET 1 HB1 MET 1 16.810 -10.977 -4.766 7 HG2 MET 1 HG2 MET 1 17.867 -11.691 -6.898 8 HG3 MET 1 HG1 MET 1 19.038 -12.610 -5.946 9 HE1 MET 1 HE1 MET 1 16.632 -15.322 -7.510 10 HE2 MET 1 HE2 MET 1 18.293 -14.745 -7.407 11 HE3 MET 1 HE3 MET 1 17.074 -13.780 -8.245 12 H ALA 2 HN ALA 2 16.389 -8.971 -4.882 13 HA ALA 2 HA ALA 2 16.843 -7.528 -2.392 14 HB1 ALA 2 HB1 ALA 2 15.403 -6.506 -4.853 15 HB2 ALA 2 HB2 ALA 2 16.951 -5.915 -4.245 16 HB3 ALA 2 HB3 ALA 2 15.485 -5.681 -3.297 17 H THR 3 HN THR 3 15.339 -8.036 -0.954 18 HA THR 3 HA THR 3 13.283 -9.894 -1.553 19 HB THR 3 HB THR 3 12.673 -9.225 0.904 20 HG1 THR 3 HG1 THR 3 13.834 -7.688 1.713 21 HG21 THR 3 HG21 THR 3 13.817 -11.317 0.290 22 HG22 THR 3 HG22 THR 3 14.490 -10.642 1.769 23 HG23 THR 3 HG23 THR 3 15.357 -10.457 0.241 24 H LEU 4 HN LEU 4 11.560 -9.235 -2.711 25 HA LEU 4 HA LEU 4 10.467 -6.564 -2.212 26 HB2 LEU 4 HB2 LEU 4 10.175 -8.333 -4.638 27 HB3 LEU 4 HB1 LEU 4 9.466 -6.746 -4.444 28 HG LEU 4 HG LEU 4 12.419 -7.353 -4.630 29 HD11 LEU 4 HD11 LEU 4 12.279 -6.208 -6.784 30 HD12 LEU 4 HD12 LEU 4 10.533 -6.053 -6.590 31 HD13 LEU 4 HD13 LEU 4 11.269 -7.651 -6.743 32 HD21 LEU 4 HD21 LEU 4 12.707 -4.926 -4.738 33 HD22 LEU 4 HD22 LEU 4 11.983 -5.415 -3.206 34 HD23 LEU 4 HD23 LEU 4 10.980 -4.703 -4.468 35 H LEU 5 HN LEU 5 8.215 -6.349 -2.090 36 HA LEU 5 HA LEU 5 6.915 -8.784 -1.274 37 HB2 LEU 5 HB2 LEU 5 5.116 -7.288 -0.343 38 HB3 LEU 5 HB1 LEU 5 6.676 -7.137 0.417 39 HG LEU 5 HG LEU 5 6.988 -5.007 -0.960 40 HD11 LEU 5 HD11 LEU 5 4.977 -3.873 -1.728 41 HD12 LEU 5 HD12 LEU 5 4.025 -5.317 -1.376 42 HD13 LEU 5 HD13 LEU 5 5.263 -5.360 -2.630 43 HD21 LEU 5 HD21 LEU 5 4.778 -5.118 1.077 44 HD22 LEU 5 HD22 LEU 5 5.663 -3.671 0.589 45 HD23 LEU 5 HD23 LEU 5 6.502 -4.986 1.410 46 H THR 6 HN THR 6 5.105 -9.527 -2.148 47 HA THR 6 HA THR 6 4.681 -8.654 -4.881 48 HB THR 6 HB THR 6 3.551 -10.873 -5.155 49 HG1 THR 6 HG1 THR 6 4.464 -11.265 -2.447 50 HG21 THR 6 HG21 THR 6 5.906 -10.582 -5.741 51 HG22 THR 6 HG22 THR 6 5.627 -12.196 -5.085 52 HG23 THR 6 HG23 THR 6 6.373 -10.950 -4.082 53 H THR 7 HN THR 7 2.120 -9.643 -5.369 54 HA THR 7 HA THR 7 0.642 -7.541 -4.203 55 HB THR 7 HB THR 7 -1.244 -8.550 -5.609 56 HG1 THR 7 HG1 THR 7 -0.484 -10.018 -7.219 57 HG21 THR 7 HG21 THR 7 -0.258 -7.739 -7.707 58 HG22 THR 7 HG22 THR 7 1.343 -7.781 -6.965 59 HG23 THR 7 HG23 THR 7 0.121 -6.663 -6.361 60 H ASP 8 HN ASP 8 0.993 -10.930 -3.639 61 HA ASP 8 HA ASP 8 -1.287 -11.213 -1.943 62 HB2 ASP 8 HB2 ASP 8 1.278 -12.840 -2.009 63 HB3 ASP 8 HB1 ASP 8 -0.105 -13.229 -1.002 64 H ASP 9 HN ASP 9 2.060 -10.390 -1.440 65 HA ASP 9 HA ASP 9 1.966 -10.206 1.396 66 HB2 ASP 9 HB2 ASP 9 3.766 -8.665 -0.489 67 HB3 ASP 9 HB1 ASP 9 3.992 -8.824 1.244 68 H LEU 10 HN LEU 10 1.587 -7.853 -1.177 69 HA LEU 10 HA LEU 10 1.220 -5.592 0.390 70 HB2 LEU 10 HB2 LEU 10 1.634 -5.606 -2.060 71 HB3 LEU 10 HB1 LEU 10 -0.007 -6.154 -2.307 72 HG LEU 10 HG LEU 10 -0.864 -4.048 -1.381 73 HD11 LEU 10 HD11 LEU 10 0.956 -3.557 0.159 74 HD12 LEU 10 HD12 LEU 10 0.673 -2.195 -0.930 75 HD13 LEU 10 HD13 LEU 10 2.043 -3.273 -1.200 76 HD21 LEU 10 HD21 LEU 10 -0.468 -4.230 -3.786 77 HD22 LEU 10 HD22 LEU 10 1.188 -3.673 -3.562 78 HD23 LEU 10 HD23 LEU 10 -0.161 -2.589 -3.219 79 H ARG 11 HN ARG 11 -1.188 -7.947 -0.755 80 HA ARG 11 HA ARG 11 -3.425 -6.629 0.334 81 HB2 ARG 11 HB2 ARG 11 -2.931 -9.513 -0.311 82 HB3 ARG 11 HB1 ARG 11 -4.412 -9.003 0.486 83 HG2 ARG 11 HG2 ARG 11 -4.864 -7.494 -1.381 84 HG3 ARG 11 HG1 ARG 11 -3.406 -8.078 -2.182 85 HD2 ARG 11 HD2 ARG 11 -5.648 -9.881 -1.318 86 HD3 ARG 11 HD1 ARG 11 -5.578 -9.128 -2.910 87 HE ARG 11 HE ARG 11 -3.716 -11.096 -1.814 88 HH11 ARG 11 HH11 ARG 11 -5.221 -9.413 -4.523 89 HH12 ARG 11 HH12 ARG 11 -4.430 -10.288 -5.746 90 HH21 ARG 11 HH21 ARG 11 -2.589 -12.386 -3.543 91 HH22 ARG 11 HH22 ARG 11 -2.891 -11.979 -5.162 92 H ARG 12 HN ARG 12 -1.345 -9.101 1.696 93 HA ARG 12 HA ARG 12 -2.737 -9.378 4.136 94 HB2 ARG 12 HB2 ARG 12 0.188 -9.878 3.573 95 HB3 ARG 12 HB1 ARG 12 -0.693 -10.455 4.978 96 HG2 ARG 12 HG2 ARG 12 -2.136 -11.795 3.506 97 HG3 ARG 12 HG1 ARG 12 -1.202 -11.236 2.115 98 HD2 ARG 12 HD2 ARG 12 -0.153 -12.831 4.451 99 HD3 ARG 12 HD1 ARG 12 -0.463 -13.443 2.825 100 HE ARG 12 HE ARG 12 1.292 -11.912 2.066 101 HH11 ARG 12 HH11 ARG 12 1.252 -12.999 5.431 102 HH12 ARG 12 HH12 ARG 12 2.894 -12.735 5.723 103 HH21 ARG 12 HH21 ARG 12 3.653 -11.556 2.434 104 HH22 ARG 12 HH22 ARG 12 4.287 -11.795 3.961 105 H ALA 13 HN ALA 13 -0.273 -7.176 3.093 106 HA ALA 13 HA ALA 13 0.263 -6.050 5.663 107 HB1 ALA 13 HB1 ALA 13 1.905 -5.985 3.891 108 HB2 ALA 13 HB2 ALA 13 1.446 -4.349 4.401 109 HB3 ALA 13 HB3 ALA 13 0.809 -5.013 2.903 110 H LEU 14 HN LEU 14 -1.818 -5.233 2.947 111 HA LEU 14 HA LEU 14 -2.574 -2.674 3.871 112 HB2 LEU 14 HB2 LEU 14 -2.811 -3.577 1.525 113 HB3 LEU 14 HB1 LEU 14 -4.158 -4.535 2.090 114 HG LEU 14 HG LEU 14 -5.388 -2.459 2.626 115 HD11 LEU 14 HD11 LEU 14 -4.533 -0.319 1.816 116 HD12 LEU 14 HD12 LEU 14 -3.022 -1.100 1.348 117 HD13 LEU 14 HD13 LEU 14 -3.475 -1.007 3.050 118 HD21 LEU 14 HD21 LEU 14 -4.343 -2.610 -0.201 119 HD22 LEU 14 HD22 LEU 14 -5.817 -1.788 0.316 120 HD23 LEU 14 HD23 LEU 14 -5.688 -3.541 0.459 121 H VAL 15 HN VAL 15 -3.777 -5.904 4.450 122 HA VAL 15 HA VAL 15 -6.173 -5.282 5.770 123 HB VAL 15 HB VAL 15 -4.360 -7.683 6.243 124 HG11 VAL 15 HG11 VAL 15 -5.926 -7.410 8.089 125 HG12 VAL 15 HG12 VAL 15 -6.354 -8.817 7.115 126 HG13 VAL 15 HG13 VAL 15 -7.269 -7.315 6.951 127 HG21 VAL 15 HG21 VAL 15 -6.766 -7.369 4.455 128 HG22 VAL 15 HG22 VAL 15 -5.884 -8.869 4.730 129 HG23 VAL 15 HG23 VAL 15 -5.091 -7.515 3.925 130 H GLU 16 HN GLU 16 -2.884 -4.995 6.822 131 HA GLU 16 HA GLU 16 -3.283 -5.169 9.606 132 HB2 GLU 16 HB2 GLU 16 -1.086 -3.743 8.083 133 HB3 GLU 16 HB1 GLU 16 -1.096 -4.042 9.808 134 HG2 GLU 16 HG2 GLU 16 -1.109 -6.456 9.396 135 HG3 GLU 16 HG1 GLU 16 -1.067 -6.147 7.662 136 H SER 17 HN SER 17 -3.993 -2.618 7.393 137 HA SER 17 HA SER 17 -4.255 -0.752 9.629 138 HB2 SER 17 HB2 SER 17 -4.423 -0.212 6.670 139 HB3 SER 17 HB1 SER 17 -4.427 1.000 7.954 140 HG SER 17 HG SER 17 -2.374 -0.002 8.598 141 H ALA 18 HN ALA 18 -6.131 -2.405 7.169 142 HA ALA 18 HA ALA 18 -8.551 -0.992 7.744 143 HB1 ALA 18 HB1 ALA 18 -8.177 -2.083 5.581 144 HB2 ALA 18 HB2 ALA 18 -9.640 -2.684 6.368 145 HB3 ALA 18 HB3 ALA 18 -8.167 -3.654 6.384 146 H GLY 19 HN GLY 19 -7.075 -3.992 8.825 147 HA2 GLY 19 HA2 GLY 19 -7.439 -5.131 10.776 148 HA3 GLY 19 HA1 GLY 19 -8.792 -4.057 11.133 149 H GLU 20 HN GLU 20 -10.689 -4.331 9.857 150 HA GLU 20 HA GLU 20 -11.148 -7.151 9.220 151 HB2 GLU 20 HB2 GLU 20 -13.007 -5.069 10.365 152 HB3 GLU 20 HB1 GLU 20 -13.549 -6.636 9.777 153 HG2 GLU 20 HG2 GLU 20 -11.537 -6.250 11.985 154 HG3 GLU 20 HG1 GLU 20 -13.261 -6.529 12.234 155 H THR 21 HN THR 21 -10.835 -7.201 7.103 156 HA THR 21 HA THR 21 -12.573 -5.532 5.464 157 HB THR 21 HB THR 21 -10.452 -4.515 5.134 158 HG1 THR 21 HG1 THR 21 -11.253 -4.693 3.147 159 HG21 THR 21 HG21 THR 21 -8.377 -5.727 4.566 160 HG22 THR 21 HG22 THR 21 -9.234 -7.258 4.749 161 HG23 THR 21 HG23 THR 21 -9.001 -6.209 6.145 162 H ASP 22 HN ASP 22 -14.045 -7.117 5.220 163 HA ASP 22 HA ASP 22 -13.107 -9.644 4.038 164 HB2 ASP 22 HB2 ASP 22 -15.010 -10.757 4.908 165 HB3 ASP 22 HB1 ASP 22 -14.480 -9.704 6.206 166 H GLY 23 HN GLY 23 -15.223 -6.901 3.598 167 HA2 GLY 23 HA2 GLY 23 -16.597 -8.026 1.332 168 HA3 GLY 23 HA1 GLY 23 -16.764 -6.398 1.966 169 H THR 24 HN THR 24 -13.811 -6.092 1.849 170 HA THR 24 HA THR 24 -13.638 -4.894 -0.715 171 HB THR 24 HB THR 24 -11.376 -5.548 1.171 172 HG1 THR 24 HG1 THR 24 -13.367 -3.522 1.298 173 HG21 THR 24 HG21 THR 24 -10.758 -4.543 -0.992 174 HG22 THR 24 HG22 THR 24 -10.464 -3.414 0.328 175 HG23 THR 24 HG23 THR 24 -11.884 -3.219 -0.701 176 H ASP 25 HN ASP 25 -13.863 -6.540 -2.264 177 HA ASP 25 HA ASP 25 -12.304 -8.939 -2.250 178 HB2 ASP 25 HB2 ASP 25 -13.733 -7.645 -4.599 179 HB3 ASP 25 HB1 ASP 25 -13.039 -9.261 -4.593 180 H LEU 26 HN LEU 26 -10.261 -8.563 -2.086 181 HA LEU 26 HA LEU 26 -8.964 -6.650 -3.901 182 HB2 LEU 26 HB2 LEU 26 -8.977 -6.440 -1.351 183 HB3 LEU 26 HB1 LEU 26 -7.904 -7.817 -1.346 184 HG LEU 26 HG LEU 26 -6.284 -6.496 -2.673 185 HD11 LEU 26 HD11 LEU 26 -7.863 -4.923 -3.694 186 HD12 LEU 26 HD12 LEU 26 -6.613 -4.059 -2.799 187 HD13 LEU 26 HD13 LEU 26 -8.224 -4.245 -2.106 188 HD21 LEU 26 HD21 LEU 26 -5.591 -5.098 -0.786 189 HD22 LEU 26 HD22 LEU 26 -6.123 -6.700 -0.265 190 HD23 LEU 26 HD23 LEU 26 -7.188 -5.309 -0.059 191 H SER 27 HN SER 27 -9.551 -9.843 -3.434 192 HA SER 27 HA SER 27 -7.117 -11.151 -3.914 193 HB2 SER 27 HB2 SER 27 -9.937 -12.023 -4.549 194 HB3 SER 27 HB1 SER 27 -8.525 -13.081 -4.430 195 HG SER 27 HG SER 27 -8.398 -12.757 -2.331 196 H GLY 28 HN GLY 28 -6.441 -12.274 -5.848 197 HA2 GLY 28 HA2 GLY 28 -6.093 -12.506 -8.127 198 HA3 GLY 28 HA1 GLY 28 -7.524 -11.516 -8.415 199 H ASP 29 HN ASP 29 -6.860 -9.865 -9.682 200 HA ASP 29 HA ASP 29 -4.407 -8.516 -8.840 201 HB2 ASP 29 HB2 ASP 29 -4.521 -9.057 -11.273 202 HB3 ASP 29 HB1 ASP 29 -5.979 -8.072 -11.396 203 H PHE 30 HN PHE 30 -4.491 -6.546 -8.053 204 HA PHE 30 HA PHE 30 -7.126 -5.309 -7.901 205 HB2 PHE 30 HB2 PHE 30 -6.666 -4.686 -5.552 206 HB3 PHE 30 HB1 PHE 30 -6.772 -6.421 -5.789 207 HD1 PHE 30 HD2 PHE 30 -4.564 -7.714 -5.934 208 HD2 PHE 30 HD1 PHE 30 -4.852 -3.730 -4.499 209 HE1 PHE 30 HE2 PHE 30 -2.423 -7.980 -4.773 210 HE2 PHE 30 HE1 PHE 30 -2.712 -3.992 -3.334 211 HZ PHE 30 HZ PHE 30 -1.495 -6.121 -3.473 212 H LEU 31 HN LEU 31 -4.515 -4.890 -9.465 213 HA LEU 31 HA LEU 31 -3.516 -2.450 -8.378 214 HB2 LEU 31 HB2 LEU 31 -2.795 -4.130 -10.736 215 HB3 LEU 31 HB1 LEU 31 -2.238 -2.473 -10.651 216 HG LEU 31 HG LEU 31 -1.079 -2.948 -8.561 217 HD11 LEU 31 HD11 LEU 31 -2.468 -4.699 -7.666 218 HD12 LEU 31 HD12 LEU 31 -0.772 -5.160 -7.717 219 HD13 LEU 31 HD13 LEU 31 -1.901 -5.813 -8.921 220 HD21 LEU 31 HD21 LEU 31 0.693 -4.370 -9.471 221 HD22 LEU 31 HD22 LEU 31 0.134 -3.165 -10.635 222 HD23 LEU 31 HD23 LEU 31 -0.381 -4.847 -10.788 223 H ASP 32 HN ASP 32 -6.139 -3.210 -10.316 224 HA ASP 32 HA ASP 32 -6.152 -0.454 -11.317 225 HB2 ASP 32 HB2 ASP 32 -7.754 -2.827 -12.300 226 HB3 ASP 32 HB1 ASP 32 -7.923 -1.181 -12.897 227 H LEU 33 HN LEU 33 -7.125 -2.112 -8.776 228 HA LEU 33 HA LEU 33 -9.827 -1.159 -8.603 229 HB2 LEU 33 HB2 LEU 33 -7.994 -2.451 -6.593 230 HB3 LEU 33 HB1 LEU 33 -9.598 -1.876 -6.180 231 HG LEU 33 HG LEU 33 -8.986 -4.045 -8.198 232 HD11 LEU 33 HD11 LEU 33 -10.153 -4.173 -5.422 233 HD12 LEU 33 HD12 LEU 33 -8.548 -4.735 -5.892 234 HD13 LEU 33 HD13 LEU 33 -9.983 -5.530 -6.536 235 HD21 LEU 33 HD21 LEU 33 -11.398 -4.395 -8.187 236 HD22 LEU 33 HD22 LEU 33 -10.995 -2.766 -8.733 237 HD23 LEU 33 HD23 LEU 33 -11.593 -3.026 -7.093 238 H ARG 34 HN ARG 34 -10.369 0.754 -8.087 239 HA ARG 34 HA ARG 34 -8.356 2.701 -7.303 240 HB2 ARG 34 HB2 ARG 34 -11.341 3.165 -7.467 241 HB3 ARG 34 HB1 ARG 34 -10.050 4.353 -7.601 242 HG2 ARG 34 HG2 ARG 34 -10.655 2.177 -9.577 243 HG3 ARG 34 HG1 ARG 34 -11.066 3.880 -9.747 244 HD2 ARG 34 HD2 ARG 34 -8.871 4.503 -10.058 245 HD3 ARG 34 HD1 ARG 34 -8.230 3.036 -9.306 246 HE ARG 34 HE ARG 34 -9.628 2.115 -11.421 247 HH11 ARG 34 HH11 ARG 34 -7.117 4.618 -11.294 248 HH12 ARG 34 HH12 ARG 34 -6.451 4.166 -12.803 249 HH21 ARG 34 HH21 ARG 34 -8.680 1.474 -13.354 250 HH22 ARG 34 HH22 ARG 34 -7.278 2.237 -13.973 251 H PHE 35 HN PHE 35 -8.172 3.588 -5.296 252 HA PHE 35 HA PHE 35 -9.151 2.048 -3.141 253 HB2 PHE 35 HB2 PHE 35 -7.848 4.769 -3.098 254 HB3 PHE 35 HB1 PHE 35 -8.188 3.792 -1.669 255 HD1 PHE 35 HD2 PHE 35 -7.078 1.585 -1.403 256 HD2 PHE 35 HD1 PHE 35 -6.013 4.337 -4.439 257 HE1 PHE 35 HE2 PHE 35 -4.953 0.389 -1.734 258 HE2 PHE 35 HE1 PHE 35 -3.933 3.172 -4.804 259 HZ PHE 35 HZ PHE 35 -3.362 1.185 -3.431 260 H GLU 36 HN GLU 36 -10.254 4.944 -4.663 261 HA GLU 36 HA GLU 36 -12.132 5.706 -2.703 262 HB2 GLU 36 HB2 GLU 36 -11.294 7.085 -4.654 263 HB3 GLU 36 HB1 GLU 36 -12.348 6.130 -5.685 264 HG2 GLU 36 HG2 GLU 36 -13.424 8.192 -5.153 265 HG3 GLU 36 HG1 GLU 36 -14.273 6.877 -4.339 266 H ASP 37 HN ASP 37 -12.139 3.350 -5.233 267 HA ASP 37 HA ASP 37 -14.985 2.863 -5.174 268 HB2 ASP 37 HB2 ASP 37 -13.841 2.626 -7.281 269 HB3 ASP 37 HB1 ASP 37 -12.718 1.463 -6.589 270 H ILE 38 HN ILE 38 -12.050 1.287 -4.006 271 HA ILE 38 HA ILE 38 -13.578 -0.950 -3.000 272 HB ILE 38 HB ILE 38 -11.471 -1.902 -2.176 273 HG12 ILE 38 HG12 ILE 38 -10.190 0.611 -3.288 274 HG13 ILE 38 HG11 ILE 38 -10.341 0.218 -1.580 275 HG21 ILE 38 HG21 ILE 38 -10.417 -2.225 -4.359 276 HG22 ILE 38 HG22 ILE 38 -11.355 -0.866 -4.989 277 HG23 ILE 38 HG23 ILE 38 -12.180 -2.328 -4.444 278 HD11 ILE 38 HD11 ILE 38 -8.888 -1.723 -1.905 279 HD12 ILE 38 HD12 ILE 38 -8.098 -0.226 -2.404 280 HD13 ILE 38 HD13 ILE 38 -8.748 -1.327 -3.618 281 H GLY 39 HN GLY 39 -13.341 1.973 -1.803 282 HA2 GLY 39 HA2 GLY 39 -14.163 2.718 0.251 283 HA3 GLY 39 HA1 GLY 39 -14.193 1.047 0.800 284 H TYR 40 HN TYR 40 -11.598 3.154 -0.364 285 HA TYR 40 HA TYR 40 -10.260 2.928 2.216 286 HB2 TYR 40 HB2 TYR 40 -9.246 2.098 -0.434 287 HB3 TYR 40 HB1 TYR 40 -8.143 3.058 0.539 288 HD1 TYR 40 HD2 TYR 40 -10.126 -0.032 0.432 289 HD2 TYR 40 HD1 TYR 40 -7.003 2.076 2.402 290 HE1 TYR 40 HE2 TYR 40 -9.562 -2.066 1.651 291 HE2 TYR 40 HE1 TYR 40 -6.402 0.044 3.639 292 HH TYR 40 HH TYR 40 -7.489 -2.064 4.343 293 H ASP 41 HN ASP 41 -8.929 4.664 2.709 294 HA ASP 41 HA ASP 41 -9.204 6.972 0.935 295 HB2 ASP 41 HB2 ASP 41 -9.632 8.449 2.755 296 HB3 ASP 41 HB1 ASP 41 -10.721 7.089 2.980 297 H SER 42 HN SER 42 -7.635 8.744 1.955 298 HA SER 42 HA SER 42 -5.074 7.899 1.185 299 HB2 SER 42 HB2 SER 42 -4.596 10.255 1.976 300 HB3 SER 42 HB1 SER 42 -5.851 10.089 0.726 301 H LEU 43 HN LEU 43 -6.506 8.919 4.218 302 HA LEU 43 HA LEU 43 -4.198 8.860 5.788 303 HB2 LEU 43 HB2 LEU 43 -7.063 8.541 6.636 304 HB3 LEU 43 HB1 LEU 43 -5.723 8.896 7.702 305 HG LEU 43 HG LEU 43 -6.766 10.685 5.511 306 HD11 LEU 43 HD11 LEU 43 -7.453 12.141 7.346 307 HD12 LEU 43 HD12 LEU 43 -6.903 10.937 8.509 308 HD13 LEU 43 HD13 LEU 43 -8.250 10.570 7.432 309 HD21 LEU 43 HD21 LEU 43 -5.196 12.342 6.393 310 HD22 LEU 43 HD22 LEU 43 -4.360 10.917 5.776 311 HD23 LEU 43 HD23 LEU 43 -4.559 11.138 7.515 312 H ALA 44 HN ALA 44 -6.639 6.394 5.169 313 HA ALA 44 HA ALA 44 -5.641 4.443 6.940 314 HB1 ALA 44 HB1 ALA 44 -7.852 4.257 5.874 315 HB2 ALA 44 HB2 ALA 44 -6.870 2.823 5.574 316 HB3 ALA 44 HB3 ALA 44 -7.071 4.032 4.309 317 H LEU 45 HN LEU 45 -4.987 5.101 3.539 318 HA LEU 45 HA LEU 45 -3.188 3.016 3.091 319 HB2 LEU 45 HB2 LEU 45 -3.388 5.709 1.763 320 HB3 LEU 45 HB1 LEU 45 -2.414 4.380 1.164 321 HG LEU 45 HG LEU 45 -5.407 4.304 1.486 322 HD11 LEU 45 HD11 LEU 45 -3.703 4.619 -0.978 323 HD12 LEU 45 HD12 LEU 45 -4.731 5.860 -0.258 324 HD13 LEU 45 HD13 LEU 45 -5.452 4.405 -0.950 325 HD21 LEU 45 HD21 LEU 45 -4.341 2.131 1.722 326 HD22 LEU 45 HD22 LEU 45 -3.466 2.394 0.211 327 HD23 LEU 45 HD23 LEU 45 -5.224 2.241 0.195 328 H MET 46 HN MET 46 -2.723 6.295 4.237 329 HA MET 46 HA MET 46 0.120 6.317 4.258 330 HB2 MET 46 HB2 MET 46 -1.834 7.903 5.929 331 HB3 MET 46 HB1 MET 46 -0.103 8.208 5.860 332 HG2 MET 46 HG2 MET 46 -0.249 8.792 3.541 333 HG3 MET 46 HG1 MET 46 -1.951 8.310 3.505 334 HE1 MET 46 HE1 MET 46 -2.717 10.544 2.467 335 HE2 MET 46 HE2 MET 46 -1.028 11.039 2.378 336 HE3 MET 46 HE3 MET 46 -2.232 12.130 3.061 337 H GLU 47 HN GLU 47 -2.277 5.196 6.488 338 HA GLU 47 HA GLU 47 -0.518 4.763 8.674 339 HB2 GLU 47 HB2 GLU 47 -2.987 5.008 8.872 340 HB3 GLU 47 HB1 GLU 47 -3.183 3.472 8.052 341 HG2 GLU 47 HG2 GLU 47 -2.134 2.306 9.867 342 HG3 GLU 47 HG1 GLU 47 -1.749 3.831 10.668 343 H THR 48 HN THR 48 -1.819 2.741 6.060 344 HA THR 48 HA THR 48 -0.567 0.332 6.641 345 HB THR 48 HB THR 48 -1.040 1.510 3.883 346 HG1 THR 48 HG1 THR 48 -2.720 0.573 5.882 347 HG21 THR 48 HG21 THR 48 -1.027 -1.351 4.898 348 HG22 THR 48 HG22 THR 48 0.205 -0.618 3.870 349 HG23 THR 48 HG23 THR 48 -1.435 -0.848 3.263 350 H ALA 49 HN ALA 49 0.473 2.981 4.528 351 HA ALA 49 HA ALA 49 2.973 2.109 3.749 352 HB1 ALA 49 HB1 ALA 49 1.866 4.080 2.837 353 HB2 ALA 49 HB2 ALA 49 3.499 4.469 3.393 354 HB3 ALA 49 HB3 ALA 49 2.105 4.925 4.368 355 H ALA 50 HN ALA 50 2.189 4.131 6.575 356 HA ALA 50 HA ALA 50 4.778 4.367 7.588 357 HB1 ALA 50 HB1 ALA 50 2.904 5.782 8.285 358 HB2 ALA 50 HB2 ALA 50 3.720 5.051 9.670 359 HB3 ALA 50 HB3 ALA 50 2.178 4.402 9.110 360 H ARG 51 HN ARG 51 2.312 1.920 8.166 361 HA ARG 51 HA ARG 51 3.853 0.603 10.152 362 HB2 ARG 51 HB2 ARG 51 1.433 0.411 10.157 363 HB3 ARG 51 HB1 ARG 51 1.459 -0.348 8.575 364 HG2 ARG 51 HG2 ARG 51 2.426 -2.316 9.433 365 HG3 ARG 51 HG1 ARG 51 2.798 -1.540 10.977 366 HD2 ARG 51 HD2 ARG 51 0.475 -1.369 11.502 367 HD3 ARG 51 HD1 ARG 51 0.025 -1.949 9.901 368 HE ARG 51 HE ARG 51 1.094 -4.079 10.536 369 HH11 ARG 51 HH11 ARG 51 0.143 -1.950 13.208 370 HH12 ARG 51 HH12 ARG 51 -0.276 -3.250 14.219 371 HH21 ARG 51 HH21 ARG 51 0.499 -5.792 11.898 372 HH22 ARG 51 HH22 ARG 51 -0.153 -5.476 13.443 373 H LEU 52 HN LEU 52 3.450 0.230 6.716 374 HA LEU 52 HA LEU 52 4.978 -2.090 6.397 375 HB2 LEU 52 HB2 LEU 52 4.275 0.172 4.576 376 HB3 LEU 52 HB1 LEU 52 5.329 -1.129 4.035 377 HG LEU 52 HG LEU 52 2.593 -1.652 5.181 378 HD11 LEU 52 HD11 LEU 52 1.817 -1.910 2.893 379 HD12 LEU 52 HD12 LEU 52 3.386 -1.380 2.285 380 HD13 LEU 52 HD13 LEU 52 2.358 -0.257 3.175 381 HD21 LEU 52 HD21 LEU 52 2.916 -3.774 4.011 382 HD22 LEU 52 HD22 LEU 52 4.140 -3.482 5.246 383 HD23 LEU 52 HD23 LEU 52 4.530 -3.248 3.540 384 H GLU 53 HN GLU 53 5.925 1.268 6.655 385 HA GLU 53 HA GLU 53 8.642 0.993 6.042 386 HB2 GLU 53 HB2 GLU 53 7.376 2.820 8.087 387 HB3 GLU 53 HB1 GLU 53 8.991 2.997 7.430 388 HG2 GLU 53 HG2 GLU 53 8.012 3.354 5.210 389 HG3 GLU 53 HG1 GLU 53 6.402 3.261 5.937 390 H SER 54 HN SER 54 6.797 0.410 8.912 391 HA SER 54 HA SER 54 9.039 -0.106 10.615 392 HB2 SER 54 HB2 SER 54 6.992 0.880 11.496 393 HB3 SER 54 HB1 SER 54 6.060 -0.513 10.961 394 HG SER 54 HG SER 54 8.019 -0.343 12.978 395 H ARG 55 HN ARG 55 6.954 -1.956 8.529 396 HA ARG 55 HA ARG 55 7.633 -4.459 9.803 397 HB2 ARG 55 HB2 ARG 55 5.375 -4.109 8.900 398 HB3 ARG 55 HB1 ARG 55 6.054 -3.989 7.280 399 HG2 ARG 55 HG2 ARG 55 6.816 -6.268 7.386 400 HG3 ARG 55 HG1 ARG 55 6.279 -6.402 9.057 401 HD2 ARG 55 HD2 ARG 55 3.958 -6.046 8.308 402 HD3 ARG 55 HD1 ARG 55 4.528 -5.977 6.637 403 HE ARG 55 HE ARG 55 5.521 -8.301 7.748 404 HH11 ARG 55 HH11 ARG 55 2.213 -7.079 7.184 405 HH12 ARG 55 HH12 ARG 55 1.589 -8.618 6.854 406 HH21 ARG 55 HH21 ARG 55 4.689 -10.323 7.230 407 HH22 ARG 55 HH22 ARG 55 3.049 -10.547 6.843 408 H TYR 56 HN TYR 56 8.192 -3.075 6.556 409 HA TYR 56 HA TYR 56 10.110 -5.240 6.143 410 HB2 TYR 56 HB2 TYR 56 8.826 -3.351 4.165 411 HB3 TYR 56 HB1 TYR 56 10.077 -4.512 3.740 412 HD1 TYR 56 HD2 TYR 56 9.571 -6.907 3.660 413 HD2 TYR 56 HD1 TYR 56 6.553 -4.088 4.678 414 HE1 TYR 56 HE2 TYR 56 7.852 -8.630 3.318 415 HE2 TYR 56 HE1 TYR 56 4.821 -5.811 4.340 416 HH TYR 56 HH TYR 56 4.501 -7.965 3.149 417 H GLY 57 HN GLY 57 10.065 -2.114 7.151 418 HA2 GLY 57 HA2 GLY 57 11.763 -0.651 7.626 419 HA3 GLY 57 HA1 GLY 57 12.897 -1.870 7.051 420 H VAL 58 HN VAL 58 10.668 0.633 5.982 421 HA VAL 58 HA VAL 58 12.422 1.105 3.720 422 HB VAL 58 HB VAL 58 10.474 1.484 2.168 423 HG11 VAL 58 HG11 VAL 58 10.764 -1.320 3.226 424 HG12 VAL 58 HG12 VAL 58 11.778 -0.553 2.003 425 HG13 VAL 58 HG13 VAL 58 10.077 -0.875 1.661 426 HG21 VAL 58 HG21 VAL 58 8.911 0.060 4.321 427 HG22 VAL 58 HG22 VAL 58 8.322 0.439 2.700 428 HG23 VAL 58 HG23 VAL 58 8.709 1.741 3.824 429 H SER 59 HN SER 59 11.566 3.192 2.502 430 HA SER 59 HA SER 59 10.931 5.161 4.583 431 HB2 SER 59 HB2 SER 59 12.585 5.597 2.074 432 HB3 SER 59 HB1 SER 59 12.383 6.715 3.425 433 HG SER 59 HG SER 59 13.292 4.831 4.691 434 H ILE 60 HN ILE 60 8.780 5.593 4.252 435 HA ILE 60 HA ILE 60 7.934 6.122 1.481 436 HB ILE 60 HB ILE 60 6.238 4.841 3.643 437 HG12 ILE 60 HG12 ILE 60 7.890 3.235 2.759 438 HG13 ILE 60 HG11 ILE 60 6.255 2.799 2.285 439 HG21 ILE 60 HG21 ILE 60 5.604 5.470 0.769 440 HG22 ILE 60 HG22 ILE 60 4.906 6.235 2.201 441 HG23 ILE 60 HG23 ILE 60 4.571 4.539 1.847 442 HD11 ILE 60 HD11 ILE 60 7.827 2.448 0.474 443 HD12 ILE 60 HD12 ILE 60 8.306 4.147 0.537 444 HD13 ILE 60 HD13 ILE 60 6.664 3.708 0.059 445 HA PRO 61 HA PRO 61 6.979 9.989 3.676 446 HB2 PRO 61 HB2 PRO 61 6.347 10.859 0.920 447 HB3 PRO 61 HB1 PRO 61 7.465 11.574 2.085 448 HG2 PRO 61 HG2 PRO 61 8.358 10.264 -0.070 449 HG3 PRO 61 HG1 PRO 61 9.201 10.162 1.487 450 HD2 PRO 61 HD2 PRO 61 7.344 8.192 0.208 451 HD3 PRO 61 HD1 PRO 61 8.865 7.904 1.084 452 H ASP 62 HN ASP 62 5.071 10.495 4.458 453 HA ASP 62 HA ASP 62 2.779 9.006 4.070 454 HB2 ASP 62 HB2 ASP 62 1.552 10.673 5.394 455 HB3 ASP 62 HB1 ASP 62 3.108 10.288 6.106 456 H ASP 63 HN ASP 63 3.608 12.028 2.463 457 HA ASP 63 HA ASP 63 1.014 12.619 1.509 458 HB2 ASP 63 HB2 ASP 63 2.006 14.342 0.228 459 HB3 ASP 63 HB1 ASP 63 2.992 14.217 1.677 460 H VAL 64 HN VAL 64 3.447 10.473 0.427 461 HA VAL 64 HA VAL 64 2.634 10.307 -2.306 462 HB VAL 64 HB VAL 64 4.128 8.294 -0.664 463 HG11 VAL 64 HG11 VAL 64 3.330 7.407 -2.804 464 HG12 VAL 64 HG12 VAL 64 5.084 7.593 -2.872 465 HG13 VAL 64 HG13 VAL 64 4.041 8.773 -3.664 466 HG21 VAL 64 HG21 VAL 64 6.201 9.321 -1.544 467 HG22 VAL 64 HG22 VAL 64 5.269 10.431 -0.540 468 HG23 VAL 64 HG23 VAL 64 5.230 10.584 -2.297 469 H ALA 65 HN ALA 65 1.810 8.650 0.668 470 HA ALA 65 HA ALA 65 0.427 6.512 -0.634 471 HB1 ALA 65 HB1 ALA 65 -0.328 5.878 1.599 472 HB2 ALA 65 HB2 ALA 65 0.295 7.397 2.245 473 HB3 ALA 65 HB3 ALA 65 1.405 6.201 1.582 474 H GLY 66 HN GLY 66 -0.329 9.719 0.049 475 HA2 GLY 66 HA2 GLY 66 -3.203 9.202 -0.237 476 HA3 GLY 66 HA1 GLY 66 -2.482 10.735 0.250 477 H ARG 67 HN ARG 67 -0.788 9.256 -2.217 478 HA ARG 67 HA ARG 67 -1.993 11.034 -4.251 479 HB2 ARG 67 HB2 ARG 67 0.399 11.407 -3.468 480 HB3 ARG 67 HB1 ARG 67 0.790 9.860 -4.187 481 HG2 ARG 67 HG2 ARG 67 -0.069 10.826 -6.374 482 HG3 ARG 67 HG1 ARG 67 -0.059 12.393 -5.558 483 HD2 ARG 67 HD2 ARG 67 2.282 10.559 -6.044 484 HD3 ARG 67 HD1 ARG 67 2.013 12.151 -6.744 485 HE ARG 67 HE ARG 67 2.056 12.650 -4.095 486 HH11 ARG 67 HH11 ARG 67 4.337 10.994 -6.314 487 HH12 ARG 67 HH12 ARG 67 5.687 11.270 -5.308 488 HH21 ARG 67 HH21 ARG 67 4.065 13.043 -2.742 489 HH22 ARG 67 HH22 ARG 67 5.530 12.435 -3.335 490 H VAL 68 HN VAL 68 -1.800 7.856 -3.263 491 HA VAL 68 HA VAL 68 -1.322 6.741 -5.888 492 HB VAL 68 HB VAL 68 -1.338 4.522 -4.782 493 HG11 VAL 68 HG11 VAL 68 0.702 4.771 -3.500 494 HG12 VAL 68 HG12 VAL 68 0.386 6.489 -3.305 495 HG13 VAL 68 HG13 VAL 68 0.741 5.851 -4.901 496 HG21 VAL 68 HG21 VAL 68 -2.941 4.955 -2.970 497 HG22 VAL 68 HG22 VAL 68 -1.781 6.044 -2.205 498 HG23 VAL 68 HG23 VAL 68 -1.422 4.323 -2.336 499 H ASP 69 HN ASP 69 -2.935 6.665 -7.264 500 HA ASP 69 HA ASP 69 -5.694 6.533 -6.417 501 HB2 ASP 69 HB2 ASP 69 -5.122 7.715 -8.527 502 HB3 ASP 69 HB1 ASP 69 -4.535 6.208 -9.196 503 H THR 70 HN THR 70 -3.267 4.330 -7.680 504 HA THR 70 HA THR 70 -5.144 2.198 -7.105 505 HB THR 70 HB THR 70 -4.292 0.960 -9.104 506 HG1 THR 70 HG1 THR 70 -2.774 3.267 -9.351 507 HG21 THR 70 HG21 THR 70 -5.644 3.582 -9.605 508 HG22 THR 70 HG22 THR 70 -6.424 2.053 -9.169 509 HG23 THR 70 HG23 THR 70 -5.619 2.224 -10.735 510 HA PRO 71 HA PRO 71 -1.979 0.340 -4.769 511 HB2 PRO 71 HB2 PRO 71 -2.731 -2.217 -6.079 512 HB3 PRO 71 HB1 PRO 71 -2.644 -1.815 -4.358 513 HG2 PRO 71 HG2 PRO 71 -4.999 -1.999 -5.509 514 HG3 PRO 71 HG1 PRO 71 -4.668 -0.647 -4.404 515 HD2 PRO 71 HD2 PRO 71 -4.653 -0.679 -7.403 516 HD3 PRO 71 HD1 PRO 71 -5.388 0.502 -6.294 517 H ARG 72 HN ARG 72 -1.963 -0.013 -8.220 518 HA ARG 72 HA ARG 72 0.472 -1.393 -8.406 519 HB2 ARG 72 HB2 ARG 72 0.641 -0.579 -10.731 520 HB3 ARG 72 HB1 ARG 72 -0.968 -1.173 -10.374 521 HG2 ARG 72 HG2 ARG 72 -1.767 1.115 -10.161 522 HG3 ARG 72 HG1 ARG 72 -0.138 1.711 -10.474 523 HD2 ARG 72 HD2 ARG 72 -1.442 1.841 -12.496 524 HD3 ARG 72 HD1 ARG 72 -0.194 0.613 -12.680 525 HE ARG 72 HE ARG 72 -3.058 0.120 -12.266 526 HH11 ARG 72 HH11 ARG 72 0.140 -1.088 -13.238 527 HH12 ARG 72 HH12 ARG 72 -0.469 -2.467 -14.023 528 HH21 ARG 72 HH21 ARG 72 -3.899 -1.718 -13.524 529 HH22 ARG 72 HH22 ARG 72 -2.821 -2.826 -14.200 530 H GLU 73 HN GLU 73 -0.333 2.016 -7.952 531 HA GLU 73 HA GLU 73 2.287 3.068 -8.208 532 HB2 GLU 73 HB2 GLU 73 -0.226 4.044 -6.896 533 HB3 GLU 73 HB1 GLU 73 1.257 4.891 -6.587 534 HG2 GLU 73 HG2 GLU 73 0.163 6.089 -8.241 535 HG3 GLU 73 HG1 GLU 73 1.423 5.199 -9.089 536 H LEU 74 HN LEU 74 0.334 2.035 -5.494 537 HA LEU 74 HA LEU 74 2.154 2.705 -3.451 538 HB2 LEU 74 HB2 LEU 74 -0.374 2.220 -3.344 539 HB3 LEU 74 HB1 LEU 74 0.051 0.531 -3.312 540 HG LEU 74 HG LEU 74 -0.550 1.484 -1.105 541 HD11 LEU 74 HD11 LEU 74 0.832 -0.498 -1.154 542 HD12 LEU 74 HD12 LEU 74 1.307 0.551 0.184 543 HD13 LEU 74 HD13 LEU 74 2.283 0.495 -1.282 544 HD21 LEU 74 HD21 LEU 74 0.337 3.713 -1.369 545 HD22 LEU 74 HD22 LEU 74 1.982 3.080 -1.425 546 HD23 LEU 74 HD23 LEU 74 1.035 2.947 0.059 547 H LEU 75 HN LEU 75 1.596 -0.290 -5.249 548 HA LEU 75 HA LEU 75 3.419 -1.973 -3.955 549 HB2 LEU 75 HB2 LEU 75 1.691 -2.706 -5.563 550 HB3 LEU 75 HB1 LEU 75 2.559 -1.911 -6.852 551 HG LEU 75 HG LEU 75 4.437 -3.507 -6.510 552 HD11 LEU 75 HD11 LEU 75 2.510 -4.865 -4.633 553 HD12 LEU 75 HD12 LEU 75 4.028 -4.086 -4.187 554 HD13 LEU 75 HD13 LEU 75 4.043 -5.528 -5.203 555 HD21 LEU 75 HD21 LEU 75 2.769 -3.884 -8.236 556 HD22 LEU 75 HD22 LEU 75 1.737 -4.724 -7.082 557 HD23 LEU 75 HD23 LEU 75 3.296 -5.414 -7.538 558 H ASP 76 HN ASP 76 3.774 -0.038 -6.918 559 HA ASP 76 HA ASP 76 6.452 -0.562 -7.496 560 HB2 ASP 76 HB2 ASP 76 5.110 0.473 -9.166 561 HB3 ASP 76 HB1 ASP 76 4.716 1.820 -8.112 562 H LEU 77 HN LEU 77 5.047 2.006 -5.576 563 HA LEU 77 HA LEU 77 7.241 3.534 -4.915 564 HB2 LEU 77 HB2 LEU 77 4.991 4.145 -4.355 565 HB3 LEU 77 HB1 LEU 77 4.824 2.756 -3.304 566 HG LEU 77 HG LEU 77 6.545 3.752 -1.813 567 HD11 LEU 77 HD11 LEU 77 6.212 6.172 -3.576 568 HD12 LEU 77 HD12 LEU 77 7.668 5.192 -3.412 569 HD13 LEU 77 HD13 LEU 77 7.072 6.122 -2.036 570 HD21 LEU 77 HD21 LEU 77 4.067 5.384 -2.335 571 HD22 LEU 77 HD22 LEU 77 5.017 5.401 -0.847 572 HD23 LEU 77 HD23 LEU 77 4.175 3.933 -1.336 573 H ILE 78 HN ILE 78 5.937 0.739 -3.132 574 HA ILE 78 HA ILE 78 8.103 0.835 -1.297 575 HB ILE 78 HB ILE 78 5.980 -1.307 -1.612 576 HG12 ILE 78 HG12 ILE 78 6.169 1.092 0.215 577 HG13 ILE 78 HG11 ILE 78 5.082 0.921 -1.156 578 HG21 ILE 78 HG21 ILE 78 6.589 -1.935 0.696 579 HG22 ILE 78 HG22 ILE 78 7.865 -0.719 0.694 580 HG23 ILE 78 HG23 ILE 78 7.974 -2.110 -0.383 581 HD11 ILE 78 HD11 ILE 78 5.082 -0.727 1.337 582 HD12 ILE 78 HD12 ILE 78 3.995 -0.940 -0.038 583 HD13 ILE 78 HD13 ILE 78 3.932 0.544 0.920 584 H ASN 79 HN ASN 79 7.389 -1.001 -4.174 585 HA ASN 79 HA ASN 79 9.425 -2.931 -3.912 586 HB2 ASN 79 HB2 ASN 79 8.244 -1.694 -6.405 587 HB3 ASN 79 HB1 ASN 79 9.454 -2.965 -6.463 588 HD21 ASN 79 HD21 ASN 79 8.384 -4.399 -4.150 589 HD22 ASN 79 HD22 ASN 79 6.925 -5.143 -4.704 590 H GLY 80 HN GLY 80 9.520 0.360 -5.127 591 HA2 GLY 80 HA2 GLY 80 12.260 0.318 -5.875 592 HA3 GLY 80 HA1 GLY 80 11.304 1.759 -5.535 593 H ALA 81 HN ALA 81 10.562 1.391 -2.987 594 HA ALA 81 HA ALA 81 12.770 2.240 -1.508 595 HB1 ALA 81 HB1 ALA 81 11.344 2.053 0.459 596 HB2 ALA 81 HB2 ALA 81 10.207 1.057 -0.447 597 HB3 ALA 81 HB3 ALA 81 10.452 2.747 -0.895 598 H LEU 82 HN LEU 82 11.306 -0.968 -1.726 599 HA LEU 82 HA LEU 82 12.877 -2.253 0.223 600 HB2 LEU 82 HB2 LEU 82 11.425 -3.311 -2.180 601 HB3 LEU 82 HB1 LEU 82 12.286 -4.350 -1.066 602 HG LEU 82 HG LEU 82 10.023 -2.539 -0.230 603 HD11 LEU 82 HD11 LEU 82 10.009 -5.478 -0.895 604 HD12 LEU 82 HD12 LEU 82 9.249 -4.200 -1.843 605 HD13 LEU 82 HD13 LEU 82 8.660 -4.563 -0.220 606 HD21 LEU 82 HD21 LEU 82 10.006 -3.970 1.743 607 HD22 LEU 82 HD22 LEU 82 11.569 -3.177 1.544 608 HD23 LEU 82 HD23 LEU 82 11.378 -4.875 1.103 609 H ALA 83 HN ALA 83 13.576 -1.442 -3.083 610 HA ALA 83 HA ALA 83 15.770 -3.273 -3.296 611 HB1 ALA 83 HB1 ALA 83 16.282 -2.112 -5.385 612 HB2 ALA 83 HB2 ALA 83 15.112 -0.855 -4.980 613 HB3 ALA 83 HB3 ALA 83 14.565 -2.504 -5.289 614 H GLU 84 HN GLU 84 15.281 -0.118 -2.091 615 HA GLU 84 HA GLU 84 18.110 0.520 -1.952 616 HB2 GLU 84 HB2 GLU 84 16.497 2.278 -2.448 617 HB3 GLU 84 HB1 GLU 84 15.656 1.954 -0.941 618 HG2 GLU 84 HG2 GLU 84 17.604 2.680 0.311 619 HG3 GLU 84 HG1 GLU 84 18.465 2.978 -1.202 620 H ALA 85 HN ALA 85 15.472 -0.476 0.091 621 HA ALA 85 HA ALA 85 16.671 -0.234 2.601 622 HB1 ALA 85 HB1 ALA 85 14.554 -2.164 1.681 623 HB2 ALA 85 HB2 ALA 85 14.272 -0.520 2.260 624 HB3 ALA 85 HB3 ALA 85 14.919 -1.741 3.353 625 H ALA 86 HN ALA 86 18.256 -1.299 3.435 626 HA ALA 86 HA ALA 86 18.820 -4.023 2.505 627 HB1 ALA 86 HB1 ALA 86 20.742 -1.985 3.648 628 HB2 ALA 86 HB2 ALA 86 20.632 -2.458 1.955 629 HB3 ALA 86 HB3 ALA 86 21.161 -3.628 3.164 630 H28 SXV 87 H28A SXV 87 -5.966 14.347 1.620 631 H28A SXV 87 H28B SXV 87 -6.166 14.479 3.362 632 H30 SXV 87 H30C SXV 87 -2.627 14.712 4.217 633 H30A SXV 87 H30A SXV 87 -3.580 13.228 4.171 634 H30B SXV 87 H30B SXV 87 -4.279 14.703 4.837 635 H31 SXV 87 H31C SXV 87 -2.231 14.559 1.711 636 H31A SXV 87 H31A SXV 87 -3.619 14.371 0.636 637 H31B SXV 87 H31B SXV 87 -3.147 13.052 1.708 638 H32 SXV 87 H32A SXV 87 -4.814 16.647 3.383 639 HO33 SXV 87 H33A SXV 87 -5.894 16.701 1.572 640 HN36 SXV 87 H36A SXV 87 -3.531 17.969 1.026 641 H37 SXV 87 H37B SXV 87 -0.692 18.066 1.738 642 H37A SXV 87 H37A SXV 87 -1.591 19.553 1.991 643 H38 SXV 87 H38B SXV 87 -2.054 19.695 -0.393 644 H38A SXV 87 H38A SXV 87 -1.325 18.093 -0.632 645 HN41 SXV 87 H41A SXV 87 -0.226 19.531 -2.241 646 H42 SXV 87 H42B SXV 87 2.303 20.428 -1.067 647 H42A SXV 87 H42A SXV 87 1.561 21.363 -2.335 648 H43 SXV 87 H43B SXV 87 2.270 18.466 -2.586 649 H43A SXV 87 H43A SXV 87 2.031 19.566 -3.922 650 H1 SXV 87 H1B SXV 87 5.605 19.609 -0.982 651 H1A SXV 87 H1A SXV 87 3.922 19.937 -0.525 652 H2 SXV 87 H2A SXV 87 4.986 17.309 -1.418 653 H2A SXV 87 H2B SXV 87 3.281 17.666 -1.138 654 H4 SXV 87 H4C SXV 87 2.945 17.425 2.109 655 H4A SXV 87 H4A SXV 87 2.822 18.852 1.073 656 H4B SXV 87 H4B SXV 87 4.063 18.777 2.333 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 19.037 -8.810 -2.700 2 H2 MET 1 HT2 MET 1 20.164 -8.076 -1.694 3 H3 MET 1 HT3 MET 1 20.620 -8.531 -3.244 4 HA MET 1 HA MET 1 20.262 -6.151 -3.016 5 HB2 MET 1 HB2 MET 1 18.073 -7.466 -4.663 6 HB3 MET 1 HB1 MET 1 18.674 -5.831 -4.875 7 HG2 MET 1 HG2 MET 1 20.234 -8.367 -5.316 8 HG3 MET 1 HG1 MET 1 19.566 -7.324 -6.566 9 HE1 MET 1 HE1 MET 1 20.148 -4.421 -5.465 10 HE2 MET 1 HE2 MET 1 20.478 -4.907 -7.127 11 HE3 MET 1 HE3 MET 1 21.720 -4.080 -6.190 12 H ALA 2 HN ALA 2 16.972 -7.460 -3.170 13 HA ALA 2 HA ALA 2 16.103 -6.746 -0.638 14 HB1 ALA 2 HB1 ALA 2 15.409 -4.720 -2.788 15 HB2 ALA 2 HB2 ALA 2 16.406 -4.407 -1.367 16 HB3 ALA 2 HB3 ALA 2 14.693 -4.787 -1.176 17 H THR 3 HN THR 3 14.473 -8.090 -0.442 18 HA THR 3 HA THR 3 13.334 -9.358 -2.721 19 HB THR 3 HB THR 3 11.934 -10.422 -0.823 20 HG1 THR 3 HG1 THR 3 12.130 -9.457 0.992 21 HG21 THR 3 HG21 THR 3 13.829 -11.825 -0.097 22 HG22 THR 3 HG22 THR 3 14.954 -10.631 -0.742 23 HG23 THR 3 HG23 THR 3 13.891 -11.519 -1.833 24 H LEU 4 HN LEU 4 11.938 -8.190 -3.909 25 HA LEU 4 HA LEU 4 10.448 -6.014 -2.959 26 HB2 LEU 4 HB2 LEU 4 10.030 -7.660 -5.449 27 HB3 LEU 4 HB1 LEU 4 9.242 -6.131 -5.118 28 HG LEU 4 HG LEU 4 12.210 -6.536 -5.497 29 HD11 LEU 4 HD11 LEU 4 11.894 -5.300 -7.573 30 HD12 LEU 4 HD12 LEU 4 10.154 -5.262 -7.287 31 HD13 LEU 4 HD13 LEU 4 10.968 -6.802 -7.561 32 HD21 LEU 4 HD21 LEU 4 11.733 -4.703 -3.946 33 HD22 LEU 4 HD22 LEU 4 10.626 -3.989 -5.123 34 HD23 LEU 4 HD23 LEU 4 12.346 -4.092 -5.481 35 H LEU 5 HN LEU 5 8.372 -5.761 -2.399 36 HA LEU 5 HA LEU 5 7.162 -7.958 -1.101 37 HB2 LEU 5 HB2 LEU 5 5.498 -6.477 -0.320 38 HB3 LEU 5 HB1 LEU 5 6.986 -5.569 -0.330 39 HG LEU 5 HG LEU 5 4.887 -5.333 -2.487 40 HD11 LEU 5 HD11 LEU 5 5.284 -3.653 -0.029 41 HD12 LEU 5 HD12 LEU 5 3.919 -4.715 -0.362 42 HD13 LEU 5 HD13 LEU 5 4.186 -3.281 -1.357 43 HD21 LEU 5 HD21 LEU 5 7.232 -3.579 -1.733 44 HD22 LEU 5 HD22 LEU 5 5.969 -3.133 -2.870 45 HD23 LEU 5 HD23 LEU 5 7.025 -4.484 -3.244 46 H THR 6 HN THR 6 5.206 -8.914 -1.560 47 HA THR 6 HA THR 6 4.662 -8.999 -4.404 48 HB THR 6 HB THR 6 3.436 -11.085 -3.833 49 HG1 THR 6 HG1 THR 6 4.539 -10.732 -1.209 50 HG21 THR 6 HG21 THR 6 5.815 -11.186 -4.474 51 HG22 THR 6 HG22 THR 6 5.429 -12.429 -3.282 52 HG23 THR 6 HG23 THR 6 6.276 -10.964 -2.786 53 H THR 7 HN THR 7 2.195 -9.728 -4.679 54 HA THR 7 HA THR 7 0.494 -7.626 -4.073 55 HB THR 7 HB THR 7 -1.206 -9.502 -4.701 56 HG1 THR 7 HG1 THR 7 -0.354 -11.411 -5.182 57 HG21 THR 7 HG21 THR 7 -0.402 -7.773 -6.276 58 HG22 THR 7 HG22 THR 7 -0.573 -9.336 -7.073 59 HG23 THR 7 HG23 THR 7 1.026 -8.752 -6.610 60 H ASP 8 HN ASP 8 1.122 -10.755 -2.649 61 HA ASP 8 HA ASP 8 -0.837 -10.894 -0.668 62 HB2 ASP 8 HB2 ASP 8 0.530 -12.818 -1.217 63 HB3 ASP 8 HB1 ASP 8 1.981 -11.986 -0.672 64 H ASP 9 HN ASP 9 2.468 -9.674 -0.467 65 HA ASP 9 HA ASP 9 2.432 -8.911 2.244 66 HB2 ASP 9 HB2 ASP 9 4.045 -7.654 0.019 67 HB3 ASP 9 HB1 ASP 9 4.326 -7.396 1.734 68 H LEU 10 HN LEU 10 1.664 -7.069 -0.643 69 HA LEU 10 HA LEU 10 1.125 -4.635 0.703 70 HB2 LEU 10 HB2 LEU 10 1.656 -4.798 -1.698 71 HB3 LEU 10 HB1 LEU 10 0.134 -5.619 -1.976 72 HG LEU 10 HG LEU 10 -1.073 -3.575 -1.289 73 HD11 LEU 10 HD11 LEU 10 0.608 -2.631 0.200 74 HD12 LEU 10 HD12 LEU 10 0.158 -1.472 -1.052 75 HD13 LEU 10 HD13 LEU 10 1.681 -2.353 -1.171 76 HD21 LEU 10 HD21 LEU 10 0.964 -3.175 -3.477 77 HD22 LEU 10 HD22 LEU 10 -0.537 -2.267 -3.284 78 HD23 LEU 10 HD23 LEU 10 -0.590 -3.993 -3.640 79 H ARG 11 HN ARG 11 -0.877 -7.330 -0.362 80 HA ARG 11 HA ARG 11 -3.419 -6.380 0.253 81 HB2 ARG 11 HB2 ARG 11 -2.969 -8.448 -1.000 82 HB3 ARG 11 HB1 ARG 11 -2.353 -9.197 0.463 83 HG2 ARG 11 HG2 ARG 11 -4.593 -8.998 1.470 84 HG3 ARG 11 HG1 ARG 11 -5.184 -8.323 -0.053 85 HD2 ARG 11 HD2 ARG 11 -3.972 -11.056 0.354 86 HD3 ARG 11 HD1 ARG 11 -5.674 -10.698 0.075 87 HE ARG 11 HE ARG 11 -4.989 -9.855 -2.132 88 HH11 ARG 11 HH11 ARG 11 -2.910 -12.160 -0.446 89 HH12 ARG 11 HH12 ARG 11 -2.279 -12.879 -1.857 90 HH21 ARG 11 HH21 ARG 11 -4.013 -10.741 -4.139 91 HH22 ARG 11 HH22 ARG 11 -2.875 -11.980 -4.017 92 H ARG 12 HN ARG 12 -1.102 -8.161 2.237 93 HA ARG 12 HA ARG 12 -2.518 -8.486 4.587 94 HB2 ARG 12 HB2 ARG 12 0.418 -7.854 4.271 95 HB3 ARG 12 HB1 ARG 12 -0.322 -8.416 5.758 96 HG2 ARG 12 HG2 ARG 12 -0.918 -10.513 4.667 97 HG3 ARG 12 HG1 ARG 12 -0.182 -9.935 3.166 98 HD2 ARG 12 HD2 ARG 12 1.968 -9.744 4.273 99 HD3 ARG 12 HD1 ARG 12 1.247 -10.257 5.794 100 HE ARG 12 HE ARG 12 1.476 -11.966 3.398 101 HH11 ARG 12 HH11 ARG 12 1.343 -11.559 6.924 102 HH12 ARG 12 HH12 ARG 12 1.861 -13.137 7.287 103 HH21 ARG 12 HH21 ARG 12 2.189 -14.153 3.885 104 HH22 ARG 12 HH22 ARG 12 2.338 -14.648 5.521 105 H ALA 13 HN ALA 13 -0.436 -5.768 3.697 106 HA ALA 13 HA ALA 13 -0.892 -4.292 6.059 107 HB1 ALA 13 HB1 ALA 13 0.027 -3.282 3.379 108 HB2 ALA 13 HB2 ALA 13 1.060 -3.965 4.637 109 HB3 ALA 13 HB3 ALA 13 0.197 -2.454 4.926 110 H LEU 14 HN LEU 14 -2.502 -4.318 2.947 111 HA LEU 14 HA LEU 14 -4.151 -2.074 3.423 112 HB2 LEU 14 HB2 LEU 14 -4.464 -4.430 1.574 113 HB3 LEU 14 HB1 LEU 14 -5.622 -3.120 1.637 114 HG LEU 14 HG LEU 14 -2.706 -2.766 0.920 115 HD11 LEU 14 HD11 LEU 14 -3.866 -4.118 -0.749 116 HD12 LEU 14 HD12 LEU 14 -3.508 -2.505 -1.370 117 HD13 LEU 14 HD13 LEU 14 -5.144 -2.904 -0.847 118 HD21 LEU 14 HD21 LEU 14 -5.083 -0.920 0.699 119 HD22 LEU 14 HD22 LEU 14 -3.450 -0.570 0.135 120 HD23 LEU 14 HD23 LEU 14 -3.766 -0.771 1.859 121 H VAL 15 HN VAL 15 -4.347 -5.390 4.398 122 HA VAL 15 HA VAL 15 -7.047 -5.059 5.350 123 HB VAL 15 HB VAL 15 -5.079 -7.322 5.909 124 HG11 VAL 15 HG11 VAL 15 -8.062 -7.176 6.375 125 HG12 VAL 15 HG12 VAL 15 -6.816 -7.166 7.624 126 HG13 VAL 15 HG13 VAL 15 -7.045 -8.596 6.619 127 HG21 VAL 15 HG21 VAL 15 -7.365 -7.154 3.942 128 HG22 VAL 15 HG22 VAL 15 -6.380 -8.583 4.261 129 HG23 VAL 15 HG23 VAL 15 -5.647 -7.151 3.543 130 H GLU 16 HN GLU 16 -3.785 -5.086 6.697 131 HA GLU 16 HA GLU 16 -4.387 -4.921 9.421 132 HB2 GLU 16 HB2 GLU 16 -1.980 -3.713 8.004 133 HB3 GLU 16 HB1 GLU 16 -2.155 -3.969 9.732 134 HG2 GLU 16 HG2 GLU 16 -2.332 -6.355 9.383 135 HG3 GLU 16 HG1 GLU 16 -2.168 -6.109 7.646 136 H SER 17 HN SER 17 -4.610 -2.480 7.026 137 HA SER 17 HA SER 17 -4.675 -0.343 8.981 138 HB2 SER 17 HB2 SER 17 -5.031 -0.188 5.985 139 HB3 SER 17 HB1 SER 17 -4.658 1.142 7.083 140 HG SER 17 HG SER 17 -3.026 -1.069 6.382 141 H ALA 18 HN ALA 18 -6.902 -2.540 7.956 142 HA ALA 18 HA ALA 18 -9.122 -0.648 8.385 143 HB1 ALA 18 HB1 ALA 18 -10.470 -1.781 6.698 144 HB2 ALA 18 HB2 ALA 18 -9.133 -2.874 6.347 145 HB3 ALA 18 HB3 ALA 18 -8.983 -1.156 5.985 146 H GLY 19 HN GLY 19 -8.091 -4.021 8.447 147 HA2 GLY 19 HA2 GLY 19 -8.475 -5.519 10.165 148 HA3 GLY 19 HA1 GLY 19 -9.778 -4.487 10.761 149 H GLU 20 HN GLU 20 -11.039 -6.472 10.838 150 HA GLU 20 HA GLU 20 -11.828 -7.513 8.256 151 HB2 GLU 20 HB2 GLU 20 -13.169 -9.143 9.511 152 HB3 GLU 20 HB1 GLU 20 -11.517 -9.134 10.097 153 HG2 GLU 20 HG2 GLU 20 -13.765 -7.657 11.461 154 HG3 GLU 20 HG1 GLU 20 -13.332 -9.317 11.838 155 H THR 21 HN THR 21 -12.603 -5.216 10.354 156 HA THR 21 HA THR 21 -15.436 -5.015 9.956 157 HB THR 21 HB THR 21 -13.577 -2.946 11.153 158 HG1 THR 21 HG1 THR 21 -14.825 -5.278 12.180 159 HG21 THR 21 HG21 THR 21 -15.872 -2.167 10.670 160 HG22 THR 21 HG22 THR 21 -15.591 -2.287 12.409 161 HG23 THR 21 HG23 THR 21 -16.520 -3.533 11.578 162 H ASP 22 HN ASP 22 -15.008 -5.073 7.592 163 HA ASP 22 HA ASP 22 -15.846 -2.620 6.506 164 HB2 ASP 22 HB2 ASP 22 -13.392 -2.110 6.485 165 HB3 ASP 22 HB1 ASP 22 -13.133 -3.544 5.491 166 H GLY 23 HN GLY 23 -14.026 -5.469 5.475 167 HA2 GLY 23 HA2 GLY 23 -15.259 -7.384 4.619 168 HA3 GLY 23 HA1 GLY 23 -16.415 -6.252 3.928 169 H THR 24 HN THR 24 -13.049 -5.509 3.726 170 HA THR 24 HA THR 24 -13.139 -6.211 0.885 171 HB THR 24 HB THR 24 -11.681 -3.895 2.191 172 HG1 THR 24 HG1 THR 24 -13.657 -3.172 2.043 173 HG21 THR 24 HG21 THR 24 -11.959 -4.643 -0.733 174 HG22 THR 24 HG22 THR 24 -10.481 -4.768 0.218 175 HG23 THR 24 HG23 THR 24 -11.187 -3.183 -0.114 176 H ASP 25 HN ASP 25 -12.181 -8.275 1.242 177 HA ASP 25 HA ASP 25 -9.371 -8.197 2.051 178 HB2 ASP 25 HB2 ASP 25 -10.900 -10.210 2.613 179 HB3 ASP 25 HB1 ASP 25 -10.870 -10.575 0.889 180 H LEU 26 HN LEU 26 -7.770 -8.474 0.466 181 HA LEU 26 HA LEU 26 -8.726 -7.444 -2.069 182 HB2 LEU 26 HB2 LEU 26 -5.917 -7.643 -0.978 183 HB3 LEU 26 HB1 LEU 26 -6.297 -7.014 -2.561 184 HG LEU 26 HG LEU 26 -5.882 -5.164 -1.164 185 HD11 LEU 26 HD11 LEU 26 -7.967 -3.910 -1.196 186 HD12 LEU 26 HD12 LEU 26 -8.845 -5.409 -1.513 187 HD13 LEU 26 HD13 LEU 26 -7.675 -4.807 -2.686 188 HD21 LEU 26 HD21 LEU 26 -7.895 -6.261 0.809 189 HD22 LEU 26 HD22 LEU 26 -7.098 -4.694 0.936 190 HD23 LEU 26 HD23 LEU 26 -6.149 -6.176 1.039 191 H SER 27 HN SER 27 -9.626 -9.757 -2.177 192 HA SER 27 HA SER 27 -7.823 -11.770 -3.094 193 HB2 SER 27 HB2 SER 27 -10.045 -12.977 -3.375 194 HB3 SER 27 HB1 SER 27 -9.596 -12.492 -1.738 195 HG SER 27 HG SER 27 -11.784 -11.909 -3.011 196 H GLY 28 HN GLY 28 -8.059 -12.827 -5.141 197 HA2 GLY 28 HA2 GLY 28 -8.366 -12.928 -7.412 198 HA3 GLY 28 HA1 GLY 28 -9.473 -11.557 -7.294 199 H ASP 29 HN ASP 29 -8.800 -9.699 -8.034 200 HA ASP 29 HA ASP 29 -5.922 -9.155 -8.005 201 HB2 ASP 29 HB2 ASP 29 -6.671 -9.743 -10.335 202 HB3 ASP 29 HB1 ASP 29 -7.755 -8.354 -10.271 203 H PHE 30 HN PHE 30 -5.531 -7.331 -7.014 204 HA PHE 30 HA PHE 30 -7.797 -5.506 -6.716 205 HB2 PHE 30 HB2 PHE 30 -6.909 -4.835 -4.558 206 HB3 PHE 30 HB1 PHE 30 -7.181 -6.569 -4.610 207 HD1 PHE 30 HD2 PHE 30 -5.193 -8.082 -4.917 208 HD2 PHE 30 HD1 PHE 30 -4.797 -3.945 -4.026 209 HE1 PHE 30 HE2 PHE 30 -2.892 -8.468 -4.194 210 HE2 PHE 30 HE1 PHE 30 -2.479 -4.320 -3.298 211 HZ PHE 30 HZ PHE 30 -1.551 -6.543 -3.269 212 H LEU 31 HN LEU 31 -5.105 -5.730 -8.501 213 HA LEU 31 HA LEU 31 -3.910 -3.187 -7.805 214 HB2 LEU 31 HB2 LEU 31 -3.328 -5.029 -10.134 215 HB3 LEU 31 HB1 LEU 31 -2.425 -3.586 -9.744 216 HG LEU 31 HG LEU 31 -1.126 -5.387 -9.074 217 HD11 LEU 31 HD11 LEU 31 -0.890 -5.160 -6.658 218 HD12 LEU 31 HD12 LEU 31 -2.434 -4.309 -6.605 219 HD13 LEU 31 HD13 LEU 31 -1.071 -3.612 -7.483 220 HD21 LEU 31 HD21 LEU 31 -1.873 -7.192 -7.581 221 HD22 LEU 31 HD22 LEU 31 -2.764 -7.130 -9.108 222 HD23 LEU 31 HD23 LEU 31 -3.510 -6.519 -7.633 223 H ASP 32 HN ASP 32 -6.201 -4.477 -9.961 224 HA ASP 32 HA ASP 32 -6.164 -2.283 -11.819 225 HB2 ASP 32 HB2 ASP 32 -6.718 -4.555 -12.552 226 HB3 ASP 32 HB1 ASP 32 -8.123 -4.569 -11.497 227 H LEU 33 HN LEU 33 -7.526 -2.614 -8.733 228 HA LEU 33 HA LEU 33 -9.723 -0.871 -9.495 229 HB2 LEU 33 HB2 LEU 33 -10.803 -1.497 -7.321 230 HB3 LEU 33 HB1 LEU 33 -10.666 -2.776 -8.498 231 HG LEU 33 HG LEU 33 -8.640 -3.583 -7.157 232 HD11 LEU 33 HD11 LEU 33 -8.562 -2.975 -4.800 233 HD12 LEU 33 HD12 LEU 33 -9.799 -1.747 -5.073 234 HD13 LEU 33 HD13 LEU 33 -8.220 -1.594 -5.843 235 HD21 LEU 33 HD21 LEU 33 -10.049 -4.758 -5.540 236 HD22 LEU 33 HD22 LEU 33 -10.771 -4.731 -7.148 237 HD23 LEU 33 HD23 LEU 33 -11.374 -3.648 -5.892 238 H ARG 34 HN ARG 34 -10.226 0.943 -8.419 239 HA ARG 34 HA ARG 34 -8.011 2.413 -7.288 240 HB2 ARG 34 HB2 ARG 34 -10.914 3.092 -7.754 241 HB3 ARG 34 HB1 ARG 34 -9.783 4.205 -7.014 242 HG2 ARG 34 HG2 ARG 34 -9.395 3.033 -9.754 243 HG3 ARG 34 HG1 ARG 34 -10.238 4.555 -9.453 244 HD2 ARG 34 HD2 ARG 34 -8.216 5.425 -8.351 245 HD3 ARG 34 HD1 ARG 34 -7.384 3.920 -8.716 246 HE ARG 34 HE ARG 34 -7.572 4.464 -11.057 247 HH11 ARG 34 HH11 ARG 34 -8.441 7.166 -8.895 248 HH12 ARG 34 HH12 ARG 34 -7.839 8.370 -9.912 249 HH21 ARG 34 HH21 ARG 34 -6.780 6.141 -12.494 250 HH22 ARG 34 HH22 ARG 34 -6.899 7.776 -12.054 251 H PHE 35 HN PHE 35 -7.987 3.342 -5.170 252 HA PHE 35 HA PHE 35 -9.170 1.728 -3.131 253 HB2 PHE 35 HB2 PHE 35 -7.715 4.379 -2.940 254 HB3 PHE 35 HB1 PHE 35 -8.183 3.386 -1.561 255 HD1 PHE 35 HD2 PHE 35 -7.296 0.964 -1.559 256 HD2 PHE 35 HD1 PHE 35 -5.634 4.103 -3.886 257 HE1 PHE 35 HE2 PHE 35 -5.185 -0.283 -1.718 258 HE2 PHE 35 HE1 PHE 35 -3.521 2.867 -4.057 259 HZ PHE 35 HZ PHE 35 -3.290 0.672 -2.973 260 H GLU 36 HN GLU 36 -9.859 4.646 -4.776 261 HA GLU 36 HA GLU 36 -11.956 5.825 -3.410 262 HB2 GLU 36 HB2 GLU 36 -11.745 5.267 -6.373 263 HB3 GLU 36 HB1 GLU 36 -12.795 6.460 -5.634 264 HG2 GLU 36 HG2 GLU 36 -10.949 7.805 -5.002 265 HG3 GLU 36 HG1 GLU 36 -9.803 6.527 -5.417 266 H ASP 37 HN ASP 37 -11.866 2.938 -5.396 267 HA ASP 37 HA ASP 37 -14.689 2.531 -5.508 268 HB2 ASP 37 HB2 ASP 37 -13.267 1.761 -7.321 269 HB3 ASP 37 HB1 ASP 37 -12.397 0.697 -6.222 270 H ILE 38 HN ILE 38 -12.039 1.143 -3.633 271 HA ILE 38 HA ILE 38 -13.921 -0.580 -2.262 272 HB ILE 38 HB ILE 38 -11.970 -1.474 -1.001 273 HG12 ILE 38 HG12 ILE 38 -10.384 0.386 -2.803 274 HG13 ILE 38 HG11 ILE 38 -10.506 0.486 -1.050 275 HG21 ILE 38 HG21 ILE 38 -12.757 -2.544 -2.998 276 HG22 ILE 38 HG22 ILE 38 -10.990 -2.641 -2.908 277 HG23 ILE 38 HG23 ILE 38 -11.766 -1.467 -3.988 278 HD11 ILE 38 HD11 ILE 38 -8.373 -0.470 -1.725 279 HD12 ILE 38 HD12 ILE 38 -9.205 -1.738 -2.613 280 HD13 ILE 38 HD13 ILE 38 -9.335 -1.669 -0.856 281 H GLY 39 HN GLY 39 -13.774 2.354 -1.978 282 HA2 GLY 39 HA2 GLY 39 -14.225 3.968 -0.357 283 HA3 GLY 39 HA1 GLY 39 -14.837 2.625 0.594 284 H TYR 40 HN TYR 40 -11.555 3.371 -0.496 285 HA TYR 40 HA TYR 40 -10.692 3.070 2.294 286 HB2 TYR 40 HB2 TYR 40 -9.937 1.667 0.092 287 HB3 TYR 40 HB1 TYR 40 -8.723 2.941 0.105 288 HD1 TYR 40 HD1 TYR 40 -7.142 3.125 1.896 289 HD2 TYR 40 HD2 TYR 40 -10.015 0.004 1.844 290 HE1 TYR 40 HE1 TYR 40 -5.846 1.934 3.586 291 HE2 TYR 40 HE2 TYR 40 -8.726 -1.219 3.538 292 HH TYR 40 HH TYR 40 -6.161 0.217 5.253 293 H ASP 41 HN ASP 41 -9.612 4.722 3.229 294 HA ASP 41 HA ASP 41 -9.458 7.241 1.784 295 HB2 ASP 41 HB2 ASP 41 -9.089 6.537 4.673 296 HB3 ASP 41 HB1 ASP 41 -8.537 8.081 4.053 297 H SER 42 HN SER 42 -7.671 8.512 1.572 298 HA SER 42 HA SER 42 -5.212 7.308 0.981 299 HB2 SER 42 HB2 SER 42 -4.489 9.772 1.021 300 HB3 SER 42 HB1 SER 42 -5.799 9.339 -0.092 301 H LEU 43 HN LEU 43 -6.543 8.814 3.778 302 HA LEU 43 HA LEU 43 -4.393 9.171 5.514 303 HB2 LEU 43 HB2 LEU 43 -7.123 8.100 6.232 304 HB3 LEU 43 HB1 LEU 43 -6.003 8.895 7.313 305 HG LEU 43 HG LEU 43 -7.382 10.222 4.979 306 HD11 LEU 43 HD11 LEU 43 -8.958 9.581 6.718 307 HD12 LEU 43 HD12 LEU 43 -8.728 11.330 6.688 308 HD13 LEU 43 HD13 LEU 43 -7.948 10.359 7.936 309 HD21 LEU 43 HD21 LEU 43 -6.578 12.289 6.004 310 HD22 LEU 43 HD22 LEU 43 -5.237 11.239 5.547 311 HD23 LEU 43 HD23 LEU 43 -5.733 11.353 7.236 312 H ALA 44 HN ALA 44 -6.375 6.318 4.868 313 HA ALA 44 HA ALA 44 -5.024 4.669 6.756 314 HB1 ALA 44 HB1 ALA 44 -6.457 2.892 5.911 315 HB2 ALA 44 HB2 ALA 44 -6.978 3.929 4.583 316 HB3 ALA 44 HB3 ALA 44 -7.388 4.349 6.245 317 H LEU 45 HN LEU 45 -4.799 5.297 3.328 318 HA LEU 45 HA LEU 45 -3.157 3.134 2.600 319 HB2 LEU 45 HB2 LEU 45 -3.224 5.936 1.486 320 HB3 LEU 45 HB1 LEU 45 -2.424 4.576 0.724 321 HG LEU 45 HG LEU 45 -5.382 4.822 1.213 322 HD11 LEU 45 HD11 LEU 45 -3.763 4.983 -1.326 323 HD12 LEU 45 HD12 LEU 45 -4.580 6.330 -0.532 324 HD13 LEU 45 HD13 LEU 45 -5.522 5.008 -1.219 325 HD21 LEU 45 HD21 LEU 45 -3.768 2.711 -0.197 326 HD22 LEU 45 HD22 LEU 45 -5.529 2.790 -0.127 327 HD23 LEU 45 HD23 LEU 45 -4.599 2.524 1.347 328 H MET 46 HN MET 46 -2.465 6.265 3.952 329 HA MET 46 HA MET 46 0.343 6.149 3.917 330 HB2 MET 46 HB2 MET 46 -1.513 7.528 5.861 331 HB3 MET 46 HB1 MET 46 0.226 7.778 5.809 332 HG2 MET 46 HG2 MET 46 0.073 8.750 3.603 333 HG3 MET 46 HG1 MET 46 -1.624 8.293 3.515 334 HE1 MET 46 HE1 MET 46 0.131 9.745 6.729 335 HE2 MET 46 HE2 MET 46 -0.133 11.476 6.518 336 HE3 MET 46 HE3 MET 46 0.948 10.608 5.427 337 H GLU 47 HN GLU 47 -2.042 4.898 6.165 338 HA GLU 47 HA GLU 47 -0.120 4.025 8.071 339 HB2 GLU 47 HB2 GLU 47 -2.483 4.533 8.659 340 HB3 GLU 47 HB1 GLU 47 -2.989 3.134 7.725 341 HG2 GLU 47 HG2 GLU 47 -1.810 1.655 9.220 342 HG3 GLU 47 HG1 GLU 47 -1.166 3.027 10.118 343 H THR 48 HN THR 48 -1.839 2.534 5.374 344 HA THR 48 HA THR 48 -1.012 -0.102 5.548 345 HB THR 48 HB THR 48 -1.259 1.646 3.081 346 HG1 THR 48 HG1 THR 48 -3.055 0.744 4.841 347 HG21 THR 48 HG21 THR 48 -0.073 -0.463 2.592 348 HG22 THR 48 HG22 THR 48 -1.678 -0.444 1.860 349 HG23 THR 48 HG23 THR 48 -1.393 -1.369 3.333 350 H ALA 49 HN ALA 49 0.593 2.600 3.904 351 HA ALA 49 HA ALA 49 2.961 1.334 3.185 352 HB1 ALA 49 HB1 ALA 49 3.899 3.587 3.044 353 HB2 ALA 49 HB2 ALA 49 2.517 4.225 3.936 354 HB3 ALA 49 HB3 ALA 49 2.286 3.523 2.332 355 H ALA 50 HN ALA 50 2.108 3.135 6.108 356 HA ALA 50 HA ALA 50 4.551 3.069 7.438 357 HB1 ALA 50 HB1 ALA 50 1.795 3.073 8.652 358 HB2 ALA 50 HB2 ALA 50 2.671 4.494 8.082 359 HB3 ALA 50 HB3 ALA 50 3.290 3.566 9.450 360 H ARG 51 HN ARG 51 1.971 0.683 7.362 361 HA ARG 51 HA ARG 51 2.883 -1.055 9.393 362 HB2 ARG 51 HB2 ARG 51 1.475 -1.815 6.815 363 HB3 ARG 51 HB1 ARG 51 1.616 -2.830 8.238 364 HG2 ARG 51 HG2 ARG 51 0.083 -0.250 8.026 365 HG3 ARG 51 HG1 ARG 51 -0.597 -1.876 8.057 366 HD2 ARG 51 HD2 ARG 51 0.310 -2.201 10.303 367 HD3 ARG 51 HD1 ARG 51 0.979 -0.571 10.264 368 HE ARG 51 HE ARG 51 -1.686 -0.269 9.738 369 HH11 ARG 51 HH11 ARG 51 0.292 -1.450 12.414 370 HH12 ARG 51 HH12 ARG 51 -0.901 -1.225 13.612 371 HH21 ARG 51 HH21 ARG 51 -3.300 0.209 11.389 372 HH22 ARG 51 HH22 ARG 51 -3.000 -0.234 13.007 373 H LEU 52 HN LEU 52 3.310 -1.204 5.930 374 HA LEU 52 HA LEU 52 5.198 -3.286 6.005 375 HB2 LEU 52 HB2 LEU 52 4.541 -1.355 3.804 376 HB3 LEU 52 HB1 LEU 52 5.633 -2.718 3.610 377 HG LEU 52 HG LEU 52 2.730 -2.934 4.403 378 HD11 LEU 52 HD11 LEU 52 4.070 -3.499 1.775 379 HD12 LEU 52 HD12 LEU 52 2.917 -2.203 2.121 380 HD13 LEU 52 HD13 LEU 52 2.399 -3.884 2.184 381 HD21 LEU 52 HD21 LEU 52 3.040 -5.331 4.015 382 HD22 LEU 52 HD22 LEU 52 4.081 -4.744 5.311 383 HD23 LEU 52 HD23 LEU 52 4.756 -5.058 3.710 384 H GLU 53 HN GLU 53 5.675 0.163 6.291 385 HA GLU 53 HA GLU 53 8.373 0.354 5.677 386 HB2 GLU 53 HB2 GLU 53 6.882 1.794 7.860 387 HB3 GLU 53 HB1 GLU 53 8.525 2.174 7.385 388 HG2 GLU 53 HG2 GLU 53 7.622 2.625 5.087 389 HG3 GLU 53 HG1 GLU 53 6.011 2.498 5.800 390 H SER 54 HN SER 54 6.991 -0.165 8.895 391 HA SER 54 HA SER 54 9.396 -0.654 10.229 392 HB2 SER 54 HB2 SER 54 6.627 -1.635 10.926 393 HB3 SER 54 HB1 SER 54 7.980 -1.388 12.036 394 HG SER 54 HG SER 54 7.910 0.858 11.169 395 H ARG 55 HN ARG 55 7.460 -2.637 8.242 396 HA ARG 55 HA ARG 55 8.371 -5.116 9.367 397 HB2 ARG 55 HB2 ARG 55 6.099 -4.956 8.574 398 HB3 ARG 55 HB1 ARG 55 6.650 -4.525 6.969 399 HG2 ARG 55 HG2 ARG 55 7.466 -6.714 6.573 400 HG3 ARG 55 HG1 ARG 55 7.263 -7.168 8.268 401 HD2 ARG 55 HD2 ARG 55 5.008 -6.371 6.430 402 HD3 ARG 55 HD1 ARG 55 5.469 -8.038 6.778 403 HE ARG 55 HE ARG 55 5.095 -7.288 9.197 404 HH11 ARG 55 HH11 ARG 55 3.069 -6.319 6.429 405 HH12 ARG 55 HH12 ARG 55 1.686 -6.042 7.410 406 HH21 ARG 55 HH21 ARG 55 3.124 -6.906 10.490 407 HH22 ARG 55 HH22 ARG 55 1.694 -6.464 9.679 408 H TYR 56 HN TYR 56 9.141 -3.189 6.489 409 HA TYR 56 HA TYR 56 11.179 -5.209 5.887 410 HB2 TYR 56 HB2 TYR 56 9.678 -3.427 3.976 411 HB3 TYR 56 HB1 TYR 56 11.107 -4.355 3.510 412 HD1 TYR 56 HD2 TYR 56 11.057 -6.857 4.115 413 HD2 TYR 56 HD1 TYR 56 7.574 -4.452 3.785 414 HE1 TYR 56 HE2 TYR 56 9.712 -8.873 3.854 415 HE2 TYR 56 HE1 TYR 56 6.194 -6.485 3.529 416 HH TYR 56 HH TYR 56 6.550 -8.983 2.806 417 H GLY 57 HN GLY 57 11.057 -2.435 7.378 418 HA2 GLY 57 HA2 GLY 57 12.689 -0.988 8.038 419 HA3 GLY 57 HA1 GLY 57 13.843 -2.018 7.202 420 H VAL 58 HN VAL 58 11.108 -0.140 6.038 421 HA VAL 58 HA VAL 58 12.985 1.173 4.213 422 HB VAL 58 HB VAL 58 11.177 1.423 2.536 423 HG11 VAL 58 HG11 VAL 58 11.649 -1.416 3.408 424 HG12 VAL 58 HG12 VAL 58 12.693 -0.453 2.363 425 HG13 VAL 58 HG13 VAL 58 11.079 -0.909 1.818 426 HG21 VAL 58 HG21 VAL 58 9.255 1.354 4.047 427 HG22 VAL 58 HG22 VAL 58 9.571 -0.362 4.357 428 HG23 VAL 58 HG23 VAL 58 9.101 0.175 2.746 429 H SER 59 HN SER 59 11.890 3.279 3.231 430 HA SER 59 HA SER 59 10.542 4.694 5.376 431 HB2 SER 59 HB2 SER 59 12.858 5.745 3.727 432 HB3 SER 59 HB1 SER 59 11.962 6.643 4.955 433 HG SER 59 HG SER 59 12.893 4.255 5.847 434 H ILE 60 HN ILE 60 8.667 5.037 4.542 435 HA ILE 60 HA ILE 60 8.438 5.678 1.706 436 HB ILE 60 HB ILE 60 6.411 4.584 3.667 437 HG12 ILE 60 HG12 ILE 60 7.669 3.321 1.220 438 HG13 ILE 60 HG11 ILE 60 8.136 2.980 2.881 439 HG21 ILE 60 HG21 ILE 60 5.319 6.091 2.104 440 HG22 ILE 60 HG22 ILE 60 4.898 4.422 1.719 441 HG23 ILE 60 HG23 ILE 60 6.086 5.279 0.745 442 HD11 ILE 60 HD11 ILE 60 6.703 1.242 1.982 443 HD12 ILE 60 HD12 ILE 60 5.445 2.433 1.654 444 HD13 ILE 60 HD13 ILE 60 5.913 2.079 3.317 445 HA PRO 61 HA PRO 61 7.525 9.782 3.213 446 HB2 PRO 61 HB2 PRO 61 6.771 10.220 0.390 447 HB3 PRO 61 HB1 PRO 61 7.965 11.064 1.370 448 HG2 PRO 61 HG2 PRO 61 8.690 9.382 -0.590 449 HG3 PRO 61 HG1 PRO 61 9.634 9.551 0.901 450 HD2 PRO 61 HD2 PRO 61 7.725 7.403 0.096 451 HD3 PRO 61 HD1 PRO 61 9.264 7.276 0.975 452 H ASP 62 HN ASP 62 5.714 10.128 4.174 453 HA ASP 62 HA ASP 62 3.418 8.620 3.888 454 HB2 ASP 62 HB2 ASP 62 2.418 10.149 5.536 455 HB3 ASP 62 HB1 ASP 62 4.034 9.639 5.990 456 H ASP 63 HN ASP 63 4.167 11.747 2.515 457 HA ASP 63 HA ASP 63 1.588 12.547 1.744 458 HB2 ASP 63 HB2 ASP 63 3.516 14.043 1.713 459 HB3 ASP 63 HB1 ASP 63 4.229 13.118 0.398 460 H VAL 64 HN VAL 64 3.825 10.317 0.250 461 HA VAL 64 HA VAL 64 2.719 10.292 -2.374 462 HB VAL 64 HB VAL 64 4.059 8.020 -0.995 463 HG11 VAL 64 HG11 VAL 64 4.858 7.508 -3.363 464 HG12 VAL 64 HG12 VAL 64 3.882 8.875 -3.918 465 HG13 VAL 64 HG13 VAL 64 3.100 7.474 -3.196 466 HG21 VAL 64 HG21 VAL 64 5.393 10.020 -0.717 467 HG22 VAL 64 HG22 VAL 64 5.399 10.289 -2.463 468 HG23 VAL 64 HG23 VAL 64 6.214 8.876 -1.780 469 H ALA 65 HN ALA 65 2.039 8.558 0.570 470 HA ALA 65 HA ALA 65 0.422 6.574 -0.671 471 HB1 ALA 65 HB1 ALA 65 -0.175 5.922 1.599 472 HB2 ALA 65 HB2 ALA 65 0.575 7.393 2.221 473 HB3 ALA 65 HB3 ALA 65 1.564 6.160 1.442 474 H GLY 66 HN GLY 66 -0.080 9.815 0.198 475 HA2 GLY 66 HA2 GLY 66 -2.973 9.519 0.210 476 HA3 GLY 66 HA1 GLY 66 -2.067 11.013 0.453 477 H ARG 67 HN ARG 67 -0.700 9.419 -2.055 478 HA ARG 67 HA ARG 67 -2.274 10.889 -4.049 479 HB2 ARG 67 HB2 ARG 67 0.678 10.347 -3.908 480 HB3 ARG 67 HB1 ARG 67 -0.110 10.831 -5.397 481 HG2 ARG 67 HG2 ARG 67 -0.865 12.896 -4.290 482 HG3 ARG 67 HG1 ARG 67 0.007 12.402 -2.834 483 HD2 ARG 67 HD2 ARG 67 1.437 12.479 -5.436 484 HD3 ARG 67 HD1 ARG 67 1.131 14.006 -4.596 485 HE ARG 67 HE ARG 67 2.437 13.125 -2.765 486 HH11 ARG 67 HH11 ARG 67 2.704 11.113 -5.702 487 HH12 ARG 67 HH12 ARG 67 4.360 10.854 -5.549 488 HH21 ARG 67 HH21 ARG 67 4.788 12.760 -2.570 489 HH22 ARG 67 HH22 ARG 67 5.560 11.766 -3.729 490 H VAL 68 HN VAL 68 -0.842 7.825 -3.218 491 HA VAL 68 HA VAL 68 -0.864 6.611 -5.744 492 HB VAL 68 HB VAL 68 -0.800 4.424 -4.505 493 HG11 VAL 68 HG11 VAL 68 1.052 6.549 -3.443 494 HG12 VAL 68 HG12 VAL 68 1.246 5.672 -4.956 495 HG13 VAL 68 HG13 VAL 68 1.352 4.812 -3.420 496 HG21 VAL 68 HG21 VAL 68 -0.638 4.438 -2.053 497 HG22 VAL 68 HG22 VAL 68 -2.217 5.009 -2.588 498 HG23 VAL 68 HG23 VAL 68 -1.002 6.164 -2.039 499 H ASP 69 HN ASP 69 -2.521 6.536 -6.991 500 HA ASP 69 HA ASP 69 -5.245 6.365 -6.016 501 HB2 ASP 69 HB2 ASP 69 -4.224 6.321 -8.858 502 HB3 ASP 69 HB1 ASP 69 -5.921 6.358 -8.407 503 H THR 70 HN THR 70 -3.080 4.255 -7.752 504 HA THR 70 HA THR 70 -5.009 2.078 -7.364 505 HB THR 70 HB THR 70 -3.667 0.900 -9.168 506 HG1 THR 70 HG1 THR 70 -2.683 3.527 -9.686 507 HG21 THR 70 HG21 THR 70 -4.747 2.100 -11.029 508 HG22 THR 70 HG22 THR 70 -5.070 3.467 -9.956 509 HG23 THR 70 HG23 THR 70 -5.843 1.908 -9.664 510 HA PRO 71 HA PRO 71 -2.211 0.101 -4.544 511 HB2 PRO 71 HB2 PRO 71 -3.003 -2.422 -5.913 512 HB3 PRO 71 HB1 PRO 71 -3.080 -2.006 -4.195 513 HG2 PRO 71 HG2 PRO 71 -5.298 -2.053 -5.600 514 HG3 PRO 71 HG1 PRO 71 -5.008 -0.718 -4.466 515 HD2 PRO 71 HD2 PRO 71 -4.659 -0.771 -7.445 516 HD3 PRO 71 HD1 PRO 71 -5.447 0.457 -6.432 517 H ARG 72 HN ARG 72 -2.090 -0.600 -7.960 518 HA ARG 72 HA ARG 72 0.415 -1.917 -8.023 519 HB2 ARG 72 HB2 ARG 72 -1.164 -1.899 -9.927 520 HB3 ARG 72 HB1 ARG 72 -0.883 -0.178 -10.135 521 HG2 ARG 72 HG2 ARG 72 1.453 -0.626 -10.694 522 HG3 ARG 72 HG1 ARG 72 1.174 -2.355 -10.480 523 HD2 ARG 72 HD2 ARG 72 -0.209 -0.575 -12.482 524 HD3 ARG 72 HD1 ARG 72 1.082 -1.720 -12.840 525 HE ARG 72 HE ARG 72 -0.476 -3.446 -11.954 526 HH11 ARG 72 HH11 ARG 72 -1.677 -0.465 -13.505 527 HH12 ARG 72 HH12 ARG 72 -3.140 -1.140 -14.034 528 HH21 ARG 72 HH21 ARG 72 -2.519 -4.394 -12.704 529 HH22 ARG 72 HH22 ARG 72 -3.649 -3.453 -13.562 530 H GLU 73 HN GLU 73 -0.550 1.433 -7.960 531 HA GLU 73 HA GLU 73 2.070 2.480 -8.425 532 HB2 GLU 73 HB2 GLU 73 0.042 3.674 -9.102 533 HB3 GLU 73 HB1 GLU 73 -0.474 3.760 -7.432 534 HG2 GLU 73 HG2 GLU 73 1.300 5.259 -6.898 535 HG3 GLU 73 HG1 GLU 73 2.018 5.040 -8.494 536 H LEU 74 HN LEU 74 0.057 1.715 -5.678 537 HA LEU 74 HA LEU 74 1.715 2.873 -3.671 538 HB2 LEU 74 HB2 LEU 74 -0.756 1.895 -3.584 539 HB3 LEU 74 HB1 LEU 74 0.055 0.398 -3.198 540 HG LEU 74 HG LEU 74 0.150 2.943 -1.563 541 HD11 LEU 74 HD11 LEU 74 -2.008 1.885 -1.468 542 HD12 LEU 74 HD12 LEU 74 -1.165 1.697 0.069 543 HD13 LEU 74 HD13 LEU 74 -1.262 0.342 -1.059 544 HD21 LEU 74 HD21 LEU 74 1.246 1.608 0.166 545 HD22 LEU 74 HD22 LEU 74 2.221 1.662 -1.304 546 HD23 LEU 74 HD23 LEU 74 1.280 0.219 -0.921 547 H LEU 75 HN LEU 75 1.483 -0.312 -5.175 548 HA LEU 75 HA LEU 75 3.509 -1.717 -3.890 549 HB2 LEU 75 HB2 LEU 75 1.862 -2.649 -5.499 550 HB3 LEU 75 HB1 LEU 75 2.672 -1.807 -6.798 551 HG LEU 75 HG LEU 75 4.698 -3.212 -6.329 552 HD11 LEU 75 HD11 LEU 75 4.193 -3.831 -4.038 553 HD12 LEU 75 HD12 LEU 75 4.385 -5.264 -5.047 554 HD13 LEU 75 HD13 LEU 75 2.772 -4.725 -4.580 555 HD21 LEU 75 HD21 LEU 75 3.791 -5.200 -7.429 556 HD22 LEU 75 HD22 LEU 75 3.178 -3.718 -8.159 557 HD23 LEU 75 HD23 LEU 75 2.154 -4.654 -7.068 558 H ASP 76 HN ASP 76 3.619 0.197 -6.873 559 HA ASP 76 HA ASP 76 6.285 0.177 -7.544 560 HB2 ASP 76 HB2 ASP 76 4.664 1.203 -8.982 561 HB3 ASP 76 HB1 ASP 76 4.255 2.399 -7.759 562 H LEU 77 HN LEU 77 4.689 2.363 -5.306 563 HA LEU 77 HA LEU 77 6.845 3.977 -4.596 564 HB2 LEU 77 HB2 LEU 77 4.698 4.671 -3.967 565 HB3 LEU 77 HB1 LEU 77 4.328 3.148 -3.197 566 HG LEU 77 HG LEU 77 5.853 3.709 -1.356 567 HD11 LEU 77 HD11 LEU 77 6.179 6.390 -2.719 568 HD12 LEU 77 HD12 LEU 77 7.426 5.154 -2.519 569 HD13 LEU 77 HD13 LEU 77 6.758 5.954 -1.107 570 HD21 LEU 77 HD21 LEU 77 4.456 5.445 -0.368 571 HD22 LEU 77 HD22 LEU 77 3.495 4.217 -1.192 572 HD23 LEU 77 HD23 LEU 77 3.761 5.790 -1.951 573 H ILE 78 HN ILE 78 5.675 1.003 -3.064 574 HA ILE 78 HA ILE 78 7.770 1.077 -1.134 575 HB ILE 78 HB ILE 78 5.983 -1.295 -1.781 576 HG12 ILE 78 HG12 ILE 78 5.600 0.959 0.204 577 HG13 ILE 78 HG11 ILE 78 4.698 0.755 -1.293 578 HG21 ILE 78 HG21 ILE 78 6.485 -1.956 0.546 579 HG22 ILE 78 HG22 ILE 78 7.534 -0.547 0.724 580 HG23 ILE 78 HG23 ILE 78 7.968 -1.832 -0.403 581 HD11 ILE 78 HD11 ILE 78 4.682 -1.101 1.060 582 HD12 ILE 78 HD12 ILE 78 3.775 -1.324 -0.439 583 HD13 ILE 78 HD13 ILE 78 3.413 0.043 0.623 584 H ASN 79 HN ASN 79 7.391 -0.333 -4.256 585 HA ASN 79 HA ASN 79 9.616 -2.068 -4.274 586 HB2 ASN 79 HB2 ASN 79 8.422 -0.416 -6.520 587 HB3 ASN 79 HB1 ASN 79 9.745 -1.537 -6.772 588 HD21 ASN 79 HD21 ASN 79 8.664 -3.548 -4.935 589 HD22 ASN 79 HD22 ASN 79 7.333 -4.242 -5.803 590 H GLY 80 HN GLY 80 9.324 1.378 -4.890 591 HA2 GLY 80 HA2 GLY 80 12.070 1.839 -5.482 592 HA3 GLY 80 HA1 GLY 80 10.898 3.059 -5.000 593 H ALA 81 HN ALA 81 10.134 2.111 -2.568 594 HA ALA 81 HA ALA 81 12.124 3.059 -0.845 595 HB1 ALA 81 HB1 ALA 81 9.744 1.337 -0.151 596 HB2 ALA 81 HB2 ALA 81 9.734 3.094 -0.293 597 HB3 ALA 81 HB3 ALA 81 10.678 2.318 0.978 598 H LEU 82 HN LEU 82 11.222 -0.255 -1.687 599 HA LEU 82 HA LEU 82 12.972 -1.554 0.097 600 HB2 LEU 82 HB2 LEU 82 11.801 -2.451 -2.520 601 HB3 LEU 82 HB1 LEU 82 12.763 -3.494 -1.494 602 HG LEU 82 HG LEU 82 10.189 -2.187 -0.619 603 HD11 LEU 82 HD11 LEU 82 9.804 -3.769 -2.422 604 HD12 LEU 82 HD12 LEU 82 9.215 -4.391 -0.878 605 HD13 LEU 82 HD13 LEU 82 10.730 -4.991 -1.554 606 HD21 LEU 82 HD21 LEU 82 11.847 -4.388 0.576 607 HD22 LEU 82 HD22 LEU 82 10.311 -3.777 1.201 608 HD23 LEU 82 HD23 LEU 82 11.739 -2.732 1.176 609 H ALA 83 HN ALA 83 13.409 -0.433 -3.203 610 HA ALA 83 HA ALA 83 15.995 -1.488 -3.584 611 HB1 ALA 83 HB1 ALA 83 14.620 -0.635 -5.432 612 HB2 ALA 83 HB2 ALA 83 16.195 0.157 -5.393 613 HB3 ALA 83 HB3 ALA 83 14.768 0.999 -4.787 614 H GLU 84 HN GLU 84 14.803 1.450 -2.175 615 HA GLU 84 HA GLU 84 17.250 2.806 -1.741 616 HB2 GLU 84 HB2 GLU 84 14.970 3.812 -1.695 617 HB3 GLU 84 HB1 GLU 84 14.659 2.969 -0.190 618 HG2 GLU 84 HG2 GLU 84 15.186 5.192 0.363 619 HG3 GLU 84 HG1 GLU 84 16.600 4.223 0.783 620 H ALA 85 HN ALA 85 15.359 0.494 0.115 621 HA ALA 85 HA ALA 85 16.947 0.769 2.490 622 HB1 ALA 85 HB1 ALA 85 14.543 0.381 2.642 623 HB2 ALA 85 HB2 ALA 85 15.462 -0.895 3.443 624 HB3 ALA 85 HB3 ALA 85 14.745 -1.182 1.858 625 H ALA 86 HN ALA 86 18.947 0.086 2.113 626 HA ALA 86 HA ALA 86 19.245 -2.747 1.447 627 HB1 ALA 86 HB1 ALA 86 21.242 -0.493 1.139 628 HB2 ALA 86 HB2 ALA 86 20.360 -1.279 -0.171 629 HB3 ALA 86 HB3 ALA 86 21.546 -2.189 0.765 630 H28 SXV 87 H28A SXV 87 -5.690 13.195 3.326 631 H28A SXV 87 H28B SXV 87 -4.925 11.615 3.310 632 H30 SXV 87 H30C SXV 87 -4.168 13.670 5.205 633 H30A SXV 87 H30A SXV 87 -2.418 13.589 4.989 634 H30B SXV 87 H30B SXV 87 -3.377 12.109 4.986 635 H31 SXV 87 H31C SXV 87 -1.469 12.977 2.719 636 H31A SXV 87 H31A SXV 87 -2.582 12.517 1.430 637 H31B SXV 87 H31B SXV 87 -2.397 11.483 2.849 638 H32 SXV 87 H32A SXV 87 -4.393 15.314 3.072 639 HO33 SXV 87 H33A SXV 87 -2.606 15.278 1.174 640 HN36 SXV 87 H36A SXV 87 -2.868 15.676 5.048 641 H37 SXV 87 H37B SXV 87 -1.235 17.645 5.132 642 H37A SXV 87 H37A SXV 87 -0.162 16.517 4.294 643 H38 SXV 87 H38B SXV 87 0.432 16.473 6.570 644 H38A SXV 87 H38A SXV 87 -0.332 14.951 6.203 645 HN41 SXV 87 H41A SXV 87 -0.405 14.942 8.564 646 H42 SXV 87 H42B SXV 87 -2.860 15.039 9.652 647 H42A SXV 87 H42A SXV 87 -2.181 16.592 10.097 648 H43 SXV 87 H43B SXV 87 -0.798 13.957 10.490 649 H43A SXV 87 H43A SXV 87 -0.369 15.455 11.275 650 H1 SXV 87 H1B SXV 87 -4.136 12.907 12.191 651 H1A SXV 87 H1A SXV 87 -3.944 13.827 10.689 652 H2 SXV 87 H2A SXV 87 -2.215 11.500 11.446 653 H2A SXV 87 H2B SXV 87 -2.093 12.491 10.001 654 H4 SXV 87 H4C SXV 87 -2.745 9.346 9.992 655 H4A SXV 87 H4A SXV 87 -4.485 9.226 9.704 656 H4B SXV 87 H4B SXV 87 -3.878 9.536 11.337 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 21.108 -5.287 -3.339 2 H2 MET 1 HT2 MET 1 20.252 -6.380 -4.239 3 H3 MET 1 HT3 MET 1 21.822 -6.785 -3.710 4 HA MET 1 HA MET 1 20.159 -7.898 -2.378 5 HB2 MET 1 HB2 MET 1 21.602 -5.621 -0.999 6 HB3 MET 1 HB1 MET 1 20.716 -6.853 -0.124 7 HG2 MET 1 HG2 MET 1 23.095 -7.311 -0.120 8 HG3 MET 1 HG1 MET 1 22.215 -8.565 -0.982 9 HE1 MET 1 HE1 MET 1 24.558 -9.429 -1.917 10 HE2 MET 1 HE2 MET 1 25.384 -8.126 -1.065 11 HE3 MET 1 HE3 MET 1 25.709 -8.405 -2.776 12 H ALA 2 HN ALA 2 18.047 -7.875 -2.189 13 HA ALA 2 HA ALA 2 16.709 -5.466 -1.284 14 HB1 ALA 2 HB1 ALA 2 16.034 -6.808 -3.906 15 HB2 ALA 2 HB2 ALA 2 16.777 -5.220 -3.723 16 HB3 ALA 2 HB3 ALA 2 15.130 -5.492 -3.156 17 H THR 3 HN THR 3 14.213 -6.117 -1.451 18 HA THR 3 HA THR 3 13.645 -8.874 -1.087 19 HB THR 3 HB THR 3 14.375 -8.369 1.183 20 HG1 THR 3 HG1 THR 3 11.539 -8.440 1.056 21 HG21 THR 3 HG21 THR 3 13.347 -6.607 2.598 22 HG22 THR 3 HG22 THR 3 12.448 -6.027 1.196 23 HG23 THR 3 HG23 THR 3 14.207 -5.925 1.216 24 H LEU 4 HN LEU 4 11.952 -8.953 -2.480 25 HA LEU 4 HA LEU 4 10.409 -6.492 -2.728 26 HB2 LEU 4 HB2 LEU 4 10.787 -8.713 -4.715 27 HB3 LEU 4 HB1 LEU 4 9.726 -7.340 -4.952 28 HG LEU 4 HG LEU 4 12.731 -7.224 -4.660 29 HD11 LEU 4 HD11 LEU 4 10.944 -6.786 -7.039 30 HD12 LEU 4 HD12 LEU 4 12.026 -8.156 -6.783 31 HD13 LEU 4 HD13 LEU 4 12.688 -6.537 -6.999 32 HD21 LEU 4 HD21 LEU 4 10.736 -5.023 -5.207 33 HD22 LEU 4 HD22 LEU 4 12.490 -4.853 -5.228 34 HD23 LEU 4 HD23 LEU 4 11.659 -5.239 -3.721 35 H LEU 5 HN LEU 5 8.488 -6.399 -2.012 36 HA LEU 5 HA LEU 5 7.108 -8.811 -1.371 37 HB2 LEU 5 HB2 LEU 5 5.360 -7.345 -0.383 38 HB3 LEU 5 HB1 LEU 5 6.942 -7.090 0.296 39 HG LEU 5 HG LEU 5 7.064 -4.990 -1.177 40 HD11 LEU 5 HD11 LEU 5 4.949 -3.995 -1.836 41 HD12 LEU 5 HD12 LEU 5 4.100 -5.468 -1.368 42 HD13 LEU 5 HD13 LEU 5 5.246 -5.498 -2.708 43 HD21 LEU 5 HD21 LEU 5 5.768 -3.678 0.412 44 HD22 LEU 5 HD22 LEU 5 6.729 -4.921 1.215 45 HD23 LEU 5 HD23 LEU 5 4.995 -5.153 0.995 46 H THR 6 HN THR 6 5.356 -9.600 -2.330 47 HA THR 6 HA THR 6 4.850 -8.487 -4.948 48 HB THR 6 HB THR 6 3.970 -10.830 -5.494 49 HG1 THR 6 HG1 THR 6 4.804 -11.238 -2.862 50 HG21 THR 6 HG21 THR 6 6.231 -11.725 -5.894 51 HG22 THR 6 HG22 THR 6 6.896 -10.508 -4.804 52 HG23 THR 6 HG23 THR 6 6.122 -10.014 -6.310 53 H THR 7 HN THR 7 2.445 -9.814 -5.554 54 HA THR 7 HA THR 7 0.606 -7.964 -4.804 55 HB THR 7 HB THR 7 -1.021 -9.873 -5.498 56 HG1 THR 7 HG1 THR 7 -0.049 -11.730 -5.851 57 HG21 THR 7 HG21 THR 7 -0.441 -9.470 -7.846 58 HG22 THR 7 HG22 THR 7 1.139 -8.861 -7.356 59 HG23 THR 7 HG23 THR 7 -0.320 -7.974 -6.914 60 H ASP 8 HN ASP 8 0.865 -11.286 -3.361 61 HA ASP 8 HA ASP 8 -1.256 -10.690 -1.546 62 HB2 ASP 8 HB2 ASP 8 -0.900 -13.015 -2.137 63 HB3 ASP 8 HB1 ASP 8 0.727 -12.974 -1.461 64 H ASP 9 HN ASP 9 2.163 -10.309 -1.393 65 HA ASP 9 HA ASP 9 2.413 -9.994 1.419 66 HB2 ASP 9 HB2 ASP 9 4.009 -8.600 -0.747 67 HB3 ASP 9 HB1 ASP 9 4.430 -8.625 0.954 68 H LEU 10 HN LEU 10 1.677 -7.740 -1.178 69 HA LEU 10 HA LEU 10 1.289 -5.487 0.536 70 HB2 LEU 10 HB2 LEU 10 1.828 -5.252 -1.862 71 HB3 LEU 10 HB1 LEU 10 0.290 -5.981 -2.273 72 HG LEU 10 HG LEU 10 -0.866 -4.063 -1.206 73 HD11 LEU 10 HD11 LEU 10 1.909 -2.916 -0.977 74 HD12 LEU 10 HD12 LEU 10 0.855 -3.386 0.358 75 HD13 LEU 10 HD13 LEU 10 0.405 -2.041 -0.688 76 HD21 LEU 10 HD21 LEU 10 -0.372 -2.453 -2.980 77 HD22 LEU 10 HD22 LEU 10 -0.489 -4.098 -3.605 78 HD23 LEU 10 HD23 LEU 10 1.092 -3.350 -3.382 79 H ARG 11 HN ARG 11 -0.770 -7.909 -0.904 80 HA ARG 11 HA ARG 11 -3.316 -7.051 -0.251 81 HB2 ARG 11 HB2 ARG 11 -2.877 -8.971 -1.654 82 HB3 ARG 11 HB1 ARG 11 -2.154 -9.830 -0.311 83 HG2 ARG 11 HG2 ARG 11 -4.364 -9.923 0.772 84 HG3 ARG 11 HG1 ARG 11 -5.060 -9.127 -0.651 85 HD2 ARG 11 HD2 ARG 11 -4.267 -10.932 -2.070 86 HD3 ARG 11 HD1 ARG 11 -3.526 -11.721 -0.682 87 HE ARG 11 HE ARG 11 -6.414 -11.271 -0.776 88 HH11 ARG 11 HH11 ARG 11 -3.654 -13.466 -0.388 89 HH12 ARG 11 HH12 ARG 11 -4.592 -14.874 -0.290 90 HH21 ARG 11 HH21 ARG 11 -7.733 -13.240 -0.622 91 HH22 ARG 11 HH22 ARG 11 -6.983 -14.737 -0.353 92 H ARG 12 HN ARG 12 -1.106 -9.016 1.732 93 HA ARG 12 HA ARG 12 -2.780 -9.214 4.023 94 HB2 ARG 12 HB2 ARG 12 0.243 -9.153 4.009 95 HB3 ARG 12 HB1 ARG 12 -0.783 -9.806 5.266 96 HG2 ARG 12 HG2 ARG 12 -1.476 -11.602 3.758 97 HG3 ARG 12 HG1 ARG 12 -0.433 -10.928 2.494 98 HD2 ARG 12 HD2 ARG 12 1.462 -11.099 4.134 99 HD3 ARG 12 HD1 ARG 12 0.383 -12.026 5.168 100 HE ARG 12 HE ARG 12 0.512 -13.134 2.562 101 HH11 ARG 12 HH11 ARG 12 2.246 -12.905 5.626 102 HH12 ARG 12 HH12 ARG 12 3.317 -14.190 5.355 103 HH21 ARG 12 HH21 ARG 12 1.997 -14.993 2.141 104 HH22 ARG 12 HH22 ARG 12 3.115 -15.459 3.344 105 H ALA 13 HN ALA 13 -0.223 -7.028 3.073 106 HA ALA 13 HA ALA 13 0.068 -5.518 5.388 107 HB1 ALA 13 HB1 ALA 13 1.684 -5.607 3.569 108 HB2 ALA 13 HB2 ALA 13 1.243 -3.946 3.973 109 HB3 ALA 13 HB3 ALA 13 0.567 -4.715 2.538 110 H LEU 14 HN LEU 14 -2.032 -5.030 2.605 111 HA LEU 14 HA LEU 14 -2.918 -2.453 3.315 112 HB2 LEU 14 HB2 LEU 14 -3.121 -3.573 1.069 113 HB3 LEU 14 HB1 LEU 14 -4.431 -4.528 1.729 114 HG LEU 14 HG LEU 14 -5.716 -2.451 2.123 115 HD11 LEU 14 HD11 LEU 14 -4.959 -0.369 1.083 116 HD12 LEU 14 HD12 LEU 14 -3.435 -1.142 0.648 117 HD13 LEU 14 HD13 LEU 14 -3.850 -0.903 2.346 118 HD21 LEU 14 HD21 LEU 14 -4.751 -2.850 -0.706 119 HD22 LEU 14 HD22 LEU 14 -6.234 -2.025 -0.230 120 HD23 LEU 14 HD23 LEU 14 -6.044 -3.751 0.083 121 H VAL 15 HN VAL 15 -4.002 -5.676 4.152 122 HA VAL 15 HA VAL 15 -6.450 -4.925 5.355 123 HB VAL 15 HB VAL 15 -4.827 -7.459 5.842 124 HG11 VAL 15 HG11 VAL 15 -6.484 -7.121 7.600 125 HG12 VAL 15 HG12 VAL 15 -6.938 -8.474 6.566 126 HG13 VAL 15 HG13 VAL 15 -7.747 -6.916 6.388 127 HG21 VAL 15 HG21 VAL 15 -7.093 -6.943 3.928 128 HG22 VAL 15 HG22 VAL 15 -6.326 -8.504 4.214 129 HG23 VAL 15 HG23 VAL 15 -5.401 -7.182 3.498 130 H GLU 16 HN GLU 16 -3.246 -4.595 6.411 131 HA GLU 16 HA GLU 16 -3.618 -4.780 9.186 132 HB2 GLU 16 HB2 GLU 16 -1.581 -3.171 7.643 133 HB3 GLU 16 HB1 GLU 16 -1.536 -3.487 9.373 134 HG2 GLU 16 HG2 GLU 16 -1.452 -5.583 7.218 135 HG3 GLU 16 HG1 GLU 16 -0.088 -4.963 8.146 136 H SER 17 HN SER 17 -4.278 -2.315 6.863 137 HA SER 17 HA SER 17 -4.916 -0.414 8.950 138 HB2 SER 17 HB2 SER 17 -4.875 -0.110 5.960 139 HB3 SER 17 HB1 SER 17 -5.197 1.184 7.123 140 HG SER 17 HG SER 17 -3.170 0.592 8.092 141 H ALA 18 HN ALA 18 -6.461 -2.896 7.484 142 HA ALA 18 HA ALA 18 -9.045 -1.636 7.186 143 HB1 ALA 18 HB1 ALA 18 -9.886 -3.928 6.839 144 HB2 ALA 18 HB2 ALA 18 -8.318 -4.578 7.295 145 HB3 ALA 18 HB3 ALA 18 -8.477 -3.620 5.822 146 H GLY 19 HN GLY 19 -7.153 -3.161 9.595 147 HA2 GLY 19 HA2 GLY 19 -7.568 -2.773 11.929 148 HA3 GLY 19 HA1 GLY 19 -9.299 -2.743 11.553 149 H GLU 20 HN GLU 20 -9.967 -4.742 10.363 150 HA GLU 20 HA GLU 20 -8.760 -7.149 11.450 151 HB2 GLU 20 HB2 GLU 20 -11.661 -6.313 11.590 152 HB3 GLU 20 HB1 GLU 20 -11.121 -7.969 11.812 153 HG2 GLU 20 HG2 GLU 20 -9.948 -7.398 13.789 154 HG3 GLU 20 HG1 GLU 20 -10.187 -5.674 13.500 155 H THR 21 HN THR 21 -9.750 -8.979 10.255 156 HA THR 21 HA THR 21 -9.993 -8.249 7.451 157 HB THR 21 HB THR 21 -9.811 -11.039 8.630 158 HG1 THR 21 HG1 THR 21 -7.963 -9.587 9.179 159 HG21 THR 21 HG21 THR 21 -9.115 -9.918 5.905 160 HG22 THR 21 HG22 THR 21 -10.544 -10.880 6.286 161 HG23 THR 21 HG23 THR 21 -8.941 -11.602 6.395 162 H ASP 22 HN ASP 22 -12.005 -7.314 8.304 163 HA ASP 22 HA ASP 22 -14.237 -8.880 9.128 164 HB2 ASP 22 HB2 ASP 22 -13.985 -6.468 9.616 165 HB3 ASP 22 HB1 ASP 22 -14.135 -6.118 7.901 166 H GLY 23 HN GLY 23 -13.340 -7.318 6.121 167 HA2 GLY 23 HA2 GLY 23 -14.286 -9.428 4.502 168 HA3 GLY 23 HA1 GLY 23 -15.404 -8.055 4.471 169 H THR 24 HN THR 24 -11.944 -8.650 4.402 170 HA THR 24 HA THR 24 -11.696 -6.432 2.505 171 HB THR 24 HB THR 24 -9.594 -7.328 4.493 172 HG1 THR 24 HG1 THR 24 -11.636 -5.333 4.675 173 HG21 THR 24 HG21 THR 24 -10.007 -4.745 2.955 174 HG22 THR 24 HG22 THR 24 -8.814 -5.982 2.560 175 HG23 THR 24 HG23 THR 24 -8.679 -5.078 4.068 176 H ASP 25 HN ASP 25 -12.045 -8.065 0.884 177 HA ASP 25 HA ASP 25 -9.897 -9.988 0.562 178 HB2 ASP 25 HB2 ASP 25 -12.681 -9.855 -0.489 179 HB3 ASP 25 HB1 ASP 25 -11.461 -10.720 -1.413 180 H LEU 26 HN LEU 26 -8.279 -9.281 -0.432 181 HA LEU 26 HA LEU 26 -8.612 -7.629 -2.836 182 HB2 LEU 26 HB2 LEU 26 -6.124 -8.286 -1.219 183 HB3 LEU 26 HB1 LEU 26 -6.130 -7.310 -2.665 184 HG LEU 26 HG LEU 26 -5.925 -5.788 -0.945 185 HD11 LEU 26 HD11 LEU 26 -7.554 -5.040 -2.503 186 HD12 LEU 26 HD12 LEU 26 -7.963 -4.468 -0.886 187 HD13 LEU 26 HD13 LEU 26 -8.845 -5.823 -1.591 188 HD21 LEU 26 HD21 LEU 26 -7.310 -5.713 1.089 189 HD22 LEU 26 HD22 LEU 26 -6.394 -7.216 0.956 190 HD23 LEU 26 HD23 LEU 26 -8.116 -7.196 0.577 191 H SER 27 HN SER 27 -9.066 -10.488 -2.235 192 HA SER 27 HA SER 27 -7.255 -12.224 -3.428 193 HB2 SER 27 HB2 SER 27 -10.254 -12.494 -3.236 194 HB3 SER 27 HB1 SER 27 -9.041 -13.780 -3.183 195 HG SER 27 HG SER 27 -10.052 -12.711 -1.083 196 H GLY 28 HN GLY 28 -6.759 -12.379 -5.536 197 HA2 GLY 28 HA2 GLY 28 -7.456 -12.815 -7.805 198 HA3 GLY 28 HA1 GLY 28 -8.786 -11.679 -7.561 199 H ASP 29 HN ASP 29 -8.498 -9.638 -8.193 200 HA ASP 29 HA ASP 29 -5.759 -8.645 -8.260 201 HB2 ASP 29 HB2 ASP 29 -6.306 -9.057 -10.602 202 HB3 ASP 29 HB1 ASP 29 -7.795 -8.119 -10.436 203 H PHE 30 HN PHE 30 -5.508 -6.901 -7.247 204 HA PHE 30 HA PHE 30 -7.823 -5.167 -6.814 205 HB2 PHE 30 HB2 PHE 30 -7.040 -4.689 -4.559 206 HB3 PHE 30 HB1 PHE 30 -7.296 -6.415 -4.747 207 HD1 PHE 30 HD2 PHE 30 -5.217 -7.886 -5.135 208 HD2 PHE 30 HD1 PHE 30 -5.004 -3.851 -3.792 209 HE1 PHE 30 HE2 PHE 30 -2.952 -8.295 -4.272 210 HE2 PHE 30 HE1 PHE 30 -2.742 -4.258 -2.927 211 HZ PHE 30 HZ PHE 30 -1.711 -6.482 -3.166 212 H LEU 31 HN LEU 31 -5.104 -5.417 -8.499 213 HA LEU 31 HA LEU 31 -3.771 -3.058 -7.561 214 HB2 LEU 31 HB2 LEU 31 -3.166 -4.907 -9.861 215 HB3 LEU 31 HB1 LEU 31 -2.202 -3.507 -9.456 216 HG LEU 31 HG LEU 31 -1.071 -5.404 -8.665 217 HD11 LEU 31 HD11 LEU 31 -2.373 -4.065 -6.324 218 HD12 LEU 31 HD12 LEU 31 -0.913 -3.552 -7.173 219 HD13 LEU 31 HD13 LEU 31 -0.918 -5.057 -6.254 220 HD21 LEU 31 HD21 LEU 31 -2.828 -7.054 -8.609 221 HD22 LEU 31 HD22 LEU 31 -3.583 -6.247 -7.236 222 HD23 LEU 31 HD23 LEU 31 -2.011 -7.021 -7.043 223 H ASP 32 HN ASP 32 -5.999 -3.896 -10.112 224 HA ASP 32 HA ASP 32 -5.471 -1.457 -11.591 225 HB2 ASP 32 HB2 ASP 32 -6.106 -3.502 -12.792 226 HB3 ASP 32 HB1 ASP 32 -7.655 -3.517 -11.966 227 H LEU 33 HN LEU 33 -7.657 -2.471 -9.125 228 HA LEU 33 HA LEU 33 -9.674 -0.575 -9.772 229 HB2 LEU 33 HB2 LEU 33 -10.755 -1.252 -7.622 230 HB3 LEU 33 HB1 LEU 33 -10.486 -2.541 -8.767 231 HG LEU 33 HG LEU 33 -8.470 -3.203 -7.364 232 HD11 LEU 33 HD11 LEU 33 -8.430 -2.500 -5.034 233 HD12 LEU 33 HD12 LEU 33 -9.724 -1.345 -5.354 234 HD13 LEU 33 HD13 LEU 33 -8.150 -1.142 -6.124 235 HD21 LEU 33 HD21 LEU 33 -11.199 -3.324 -6.103 236 HD22 LEU 33 HD22 LEU 33 -9.834 -4.375 -5.714 237 HD23 LEU 33 HD23 LEU 33 -10.560 -4.428 -7.320 238 H ARG 34 HN ARG 34 -10.575 0.913 -7.993 239 HA ARG 34 HA ARG 34 -8.388 2.717 -7.360 240 HB2 ARG 34 HB2 ARG 34 -11.389 3.094 -7.261 241 HB3 ARG 34 HB1 ARG 34 -10.196 4.340 -6.930 242 HG2 ARG 34 HG2 ARG 34 -10.583 2.925 -9.551 243 HG3 ARG 34 HG1 ARG 34 -11.133 4.558 -9.159 244 HD2 ARG 34 HD2 ARG 34 -8.865 5.269 -8.811 245 HD3 ARG 34 HD1 ARG 34 -8.262 3.643 -9.095 246 HE ARG 34 HE ARG 34 -9.807 4.601 -11.266 247 HH11 ARG 34 HH11 ARG 34 -6.667 4.881 -9.717 248 HH12 ARG 34 HH12 ARG 34 -5.782 5.289 -11.093 249 HH21 ARG 34 HH21 ARG 34 -8.638 5.146 -13.270 250 HH22 ARG 34 HH22 ARG 34 -6.967 5.427 -13.219 251 H PHE 35 HN PHE 35 -8.330 3.674 -5.287 252 HA PHE 35 HA PHE 35 -8.732 1.815 -3.190 253 HB2 PHE 35 HB2 PHE 35 -8.015 4.746 -3.119 254 HB3 PHE 35 HB1 PHE 35 -8.105 3.740 -1.674 255 HD1 PHE 35 HD2 PHE 35 -6.576 1.683 -1.512 256 HD2 PHE 35 HD1 PHE 35 -6.146 4.734 -4.470 257 HE1 PHE 35 HE2 PHE 35 -4.306 0.977 -1.918 258 HE2 PHE 35 HE1 PHE 35 -3.839 4.003 -4.870 259 HZ PHE 35 HZ PHE 35 -2.945 2.011 -3.545 260 H GLU 36 HN GLU 36 -10.538 4.501 -4.372 261 HA GLU 36 HA GLU 36 -12.545 4.763 -2.512 262 HB2 GLU 36 HB2 GLU 36 -12.252 6.190 -4.483 263 HB3 GLU 36 HB1 GLU 36 -12.728 4.860 -5.524 264 HG2 GLU 36 HG2 GLU 36 -14.946 4.871 -4.515 265 HG3 GLU 36 HG1 GLU 36 -14.461 6.216 -3.484 266 H ASP 37 HN ASP 37 -12.122 2.294 -5.030 267 HA ASP 37 HA ASP 37 -14.650 1.059 -4.923 268 HB2 ASP 37 HB2 ASP 37 -11.948 -0.008 -5.727 269 HB3 ASP 37 HB1 ASP 37 -13.372 -1.031 -5.709 270 H ILE 38 HN ILE 38 -11.833 0.723 -2.941 271 HA ILE 38 HA ILE 38 -13.204 -1.414 -1.502 272 HB ILE 38 HB ILE 38 -10.957 -2.004 -0.541 273 HG12 ILE 38 HG12 ILE 38 -9.977 -0.119 -2.714 274 HG13 ILE 38 HG11 ILE 38 -9.825 0.145 -0.982 275 HG21 ILE 38 HG21 ILE 38 -11.317 -2.147 -3.518 276 HG22 ILE 38 HG22 ILE 38 -11.986 -3.265 -2.332 277 HG23 ILE 38 HG23 ILE 38 -10.233 -3.185 -2.584 278 HD11 ILE 38 HD11 ILE 38 -8.349 -1.799 -0.823 279 HD12 ILE 38 HD12 ILE 38 -7.727 -0.598 -1.953 280 HD13 ILE 38 HD13 ILE 38 -8.507 -2.059 -2.559 281 H GLY 39 HN GLY 39 -13.351 1.546 -1.278 282 HA2 GLY 39 HA2 GLY 39 -13.835 3.057 0.409 283 HA3 GLY 39 HA1 GLY 39 -13.967 1.665 1.470 284 H TYR 40 HN TYR 40 -11.088 2.758 -0.253 285 HA TYR 40 HA TYR 40 -9.843 3.192 2.346 286 HB2 TYR 40 HB2 TYR 40 -8.765 2.103 -0.194 287 HB3 TYR 40 HB1 TYR 40 -7.687 3.067 0.806 288 HD1 TYR 40 HD2 TYR 40 -9.983 0.163 0.935 289 HD2 TYR 40 HD1 TYR 40 -6.581 2.070 2.607 290 HE1 TYR 40 HE2 TYR 40 -9.605 -1.794 2.314 291 HE2 TYR 40 HE1 TYR 40 -6.162 0.110 4.020 292 HH TYR 40 HH TYR 40 -7.872 -2.857 3.621 293 H ASP 41 HN ASP 41 -9.215 5.000 2.913 294 HA ASP 41 HA ASP 41 -9.175 7.262 1.044 295 HB2 ASP 41 HB2 ASP 41 -9.216 7.175 4.078 296 HB3 ASP 41 HB1 ASP 41 -9.196 8.640 3.109 297 H SER 42 HN SER 42 -7.416 8.804 1.397 298 HA SER 42 HA SER 42 -4.836 7.747 1.296 299 HB2 SER 42 HB2 SER 42 -4.264 10.187 1.783 300 HB3 SER 42 HB1 SER 42 -5.284 9.875 0.367 301 H LEU 43 HN LEU 43 -6.667 9.199 3.821 302 HA LEU 43 HA LEU 43 -4.896 9.333 5.935 303 HB2 LEU 43 HB2 LEU 43 -7.836 8.702 6.063 304 HB3 LEU 43 HB1 LEU 43 -6.862 9.334 7.377 305 HG LEU 43 HG LEU 43 -7.467 10.768 4.790 306 HD11 LEU 43 HD11 LEU 43 -9.404 10.631 6.243 307 HD12 LEU 43 HD12 LEU 43 -8.768 12.275 6.145 308 HD13 LEU 43 HD13 LEU 43 -8.455 11.297 7.581 309 HD21 LEU 43 HD21 LEU 43 -6.393 12.691 5.840 310 HD22 LEU 43 HD22 LEU 43 -5.267 11.346 5.642 311 HD23 LEU 43 HD23 LEU 43 -5.961 11.692 7.228 312 H ALA 44 HN ALA 44 -6.638 6.529 4.731 313 HA ALA 44 HA ALA 44 -5.808 4.872 6.954 314 HB1 ALA 44 HB1 ALA 44 -7.990 4.478 5.898 315 HB2 ALA 44 HB2 ALA 44 -6.944 3.063 5.752 316 HB3 ALA 44 HB3 ALA 44 -7.183 4.130 4.368 317 H LEU 45 HN LEU 45 -5.009 5.423 3.586 318 HA LEU 45 HA LEU 45 -3.250 3.297 3.199 319 HB2 LEU 45 HB2 LEU 45 -3.304 6.015 1.908 320 HB3 LEU 45 HB1 LEU 45 -2.339 4.672 1.326 321 HG LEU 45 HG LEU 45 -5.347 4.712 1.485 322 HD11 LEU 45 HD11 LEU 45 -5.247 4.822 -0.953 323 HD12 LEU 45 HD12 LEU 45 -3.490 4.944 -0.875 324 HD13 LEU 45 HD13 LEU 45 -4.493 6.234 -0.212 325 HD21 LEU 45 HD21 LEU 45 -3.426 2.707 0.323 326 HD22 LEU 45 HD22 LEU 45 -5.184 2.639 0.195 327 HD23 LEU 45 HD23 LEU 45 -4.405 2.482 1.774 328 H MET 46 HN MET 46 -2.747 6.512 4.506 329 HA MET 46 HA MET 46 0.092 6.415 4.586 330 HB2 MET 46 HB2 MET 46 -1.794 8.021 6.321 331 HB3 MET 46 HB1 MET 46 -0.053 8.235 6.274 332 HG2 MET 46 HG2 MET 46 -0.220 8.860 3.896 333 HG3 MET 46 HG1 MET 46 -1.972 8.675 4.001 334 HE1 MET 46 HE1 MET 46 -3.499 10.202 5.646 335 HE2 MET 46 HE2 MET 46 -2.845 11.512 6.629 336 HE3 MET 46 HE3 MET 46 -2.433 9.840 7.002 337 H GLU 47 HN GLU 47 -2.392 5.185 6.668 338 HA GLU 47 HA GLU 47 -0.747 4.705 8.946 339 HB2 GLU 47 HB2 GLU 47 -3.302 4.901 8.872 340 HB3 GLU 47 HB1 GLU 47 -3.328 3.317 8.141 341 HG2 GLU 47 HG2 GLU 47 -2.197 3.865 10.885 342 HG3 GLU 47 HG1 GLU 47 -3.872 3.424 10.593 343 H THR 48 HN THR 48 -1.895 2.809 6.175 344 HA THR 48 HA THR 48 -0.763 0.336 6.595 345 HB THR 48 HB THR 48 -0.787 1.778 3.928 346 HG1 THR 48 HG1 THR 48 -2.874 0.954 5.590 347 HG21 THR 48 HG21 THR 48 -1.392 -0.443 3.068 348 HG22 THR 48 HG22 THR 48 -1.363 -1.090 4.708 349 HG23 THR 48 HG23 THR 48 0.127 -0.509 3.965 350 H ALA 49 HN ALA 49 0.529 3.024 4.690 351 HA ALA 49 HA ALA 49 3.017 2.059 4.052 352 HB1 ALA 49 HB1 ALA 49 3.656 4.351 3.626 353 HB2 ALA 49 HB2 ALA 49 2.285 4.927 4.577 354 HB3 ALA 49 HB3 ALA 49 2.009 4.051 3.071 355 H ALA 50 HN ALA 50 2.190 4.087 6.861 356 HA ALA 50 HA ALA 50 4.781 4.368 7.865 357 HB1 ALA 50 HB1 ALA 50 2.895 5.747 8.574 358 HB2 ALA 50 HB2 ALA 50 3.769 5.051 9.939 359 HB3 ALA 50 HB3 ALA 50 2.223 4.362 9.434 360 H ARG 51 HN ARG 51 2.459 1.765 8.384 361 HA ARG 51 HA ARG 51 4.081 0.629 10.488 362 HB2 ARG 51 HB2 ARG 51 1.552 0.383 10.319 363 HB3 ARG 51 HB1 ARG 51 1.841 -0.746 9.001 364 HG2 ARG 51 HG2 ARG 51 3.105 -2.192 10.515 365 HG3 ARG 51 HG1 ARG 51 2.821 -1.054 11.833 366 HD2 ARG 51 HD2 ARG 51 0.350 -1.378 11.396 367 HD3 ARG 51 HD1 ARG 51 0.844 -2.692 10.320 368 HE ARG 51 HE ARG 51 2.081 -3.249 12.694 369 HH11 ARG 51 HH11 ARG 51 -1.324 -2.660 11.827 370 HH12 ARG 51 HH12 ARG 51 -1.924 -3.767 12.976 371 HH21 ARG 51 HH21 ARG 51 1.222 -4.677 14.296 372 HH22 ARG 51 HH22 ARG 51 -0.490 -4.867 14.419 373 H LEU 52 HN LEU 52 3.557 0.204 7.077 374 HA LEU 52 HA LEU 52 5.076 -2.164 6.810 375 HB2 LEU 52 HB2 LEU 52 4.477 -0.077 4.723 376 HB3 LEU 52 HB1 LEU 52 5.101 -1.685 4.413 377 HG LEU 52 HG LEU 52 2.390 -0.948 5.464 378 HD11 LEU 52 HD11 LEU 52 2.641 -0.669 3.091 379 HD12 LEU 52 HD12 LEU 52 1.592 -2.043 3.443 380 HD13 LEU 52 HD13 LEU 52 3.262 -2.313 2.940 381 HD21 LEU 52 HD21 LEU 52 1.903 -3.356 5.504 382 HD22 LEU 52 HD22 LEU 52 3.167 -2.918 6.654 383 HD23 LEU 52 HD23 LEU 52 3.594 -3.693 5.129 384 H GLU 53 HN GLU 53 5.918 1.208 6.933 385 HA GLU 53 HA GLU 53 8.480 1.144 5.919 386 HB2 GLU 53 HB2 GLU 53 7.499 2.697 8.323 387 HB3 GLU 53 HB1 GLU 53 9.019 2.989 7.500 388 HG2 GLU 53 HG2 GLU 53 7.751 3.556 5.462 389 HG3 GLU 53 HG1 GLU 53 6.258 3.357 6.384 390 H SER 54 HN SER 54 7.393 0.578 9.237 391 HA SER 54 HA SER 54 9.873 -0.081 10.343 392 HB2 SER 54 HB2 SER 54 7.116 -0.894 11.247 393 HB3 SER 54 HB1 SER 54 8.552 -0.639 12.252 394 HG SER 54 HG SER 54 8.484 1.543 11.762 395 H ARG 55 HN ARG 55 7.251 -1.991 8.965 396 HA ARG 55 HA ARG 55 8.280 -4.501 9.793 397 HB2 ARG 55 HB2 ARG 55 5.913 -4.152 9.499 398 HB3 ARG 55 HB1 ARG 55 6.139 -3.809 7.794 399 HG2 ARG 55 HG2 ARG 55 6.674 -6.070 7.328 400 HG3 ARG 55 HG1 ARG 55 6.809 -6.458 9.046 401 HD2 ARG 55 HD2 ARG 55 4.276 -5.543 7.687 402 HD3 ARG 55 HD1 ARG 55 4.675 -7.227 8.036 403 HE ARG 55 HE ARG 55 4.926 -5.811 10.409 404 HH11 ARG 55 HH11 ARG 55 2.217 -6.525 8.170 405 HH12 ARG 55 HH12 ARG 55 1.078 -6.623 9.438 406 HH21 ARG 55 HH21 ARG 55 3.314 -6.099 12.104 407 HH22 ARG 55 HH22 ARG 55 1.704 -6.461 11.680 408 H TYR 56 HN TYR 56 8.295 -2.885 6.599 409 HA TYR 56 HA TYR 56 9.892 -5.103 5.582 410 HB2 TYR 56 HB2 TYR 56 8.483 -2.856 4.146 411 HB3 TYR 56 HB1 TYR 56 9.531 -4.018 3.341 412 HD1 TYR 56 HD2 TYR 56 8.874 -6.392 3.228 413 HD2 TYR 56 HD1 TYR 56 6.254 -3.445 4.807 414 HE1 TYR 56 HE2 TYR 56 6.994 -7.947 2.981 415 HE2 TYR 56 HE1 TYR 56 4.362 -4.989 4.571 416 HH TYR 56 HH TYR 56 3.758 -7.007 3.192 417 H GLY 57 HN GLY 57 10.414 -2.049 6.863 418 HA2 GLY 57 HA2 GLY 57 12.446 -1.002 7.202 419 HA3 GLY 57 HA1 GLY 57 13.204 -2.205 6.167 420 H VAL 58 HN VAL 58 10.768 0.321 5.820 421 HA VAL 58 HA VAL 58 12.289 1.387 3.577 422 HB VAL 58 HB VAL 58 10.223 1.815 2.247 423 HG11 VAL 58 HG11 VAL 58 10.704 -1.083 2.851 424 HG12 VAL 58 HG12 VAL 58 11.597 -0.093 1.687 425 HG13 VAL 58 HG13 VAL 58 9.884 -0.449 1.426 426 HG21 VAL 58 HG21 VAL 58 8.168 0.575 2.750 427 HG22 VAL 58 HG22 VAL 58 8.568 1.727 4.021 428 HG23 VAL 58 HG23 VAL 58 8.888 0.007 4.258 429 H SER 59 HN SER 59 11.172 3.531 2.844 430 HA SER 59 HA SER 59 10.245 4.993 5.186 431 HB2 SER 59 HB2 SER 59 12.250 5.945 3.112 432 HB3 SER 59 HB1 SER 59 11.635 6.889 4.468 433 HG SER 59 HG SER 59 13.179 6.091 5.566 434 H ILE 60 HN ILE 60 8.267 5.656 4.691 435 HA ILE 60 HA ILE 60 7.693 6.474 1.927 436 HB ILE 60 HB ILE 60 5.753 4.932 3.683 437 HG12 ILE 60 HG12 ILE 60 7.196 3.991 1.187 438 HG13 ILE 60 HG11 ILE 60 7.626 3.519 2.827 439 HG21 ILE 60 HG21 ILE 60 5.558 5.846 0.804 440 HG22 ILE 60 HG22 ILE 60 4.670 6.519 2.173 441 HG23 ILE 60 HG23 ILE 60 4.360 4.864 1.649 442 HD11 ILE 60 HD11 ILE 60 5.013 2.943 1.451 443 HD12 ILE 60 HD12 ILE 60 5.451 2.451 3.088 444 HD13 ILE 60 HD13 ILE 60 6.329 1.797 1.703 445 HA PRO 61 HA PRO 61 6.524 10.060 4.422 446 HB2 PRO 61 HB2 PRO 61 6.124 11.164 1.696 447 HB3 PRO 61 HB1 PRO 61 7.079 11.812 3.033 448 HG2 PRO 61 HG2 PRO 61 8.271 10.722 0.916 449 HG3 PRO 61 HG1 PRO 61 8.907 10.462 2.552 450 HD2 PRO 61 HD2 PRO 61 7.259 8.632 0.850 451 HD3 PRO 61 HD1 PRO 61 8.667 8.258 1.872 452 H ASP 62 HN ASP 62 4.570 10.874 4.932 453 HA ASP 62 HA ASP 62 2.278 9.389 4.649 454 HB2 ASP 62 HB2 ASP 62 2.520 12.322 5.309 455 HB3 ASP 62 HB1 ASP 62 1.104 11.330 5.601 456 H ASP 63 HN ASP 63 3.023 12.455 3.069 457 HA ASP 63 HA ASP 63 0.526 12.697 1.752 458 HB2 ASP 63 HB2 ASP 63 1.364 14.596 0.648 459 HB3 ASP 63 HB1 ASP 63 2.256 14.553 2.157 460 H VAL 64 HN VAL 64 3.399 11.075 0.905 461 HA VAL 64 HA VAL 64 2.943 10.678 -1.884 462 HB VAL 64 HB VAL 64 4.512 9.045 0.094 463 HG11 VAL 64 HG11 VAL 64 4.724 9.200 -2.929 464 HG12 VAL 64 HG12 VAL 64 4.126 7.826 -1.999 465 HG13 VAL 64 HG13 VAL 64 5.823 8.295 -1.886 466 HG21 VAL 64 HG21 VAL 64 5.404 11.316 -1.679 467 HG22 VAL 64 HG22 VAL 64 6.472 10.323 -0.683 468 HG23 VAL 64 HG23 VAL 64 5.254 11.346 0.078 469 H ALA 65 HN ALA 65 2.385 8.773 1.028 470 HA ALA 65 HA ALA 65 1.240 6.498 -0.179 471 HB1 ALA 65 HB1 ALA 65 2.080 6.511 2.128 472 HB2 ALA 65 HB2 ALA 65 0.402 5.960 2.045 473 HB3 ALA 65 HB3 ALA 65 0.763 7.595 2.587 474 H GLY 66 HN GLY 66 -0.028 9.593 0.662 475 HA2 GLY 66 HA2 GLY 66 -2.776 8.765 0.277 476 HA3 GLY 66 HA1 GLY 66 -2.218 10.395 0.620 477 H ARG 67 HN ARG 67 -0.298 9.444 -1.822 478 HA ARG 67 HA ARG 67 -2.011 10.827 -3.755 479 HB2 ARG 67 HB2 ARG 67 0.287 11.702 -3.364 480 HB3 ARG 67 HB1 ARG 67 0.918 10.159 -3.944 481 HG2 ARG 67 HG2 ARG 67 -0.164 10.556 -6.117 482 HG3 ARG 67 HG1 ARG 67 -0.676 12.142 -5.544 483 HD2 ARG 67 HD2 ARG 67 1.611 12.836 -5.298 484 HD3 ARG 67 HD1 ARG 67 2.180 11.215 -5.704 485 HE ARG 67 HE ARG 67 0.548 12.683 -7.610 486 HH11 ARG 67 HH11 ARG 67 3.754 11.411 -6.721 487 HH12 ARG 67 HH12 ARG 67 4.389 11.467 -8.285 488 HH21 ARG 67 HH21 ARG 67 1.410 12.725 -9.801 489 HH22 ARG 67 HH22 ARG 67 3.041 12.283 -10.078 490 H VAL 68 HN VAL 68 -0.713 7.712 -3.081 491 HA VAL 68 HA VAL 68 -0.253 6.646 -5.579 492 HB VAL 68 HB VAL 68 -0.690 4.379 -4.581 493 HG11 VAL 68 HG11 VAL 68 1.148 4.517 -2.962 494 HG12 VAL 68 HG12 VAL 68 1.002 6.276 -2.959 495 HG13 VAL 68 HG13 VAL 68 1.493 5.434 -4.429 496 HG21 VAL 68 HG21 VAL 68 -1.144 4.226 -2.187 497 HG22 VAL 68 HG22 VAL 68 -2.491 5.001 -3.028 498 HG23 VAL 68 HG23 VAL 68 -1.339 5.976 -2.106 499 H ASP 69 HN ASP 69 -1.324 6.467 -7.239 500 HA ASP 69 HA ASP 69 -4.091 6.989 -7.555 501 HB2 ASP 69 HB2 ASP 69 -2.281 7.344 -9.291 502 HB3 ASP 69 HB1 ASP 69 -2.264 5.610 -9.517 503 H THR 70 HN THR 70 -2.296 3.981 -7.772 504 HA THR 70 HA THR 70 -4.800 2.522 -7.376 505 HB THR 70 HB THR 70 -3.942 0.817 -8.970 506 HG1 THR 70 HG1 THR 70 -2.193 1.752 -10.434 507 HG21 THR 70 HG21 THR 70 -5.527 2.512 -9.767 508 HG22 THR 70 HG22 THR 70 -4.386 2.087 -11.054 509 HG23 THR 70 HG23 THR 70 -4.183 3.593 -10.138 510 HA PRO 71 HA PRO 71 -2.296 0.255 -4.446 511 HB2 PRO 71 HB2 PRO 71 -3.409 -2.233 -5.667 512 HB3 PRO 71 HB1 PRO 71 -3.408 -1.723 -3.971 513 HG2 PRO 71 HG2 PRO 71 -5.648 -1.562 -5.329 514 HG3 PRO 71 HG1 PRO 71 -5.156 -0.189 -4.309 515 HD2 PRO 71 HD2 PRO 71 -4.834 -0.537 -7.276 516 HD3 PRO 71 HD1 PRO 71 -5.495 0.857 -6.393 517 H ARG 72 HN ARG 72 -2.262 -0.492 -7.847 518 HA ARG 72 HA ARG 72 0.115 -2.053 -7.820 519 HB2 ARG 72 HB2 ARG 72 -1.408 -2.120 -9.745 520 HB3 ARG 72 HB1 ARG 72 -1.097 -0.422 -10.067 521 HG2 ARG 72 HG2 ARG 72 1.203 -0.906 -10.629 522 HG3 ARG 72 HG1 ARG 72 0.984 -2.600 -10.187 523 HD2 ARG 72 HD2 ARG 72 -0.496 -1.168 -12.391 524 HD3 ARG 72 HD1 ARG 72 0.898 -2.223 -12.625 525 HE ARG 72 HE ARG 72 -0.535 -3.984 -11.546 526 HH11 ARG 72 HH11 ARG 72 -1.992 -1.324 -13.454 527 HH12 ARG 72 HH12 ARG 72 -3.308 -2.296 -13.938 528 HH21 ARG 72 HH21 ARG 72 -2.455 -5.211 -12.222 529 HH22 ARG 72 HH22 ARG 72 -3.604 -4.475 -13.206 530 H GLU 73 HN GLU 73 -0.561 1.395 -8.182 531 HA GLU 73 HA GLU 73 2.146 2.139 -8.552 532 HB2 GLU 73 HB2 GLU 73 0.287 3.613 -9.193 533 HB3 GLU 73 HB1 GLU 73 -0.188 3.761 -7.509 534 HG2 GLU 73 HG2 GLU 73 1.767 5.004 -6.978 535 HG3 GLU 73 HG1 GLU 73 2.485 4.656 -8.558 536 H LEU 74 HN LEU 74 0.096 1.722 -5.754 537 HA LEU 74 HA LEU 74 1.875 2.677 -3.769 538 HB2 LEU 74 HB2 LEU 74 -0.642 2.025 -3.600 539 HB3 LEU 74 HB1 LEU 74 -0.079 0.388 -3.401 540 HG LEU 74 HG LEU 74 0.524 2.673 -1.501 541 HD11 LEU 74 HD11 LEU 74 -1.453 0.420 -1.266 542 HD12 LEU 74 HD12 LEU 74 -1.827 2.129 -1.493 543 HD13 LEU 74 HD13 LEU 74 -1.063 1.585 0.000 544 HD21 LEU 74 HD21 LEU 74 1.258 0.926 0.049 545 HD22 LEU 74 HD22 LEU 74 2.231 0.907 -1.424 546 HD23 LEU 74 HD23 LEU 74 0.969 -0.299 -1.185 547 H LEU 75 HN LEU 75 1.353 -0.503 -5.208 548 HA LEU 75 HA LEU 75 3.229 -2.056 -3.871 549 HB2 LEU 75 HB2 LEU 75 1.488 -2.903 -5.384 550 HB3 LEU 75 HB1 LEU 75 2.297 -2.161 -6.743 551 HG LEU 75 HG LEU 75 4.208 -3.733 -6.378 552 HD11 LEU 75 HD11 LEU 75 3.847 -5.689 -4.973 553 HD12 LEU 75 HD12 LEU 75 2.325 -5.001 -4.403 554 HD13 LEU 75 HD13 LEU 75 3.850 -4.205 -4.021 555 HD21 LEU 75 HD21 LEU 75 1.500 -4.980 -6.814 556 HD22 LEU 75 HD22 LEU 75 3.050 -5.678 -7.291 557 HD23 LEU 75 HD23 LEU 75 2.489 -4.181 -8.038 558 H ASP 76 HN ASP 76 3.541 -0.307 -6.948 559 HA ASP 76 HA ASP 76 6.235 -0.791 -7.482 560 HB2 ASP 76 HB2 ASP 76 4.819 0.118 -9.192 561 HB3 ASP 76 HB1 ASP 76 4.506 1.566 -8.239 562 H LEU 77 HN LEU 77 4.772 1.871 -5.703 563 HA LEU 77 HA LEU 77 6.990 3.440 -5.171 564 HB2 LEU 77 HB2 LEU 77 4.742 4.135 -4.625 565 HB3 LEU 77 HB1 LEU 77 4.586 2.844 -3.455 566 HG LEU 77 HG LEU 77 6.355 3.932 -2.092 567 HD11 LEU 77 HD11 LEU 77 6.943 6.255 -2.548 568 HD12 LEU 77 HD12 LEU 77 6.063 6.176 -4.076 569 HD13 LEU 77 HD13 LEU 77 7.494 5.172 -3.827 570 HD21 LEU 77 HD21 LEU 77 3.924 5.601 -2.715 571 HD22 LEU 77 HD22 LEU 77 4.911 5.721 -1.258 572 HD23 LEU 77 HD23 LEU 77 4.001 4.248 -1.586 573 H ILE 78 HN ILE 78 5.709 0.738 -3.266 574 HA ILE 78 HA ILE 78 7.840 0.907 -1.386 575 HB ILE 78 HB ILE 78 5.911 -1.412 -1.769 576 HG12 ILE 78 HG12 ILE 78 5.784 1.015 0.040 577 HG13 ILE 78 HG11 ILE 78 4.695 0.642 -1.289 578 HG21 ILE 78 HG21 ILE 78 6.523 -1.981 0.551 579 HG22 ILE 78 HG22 ILE 78 7.674 -0.645 0.571 580 HG23 ILE 78 HG23 ILE 78 7.932 -2.015 -0.510 581 HD11 ILE 78 HD11 ILE 78 3.651 0.169 0.845 582 HD12 ILE 78 HD12 ILE 78 4.985 -0.885 1.282 583 HD13 ILE 78 HD13 ILE 78 3.907 -1.339 -0.044 584 H ASN 79 HN ASN 79 7.156 -1.179 -4.166 585 HA ASN 79 HA ASN 79 9.337 -2.916 -3.871 586 HB2 ASN 79 HB2 ASN 79 7.916 -2.010 -6.377 587 HB3 ASN 79 HB1 ASN 79 9.238 -3.167 -6.420 588 HD21 ASN 79 HD21 ASN 79 8.399 -4.422 -3.891 589 HD22 ASN 79 HD22 ASN 79 6.998 -5.361 -4.310 590 H GLY 80 HN GLY 80 9.187 0.203 -5.545 591 HA2 GLY 80 HA2 GLY 80 11.832 0.246 -6.462 592 HA3 GLY 80 HA1 GLY 80 10.841 1.662 -6.136 593 H ALA 81 HN ALA 81 10.440 1.133 -3.367 594 HA ALA 81 HA ALA 81 12.853 2.225 -2.308 595 HB1 ALA 81 HB1 ALA 81 10.410 1.201 -0.855 596 HB2 ALA 81 HB2 ALA 81 10.655 2.856 -1.412 597 HB3 ALA 81 HB3 ALA 81 11.693 2.185 -0.152 598 H LEU 82 HN LEU 82 11.273 -0.888 -2.194 599 HA LEU 82 HA LEU 82 12.970 -2.164 -0.341 600 HB2 LEU 82 HB2 LEU 82 11.208 -3.229 -2.510 601 HB3 LEU 82 HB1 LEU 82 12.075 -4.260 -1.394 602 HG LEU 82 HG LEU 82 10.049 -2.196 -0.539 603 HD11 LEU 82 HD11 LEU 82 8.558 -4.091 -0.215 604 HD12 LEU 82 HD12 LEU 82 9.790 -5.166 -0.879 605 HD13 LEU 82 HD13 LEU 82 9.034 -3.945 -1.911 606 HD21 LEU 82 HD21 LEU 82 10.112 -3.426 1.570 607 HD22 LEU 82 HD22 LEU 82 11.703 -2.783 1.163 608 HD23 LEU 82 HD23 LEU 82 11.353 -4.494 0.915 609 H ALA 83 HN ALA 83 13.188 -1.815 -3.833 610 HA ALA 83 HA ALA 83 15.376 -3.639 -4.114 611 HB1 ALA 83 HB1 ALA 83 13.865 -3.130 -5.982 612 HB2 ALA 83 HB2 ALA 83 15.540 -2.762 -6.392 613 HB3 ALA 83 HB3 ALA 83 14.428 -1.458 -5.981 614 H GLU 84 HN GLU 84 15.044 -0.493 -3.019 615 HA GLU 84 HA GLU 84 17.846 0.230 -3.475 616 HB2 GLU 84 HB2 GLU 84 16.122 1.819 -4.182 617 HB3 GLU 84 HB1 GLU 84 15.443 1.823 -2.566 618 HG2 GLU 84 HG2 GLU 84 17.450 2.881 -1.716 619 HG3 GLU 84 HG1 GLU 84 18.171 2.825 -3.325 620 H ALA 85 HN ALA 85 15.958 -1.280 -1.246 621 HA ALA 85 HA ALA 85 16.873 0.028 1.143 622 HB1 ALA 85 HB1 ALA 85 15.581 -1.673 2.314 623 HB2 ALA 85 HB2 ALA 85 15.321 -2.535 0.798 624 HB3 ALA 85 HB3 ALA 85 14.623 -0.932 1.030 625 H ALA 86 HN ALA 86 18.242 -0.817 2.637 626 HA ALA 86 HA ALA 86 20.040 -2.883 1.630 627 HB1 ALA 86 HB1 ALA 86 20.463 -0.866 3.847 628 HB2 ALA 86 HB2 ALA 86 21.104 -0.751 2.207 629 HB3 ALA 86 HB3 ALA 86 21.656 -2.036 3.282 630 H28 SXV 87 H28A SXV 87 -4.647 14.334 1.372 631 H28A SXV 87 H28B SXV 87 -5.527 14.618 2.866 632 H30 SXV 87 H30C SXV 87 -3.806 13.014 4.698 633 H30A SXV 87 H30A SXV 87 -4.422 14.636 5.013 634 H30B SXV 87 H30B SXV 87 -2.697 14.302 5.159 635 H31 SXV 87 H31C SXV 87 -1.324 13.866 3.098 636 H31A SXV 87 H31A SXV 87 -2.119 13.839 1.525 637 H31B SXV 87 H31B SXV 87 -2.432 12.556 2.697 638 H32 SXV 87 H32A SXV 87 -2.263 16.250 3.646 639 HO33 SXV 87 H33A SXV 87 -4.559 17.169 2.669 640 HN36 SXV 87 H36A SXV 87 -0.946 16.005 1.720 641 H37 SXV 87 H37B SXV 87 -1.539 17.789 -0.399 642 H37A SXV 87 H37A SXV 87 -1.798 16.128 -0.946 643 H38 SXV 87 H38B SXV 87 0.367 16.719 -1.602 644 H38A SXV 87 H38A SXV 87 0.526 15.565 -0.306 645 HN41 SXV 87 H41A SXV 87 2.717 16.592 -0.566 646 H42 SXV 87 H42B SXV 87 3.292 18.278 1.636 647 H42A SXV 87 H42A SXV 87 3.544 19.120 0.117 648 H43 SXV 87 H43B SXV 87 4.739 16.456 0.832 649 H43A SXV 87 H43A SXV 87 5.175 17.438 -0.553 650 H1 SXV 87 H1B SXV 87 4.407 18.727 3.068 651 H1A SXV 87 H1A SXV 87 5.118 17.124 3.327 652 H2 SXV 87 H2A SXV 87 6.524 19.660 4.058 653 H2A SXV 87 H2B SXV 87 7.054 18.004 4.324 654 H4 SXV 87 H4C SXV 87 4.470 20.212 6.587 655 H4A SXV 87 H4A SXV 87 6.048 20.636 5.916 656 H4B SXV 87 H4B SXV 87 5.945 19.653 7.384 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 21.049 -10.138 -5.680 2 H2 MET 1 HT2 MET 1 20.962 -8.571 -5.039 3 H3 MET 1 HT3 MET 1 19.944 -9.009 -6.313 4 HA MET 1 HA MET 1 18.773 -10.517 -4.939 5 HB2 MET 1 HB2 MET 1 20.574 -11.172 -3.429 6 HB3 MET 1 HB1 MET 1 20.680 -9.532 -2.804 7 HG2 MET 1 HG2 MET 1 18.412 -9.745 -1.888 8 HG3 MET 1 HG1 MET 1 18.332 -11.395 -2.494 9 HE1 MET 1 HE1 MET 1 21.319 -10.034 0.762 10 HE2 MET 1 HE2 MET 1 20.168 -8.944 -0.011 11 HE3 MET 1 HE3 MET 1 21.492 -9.634 -0.949 12 H ALA 2 HN ALA 2 16.964 -9.446 -5.041 13 HA ALA 2 HA ALA 2 16.775 -6.887 -3.626 14 HB1 ALA 2 HB1 ALA 2 15.426 -7.625 -6.235 15 HB2 ALA 2 HB2 ALA 2 16.753 -6.480 -6.052 16 HB3 ALA 2 HB3 ALA 2 15.179 -6.127 -5.338 17 H THR 3 HN THR 3 15.474 -7.143 -1.970 18 HA THR 3 HA THR 3 13.606 -9.357 -1.857 19 HB THR 3 HB THR 3 14.171 -7.140 0.035 20 HG1 THR 3 HG1 THR 3 15.322 -9.088 1.111 21 HG21 THR 3 HG21 THR 3 12.872 -9.833 0.471 22 HG22 THR 3 HG22 THR 3 12.070 -8.263 0.514 23 HG23 THR 3 HG23 THR 3 13.245 -8.686 1.757 24 H LEU 4 HN LEU 4 11.784 -8.919 -3.012 25 HA LEU 4 HA LEU 4 10.657 -6.215 -2.772 26 HB2 LEU 4 HB2 LEU 4 10.392 -8.133 -5.085 27 HB3 LEU 4 HB1 LEU 4 9.643 -6.555 -4.977 28 HG LEU 4 HG LEU 4 12.609 -7.102 -5.155 29 HD11 LEU 4 HD11 LEU 4 12.433 -6.063 -7.355 30 HD12 LEU 4 HD12 LEU 4 10.685 -5.937 -7.150 31 HD13 LEU 4 HD13 LEU 4 11.450 -7.523 -7.240 32 HD21 LEU 4 HD21 LEU 4 12.844 -4.674 -5.380 33 HD22 LEU 4 HD22 LEU 4 12.151 -5.113 -3.819 34 HD23 LEU 4 HD23 LEU 4 11.114 -4.482 -5.096 35 H LEU 5 HN LEU 5 8.808 -6.129 -1.743 36 HA LEU 5 HA LEU 5 7.423 -8.540 -1.126 37 HB2 LEU 5 HB2 LEU 5 5.831 -7.109 0.120 38 HB3 LEU 5 HB1 LEU 5 7.489 -6.856 0.596 39 HG LEU 5 HG LEU 5 7.379 -4.760 -0.934 40 HD11 LEU 5 HD11 LEU 5 4.440 -5.214 -0.490 41 HD12 LEU 5 HD12 LEU 5 5.272 -5.257 -2.042 42 HD13 LEU 5 HD13 LEU 5 5.177 -3.747 -1.135 43 HD21 LEU 5 HD21 LEU 5 7.574 -4.658 1.457 44 HD22 LEU 5 HD22 LEU 5 5.846 -4.950 1.627 45 HD23 LEU 5 HD23 LEU 5 6.416 -3.446 0.899 46 H THR 6 HN THR 6 5.445 -9.217 -1.852 47 HA THR 6 HA THR 6 4.849 -8.170 -4.475 48 HB THR 6 HB THR 6 3.665 -10.419 -4.646 49 HG1 THR 6 HG1 THR 6 4.897 -11.861 -2.985 50 HG21 THR 6 HG21 THR 6 6.657 -10.342 -4.175 51 HG22 THR 6 HG22 THR 6 5.851 -9.925 -5.688 52 HG23 THR 6 HG23 THR 6 5.792 -11.581 -5.086 53 H THR 7 HN THR 7 2.377 -9.147 -4.909 54 HA THR 7 HA THR 7 0.638 -7.230 -3.883 55 HB THR 7 HB THR 7 -0.051 -9.921 -5.088 56 HG1 THR 7 HG1 THR 7 0.221 -8.904 -7.094 57 HG21 THR 7 HG21 THR 7 -1.997 -8.715 -5.972 58 HG22 THR 7 HG22 THR 7 -1.439 -7.234 -5.195 59 HG23 THR 7 HG23 THR 7 -1.945 -8.606 -4.211 60 H ASP 8 HN ASP 8 1.300 -10.565 -3.047 61 HA ASP 8 HA ASP 8 -0.708 -11.124 -1.211 62 HB2 ASP 8 HB2 ASP 8 0.720 -12.847 -2.086 63 HB3 ASP 8 HB1 ASP 8 2.143 -12.101 -1.369 64 H ASP 9 HN ASP 9 2.407 -9.564 -0.732 65 HA ASP 9 HA ASP 9 2.170 -9.414 2.135 66 HB2 ASP 9 HB2 ASP 9 4.287 -9.230 0.556 67 HB3 ASP 9 HB1 ASP 9 3.890 -7.514 0.614 68 H LEU 10 HN LEU 10 1.736 -7.265 -0.590 69 HA LEU 10 HA LEU 10 1.002 -4.920 0.709 70 HB2 LEU 10 HB2 LEU 10 1.465 -5.032 -1.678 71 HB3 LEU 10 HB1 LEU 10 0.068 -6.056 -1.927 72 HG LEU 10 HG LEU 10 -1.410 -4.188 -1.319 73 HD11 LEU 10 HD11 LEU 10 -0.496 -1.935 -1.099 74 HD12 LEU 10 HD12 LEU 10 1.139 -2.592 -1.169 75 HD13 LEU 10 HD13 LEU 10 0.083 -3.000 0.182 76 HD21 LEU 10 HD21 LEU 10 0.596 -3.550 -3.475 77 HD22 LEU 10 HD22 LEU 10 -1.017 -2.848 -3.329 78 HD23 LEU 10 HD23 LEU 10 -0.828 -4.573 -3.647 79 H ARG 11 HN ARG 11 -0.955 -7.659 -0.332 80 HA ARG 11 HA ARG 11 -3.491 -6.786 0.385 81 HB2 ARG 11 HB2 ARG 11 -2.962 -8.862 -0.876 82 HB3 ARG 11 HB1 ARG 11 -2.425 -9.593 0.630 83 HG2 ARG 11 HG2 ARG 11 -4.753 -9.120 1.522 84 HG3 ARG 11 HG1 ARG 11 -5.205 -8.766 -0.149 85 HD2 ARG 11 HD2 ARG 11 -4.139 -11.352 0.961 86 HD3 ARG 11 HD1 ARG 11 -5.749 -11.047 0.313 87 HE ARG 11 HE ARG 11 -4.717 -10.781 -1.861 88 HH11 ARG 11 HH11 ARG 11 -2.800 -12.343 0.675 89 HH12 ARG 11 HH12 ARG 11 -1.801 -13.231 -0.355 90 HH21 ARG 11 HH21 ARG 11 -3.345 -12.052 -3.384 91 HH22 ARG 11 HH22 ARG 11 -2.210 -13.136 -2.734 92 H ARG 12 HN ARG 12 -1.246 -8.821 2.282 93 HA ARG 12 HA ARG 12 -2.904 -8.894 4.547 94 HB2 ARG 12 HB2 ARG 12 -1.007 -9.748 5.850 95 HB3 ARG 12 HB1 ARG 12 -1.133 -10.558 4.301 96 HG2 ARG 12 HG2 ARG 12 0.707 -9.270 3.439 97 HG3 ARG 12 HG1 ARG 12 0.718 -8.323 4.935 98 HD2 ARG 12 HD2 ARG 12 1.379 -10.301 6.204 99 HD3 ARG 12 HD1 ARG 12 1.265 -11.300 4.755 100 HE ARG 12 HE ARG 12 3.072 -9.274 4.184 101 HH11 ARG 12 HH11 ARG 12 2.969 -11.870 6.629 102 HH12 ARG 12 HH12 ARG 12 4.631 -12.177 6.574 103 HH21 ARG 12 HH21 ARG 12 5.357 -9.705 4.117 104 HH22 ARG 12 HH22 ARG 12 6.032 -10.885 5.164 105 H ALA 13 HN ALA 13 -0.454 -6.545 3.708 106 HA ALA 13 HA ALA 13 -0.556 -5.213 6.241 107 HB1 ALA 13 HB1 ALA 13 0.742 -3.468 5.168 108 HB2 ALA 13 HB2 ALA 13 0.433 -4.193 3.589 109 HB3 ALA 13 HB3 ALA 13 1.398 -5.060 4.784 110 H LEU 14 HN LEU 14 -2.249 -4.890 3.193 111 HA LEU 14 HA LEU 14 -3.447 -2.398 3.810 112 HB2 LEU 14 HB2 LEU 14 -3.143 -3.286 1.496 113 HB3 LEU 14 HB1 LEU 14 -4.356 -4.500 1.837 114 HG LEU 14 HG LEU 14 -6.065 -2.740 2.057 115 HD11 LEU 14 HD11 LEU 14 -4.627 -0.939 2.867 116 HD12 LEU 14 HD12 LEU 14 -5.531 -0.438 1.437 117 HD13 LEU 14 HD13 LEU 14 -3.826 -0.866 1.299 118 HD21 LEU 14 HD21 LEU 14 -4.446 -2.530 -0.478 119 HD22 LEU 14 HD22 LEU 14 -6.139 -2.070 -0.285 120 HD23 LEU 14 HD23 LEU 14 -5.658 -3.759 -0.121 121 H VAL 15 HN VAL 15 -4.320 -5.744 4.355 122 HA VAL 15 HA VAL 15 -6.936 -5.287 5.357 123 HB VAL 15 HB VAL 15 -4.948 -7.418 6.255 124 HG11 VAL 15 HG11 VAL 15 -6.921 -8.687 6.973 125 HG12 VAL 15 HG12 VAL 15 -7.955 -7.332 6.519 126 HG13 VAL 15 HG13 VAL 15 -6.791 -7.152 7.834 127 HG21 VAL 15 HG21 VAL 15 -6.098 -8.899 4.686 128 HG22 VAL 15 HG22 VAL 15 -5.366 -7.526 3.855 129 HG23 VAL 15 HG23 VAL 15 -7.104 -7.553 4.153 130 H GLU 16 HN GLU 16 -3.765 -5.293 6.879 131 HA GLU 16 HA GLU 16 -4.497 -4.818 9.539 132 HB2 GLU 16 HB2 GLU 16 -1.901 -4.064 8.130 133 HB3 GLU 16 HB1 GLU 16 -2.195 -3.994 9.852 134 HG2 GLU 16 HG2 GLU 16 -2.518 -6.330 10.011 135 HG3 GLU 16 HG1 GLU 16 -2.486 -6.502 8.258 136 H SER 17 HN SER 17 -4.772 -2.695 6.937 137 HA SER 17 HA SER 17 -4.271 -0.296 8.448 138 HB2 SER 17 HB2 SER 17 -5.556 -0.592 5.734 139 HB3 SER 17 HB1 SER 17 -4.796 0.851 6.411 140 HG SER 17 HG SER 17 -3.247 -1.475 6.283 141 H ALA 18 HN ALA 18 -7.182 -1.502 6.710 142 HA ALA 18 HA ALA 18 -8.912 0.170 8.275 143 HB1 ALA 18 HB1 ALA 18 -10.721 -0.810 6.979 144 HB2 ALA 18 HB2 ALA 18 -9.602 -2.009 6.318 145 HB3 ALA 18 HB3 ALA 18 -9.394 -0.302 5.931 146 H GLY 19 HN GLY 19 -7.877 -3.163 8.419 147 HA2 GLY 19 HA2 GLY 19 -8.129 -4.616 10.188 148 HA3 GLY 19 HA1 GLY 19 -9.274 -3.498 10.929 149 H GLU 20 HN GLU 20 -11.246 -3.190 9.438 150 HA GLU 20 HA GLU 20 -12.352 -5.838 8.922 151 HB2 GLU 20 HB2 GLU 20 -13.692 -3.153 9.296 152 HB3 GLU 20 HB1 GLU 20 -14.542 -4.642 8.927 153 HG2 GLU 20 HG2 GLU 20 -12.872 -4.180 11.384 154 HG3 GLU 20 HG1 GLU 20 -14.625 -4.025 11.308 155 H THR 21 HN THR 21 -11.828 -6.384 6.907 156 HA THR 21 HA THR 21 -12.732 -4.605 4.768 157 HB THR 21 HB THR 21 -11.153 -5.970 3.271 158 HG1 THR 21 HG1 THR 21 -10.511 -7.099 5.763 159 HG21 THR 21 HG21 THR 21 -9.133 -4.714 3.918 160 HG22 THR 21 HG22 THR 21 -9.884 -4.318 5.463 161 HG23 THR 21 HG23 THR 21 -10.576 -3.701 3.963 162 H ASP 22 HN ASP 22 -14.706 -5.621 5.637 163 HA ASP 22 HA ASP 22 -15.113 -8.432 5.009 164 HB2 ASP 22 HB2 ASP 22 -15.891 -7.597 7.147 165 HB3 ASP 22 HB1 ASP 22 -16.920 -6.425 6.335 166 H GLY 23 HN GLY 23 -16.566 -5.302 4.167 167 HA2 GLY 23 HA2 GLY 23 -18.069 -6.580 2.013 168 HA3 GLY 23 HA1 GLY 23 -18.203 -4.899 2.534 169 H THR 24 HN THR 24 -15.106 -5.584 2.528 170 HA THR 24 HA THR 24 -14.591 -4.618 -0.202 171 HB THR 24 HB THR 24 -12.886 -4.293 2.279 172 HG1 THR 24 HG1 THR 24 -14.745 -2.508 1.086 173 HG21 THR 24 HG21 THR 24 -12.895 -2.854 -0.383 174 HG22 THR 24 HG22 THR 24 -11.708 -4.055 0.128 175 HG23 THR 24 HG23 THR 24 -11.815 -2.507 0.967 176 H ASP 25 HN ASP 25 -14.517 -6.917 -0.888 177 HA ASP 25 HA ASP 25 -12.758 -8.728 0.376 178 HB2 ASP 25 HB2 ASP 25 -14.571 -9.561 -1.047 179 HB3 ASP 25 HB1 ASP 25 -13.795 -8.847 -2.462 180 H LEU 26 HN LEU 26 -10.737 -8.819 0.379 181 HA LEU 26 HA LEU 26 -9.177 -7.471 -1.740 182 HB2 LEU 26 HB2 LEU 26 -9.277 -6.480 0.580 183 HB3 LEU 26 HB1 LEU 26 -8.452 -7.918 1.140 184 HG LEU 26 HG LEU 26 -6.587 -7.331 -0.426 185 HD11 LEU 26 HD11 LEU 26 -8.086 -4.722 -0.558 186 HD12 LEU 26 HD12 LEU 26 -7.890 -5.862 -1.885 187 HD13 LEU 26 HD13 LEU 26 -6.480 -5.039 -1.220 188 HD21 LEU 26 HD21 LEU 26 -7.316 -5.389 1.740 189 HD22 LEU 26 HD22 LEU 26 -5.683 -5.686 1.102 190 HD23 LEU 26 HD23 LEU 26 -6.567 -6.969 1.949 191 H SER 27 HN SER 27 -10.188 -10.283 -0.921 192 HA SER 27 HA SER 27 -7.933 -11.900 -0.228 193 HB2 SER 27 HB2 SER 27 -10.528 -12.890 -1.348 194 HB3 SER 27 HB1 SER 27 -9.466 -13.655 -0.164 195 HG SER 27 HG SER 27 -11.461 -11.876 0.148 196 H GLY 28 HN GLY 28 -8.055 -10.422 -2.976 197 HA2 GLY 28 HA2 GLY 28 -6.910 -12.594 -4.470 198 HA3 GLY 28 HA1 GLY 28 -8.424 -11.983 -5.125 199 H ASP 29 HN ASP 29 -8.062 -10.738 -6.730 200 HA ASP 29 HA ASP 29 -5.552 -9.249 -6.904 201 HB2 ASP 29 HB2 ASP 29 -6.175 -10.719 -8.778 202 HB3 ASP 29 HB1 ASP 29 -7.656 -9.798 -8.999 203 H PHE 30 HN PHE 30 -5.465 -7.057 -6.924 204 HA PHE 30 HA PHE 30 -7.953 -5.531 -6.986 205 HB2 PHE 30 HB2 PHE 30 -7.548 -4.514 -4.761 206 HB3 PHE 30 HB1 PHE 30 -7.915 -6.231 -4.693 207 HD1 PHE 30 HD2 PHE 30 -6.190 -7.841 -4.034 208 HD2 PHE 30 HD1 PHE 30 -5.370 -3.667 -4.116 209 HE1 PHE 30 HE2 PHE 30 -4.168 -8.215 -2.691 210 HE2 PHE 30 HE1 PHE 30 -3.347 -4.039 -2.771 211 HZ PHE 30 HZ PHE 30 -2.745 -6.312 -2.056 212 H LEU 31 HN LEU 31 -5.059 -5.598 -8.282 213 HA LEU 31 HA LEU 31 -3.841 -3.182 -7.359 214 HB2 LEU 31 HB2 LEU 31 -3.256 -4.791 -9.848 215 HB3 LEU 31 HB1 LEU 31 -2.318 -3.419 -9.315 216 HG LEU 31 HG LEU 31 -1.083 -5.301 -8.740 217 HD11 LEU 31 HD11 LEU 31 -0.972 -5.321 -6.305 218 HD12 LEU 31 HD12 LEU 31 -2.480 -4.406 -6.249 219 HD13 LEU 31 HD13 LEU 31 -1.044 -3.695 -6.989 220 HD21 LEU 31 HD21 LEU 31 -1.919 -7.208 -7.461 221 HD22 LEU 31 HD22 LEU 31 -2.776 -7.009 -8.990 222 HD23 LEU 31 HD23 LEU 31 -3.536 -6.507 -7.481 223 H ASP 32 HN ASP 32 -6.229 -3.865 -9.680 224 HA ASP 32 HA ASP 32 -5.873 -1.309 -11.067 225 HB2 ASP 32 HB2 ASP 32 -7.468 -2.098 -12.675 226 HB3 ASP 32 HB1 ASP 32 -6.328 -3.400 -12.364 227 H LEU 33 HN LEU 33 -7.377 -2.318 -8.341 228 HA LEU 33 HA LEU 33 -9.892 -0.995 -8.690 229 HB2 LEU 33 HB2 LEU 33 -8.555 -2.336 -6.369 230 HB3 LEU 33 HB1 LEU 33 -10.012 -1.387 -6.150 231 HG LEU 33 HG LEU 33 -9.829 -3.773 -8.000 232 HD11 LEU 33 HD11 LEU 33 -10.961 -3.551 -5.204 233 HD12 LEU 33 HD12 LEU 33 -9.508 -4.440 -5.655 234 HD13 LEU 33 HD13 LEU 33 -11.081 -4.957 -6.260 235 HD21 LEU 33 HD21 LEU 33 -12.277 -3.603 -7.940 236 HD22 LEU 33 HD22 LEU 33 -11.540 -2.122 -8.571 237 HD23 LEU 33 HD23 LEU 33 -12.130 -2.175 -6.911 238 H ARG 34 HN ARG 34 -10.358 1.012 -8.301 239 HA ARG 34 HA ARG 34 -8.393 2.878 -7.438 240 HB2 ARG 34 HB2 ARG 34 -11.382 3.080 -7.801 241 HB3 ARG 34 HB1 ARG 34 -10.434 4.410 -7.171 242 HG2 ARG 34 HG2 ARG 34 -10.143 3.151 -9.889 243 HG3 ARG 34 HG1 ARG 34 -10.925 4.694 -9.526 244 HD2 ARG 34 HD2 ARG 34 -8.660 5.306 -8.444 245 HD3 ARG 34 HD1 ARG 34 -8.041 3.945 -9.368 246 HE ARG 34 HE ARG 34 -9.503 6.091 -10.706 247 HH11 ARG 34 HH11 ARG 34 -6.690 4.026 -10.505 248 HH12 ARG 34 HH12 ARG 34 -5.695 4.971 -11.516 249 HH21 ARG 34 HH21 ARG 34 -8.266 7.332 -12.227 250 HH22 ARG 34 HH22 ARG 34 -6.662 6.855 -12.639 251 H PHE 35 HN PHE 35 -8.513 4.091 -5.448 252 HA PHE 35 HA PHE 35 -9.080 2.354 -3.275 253 HB2 PHE 35 HB2 PHE 35 -8.100 5.204 -3.327 254 HB3 PHE 35 HB1 PHE 35 -8.291 4.255 -1.851 255 HD1 PHE 35 HD2 PHE 35 -7.044 1.923 -1.810 256 HD2 PHE 35 HD1 PHE 35 -6.115 5.139 -4.461 257 HE1 PHE 35 HE2 PHE 35 -4.832 1.005 -2.161 258 HE2 PHE 35 HE1 PHE 35 -3.878 4.197 -4.803 259 HZ PHE 35 HZ PHE 35 -3.282 2.009 -3.619 260 H GLU 36 HN GLU 36 -10.778 4.798 -4.893 261 HA GLU 36 HA GLU 36 -12.646 5.498 -2.889 262 HB2 GLU 36 HB2 GLU 36 -12.161 6.527 -5.235 263 HB3 GLU 36 HB1 GLU 36 -13.312 5.333 -5.812 264 HG2 GLU 36 HG2 GLU 36 -14.455 7.383 -5.486 265 HG3 GLU 36 HG1 GLU 36 -14.967 6.267 -4.216 266 H ASP 37 HN ASP 37 -12.553 3.002 -5.406 267 HA ASP 37 HA ASP 37 -15.089 1.858 -5.095 268 HB2 ASP 37 HB2 ASP 37 -12.487 0.649 -6.056 269 HB3 ASP 37 HB1 ASP 37 -13.986 -0.263 -6.012 270 H ILE 38 HN ILE 38 -12.074 1.220 -3.450 271 HA ILE 38 HA ILE 38 -13.416 -0.824 -1.892 272 HB ILE 38 HB ILE 38 -11.144 -1.355 -0.951 273 HG12 ILE 38 HG12 ILE 38 -10.202 0.488 -3.158 274 HG13 ILE 38 HG11 ILE 38 -10.135 0.888 -1.453 275 HG21 ILE 38 HG21 ILE 38 -10.403 -2.482 -3.016 276 HG22 ILE 38 HG22 ILE 38 -11.534 -1.463 -3.926 277 HG23 ILE 38 HG23 ILE 38 -12.148 -2.622 -2.751 278 HD11 ILE 38 HD11 ILE 38 -8.668 -1.365 -2.822 279 HD12 ILE 38 HD12 ILE 38 -8.590 -0.995 -1.099 280 HD13 ILE 38 HD13 ILE 38 -7.966 0.160 -2.278 281 H GLY 39 HN GLY 39 -13.554 2.189 -1.653 282 HA2 GLY 39 HA2 GLY 39 -14.076 3.688 0.012 283 HA3 GLY 39 HA1 GLY 39 -14.368 2.284 1.022 284 H TYR 40 HN TYR 40 -11.356 3.312 -0.425 285 HA TYR 40 HA TYR 40 -10.235 3.368 2.259 286 HB2 TYR 40 HB2 TYR 40 -9.317 2.182 -0.191 287 HB3 TYR 40 HB1 TYR 40 -8.117 3.305 0.449 288 HD1 TYR 40 HD2 TYR 40 -9.991 0.211 1.105 289 HD2 TYR 40 HD1 TYR 40 -7.027 2.908 2.514 290 HE1 TYR 40 HE2 TYR 40 -9.306 -1.431 2.809 291 HE2 TYR 40 HE1 TYR 40 -6.335 1.283 4.209 292 HH TYR 40 HH TYR 40 -7.140 -1.891 4.174 293 H ASP 41 HN ASP 41 -9.607 5.107 3.073 294 HA ASP 41 HA ASP 41 -9.417 7.602 1.613 295 HB2 ASP 41 HB2 ASP 41 -8.685 6.919 4.477 296 HB3 ASP 41 HB1 ASP 41 -8.659 8.533 3.790 297 H SER 42 HN SER 42 -7.437 8.813 1.506 298 HA SER 42 HA SER 42 -5.143 7.187 1.011 299 HB2 SER 42 HB2 SER 42 -4.020 9.202 0.414 300 HB3 SER 42 HB1 SER 42 -5.693 9.459 -0.088 301 H LEU 43 HN LEU 43 -6.387 9.119 3.613 302 HA LEU 43 HA LEU 43 -4.266 9.124 5.418 303 HB2 LEU 43 HB2 LEU 43 -7.226 8.858 5.942 304 HB3 LEU 43 HB1 LEU 43 -6.040 9.132 7.198 305 HG LEU 43 HG LEU 43 -6.573 11.031 4.910 306 HD11 LEU 43 HD11 LEU 43 -8.484 10.878 6.432 307 HD12 LEU 43 HD12 LEU 43 -7.653 12.423 6.596 308 HD13 LEU 43 HD13 LEU 43 -7.413 11.160 7.803 309 HD21 LEU 43 HD21 LEU 43 -4.937 11.315 7.426 310 HD22 LEU 43 HD22 LEU 43 -5.223 12.579 6.229 311 HD23 LEU 43 HD23 LEU 43 -4.297 11.145 5.791 312 H ALA 44 HN ALA 44 -6.611 6.611 4.702 313 HA ALA 44 HA ALA 44 -5.692 4.821 6.717 314 HB1 ALA 44 HB1 ALA 44 -7.968 4.687 5.814 315 HB2 ALA 44 HB2 ALA 44 -7.105 3.162 5.600 316 HB3 ALA 44 HB3 ALA 44 -7.315 4.257 4.233 317 H LEU 45 HN LEU 45 -4.909 5.432 3.379 318 HA LEU 45 HA LEU 45 -3.268 3.169 2.921 319 HB2 LEU 45 HB2 LEU 45 -3.214 5.908 1.666 320 HB3 LEU 45 HB1 LEU 45 -2.319 4.526 1.070 321 HG LEU 45 HG LEU 45 -5.319 4.713 1.220 322 HD11 LEU 45 HD11 LEU 45 -4.366 6.219 -0.452 323 HD12 LEU 45 HD12 LEU 45 -5.194 4.862 -1.213 324 HD13 LEU 45 HD13 LEU 45 -3.431 4.886 -1.127 325 HD21 LEU 45 HD21 LEU 45 -3.492 2.645 0.024 326 HD22 LEU 45 HD22 LEU 45 -5.250 2.653 -0.095 327 HD23 LEU 45 HD23 LEU 45 -4.471 2.438 1.477 328 H MET 46 HN MET 46 -2.761 6.192 4.482 329 HA MET 46 HA MET 46 0.077 6.137 4.559 330 HB2 MET 46 HB2 MET 46 -1.879 7.491 6.441 331 HB3 MET 46 HB1 MET 46 -0.150 7.801 6.393 332 HG2 MET 46 HG2 MET 46 -0.313 8.717 4.177 333 HG3 MET 46 HG1 MET 46 -2.005 8.252 4.063 334 HE1 MET 46 HE1 MET 46 -1.133 11.138 3.327 335 HE2 MET 46 HE2 MET 46 -2.342 12.110 4.167 336 HE3 MET 46 HE3 MET 46 -2.817 10.617 3.357 337 H GLU 47 HN GLU 47 -2.439 4.602 6.352 338 HA GLU 47 HA GLU 47 -0.751 3.716 8.507 339 HB2 GLU 47 HB2 GLU 47 -3.260 4.109 8.688 340 HB3 GLU 47 HB1 GLU 47 -3.482 2.669 7.707 341 HG2 GLU 47 HG2 GLU 47 -3.781 2.116 10.022 342 HG3 GLU 47 HG1 GLU 47 -2.304 1.356 9.427 343 H THR 48 HN THR 48 -2.063 2.481 5.477 344 HA THR 48 HA THR 48 -1.213 -0.158 5.493 345 HB THR 48 HB THR 48 -1.172 1.744 3.136 346 HG1 THR 48 HG1 THR 48 -3.263 0.479 4.542 347 HG21 THR 48 HG21 THR 48 -1.807 -0.257 1.864 348 HG22 THR 48 HG22 THR 48 -1.769 -1.213 3.343 349 HG23 THR 48 HG23 THR 48 -0.274 -0.513 2.706 350 H ALA 49 HN ALA 49 0.390 2.735 4.198 351 HA ALA 49 HA ALA 49 2.832 1.619 3.498 352 HB1 ALA 49 HB1 ALA 49 2.114 3.860 2.802 353 HB2 ALA 49 HB2 ALA 49 3.706 3.908 3.557 354 HB3 ALA 49 HB3 ALA 49 2.286 4.433 4.461 355 H ALA 50 HN ALA 50 1.769 3.061 6.549 356 HA ALA 50 HA ALA 50 4.114 3.023 8.006 357 HB1 ALA 50 HB1 ALA 50 2.723 3.005 9.987 358 HB2 ALA 50 HB2 ALA 50 1.340 2.471 9.031 359 HB3 ALA 50 HB3 ALA 50 2.038 4.069 8.757 360 H ARG 51 HN ARG 51 1.755 0.423 7.576 361 HA ARG 51 HA ARG 51 2.838 -1.462 9.384 362 HB2 ARG 51 HB2 ARG 51 1.537 -2.127 6.727 363 HB3 ARG 51 HB1 ARG 51 1.699 -3.189 8.104 364 HG2 ARG 51 HG2 ARG 51 -0.081 -0.767 7.880 365 HG3 ARG 51 HG1 ARG 51 -0.583 -2.452 7.835 366 HD2 ARG 51 HD2 ARG 51 -1.046 -2.044 10.010 367 HD3 ARG 51 HD1 ARG 51 0.663 -2.423 10.205 368 HE ARG 51 HE ARG 51 0.026 0.356 9.728 369 HH11 ARG 51 HH11 ARG 51 0.724 -2.128 12.189 370 HH12 ARG 51 HH12 ARG 51 1.053 -0.976 13.413 371 HH21 ARG 51 HH21 ARG 51 0.283 1.871 11.466 372 HH22 ARG 51 HH22 ARG 51 0.739 1.345 13.014 373 H LEU 52 HN LEU 52 3.184 -1.195 5.932 374 HA LEU 52 HA LEU 52 5.241 -3.095 5.701 375 HB2 LEU 52 HB2 LEU 52 4.284 -1.024 3.755 376 HB3 LEU 52 HB1 LEU 52 5.532 -2.197 3.365 377 HG LEU 52 HG LEU 52 2.729 -2.912 4.234 378 HD11 LEU 52 HD11 LEU 52 2.720 -1.882 2.027 379 HD12 LEU 52 HD12 LEU 52 2.369 -3.610 1.940 380 HD13 LEU 52 HD13 LEU 52 3.965 -3.011 1.493 381 HD21 LEU 52 HD21 LEU 52 3.366 -5.164 3.511 382 HD22 LEU 52 HD22 LEU 52 4.343 -4.585 4.856 383 HD23 LEU 52 HD23 LEU 52 5.012 -4.594 3.228 384 H GLU 53 HN GLU 53 5.528 0.389 6.259 385 HA GLU 53 HA GLU 53 8.238 0.642 5.620 386 HB2 GLU 53 HB2 GLU 53 6.692 2.041 7.804 387 HB3 GLU 53 HB1 GLU 53 8.347 2.426 7.397 388 HG2 GLU 53 HG2 GLU 53 7.543 2.991 5.093 389 HG3 GLU 53 HG1 GLU 53 5.895 2.806 5.710 390 H SER 54 HN SER 54 6.787 -0.167 8.762 391 HA SER 54 HA SER 54 9.225 -0.607 10.108 392 HB2 SER 54 HB2 SER 54 6.510 -1.808 10.695 393 HB3 SER 54 HB1 SER 54 7.851 -1.646 11.826 394 HG SER 54 HG SER 54 7.322 0.794 10.819 395 H ARG 55 HN ARG 55 7.385 -2.536 7.947 396 HA ARG 55 HA ARG 55 8.371 -5.070 8.826 397 HB2 ARG 55 HB2 ARG 55 6.155 -4.733 7.791 398 HB3 ARG 55 HB1 ARG 55 6.950 -4.361 6.275 399 HG2 ARG 55 HG2 ARG 55 7.806 -6.594 6.112 400 HG3 ARG 55 HG1 ARG 55 7.194 -6.991 7.723 401 HD2 ARG 55 HD2 ARG 55 5.563 -6.270 5.292 402 HD3 ARG 55 HD1 ARG 55 5.661 -7.852 6.073 403 HE ARG 55 HE ARG 55 4.907 -6.073 8.024 404 HH11 ARG 55 HH11 ARG 55 3.452 -7.186 4.945 405 HH12 ARG 55 HH12 ARG 55 1.874 -6.977 5.532 406 HH21 ARG 55 HH21 ARG 55 2.799 -5.732 8.717 407 HH22 ARG 55 HH22 ARG 55 1.474 -6.182 7.766 408 H TYR 56 HN TYR 56 9.134 -2.902 6.109 409 HA TYR 56 HA TYR 56 11.317 -4.758 5.509 410 HB2 TYR 56 HB2 TYR 56 9.677 -3.125 3.622 411 HB3 TYR 56 HB1 TYR 56 11.263 -3.742 3.159 412 HD1 TYR 56 HD1 TYR 56 7.860 -4.708 4.162 413 HD2 TYR 56 HD2 TYR 56 11.616 -6.047 2.717 414 HE1 TYR 56 HE1 TYR 56 6.889 -6.909 3.689 415 HE2 TYR 56 HE2 TYR 56 10.658 -8.251 2.234 416 HH TYR 56 HH TYR 56 7.227 -8.813 2.494 417 H GLY 57 HN GLY 57 10.922 -1.728 6.782 418 HA2 GLY 57 HA2 GLY 57 12.616 -0.344 7.491 419 HA3 GLY 57 HA1 GLY 57 13.767 -1.334 6.607 420 H VAL 58 HN VAL 58 10.913 0.383 5.500 421 HA VAL 58 HA VAL 58 12.640 1.894 3.682 422 HB VAL 58 HB VAL 58 10.698 2.154 2.148 423 HG11 VAL 58 HG11 VAL 58 12.269 0.333 1.762 424 HG12 VAL 58 HG12 VAL 58 10.628 -0.146 1.313 425 HG13 VAL 58 HG13 VAL 58 11.325 -0.709 2.829 426 HG21 VAL 58 HG21 VAL 58 9.311 0.241 4.023 427 HG22 VAL 58 HG22 VAL 58 8.702 0.762 2.453 428 HG23 VAL 58 HG23 VAL 58 8.878 1.935 3.766 429 H SER 59 HN SER 59 11.390 4.051 2.940 430 HA SER 59 HA SER 59 10.168 5.223 5.309 431 HB2 SER 59 HB2 SER 59 12.563 5.859 5.312 432 HB3 SER 59 HB1 SER 59 12.412 6.448 3.660 433 HG SER 59 HG SER 59 11.933 7.770 5.939 434 H ILE 60 HN ILE 60 8.221 5.644 4.629 435 HA ILE 60 HA ILE 60 7.866 6.946 2.012 436 HB ILE 60 HB ILE 60 5.954 4.982 3.325 437 HG12 ILE 60 HG12 ILE 60 7.608 4.659 0.807 438 HG13 ILE 60 HG11 ILE 60 7.978 3.915 2.358 439 HG21 ILE 60 HG21 ILE 60 5.782 6.409 0.663 440 HG22 ILE 60 HG22 ILE 60 4.788 6.732 2.081 441 HG23 ILE 60 HG23 ILE 60 4.653 5.183 1.245 442 HD11 ILE 60 HD11 ILE 60 5.886 2.664 2.238 443 HD12 ILE 60 HD12 ILE 60 6.944 2.348 0.863 444 HD13 ILE 60 HD13 ILE 60 5.543 3.407 0.671 445 HA PRO 61 HA PRO 61 6.383 10.010 5.041 446 HB2 PRO 61 HB2 PRO 61 6.071 11.482 2.469 447 HB3 PRO 61 HB1 PRO 61 6.828 12.011 3.975 448 HG2 PRO 61 HG2 PRO 61 8.323 11.354 1.884 449 HG3 PRO 61 HG1 PRO 61 8.814 10.893 3.525 450 HD2 PRO 61 HD2 PRO 61 7.572 9.224 1.377 451 HD3 PRO 61 HD1 PRO 61 8.850 8.803 2.537 452 H ASP 62 HN ASP 62 4.347 10.713 5.489 453 HA ASP 62 HA ASP 62 2.220 9.075 4.777 454 HB2 ASP 62 HB2 ASP 62 2.139 11.834 5.999 455 HB3 ASP 62 HB1 ASP 62 0.720 10.820 5.814 456 H ASP 63 HN ASP 63 3.062 12.201 3.448 457 HA ASP 63 HA ASP 63 0.724 12.704 1.957 458 HB2 ASP 63 HB2 ASP 63 2.443 14.413 2.332 459 HB3 ASP 63 HB1 ASP 63 3.545 13.540 1.273 460 H VAL 64 HN VAL 64 3.392 10.607 1.300 461 HA VAL 64 HA VAL 64 3.026 10.450 -1.513 462 HB VAL 64 HB VAL 64 4.415 8.538 0.346 463 HG11 VAL 64 HG11 VAL 64 5.755 7.910 -1.662 464 HG12 VAL 64 HG12 VAL 64 4.764 8.995 -2.635 465 HG13 VAL 64 HG13 VAL 64 4.038 7.573 -1.887 466 HG21 VAL 64 HG21 VAL 64 5.330 10.754 0.611 467 HG22 VAL 64 HG22 VAL 64 5.528 10.918 -1.135 468 HG23 VAL 64 HG23 VAL 64 6.493 9.741 -0.243 469 H ALA 65 HN ALA 65 1.492 8.970 1.178 470 HA ALA 65 HA ALA 65 0.430 6.749 -0.316 471 HB1 ALA 65 HB1 ALA 65 -0.958 6.351 1.660 472 HB2 ALA 65 HB2 ALA 65 -0.446 7.899 2.329 473 HB3 ALA 65 HB3 ALA 65 0.727 6.597 2.119 474 H GLY 66 HN GLY 66 -0.461 9.989 0.490 475 HA2 GLY 66 HA2 GLY 66 -3.074 9.783 -0.793 476 HA3 GLY 66 HA1 GLY 66 -2.386 11.234 -0.051 477 H ARG 67 HN ARG 67 -1.605 8.970 -2.559 478 HA ARG 67 HA ARG 67 -1.177 10.926 -4.617 479 HB2 ARG 67 HB2 ARG 67 0.765 11.432 -3.298 480 HB3 ARG 67 HB1 ARG 67 1.140 9.729 -3.139 481 HG2 ARG 67 HG2 ARG 67 1.704 9.633 -5.506 482 HG3 ARG 67 HG1 ARG 67 1.338 11.362 -5.649 483 HD2 ARG 67 HD2 ARG 67 3.056 11.956 -4.164 484 HD3 ARG 67 HD1 ARG 67 3.274 10.294 -3.634 485 HE ARG 67 HE ARG 67 3.768 10.523 -6.390 486 HH11 ARG 67 HH11 ARG 67 5.193 11.726 -3.388 487 HH12 ARG 67 HH12 ARG 67 6.799 11.328 -3.789 488 HH21 ARG 67 HH21 ARG 67 5.989 9.995 -6.999 489 HH22 ARG 67 HH22 ARG 67 7.270 10.336 -5.942 490 H VAL 68 HN VAL 68 -0.679 7.661 -3.323 491 HA VAL 68 HA VAL 68 -0.015 6.512 -5.792 492 HB VAL 68 HB VAL 68 -0.488 4.319 -4.699 493 HG11 VAL 68 HG11 VAL 68 1.687 5.354 -4.524 494 HG12 VAL 68 HG12 VAL 68 1.290 4.502 -3.029 495 HG13 VAL 68 HG13 VAL 68 1.161 6.261 -3.104 496 HG21 VAL 68 HG21 VAL 68 -1.230 6.008 -2.300 497 HG22 VAL 68 HG22 VAL 68 -1.026 4.255 -2.301 498 HG23 VAL 68 HG23 VAL 68 -2.337 4.993 -3.225 499 H ASP 69 HN ASP 69 -1.161 6.444 -7.448 500 HA ASP 69 HA ASP 69 -3.910 6.933 -7.680 501 HB2 ASP 69 HB2 ASP 69 -2.232 7.248 -9.506 502 HB3 ASP 69 HB1 ASP 69 -2.110 5.508 -9.655 503 H THR 70 HN THR 70 -2.137 3.901 -7.554 504 HA THR 70 HA THR 70 -4.664 2.471 -7.221 505 HB THR 70 HB THR 70 -3.800 0.683 -8.712 506 HG1 THR 70 HG1 THR 70 -1.943 2.317 -9.973 507 HG21 THR 70 HG21 THR 70 -5.353 2.354 -9.627 508 HG22 THR 70 HG22 THR 70 -4.193 1.847 -10.864 509 HG23 THR 70 HG23 THR 70 -3.990 3.395 -10.031 510 HA PRO 71 HA PRO 71 -2.245 0.123 -4.214 511 HB2 PRO 71 HB2 PRO 71 -3.153 -2.369 -5.574 512 HB3 PRO 71 HB1 PRO 71 -3.303 -1.907 -3.873 513 HG2 PRO 71 HG2 PRO 71 -5.431 -1.851 -5.441 514 HG3 PRO 71 HG1 PRO 71 -5.149 -0.545 -4.271 515 HD2 PRO 71 HD2 PRO 71 -4.645 -0.584 -7.223 516 HD3 PRO 71 HD1 PRO 71 -5.371 0.698 -6.227 517 H ARG 72 HN ARG 72 -2.122 -0.628 -7.617 518 HA ARG 72 HA ARG 72 0.304 -2.095 -7.637 519 HB2 ARG 72 HB2 ARG 72 -1.246 -2.076 -9.568 520 HB3 ARG 72 HB1 ARG 72 -0.903 -0.372 -9.820 521 HG2 ARG 72 HG2 ARG 72 1.440 -0.909 -10.277 522 HG3 ARG 72 HG1 ARG 72 1.091 -2.617 -10.037 523 HD2 ARG 72 HD2 ARG 72 -0.077 -0.830 -12.166 524 HD3 ARG 72 HD1 ARG 72 1.156 -2.067 -12.404 525 HE ARG 72 HE ARG 72 -1.687 -2.442 -11.957 526 HH11 ARG 72 HH11 ARG 72 1.507 -4.001 -12.276 527 HH12 ARG 72 HH12 ARG 72 0.875 -5.527 -12.668 528 HH21 ARG 72 HH21 ARG 72 -2.533 -4.560 -12.558 529 HH22 ARG 72 HH22 ARG 72 -1.452 -5.829 -12.907 530 H GLU 73 HN GLU 73 -0.501 1.315 -7.998 531 HA GLU 73 HA GLU 73 2.037 2.399 -8.446 532 HB2 GLU 73 HB2 GLU 73 -0.210 3.563 -8.542 533 HB3 GLU 73 HB1 GLU 73 -0.176 3.624 -6.790 534 HG2 GLU 73 HG2 GLU 73 0.511 5.745 -7.608 535 HG3 GLU 73 HG1 GLU 73 1.930 4.934 -6.956 536 H LEU 74 HN LEU 74 0.291 1.730 -5.466 537 HA LEU 74 HA LEU 74 2.226 2.676 -3.640 538 HB2 LEU 74 HB2 LEU 74 -0.258 2.225 -3.212 539 HB3 LEU 74 HB1 LEU 74 0.127 0.531 -3.177 540 HG LEU 74 HG LEU 74 -0.250 1.552 -0.938 541 HD11 LEU 74 HD11 LEU 74 1.643 0.567 0.211 542 HD12 LEU 74 HD12 LEU 74 2.506 0.441 -1.322 543 HD13 LEU 74 HD13 LEU 74 1.022 -0.480 -1.065 544 HD21 LEU 74 HD21 LEU 74 2.318 3.022 -1.487 545 HD22 LEU 74 HD22 LEU 74 1.479 2.959 0.063 546 HD23 LEU 74 HD23 LEU 74 0.716 3.737 -1.324 547 H LEU 75 HN LEU 75 1.577 -0.546 -4.963 548 HA LEU 75 HA LEU 75 3.529 -2.009 -3.584 549 HB2 LEU 75 HB2 LEU 75 1.676 -2.985 -4.906 550 HB3 LEU 75 HB1 LEU 75 2.443 -2.425 -6.375 551 HG LEU 75 HG LEU 75 4.355 -3.938 -5.915 552 HD11 LEU 75 HD11 LEU 75 4.138 -4.069 -3.503 553 HD12 LEU 75 HD12 LEU 75 4.097 -5.676 -4.227 554 HD13 LEU 75 HD13 LEU 75 2.602 -4.919 -3.676 555 HD21 LEU 75 HD21 LEU 75 2.543 -4.636 -7.388 556 HD22 LEU 75 HD22 LEU 75 1.648 -5.264 -6.004 557 HD23 LEU 75 HD23 LEU 75 3.179 -6.005 -6.475 558 H ASP 76 HN ASP 76 3.599 -0.450 -6.742 559 HA ASP 76 HA ASP 76 6.204 -1.021 -7.569 560 HB2 ASP 76 HB2 ASP 76 4.454 -0.107 -9.034 561 HB3 ASP 76 HB1 ASP 76 4.496 1.411 -8.150 562 H LEU 77 HN LEU 77 4.929 1.738 -5.792 563 HA LEU 77 HA LEU 77 7.164 3.305 -5.426 564 HB2 LEU 77 HB2 LEU 77 4.964 3.999 -4.761 565 HB3 LEU 77 HB1 LEU 77 4.863 2.712 -3.581 566 HG LEU 77 HG LEU 77 6.734 3.824 -2.340 567 HD11 LEU 77 HD11 LEU 77 7.672 5.139 -4.137 568 HD12 LEU 77 HD12 LEU 77 7.182 6.174 -2.795 569 HD13 LEU 77 HD13 LEU 77 6.187 6.083 -4.250 570 HD21 LEU 77 HD21 LEU 77 4.420 4.016 -1.649 571 HD22 LEU 77 HD22 LEU 77 4.191 5.387 -2.734 572 HD23 LEU 77 HD23 LEU 77 5.283 5.525 -1.357 573 H ILE 78 HN ILE 78 5.965 0.747 -3.260 574 HA ILE 78 HA ILE 78 8.196 0.944 -1.520 575 HB ILE 78 HB ILE 78 6.341 -1.444 -1.764 576 HG12 ILE 78 HG12 ILE 78 6.113 1.056 -0.081 577 HG13 ILE 78 HG11 ILE 78 5.078 0.623 -1.432 578 HG21 ILE 78 HG21 ILE 78 6.985 -1.794 0.602 579 HG22 ILE 78 HG22 ILE 78 8.083 -0.418 0.495 580 HG23 ILE 78 HG23 ILE 78 8.386 -1.865 -0.469 581 HD11 ILE 78 HD11 ILE 78 3.996 0.189 0.694 582 HD12 ILE 78 HD12 ILE 78 5.315 -0.893 1.148 583 HD13 ILE 78 HD13 ILE 78 4.266 -1.303 -0.205 584 H ASN 79 HN ASN 79 7.470 -1.121 -4.271 585 HA ASN 79 HA ASN 79 9.719 -2.806 -3.947 586 HB2 ASN 79 HB2 ASN 79 8.026 -2.170 -6.353 587 HB3 ASN 79 HB1 ASN 79 9.489 -3.126 -6.524 588 HD21 ASN 79 HD21 ASN 79 7.363 -3.293 -3.713 589 HD22 ASN 79 HD22 ASN 79 6.806 -4.903 -4.021 590 H GLY 80 HN GLY 80 9.363 0.336 -5.371 591 HA2 GLY 80 HA2 GLY 80 11.956 0.462 -6.512 592 HA3 GLY 80 HA1 GLY 80 10.933 1.835 -6.098 593 H ALA 81 HN ALA 81 10.599 1.532 -3.439 594 HA ALA 81 HA ALA 81 12.948 2.583 -2.323 595 HB1 ALA 81 HB1 ALA 81 10.583 1.368 -0.892 596 HB2 ALA 81 HB2 ALA 81 10.702 3.038 -1.443 597 HB3 ALA 81 HB3 ALA 81 11.782 2.446 -0.182 598 H LEU 82 HN LEU 82 11.710 -0.666 -2.444 599 HA LEU 82 HA LEU 82 13.652 -1.776 -0.682 600 HB2 LEU 82 HB2 LEU 82 11.774 -3.019 -2.668 601 HB3 LEU 82 HB1 LEU 82 12.850 -3.960 -1.653 602 HG LEU 82 HG LEU 82 10.733 -2.089 -0.599 603 HD11 LEU 82 HD11 LEU 82 9.493 -4.118 -0.036 604 HD12 LEU 82 HD12 LEU 82 10.718 -5.093 -0.849 605 HD13 LEU 82 HD13 LEU 82 9.723 -3.973 -1.779 606 HD21 LEU 82 HD21 LEU 82 12.453 -4.166 0.740 607 HD22 LEU 82 HD22 LEU 82 11.187 -3.211 1.515 608 HD23 LEU 82 HD23 LEU 82 12.633 -2.419 0.886 609 H ALA 83 HN ALA 83 13.451 -1.204 -4.115 610 HA ALA 83 HA ALA 83 15.641 -2.854 -4.880 611 HB1 ALA 83 HB1 ALA 83 15.534 -1.669 -7.019 612 HB2 ALA 83 HB2 ALA 83 14.457 -0.467 -6.306 613 HB3 ALA 83 HB3 ALA 83 13.919 -2.136 -6.482 614 H GLU 84 HN GLU 84 15.293 0.432 -3.793 615 HA GLU 84 HA GLU 84 18.101 0.999 -4.245 616 HB2 GLU 84 HB2 GLU 84 17.573 3.237 -3.312 617 HB3 GLU 84 HB1 GLU 84 16.569 2.810 -4.689 618 HG2 GLU 84 HG2 GLU 84 14.740 2.251 -3.185 619 HG3 GLU 84 HG1 GLU 84 15.755 2.650 -1.801 620 H ALA 85 HN ALA 85 16.691 -0.863 -2.135 621 HA ALA 85 HA ALA 85 18.301 0.014 0.159 622 HB1 ALA 85 HB1 ALA 85 15.912 -0.300 0.642 623 HB2 ALA 85 HB2 ALA 85 16.895 -1.483 1.506 624 HB3 ALA 85 HB3 ALA 85 16.010 -1.961 0.058 625 H ALA 86 HN ALA 86 18.732 -1.690 -2.460 626 HA ALA 86 HA ALA 86 20.353 -3.721 -1.122 627 HB1 ALA 86 HB1 ALA 86 18.361 -4.820 -2.037 628 HB2 ALA 86 HB2 ALA 86 19.808 -5.300 -2.924 629 HB3 ALA 86 HB3 ALA 86 18.698 -4.122 -3.622 630 H28 SXV 87 H28A SXV 87 -3.958 12.657 1.951 631 H28A SXV 87 H28B SXV 87 -5.015 13.552 0.856 632 H30 SXV 87 H30C SXV 87 -3.664 13.423 4.226 633 H30A SXV 87 H30A SXV 87 -5.367 13.759 4.491 634 H30B SXV 87 H30B SXV 87 -4.152 15.028 4.741 635 H31 SXV 87 H31C SXV 87 -3.076 16.121 2.791 636 H31A SXV 87 H31A SXV 87 -3.322 15.465 1.170 637 H31B SXV 87 H31B SXV 87 -2.442 14.526 2.378 638 H32 SXV 87 H32A SXV 87 -6.706 15.103 2.747 639 HO33 SXV 87 H33A SXV 87 -5.774 16.841 1.053 640 HN36 SXV 87 H36A SXV 87 -5.950 16.066 4.886 641 H37 SXV 87 H37B SXV 87 -6.490 18.723 5.120 642 H37A SXV 87 H37A SXV 87 -4.733 18.638 5.050 643 H38 SXV 87 H38B SXV 87 -4.725 17.141 6.970 644 H38A SXV 87 H38A SXV 87 -6.495 17.090 6.938 645 HN41 SXV 87 H41A SXV 87 -5.941 17.576 9.183 646 H42 SXV 87 H42B SXV 87 -6.461 20.367 9.746 647 H42A SXV 87 H42A SXV 87 -5.028 19.587 10.465 648 H43 SXV 87 H43B SXV 87 -6.773 19.287 12.060 649 H43A SXV 87 H43A SXV 87 -7.875 18.756 10.766 650 H1 SXV 87 H1B SXV 87 -7.536 17.170 13.368 651 H1A SXV 87 H1A SXV 87 -8.550 16.517 12.069 652 H2 SXV 87 H2A SXV 87 -7.416 14.392 12.145 653 H2A SXV 87 H2B SXV 87 -8.171 14.812 13.673 654 H4 SXV 87 H4C SXV 87 -5.582 15.200 15.764 655 H4A SXV 87 H4A SXV 87 -6.499 16.494 14.987 656 H4B SXV 87 H4B SXV 87 -4.779 16.291 14.629 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 19.555 -9.314 -5.653 2 H2 MET 1 HT2 MET 1 20.100 -7.741 -5.457 3 H3 MET 1 HT3 MET 1 20.016 -8.408 -7.015 4 HA MET 1 HA MET 1 18.232 -6.841 -6.541 5 HB2 MET 1 HB2 MET 1 16.386 -8.224 -7.317 6 HB3 MET 1 HB1 MET 1 17.849 -8.781 -8.102 7 HG2 MET 1 HG2 MET 1 17.969 -10.648 -6.504 8 HG3 MET 1 HG1 MET 1 16.477 -10.087 -5.758 9 HE1 MET 1 HE1 MET 1 17.438 -10.175 -9.591 10 HE2 MET 1 HE2 MET 1 16.775 -11.738 -10.067 11 HE3 MET 1 HE3 MET 1 18.136 -11.662 -8.950 12 H ALA 2 HN ALA 2 15.802 -7.217 -5.475 13 HA ALA 2 HA ALA 2 16.310 -7.890 -2.663 14 HB1 ALA 2 HB1 ALA 2 16.358 -5.452 -2.931 15 HB2 ALA 2 HB2 ALA 2 14.940 -5.960 -2.013 16 HB3 ALA 2 HB3 ALA 2 14.776 -5.504 -3.710 17 H THR 3 HN THR 3 14.377 -8.517 -1.509 18 HA THR 3 HA THR 3 12.524 -9.994 -3.136 19 HB THR 3 HB THR 3 12.433 -9.339 -0.241 20 HG1 THR 3 HG1 THR 3 13.894 -11.252 -1.714 21 HG21 THR 3 HG21 THR 3 11.196 -11.603 -1.812 22 HG22 THR 3 HG22 THR 3 10.340 -10.238 -1.096 23 HG23 THR 3 HG23 THR 3 11.113 -11.437 -0.058 24 H LEU 4 HN LEU 4 11.099 -8.776 -4.239 25 HA LEU 4 HA LEU 4 10.140 -6.293 -3.139 26 HB2 LEU 4 HB2 LEU 4 9.405 -7.696 -5.706 27 HB3 LEU 4 HB1 LEU 4 9.019 -6.041 -5.278 28 HG LEU 4 HG LEU 4 11.760 -7.150 -5.854 29 HD11 LEU 4 HD11 LEU 4 10.412 -6.866 -7.834 30 HD12 LEU 4 HD12 LEU 4 11.687 -5.647 -7.777 31 HD13 LEU 4 HD13 LEU 4 10.028 -5.209 -7.361 32 HD21 LEU 4 HD21 LEU 4 10.942 -4.337 -5.115 33 HD22 LEU 4 HD22 LEU 4 12.553 -4.839 -5.629 34 HD23 LEU 4 HD23 LEU 4 11.884 -5.442 -4.112 35 H LEU 5 HN LEU 5 8.193 -6.036 -2.259 36 HA LEU 5 HA LEU 5 6.817 -8.352 -1.512 37 HB2 LEU 5 HB2 LEU 5 5.134 -6.808 -0.477 38 HB3 LEU 5 HB1 LEU 5 6.771 -6.648 0.089 39 HG LEU 5 HG LEU 5 6.921 -4.583 -1.421 40 HD11 LEU 5 HD11 LEU 5 4.959 -5.008 -2.798 41 HD12 LEU 5 HD12 LEU 5 4.824 -3.476 -1.935 42 HD13 LEU 5 HD13 LEU 5 3.930 -4.888 -1.370 43 HD21 LEU 5 HD21 LEU 5 5.032 -4.638 0.905 44 HD22 LEU 5 HD22 LEU 5 5.815 -3.201 0.241 45 HD23 LEU 5 HD23 LEU 5 6.790 -4.477 0.974 46 H THR 6 HN THR 6 4.988 -9.214 -2.089 47 HA THR 6 HA THR 6 4.246 -8.669 -4.828 48 HB THR 6 HB THR 6 2.992 -10.810 -4.675 49 HG1 THR 6 HG1 THR 6 4.080 -10.841 -2.033 50 HG21 THR 6 HG21 THR 6 5.309 -10.795 -5.463 51 HG22 THR 6 HG22 THR 6 4.973 -12.268 -4.552 52 HG23 THR 6 HG23 THR 6 5.881 -10.954 -3.804 53 H THR 7 HN THR 7 1.716 -9.549 -5.012 54 HA THR 7 HA THR 7 0.234 -7.349 -4.176 55 HB THR 7 HB THR 7 -0.753 -10.046 -5.154 56 HG1 THR 7 HG1 THR 7 -0.553 -8.861 -7.252 57 HG21 THR 7 HG21 THR 7 -1.819 -7.243 -5.489 58 HG22 THR 7 HG22 THR 7 -2.479 -8.446 -4.374 59 HG23 THR 7 HG23 THR 7 -2.567 -8.711 -6.119 60 H ASP 8 HN ASP 8 0.717 -10.604 -2.920 61 HA ASP 8 HA ASP 8 -1.340 -10.514 -0.943 62 HB2 ASP 8 HB2 ASP 8 -0.508 -12.668 -1.602 63 HB3 ASP 8 HB1 ASP 8 1.128 -12.237 -1.117 64 H ASP 9 HN ASP 9 2.106 -9.817 -0.872 65 HA ASP 9 HA ASP 9 2.335 -9.419 1.916 66 HB2 ASP 9 HB2 ASP 9 3.946 -8.046 -0.258 67 HB3 ASP 9 HB1 ASP 9 4.372 -8.111 1.441 68 H LEU 10 HN LEU 10 1.691 -7.175 -0.722 69 HA LEU 10 HA LEU 10 1.375 -4.850 0.846 70 HB2 LEU 10 HB2 LEU 10 1.744 -4.790 -1.573 71 HB3 LEU 10 HB1 LEU 10 0.206 -5.579 -1.846 72 HG LEU 10 HG LEU 10 -0.944 -3.582 -0.915 73 HD11 LEU 10 HD11 LEU 10 0.828 -2.745 0.511 74 HD12 LEU 10 HD12 LEU 10 0.305 -1.508 -0.633 75 HD13 LEU 10 HD13 LEU 10 1.814 -2.377 -0.905 76 HD21 LEU 10 HD21 LEU 10 -0.654 -3.829 -3.320 77 HD22 LEU 10 HD22 LEU 10 0.923 -3.046 -3.222 78 HD23 LEU 10 HD23 LEU 10 -0.541 -2.134 -2.848 79 H ARG 11 HN ARG 11 -0.905 -7.250 -0.380 80 HA ARG 11 HA ARG 11 -3.331 -6.168 0.407 81 HB2 ARG 11 HB2 ARG 11 -2.892 -8.205 -1.025 82 HB3 ARG 11 HB1 ARG 11 -2.620 -9.097 0.458 83 HG2 ARG 11 HG2 ARG 11 -4.906 -8.636 1.154 84 HG3 ARG 11 HG1 ARG 11 -5.171 -7.725 -0.335 85 HD2 ARG 11 HD2 ARG 11 -6.058 -9.880 -0.710 86 HD3 ARG 11 HD1 ARG 11 -4.530 -9.808 -1.585 87 HE ARG 11 HE ARG 11 -4.323 -10.857 1.065 88 HH11 ARG 11 HH11 ARG 11 -4.600 -11.679 -2.374 89 HH12 ARG 11 HH12 ARG 11 -4.526 -13.365 -2.122 90 HH21 ARG 11 HH21 ARG 11 -4.119 -13.185 1.379 91 HH22 ARG 11 HH22 ARG 11 -4.270 -14.255 0.068 92 H ARG 12 HN ARG 12 -1.185 -8.364 2.163 93 HA ARG 12 HA ARG 12 -2.659 -8.746 4.486 94 HB2 ARG 12 HB2 ARG 12 0.332 -8.610 4.137 95 HB3 ARG 12 HB1 ARG 12 -0.454 -9.118 5.620 96 HG2 ARG 12 HG2 ARG 12 -1.475 -10.994 4.428 97 HG3 ARG 12 HG1 ARG 12 -0.667 -10.477 2.943 98 HD2 ARG 12 HD2 ARG 12 0.545 -12.292 4.088 99 HD3 ARG 12 HD1 ARG 12 1.502 -10.816 3.965 100 HE ARG 12 HE ARG 12 0.032 -10.991 6.400 101 HH11 ARG 12 HH11 ARG 12 3.038 -12.029 4.851 102 HH12 ARG 12 HH12 ARG 12 3.899 -12.284 6.294 103 HH21 ARG 12 HH21 ARG 12 1.225 -11.235 8.406 104 HH22 ARG 12 HH22 ARG 12 2.837 -11.783 8.396 105 H ALA 13 HN ALA 13 -0.214 -6.294 3.829 106 HA ALA 13 HA ALA 13 -0.394 -5.045 6.361 107 HB1 ALA 13 HB1 ALA 13 0.928 -3.288 5.390 108 HB2 ALA 13 HB2 ALA 13 0.622 -3.922 3.773 109 HB3 ALA 13 HB3 ALA 13 1.558 -4.868 4.932 110 H LEU 14 HN LEU 14 -2.012 -4.521 3.309 111 HA LEU 14 HA LEU 14 -3.195 -2.035 3.873 112 HB2 LEU 14 HB2 LEU 14 -3.079 -3.310 1.648 113 HB3 LEU 14 HB1 LEU 14 -4.434 -4.251 2.228 114 HG LEU 14 HG LEU 14 -5.785 -2.163 2.346 115 HD11 LEU 14 HD11 LEU 14 -3.380 -0.941 1.000 116 HD12 LEU 14 HD12 LEU 14 -3.951 -0.579 2.629 117 HD13 LEU 14 HD13 LEU 14 -4.944 -0.159 1.230 118 HD21 LEU 14 HD21 LEU 14 -4.527 -2.750 -0.328 119 HD22 LEU 14 HD22 LEU 14 -6.059 -1.918 -0.067 120 HD23 LEU 14 HD23 LEU 14 -5.886 -3.613 0.388 121 H VAL 15 HN VAL 15 -4.213 -5.350 4.470 122 HA VAL 15 HA VAL 15 -6.641 -4.776 5.803 123 HB VAL 15 HB VAL 15 -4.795 -7.171 6.162 124 HG11 VAL 15 HG11 VAL 15 -6.370 -6.962 8.016 125 HG12 VAL 15 HG12 VAL 15 -6.780 -8.345 7.002 126 HG13 VAL 15 HG13 VAL 15 -7.714 -6.853 6.877 127 HG21 VAL 15 HG21 VAL 15 -6.302 -8.316 4.598 128 HG22 VAL 15 HG22 VAL 15 -5.527 -6.923 3.849 129 HG23 VAL 15 HG23 VAL 15 -7.206 -6.818 4.377 130 H GLU 16 HN GLU 16 -3.364 -5.499 7.035 131 HA GLU 16 HA GLU 16 -3.803 -5.246 9.782 132 HB2 GLU 16 HB2 GLU 16 -1.243 -4.446 8.324 133 HB3 GLU 16 HB1 GLU 16 -1.410 -4.805 10.031 134 HG2 GLU 16 HG2 GLU 16 -2.040 -7.111 9.495 135 HG3 GLU 16 HG1 GLU 16 -1.830 -6.755 7.782 136 H SER 17 HN SER 17 -3.507 -2.780 7.418 137 HA SER 17 HA SER 17 -2.937 -0.578 9.073 138 HB2 SER 17 HB2 SER 17 -2.532 -0.675 6.656 139 HB3 SER 17 HB1 SER 17 -4.269 -0.717 6.372 140 HG SER 17 HG SER 17 -4.232 1.398 6.506 141 H ALA 18 HN ALA 18 -5.994 -1.801 7.675 142 HA ALA 18 HA ALA 18 -7.457 0.270 9.140 143 HB1 ALA 18 HB1 ALA 18 -9.361 -0.315 7.757 144 HB2 ALA 18 HB2 ALA 18 -8.466 -1.667 7.063 145 HB3 ALA 18 HB3 ALA 18 -7.941 -0.011 6.754 146 H GLY 19 HN GLY 19 -7.058 -3.185 9.029 147 HA2 GLY 19 HA2 GLY 19 -7.455 -4.570 10.873 148 HA3 GLY 19 HA1 GLY 19 -8.611 -3.390 11.488 149 H GLU 20 HN GLU 20 -10.492 -3.016 9.985 150 HA GLU 20 HA GLU 20 -11.517 -5.645 9.351 151 HB2 GLU 20 HB2 GLU 20 -12.917 -3.028 9.828 152 HB3 GLU 20 HB1 GLU 20 -13.746 -4.379 9.086 153 HG2 GLU 20 HG2 GLU 20 -14.253 -4.283 11.441 154 HG3 GLU 20 HG1 GLU 20 -13.327 -5.733 11.087 155 H THR 21 HN THR 21 -10.352 -5.933 7.464 156 HA THR 21 HA THR 21 -11.623 -4.639 5.144 157 HB THR 21 HB THR 21 -9.001 -6.199 5.103 158 HG1 THR 21 HG1 THR 21 -8.608 -3.537 4.880 159 HG21 THR 21 HG21 THR 21 -8.612 -4.927 3.027 160 HG22 THR 21 HG22 THR 21 -10.146 -4.088 3.255 161 HG23 THR 21 HG23 THR 21 -10.129 -5.823 2.940 162 H ASP 22 HN ASP 22 -13.254 -6.235 6.078 163 HA ASP 22 HA ASP 22 -12.619 -9.047 5.457 164 HB2 ASP 22 HB2 ASP 22 -13.035 -8.587 7.816 165 HB3 ASP 22 HB1 ASP 22 -14.612 -7.921 7.418 166 H GLY 23 HN GLY 23 -14.911 -6.477 4.884 167 HA2 GLY 23 HA2 GLY 23 -16.573 -8.317 3.305 168 HA3 GLY 23 HA1 GLY 23 -17.123 -6.782 3.994 169 H THR 24 HN THR 24 -14.191 -7.589 2.390 170 HA THR 24 HA THR 24 -14.774 -5.995 0.070 171 HB THR 24 HB THR 24 -12.573 -5.298 2.042 172 HG1 THR 24 HG1 THR 24 -15.074 -4.494 1.821 173 HG21 THR 24 HG21 THR 24 -11.794 -5.067 -0.287 174 HG22 THR 24 HG22 THR 24 -11.996 -3.483 0.465 175 HG23 THR 24 HG23 THR 24 -13.210 -4.084 -0.663 176 H ASP 25 HN ASP 25 -14.450 -7.792 -1.053 177 HA ASP 25 HA ASP 25 -12.393 -9.695 -0.878 178 HB2 ASP 25 HB2 ASP 25 -13.757 -8.708 -3.395 179 HB3 ASP 25 HB1 ASP 25 -12.643 -10.062 -3.357 180 H LEU 26 HN LEU 26 -10.464 -9.003 -0.502 181 HA LEU 26 HA LEU 26 -9.237 -7.012 -2.262 182 HB2 LEU 26 HB2 LEU 26 -9.345 -6.768 0.277 183 HB3 LEU 26 HB1 LEU 26 -8.223 -8.106 0.356 184 HG LEU 26 HG LEU 26 -6.579 -6.761 -0.913 185 HD11 LEU 26 HD11 LEU 26 -8.159 -5.323 -2.088 186 HD12 LEU 26 HD12 LEU 26 -6.981 -4.370 -1.182 187 HD13 LEU 26 HD13 LEU 26 -8.618 -4.571 -0.559 188 HD21 LEU 26 HD21 LEU 26 -7.651 -5.473 1.597 189 HD22 LEU 26 HD22 LEU 26 -6.035 -5.247 0.929 190 HD23 LEU 26 HD23 LEU 26 -6.528 -6.831 1.527 191 H SER 27 HN SER 27 -9.353 -10.292 -1.374 192 HA SER 27 HA SER 27 -6.759 -11.084 -2.192 193 HB2 SER 27 HB2 SER 27 -9.283 -12.725 -1.909 194 HB3 SER 27 HB1 SER 27 -7.632 -13.349 -1.972 195 HG SER 27 HG SER 27 -8.851 -11.755 0.016 196 H GLY 28 HN GLY 28 -6.107 -10.819 -4.208 197 HA2 GLY 28 HA2 GLY 28 -6.548 -12.094 -6.385 198 HA3 GLY 28 HA1 GLY 28 -8.004 -11.098 -6.394 199 H ASP 29 HN ASP 29 -7.618 -9.712 -7.981 200 HA ASP 29 HA ASP 29 -5.073 -8.285 -7.899 201 HB2 ASP 29 HB2 ASP 29 -6.784 -9.044 -10.224 202 HB3 ASP 29 HB1 ASP 29 -5.795 -7.593 -10.332 203 H PHE 30 HN PHE 30 -5.789 -6.986 -6.317 204 HA PHE 30 HA PHE 30 -7.899 -5.092 -6.958 205 HB2 PHE 30 HB2 PHE 30 -7.616 -4.269 -4.678 206 HB3 PHE 30 HB1 PHE 30 -7.766 -6.017 -4.662 207 HD1 PHE 30 HD2 PHE 30 -5.664 -7.404 -4.325 208 HD2 PHE 30 HD1 PHE 30 -5.749 -3.192 -3.752 209 HE1 PHE 30 HE2 PHE 30 -3.606 -7.543 -2.996 210 HE2 PHE 30 HE1 PHE 30 -3.687 -3.329 -2.418 211 HZ PHE 30 HZ PHE 30 -2.614 -5.507 -2.041 212 H LEU 31 HN LEU 31 -4.765 -5.445 -7.672 213 HA LEU 31 HA LEU 31 -3.576 -2.961 -7.058 214 HB2 LEU 31 HB2 LEU 31 -2.917 -4.900 -9.252 215 HB3 LEU 31 HB1 LEU 31 -1.899 -3.589 -8.712 216 HG LEU 31 HG LEU 31 -2.651 -6.030 -7.109 217 HD11 LEU 31 HD11 LEU 31 -0.293 -6.601 -7.383 218 HD12 LEU 31 HD12 LEU 31 -0.073 -5.182 -8.408 219 HD13 LEU 31 HD13 LEU 31 -1.127 -6.494 -8.933 220 HD21 LEU 31 HD21 LEU 31 -0.783 -3.750 -6.439 221 HD22 LEU 31 HD22 LEU 31 -1.013 -5.215 -5.484 222 HD23 LEU 31 HD23 LEU 31 -2.339 -4.065 -5.673 223 H ASP 32 HN ASP 32 -5.782 -3.886 -9.467 224 HA ASP 32 HA ASP 32 -5.057 -1.727 -11.309 225 HB2 ASP 32 HB2 ASP 32 -6.731 -4.209 -11.619 226 HB3 ASP 32 HB1 ASP 32 -6.673 -2.938 -12.832 227 H LEU 33 HN LEU 33 -6.744 -1.513 -8.715 228 HA LEU 33 HA LEU 33 -8.918 -0.088 -10.036 229 HB2 LEU 33 HB2 LEU 33 -10.424 -0.677 -8.110 230 HB3 LEU 33 HB1 LEU 33 -10.042 -1.986 -9.195 231 HG LEU 33 HG LEU 33 -8.366 -2.777 -7.451 232 HD11 LEU 33 HD11 LEU 33 -9.828 -0.839 -5.684 233 HD12 LEU 33 HD12 LEU 33 -8.129 -0.755 -6.148 234 HD13 LEU 33 HD13 LEU 33 -8.707 -2.088 -5.145 235 HD21 LEU 33 HD21 LEU 33 -10.492 -3.878 -7.785 236 HD22 LEU 33 HD22 LEU 33 -11.281 -2.723 -6.714 237 HD23 LEU 33 HD23 LEU 33 -10.079 -3.842 -6.070 238 H ARG 34 HN ARG 34 -9.812 1.701 -8.857 239 HA ARG 34 HA ARG 34 -7.883 3.239 -7.414 240 HB2 ARG 34 HB2 ARG 34 -10.854 3.525 -7.892 241 HB3 ARG 34 HB1 ARG 34 -9.950 4.667 -6.914 242 HG2 ARG 34 HG2 ARG 34 -9.178 4.062 -9.747 243 HG3 ARG 34 HG1 ARG 34 -10.412 5.260 -9.346 244 HD2 ARG 34 HD2 ARG 34 -7.584 5.276 -8.299 245 HD3 ARG 34 HD1 ARG 34 -8.162 6.245 -9.652 246 HE ARG 34 HE ARG 34 -9.796 6.667 -7.399 247 HH11 ARG 34 HH11 ARG 34 -6.632 7.626 -8.710 248 HH12 ARG 34 HH12 ARG 34 -6.452 8.980 -7.712 249 HH21 ARG 34 HH21 ARG 34 -9.558 8.585 -6.042 250 HH22 ARG 34 HH22 ARG 34 -8.192 9.593 -6.209 251 H PHE 35 HN PHE 35 -7.919 3.675 -5.171 252 HA PHE 35 HA PHE 35 -8.642 1.507 -3.519 253 HB2 PHE 35 HB2 PHE 35 -7.863 4.323 -2.780 254 HB3 PHE 35 HB1 PHE 35 -8.038 3.002 -1.624 255 HD1 PHE 35 HD2 PHE 35 -6.561 0.984 -1.877 256 HD2 PHE 35 HD1 PHE 35 -5.910 4.612 -3.994 257 HE1 PHE 35 HE2 PHE 35 -4.251 0.299 -2.332 258 HE2 PHE 35 HE1 PHE 35 -3.595 3.932 -4.451 259 HZ PHE 35 HZ PHE 35 -2.744 1.788 -3.533 260 H GLU 36 HN GLU 36 -10.314 4.289 -4.491 261 HA GLU 36 HA GLU 36 -12.405 4.472 -2.670 262 HB2 GLU 36 HB2 GLU 36 -11.850 5.965 -4.610 263 HB3 GLU 36 HB1 GLU 36 -12.574 4.762 -5.660 264 HG2 GLU 36 HG2 GLU 36 -14.721 5.102 -4.566 265 HG3 GLU 36 HG1 GLU 36 -13.985 6.299 -3.494 266 H ASP 37 HN ASP 37 -11.811 2.196 -5.294 267 HA ASP 37 HA ASP 37 -14.358 0.956 -5.417 268 HB2 ASP 37 HB2 ASP 37 -11.612 0.170 -6.331 269 HB3 ASP 37 HB1 ASP 37 -12.906 -1.014 -6.350 270 H ILE 38 HN ILE 38 -11.741 0.664 -3.214 271 HA ILE 38 HA ILE 38 -13.058 -1.680 -2.060 272 HB ILE 38 HB ILE 38 -10.899 -2.231 -0.919 273 HG12 ILE 38 HG12 ILE 38 -9.760 -0.149 -2.814 274 HG13 ILE 38 HG11 ILE 38 -9.851 0.002 -1.066 275 HG21 ILE 38 HG21 ILE 38 -9.862 -3.212 -2.923 276 HG22 ILE 38 HG22 ILE 38 -10.902 -2.177 -3.917 277 HG23 ILE 38 HG23 ILE 38 -11.620 -3.414 -2.886 278 HD11 ILE 38 HD11 ILE 38 -8.217 -2.024 -2.584 279 HD12 ILE 38 HD12 ILE 38 -8.296 -1.870 -0.830 280 HD13 ILE 38 HD13 ILE 38 -7.607 -0.567 -1.796 281 H GLY 39 HN GLY 39 -13.383 1.246 -1.737 282 HA2 GLY 39 HA2 GLY 39 -14.206 2.610 -0.061 283 HA3 GLY 39 HA1 GLY 39 -14.269 1.177 0.946 284 H TYR 40 HN TYR 40 -11.298 2.416 -0.435 285 HA TYR 40 HA TYR 40 -10.382 2.994 2.285 286 HB2 TYR 40 HB2 TYR 40 -9.000 2.056 -0.175 287 HB3 TYR 40 HB1 TYR 40 -8.094 3.068 0.940 288 HD1 TYR 40 HD2 TYR 40 -10.336 0.059 1.083 289 HD2 TYR 40 HD1 TYR 40 -6.838 2.006 2.489 290 HE1 TYR 40 HE2 TYR 40 -9.805 -1.910 2.453 291 HE2 TYR 40 HE1 TYR 40 -6.277 0.094 3.854 292 HH TYR 40 HH TYR 40 -7.168 -1.894 4.761 293 H ASP 41 HN ASP 41 -8.928 4.788 2.564 294 HA ASP 41 HA ASP 41 -9.137 6.894 0.596 295 HB2 ASP 41 HB2 ASP 41 -9.714 8.595 2.269 296 HB3 ASP 41 HB1 ASP 41 -10.966 7.370 2.190 297 H SER 42 HN SER 42 -7.819 8.866 2.071 298 HA SER 42 HA SER 42 -5.213 8.192 1.290 299 HB2 SER 42 HB2 SER 42 -4.741 10.444 2.264 300 HB3 SER 42 HB1 SER 42 -6.094 10.422 1.115 301 H LEU 43 HN LEU 43 -6.642 8.841 4.419 302 HA LEU 43 HA LEU 43 -4.316 8.523 5.962 303 HB2 LEU 43 HB2 LEU 43 -7.218 8.336 6.703 304 HB3 LEU 43 HB1 LEU 43 -5.906 8.421 7.851 305 HG LEU 43 HG LEU 43 -6.641 10.571 5.859 306 HD11 LEU 43 HD11 LEU 43 -7.357 11.839 7.823 307 HD12 LEU 43 HD12 LEU 43 -7.025 10.439 8.843 308 HD13 LEU 43 HD13 LEU 43 -8.295 10.359 7.622 309 HD21 LEU 43 HD21 LEU 43 -4.248 10.554 6.339 310 HD22 LEU 43 HD22 LEU 43 -4.583 10.567 8.070 311 HD23 LEU 43 HD23 LEU 43 -5.023 11.956 7.074 312 H ALA 44 HN ALA 44 -6.786 6.308 4.941 313 HA ALA 44 HA ALA 44 -6.001 4.134 6.599 314 HB1 ALA 44 HB1 ALA 44 -7.497 4.080 3.972 315 HB2 ALA 44 HB2 ALA 44 -8.229 4.254 5.567 316 HB3 ALA 44 HB3 ALA 44 -7.399 2.759 5.137 317 H LEU 45 HN LEU 45 -5.021 5.311 3.490 318 HA LEU 45 HA LEU 45 -3.429 3.060 2.756 319 HB2 LEU 45 HB2 LEU 45 -3.481 5.898 1.758 320 HB3 LEU 45 HB1 LEU 45 -2.535 4.616 1.029 321 HG LEU 45 HG LEU 45 -5.532 4.580 1.268 322 HD11 LEU 45 HD11 LEU 45 -5.513 5.058 -1.130 323 HD12 LEU 45 HD12 LEU 45 -3.757 5.225 -1.088 324 HD13 LEU 45 HD13 LEU 45 -4.775 6.374 -0.216 325 HD21 LEU 45 HD21 LEU 45 -4.465 2.397 1.196 326 HD22 LEU 45 HD22 LEU 45 -3.576 2.902 -0.247 327 HD23 LEU 45 HD23 LEU 45 -5.333 2.744 -0.307 328 H MET 46 HN MET 46 -2.855 6.185 4.224 329 HA MET 46 HA MET 46 -0.050 6.203 4.197 330 HB2 MET 46 HB2 MET 46 -1.965 7.525 6.129 331 HB3 MET 46 HB1 MET 46 -0.239 7.845 6.086 332 HG2 MET 46 HG2 MET 46 -0.397 8.724 3.862 333 HG3 MET 46 HG1 MET 46 -2.101 8.268 3.764 334 HE1 MET 46 HE1 MET 46 -2.743 10.701 2.970 335 HE2 MET 46 HE2 MET 46 -1.041 11.157 3.022 336 HE3 MET 46 HE3 MET 46 -2.249 12.173 3.807 337 H GLU 47 HN GLU 47 -2.304 4.828 6.476 338 HA GLU 47 HA GLU 47 -0.287 4.119 8.347 339 HB2 GLU 47 HB2 GLU 47 -2.728 4.511 8.848 340 HB3 GLU 47 HB1 GLU 47 -3.063 2.953 8.111 341 HG2 GLU 47 HG2 GLU 47 -2.976 2.825 10.547 342 HG3 GLU 47 HG1 GLU 47 -1.719 1.845 9.794 343 H THR 48 HN THR 48 -1.593 2.651 5.489 344 HA THR 48 HA THR 48 -0.715 -0.034 5.901 345 HB THR 48 HB THR 48 -1.047 1.493 3.295 346 HG1 THR 48 HG1 THR 48 -2.829 0.954 5.108 347 HG21 THR 48 HG21 THR 48 -1.186 -1.473 3.886 348 HG22 THR 48 HG22 THR 48 0.133 -0.656 3.046 349 HG23 THR 48 HG23 THR 48 -1.473 -0.724 2.318 350 H ALA 49 HN ALA 49 0.590 2.819 4.328 351 HA ALA 49 HA ALA 49 3.051 1.808 3.517 352 HB1 ALA 49 HB1 ALA 49 2.183 3.977 2.779 353 HB2 ALA 49 HB2 ALA 49 3.793 4.147 3.485 354 HB3 ALA 49 HB3 ALA 49 2.369 4.612 4.414 355 H ALA 50 HN ALA 50 2.119 3.471 6.513 356 HA ALA 50 HA ALA 50 4.536 3.429 7.865 357 HB1 ALA 50 HB1 ALA 50 1.778 3.163 9.047 358 HB2 ALA 50 HB2 ALA 50 2.566 4.678 8.593 359 HB3 ALA 50 HB3 ALA 50 3.232 3.691 9.898 360 H ARG 51 HN ARG 51 2.023 0.970 7.800 361 HA ARG 51 HA ARG 51 3.135 -0.859 9.591 362 HB2 ARG 51 HB2 ARG 51 0.837 -1.044 8.809 363 HB3 ARG 51 HB1 ARG 51 1.381 -1.304 7.162 364 HG2 ARG 51 HG2 ARG 51 0.612 -3.355 8.241 365 HG3 ARG 51 HG1 ARG 51 2.311 -3.445 7.777 366 HD2 ARG 51 HD2 ARG 51 2.951 -2.894 10.056 367 HD3 ARG 51 HD1 ARG 51 1.256 -2.839 10.528 368 HE ARG 51 HE ARG 51 1.529 -5.294 9.416 369 HH11 ARG 51 HH11 ARG 51 3.382 -3.640 11.962 370 HH12 ARG 51 HH12 ARG 51 3.622 -5.039 12.887 371 HH21 ARG 51 HH21 ARG 51 1.819 -7.185 10.690 372 HH22 ARG 51 HH22 ARG 51 2.721 -7.147 12.145 373 H LEU 52 HN LEU 52 3.316 -0.872 6.063 374 HA LEU 52 HA LEU 52 5.243 -2.903 5.921 375 HB2 LEU 52 HB2 LEU 52 4.413 -0.843 3.909 376 HB3 LEU 52 HB1 LEU 52 5.628 -2.060 3.554 377 HG LEU 52 HG LEU 52 2.814 -2.702 4.436 378 HD11 LEU 52 HD11 LEU 52 2.414 -3.359 2.130 379 HD12 LEU 52 HD12 LEU 52 4.015 -2.762 1.682 380 HD13 LEU 52 HD13 LEU 52 2.783 -1.637 2.253 381 HD21 LEU 52 HD21 LEU 52 3.376 -4.958 3.692 382 HD22 LEU 52 HD22 LEU 52 4.444 -4.416 4.988 383 HD23 LEU 52 HD23 LEU 52 5.017 -4.428 3.320 384 H GLU 53 HN GLU 53 5.681 0.547 6.318 385 HA GLU 53 HA GLU 53 8.409 0.796 5.834 386 HB2 GLU 53 HB2 GLU 53 6.779 2.033 8.044 387 HB3 GLU 53 HB1 GLU 53 8.439 2.469 7.697 388 HG2 GLU 53 HG2 GLU 53 7.691 3.187 5.442 389 HG3 GLU 53 HG1 GLU 53 6.028 2.895 5.972 390 H SER 54 HN SER 54 6.791 0.021 8.834 391 HA SER 54 HA SER 54 9.078 -0.448 10.351 392 HB2 SER 54 HB2 SER 54 6.291 -1.536 10.746 393 HB3 SER 54 HB1 SER 54 7.529 -1.326 11.988 394 HG SER 54 HG SER 54 5.889 0.573 10.772 395 H ARG 55 HN ARG 55 7.008 -2.629 8.490 396 HA ARG 55 HA ARG 55 8.190 -5.022 9.360 397 HB2 ARG 55 HB2 ARG 55 6.012 -5.135 8.382 398 HB3 ARG 55 HB1 ARG 55 6.576 -4.413 6.881 399 HG2 ARG 55 HG2 ARG 55 7.905 -6.396 6.401 400 HG3 ARG 55 HG1 ARG 55 7.404 -7.114 7.932 401 HD2 ARG 55 HD2 ARG 55 5.149 -7.302 7.194 402 HD3 ARG 55 HD1 ARG 55 5.469 -6.312 5.768 403 HE ARG 55 HE ARG 55 7.194 -8.384 5.503 404 HH11 ARG 55 HH11 ARG 55 3.682 -8.451 6.149 405 HH12 ARG 55 HH12 ARG 55 3.418 -9.748 5.085 406 HH21 ARG 55 HH21 ARG 55 6.767 -10.159 4.112 407 HH22 ARG 55 HH22 ARG 55 5.172 -10.736 3.899 408 H TYR 56 HN TYR 56 8.842 -3.143 6.386 409 HA TYR 56 HA TYR 56 10.963 -5.045 5.774 410 HB2 TYR 56 HB2 TYR 56 9.742 -2.833 4.148 411 HB3 TYR 56 HB1 TYR 56 11.186 -3.698 3.633 412 HD1 TYR 56 HD1 TYR 56 7.597 -4.090 4.438 413 HD2 TYR 56 HD2 TYR 56 11.020 -5.863 2.653 414 HE1 TYR 56 HE1 TYR 56 6.173 -5.842 3.466 415 HE2 TYR 56 HE2 TYR 56 9.607 -7.613 1.677 416 HH TYR 56 HH TYR 56 6.174 -7.465 1.669 417 H GLY 57 HN GLY 57 10.712 -1.882 7.102 418 HA2 GLY 57 HA2 GLY 57 12.520 -0.848 8.184 419 HA3 GLY 57 HA1 GLY 57 13.630 -1.770 7.174 420 H VAL 58 HN VAL 58 10.870 -0.109 5.938 421 HA VAL 58 HA VAL 58 12.667 1.667 4.473 422 HB VAL 58 HB VAL 58 10.893 1.950 2.760 423 HG11 VAL 58 HG11 VAL 58 12.613 0.314 2.402 424 HG12 VAL 58 HG12 VAL 58 11.070 -0.242 1.737 425 HG13 VAL 58 HG13 VAL 58 11.663 -0.901 3.268 426 HG21 VAL 58 HG21 VAL 58 8.976 0.410 2.704 427 HG22 VAL 58 HG22 VAL 58 8.918 1.491 4.091 428 HG23 VAL 58 HG23 VAL 58 9.424 -0.191 4.302 429 H SER 59 HN SER 59 11.331 3.736 3.695 430 HA SER 59 HA SER 59 9.707 4.657 5.892 431 HB2 SER 59 HB2 SER 59 12.059 5.349 6.404 432 HB3 SER 59 HB1 SER 59 12.084 6.243 4.883 433 HG SER 59 HG SER 59 10.052 6.651 6.770 434 H ILE 60 HN ILE 60 7.988 5.300 5.022 435 HA ILE 60 HA ILE 60 8.016 6.486 2.325 436 HB ILE 60 HB ILE 60 5.797 4.886 3.637 437 HG12 ILE 60 HG12 ILE 60 7.581 4.140 1.305 438 HG13 ILE 60 HG11 ILE 60 7.769 3.532 2.942 439 HG21 ILE 60 HG21 ILE 60 5.986 6.057 0.852 440 HG22 ILE 60 HG22 ILE 60 4.926 6.616 2.146 441 HG23 ILE 60 HG23 ILE 60 4.687 5.018 1.442 442 HD11 ILE 60 HD11 ILE 60 5.396 3.089 1.148 443 HD12 ILE 60 HD12 ILE 60 5.574 2.478 2.794 444 HD13 ILE 60 HD13 ILE 60 6.660 1.917 1.523 445 HA PRO 61 HA PRO 61 6.490 10.058 4.662 446 HB2 PRO 61 HB2 PRO 61 6.120 11.031 1.873 447 HB3 PRO 61 HB1 PRO 61 6.950 11.808 3.226 448 HG2 PRO 61 HG2 PRO 61 8.331 10.747 1.223 449 HG3 PRO 61 HG1 PRO 61 8.896 10.607 2.898 450 HD2 PRO 61 HD2 PRO 61 7.543 8.566 1.178 451 HD3 PRO 61 HD1 PRO 61 8.881 8.364 2.330 452 H ASP 62 HN ASP 62 4.460 10.299 5.255 453 HA ASP 62 HA ASP 62 2.379 8.704 4.338 454 HB2 ASP 62 HB2 ASP 62 0.863 10.005 5.739 455 HB3 ASP 62 HB1 ASP 62 2.382 9.729 6.581 456 H ASP 63 HN ASP 63 3.266 11.921 3.319 457 HA ASP 63 HA ASP 63 0.989 12.704 1.904 458 HB2 ASP 63 HB2 ASP 63 2.807 14.253 2.238 459 HB3 ASP 63 HB1 ASP 63 3.895 13.249 1.287 460 H VAL 64 HN VAL 64 3.480 10.440 1.006 461 HA VAL 64 HA VAL 64 2.968 10.416 -1.784 462 HB VAL 64 HB VAL 64 4.199 8.253 -0.091 463 HG11 VAL 64 HG11 VAL 64 3.633 7.482 -2.353 464 HG12 VAL 64 HG12 VAL 64 5.384 7.608 -2.190 465 HG13 VAL 64 HG13 VAL 64 4.485 8.857 -3.055 466 HG21 VAL 64 HG21 VAL 64 6.384 9.253 -0.686 467 HG22 VAL 64 HG22 VAL 64 5.373 10.338 0.266 468 HG23 VAL 64 HG23 VAL 64 5.533 10.582 -1.473 469 H ALA 65 HN ALA 65 1.392 8.952 0.893 470 HA ALA 65 HA ALA 65 0.149 6.901 -0.700 471 HB1 ALA 65 HB1 ALA 65 -0.426 7.713 2.141 472 HB2 ALA 65 HB2 ALA 65 0.730 6.477 1.646 473 HB3 ALA 65 HB3 ALA 65 -0.993 6.248 1.338 474 H GLY 66 HN GLY 66 -0.290 10.143 -0.392 475 HA2 GLY 66 HA2 GLY 66 -3.170 10.045 -0.833 476 HA3 GLY 66 HA1 GLY 66 -2.170 11.498 -0.722 477 H ARG 67 HN ARG 67 -0.252 9.928 -2.504 478 HA ARG 67 HA ARG 67 -1.127 11.058 -5.004 479 HB2 ARG 67 HB2 ARG 67 1.196 11.247 -4.541 480 HB3 ARG 67 HB1 ARG 67 1.330 9.545 -4.135 481 HG2 ARG 67 HG2 ARG 67 0.897 8.991 -6.524 482 HG3 ARG 67 HG1 ARG 67 0.907 10.717 -6.884 483 HD2 ARG 67 HD2 ARG 67 3.185 10.920 -6.231 484 HD3 ARG 67 HD1 ARG 67 3.201 9.291 -5.558 485 HE ARG 67 HE ARG 67 2.541 9.179 -8.290 486 HH11 ARG 67 HH11 ARG 67 5.344 9.975 -6.253 487 HH12 ARG 67 HH12 ARG 67 6.508 9.326 -7.312 488 HH21 ARG 67 HH21 ARG 67 4.175 8.222 -9.788 489 HH22 ARG 67 HH22 ARG 67 5.815 8.312 -9.373 490 H VAL 68 HN VAL 68 -0.724 7.841 -3.625 491 HA VAL 68 HA VAL 68 -0.684 6.370 -5.948 492 HB VAL 68 HB VAL 68 -1.315 4.398 -4.523 493 HG11 VAL 68 HG11 VAL 68 0.862 6.227 -3.525 494 HG12 VAL 68 HG12 VAL 68 0.986 5.087 -4.861 495 HG13 VAL 68 HG13 VAL 68 0.758 4.494 -3.211 496 HG21 VAL 68 HG21 VAL 68 -2.741 5.553 -2.889 497 HG22 VAL 68 HG22 VAL 68 -1.345 6.472 -2.321 498 HG23 VAL 68 HG23 VAL 68 -1.404 4.724 -2.094 499 H ASP 69 HN ASP 69 -1.970 6.449 -7.447 500 HA ASP 69 HA ASP 69 -4.801 6.856 -7.388 501 HB2 ASP 69 HB2 ASP 69 -3.423 7.417 -9.356 502 HB3 ASP 69 HB1 ASP 69 -3.020 5.726 -9.554 503 H THR 70 HN THR 70 -2.765 4.054 -7.974 504 HA THR 70 HA THR 70 -5.005 2.279 -7.342 505 HB THR 70 HB THR 70 -4.071 0.725 -9.053 506 HG1 THR 70 HG1 THR 70 -2.695 2.804 -10.305 507 HG21 THR 70 HG21 THR 70 -4.850 3.448 -10.097 508 HG22 THR 70 HG22 THR 70 -5.975 2.167 -9.634 509 HG23 THR 70 HG23 THR 70 -4.909 1.951 -11.034 510 HA PRO 71 HA PRO 71 -2.089 0.292 -4.646 511 HB2 PRO 71 HB2 PRO 71 -3.010 -2.309 -5.726 512 HB3 PRO 71 HB1 PRO 71 -2.968 -1.728 -4.057 513 HG2 PRO 71 HG2 PRO 71 -5.272 -1.868 -5.348 514 HG3 PRO 71 HG1 PRO 71 -4.907 -0.488 -4.291 515 HD2 PRO 71 HD2 PRO 71 -4.767 -0.671 -7.277 516 HD3 PRO 71 HD1 PRO 71 -5.428 0.629 -6.263 517 H ARG 72 HN ARG 72 -2.083 -0.488 -8.107 518 HA ARG 72 HA ARG 72 0.394 -1.874 -8.082 519 HB2 ARG 72 HB2 ARG 72 -0.839 -0.193 -10.264 520 HB3 ARG 72 HB1 ARG 72 0.711 -0.988 -10.446 521 HG2 ARG 72 HG2 ARG 72 -0.498 -3.145 -9.964 522 HG3 ARG 72 HG1 ARG 72 -1.994 -2.222 -10.148 523 HD2 ARG 72 HD2 ARG 72 -1.232 -1.495 -12.369 524 HD3 ARG 72 HD1 ARG 72 0.194 -2.510 -12.182 525 HE ARG 72 HE ARG 72 -2.534 -3.611 -12.156 526 HH11 ARG 72 HH11 ARG 72 0.844 -3.972 -13.099 527 HH12 ARG 72 HH12 ARG 72 0.535 -5.105 -14.330 528 HH21 ARG 72 HH21 ARG 72 -2.979 -5.086 -13.791 529 HH22 ARG 72 HH22 ARG 72 -1.734 -5.752 -14.784 530 H GLU 73 HN GLU 73 -0.448 1.499 -8.140 531 HA GLU 73 HA GLU 73 2.192 2.444 -8.544 532 HB2 GLU 73 HB2 GLU 73 0.178 3.730 -9.109 533 HB3 GLU 73 HB1 GLU 73 -0.261 3.798 -7.414 534 HG2 GLU 73 HG2 GLU 73 1.439 5.301 -6.918 535 HG3 GLU 73 HG1 GLU 73 2.309 4.951 -8.415 536 H LEU 74 HN LEU 74 0.231 1.729 -5.758 537 HA LEU 74 HA LEU 74 2.029 2.724 -3.777 538 HB2 LEU 74 HB2 LEU 74 -0.529 2.024 -3.670 539 HB3 LEU 74 HB1 LEU 74 0.117 0.446 -3.291 540 HG LEU 74 HG LEU 74 0.493 2.965 -1.655 541 HD11 LEU 74 HD11 LEU 74 -1.188 0.530 -1.147 542 HD12 LEU 74 HD12 LEU 74 -1.763 2.143 -1.565 543 HD13 LEU 74 HD13 LEU 74 -0.947 1.871 -0.026 544 HD21 LEU 74 HD21 LEU 74 2.414 1.461 -1.417 545 HD22 LEU 74 HD22 LEU 74 1.322 0.132 -1.025 546 HD23 LEU 74 HD23 LEU 74 1.453 1.518 0.061 547 H LEU 75 HN LEU 75 1.422 -0.453 -5.222 548 HA LEU 75 HA LEU 75 3.293 -2.061 -3.922 549 HB2 LEU 75 HB2 LEU 75 1.480 -2.796 -5.481 550 HB3 LEU 75 HB1 LEU 75 2.394 -2.137 -6.812 551 HG LEU 75 HG LEU 75 4.203 -3.810 -6.272 552 HD11 LEU 75 HD11 LEU 75 3.561 -5.739 -4.931 553 HD12 LEU 75 HD12 LEU 75 2.041 -4.941 -4.515 554 HD13 LEU 75 HD13 LEU 75 3.576 -4.257 -3.977 555 HD21 LEU 75 HD21 LEU 75 3.029 -5.664 -7.328 556 HD22 LEU 75 HD22 LEU 75 2.596 -4.135 -8.101 557 HD23 LEU 75 HD23 LEU 75 1.483 -4.908 -6.969 558 H ASP 76 HN ASP 76 3.505 -0.271 -6.951 559 HA ASP 76 HA ASP 76 6.130 -0.763 -7.685 560 HB2 ASP 76 HB2 ASP 76 4.478 0.216 -9.188 561 HB3 ASP 76 HB1 ASP 76 4.425 1.674 -8.208 562 H LEU 77 HN LEU 77 4.798 1.854 -5.732 563 HA LEU 77 HA LEU 77 7.056 3.382 -5.269 564 HB2 LEU 77 HB2 LEU 77 4.968 4.183 -4.505 565 HB3 LEU 77 HB1 LEU 77 4.685 2.753 -3.535 566 HG LEU 77 HG LEU 77 6.587 3.468 -2.074 567 HD11 LEU 77 HD11 LEU 77 7.309 5.784 -2.109 568 HD12 LEU 77 HD12 LEU 77 6.410 6.048 -3.609 569 HD13 LEU 77 HD13 LEU 77 7.770 4.922 -3.576 570 HD21 LEU 77 HD21 LEU 77 4.243 5.348 -2.282 571 HD22 LEU 77 HD22 LEU 77 5.298 5.152 -0.878 572 HD23 LEU 77 HD23 LEU 77 4.290 3.812 -1.413 573 H ILE 78 HN ILE 78 5.820 0.710 -3.294 574 HA ILE 78 HA ILE 78 8.078 0.867 -1.571 575 HB ILE 78 HB ILE 78 6.127 -1.447 -1.689 576 HG12 ILE 78 HG12 ILE 78 5.957 1.135 -0.117 577 HG13 ILE 78 HG11 ILE 78 4.968 0.743 -1.519 578 HG21 ILE 78 HG21 ILE 78 6.771 -1.652 0.701 579 HG22 ILE 78 HG22 ILE 78 7.876 -0.295 0.512 580 HG23 ILE 78 HG23 ILE 78 8.177 -1.800 -0.355 581 HD11 ILE 78 HD11 ILE 78 3.757 0.419 0.546 582 HD12 ILE 78 HD12 ILE 78 4.988 -0.714 1.106 583 HD13 ILE 78 HD13 ILE 78 3.988 -1.115 -0.290 584 H ASN 79 HN ASN 79 7.225 -1.151 -4.314 585 HA ASN 79 HA ASN 79 9.358 -2.985 -4.068 586 HB2 ASN 79 HB2 ASN 79 7.784 -2.034 -6.461 587 HB3 ASN 79 HB1 ASN 79 9.171 -3.082 -6.680 588 HD21 ASN 79 HD21 ASN 79 6.957 -3.369 -3.947 589 HD22 ASN 79 HD22 ASN 79 6.284 -4.881 -4.459 590 H GLY 80 HN GLY 80 9.154 0.186 -5.590 591 HA2 GLY 80 HA2 GLY 80 11.815 0.219 -6.550 592 HA3 GLY 80 HA1 GLY 80 10.780 1.620 -6.286 593 H ALA 81 HN ALA 81 10.290 1.351 -3.589 594 HA ALA 81 HA ALA 81 12.545 2.556 -2.432 595 HB1 ALA 81 HB1 ALA 81 10.168 1.344 -1.025 596 HB2 ALA 81 HB2 ALA 81 10.246 2.978 -1.678 597 HB3 ALA 81 HB3 ALA 81 11.300 2.512 -0.340 598 H LEU 82 HN LEU 82 11.512 -0.778 -2.496 599 HA LEU 82 HA LEU 82 13.278 -1.700 -0.471 600 HB2 LEU 82 HB2 LEU 82 11.969 -3.176 -2.757 601 HB3 LEU 82 HB1 LEU 82 12.883 -3.959 -1.483 602 HG LEU 82 HG LEU 82 10.364 -2.352 -1.066 603 HD11 LEU 82 HD11 LEU 82 9.907 -4.410 -2.255 604 HD12 LEU 82 HD12 LEU 82 9.306 -4.498 -0.601 605 HD13 LEU 82 HD13 LEU 82 10.800 -5.328 -1.043 606 HD21 LEU 82 HD21 LEU 82 11.972 -4.048 0.835 607 HD22 LEU 82 HD22 LEU 82 10.428 -3.276 1.195 608 HD23 LEU 82 HD23 LEU 82 11.851 -2.289 0.855 609 H ALA 83 HN ALA 83 13.620 -1.078 -3.859 610 HA ALA 83 HA ALA 83 16.225 -2.288 -4.067 611 HB1 ALA 83 HB1 ALA 83 16.264 -1.257 -6.301 612 HB2 ALA 83 HB2 ALA 83 14.799 -0.357 -5.910 613 HB3 ALA 83 HB3 ALA 83 14.749 -2.115 -6.026 614 H GLU 84 HN GLU 84 14.989 0.498 -2.744 615 HA GLU 84 HA GLU 84 17.527 1.979 -2.914 616 HB2 GLU 84 HB2 GLU 84 14.760 2.919 -2.139 617 HB3 GLU 84 HB1 GLU 84 16.198 3.924 -2.206 618 HG2 GLU 84 HG2 GLU 84 16.352 3.618 -4.587 619 HG3 GLU 84 HG1 GLU 84 14.985 2.503 -4.558 620 H ALA 85 HN ALA 85 16.424 -0.311 -1.133 621 HA ALA 85 HA ALA 85 16.359 0.859 1.484 622 HB1 ALA 85 HB1 ALA 85 16.486 -2.047 0.680 623 HB2 ALA 85 HB2 ALA 85 15.011 -1.126 0.974 624 HB3 ALA 85 HB3 ALA 85 16.139 -1.433 2.295 625 H ALA 86 HN ALA 86 18.078 1.532 2.421 626 HA ALA 86 HA ALA 86 20.532 -0.034 2.215 627 HB1 ALA 86 HB1 ALA 86 21.795 2.084 2.346 628 HB2 ALA 86 HB2 ALA 86 20.281 2.984 2.289 629 HB3 ALA 86 HB3 ALA 86 20.787 2.023 0.900 630 H28 SXV 87 H28A SXV 87 -6.296 13.371 4.837 631 H28A SXV 87 H28B SXV 87 -5.022 12.366 4.156 632 H30 SXV 87 H30C SXV 87 -3.178 13.583 4.971 633 H30A SXV 87 H30A SXV 87 -4.327 14.523 5.923 634 H30B SXV 87 H30B SXV 87 -3.127 15.344 4.923 635 H31 SXV 87 H31C SXV 87 -4.682 14.296 1.721 636 H31A SXV 87 H31A SXV 87 -3.332 13.497 2.529 637 H31B SXV 87 H31B SXV 87 -3.356 15.264 2.380 638 H32 SXV 87 H32A SXV 87 -4.916 16.667 3.819 639 HO33 SXV 87 H33A SXV 87 -6.977 15.123 5.044 640 HN36 SXV 87 H36A SXV 87 -8.086 15.501 3.820 641 H37 SXV 87 H37B SXV 87 -8.402 15.654 0.919 642 H37A SXV 87 H37A SXV 87 -9.379 16.698 1.940 643 H38 SXV 87 H38B SXV 87 -10.393 14.721 2.982 644 H38A SXV 87 H38A SXV 87 -9.247 13.714 2.077 645 HN41 SXV 87 H41A SXV 87 -9.568 15.487 -0.294 646 H42 SXV 87 H42B SXV 87 -11.806 15.915 -1.493 647 H42A SXV 87 H42A SXV 87 -11.825 14.160 -1.531 648 H43 SXV 87 H43B SXV 87 -9.786 14.133 -2.730 649 H43A SXV 87 H43A SXV 87 -10.818 15.293 -3.549 650 H1 SXV 87 H1B SXV 87 -7.190 16.794 -3.914 651 H1A SXV 87 H1A SXV 87 -7.739 15.111 -4.049 652 H2 SXV 87 H2A SXV 87 -9.705 15.752 -5.251 653 H2A SXV 87 H2B SXV 87 -8.242 16.283 -6.075 654 H4 SXV 87 H4C SXV 87 -11.268 18.594 -4.535 655 H4A SXV 87 H4A SXV 87 -11.378 17.085 -5.449 656 H4B SXV 87 H4B SXV 87 -11.098 18.612 -6.296 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 20.625 -10.161 -1.704 2 H2 MET 1 HT2 MET 1 20.204 -9.450 -3.176 3 H3 MET 1 HT3 MET 1 20.690 -11.081 -3.127 4 HA MET 1 HA MET 1 18.314 -10.887 -3.393 5 HB2 MET 1 HB2 MET 1 19.239 -12.772 -2.060 6 HB3 MET 1 HB1 MET 1 19.095 -11.791 -0.608 7 HG2 MET 1 HG2 MET 1 16.652 -11.693 -0.959 8 HG3 MET 1 HG1 MET 1 16.836 -12.763 -2.347 9 HE1 MET 1 HE1 MET 1 17.110 -12.412 1.556 10 HE2 MET 1 HE2 MET 1 18.758 -12.851 1.109 11 HE3 MET 1 HE3 MET 1 17.760 -13.986 2.016 12 H ALA 2 HN ALA 2 16.647 -9.566 -3.132 13 HA ALA 2 HA ALA 2 16.774 -7.645 -0.923 14 HB1 ALA 2 HB1 ALA 2 15.355 -6.226 -2.338 15 HB2 ALA 2 HB2 ALA 2 15.370 -7.464 -3.594 16 HB3 ALA 2 HB3 ALA 2 16.864 -6.635 -3.155 17 H THR 3 HN THR 3 14.849 -7.292 0.245 18 HA THR 3 HA THR 3 13.036 -9.521 0.270 19 HB THR 3 HB THR 3 12.048 -8.000 2.147 20 HG1 THR 3 HG1 THR 3 13.449 -6.362 2.865 21 HG21 THR 3 HG21 THR 3 13.782 -8.743 3.729 22 HG22 THR 3 HG22 THR 3 14.858 -9.100 2.376 23 HG23 THR 3 HG23 THR 3 13.367 -10.019 2.585 24 H LEU 4 HN LEU 4 11.598 -9.461 -1.312 25 HA LEU 4 HA LEU 4 10.378 -6.886 -2.016 26 HB2 LEU 4 HB2 LEU 4 10.852 -9.296 -3.773 27 HB3 LEU 4 HB1 LEU 4 9.987 -7.853 -4.257 28 HG LEU 4 HG LEU 4 12.912 -7.951 -3.503 29 HD11 LEU 4 HD11 LEU 4 11.590 -7.705 -6.196 30 HD12 LEU 4 HD12 LEU 4 12.486 -9.101 -5.600 31 HD13 LEU 4 HD13 LEU 4 13.319 -7.572 -5.880 32 HD21 LEU 4 HD21 LEU 4 11.230 -5.716 -4.639 33 HD22 LEU 4 HD22 LEU 4 12.974 -5.663 -4.380 34 HD23 LEU 4 HD23 LEU 4 11.881 -5.794 -3.003 35 H LEU 5 HN LEU 5 8.231 -6.772 -1.983 36 HA LEU 5 HA LEU 5 6.877 -9.172 -1.139 37 HB2 LEU 5 HB2 LEU 5 4.984 -7.625 -0.522 38 HB3 LEU 5 HB1 LEU 5 6.427 -7.529 0.450 39 HG LEU 5 HG LEU 5 7.002 -5.416 -0.867 40 HD11 LEU 5 HD11 LEU 5 5.164 -4.236 -1.931 41 HD12 LEU 5 HD12 LEU 5 4.122 -5.641 -1.711 42 HD13 LEU 5 HD13 LEU 5 5.525 -5.742 -2.774 43 HD21 LEU 5 HD21 LEU 5 5.471 -4.048 0.453 44 HD22 LEU 5 HD22 LEU 5 6.180 -5.376 1.384 45 HD23 LEU 5 HD23 LEU 5 4.517 -5.494 0.805 46 H THR 6 HN THR 6 5.272 -10.098 -2.200 47 HA THR 6 HA THR 6 4.982 -9.333 -4.976 48 HB THR 6 HB THR 6 3.774 -11.498 -5.121 49 HG1 THR 6 HG1 THR 6 4.455 -12.575 -2.773 50 HG21 THR 6 HG21 THR 6 5.726 -12.946 -4.696 51 HG22 THR 6 HG22 THR 6 6.463 -11.669 -3.730 52 HG23 THR 6 HG23 THR 6 6.223 -11.437 -5.463 53 H THR 7 HN THR 7 2.496 -10.121 -5.650 54 HA THR 7 HA THR 7 0.802 -8.198 -4.505 55 HB THR 7 HB THR 7 -0.963 -9.410 -5.898 56 HG1 THR 7 HG1 THR 7 0.558 -10.690 -7.551 57 HG21 THR 7 HG21 THR 7 1.560 -8.440 -7.261 58 HG22 THR 7 HG22 THR 7 0.237 -7.419 -6.698 59 HG23 THR 7 HG23 THR 7 -0.030 -8.563 -8.013 60 H ASP 8 HN ASP 8 1.589 -11.437 -3.686 61 HA ASP 8 HA ASP 8 -0.815 -12.019 -2.225 62 HB2 ASP 8 HB2 ASP 8 1.951 -13.252 -2.019 63 HB3 ASP 8 HB1 ASP 8 0.588 -13.779 -1.053 64 H ASP 9 HN ASP 9 2.305 -10.642 -1.516 65 HA ASP 9 HA ASP 9 1.729 -10.493 1.289 66 HB2 ASP 9 HB2 ASP 9 4.086 -10.653 0.451 67 HB3 ASP 9 HB1 ASP 9 3.918 -9.001 -0.144 68 H LEU 10 HN LEU 10 1.698 -8.238 -1.410 69 HA LEU 10 HA LEU 10 1.031 -5.946 0.080 70 HB2 LEU 10 HB2 LEU 10 1.737 -5.990 -2.335 71 HB3 LEU 10 HB1 LEU 10 0.147 -6.603 -2.739 72 HG LEU 10 HG LEU 10 -0.839 -4.516 -1.807 73 HD11 LEU 10 HD11 LEU 10 0.949 -3.893 -0.303 74 HD12 LEU 10 HD12 LEU 10 0.625 -2.591 -1.449 75 HD13 LEU 10 HD13 LEU 10 2.033 -3.630 -1.668 76 HD21 LEU 10 HD21 LEU 10 1.164 -4.144 -4.031 77 HD22 LEU 10 HD22 LEU 10 -0.221 -3.102 -3.707 78 HD23 LEU 10 HD23 LEU 10 -0.474 -4.774 -4.207 79 H ARG 11 HN ARG 11 -0.835 -8.603 -1.145 80 HA ARG 11 HA ARG 11 -3.443 -7.676 -0.703 81 HB2 ARG 11 HB2 ARG 11 -2.729 -9.692 -2.010 82 HB3 ARG 11 HB1 ARG 11 -2.383 -10.496 -0.496 83 HG2 ARG 11 HG2 ARG 11 -4.725 -10.451 0.091 84 HG3 ARG 11 HG1 ARG 11 -5.095 -9.537 -1.378 85 HD2 ARG 11 HD2 ARG 11 -3.919 -12.318 -1.255 86 HD3 ARG 11 HD1 ARG 11 -5.575 -11.907 -1.703 87 HE ARG 11 HE ARG 11 -4.578 -10.666 -3.613 88 HH11 ARG 11 HH11 ARG 11 -3.047 -13.538 -2.309 89 HH12 ARG 11 HH12 ARG 11 -1.949 -13.757 -3.570 90 HH21 ARG 11 HH21 ARG 11 -3.142 -10.975 -5.480 91 HH22 ARG 11 HH22 ARG 11 -2.065 -12.289 -5.479 92 H ARG 12 HN ARG 12 -1.048 -9.182 1.419 93 HA ARG 12 HA ARG 12 -2.819 -9.331 3.681 94 HB2 ARG 12 HB2 ARG 12 0.208 -9.393 3.611 95 HB3 ARG 12 HB1 ARG 12 -0.759 -9.652 5.050 96 HG2 ARG 12 HG2 ARG 12 -1.783 -11.611 3.852 97 HG3 ARG 12 HG1 ARG 12 -0.530 -11.395 2.624 98 HD2 ARG 12 HD2 ARG 12 -0.050 -11.858 5.571 99 HD3 ARG 12 HD1 ARG 12 0.096 -13.077 4.314 100 HE ARG 12 HE ARG 12 1.781 -10.937 3.664 101 HH11 ARG 12 HH11 ARG 12 1.585 -13.284 6.353 102 HH12 ARG 12 HH12 ARG 12 3.292 -13.480 6.394 103 HH21 ARG 12 HH21 ARG 12 4.008 -11.165 3.891 104 HH22 ARG 12 HH22 ARG 12 4.694 -12.225 5.066 105 H ALA 13 HN ALA 13 -0.345 -7.134 2.556 106 HA ALA 13 HA ALA 13 -0.128 -5.416 4.706 107 HB1 ALA 13 HB1 ALA 13 0.087 -4.690 1.790 108 HB2 ALA 13 HB2 ALA 13 1.367 -5.407 2.774 109 HB3 ALA 13 HB3 ALA 13 0.763 -3.795 3.151 110 H LEU 14 HN LEU 14 -2.376 -5.163 1.962 111 HA LEU 14 HA LEU 14 -3.601 -2.808 2.955 112 HB2 LEU 14 HB2 LEU 14 -4.368 -4.751 0.819 113 HB3 LEU 14 HB1 LEU 14 -5.580 -3.639 1.404 114 HG LEU 14 HG LEU 14 -4.599 -2.782 -0.617 115 HD11 LEU 14 HD11 LEU 14 -3.859 -0.582 0.129 116 HD12 LEU 14 HD12 LEU 14 -3.679 -1.206 1.769 117 HD13 LEU 14 HD13 LEU 14 -5.273 -1.150 1.017 118 HD21 LEU 14 HD21 LEU 14 -1.942 -2.880 0.810 119 HD22 LEU 14 HD22 LEU 14 -2.234 -2.144 -0.767 120 HD23 LEU 14 HD23 LEU 14 -2.429 -3.884 -0.556 121 H VAL 15 HN VAL 15 -4.002 -6.069 3.864 122 HA VAL 15 HA VAL 15 -6.538 -5.480 5.117 123 HB VAL 15 HB VAL 15 -4.921 -8.062 5.195 124 HG11 VAL 15 HG11 VAL 15 -7.748 -7.552 6.139 125 HG12 VAL 15 HG12 VAL 15 -6.358 -7.864 7.178 126 HG13 VAL 15 HG13 VAL 15 -6.945 -9.122 6.088 127 HG21 VAL 15 HG21 VAL 15 -5.771 -7.539 2.986 128 HG22 VAL 15 HG22 VAL 15 -7.391 -7.319 3.643 129 HG23 VAL 15 HG23 VAL 15 -6.636 -8.913 3.676 130 H GLU 16 HN GLU 16 -3.241 -5.236 5.888 131 HA GLU 16 HA GLU 16 -3.410 -5.730 8.657 132 HB2 GLU 16 HB2 GLU 16 -1.342 -4.013 7.218 133 HB3 GLU 16 HB1 GLU 16 -1.247 -4.568 8.879 134 HG2 GLU 16 HG2 GLU 16 -1.379 -6.918 7.986 135 HG3 GLU 16 HG1 GLU 16 -1.137 -6.225 6.388 136 H SER 17 HN SER 17 -3.528 -2.678 6.824 137 HA SER 17 HA SER 17 -4.097 -1.176 9.157 138 HB2 SER 17 HB2 SER 17 -4.699 0.560 7.326 139 HB3 SER 17 HB1 SER 17 -3.023 0.020 7.471 140 HG SER 17 HG SER 17 -4.986 -0.765 5.586 141 H ALA 18 HN ALA 18 -5.988 -3.124 7.102 142 HA ALA 18 HA ALA 18 -8.499 -1.838 7.573 143 HB1 ALA 18 HB1 ALA 18 -7.918 -4.681 6.706 144 HB2 ALA 18 HB2 ALA 18 -8.186 -3.308 5.627 145 HB3 ALA 18 HB3 ALA 18 -9.498 -3.894 6.653 146 H GLY 19 HN GLY 19 -6.687 -4.475 8.983 147 HA2 GLY 19 HA2 GLY 19 -6.618 -5.249 11.118 148 HA3 GLY 19 HA1 GLY 19 -7.638 -3.897 11.587 149 H GLU 20 HN GLU 20 -9.575 -4.353 12.268 150 HA GLU 20 HA GLU 20 -10.460 -7.088 12.250 151 HB2 GLU 20 HB2 GLU 20 -11.585 -4.624 13.567 152 HB3 GLU 20 HB1 GLU 20 -12.192 -6.256 13.797 153 HG2 GLU 20 HG2 GLU 20 -9.426 -5.310 14.492 154 HG3 GLU 20 HG1 GLU 20 -10.755 -5.524 15.632 155 H THR 21 HN THR 21 -10.699 -5.003 9.939 156 HA THR 21 HA THR 21 -13.529 -4.977 9.406 157 HB THR 21 HB THR 21 -11.224 -4.401 7.524 158 HG1 THR 21 HG1 THR 21 -11.046 -2.915 9.143 159 HG21 THR 21 HG21 THR 21 -14.136 -3.570 7.427 160 HG22 THR 21 HG22 THR 21 -13.366 -4.760 6.378 161 HG23 THR 21 HG23 THR 21 -12.893 -3.063 6.282 162 H ASP 22 HN ASP 22 -14.184 -7.110 9.368 163 HA ASP 22 HA ASP 22 -12.930 -9.199 7.878 164 HB2 ASP 22 HB2 ASP 22 -14.501 -9.631 9.769 165 HB3 ASP 22 HB1 ASP 22 -15.816 -8.996 8.790 166 H GLY 23 HN GLY 23 -13.432 -9.976 5.826 167 HA2 GLY 23 HA2 GLY 23 -14.494 -9.985 3.766 168 HA3 GLY 23 HA1 GLY 23 -15.521 -8.662 4.311 169 H THR 24 HN THR 24 -12.033 -9.093 4.085 170 HA THR 24 HA THR 24 -11.964 -6.794 2.293 171 HB THR 24 HB THR 24 -9.904 -7.415 4.454 172 HG1 THR 24 HG1 THR 24 -11.453 -6.517 5.652 173 HG21 THR 24 HG21 THR 24 -9.029 -5.174 3.908 174 HG22 THR 24 HG22 THR 24 -10.256 -4.998 2.652 175 HG23 THR 24 HG23 THR 24 -8.996 -6.221 2.488 176 H ASP 25 HN ASP 25 -12.094 -8.595 0.710 177 HA ASP 25 HA ASP 25 -9.519 -9.947 0.391 178 HB2 ASP 25 HB2 ASP 25 -11.433 -11.470 0.262 179 HB3 ASP 25 HB1 ASP 25 -12.144 -10.489 -1.020 180 H LEU 26 HN LEU 26 -8.151 -9.201 -0.910 181 HA LEU 26 HA LEU 26 -8.928 -7.144 -2.817 182 HB2 LEU 26 HB2 LEU 26 -6.230 -8.131 -1.901 183 HB3 LEU 26 HB1 LEU 26 -6.402 -7.040 -3.252 184 HG LEU 26 HG LEU 26 -5.769 -5.758 -1.370 185 HD11 LEU 26 HD11 LEU 26 -7.344 -4.669 -2.788 186 HD12 LEU 26 HD12 LEU 26 -7.608 -4.178 -1.116 187 HD13 LEU 26 HD13 LEU 26 -8.692 -5.346 -1.875 188 HD21 LEU 26 HD21 LEU 26 -8.097 -6.954 0.141 189 HD22 LEU 26 HD22 LEU 26 -7.077 -5.643 0.725 190 HD23 LEU 26 HD23 LEU 26 -6.383 -7.247 0.453 191 H SER 27 HN SER 27 -8.264 -10.452 -2.747 192 HA SER 27 HA SER 27 -8.136 -12.097 -4.226 193 HB2 SER 27 HB2 SER 27 -10.141 -10.835 -5.223 194 HB3 SER 27 HB1 SER 27 -9.009 -10.163 -6.396 195 HG SER 27 HG SER 27 -9.750 -12.826 -5.943 196 H GLY 28 HN GLY 28 -7.230 -12.427 -6.739 197 HA2 GLY 28 HA2 GLY 28 -4.457 -12.400 -6.463 198 HA3 GLY 28 HA1 GLY 28 -5.309 -12.653 -7.976 199 H ASP 29 HN ASP 29 -5.900 -10.737 -9.204 200 HA ASP 29 HA ASP 29 -3.822 -8.712 -8.983 201 HB2 ASP 29 HB2 ASP 29 -4.080 -9.661 -11.204 202 HB3 ASP 29 HB1 ASP 29 -5.807 -9.315 -11.189 203 H PHE 30 HN PHE 30 -4.263 -7.021 -7.860 204 HA PHE 30 HA PHE 30 -6.961 -5.860 -7.986 205 HB2 PHE 30 HB2 PHE 30 -6.774 -5.277 -5.595 206 HB3 PHE 30 HB1 PHE 30 -6.838 -7.005 -5.868 207 HD1 PHE 30 HD2 PHE 30 -4.686 -8.326 -5.640 208 HD2 PHE 30 HD1 PHE 30 -4.992 -4.250 -4.464 209 HE1 PHE 30 HE2 PHE 30 -2.674 -8.578 -4.262 210 HE2 PHE 30 HE1 PHE 30 -2.978 -4.501 -3.079 211 HZ PHE 30 HZ PHE 30 -1.820 -6.665 -2.978 212 H LEU 31 HN LEU 31 -4.306 -5.335 -9.226 213 HA LEU 31 HA LEU 31 -3.188 -3.113 -7.892 214 HB2 LEU 31 HB2 LEU 31 -2.648 -4.234 -10.624 215 HB3 LEU 31 HB1 LEU 31 -1.810 -2.839 -9.984 216 HG LEU 31 HG LEU 31 -0.373 -4.670 -9.697 217 HD11 LEU 31 HD11 LEU 31 -1.669 -4.111 -7.054 218 HD12 LEU 31 HD12 LEU 31 -0.377 -3.189 -7.824 219 HD13 LEU 31 HD13 LEU 31 -0.079 -4.842 -7.283 220 HD21 LEU 31 HD21 LEU 31 -2.628 -6.176 -8.368 221 HD22 LEU 31 HD22 LEU 31 -0.962 -6.740 -8.506 222 HD23 LEU 31 HD23 LEU 31 -1.941 -6.517 -9.955 223 H ASP 32 HN ASP 32 -5.802 -3.306 -10.106 224 HA ASP 32 HA ASP 32 -5.532 -0.404 -10.538 225 HB2 ASP 32 HB2 ASP 32 -7.022 -0.523 -12.437 226 HB3 ASP 32 HB1 ASP 32 -5.786 -1.750 -12.636 227 H LEU 33 HN LEU 33 -6.828 -2.230 -8.297 228 HA LEU 33 HA LEU 33 -9.529 -1.309 -8.233 229 HB2 LEU 33 HB2 LEU 33 -7.808 -2.289 -5.953 230 HB3 LEU 33 HB1 LEU 33 -9.524 -1.975 -5.851 231 HG LEU 33 HG LEU 33 -8.139 -4.180 -7.351 232 HD11 LEU 33 HD11 LEU 33 -10.142 -4.122 -5.125 233 HD12 LEU 33 HD12 LEU 33 -8.427 -4.510 -4.976 234 HD13 LEU 33 HD13 LEU 33 -9.503 -5.584 -5.883 235 HD21 LEU 33 HD21 LEU 33 -10.336 -4.911 -8.072 236 HD22 LEU 33 HD22 LEU 33 -9.963 -3.317 -8.734 237 HD23 LEU 33 HD23 LEU 33 -11.069 -3.468 -7.366 238 H ARG 34 HN ARG 34 -10.278 0.511 -7.538 239 HA ARG 34 HA ARG 34 -8.294 2.535 -6.835 240 HB2 ARG 34 HB2 ARG 34 -11.255 2.967 -7.207 241 HB3 ARG 34 HB1 ARG 34 -9.982 4.176 -7.255 242 HG2 ARG 34 HG2 ARG 34 -10.366 1.968 -9.260 243 HG3 ARG 34 HG1 ARG 34 -10.878 3.638 -9.468 244 HD2 ARG 34 HD2 ARG 34 -8.598 4.390 -9.478 245 HD3 ARG 34 HD1 ARG 34 -8.001 2.779 -9.049 246 HE ARG 34 HE ARG 34 -9.356 2.237 -11.249 247 HH11 ARG 34 HH11 ARG 34 -6.961 4.837 -10.744 248 HH12 ARG 34 HH12 ARG 34 -6.520 4.883 -12.379 249 HH21 ARG 34 HH21 ARG 34 -8.754 2.406 -13.510 250 HH22 ARG 34 HH22 ARG 34 -7.524 3.519 -13.948 251 H PHE 35 HN PHE 35 -8.283 3.611 -4.914 252 HA PHE 35 HA PHE 35 -9.066 2.028 -2.753 253 HB2 PHE 35 HB2 PHE 35 -7.920 4.802 -2.769 254 HB3 PHE 35 HB1 PHE 35 -8.181 3.854 -1.302 255 HD1 PHE 35 HD2 PHE 35 -7.068 1.595 -1.147 256 HD2 PHE 35 HD1 PHE 35 -6.015 4.486 -4.061 257 HE1 PHE 35 HE2 PHE 35 -4.923 0.483 -1.458 258 HE2 PHE 35 HE1 PHE 35 -3.848 3.375 -4.392 259 HZ PHE 35 HZ PHE 35 -3.344 1.297 -3.173 260 H GLU 36 HN GLU 36 -10.751 4.644 -4.215 261 HA GLU 36 HA GLU 36 -12.517 5.285 -2.075 262 HB2 GLU 36 HB2 GLU 36 -13.254 5.165 -4.993 263 HB3 GLU 36 HB1 GLU 36 -13.965 6.179 -3.752 264 HG2 GLU 36 HG2 GLU 36 -12.044 7.563 -3.672 265 HG3 GLU 36 HG1 GLU 36 -11.123 6.446 -4.685 266 H ASP 37 HN ASP 37 -12.722 3.064 -4.795 267 HA ASP 37 HA ASP 37 -15.137 1.823 -4.247 268 HB2 ASP 37 HB2 ASP 37 -14.183 1.608 -6.398 269 HB3 ASP 37 HB1 ASP 37 -12.695 0.934 -5.756 270 H ILE 38 HN ILE 38 -11.870 0.928 -3.192 271 HA ILE 38 HA ILE 38 -13.018 -1.327 -1.777 272 HB ILE 38 HB ILE 38 -10.751 -2.016 -1.146 273 HG12 ILE 38 HG12 ILE 38 -9.832 0.417 -2.707 274 HG13 ILE 38 HG11 ILE 38 -9.740 0.246 -0.959 275 HG21 ILE 38 HG21 ILE 38 -9.956 -2.519 -3.421 276 HG22 ILE 38 HG22 ILE 38 -11.096 -1.322 -4.048 277 HG23 ILE 38 HG23 ILE 38 -11.696 -2.768 -3.237 278 HD11 ILE 38 HD11 ILE 38 -8.195 -1.629 -1.226 279 HD12 ILE 38 HD12 ILE 38 -7.589 -0.166 -1.999 280 HD13 ILE 38 HD13 ILE 38 -8.290 -1.456 -2.980 281 H GLY 39 HN GLY 39 -13.186 1.629 -0.998 282 HA2 GLY 39 HA2 GLY 39 -13.721 2.691 0.984 283 HA3 GLY 39 HA1 GLY 39 -13.665 1.114 1.754 284 H TYR 40 HN TYR 40 -11.111 2.955 0.153 285 HA TYR 40 HA TYR 40 -9.723 3.132 2.725 286 HB2 TYR 40 HB2 TYR 40 -8.831 1.899 0.236 287 HB3 TYR 40 HB1 TYR 40 -7.703 3.102 0.854 288 HD1 TYR 40 HD1 TYR 40 -6.713 2.844 3.044 289 HD2 TYR 40 HD2 TYR 40 -9.150 -0.207 1.373 290 HE1 TYR 40 HE1 TYR 40 -5.833 1.269 4.687 291 HE2 TYR 40 HE2 TYR 40 -8.264 -1.815 3.025 292 HH TYR 40 HH TYR 40 -6.372 -2.081 4.463 293 H ASP 41 HN ASP 41 -8.992 5.045 3.241 294 HA ASP 41 HA ASP 41 -9.082 7.174 1.195 295 HB2 ASP 41 HB2 ASP 41 -8.874 7.494 4.199 296 HB3 ASP 41 HB1 ASP 41 -9.046 8.789 3.024 297 H SER 42 HN SER 42 -7.379 8.834 1.455 298 HA SER 42 HA SER 42 -4.810 7.802 1.123 299 HB2 SER 42 HB2 SER 42 -4.168 10.219 1.395 300 HB3 SER 42 HB1 SER 42 -5.443 9.914 0.206 301 H LEU 43 HN LEU 43 -6.419 9.230 3.819 302 HA LEU 43 HA LEU 43 -4.376 9.403 5.693 303 HB2 LEU 43 HB2 LEU 43 -7.293 8.805 6.117 304 HB3 LEU 43 HB1 LEU 43 -6.184 9.334 7.362 305 HG LEU 43 HG LEU 43 -6.958 10.947 4.931 306 HD11 LEU 43 HD11 LEU 43 -8.813 10.690 6.471 307 HD12 LEU 43 HD12 LEU 43 -8.185 12.341 6.513 308 HD13 LEU 43 HD13 LEU 43 -7.792 11.213 7.808 309 HD21 LEU 43 HD21 LEU 43 -5.316 11.683 7.357 310 HD22 LEU 43 HD22 LEU 43 -5.808 12.788 6.072 311 HD23 LEU 43 HD23 LEU 43 -4.703 11.461 5.719 312 H ALA 44 HN ALA 44 -6.583 6.727 4.967 313 HA ALA 44 HA ALA 44 -5.479 4.975 6.910 314 HB1 ALA 44 HB1 ALA 44 -7.755 4.704 6.066 315 HB2 ALA 44 HB2 ALA 44 -6.793 3.248 5.804 316 HB3 ALA 44 HB3 ALA 44 -7.118 4.343 4.462 317 H LEU 45 HN LEU 45 -4.858 5.661 3.555 318 HA LEU 45 HA LEU 45 -3.121 3.506 3.042 319 HB2 LEU 45 HB2 LEU 45 -3.284 6.233 1.779 320 HB3 LEU 45 HB1 LEU 45 -2.316 4.910 1.154 321 HG LEU 45 HG LEU 45 -5.308 4.838 1.476 322 HD11 LEU 45 HD11 LEU 45 -5.379 4.989 -0.958 323 HD12 LEU 45 HD12 LEU 45 -3.630 5.216 -0.991 324 HD13 LEU 45 HD13 LEU 45 -4.662 6.431 -0.236 325 HD21 LEU 45 HD21 LEU 45 -3.373 2.942 0.165 326 HD22 LEU 45 HD22 LEU 45 -5.131 2.802 0.134 327 HD23 LEU 45 HD23 LEU 45 -4.260 2.659 1.664 328 H MET 46 HN MET 46 -2.610 6.685 4.397 329 HA MET 46 HA MET 46 0.217 6.564 4.569 330 HB2 MET 46 HB2 MET 46 -1.744 8.000 6.381 331 HB3 MET 46 HB1 MET 46 -0.006 8.235 6.411 332 HG2 MET 46 HG2 MET 46 -0.067 9.155 4.157 333 HG3 MET 46 HG1 MET 46 -1.799 8.802 4.080 334 HE1 MET 46 HE1 MET 46 -0.610 11.685 3.445 335 HE2 MET 46 HE2 MET 46 -1.780 12.709 4.281 336 HE3 MET 46 HE3 MET 46 -2.327 11.295 3.384 337 H GLU 47 HN GLU 47 -2.376 5.444 6.608 338 HA GLU 47 HA GLU 47 -0.869 4.543 8.807 339 HB2 GLU 47 HB2 GLU 47 -3.282 4.841 8.899 340 HB3 GLU 47 HB1 GLU 47 -3.514 3.632 7.660 341 HG2 GLU 47 HG2 GLU 47 -4.118 2.799 9.879 342 HG3 GLU 47 HG1 GLU 47 -2.806 1.876 9.158 343 H THR 48 HN THR 48 -2.049 2.836 5.893 344 HA THR 48 HA THR 48 -0.892 0.354 6.224 345 HB THR 48 HB THR 48 -1.053 1.887 3.607 346 HG1 THR 48 HG1 THR 48 -3.121 0.437 4.958 347 HG21 THR 48 HG21 THR 48 0.040 -0.319 3.500 348 HG22 THR 48 HG22 THR 48 -1.508 -0.332 2.654 349 HG23 THR 48 HG23 THR 48 -1.375 -1.054 4.255 350 H ALA 49 HN ALA 49 0.426 3.195 4.491 351 HA ALA 49 HA ALA 49 2.915 2.174 3.824 352 HB1 ALA 49 HB1 ALA 49 1.964 4.215 2.849 353 HB2 ALA 49 HB2 ALA 49 3.603 4.473 3.448 354 HB3 ALA 49 HB3 ALA 49 2.223 5.057 4.378 355 H ALA 50 HN ALA 50 2.065 4.177 6.654 356 HA ALA 50 HA ALA 50 4.581 4.386 7.813 357 HB1 ALA 50 HB1 ALA 50 3.416 4.883 9.883 358 HB2 ALA 50 HB2 ALA 50 1.925 4.212 9.221 359 HB3 ALA 50 HB3 ALA 50 2.624 5.673 8.518 360 H ARG 51 HN ARG 51 2.155 1.886 8.173 361 HA ARG 51 HA ARG 51 3.508 0.441 10.190 362 HB2 ARG 51 HB2 ARG 51 1.092 0.278 9.710 363 HB3 ARG 51 HB1 ARG 51 1.472 -0.505 8.185 364 HG2 ARG 51 HG2 ARG 51 2.442 -2.377 9.356 365 HG3 ARG 51 HG1 ARG 51 2.148 -1.578 10.908 366 HD2 ARG 51 HD2 ARG 51 -0.249 -1.532 10.401 367 HD3 ARG 51 HD1 ARG 51 0.110 -2.361 8.883 368 HE ARG 51 HE ARG 51 1.127 -4.083 10.494 369 HH11 ARG 51 HH11 ARG 51 -1.801 -2.201 11.046 370 HH12 ARG 51 HH12 ARG 51 -2.660 -3.408 11.867 371 HH21 ARG 51 HH21 ARG 51 -0.028 -5.829 11.633 372 HH22 ARG 51 HH22 ARG 51 -1.634 -5.563 12.169 373 H LEU 52 HN LEU 52 3.241 0.064 6.683 374 HA LEU 52 HA LEU 52 5.004 -2.107 6.505 375 HB2 LEU 52 HB2 LEU 52 4.248 -0.053 4.441 376 HB3 LEU 52 HB1 LEU 52 5.167 -1.504 4.090 377 HG LEU 52 HG LEU 52 2.355 -1.464 5.191 378 HD11 LEU 52 HD11 LEU 52 3.347 -2.125 2.431 379 HD12 LEU 52 HD12 LEU 52 2.478 -0.665 2.892 380 HD13 LEU 52 HD13 LEU 52 1.680 -2.231 2.994 381 HD21 LEU 52 HD21 LEU 52 2.389 -3.869 4.718 382 HD22 LEU 52 HD22 LEU 52 3.612 -3.425 5.906 383 HD23 LEU 52 HD23 LEU 52 4.082 -3.755 4.240 384 H GLU 53 HN GLU 53 5.656 1.361 6.558 385 HA GLU 53 HA GLU 53 8.372 1.305 5.907 386 HB2 GLU 53 HB2 GLU 53 6.973 3.030 7.954 387 HB3 GLU 53 HB1 GLU 53 8.621 3.280 7.415 388 HG2 GLU 53 HG2 GLU 53 7.760 3.669 5.140 389 HG3 GLU 53 HG1 GLU 53 6.118 3.520 5.781 390 H SER 54 HN SER 54 6.733 0.948 8.966 391 HA SER 54 HA SER 54 8.964 0.539 10.624 392 HB2 SER 54 HB2 SER 54 6.681 1.209 11.387 393 HB3 SER 54 HB1 SER 54 6.078 -0.376 10.936 394 HG SER 54 HG SER 54 8.037 0.202 12.917 395 H ARG 55 HN ARG 55 6.752 -1.648 8.983 396 HA ARG 55 HA ARG 55 7.770 -4.055 9.972 397 HB2 ARG 55 HB2 ARG 55 5.521 -3.909 9.189 398 HB3 ARG 55 HB1 ARG 55 6.044 -3.426 7.587 399 HG2 ARG 55 HG2 ARG 55 7.026 -5.637 7.253 400 HG3 ARG 55 HG1 ARG 55 6.487 -6.111 8.864 401 HD2 ARG 55 HD2 ARG 55 4.198 -5.951 8.238 402 HD3 ARG 55 HD1 ARG 55 4.600 -5.139 6.721 403 HE ARG 55 HE ARG 55 5.774 -7.729 7.059 404 HH11 ARG 55 HH11 ARG 55 2.707 -6.206 5.999 405 HH12 ARG 55 HH12 ARG 55 2.561 -7.247 4.665 406 HH21 ARG 55 HH21 ARG 55 5.433 -9.171 5.287 407 HH22 ARG 55 HH22 ARG 55 4.133 -8.944 4.226 408 H TYR 56 HN TYR 56 8.345 -2.476 6.787 409 HA TYR 56 HA TYR 56 10.262 -4.588 6.185 410 HB2 TYR 56 HB2 TYR 56 8.783 -2.648 4.482 411 HB3 TYR 56 HB1 TYR 56 10.302 -3.312 3.889 412 HD1 TYR 56 HD1 TYR 56 6.881 -4.097 4.924 413 HD2 TYR 56 HD2 TYR 56 10.443 -5.627 3.180 414 HE1 TYR 56 HE1 TYR 56 5.646 -6.071 4.176 415 HE2 TYR 56 HE2 TYR 56 9.218 -7.618 2.426 416 HH TYR 56 HH TYR 56 7.189 -8.865 2.913 417 H GLY 57 HN GLY 57 10.358 -1.374 7.273 418 HA2 GLY 57 HA2 GLY 57 12.258 -0.240 7.936 419 HA3 GLY 57 HA1 GLY 57 13.240 -1.453 7.125 420 H VAL 58 HN VAL 58 10.755 0.859 6.130 421 HA VAL 58 HA VAL 58 12.641 1.940 4.181 422 HB VAL 58 HB VAL 58 10.789 2.309 2.531 423 HG11 VAL 58 HG11 VAL 58 11.321 -0.562 3.246 424 HG12 VAL 58 HG12 VAL 58 12.319 0.472 2.215 425 HG13 VAL 58 HG13 VAL 58 10.689 0.014 1.704 426 HG21 VAL 58 HG21 VAL 58 9.232 0.456 4.333 427 HG22 VAL 58 HG22 VAL 58 8.727 0.986 2.729 428 HG23 VAL 58 HG23 VAL 58 8.883 2.159 4.037 429 H SER 59 HN SER 59 11.640 4.067 3.200 430 HA SER 59 HA SER 59 10.361 5.566 5.359 431 HB2 SER 59 HB2 SER 59 12.680 6.509 3.645 432 HB3 SER 59 HB1 SER 59 11.891 7.422 4.933 433 HG SER 59 HG SER 59 12.471 5.453 6.228 434 H ILE 60 HN ILE 60 8.474 6.141 4.574 435 HA ILE 60 HA ILE 60 8.271 7.093 1.791 436 HB ILE 60 HB ILE 60 6.226 5.425 3.294 437 HG12 ILE 60 HG12 ILE 60 7.846 4.733 0.826 438 HG13 ILE 60 HG11 ILE 60 8.169 4.123 2.444 439 HG21 ILE 60 HG21 ILE 60 4.922 5.469 1.209 440 HG22 ILE 60 HG22 ILE 60 6.103 6.573 0.503 441 HG23 ILE 60 HG23 ILE 60 5.138 7.083 1.889 442 HD11 ILE 60 HD11 ILE 60 5.687 3.614 0.816 443 HD12 ILE 60 HD12 ILE 60 5.999 2.998 2.439 444 HD13 ILE 60 HD13 ILE 60 7.007 2.478 1.089 445 HA PRO 61 HA PRO 61 6.866 10.689 4.169 446 HB2 PRO 61 HB2 PRO 61 6.307 11.641 1.405 447 HB3 PRO 61 HB1 PRO 61 7.204 12.433 2.704 448 HG2 PRO 61 HG2 PRO 61 8.492 11.361 0.640 449 HG3 PRO 61 HG1 PRO 61 9.142 11.233 2.284 450 HD2 PRO 61 HD2 PRO 61 7.718 9.171 0.650 451 HD3 PRO 61 HD1 PRO 61 9.108 8.980 1.738 452 H ASP 62 HN ASP 62 4.903 11.589 4.585 453 HA ASP 62 HA ASP 62 2.685 9.841 4.453 454 HB2 ASP 62 HB2 ASP 62 2.694 12.773 5.205 455 HB3 ASP 62 HB1 ASP 62 1.453 11.595 5.610 456 H ASP 63 HN ASP 63 3.453 12.842 2.853 457 HA ASP 63 HA ASP 63 1.104 13.441 1.488 458 HB2 ASP 63 HB2 ASP 63 3.951 13.835 0.534 459 HB3 ASP 63 HB1 ASP 63 2.538 14.626 -0.151 460 H VAL 64 HN VAL 64 3.718 11.326 0.606 461 HA VAL 64 HA VAL 64 3.068 10.696 -2.056 462 HB VAL 64 HB VAL 64 4.400 9.000 0.029 463 HG11 VAL 64 HG11 VAL 64 5.555 7.931 -1.913 464 HG12 VAL 64 HG12 VAL 64 4.600 8.932 -3.005 465 HG13 VAL 64 HG13 VAL 64 3.804 7.726 -1.993 466 HG21 VAL 64 HG21 VAL 64 5.484 11.149 -0.138 467 HG22 VAL 64 HG22 VAL 64 5.604 10.991 -1.891 468 HG23 VAL 64 HG23 VAL 64 6.524 9.912 -0.840 469 H ALA 65 HN ALA 65 2.311 9.069 0.999 470 HA ALA 65 HA ALA 65 0.919 6.892 -0.125 471 HB1 ALA 65 HB1 ALA 65 0.656 8.064 2.638 472 HB2 ALA 65 HB2 ALA 65 1.844 6.861 2.141 473 HB3 ALA 65 HB3 ALA 65 0.125 6.459 2.140 474 H GLY 66 HN GLY 66 -0.016 10.137 0.415 475 HA2 GLY 66 HA2 GLY 66 -2.857 9.566 0.293 476 HA3 GLY 66 HA1 GLY 66 -2.112 11.157 0.361 477 H ARG 67 HN ARG 67 -0.395 9.698 -1.943 478 HA ARG 67 HA ARG 67 -2.092 10.799 -4.072 479 HB2 ARG 67 HB2 ARG 67 0.887 10.498 -3.873 480 HB3 ARG 67 HB1 ARG 67 0.046 11.017 -5.328 481 HG2 ARG 67 HG2 ARG 67 -0.792 12.968 -4.171 482 HG3 ARG 67 HG1 ARG 67 -0.048 12.415 -2.668 483 HD2 ARG 67 HD2 ARG 67 2.149 12.567 -3.702 484 HD3 ARG 67 HD1 ARG 67 1.405 13.105 -5.209 485 HE ARG 67 HE ARG 67 0.493 14.963 -3.706 486 HH11 ARG 67 HH11 ARG 67 3.688 13.461 -3.368 487 HH12 ARG 67 HH12 ARG 67 4.448 14.847 -2.769 488 HH21 ARG 67 HH21 ARG 67 1.579 16.935 -2.953 489 HH22 ARG 67 HH22 ARG 67 3.239 16.880 -2.570 490 H VAL 68 HN VAL 68 -1.442 7.876 -2.858 491 HA VAL 68 HA VAL 68 -0.911 6.633 -5.407 492 HB VAL 68 HB VAL 68 -1.026 4.437 -4.182 493 HG11 VAL 68 HG11 VAL 68 1.032 4.740 -2.883 494 HG12 VAL 68 HG12 VAL 68 0.822 6.487 -2.976 495 HG13 VAL 68 HG13 VAL 68 1.100 5.553 -4.445 496 HG21 VAL 68 HG21 VAL 68 -1.369 6.158 -1.723 497 HG22 VAL 68 HG22 VAL 68 -1.066 4.417 -1.731 498 HG23 VAL 68 HG23 VAL 68 -2.573 5.055 -2.390 499 H ASP 69 HN ASP 69 -2.438 6.691 -6.772 500 HA ASP 69 HA ASP 69 -5.234 6.741 -6.174 501 HB2 ASP 69 HB2 ASP 69 -4.225 7.829 -8.181 502 HB3 ASP 69 HB1 ASP 69 -3.848 6.236 -8.807 503 H THR 70 HN THR 70 -2.978 4.298 -7.320 504 HA THR 70 HA THR 70 -5.058 2.248 -7.042 505 HB THR 70 HB THR 70 -3.911 1.059 -8.885 506 HG1 THR 70 HG1 THR 70 -2.422 2.288 -10.143 507 HG21 THR 70 HG21 THR 70 -4.673 2.515 -10.729 508 HG22 THR 70 HG22 THR 70 -4.785 3.865 -9.594 509 HG23 THR 70 HG23 THR 70 -5.851 2.474 -9.413 510 HA PRO 71 HA PRO 71 -2.031 0.079 -4.513 511 HB2 PRO 71 HB2 PRO 71 -2.861 -2.396 -5.930 512 HB3 PRO 71 HB1 PRO 71 -2.895 -2.030 -4.200 513 HG2 PRO 71 HG2 PRO 71 -5.147 -2.101 -5.586 514 HG3 PRO 71 HG1 PRO 71 -4.889 -0.842 -4.358 515 HD2 PRO 71 HD2 PRO 71 -4.594 -0.667 -7.339 516 HD3 PRO 71 HD1 PRO 71 -5.402 0.459 -6.230 517 H ARG 72 HN ARG 72 -2.143 -0.166 -7.969 518 HA ARG 72 HA ARG 72 0.327 -1.465 -8.371 519 HB2 ARG 72 HB2 ARG 72 -1.134 -1.329 -10.231 520 HB3 ARG 72 HB1 ARG 72 -1.305 0.408 -10.069 521 HG2 ARG 72 HG2 ARG 72 0.773 0.821 -11.048 522 HG3 ARG 72 HG1 ARG 72 1.336 -0.830 -10.762 523 HD2 ARG 72 HD2 ARG 72 -0.935 -0.108 -12.611 524 HD3 ARG 72 HD1 ARG 72 0.734 -0.369 -13.141 525 HE ARG 72 HE ARG 72 0.409 -2.576 -11.882 526 HH11 ARG 72 HH11 ARG 72 -2.130 -1.036 -13.877 527 HH12 ARG 72 HH12 ARG 72 -2.851 -2.498 -14.329 528 HH21 ARG 72 HH21 ARG 72 -0.556 -4.571 -12.546 529 HH22 ARG 72 HH22 ARG 72 -1.923 -4.602 -13.546 530 H GLU 73 HN GLU 73 -0.555 1.923 -8.034 531 HA GLU 73 HA GLU 73 2.022 3.044 -8.332 532 HB2 GLU 73 HB2 GLU 73 -0.139 4.303 -8.420 533 HB3 GLU 73 HB1 GLU 73 -0.334 4.036 -6.697 534 HG2 GLU 73 HG2 GLU 73 0.438 6.250 -7.019 535 HG3 GLU 73 HG1 GLU 73 1.774 5.334 -6.335 536 H LEU 74 HN LEU 74 0.135 1.958 -5.595 537 HA LEU 74 HA LEU 74 1.913 2.631 -3.516 538 HB2 LEU 74 HB2 LEU 74 -0.576 2.074 -3.397 539 HB3 LEU 74 HB1 LEU 74 -0.135 0.395 -3.534 540 HG LEU 74 HG LEU 74 0.700 2.170 -1.216 541 HD11 LEU 74 HD11 LEU 74 -1.718 1.999 -1.316 542 HD12 LEU 74 HD12 LEU 74 -1.077 1.072 0.040 543 HD13 LEU 74 HD13 LEU 74 -1.601 0.242 -1.425 544 HD21 LEU 74 HD21 LEU 74 1.126 0.056 -0.069 545 HD22 LEU 74 HD22 LEU 74 2.100 0.166 -1.538 546 HD23 LEU 74 HD23 LEU 74 0.650 -0.835 -1.514 547 H LEU 75 HN LEU 75 1.399 -0.438 -5.272 548 HA LEU 75 HA LEU 75 3.313 -2.017 -4.007 549 HB2 LEU 75 HB2 LEU 75 1.640 -2.930 -5.541 550 HB3 LEU 75 HB1 LEU 75 2.389 -2.097 -6.886 551 HG LEU 75 HG LEU 75 4.445 -3.528 -6.519 552 HD11 LEU 75 HD11 LEU 75 4.233 -5.543 -5.212 553 HD12 LEU 75 HD12 LEU 75 2.643 -5.029 -4.656 554 HD13 LEU 75 HD13 LEU 75 4.075 -4.103 -4.206 555 HD21 LEU 75 HD21 LEU 75 2.820 -4.051 -8.258 556 HD22 LEU 75 HD22 LEU 75 1.862 -4.969 -7.097 557 HD23 LEU 75 HD23 LEU 75 3.476 -5.523 -7.542 558 H ASP 76 HN ASP 76 3.558 -0.058 -6.940 559 HA ASP 76 HA ASP 76 6.190 -0.684 -7.631 560 HB2 ASP 76 HB2 ASP 76 4.628 0.504 -9.123 561 HB3 ASP 76 HB1 ASP 76 4.737 1.926 -8.091 562 H LEU 77 HN LEU 77 4.926 1.928 -5.666 563 HA LEU 77 HA LEU 77 7.216 3.354 -5.068 564 HB2 LEU 77 HB2 LEU 77 5.008 4.100 -4.477 565 HB3 LEU 77 HB1 LEU 77 4.790 2.742 -3.399 566 HG LEU 77 HG LEU 77 6.581 3.671 -1.950 567 HD11 LEU 77 HD11 LEU 77 6.389 6.062 -3.775 568 HD12 LEU 77 HD12 LEU 77 7.781 4.994 -3.593 569 HD13 LEU 77 HD13 LEU 77 7.254 5.993 -2.239 570 HD21 LEU 77 HD21 LEU 77 4.219 5.460 -2.493 571 HD22 LEU 77 HD22 LEU 77 5.184 5.444 -1.017 572 HD23 LEU 77 HD23 LEU 77 4.229 4.030 -1.460 573 H ILE 78 HN ILE 78 5.728 0.817 -3.114 574 HA ILE 78 HA ILE 78 7.852 0.706 -1.250 575 HB ILE 78 HB ILE 78 5.560 -1.194 -1.755 576 HG12 ILE 78 HG12 ILE 78 6.007 1.010 0.268 577 HG13 ILE 78 HG11 ILE 78 4.893 1.045 -1.090 578 HG21 ILE 78 HG21 ILE 78 7.492 -1.118 0.579 579 HG22 ILE 78 HG22 ILE 78 7.368 -2.390 -0.643 580 HG23 ILE 78 HG23 ILE 78 6.038 -2.119 0.477 581 HD11 ILE 78 HD11 ILE 78 3.737 0.663 0.990 582 HD12 ILE 78 HD12 ILE 78 4.737 -0.750 1.305 583 HD13 ILE 78 HD13 ILE 78 3.607 -0.756 -0.054 584 H ASN 79 HN ASN 79 6.871 -1.501 -3.852 585 HA ASN 79 HA ASN 79 8.787 -3.493 -3.385 586 HB2 ASN 79 HB2 ASN 79 6.752 -3.644 -4.874 587 HB3 ASN 79 HB1 ASN 79 7.653 -2.736 -6.079 588 HD21 ASN 79 HD21 ASN 79 7.189 -5.746 -4.522 589 HD22 ASN 79 HD22 ASN 79 8.242 -6.673 -5.492 590 H GLY 80 HN GLY 80 8.880 -0.630 -5.479 591 HA2 GLY 80 HA2 GLY 80 11.427 -1.116 -6.597 592 HA3 GLY 80 HA1 GLY 80 10.607 0.437 -6.534 593 H ALA 81 HN ALA 81 10.381 0.530 -3.677 594 HA ALA 81 HA ALA 81 12.930 1.631 -3.043 595 HB1 ALA 81 HB1 ALA 81 10.565 1.087 -1.241 596 HB2 ALA 81 HB2 ALA 81 10.846 2.576 -2.143 597 HB3 ALA 81 HB3 ALA 81 11.950 2.107 -0.850 598 H LEU 82 HN LEU 82 11.229 -1.319 -2.308 599 HA LEU 82 HA LEU 82 12.936 -2.317 -0.307 600 HB2 LEU 82 HB2 LEU 82 11.038 -3.693 -2.171 601 HB3 LEU 82 HB1 LEU 82 11.933 -4.539 -0.928 602 HG LEU 82 HG LEU 82 9.921 -2.345 -0.461 603 HD11 LEU 82 HD11 LEU 82 8.550 -4.145 0.467 604 HD12 LEU 82 HD12 LEU 82 9.778 -5.321 -0.005 605 HD13 LEU 82 HD13 LEU 82 8.905 -4.414 -1.237 606 HD21 LEU 82 HD21 LEU 82 11.679 -2.359 1.228 607 HD22 LEU 82 HD22 LEU 82 11.439 -4.089 1.474 608 HD23 LEU 82 HD23 LEU 82 10.161 -2.954 1.901 609 H ALA 83 HN ALA 83 13.378 -2.130 -3.678 610 HA ALA 83 HA ALA 83 15.204 -4.323 -3.893 611 HB1 ALA 83 HB1 ALA 83 14.839 -1.941 -5.711 612 HB2 ALA 83 HB2 ALA 83 13.969 -3.471 -5.831 613 HB3 ALA 83 HB3 ALA 83 15.711 -3.422 -6.107 614 H GLU 84 HN GLU 84 15.413 -1.429 -2.394 615 HA GLU 84 HA GLU 84 18.360 -1.494 -2.361 616 HB2 GLU 84 HB2 GLU 84 17.570 0.531 -3.532 617 HB3 GLU 84 HB1 GLU 84 16.535 0.925 -2.169 618 HG2 GLU 84 HG2 GLU 84 18.423 2.334 -2.035 619 HG3 GLU 84 HG1 GLU 84 18.602 1.124 -0.772 620 H ALA 85 HN ALA 85 15.460 -0.325 -0.696 621 HA ALA 85 HA ALA 85 14.852 -0.042 1.389 622 HB1 ALA 85 HB1 ALA 85 15.066 -1.927 2.916 623 HB2 ALA 85 HB2 ALA 85 16.358 -2.611 1.930 624 HB3 ALA 85 HB3 ALA 85 14.718 -2.510 1.288 625 H ALA 86 HN ALA 86 16.227 1.821 1.306 626 HA ALA 86 HA ALA 86 18.067 1.793 3.548 627 HB1 ALA 86 HB1 ALA 86 18.658 3.035 0.850 628 HB2 ALA 86 HB2 ALA 86 19.470 1.629 1.536 629 HB3 ALA 86 HB3 ALA 86 19.647 3.210 2.298 630 H28 SXV 87 H28A SXV 87 -5.751 13.915 2.866 631 H28A SXV 87 H28B SXV 87 -4.463 12.711 2.809 632 H30 SXV 87 H30C SXV 87 -4.094 15.400 3.887 633 H30A SXV 87 H30A SXV 87 -2.588 15.789 3.058 634 H30B SXV 87 H30B SXV 87 -2.850 14.164 3.693 635 H31 SXV 87 H31C SXV 87 -2.189 14.859 0.686 636 H31A SXV 87 H31A SXV 87 -3.249 13.548 0.158 637 H31B SXV 87 H31B SXV 87 -2.230 13.341 1.577 638 H32 SXV 87 H32A SXV 87 -3.919 16.610 0.970 639 HO33 SXV 87 H33A SXV 87 -6.397 16.376 1.752 640 HN36 SXV 87 H36A SXV 87 -4.003 14.988 -1.033 641 H37 SXV 87 H37B SXV 87 -5.787 15.591 -2.868 642 H37A SXV 87 H37A SXV 87 -6.685 14.370 -1.969 643 H38 SXV 87 H38B SXV 87 -4.883 12.753 -2.371 644 H38A SXV 87 H38A SXV 87 -4.004 13.963 -3.293 645 HN41 SXV 87 H41A SXV 87 -7.043 14.663 -4.069 646 H42 SXV 87 H42B SXV 87 -8.198 12.779 -5.614 647 H42A SXV 87 H42A SXV 87 -7.002 13.518 -6.674 648 H43 SXV 87 H43B SXV 87 -7.990 15.655 -6.340 649 H43A SXV 87 H43A SXV 87 -9.307 14.560 -6.724 650 H1 SXV 87 H1B SXV 87 -10.964 13.588 -4.887 651 H1A SXV 87 H1A SXV 87 -9.581 12.943 -3.986 652 H2 SXV 87 H2A SXV 87 -11.634 12.895 -2.708 653 H2A SXV 87 H2B SXV 87 -11.676 14.662 -2.727 654 H4 SXV 87 H4C SXV 87 -9.094 12.201 -0.629 655 H4A SXV 87 H4A SXV 87 -10.774 11.860 -1.059 656 H4B SXV 87 H4B SXV 87 -10.407 12.876 0.343 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 20.770 -10.665 -1.779 2 H2 MET 1 HT2 MET 1 19.581 -10.094 -0.678 3 H3 MET 1 HT3 MET 1 20.674 -9.032 -1.337 4 HA MET 1 HA MET 1 19.770 -9.290 -3.511 5 HB2 MET 1 HB2 MET 1 17.787 -10.677 -3.889 6 HB3 MET 1 HB1 MET 1 19.089 -11.679 -3.267 7 HG2 MET 1 HG2 MET 1 18.071 -11.616 -1.042 8 HG3 MET 1 HG1 MET 1 16.777 -10.598 -1.662 9 HE1 MET 1 HE1 MET 1 18.434 -14.155 -1.726 10 HE2 MET 1 HE2 MET 1 18.498 -13.689 -3.426 11 HE3 MET 1 HE3 MET 1 17.438 -15.000 -2.910 12 H ALA 2 HN ALA 2 17.838 -8.086 -4.129 13 HA ALA 2 HA ALA 2 16.876 -6.457 -1.926 14 HB1 ALA 2 HB1 ALA 2 15.854 -5.067 -3.678 15 HB2 ALA 2 HB2 ALA 2 16.352 -6.239 -4.896 16 HB3 ALA 2 HB3 ALA 2 17.568 -5.330 -4.002 17 H THR 3 HN THR 3 15.328 -7.447 -0.789 18 HA THR 3 HA THR 3 13.595 -9.371 -1.910 19 HB THR 3 HB THR 3 12.660 -9.093 0.508 20 HG1 THR 3 HG1 THR 3 13.575 -7.577 1.611 21 HG21 THR 3 HG21 THR 3 14.081 -10.961 -0.219 22 HG22 THR 3 HG22 THR 3 14.526 -10.427 1.403 23 HG23 THR 3 HG23 THR 3 15.514 -9.961 0.018 24 H LEU 4 HN LEU 4 12.028 -8.651 -3.204 25 HA LEU 4 HA LEU 4 10.675 -6.128 -2.575 26 HB2 LEU 4 HB2 LEU 4 10.510 -7.820 -5.074 27 HB3 LEU 4 HB1 LEU 4 9.827 -6.224 -4.853 28 HG LEU 4 HG LEU 4 12.767 -6.892 -4.948 29 HD11 LEU 4 HD11 LEU 4 12.758 -5.641 -7.042 30 HD12 LEU 4 HD12 LEU 4 11.007 -5.455 -6.921 31 HD13 LEU 4 HD13 LEU 4 11.714 -7.060 -7.117 32 HD21 LEU 4 HD21 LEU 4 13.127 -4.471 -4.928 33 HD22 LEU 4 HD22 LEU 4 12.339 -5.021 -3.449 34 HD23 LEU 4 HD23 LEU 4 11.397 -4.216 -4.702 35 H LEU 5 HN LEU 5 8.529 -6.126 -2.036 36 HA LEU 5 HA LEU 5 7.410 -8.706 -1.466 37 HB2 LEU 5 HB2 LEU 5 5.536 -7.468 -0.366 38 HB3 LEU 5 HB1 LEU 5 7.107 -7.139 0.310 39 HG LEU 5 HG LEU 5 7.059 -4.938 -0.992 40 HD11 LEU 5 HD11 LEU 5 4.140 -5.626 -1.279 41 HD12 LEU 5 HD12 LEU 5 5.303 -5.468 -2.594 42 HD13 LEU 5 HD13 LEU 5 4.877 -4.060 -1.619 43 HD21 LEU 5 HD21 LEU 5 5.643 -3.848 0.667 44 HD22 LEU 5 HD22 LEU 5 6.690 -5.068 1.395 45 HD23 LEU 5 HD23 LEU 5 4.982 -5.416 1.128 46 H THR 6 HN THR 6 5.386 -9.439 -2.190 47 HA THR 6 HA THR 6 5.095 -8.740 -4.982 48 HB THR 6 HB THR 6 3.741 -10.820 -5.110 49 HG1 THR 6 HG1 THR 6 4.412 -11.034 -2.324 50 HG21 THR 6 HG21 THR 6 6.428 -11.164 -3.759 51 HG22 THR 6 HG22 THR 6 6.168 -10.930 -5.487 52 HG23 THR 6 HG23 THR 6 5.591 -12.399 -4.698 53 H THR 7 HN THR 7 2.600 -9.316 -5.620 54 HA THR 7 HA THR 7 1.063 -7.132 -4.700 55 HB THR 7 HB THR 7 0.177 -9.589 -6.259 56 HG1 THR 7 HG1 THR 7 1.884 -8.639 -7.356 57 HG21 THR 7 HG21 THR 7 -1.660 -8.206 -5.448 58 HG22 THR 7 HG22 THR 7 -1.498 -8.041 -7.199 59 HG23 THR 7 HG23 THR 7 -0.895 -6.774 -6.128 60 H ASP 8 HN ASP 8 1.137 -10.602 -4.113 61 HA ASP 8 HA ASP 8 -1.119 -10.910 -2.506 62 HB2 ASP 8 HB2 ASP 8 0.244 -12.755 -3.486 63 HB3 ASP 8 HB1 ASP 8 1.499 -12.407 -2.306 64 H ASP 9 HN ASP 9 2.251 -10.191 -1.640 65 HA ASP 9 HA ASP 9 1.956 -10.055 1.170 66 HB2 ASP 9 HB2 ASP 9 3.849 -8.439 -0.573 67 HB3 ASP 9 HB1 ASP 9 3.920 -8.484 1.174 68 H LEU 10 HN LEU 10 1.693 -7.549 -1.298 69 HA LEU 10 HA LEU 10 1.120 -5.395 0.391 70 HB2 LEU 10 HB2 LEU 10 1.776 -5.131 -1.954 71 HB3 LEU 10 HB1 LEU 10 0.259 -5.838 -2.467 72 HG LEU 10 HG LEU 10 -0.936 -3.925 -1.420 73 HD11 LEU 10 HD11 LEU 10 1.833 -2.804 -1.064 74 HD12 LEU 10 HD12 LEU 10 0.718 -3.278 0.219 75 HD13 LEU 10 HD13 LEU 10 0.325 -1.918 -0.836 76 HD21 LEU 10 HD21 LEU 10 -0.357 -2.306 -3.160 77 HD22 LEU 10 HD22 LEU 10 -0.462 -3.943 -3.805 78 HD23 LEU 10 HD23 LEU 10 1.114 -3.209 -3.510 79 H ARG 11 HN ARG 11 -1.024 -7.713 -1.191 80 HA ARG 11 HA ARG 11 -3.512 -6.591 -0.559 81 HB2 ARG 11 HB2 ARG 11 -3.136 -8.570 -2.028 82 HB3 ARG 11 HB1 ARG 11 -2.846 -9.531 -0.583 83 HG2 ARG 11 HG2 ARG 11 -5.190 -8.698 0.144 84 HG3 ARG 11 HG1 ARG 11 -5.395 -8.323 -1.567 85 HD2 ARG 11 HD2 ARG 11 -6.246 -10.524 -1.123 86 HD3 ARG 11 HD1 ARG 11 -4.780 -10.655 -2.100 87 HE ARG 11 HE ARG 11 -4.833 -11.017 0.808 88 HH11 ARG 11 HH11 ARG 11 -3.814 -12.097 -2.418 89 HH12 ARG 11 HH12 ARG 11 -2.704 -13.257 -1.809 90 HH21 ARG 11 HH21 ARG 11 -3.352 -12.657 1.604 91 HH22 ARG 11 HH22 ARG 11 -2.475 -13.616 0.499 92 H ARG 12 HN ARG 12 -1.459 -8.778 1.243 93 HA ARG 12 HA ARG 12 -3.150 -9.238 3.479 94 HB2 ARG 12 HB2 ARG 12 -0.135 -9.095 3.566 95 HB3 ARG 12 HB1 ARG 12 -1.187 -9.986 4.646 96 HG2 ARG 12 HG2 ARG 12 -1.733 -11.532 2.871 97 HG3 ARG 12 HG1 ARG 12 -0.759 -10.591 1.734 98 HD2 ARG 12 HD2 ARG 12 1.181 -10.960 3.334 99 HD3 ARG 12 HD1 ARG 12 0.164 -12.162 4.126 100 HE ARG 12 HE ARG 12 0.271 -12.671 1.346 101 HH11 ARG 12 HH11 ARG 12 2.260 -13.097 4.267 102 HH12 ARG 12 HH12 ARG 12 3.300 -14.207 3.479 103 HH21 ARG 12 HH21 ARG 12 1.600 -14.148 0.416 104 HH22 ARG 12 HH22 ARG 12 2.911 -14.872 1.244 105 H ALA 13 HN ALA 13 -0.501 -6.991 2.938 106 HA ALA 13 HA ALA 13 -0.502 -5.716 5.417 107 HB1 ALA 13 HB1 ALA 13 0.447 -4.696 2.769 108 HB2 ALA 13 HB2 ALA 13 1.353 -5.742 3.865 109 HB3 ALA 13 HB3 ALA 13 0.927 -4.104 4.358 110 H LEU 14 HN LEU 14 -2.200 -4.940 2.441 111 HA LEU 14 HA LEU 14 -3.024 -2.351 3.128 112 HB2 LEU 14 HB2 LEU 14 -3.117 -3.453 0.847 113 HB3 LEU 14 HB1 LEU 14 -4.541 -4.306 1.396 114 HG LEU 14 HG LEU 14 -5.695 -2.130 1.704 115 HD11 LEU 14 HD11 LEU 14 -3.740 -0.734 2.096 116 HD12 LEU 14 HD12 LEU 14 -4.697 -0.111 0.754 117 HD13 LEU 14 HD13 LEU 14 -3.206 -0.995 0.436 118 HD21 LEU 14 HD21 LEU 14 -5.985 -1.644 -0.679 119 HD22 LEU 14 HD22 LEU 14 -5.959 -3.383 -0.376 120 HD23 LEU 14 HD23 LEU 14 -4.538 -2.584 -1.045 121 H VAL 15 HN VAL 15 -4.496 -5.508 3.700 122 HA VAL 15 HA VAL 15 -6.860 -4.489 4.899 123 HB VAL 15 HB VAL 15 -5.603 -7.245 5.212 124 HG11 VAL 15 HG11 VAL 15 -7.838 -8.001 5.901 125 HG12 VAL 15 HG12 VAL 15 -8.420 -6.337 5.832 126 HG13 VAL 15 HG13 VAL 15 -7.197 -6.793 7.016 127 HG21 VAL 15 HG21 VAL 15 -7.783 -6.278 3.366 128 HG22 VAL 15 HG22 VAL 15 -7.232 -7.947 3.526 129 HG23 VAL 15 HG23 VAL 15 -6.137 -6.713 2.902 130 H GLU 16 HN GLU 16 -3.667 -5.191 6.065 131 HA GLU 16 HA GLU 16 -4.196 -5.114 8.849 132 HB2 GLU 16 HB2 GLU 16 -1.553 -4.426 7.477 133 HB3 GLU 16 HB1 GLU 16 -1.823 -4.753 9.162 134 HG2 GLU 16 HG2 GLU 16 -2.520 -7.015 8.716 135 HG3 GLU 16 HG1 GLU 16 -2.306 -6.753 6.987 136 H SER 17 HN SER 17 -4.285 -2.696 6.544 137 HA SER 17 HA SER 17 -3.566 -0.545 8.373 138 HB2 SER 17 HB2 SER 17 -4.677 -0.336 5.599 139 HB3 SER 17 HB1 SER 17 -3.687 0.836 6.476 140 HG SER 17 HG SER 17 -2.600 -1.708 6.123 141 H ALA 18 HN ALA 18 -6.329 -2.179 7.059 142 HA ALA 18 HA ALA 18 -8.149 -0.068 7.881 143 HB1 ALA 18 HB1 ALA 18 -9.877 -1.388 6.771 144 HB2 ALA 18 HB2 ALA 18 -8.709 -2.674 6.467 145 HB3 ALA 18 HB3 ALA 18 -8.512 -1.103 5.691 146 H GLY 19 HN GLY 19 -7.518 -3.507 8.488 147 HA2 GLY 19 HA2 GLY 19 -7.613 -4.531 10.568 148 HA3 GLY 19 HA1 GLY 19 -8.466 -3.130 11.206 149 H GLU 20 HN GLU 20 -10.634 -2.780 10.146 150 HA GLU 20 HA GLU 20 -12.051 -5.325 10.214 151 HB2 GLU 20 HB2 GLU 20 -12.810 -3.553 11.752 152 HB3 GLU 20 HB1 GLU 20 -13.137 -2.511 10.375 153 HG2 GLU 20 HG2 GLU 20 -14.850 -4.029 9.598 154 HG3 GLU 20 HG1 GLU 20 -14.486 -5.143 10.917 155 H THR 21 HN THR 21 -11.900 -6.153 8.282 156 HA THR 21 HA THR 21 -13.098 -4.709 6.055 157 HB THR 21 HB THR 21 -10.683 -6.549 5.954 158 HG1 THR 21 HG1 THR 21 -10.957 -3.731 5.668 159 HG21 THR 21 HG21 THR 21 -11.953 -4.827 3.809 160 HG22 THR 21 HG22 THR 21 -12.040 -6.587 3.897 161 HG23 THR 21 HG23 THR 21 -10.490 -5.793 3.617 162 H ASP 22 HN ASP 22 -14.948 -5.729 6.550 163 HA ASP 22 HA ASP 22 -15.205 -8.423 7.284 164 HB2 ASP 22 HB2 ASP 22 -17.669 -7.975 7.109 165 HB3 ASP 22 HB1 ASP 22 -16.777 -6.857 8.135 166 H GLY 23 HN GLY 23 -17.166 -7.257 4.536 167 HA2 GLY 23 HA2 GLY 23 -16.619 -9.836 3.267 168 HA3 GLY 23 HA1 GLY 23 -18.005 -8.800 2.959 169 H THR 24 HN THR 24 -14.943 -7.357 3.148 170 HA THR 24 HA THR 24 -15.059 -6.716 0.325 171 HB THR 24 HB THR 24 -13.173 -5.697 2.475 172 HG1 THR 24 HG1 THR 24 -15.726 -4.895 1.568 173 HG21 THR 24 HG21 THR 24 -13.925 -4.572 -0.241 174 HG22 THR 24 HG22 THR 24 -12.382 -5.328 0.161 175 HG23 THR 24 HG23 THR 24 -12.844 -3.806 0.923 176 H ASP 25 HN ASP 25 -14.403 -8.632 -0.614 177 HA ASP 25 HA ASP 25 -11.985 -9.937 0.251 178 HB2 ASP 25 HB2 ASP 25 -13.726 -10.481 -2.171 179 HB3 ASP 25 HB1 ASP 25 -12.337 -11.451 -1.696 180 H LEU 26 HN LEU 26 -10.050 -9.713 -0.549 181 HA LEU 26 HA LEU 26 -9.722 -7.658 -2.628 182 HB2 LEU 26 HB2 LEU 26 -9.197 -7.147 -0.181 183 HB3 LEU 26 HB1 LEU 26 -7.865 -8.264 -0.343 184 HG LEU 26 HG LEU 26 -6.935 -6.822 -2.123 185 HD11 LEU 26 HD11 LEU 26 -7.815 -4.531 -2.336 186 HD12 LEU 26 HD12 LEU 26 -9.142 -4.947 -1.254 187 HD13 LEU 26 HD13 LEU 26 -9.008 -5.732 -2.828 188 HD21 LEU 26 HD21 LEU 26 -6.143 -5.085 -0.586 189 HD22 LEU 26 HD22 LEU 26 -6.172 -6.677 0.181 190 HD23 LEU 26 HD23 LEU 26 -7.439 -5.502 0.537 191 H SER 27 HN SER 27 -9.303 -10.860 -1.830 192 HA SER 27 HA SER 27 -6.760 -11.421 -2.993 193 HB2 SER 27 HB2 SER 27 -9.081 -13.266 -2.418 194 HB3 SER 27 HB1 SER 27 -7.433 -13.768 -2.793 195 HG SER 27 HG SER 27 -8.287 -12.239 -0.553 196 H GLY 28 HN GLY 28 -6.222 -12.024 -5.010 197 HA2 GLY 28 HA2 GLY 28 -6.968 -13.196 -7.080 198 HA3 GLY 28 HA1 GLY 28 -8.381 -12.146 -7.026 199 H ASP 29 HN ASP 29 -8.273 -10.134 -7.848 200 HA ASP 29 HA ASP 29 -5.647 -9.055 -8.488 201 HB2 ASP 29 HB2 ASP 29 -6.444 -10.097 -10.598 202 HB3 ASP 29 HB1 ASP 29 -7.923 -9.145 -10.496 203 H PHE 30 HN PHE 30 -5.673 -7.449 -7.187 204 HA PHE 30 HA PHE 30 -8.067 -5.726 -7.098 205 HB2 PHE 30 HB2 PHE 30 -7.647 -5.265 -4.798 206 HB3 PHE 30 HB1 PHE 30 -7.544 -7.010 -4.972 207 HD1 PHE 30 HD2 PHE 30 -5.217 -8.056 -5.089 208 HD2 PHE 30 HD1 PHE 30 -5.876 -4.024 -3.911 209 HE1 PHE 30 HE2 PHE 30 -2.990 -7.985 -4.063 210 HE2 PHE 30 HE1 PHE 30 -3.647 -3.952 -2.883 211 HZ PHE 30 HZ PHE 30 -2.202 -5.936 -2.959 212 H LEU 31 HN LEU 31 -4.892 -5.962 -8.171 213 HA LEU 31 HA LEU 31 -3.703 -3.695 -7.230 214 HB2 LEU 31 HB2 LEU 31 -2.857 -5.865 -8.333 215 HB3 LEU 31 HB1 LEU 31 -3.172 -5.023 -9.841 216 HG LEU 31 HG LEU 31 -1.821 -3.254 -9.123 217 HD11 LEU 31 HD11 LEU 31 -0.177 -3.637 -7.234 218 HD12 LEU 31 HD12 LEU 31 -1.054 -5.114 -6.846 219 HD13 LEU 31 HD13 LEU 31 -1.856 -3.550 -6.702 220 HD21 LEU 31 HD21 LEU 31 0.366 -4.392 -9.493 221 HD22 LEU 31 HD22 LEU 31 -0.905 -4.899 -10.607 222 HD23 LEU 31 HD23 LEU 31 -0.457 -5.933 -9.251 223 H ASP 32 HN ASP 32 -6.206 -4.083 -9.482 224 HA ASP 32 HA ASP 32 -5.629 -1.528 -10.817 225 HB2 ASP 32 HB2 ASP 32 -5.868 -3.560 -12.242 226 HB3 ASP 32 HB1 ASP 32 -7.523 -3.729 -11.674 227 H LEU 33 HN LEU 33 -7.433 -2.642 -8.228 228 HA LEU 33 HA LEU 33 -9.842 -1.290 -9.011 229 HB2 LEU 33 HB2 LEU 33 -10.828 -1.919 -6.811 230 HB3 LEU 33 HB1 LEU 33 -10.332 -3.260 -7.801 231 HG LEU 33 HG LEU 33 -8.357 -3.574 -6.314 232 HD11 LEU 33 HD11 LEU 33 -8.120 -1.307 -5.451 233 HD12 LEU 33 HD12 LEU 33 -8.290 -2.479 -4.142 234 HD13 LEU 33 HD13 LEU 33 -9.658 -1.464 -4.604 235 HD21 LEU 33 HD21 LEU 33 -9.626 -4.496 -4.443 236 HD22 LEU 33 HD22 LEU 33 -10.382 -4.859 -5.994 237 HD23 LEU 33 HD23 LEU 33 -11.045 -3.591 -4.964 238 H ARG 34 HN ARG 34 -10.963 0.056 -7.126 239 HA ARG 34 HA ARG 34 -9.124 2.316 -6.903 240 HB2 ARG 34 HB2 ARG 34 -12.147 2.266 -7.011 241 HB3 ARG 34 HB1 ARG 34 -11.147 3.708 -6.909 242 HG2 ARG 34 HG2 ARG 34 -11.217 1.745 -9.190 243 HG3 ARG 34 HG1 ARG 34 -11.917 3.366 -9.174 244 HD2 ARG 34 HD2 ARG 34 -8.991 2.759 -8.797 245 HD3 ARG 34 HD1 ARG 34 -9.717 3.230 -10.344 246 HE ARG 34 HE ARG 34 -10.315 5.114 -8.341 247 HH11 ARG 34 HH11 ARG 34 -7.751 4.048 -10.541 248 HH12 ARG 34 HH12 ARG 34 -6.763 5.418 -10.292 249 HH21 ARG 34 HH21 ARG 34 -8.961 7.072 -8.056 250 HH22 ARG 34 HH22 ARG 34 -7.463 7.140 -8.900 251 H PHE 35 HN PHE 35 -8.899 3.342 -4.938 252 HA PHE 35 HA PHE 35 -9.533 1.816 -2.620 253 HB2 PHE 35 HB2 PHE 35 -8.298 4.556 -2.875 254 HB3 PHE 35 HB1 PHE 35 -8.424 3.643 -1.372 255 HD1 PHE 35 HD2 PHE 35 -7.401 1.245 -1.439 256 HD2 PHE 35 HD1 PHE 35 -6.379 4.367 -4.143 257 HE1 PHE 35 HE2 PHE 35 -5.280 0.117 -1.951 258 HE2 PHE 35 HE1 PHE 35 -4.309 3.254 -4.670 259 HZ PHE 35 HZ PHE 35 -3.719 1.125 -3.562 260 H GLU 36 HN GLU 36 -10.931 4.564 -4.198 261 HA GLU 36 HA GLU 36 -12.518 5.667 -2.172 262 HB2 GLU 36 HB2 GLU 36 -12.138 6.479 -4.557 263 HB3 GLU 36 HB1 GLU 36 -13.310 5.273 -5.056 264 HG2 GLU 36 HG2 GLU 36 -14.477 7.289 -4.938 265 HG3 GLU 36 HG1 GLU 36 -14.931 6.399 -3.485 266 H ASP 37 HN ASP 37 -13.003 3.048 -4.407 267 HA ASP 37 HA ASP 37 -15.717 2.511 -3.809 268 HB2 ASP 37 HB2 ASP 37 -14.745 2.022 -5.974 269 HB3 ASP 37 HB1 ASP 37 -13.651 0.857 -5.241 270 H ILE 38 HN ILE 38 -12.716 1.341 -2.486 271 HA ILE 38 HA ILE 38 -14.211 -0.726 -1.069 272 HB ILE 38 HB ILE 38 -12.039 -1.734 -0.439 273 HG12 ILE 38 HG12 ILE 38 -10.861 0.336 -2.321 274 HG13 ILE 38 HG11 ILE 38 -10.679 0.352 -0.574 275 HG21 ILE 38 HG21 ILE 38 -13.255 -2.527 -2.369 276 HG22 ILE 38 HG22 ILE 38 -11.519 -2.580 -2.710 277 HG23 ILE 38 HG23 ILE 38 -12.519 -1.276 -3.368 278 HD11 ILE 38 HD11 ILE 38 -9.457 -1.761 -0.687 279 HD12 ILE 38 HD12 ILE 38 -8.690 -0.508 -1.666 280 HD13 ILE 38 HD13 ILE 38 -9.648 -1.773 -2.440 281 H GLY 39 HN GLY 39 -13.758 2.252 -0.476 282 HA2 GLY 39 HA2 GLY 39 -14.035 3.471 1.492 283 HA3 GLY 39 HA1 GLY 39 -14.112 1.941 2.352 284 H TYR 40 HN TYR 40 -11.524 3.419 0.430 285 HA TYR 40 HA TYR 40 -9.847 3.439 2.840 286 HB2 TYR 40 HB2 TYR 40 -9.263 2.517 0.075 287 HB3 TYR 40 HB1 TYR 40 -7.985 3.311 0.973 288 HD1 TYR 40 HD2 TYR 40 -10.420 0.488 1.258 289 HD2 TYR 40 HD1 TYR 40 -6.642 2.087 2.330 290 HE1 TYR 40 HE2 TYR 40 -9.808 -1.663 2.289 291 HE2 TYR 40 HE1 TYR 40 -6.006 -0.007 3.355 292 HH TYR 40 HH TYR 40 -6.898 -2.051 4.153 293 H ASP 41 HN ASP 41 -9.509 5.475 3.406 294 HA ASP 41 HA ASP 41 -9.361 7.554 1.385 295 HB2 ASP 41 HB2 ASP 41 -9.016 7.638 4.398 296 HB3 ASP 41 HB1 ASP 41 -8.776 9.037 3.366 297 H SER 42 HN SER 42 -7.409 9.082 1.664 298 HA SER 42 HA SER 42 -5.072 7.726 0.968 299 HB2 SER 42 HB2 SER 42 -4.128 10.080 1.421 300 HB3 SER 42 HB1 SER 42 -5.372 9.920 0.169 301 H LEU 43 HN LEU 43 -6.237 9.178 3.903 302 HA LEU 43 HA LEU 43 -4.048 8.937 5.588 303 HB2 LEU 43 HB2 LEU 43 -6.966 8.639 6.278 304 HB3 LEU 43 HB1 LEU 43 -5.683 8.935 7.430 305 HG LEU 43 HG LEU 43 -6.521 10.827 5.232 306 HD11 LEU 43 HD11 LEU 43 -8.203 10.654 6.974 307 HD12 LEU 43 HD12 LEU 43 -7.380 12.212 7.048 308 HD13 LEU 43 HD13 LEU 43 -6.976 10.946 8.207 309 HD21 LEU 43 HD21 LEU 43 -5.039 12.423 6.343 310 HD22 LEU 43 HD22 LEU 43 -4.145 11.014 5.773 311 HD23 LEU 43 HD23 LEU 43 -4.540 11.174 7.483 312 H ALA 44 HN ALA 44 -6.423 6.508 4.652 313 HA ALA 44 HA ALA 44 -5.576 4.548 6.552 314 HB1 ALA 44 HB1 ALA 44 -7.128 4.198 3.980 315 HB2 ALA 44 HB2 ALA 44 -7.827 4.489 5.574 316 HB3 ALA 44 HB3 ALA 44 -6.957 2.987 5.253 317 H LEU 45 HN LEU 45 -4.881 5.267 3.215 318 HA LEU 45 HA LEU 45 -3.184 3.080 2.659 319 HB2 LEU 45 HB2 LEU 45 -3.226 5.840 1.438 320 HB3 LEU 45 HB1 LEU 45 -2.468 4.423 0.738 321 HG LEU 45 HG LEU 45 -5.423 4.726 1.241 322 HD11 LEU 45 HD11 LEU 45 -3.853 4.904 -1.319 323 HD12 LEU 45 HD12 LEU 45 -4.673 6.235 -0.503 324 HD13 LEU 45 HD13 LEU 45 -5.611 4.905 -1.184 325 HD21 LEU 45 HD21 LEU 45 -5.597 2.700 -0.114 326 HD22 LEU 45 HD22 LEU 45 -4.671 2.426 1.361 327 HD23 LEU 45 HD23 LEU 45 -3.838 2.602 -0.185 328 H MET 46 HN MET 46 -2.700 6.238 4.013 329 HA MET 46 HA MET 46 0.127 6.265 4.111 330 HB2 MET 46 HB2 MET 46 -1.931 7.676 5.818 331 HB3 MET 46 HB1 MET 46 -0.203 7.971 5.939 332 HG2 MET 46 HG2 MET 46 -0.113 8.890 3.745 333 HG3 MET 46 HG1 MET 46 -1.720 8.267 3.388 334 HE1 MET 46 HE1 MET 46 -0.763 9.992 6.792 335 HE2 MET 46 HE2 MET 46 -1.100 11.688 6.438 336 HE3 MET 46 HE3 MET 46 0.245 10.871 5.642 337 H GLU 47 HN GLU 47 -2.329 4.871 6.131 338 HA GLU 47 HA GLU 47 -0.593 4.245 8.304 339 HB2 GLU 47 HB2 GLU 47 -3.120 4.444 8.393 340 HB3 GLU 47 HB1 GLU 47 -3.197 2.885 7.586 341 HG2 GLU 47 HG2 GLU 47 -3.494 2.483 9.904 342 HG3 GLU 47 HG1 GLU 47 -1.877 1.924 9.483 343 H THR 48 HN THR 48 -1.722 2.620 5.369 344 HA THR 48 HA THR 48 -0.705 0.063 5.649 345 HB THR 48 HB THR 48 -0.631 1.762 3.131 346 HG1 THR 48 HG1 THR 48 -2.687 0.368 4.441 347 HG21 THR 48 HG21 THR 48 -1.011 -0.390 1.990 348 HG22 THR 48 HG22 THR 48 -0.987 -1.219 3.546 349 HG23 THR 48 HG23 THR 48 0.473 -0.437 2.941 350 H ALA 49 HN ALA 49 0.762 2.824 4.032 351 HA ALA 49 HA ALA 49 3.290 1.808 3.593 352 HB1 ALA 49 HB1 ALA 49 2.419 3.837 2.539 353 HB2 ALA 49 HB2 ALA 49 3.990 4.119 3.287 354 HB3 ALA 49 HB3 ALA 49 2.519 4.680 4.084 355 H ALA 50 HN ALA 50 2.169 3.832 6.297 356 HA ALA 50 HA ALA 50 4.572 4.083 7.632 357 HB1 ALA 50 HB1 ALA 50 2.581 5.413 8.106 358 HB2 ALA 50 HB2 ALA 50 3.290 4.716 9.565 359 HB3 ALA 50 HB3 ALA 50 1.837 4.005 8.864 360 H ARG 51 HN ARG 51 2.103 1.574 8.087 361 HA ARG 51 HA ARG 51 3.520 0.381 10.248 362 HB2 ARG 51 HB2 ARG 51 1.063 0.114 9.847 363 HB3 ARG 51 HB1 ARG 51 1.448 -0.920 8.478 364 HG2 ARG 51 HG2 ARG 51 2.576 -2.478 9.972 365 HG3 ARG 51 HG1 ARG 51 2.183 -1.443 11.346 366 HD2 ARG 51 HD2 ARG 51 -0.222 -1.737 10.807 367 HD3 ARG 51 HD1 ARG 51 0.291 -2.832 9.510 368 HE ARG 51 HE ARG 51 1.461 -3.752 11.816 369 HH11 ARG 51 HH11 ARG 51 -1.867 -3.339 10.665 370 HH12 ARG 51 HH12 ARG 51 -2.489 -4.652 11.510 371 HH21 ARG 51 HH21 ARG 51 0.618 -5.465 13.086 372 HH22 ARG 51 HH22 ARG 51 -1.005 -5.964 12.914 373 H LEU 52 HN LEU 52 3.203 -0.425 6.802 374 HA LEU 52 HA LEU 52 4.986 -2.544 6.789 375 HB2 LEU 52 HB2 LEU 52 4.354 -0.578 4.616 376 HB3 LEU 52 HB1 LEU 52 5.361 -1.994 4.374 377 HG LEU 52 HG LEU 52 2.470 -2.007 5.215 378 HD11 LEU 52 HD11 LEU 52 3.812 -2.834 2.651 379 HD12 LEU 52 HD12 LEU 52 2.789 -1.417 2.880 380 HD13 LEU 52 HD13 LEU 52 2.103 -3.036 3.036 381 HD21 LEU 52 HD21 LEU 52 3.720 -3.820 6.252 382 HD22 LEU 52 HD22 LEU 52 4.378 -4.282 4.682 383 HD23 LEU 52 HD23 LEU 52 2.649 -4.440 4.996 384 H GLU 53 HN GLU 53 5.744 0.912 6.698 385 HA GLU 53 HA GLU 53 8.432 0.767 6.093 386 HB2 GLU 53 HB2 GLU 53 7.119 2.573 8.136 387 HB3 GLU 53 HB1 GLU 53 8.759 2.768 7.552 388 HG2 GLU 53 HG2 GLU 53 7.887 3.185 5.305 389 HG3 GLU 53 HG1 GLU 53 6.243 3.007 5.929 390 H SER 54 HN SER 54 6.850 0.589 9.258 391 HA SER 54 HA SER 54 9.072 0.168 10.867 392 HB2 SER 54 HB2 SER 54 6.206 -0.704 11.258 393 HB3 SER 54 HB1 SER 54 7.411 -0.486 12.532 394 HG SER 54 HG SER 54 6.002 1.304 12.241 395 H ARG 55 HN ARG 55 7.279 -2.015 8.887 396 HA ARG 55 HA ARG 55 8.271 -4.380 10.210 397 HB2 ARG 55 HB2 ARG 55 6.020 -4.384 9.320 398 HB3 ARG 55 HB1 ARG 55 6.630 -4.058 7.707 399 HG2 ARG 55 HG2 ARG 55 7.705 -6.223 7.634 400 HG3 ARG 55 HG1 ARG 55 7.210 -6.549 9.299 401 HD2 ARG 55 HD2 ARG 55 5.380 -6.101 6.947 402 HD3 ARG 55 HD1 ARG 55 5.715 -7.653 7.728 403 HE ARG 55 HE ARG 55 4.881 -6.123 9.762 404 HH11 ARG 55 HH11 ARG 55 3.411 -6.886 6.605 405 HH12 ARG 55 HH12 ARG 55 1.817 -6.733 7.210 406 HH21 ARG 55 HH21 ARG 55 2.667 -5.860 10.495 407 HH22 ARG 55 HH22 ARG 55 1.399 -6.244 9.415 408 H TYR 56 HN TYR 56 8.670 -2.906 6.981 409 HA TYR 56 HA TYR 56 10.672 -4.905 6.343 410 HB2 TYR 56 HB2 TYR 56 9.394 -2.742 4.689 411 HB3 TYR 56 HB1 TYR 56 10.697 -3.765 4.091 412 HD1 TYR 56 HD1 TYR 56 7.194 -3.768 5.281 413 HD2 TYR 56 HD2 TYR 56 10.277 -5.991 3.383 414 HE1 TYR 56 HE1 TYR 56 5.554 -5.473 4.620 415 HE2 TYR 56 HE2 TYR 56 8.647 -7.704 2.721 416 HH TYR 56 HH TYR 56 6.530 -8.506 3.241 417 H GLY 57 HN GLY 57 10.671 -1.603 7.405 418 HA2 GLY 57 HA2 GLY 57 12.552 -0.439 8.105 419 HA3 GLY 57 HA1 GLY 57 13.571 -1.639 7.310 420 H VAL 58 HN VAL 58 11.020 0.587 6.321 421 HA VAL 58 HA VAL 58 12.802 1.627 4.259 422 HB VAL 58 HB VAL 58 10.884 1.848 2.655 423 HG11 VAL 58 HG11 VAL 58 11.510 -0.967 3.508 424 HG12 VAL 58 HG12 VAL 58 12.463 0.027 2.402 425 HG13 VAL 58 HG13 VAL 58 10.835 -0.488 1.950 426 HG21 VAL 58 HG21 VAL 58 9.446 0.051 4.608 427 HG22 VAL 58 HG22 VAL 58 8.872 0.483 2.999 428 HG23 VAL 58 HG23 VAL 58 9.036 1.726 4.239 429 H SER 59 HN SER 59 11.613 3.690 3.195 430 HA SER 59 HA SER 59 10.453 5.207 5.389 431 HB2 SER 59 HB2 SER 59 12.901 5.691 5.250 432 HB3 SER 59 HB1 SER 59 12.682 6.189 3.575 433 HG SER 59 HG SER 59 11.344 7.341 5.783 434 H ILE 60 HN ILE 60 8.520 5.656 4.669 435 HA ILE 60 HA ILE 60 8.204 6.528 1.881 436 HB ILE 60 HB ILE 60 6.177 4.984 3.538 437 HG12 ILE 60 HG12 ILE 60 7.751 4.064 1.113 438 HG13 ILE 60 HG11 ILE 60 8.109 3.598 2.770 439 HG21 ILE 60 HG21 ILE 60 5.137 6.564 1.989 440 HG22 ILE 60 HG22 ILE 60 4.868 4.905 1.455 441 HG23 ILE 60 HG23 ILE 60 6.084 5.899 0.654 442 HD11 ILE 60 HD11 ILE 60 5.935 2.491 2.919 443 HD12 ILE 60 HD12 ILE 60 6.906 1.849 1.594 444 HD13 ILE 60 HD13 ILE 60 5.582 2.967 1.258 445 HA PRO 61 HA PRO 61 7.016 10.192 4.268 446 HB2 PRO 61 HB2 PRO 61 6.562 11.156 1.490 447 HB3 PRO 61 HB1 PRO 61 7.477 11.912 2.800 448 HG2 PRO 61 HG2 PRO 61 8.739 10.759 0.767 449 HG3 PRO 61 HG1 PRO 61 9.353 10.607 2.425 450 HD2 PRO 61 HD2 PRO 61 7.843 8.624 0.772 451 HD3 PRO 61 HD1 PRO 61 9.207 8.365 1.880 452 H ASP 62 HN ASP 62 5.067 10.857 4.867 453 HA ASP 62 HA ASP 62 2.918 9.199 4.391 454 HB2 ASP 62 HB2 ASP 62 1.608 10.760 5.806 455 HB3 ASP 62 HB1 ASP 62 3.137 10.267 6.509 456 H ASP 63 HN ASP 63 3.506 12.397 2.927 457 HA ASP 63 HA ASP 63 0.894 12.584 1.800 458 HB2 ASP 63 HB2 ASP 63 2.263 14.588 2.038 459 HB3 ASP 63 HB1 ASP 63 3.466 13.933 0.934 460 H VAL 64 HN VAL 64 3.711 10.906 0.856 461 HA VAL 64 HA VAL 64 3.177 10.555 -1.926 462 HB VAL 64 HB VAL 64 4.690 8.823 -0.014 463 HG11 VAL 64 HG11 VAL 64 4.206 7.651 -2.132 464 HG12 VAL 64 HG12 VAL 64 5.927 8.029 -2.062 465 HG13 VAL 64 HG13 VAL 64 4.845 9.013 -3.051 466 HG21 VAL 64 HG21 VAL 64 6.716 10.000 -0.811 467 HG22 VAL 64 HG22 VAL 64 5.559 11.091 -0.037 468 HG23 VAL 64 HG23 VAL 64 5.692 11.047 -1.793 469 H ALA 65 HN ALA 65 2.273 8.847 0.998 470 HA ALA 65 HA ALA 65 1.093 6.628 -0.357 471 HB1 ALA 65 HB1 ALA 65 0.713 7.586 2.473 472 HB2 ALA 65 HB2 ALA 65 1.914 6.408 1.936 473 HB3 ALA 65 HB3 ALA 65 0.191 6.031 1.836 474 H GLY 66 HN GLY 66 0.158 9.811 0.244 475 HA2 GLY 66 HA2 GLY 66 -2.674 9.269 -0.155 476 HA3 GLY 66 HA1 GLY 66 -1.935 10.849 0.103 477 H ARG 67 HN ARG 67 -0.004 9.357 -2.048 478 HA ARG 67 HA ARG 67 -1.362 10.600 -4.332 479 HB2 ARG 67 HB2 ARG 67 1.546 10.025 -3.819 480 HB3 ARG 67 HB1 ARG 67 0.931 10.483 -5.395 481 HG2 ARG 67 HG2 ARG 67 0.167 12.615 -4.459 482 HG3 ARG 67 HG1 ARG 67 0.824 12.140 -2.886 483 HD2 ARG 67 HD2 ARG 67 3.043 12.020 -3.780 484 HD3 ARG 67 HD1 ARG 67 2.443 12.272 -5.414 485 HE ARG 67 HE ARG 67 1.748 14.429 -3.708 486 HH11 ARG 67 HH11 ARG 67 4.555 13.027 -5.373 487 HH12 ARG 67 HH12 ARG 67 5.270 14.516 -5.754 488 HH21 ARG 67 HH21 ARG 67 2.783 16.518 -4.165 489 HH22 ARG 67 HH22 ARG 67 4.254 16.536 -5.037 490 H VAL 68 HN VAL 68 -1.199 7.663 -3.031 491 HA VAL 68 HA VAL 68 -0.527 6.308 -5.486 492 HB VAL 68 HB VAL 68 -1.015 4.167 -4.251 493 HG11 VAL 68 HG11 VAL 68 0.944 4.278 -2.805 494 HG12 VAL 68 HG12 VAL 68 0.933 6.039 -2.937 495 HG13 VAL 68 HG13 VAL 68 1.227 5.043 -4.370 496 HG21 VAL 68 HG21 VAL 68 -1.313 5.984 -1.864 497 HG22 VAL 68 HG22 VAL 68 -1.240 4.224 -1.821 498 HG23 VAL 68 HG23 VAL 68 -2.610 5.033 -2.593 499 H ASP 69 HN ASP 69 -1.849 6.481 -6.981 500 HA ASP 69 HA ASP 69 -4.628 6.953 -6.778 501 HB2 ASP 69 HB2 ASP 69 -3.235 7.610 -8.743 502 HB3 ASP 69 HB1 ASP 69 -3.083 5.912 -9.145 503 H THR 70 HN THR 70 -2.752 4.076 -7.527 504 HA THR 70 HA THR 70 -5.133 2.452 -7.079 505 HB THR 70 HB THR 70 -4.222 0.972 -8.917 506 HG1 THR 70 HG1 THR 70 -2.905 3.090 -10.112 507 HG21 THR 70 HG21 THR 70 -5.000 3.778 -9.687 508 HG22 THR 70 HG22 THR 70 -6.140 2.508 -9.240 509 HG23 THR 70 HG23 THR 70 -5.179 2.358 -10.726 510 HA PRO 71 HA PRO 71 -2.444 -0.063 -4.537 511 HB2 PRO 71 HB2 PRO 71 -3.256 -2.447 -6.135 512 HB3 PRO 71 HB1 PRO 71 -3.354 -2.178 -4.387 513 HG2 PRO 71 HG2 PRO 71 -5.547 -2.088 -5.851 514 HG3 PRO 71 HG1 PRO 71 -5.287 -0.890 -4.566 515 HD2 PRO 71 HD2 PRO 71 -4.916 -0.594 -7.526 516 HD3 PRO 71 HD1 PRO 71 -5.670 0.529 -6.371 517 H ARG 72 HN ARG 72 -2.358 -0.478 -7.992 518 HA ARG 72 HA ARG 72 0.090 -1.822 -8.314 519 HB2 ARG 72 HB2 ARG 72 -1.622 -1.407 -10.075 520 HB3 ARG 72 HB1 ARG 72 -1.147 0.280 -10.094 521 HG2 ARG 72 HG2 ARG 72 1.083 -0.356 -10.863 522 HG3 ARG 72 HG1 ARG 72 0.603 -2.058 -10.839 523 HD2 ARG 72 HD2 ARG 72 -0.589 0.136 -12.532 524 HD3 ARG 72 HD1 ARG 72 0.418 -1.202 -13.091 525 HE ARG 72 HE ARG 72 -1.413 -2.690 -12.309 526 HH11 ARG 72 HH11 ARG 72 -2.104 0.644 -13.306 527 HH12 ARG 72 HH12 ARG 72 -3.747 0.352 -13.628 528 HH21 ARG 72 HH21 ARG 72 -3.693 -3.067 -12.759 529 HH22 ARG 72 HH22 ARG 72 -4.671 -1.788 -13.318 530 H GLU 73 HN GLU 73 -0.743 1.573 -8.102 531 HA GLU 73 HA GLU 73 1.757 2.796 -8.439 532 HB2 GLU 73 HB2 GLU 73 -0.543 3.848 -8.395 533 HB3 GLU 73 HB1 GLU 73 -0.520 3.671 -6.653 534 HG2 GLU 73 HG2 GLU 73 0.014 5.910 -7.164 535 HG3 GLU 73 HG1 GLU 73 1.501 5.131 -6.623 536 H LEU 74 HN LEU 74 0.016 1.692 -5.594 537 HA LEU 74 HA LEU 74 1.834 2.509 -3.589 538 HB2 LEU 74 HB2 LEU 74 -0.694 1.704 -3.576 539 HB3 LEU 74 HB1 LEU 74 0.018 0.139 -3.283 540 HG LEU 74 HG LEU 74 0.262 2.571 -1.504 541 HD11 LEU 74 HD11 LEU 74 -1.957 1.653 -1.486 542 HD12 LEU 74 HD12 LEU 74 -1.146 1.303 0.041 543 HD13 LEU 74 HD13 LEU 74 -1.319 0.040 -1.176 544 HD21 LEU 74 HD21 LEU 74 1.212 -0.255 -1.034 545 HD22 LEU 74 HD22 LEU 74 1.265 1.062 0.138 546 HD23 LEU 74 HD23 LEU 74 2.247 1.143 -1.327 547 H LEU 75 HN LEU 75 1.365 -0.542 -5.322 548 HA LEU 75 HA LEU 75 3.243 -2.147 -4.004 549 HB2 LEU 75 HB2 LEU 75 1.533 -3.027 -5.506 550 HB3 LEU 75 HB1 LEU 75 2.292 -2.231 -6.867 551 HG LEU 75 HG LEU 75 4.283 -3.690 -6.554 552 HD11 LEU 75 HD11 LEU 75 4.022 -4.199 -4.201 553 HD12 LEU 75 HD12 LEU 75 4.082 -5.680 -5.156 554 HD13 LEU 75 HD13 LEU 75 2.538 -5.088 -4.541 555 HD21 LEU 75 HD21 LEU 75 2.573 -4.251 -8.191 556 HD22 LEU 75 HD22 LEU 75 1.660 -5.121 -6.955 557 HD23 LEU 75 HD23 LEU 75 3.244 -5.710 -7.462 558 H ASP 76 HN ASP 76 3.528 -0.239 -6.973 559 HA ASP 76 HA ASP 76 6.221 -0.841 -7.517 560 HB2 ASP 76 HB2 ASP 76 4.710 0.145 -9.199 561 HB3 ASP 76 HB1 ASP 76 4.685 1.651 -8.288 562 H LEU 77 HN LEU 77 4.741 1.768 -5.689 563 HA LEU 77 HA LEU 77 6.970 3.280 -5.060 564 HB2 LEU 77 HB2 LEU 77 4.805 4.087 -4.495 565 HB3 LEU 77 HB1 LEU 77 4.474 2.694 -3.488 566 HG LEU 77 HG LEU 77 6.184 3.481 -1.882 567 HD11 LEU 77 HD11 LEU 77 6.317 5.948 -3.610 568 HD12 LEU 77 HD12 LEU 77 7.602 4.760 -3.367 569 HD13 LEU 77 HD13 LEU 77 7.055 5.745 -2.017 570 HD21 LEU 77 HD21 LEU 77 4.003 5.461 -2.515 571 HD22 LEU 77 HD22 LEU 77 4.867 5.328 -0.982 572 HD23 LEU 77 HD23 LEU 77 3.846 4.002 -1.532 573 H ILE 78 HN ILE 78 5.591 0.608 -3.139 574 HA ILE 78 HA ILE 78 7.740 0.744 -1.294 575 HB ILE 78 HB ILE 78 5.771 -1.539 -1.643 576 HG12 ILE 78 HG12 ILE 78 5.767 0.885 0.164 577 HG13 ILE 78 HG11 ILE 78 4.661 0.566 -1.167 578 HG21 ILE 78 HG21 ILE 78 7.804 -2.204 -0.403 579 HG22 ILE 78 HG22 ILE 78 6.404 -2.133 0.667 580 HG23 ILE 78 HG23 ILE 78 7.591 -0.828 0.680 581 HD11 ILE 78 HD11 ILE 78 3.809 -1.377 0.054 582 HD12 ILE 78 HD12 ILE 78 3.598 0.139 0.941 583 HD13 ILE 78 HD13 ILE 78 4.891 -0.973 1.393 584 H ASN 79 HN ASN 79 7.176 -1.226 -4.136 585 HA ASN 79 HA ASN 79 9.430 -2.895 -3.726 586 HB2 ASN 79 HB2 ASN 79 7.893 -2.196 -6.216 587 HB3 ASN 79 HB1 ASN 79 9.401 -3.089 -6.343 588 HD21 ASN 79 HD21 ASN 79 7.126 -3.510 -3.671 589 HD22 ASN 79 HD22 ASN 79 6.669 -5.122 -4.146 590 H GLY 80 HN GLY 80 9.110 0.241 -5.244 591 HA2 GLY 80 HA2 GLY 80 11.793 0.459 -6.124 592 HA3 GLY 80 HA1 GLY 80 10.697 1.803 -5.822 593 H ALA 81 HN ALA 81 10.175 1.354 -3.130 594 HA ALA 81 HA ALA 81 12.386 2.561 -1.865 595 HB1 ALA 81 HB1 ALA 81 10.006 1.182 -0.610 596 HB2 ALA 81 HB2 ALA 81 10.069 2.871 -1.109 597 HB3 ALA 81 HB3 ALA 81 11.102 2.301 0.203 598 H LEU 82 HN LEU 82 11.184 -0.755 -1.890 599 HA LEU 82 HA LEU 82 13.043 -1.825 -0.057 600 HB2 LEU 82 HB2 LEU 82 11.392 -3.134 -2.206 601 HB3 LEU 82 HB1 LEU 82 12.422 -4.035 -1.116 602 HG LEU 82 HG LEU 82 10.129 -2.289 -0.208 603 HD11 LEU 82 HD11 LEU 82 8.938 -4.385 0.163 604 HD12 LEU 82 HD12 LEU 82 10.277 -5.274 -0.565 605 HD13 LEU 82 HD13 LEU 82 9.324 -4.154 -1.542 606 HD21 LEU 82 HD21 LEU 82 10.417 -3.488 1.902 607 HD22 LEU 82 HD22 LEU 82 11.885 -2.615 1.461 608 HD23 LEU 82 HD23 LEU 82 11.792 -4.360 1.223 609 H ALA 83 HN ALA 83 13.417 -0.882 -3.305 610 HA ALA 83 HA ALA 83 15.649 -2.569 -3.890 611 HB1 ALA 83 HB1 ALA 83 14.817 0.033 -5.188 612 HB2 ALA 83 HB2 ALA 83 14.290 -1.575 -5.684 613 HB3 ALA 83 HB3 ALA 83 15.986 -1.116 -5.835 614 H GLU 84 HN GLU 84 15.201 0.158 -1.928 615 HA GLU 84 HA GLU 84 18.093 0.705 -1.846 616 HB2 GLU 84 HB2 GLU 84 15.754 2.349 -0.895 617 HB3 GLU 84 HB1 GLU 84 17.430 2.734 -0.557 618 HG2 GLU 84 HG2 GLU 84 17.808 2.910 -2.997 619 HG3 GLU 84 HG1 GLU 84 16.071 2.687 -3.229 620 H ALA 85 HN ALA 85 15.934 -1.205 -0.445 621 HA ALA 85 HA ALA 85 16.512 -0.590 2.320 622 HB1 ALA 85 HB1 ALA 85 14.898 -2.843 1.118 623 HB2 ALA 85 HB2 ALA 85 14.253 -1.311 1.707 624 HB3 ALA 85 HB3 ALA 85 15.000 -2.444 2.834 625 H ALA 86 HN ALA 86 18.393 -1.172 3.062 626 HA ALA 86 HA ALA 86 19.503 -3.750 2.227 627 HB1 ALA 86 HB1 ALA 86 21.725 -2.773 2.623 628 HB2 ALA 86 HB2 ALA 86 20.974 -1.226 3.018 629 HB3 ALA 86 HB3 ALA 86 20.843 -1.881 1.384 630 H28 SXV 87 H28A SXV 87 -6.338 13.892 3.194 631 H28A SXV 87 H28B SXV 87 -5.127 12.615 3.267 632 H30 SXV 87 H30C SXV 87 -2.968 15.232 4.218 633 H30A SXV 87 H30A SXV 87 -3.389 13.525 4.348 634 H30B SXV 87 H30B SXV 87 -4.546 14.761 4.848 635 H31 SXV 87 H31C SXV 87 -2.631 13.368 2.239 636 H31A SXV 87 H31A SXV 87 -2.522 15.007 1.655 637 H31B SXV 87 H31B SXV 87 -3.538 13.805 0.820 638 H32 SXV 87 H32A SXV 87 -4.008 16.680 2.304 639 HO33 SXV 87 H33A SXV 87 -6.221 17.142 3.151 640 HN36 SXV 87 H36A SXV 87 -5.011 14.815 0.071 641 H37 SXV 87 H37B SXV 87 -5.844 15.949 -1.906 642 H37A SXV 87 H37A SXV 87 -7.135 16.630 -0.956 643 H38 SXV 87 H38B SXV 87 -6.793 13.649 -1.491 644 H38A SXV 87 H38A SXV 87 -7.743 14.762 -2.500 645 HN41 SXV 87 H41A SXV 87 -8.005 15.696 0.649 646 H42 SXV 87 H42B SXV 87 -10.400 14.122 1.202 647 H42A SXV 87 H42A SXV 87 -10.500 15.879 1.182 648 H43 SXV 87 H43B SXV 87 -8.711 14.247 2.965 649 H43A SXV 87 H43A SXV 87 -8.890 15.999 3.002 650 H1 SXV 87 H1B SXV 87 -9.201 14.080 5.527 651 H1A SXV 87 H1A SXV 87 -9.392 15.839 5.649 652 H2 SXV 87 H2A SXV 87 -10.196 14.733 7.609 653 H2A SXV 87 H2B SXV 87 -11.423 13.883 6.659 654 H4 SXV 87 H4C SXV 87 -11.542 16.420 8.961 655 H4A SXV 87 H4A SXV 87 -12.224 17.734 7.995 656 H4B SXV 87 H4B SXV 87 -10.498 17.360 7.884 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 20.480 -7.872 -4.303 2 H2 MET 1 HT2 MET 1 19.665 -7.543 -5.715 3 H3 MET 1 HT3 MET 1 20.604 -8.960 -5.612 4 HA MET 1 HA MET 1 18.230 -9.380 -5.455 5 HB2 MET 1 HB2 MET 1 18.241 -10.701 -3.384 6 HB3 MET 1 HB1 MET 1 19.757 -10.886 -4.247 7 HG2 MET 1 HG2 MET 1 20.813 -9.312 -2.694 8 HG3 MET 1 HG1 MET 1 19.288 -9.165 -1.824 9 HE1 MET 1 HE1 MET 1 20.461 -9.824 0.454 10 HE2 MET 1 HE2 MET 1 22.004 -9.935 -0.392 11 HE3 MET 1 HE3 MET 1 21.479 -11.250 0.660 12 H ALA 2 HN ALA 2 16.301 -9.250 -3.933 13 HA ALA 2 HA ALA 2 16.255 -6.976 -2.177 14 HB1 ALA 2 HB1 ALA 2 16.087 -5.878 -4.352 15 HB2 ALA 2 HB2 ALA 2 14.589 -5.721 -3.434 16 HB3 ALA 2 HB3 ALA 2 14.696 -6.884 -4.755 17 H THR 3 HN THR 3 14.725 -7.331 -0.638 18 HA THR 3 HA THR 3 12.845 -9.454 -1.004 19 HB THR 3 HB THR 3 13.851 -9.102 1.205 20 HG1 THR 3 HG1 THR 3 12.158 -9.817 1.946 21 HG21 THR 3 HG21 THR 3 12.527 -6.372 1.248 22 HG22 THR 3 HG22 THR 3 14.260 -6.687 1.182 23 HG23 THR 3 HG23 THR 3 13.342 -7.127 2.619 24 H LEU 4 HN LEU 4 11.227 -9.042 -2.364 25 HA LEU 4 HA LEU 4 10.144 -6.318 -2.445 26 HB2 LEU 4 HB2 LEU 4 9.956 -8.520 -4.491 27 HB3 LEU 4 HB1 LEU 4 9.229 -6.936 -4.645 28 HG LEU 4 HG LEU 4 12.190 -7.508 -4.532 29 HD11 LEU 4 HD11 LEU 4 11.154 -8.257 -6.596 30 HD12 LEU 4 HD12 LEU 4 12.159 -6.835 -6.874 31 HD13 LEU 4 HD13 LEU 4 10.405 -6.674 -6.808 32 HD21 LEU 4 HD21 LEU 4 12.448 -5.144 -5.115 33 HD22 LEU 4 HD22 LEU 4 11.636 -5.329 -3.560 34 HD23 LEU 4 HD23 LEU 4 10.703 -4.918 -5.001 35 H LEU 5 HN LEU 5 7.826 -6.240 -3.071 36 HA LEU 5 HA LEU 5 6.271 -7.983 -1.340 37 HB2 LEU 5 HB2 LEU 5 5.522 -5.559 -2.963 38 HB3 LEU 5 HB1 LEU 5 4.437 -6.443 -1.922 39 HG LEU 5 HG LEU 5 6.865 -4.925 -0.987 40 HD11 LEU 5 HD11 LEU 5 5.227 -3.316 -0.141 41 HD12 LEU 5 HD12 LEU 5 3.925 -4.256 -0.869 42 HD13 LEU 5 HD13 LEU 5 5.120 -3.462 -1.896 43 HD21 LEU 5 HD21 LEU 5 4.592 -6.222 0.492 44 HD22 LEU 5 HD22 LEU 5 5.888 -5.266 1.213 45 HD23 LEU 5 HD23 LEU 5 6.254 -6.805 0.431 46 H THR 6 HN THR 6 4.797 -9.418 -2.157 47 HA THR 6 HA THR 6 4.671 -9.696 -5.036 48 HB THR 6 HB THR 6 3.336 -11.764 -4.443 49 HG1 THR 6 HG1 THR 6 4.144 -12.176 -1.992 50 HG21 THR 6 HG21 THR 6 5.733 -11.930 -4.967 51 HG22 THR 6 HG22 THR 6 5.284 -13.086 -3.716 52 HG23 THR 6 HG23 THR 6 6.129 -11.601 -3.281 53 H THR 7 HN THR 7 2.214 -10.492 -5.561 54 HA THR 7 HA THR 7 0.539 -8.261 -5.092 55 HB THR 7 HB THR 7 -0.288 -11.033 -6.008 56 HG1 THR 7 HG1 THR 7 0.664 -8.967 -7.712 57 HG21 THR 7 HG21 THR 7 -1.890 -9.771 -7.388 58 HG22 THR 7 HG22 THR 7 -1.251 -8.259 -6.737 59 HG23 THR 7 HG23 THR 7 -2.089 -9.392 -5.676 60 H ASP 8 HN ASP 8 0.919 -11.498 -3.774 61 HA ASP 8 HA ASP 8 -1.381 -11.435 -2.123 62 HB2 ASP 8 HB2 ASP 8 -0.345 -13.524 -2.936 63 HB3 ASP 8 HB1 ASP 8 1.038 -13.219 -1.886 64 H ASP 9 HN ASP 9 2.091 -10.827 -1.465 65 HA ASP 9 HA ASP 9 1.648 -10.276 1.276 66 HB2 ASP 9 HB2 ASP 9 3.943 -9.809 -0.525 67 HB3 ASP 9 HB1 ASP 9 3.827 -8.700 0.838 68 H LEU 10 HN LEU 10 1.356 -8.277 -1.554 69 HA LEU 10 HA LEU 10 1.018 -5.829 -0.190 70 HB2 LEU 10 HB2 LEU 10 1.437 -6.028 -2.635 71 HB3 LEU 10 HB1 LEU 10 -0.170 -6.698 -2.832 72 HG LEU 10 HG LEU 10 -1.121 -4.554 -2.016 73 HD11 LEU 10 HD11 LEU 10 0.758 -3.783 -0.691 74 HD12 LEU 10 HD12 LEU 10 0.313 -2.583 -1.905 75 HD13 LEU 10 HD13 LEU 10 1.731 -3.601 -2.151 76 HD21 LEU 10 HD21 LEU 10 -0.651 -3.291 -4.054 77 HD22 LEU 10 HD22 LEU 10 -0.920 -5.002 -4.392 78 HD23 LEU 10 HD23 LEU 10 0.720 -4.349 -4.392 79 H ARG 11 HN ARG 11 -1.203 -8.408 -1.137 80 HA ARG 11 HA ARG 11 -3.629 -7.338 -0.305 81 HB2 ARG 11 HB2 ARG 11 -3.678 -9.493 -1.362 82 HB3 ARG 11 HB1 ARG 11 -2.619 -10.192 -0.142 83 HG2 ARG 11 HG2 ARG 11 -4.367 -9.956 1.538 84 HG3 ARG 11 HG1 ARG 11 -5.424 -9.205 0.351 85 HD2 ARG 11 HD2 ARG 11 -6.044 -11.511 0.683 86 HD3 ARG 11 HD1 ARG 11 -5.425 -11.282 -0.943 87 HE ARG 11 HE ARG 11 -3.332 -12.301 -0.104 88 HH11 ARG 11 HH11 ARG 11 -6.310 -12.860 1.739 89 HH12 ARG 11 HH12 ARG 11 -5.929 -14.479 2.120 90 HH21 ARG 11 HH21 ARG 11 -2.820 -14.459 0.400 91 HH22 ARG 11 HH22 ARG 11 -3.832 -15.419 1.398 92 H ARG 12 HN ARG 12 -1.227 -9.078 1.535 93 HA ARG 12 HA ARG 12 -2.450 -9.093 4.051 94 HB2 ARG 12 HB2 ARG 12 0.498 -8.997 3.392 95 HB3 ARG 12 HB1 ARG 12 -0.168 -9.407 4.965 96 HG2 ARG 12 HG2 ARG 12 -1.231 -11.368 4.030 97 HG3 ARG 12 HG1 ARG 12 -0.653 -10.934 2.423 98 HD2 ARG 12 HD2 ARG 12 1.649 -11.199 3.156 99 HD3 ARG 12 HD1 ARG 12 1.105 -11.550 4.796 100 HE ARG 12 HE ARG 12 -0.187 -13.374 3.318 101 HH11 ARG 12 HH11 ARG 12 3.247 -12.465 3.221 102 HH12 ARG 12 HH12 ARG 12 3.832 -14.064 3.200 103 HH21 ARG 12 HH21 ARG 12 0.606 -15.564 3.090 104 HH22 ARG 12 HH22 ARG 12 2.278 -15.888 3.014 105 H ALA 13 HN ALA 13 -0.322 -6.741 2.539 106 HA ALA 13 HA ALA 13 0.075 -4.992 4.685 107 HB1 ALA 13 HB1 ALA 13 -0.066 -4.361 1.741 108 HB2 ALA 13 HB2 ALA 13 1.362 -4.913 2.619 109 HB3 ALA 13 HB3 ALA 13 0.646 -3.342 2.992 110 H LEU 14 HN LEU 14 -2.436 -5.009 2.190 111 HA LEU 14 HA LEU 14 -3.685 -2.695 3.263 112 HB2 LEU 14 HB2 LEU 14 -4.477 -4.587 1.087 113 HB3 LEU 14 HB1 LEU 14 -5.645 -3.454 1.719 114 HG LEU 14 HG LEU 14 -4.727 -2.567 -0.294 115 HD11 LEU 14 HD11 LEU 14 -3.607 -1.096 2.064 116 HD12 LEU 14 HD12 LEU 14 -5.230 -0.947 1.392 117 HD13 LEU 14 HD13 LEU 14 -3.834 -0.426 0.449 118 HD21 LEU 14 HD21 LEU 14 -2.348 -2.035 -0.579 119 HD22 LEU 14 HD22 LEU 14 -2.607 -3.771 -0.392 120 HD23 LEU 14 HD23 LEU 14 -1.994 -2.820 0.961 121 H VAL 15 HN VAL 15 -3.850 -5.963 4.161 122 HA VAL 15 HA VAL 15 -6.472 -5.703 5.347 123 HB VAL 15 HB VAL 15 -4.364 -7.831 5.923 124 HG11 VAL 15 HG11 VAL 15 -7.330 -7.839 6.481 125 HG12 VAL 15 HG12 VAL 15 -6.044 -7.689 7.680 126 HG13 VAL 15 HG13 VAL 15 -6.224 -9.184 6.761 127 HG21 VAL 15 HG21 VAL 15 -4.988 -7.872 3.573 128 HG22 VAL 15 HG22 VAL 15 -6.696 -7.936 4.010 129 HG23 VAL 15 HG23 VAL 15 -5.631 -9.284 4.410 130 H GLU 16 HN GLU 16 -3.209 -5.032 6.202 131 HA GLU 16 HA GLU 16 -3.441 -5.197 8.990 132 HB2 GLU 16 HB2 GLU 16 -1.451 -3.583 7.399 133 HB3 GLU 16 HB1 GLU 16 -1.337 -3.991 9.106 134 HG2 GLU 16 HG2 GLU 16 -1.382 -6.391 8.458 135 HG3 GLU 16 HG1 GLU 16 -1.273 -5.875 6.779 136 H SER 17 HN SER 17 -3.913 -2.421 6.834 137 HA SER 17 HA SER 17 -4.476 -0.809 9.185 138 HB2 SER 17 HB2 SER 17 -4.489 0.018 6.275 139 HB3 SER 17 HB1 SER 17 -4.504 1.079 7.682 140 HG SER 17 HG SER 17 -2.484 -0.064 8.252 141 H ALA 18 HN ALA 18 -6.199 -2.842 7.215 142 HA ALA 18 HA ALA 18 -8.619 -1.224 7.218 143 HB1 ALA 18 HB1 ALA 18 -9.607 -2.965 5.854 144 HB2 ALA 18 HB2 ALA 18 -8.174 -3.974 6.074 145 HB3 ALA 18 HB3 ALA 18 -8.056 -2.457 5.185 146 H GLY 19 HN GLY 19 -7.480 -4.338 8.446 147 HA2 GLY 19 HA2 GLY 19 -8.163 -5.460 10.339 148 HA3 GLY 19 HA1 GLY 19 -9.326 -4.168 10.661 149 H GLU 20 HN GLU 20 -11.380 -4.417 10.076 150 HA GLU 20 HA GLU 20 -12.040 -6.230 7.946 151 HB2 GLU 20 HB2 GLU 20 -11.959 -7.626 10.076 152 HB3 GLU 20 HB1 GLU 20 -13.337 -6.680 10.632 153 HG2 GLU 20 HG2 GLU 20 -14.101 -8.764 9.713 154 HG3 GLU 20 HG1 GLU 20 -14.612 -7.436 8.672 155 H THR 21 HN THR 21 -12.578 -4.167 7.088 156 HA THR 21 HA THR 21 -14.748 -2.645 8.200 157 HB THR 21 HB THR 21 -14.377 -1.415 5.993 158 HG1 THR 21 HG1 THR 21 -12.188 -2.008 5.124 159 HG21 THR 21 HG21 THR 21 -12.006 -1.735 7.857 160 HG22 THR 21 HG22 THR 21 -13.371 -0.646 8.114 161 HG23 THR 21 HG23 THR 21 -12.272 -0.376 6.762 162 H ASP 22 HN ASP 22 -14.568 -3.170 4.985 163 HA ASP 22 HA ASP 22 -17.232 -4.424 4.864 164 HB2 ASP 22 HB2 ASP 22 -16.841 -2.469 3.411 165 HB3 ASP 22 HB1 ASP 22 -15.517 -3.314 2.624 166 H GLY 23 HN GLY 23 -13.914 -4.928 3.955 167 HA2 GLY 23 HA2 GLY 23 -13.498 -7.475 4.473 168 HA3 GLY 23 HA1 GLY 23 -14.478 -7.631 3.019 169 H THR 24 HN THR 24 -11.687 -5.732 4.173 170 HA THR 24 HA THR 24 -10.767 -5.654 1.464 171 HB THR 24 HB THR 24 -9.450 -4.349 3.863 172 HG1 THR 24 HG1 THR 24 -11.476 -3.510 2.054 173 HG21 THR 24 HG21 THR 24 -9.385 -3.823 0.883 174 HG22 THR 24 HG22 THR 24 -8.049 -4.459 1.843 175 HG23 THR 24 HG23 THR 24 -8.612 -2.803 2.084 176 H ASP 25 HN ASP 25 -10.595 -8.037 1.722 177 HA ASP 25 HA ASP 25 -7.756 -8.592 2.132 178 HB2 ASP 25 HB2 ASP 25 -9.002 -10.051 3.660 179 HB3 ASP 25 HB1 ASP 25 -10.075 -10.547 2.354 180 H LEU 26 HN LEU 26 -6.925 -8.388 0.300 181 HA LEU 26 HA LEU 26 -8.524 -8.452 -2.073 182 HB2 LEU 26 HB2 LEU 26 -5.630 -7.730 -1.712 183 HB3 LEU 26 HB1 LEU 26 -6.551 -7.521 -3.176 184 HG LEU 26 HG LEU 26 -6.360 -5.405 -2.251 185 HD11 LEU 26 HD11 LEU 26 -8.543 -5.770 -3.070 186 HD12 LEU 26 HD12 LEU 26 -8.614 -4.720 -1.648 187 HD13 LEU 26 HD13 LEU 26 -9.067 -6.416 -1.514 188 HD21 LEU 26 HD21 LEU 26 -7.248 -6.485 0.420 189 HD22 LEU 26 HD22 LEU 26 -6.913 -4.793 0.060 190 HD23 LEU 26 HD23 LEU 26 -5.613 -5.985 -0.009 191 H SER 27 HN SER 27 -8.657 -10.858 -1.591 192 HA SER 27 HA SER 27 -6.490 -12.456 -2.536 193 HB2 SER 27 HB2 SER 27 -9.407 -13.100 -2.081 194 HB3 SER 27 HB1 SER 27 -8.222 -14.296 -2.611 195 HG SER 27 HG SER 27 -8.334 -12.925 -0.097 196 H GLY 28 HN GLY 28 -5.809 -12.483 -4.519 197 HA2 GLY 28 HA2 GLY 28 -6.209 -13.208 -6.786 198 HA3 GLY 28 HA1 GLY 28 -7.779 -12.415 -6.703 199 H ASP 29 HN ASP 29 -7.480 -11.097 -8.429 200 HA ASP 29 HA ASP 29 -5.150 -9.377 -8.668 201 HB2 ASP 29 HB2 ASP 29 -6.060 -10.316 -10.711 202 HB3 ASP 29 HB1 ASP 29 -7.660 -9.691 -10.341 203 H PHE 30 HN PHE 30 -5.091 -7.268 -8.159 204 HA PHE 30 HA PHE 30 -7.513 -5.766 -7.681 205 HB2 PHE 30 HB2 PHE 30 -7.132 -5.229 -5.345 206 HB3 PHE 30 HB1 PHE 30 -7.301 -6.963 -5.559 207 HD1 PHE 30 HD2 PHE 30 -5.240 -8.397 -5.471 208 HD2 PHE 30 HD1 PHE 30 -5.227 -4.285 -4.392 209 HE1 PHE 30 HE2 PHE 30 -3.150 -8.728 -4.226 210 HE2 PHE 30 HE1 PHE 30 -3.142 -4.614 -3.147 211 HZ PHE 30 HZ PHE 30 -2.105 -6.838 -3.060 212 H LEU 31 HN LEU 31 -4.305 -5.809 -8.629 213 HA LEU 31 HA LEU 31 -3.317 -3.373 -7.701 214 HB2 LEU 31 HB2 LEU 31 -2.654 -5.209 -9.906 215 HB3 LEU 31 HB1 LEU 31 -2.069 -3.566 -10.057 216 HG LEU 31 HG LEU 31 -0.864 -3.781 -7.962 217 HD11 LEU 31 HD11 LEU 31 -2.285 -5.330 -6.785 218 HD12 LEU 31 HD12 LEU 31 -0.615 -5.893 -6.832 219 HD13 LEU 31 HD13 LEU 31 -1.825 -6.628 -7.894 220 HD21 LEU 31 HD21 LEU 31 0.830 -5.376 -8.708 221 HD22 LEU 31 HD22 LEU 31 0.262 -4.345 -10.023 222 HD23 LEU 31 HD23 LEU 31 -0.303 -6.012 -9.902 223 H ASP 32 HN ASP 32 -5.740 -3.917 -10.058 224 HA ASP 32 HA ASP 32 -5.305 -1.264 -11.199 225 HB2 ASP 32 HB2 ASP 32 -6.837 -3.646 -12.206 226 HB3 ASP 32 HB1 ASP 32 -6.954 -2.053 -12.948 227 H LEU 33 HN LEU 33 -6.689 -2.161 -8.643 228 HA LEU 33 HA LEU 33 -9.319 -0.962 -9.009 229 HB2 LEU 33 HB2 LEU 33 -7.890 -2.219 -6.692 230 HB3 LEU 33 HB1 LEU 33 -9.337 -1.271 -6.450 231 HG LEU 33 HG LEU 33 -9.236 -3.731 -8.198 232 HD11 LEU 33 HD11 LEU 33 -8.704 -4.258 -5.850 233 HD12 LEU 33 HD12 LEU 33 -10.301 -4.854 -6.299 234 HD13 LEU 33 HD13 LEU 33 -10.145 -3.386 -5.333 235 HD21 LEU 33 HD21 LEU 33 -11.665 -3.601 -7.953 236 HD22 LEU 33 HD22 LEU 33 -11.027 -2.110 -8.670 237 HD23 LEU 33 HD23 LEU 33 -11.470 -2.155 -6.959 238 H ARG 34 HN ARG 34 -9.915 0.649 -7.319 239 HA ARG 34 HA ARG 34 -7.750 2.533 -6.749 240 HB2 ARG 34 HB2 ARG 34 -10.759 2.841 -6.717 241 HB3 ARG 34 HB1 ARG 34 -9.635 4.062 -6.160 242 HG2 ARG 34 HG2 ARG 34 -9.810 3.013 -8.959 243 HG3 ARG 34 HG1 ARG 34 -10.557 4.501 -8.378 244 HD2 ARG 34 HD2 ARG 34 -8.272 5.255 -7.713 245 HD3 ARG 34 HD1 ARG 34 -7.612 3.871 -8.583 246 HE ARG 34 HE ARG 34 -9.445 5.671 -9.956 247 HH11 ARG 34 HH11 ARG 34 -6.223 4.310 -9.735 248 HH12 ARG 34 HH12 ARG 34 -5.593 5.173 -11.074 249 HH21 ARG 34 HH21 ARG 34 -8.582 6.903 -11.759 250 HH22 ARG 34 HH22 ARG 34 -6.947 6.735 -12.205 251 H PHE 35 HN PHE 35 -7.859 3.369 -4.547 252 HA PHE 35 HA PHE 35 -8.357 1.247 -2.709 253 HB2 PHE 35 HB2 PHE 35 -7.475 4.096 -2.291 254 HB3 PHE 35 HB1 PHE 35 -7.615 2.909 -0.993 255 HD1 PHE 35 HD2 PHE 35 -6.230 0.845 -1.098 256 HD2 PHE 35 HD1 PHE 35 -5.595 4.162 -3.668 257 HE1 PHE 35 HE2 PHE 35 -3.991 0.029 -1.576 258 HE2 PHE 35 HE1 PHE 35 -3.332 3.348 -4.171 259 HZ PHE 35 HZ PHE 35 -2.514 1.284 -3.114 260 H GLU 36 HN GLU 36 -9.918 4.061 -3.760 261 HA GLU 36 HA GLU 36 -12.001 4.580 -2.067 262 HB2 GLU 36 HB2 GLU 36 -11.544 5.728 -4.132 263 HB3 GLU 36 HB1 GLU 36 -11.944 4.294 -5.051 264 HG2 GLU 36 HG2 GLU 36 -14.268 4.503 -4.155 265 HG3 GLU 36 HG1 GLU 36 -13.785 6.081 -3.509 266 H ASP 37 HN ASP 37 -11.823 2.063 -4.566 267 HA ASP 37 HA ASP 37 -14.431 1.019 -4.194 268 HB2 ASP 37 HB2 ASP 37 -12.018 -0.190 -5.550 269 HB3 ASP 37 HB1 ASP 37 -13.631 -0.886 -5.593 270 H ILE 38 HN ILE 38 -11.481 0.504 -2.556 271 HA ILE 38 HA ILE 38 -12.663 -1.824 -1.267 272 HB ILE 38 HB ILE 38 -10.311 -2.438 -0.545 273 HG12 ILE 38 HG12 ILE 38 -9.534 -0.550 -2.771 274 HG13 ILE 38 HG11 ILE 38 -9.324 -0.160 -1.078 275 HG21 ILE 38 HG21 ILE 38 -11.496 -3.615 -2.265 276 HG22 ILE 38 HG22 ILE 38 -9.794 -3.453 -2.737 277 HG23 ILE 38 HG23 ILE 38 -11.027 -2.402 -3.454 278 HD11 ILE 38 HD11 ILE 38 -7.784 -2.087 -0.876 279 HD12 ILE 38 HD12 ILE 38 -7.241 -0.901 -2.062 280 HD13 ILE 38 HD13 ILE 38 -7.995 -2.400 -2.600 281 H GLY 39 HN GLY 39 -12.981 0.994 -0.731 282 HA2 GLY 39 HA2 GLY 39 -13.458 2.291 1.122 283 HA3 GLY 39 HA1 GLY 39 -13.354 0.805 2.051 284 H TYR 40 HN TYR 40 -10.940 2.670 0.264 285 HA TYR 40 HA TYR 40 -9.502 3.063 2.776 286 HB2 TYR 40 HB2 TYR 40 -8.620 1.755 0.327 287 HB3 TYR 40 HB1 TYR 40 -7.554 3.053 0.841 288 HD1 TYR 40 HD2 TYR 40 -9.043 -0.150 1.757 289 HD2 TYR 40 HD1 TYR 40 -6.170 2.796 2.788 290 HE1 TYR 40 HE2 TYR 40 -8.067 -1.696 3.371 291 HE2 TYR 40 HE1 TYR 40 -5.178 1.246 4.424 292 HH TYR 40 HH TYR 40 -5.725 -0.677 5.656 293 H ASP 41 HN ASP 41 -9.424 5.102 3.195 294 HA ASP 41 HA ASP 41 -9.329 7.075 1.032 295 HB2 ASP 41 HB2 ASP 41 -9.606 7.447 4.041 296 HB3 ASP 41 HB1 ASP 41 -9.579 8.753 2.866 297 H SER 42 HN SER 42 -7.685 8.846 1.365 298 HA SER 42 HA SER 42 -5.112 7.805 1.474 299 HB2 SER 42 HB2 SER 42 -4.860 10.548 1.915 300 HB3 SER 42 HB1 SER 42 -4.893 9.737 0.345 301 H LEU 43 HN LEU 43 -7.113 9.233 3.895 302 HA LEU 43 HA LEU 43 -5.541 9.655 6.089 303 HB2 LEU 43 HB2 LEU 43 -8.146 8.152 5.930 304 HB3 LEU 43 HB1 LEU 43 -7.444 8.746 7.412 305 HG LEU 43 HG LEU 43 -8.344 10.491 5.120 306 HD11 LEU 43 HD11 LEU 43 -10.225 11.050 6.579 307 HD12 LEU 43 HD12 LEU 43 -9.656 9.870 7.765 308 HD13 LEU 43 HD13 LEU 43 -10.216 9.331 6.186 309 HD21 LEU 43 HD21 LEU 43 -6.571 11.467 6.477 310 HD22 LEU 43 HD22 LEU 43 -7.500 11.135 7.939 311 HD23 LEU 43 HD23 LEU 43 -8.107 12.288 6.751 312 H ALA 44 HN ALA 44 -6.841 6.545 4.999 313 HA ALA 44 HA ALA 44 -5.428 5.069 7.026 314 HB1 ALA 44 HB1 ALA 44 -6.512 3.107 6.066 315 HB2 ALA 44 HB2 ALA 44 -7.095 4.077 4.713 316 HB3 ALA 44 HB3 ALA 44 -7.685 4.395 6.345 317 H LEU 45 HN LEU 45 -5.112 5.778 3.632 318 HA LEU 45 HA LEU 45 -3.267 3.818 2.899 319 HB2 LEU 45 HB2 LEU 45 -3.630 6.604 1.838 320 HB3 LEU 45 HB1 LEU 45 -2.569 5.418 1.106 321 HG LEU 45 HG LEU 45 -5.554 5.151 1.416 322 HD11 LEU 45 HD11 LEU 45 -5.579 5.336 -1.016 323 HD12 LEU 45 HD12 LEU 45 -3.835 5.607 -1.011 324 HD13 LEU 45 HD13 LEU 45 -4.913 6.795 -0.274 325 HD21 LEU 45 HD21 LEU 45 -4.414 3.020 1.591 326 HD22 LEU 45 HD22 LEU 45 -3.522 3.363 0.107 327 HD23 LEU 45 HD23 LEU 45 -5.271 3.146 0.056 328 H MET 46 HN MET 46 -2.725 6.949 4.378 329 HA MET 46 HA MET 46 0.105 6.812 4.204 330 HB2 MET 46 HB2 MET 46 -1.626 8.390 6.109 331 HB3 MET 46 HB1 MET 46 0.111 8.587 5.937 332 HG2 MET 46 HG2 MET 46 -0.200 9.242 3.598 333 HG3 MET 46 HG1 MET 46 -1.945 9.022 3.823 334 HE1 MET 46 HE1 MET 46 -0.556 11.703 2.722 335 HE2 MET 46 HE2 MET 46 -1.503 12.929 3.568 336 HE3 MET 46 HE3 MET 46 -2.302 11.510 2.887 337 H GLU 47 HN GLU 47 -2.222 5.549 6.422 338 HA GLU 47 HA GLU 47 -0.380 4.955 8.513 339 HB2 GLU 47 HB2 GLU 47 -2.825 5.196 8.836 340 HB3 GLU 47 HB1 GLU 47 -3.060 3.722 7.916 341 HG2 GLU 47 HG2 GLU 47 -1.710 2.475 9.547 342 HG3 GLU 47 HG1 GLU 47 -1.557 3.936 10.512 343 H THR 48 HN THR 48 -1.892 3.145 5.861 344 HA THR 48 HA THR 48 -0.792 0.653 6.223 345 HB THR 48 HB THR 48 -1.170 2.102 3.580 346 HG1 THR 48 HG1 THR 48 -2.897 0.997 5.471 347 HG21 THR 48 HG21 THR 48 -1.653 -0.153 2.710 348 HG22 THR 48 HG22 THR 48 -1.353 -0.839 4.306 349 HG23 THR 48 HG23 THR 48 -0.034 -0.088 3.406 350 H ALA 49 HN ALA 49 0.486 3.362 4.304 351 HA ALA 49 HA ALA 49 2.946 2.286 3.611 352 HB1 ALA 49 HB1 ALA 49 2.026 4.339 2.646 353 HB2 ALA 49 HB2 ALA 49 3.667 4.583 3.244 354 HB3 ALA 49 HB3 ALA 49 2.291 5.174 4.177 355 H ALA 50 HN ALA 50 2.084 4.239 6.461 356 HA ALA 50 HA ALA 50 4.626 4.429 7.601 357 HB1 ALA 50 HB1 ALA 50 2.713 5.795 8.294 358 HB2 ALA 50 HB2 ALA 50 3.495 5.011 9.670 359 HB3 ALA 50 HB3 ALA 50 1.975 4.376 9.038 360 H ARG 51 HN ARG 51 2.136 1.968 8.042 361 HA ARG 51 HA ARG 51 3.549 0.559 10.062 362 HB2 ARG 51 HB2 ARG 51 1.100 0.380 9.700 363 HB3 ARG 51 HB1 ARG 51 1.410 -0.468 8.192 364 HG2 ARG 51 HG2 ARG 51 2.453 -2.284 9.387 365 HG3 ARG 51 HG1 ARG 51 2.254 -1.422 10.916 366 HD2 ARG 51 HD2 ARG 51 -0.191 -1.449 10.553 367 HD3 ARG 51 HD1 ARG 51 0.086 -2.411 9.098 368 HE ARG 51 HE ARG 51 1.309 -3.910 10.814 369 HH11 ARG 51 HH11 ARG 51 -1.842 -2.310 11.139 370 HH12 ARG 51 HH12 ARG 51 -2.485 -3.421 12.258 371 HH21 ARG 51 HH21 ARG 51 0.434 -5.463 12.402 372 HH22 ARG 51 HH22 ARG 51 -1.138 -5.239 13.012 373 H LEU 52 HN LEU 52 3.290 0.245 6.576 374 HA LEU 52 HA LEU 52 4.880 -2.061 6.340 375 HB2 LEU 52 HB2 LEU 52 4.304 0.121 4.354 376 HB3 LEU 52 HB1 LEU 52 5.088 -1.399 3.957 377 HG LEU 52 HG LEU 52 2.299 -1.149 5.081 378 HD11 LEU 52 HD11 LEU 52 1.531 -1.762 2.866 379 HD12 LEU 52 HD12 LEU 52 3.189 -1.775 2.279 380 HD13 LEU 52 HD13 LEU 52 2.454 -0.263 2.814 381 HD21 LEU 52 HD21 LEU 52 3.397 -3.221 5.699 382 HD22 LEU 52 HD22 LEU 52 3.820 -3.516 4.011 383 HD23 LEU 52 HD23 LEU 52 2.127 -3.522 4.511 384 H GLU 53 HN GLU 53 5.702 1.336 6.560 385 HA GLU 53 HA GLU 53 8.390 1.226 5.872 386 HB2 GLU 53 HB2 GLU 53 7.114 2.856 8.066 387 HB3 GLU 53 HB1 GLU 53 8.740 3.100 7.460 388 HG2 GLU 53 HG2 GLU 53 7.786 3.618 5.251 389 HG3 GLU 53 HG1 GLU 53 6.172 3.471 5.961 390 H SER 54 HN SER 54 6.812 0.598 8.947 391 HA SER 54 HA SER 54 9.160 -0.079 10.376 392 HB2 SER 54 HB2 SER 54 7.060 0.617 11.497 393 HB3 SER 54 HB1 SER 54 6.255 -0.819 10.881 394 HG SER 54 HG SER 54 8.571 -0.946 12.493 395 H ARG 55 HN ARG 55 6.578 -1.975 8.893 396 HA ARG 55 HA ARG 55 7.414 -4.517 9.536 397 HB2 ARG 55 HB2 ARG 55 5.179 -4.062 8.808 398 HB3 ARG 55 HB1 ARG 55 5.743 -3.515 7.243 399 HG2 ARG 55 HG2 ARG 55 6.431 -5.789 6.687 400 HG3 ARG 55 HG1 ARG 55 5.897 -6.339 8.277 401 HD2 ARG 55 HD2 ARG 55 3.632 -5.911 7.781 402 HD3 ARG 55 HD1 ARG 55 4.046 -4.930 6.374 403 HE ARG 55 HE ARG 55 5.010 -7.568 6.099 404 HH11 ARG 55 HH11 ARG 55 1.911 -5.826 6.025 405 HH12 ARG 55 HH12 ARG 55 1.243 -6.738 4.776 406 HH21 ARG 55 HH21 ARG 55 4.083 -8.858 4.353 407 HH22 ARG 55 HH22 ARG 55 2.532 -8.523 3.765 408 H TYR 56 HN TYR 56 8.419 -2.599 6.704 409 HA TYR 56 HA TYR 56 10.177 -4.859 6.029 410 HB2 TYR 56 HB2 TYR 56 8.913 -2.839 4.204 411 HB3 TYR 56 HB1 TYR 56 10.276 -3.831 3.704 412 HD1 TYR 56 HD1 TYR 56 6.728 -3.833 4.590 413 HD2 TYR 56 HD2 TYR 56 10.030 -6.205 3.354 414 HE1 TYR 56 HE1 TYR 56 5.199 -5.665 4.038 415 HE2 TYR 56 HE2 TYR 56 8.506 -8.052 2.799 416 HH TYR 56 HH TYR 56 6.372 -8.835 3.146 417 H GLY 57 HN GLY 57 10.377 -1.853 7.383 418 HA2 GLY 57 HA2 GLY 57 12.251 -0.620 7.932 419 HA3 GLY 57 HA1 GLY 57 13.229 -1.838 7.121 420 H VAL 58 HN VAL 58 10.799 0.552 6.215 421 HA VAL 58 HA VAL 58 12.623 1.553 4.173 422 HB VAL 58 HB VAL 58 10.769 1.870 2.523 423 HG11 VAL 58 HG11 VAL 58 11.289 -0.975 3.323 424 HG12 VAL 58 HG12 VAL 58 12.296 0.022 2.264 425 HG13 VAL 58 HG13 VAL 58 10.667 -0.440 1.759 426 HG21 VAL 58 HG21 VAL 58 8.866 1.765 4.033 427 HG22 VAL 58 HG22 VAL 58 9.219 0.070 4.383 428 HG23 VAL 58 HG23 VAL 58 8.709 0.548 2.764 429 H SER 59 HN SER 59 11.533 3.619 3.091 430 HA SER 59 HA SER 59 10.496 5.257 5.277 431 HB2 SER 59 HB2 SER 59 12.576 6.078 3.236 432 HB3 SER 59 HB1 SER 59 11.975 7.047 4.582 433 HG SER 59 HG SER 59 14.062 5.694 4.677 434 H ILE 60 HN ILE 60 8.519 5.752 4.619 435 HA ILE 60 HA ILE 60 8.141 6.487 1.800 436 HB ILE 60 HB ILE 60 6.131 5.080 3.593 437 HG12 ILE 60 HG12 ILE 60 7.576 4.066 1.130 438 HG13 ILE 60 HG11 ILE 60 7.989 3.630 2.783 439 HG21 ILE 60 HG21 ILE 60 5.933 5.921 0.693 440 HG22 ILE 60 HG22 ILE 60 5.066 6.649 2.043 441 HG23 ILE 60 HG23 ILE 60 4.723 4.983 1.573 442 HD11 ILE 60 HD11 ILE 60 5.800 2.576 3.037 443 HD12 ILE 60 HD12 ILE 60 6.714 1.891 1.688 444 HD13 ILE 60 HD13 ILE 60 5.401 3.027 1.378 445 HA PRO 61 HA PRO 61 7.114 10.325 3.917 446 HB2 PRO 61 HB2 PRO 61 6.501 11.119 1.129 447 HB3 PRO 61 HB1 PRO 61 7.559 11.899 2.306 448 HG2 PRO 61 HG2 PRO 61 8.569 10.552 0.230 449 HG3 PRO 61 HG1 PRO 61 9.347 10.521 1.823 450 HD2 PRO 61 HD2 PRO 61 7.637 8.456 0.505 451 HD3 PRO 61 HD1 PRO 61 9.091 8.249 1.505 452 H ASP 62 HN ASP 62 5.247 10.769 4.734 453 HA ASP 62 HA ASP 62 2.964 9.259 4.257 454 HB2 ASP 62 HB2 ASP 62 1.828 10.628 5.878 455 HB3 ASP 62 HB1 ASP 62 3.486 10.408 6.408 456 H ASP 63 HN ASP 63 3.785 12.438 3.059 457 HA ASP 63 HA ASP 63 1.253 13.112 2.023 458 HB2 ASP 63 HB2 ASP 63 2.357 14.879 0.787 459 HB3 ASP 63 HB1 ASP 63 3.069 14.766 2.386 460 H VAL 64 HN VAL 64 3.785 11.152 0.773 461 HA VAL 64 HA VAL 64 2.976 11.050 -1.968 462 HB VAL 64 HB VAL 64 4.518 9.116 -0.270 463 HG11 VAL 64 HG11 VAL 64 3.685 8.017 -2.318 464 HG12 VAL 64 HG12 VAL 64 5.431 8.243 -2.437 465 HG13 VAL 64 HG13 VAL 64 4.342 9.322 -3.306 466 HG21 VAL 64 HG21 VAL 64 5.544 11.313 -0.399 467 HG22 VAL 64 HG22 VAL 64 5.497 11.252 -2.163 468 HG23 VAL 64 HG23 VAL 64 6.521 10.127 -1.268 469 H ALA 65 HN ALA 65 2.374 9.062 0.869 470 HA ALA 65 HA ALA 65 0.943 6.996 -0.409 471 HB1 ALA 65 HB1 ALA 65 0.238 6.337 1.824 472 HB2 ALA 65 HB2 ALA 65 0.779 7.889 2.465 473 HB3 ALA 65 HB3 ALA 65 1.953 6.749 1.807 474 H GLY 66 HN GLY 66 0.016 10.144 0.607 475 HA2 GLY 66 HA2 GLY 66 -2.823 9.593 0.559 476 HA3 GLY 66 HA1 GLY 66 -2.073 11.175 0.720 477 H ARG 67 HN ARG 67 -0.660 9.671 -1.874 478 HA ARG 67 HA ARG 67 -2.550 10.914 -3.755 479 HB2 ARG 67 HB2 ARG 67 -0.361 12.088 -3.505 480 HB3 ARG 67 HB1 ARG 67 0.444 10.616 -4.025 481 HG2 ARG 67 HG2 ARG 67 -0.772 10.781 -6.180 482 HG3 ARG 67 HG1 ARG 67 -1.412 12.336 -5.648 483 HD2 ARG 67 HD2 ARG 67 0.809 13.240 -5.503 484 HD3 ARG 67 HD1 ARG 67 1.511 11.666 -5.890 485 HE ARG 67 HE ARG 67 -0.306 12.957 -7.775 486 HH11 ARG 67 HH11 ARG 67 2.963 11.729 -7.036 487 HH12 ARG 67 HH12 ARG 67 3.538 11.889 -8.618 488 HH21 ARG 67 HH21 ARG 67 0.470 13.167 -9.947 489 HH22 ARG 67 HH22 ARG 67 2.086 12.761 -10.336 490 H VAL 68 HN VAL 68 -1.487 7.922 -2.727 491 HA VAL 68 HA VAL 68 -0.990 6.775 -5.312 492 HB VAL 68 HB VAL 68 -0.953 4.546 -4.180 493 HG11 VAL 68 HG11 VAL 68 1.071 4.944 -2.847 494 HG12 VAL 68 HG12 VAL 68 0.725 6.673 -2.873 495 HG13 VAL 68 HG13 VAL 68 1.079 5.820 -4.378 496 HG21 VAL 68 HG21 VAL 68 -1.463 6.122 -1.649 497 HG22 VAL 68 HG22 VAL 68 -1.026 4.414 -1.730 498 HG23 VAL 68 HG23 VAL 68 -2.568 4.963 -2.387 499 H ASP 69 HN ASP 69 -2.420 6.511 -6.752 500 HA ASP 69 HA ASP 69 -5.243 6.397 -6.190 501 HB2 ASP 69 HB2 ASP 69 -3.792 6.012 -8.810 502 HB3 ASP 69 HB1 ASP 69 -5.530 6.126 -8.634 503 H THR 70 HN THR 70 -2.856 4.091 -7.427 504 HA THR 70 HA THR 70 -4.902 1.987 -7.243 505 HB THR 70 HB THR 70 -3.494 0.758 -8.886 506 HG1 THR 70 HG1 THR 70 -2.139 2.937 -9.848 507 HG21 THR 70 HG21 THR 70 -4.146 2.080 -10.859 508 HG22 THR 70 HG22 THR 70 -4.443 3.475 -9.815 509 HG23 THR 70 HG23 THR 70 -5.440 2.031 -9.660 510 HA PRO 71 HA PRO 71 -2.239 -0.150 -4.324 511 HB2 PRO 71 HB2 PRO 71 -3.070 -2.610 -5.791 512 HB3 PRO 71 HB1 PRO 71 -3.197 -2.240 -4.065 513 HG2 PRO 71 HG2 PRO 71 -5.361 -2.216 -5.585 514 HG3 PRO 71 HG1 PRO 71 -5.123 -0.966 -4.347 515 HD2 PRO 71 HD2 PRO 71 -4.689 -0.805 -7.308 516 HD3 PRO 71 HD1 PRO 71 -5.455 0.370 -6.218 517 H ARG 72 HN ARG 72 -2.191 -0.627 -7.762 518 HA ARG 72 HA ARG 72 0.218 -2.047 -8.041 519 HB2 ARG 72 HB2 ARG 72 -1.400 -1.757 -9.884 520 HB3 ARG 72 HB1 ARG 72 -1.045 -0.035 -9.933 521 HG2 ARG 72 HG2 ARG 72 1.285 -0.579 -10.544 522 HG3 ARG 72 HG1 ARG 72 0.847 -2.282 -10.584 523 HD2 ARG 72 HD2 ARG 72 -0.359 -0.116 -12.302 524 HD3 ARG 72 HD1 ARG 72 0.876 -1.257 -12.821 525 HE ARG 72 HE ARG 72 -1.892 -1.982 -12.099 526 HH11 ARG 72 HH11 ARG 72 1.102 -2.600 -13.927 527 HH12 ARG 72 HH12 ARG 72 0.425 -3.843 -14.871 528 HH21 ARG 72 HH21 ARG 72 -2.859 -3.695 -13.520 529 HH22 ARG 72 HH22 ARG 72 -1.850 -4.428 -14.659 530 H GLU 73 HN GLU 73 -0.553 1.417 -7.935 531 HA GLU 73 HA GLU 73 2.040 2.447 -8.338 532 HB2 GLU 73 HB2 GLU 73 -0.158 3.664 -8.560 533 HB3 GLU 73 HB1 GLU 73 -0.257 3.684 -6.810 534 HG2 GLU 73 HG2 GLU 73 0.526 5.813 -7.640 535 HG3 GLU 73 HG1 GLU 73 1.792 5.006 -6.717 536 H LEU 74 HN LEU 74 0.143 1.694 -5.477 537 HA LEU 74 HA LEU 74 1.953 2.593 -3.522 538 HB2 LEU 74 HB2 LEU 74 -0.509 2.072 -3.249 539 HB3 LEU 74 HB1 LEU 74 -0.115 0.379 -3.309 540 HG LEU 74 HG LEU 74 -0.649 1.279 -1.047 541 HD11 LEU 74 HD11 LEU 74 1.157 0.174 0.164 542 HD12 LEU 74 HD12 LEU 74 2.105 0.118 -1.325 543 HD13 LEU 74 HD13 LEU 74 0.592 -0.778 -1.209 544 HD21 LEU 74 HD21 LEU 74 1.046 2.580 0.154 545 HD22 LEU 74 HD22 LEU 74 0.365 3.459 -1.213 546 HD23 LEU 74 HD23 LEU 74 1.972 2.736 -1.342 547 H LEU 75 HN LEU 75 1.474 -0.571 -5.027 548 HA LEU 75 HA LEU 75 3.405 -2.086 -3.679 549 HB2 LEU 75 HB2 LEU 75 1.641 -2.980 -5.154 550 HB3 LEU 75 HB1 LEU 75 2.445 -2.278 -6.537 551 HG LEU 75 HG LEU 75 4.384 -3.788 -6.099 552 HD11 LEU 75 HD11 LEU 75 4.043 -5.701 -4.628 553 HD12 LEU 75 HD12 LEU 75 2.500 -5.018 -4.108 554 HD13 LEU 75 HD13 LEU 75 4.006 -4.176 -3.744 555 HD21 LEU 75 HD21 LEU 75 1.717 -5.129 -6.531 556 HD22 LEU 75 HD22 LEU 75 3.291 -5.797 -6.962 557 HD23 LEU 75 HD23 LEU 75 2.698 -4.344 -7.769 558 H ASP 76 HN ASP 76 3.558 -0.210 -6.664 559 HA ASP 76 HA ASP 76 6.194 -0.799 -7.405 560 HB2 ASP 76 HB2 ASP 76 4.569 0.136 -8.963 561 HB3 ASP 76 HB1 ASP 76 4.528 1.637 -8.046 562 H LEU 77 HN LEU 77 4.871 1.905 -5.588 563 HA LEU 77 HA LEU 77 7.138 3.424 -5.145 564 HB2 LEU 77 HB2 LEU 77 4.966 4.214 -4.530 565 HB3 LEU 77 HB1 LEU 77 4.743 2.897 -3.402 566 HG LEU 77 HG LEU 77 6.549 3.863 -1.989 567 HD11 LEU 77 HD11 LEU 77 7.763 5.102 -3.677 568 HD12 LEU 77 HD12 LEU 77 7.274 6.146 -2.347 569 HD13 LEU 77 HD13 LEU 77 6.394 6.200 -3.881 570 HD21 LEU 77 HD21 LEU 77 4.220 5.677 -2.578 571 HD22 LEU 77 HD22 LEU 77 5.200 5.697 -1.111 572 HD23 LEU 77 HD23 LEU 77 4.217 4.284 -1.493 573 H ILE 78 HN ILE 78 5.867 0.803 -3.127 574 HA ILE 78 HA ILE 78 7.992 0.996 -1.259 575 HB ILE 78 HB ILE 78 6.094 -1.339 -1.643 576 HG12 ILE 78 HG12 ILE 78 5.888 1.127 0.094 577 HG13 ILE 78 HG11 ILE 78 4.910 0.777 -1.326 578 HG21 ILE 78 HG21 ILE 78 8.077 -1.860 -0.265 579 HG22 ILE 78 HG22 ILE 78 6.616 -1.804 0.723 580 HG23 ILE 78 HG23 ILE 78 7.745 -0.447 0.737 581 HD11 ILE 78 HD11 ILE 78 3.963 -1.155 -0.186 582 HD12 ILE 78 HD12 ILE 78 3.697 0.344 0.708 583 HD13 ILE 78 HD13 ILE 78 4.946 -0.782 1.233 584 H ASN 79 HN ASN 79 7.322 -1.259 -3.934 585 HA ASN 79 HA ASN 79 9.620 -2.836 -3.548 586 HB2 ASN 79 HB2 ASN 79 8.021 -2.311 -6.050 587 HB3 ASN 79 HB1 ASN 79 9.422 -3.371 -6.037 588 HD21 ASN 79 HD21 ASN 79 6.686 -3.968 -6.634 589 HD22 ASN 79 HD22 ASN 79 6.177 -5.200 -5.518 590 H GLY 80 HN GLY 80 9.203 0.241 -5.119 591 HA2 GLY 80 HA2 GLY 80 11.706 0.382 -6.417 592 HA3 GLY 80 HA1 GLY 80 10.732 1.755 -5.906 593 H ALA 81 HN ALA 81 10.733 0.912 -3.123 594 HA ALA 81 HA ALA 81 13.316 1.970 -2.348 595 HB1 ALA 81 HB1 ALA 81 11.284 2.772 -1.215 596 HB2 ALA 81 HB2 ALA 81 12.372 1.992 -0.071 597 HB3 ALA 81 HB3 ALA 81 10.943 1.137 -0.652 598 H LEU 82 HN LEU 82 11.444 -0.976 -1.963 599 HA LEU 82 HA LEU 82 13.175 -2.454 -0.335 600 HB2 LEU 82 HB2 LEU 82 11.117 -3.331 -2.332 601 HB3 LEU 82 HB1 LEU 82 11.967 -4.437 -1.279 602 HG LEU 82 HG LEU 82 10.181 -2.193 -0.333 603 HD11 LEU 82 HD11 LEU 82 9.703 -5.167 -0.479 604 HD12 LEU 82 HD12 LEU 82 8.927 -3.945 -1.485 605 HD13 LEU 82 HD13 LEU 82 8.621 -3.983 0.251 606 HD21 LEU 82 HD21 LEU 82 11.502 -4.468 1.146 607 HD22 LEU 82 HD22 LEU 82 10.382 -3.295 1.841 608 HD23 LEU 82 HD23 LEU 82 11.957 -2.769 1.247 609 H ALA 83 HN ALA 83 13.186 -1.973 -3.785 610 HA ALA 83 HA ALA 83 14.809 -4.060 -4.606 611 HB1 ALA 83 HB1 ALA 83 14.779 -1.256 -5.715 612 HB2 ALA 83 HB2 ALA 83 13.659 -2.545 -6.149 613 HB3 ALA 83 HB3 ALA 83 15.374 -2.696 -6.539 614 H GLU 84 HN GLU 84 15.697 -1.042 -3.070 615 HA GLU 84 HA GLU 84 18.402 -2.097 -2.989 616 HB2 GLU 84 HB2 GLU 84 18.267 0.078 -4.203 617 HB3 GLU 84 HB1 GLU 84 17.623 0.823 -2.746 618 HG2 GLU 84 HG2 GLU 84 19.687 0.342 -1.563 619 HG3 GLU 84 HG1 GLU 84 20.330 -0.462 -2.993 620 H ALA 85 HN ALA 85 17.385 -3.354 -1.407 621 HA ALA 85 HA ALA 85 17.927 -2.325 1.250 622 HB1 ALA 85 HB1 ALA 85 15.319 -3.695 0.522 623 HB2 ALA 85 HB2 ALA 85 15.493 -2.015 1.029 624 HB3 ALA 85 HB3 ALA 85 15.846 -3.319 2.165 625 H ALA 86 HN ALA 86 16.601 -5.051 -0.558 626 HA ALA 86 HA ALA 86 17.253 -7.136 -0.952 627 HB1 ALA 86 HB1 ALA 86 19.513 -7.938 -0.508 628 HB2 ALA 86 HB2 ALA 86 19.836 -6.535 0.511 629 HB3 ALA 86 HB3 ALA 86 19.575 -6.325 -1.223 630 H28 SXV 87 H28A SXV 87 -7.008 14.072 3.182 631 H28A SXV 87 H28B SXV 87 -7.169 12.832 4.431 632 H30 SXV 87 H30C SXV 87 -4.382 11.816 4.387 633 H30A SXV 87 H30A SXV 87 -5.311 12.222 5.831 634 H30B SXV 87 H30B SXV 87 -3.707 12.918 5.588 635 H31 SXV 87 H31C SXV 87 -4.704 15.072 2.733 636 H31A SXV 87 H31A SXV 87 -3.967 13.473 2.649 637 H31B SXV 87 H31B SXV 87 -3.350 14.664 3.794 638 H32 SXV 87 H32A SXV 87 -4.679 15.238 5.937 639 HO33 SXV 87 H33A SXV 87 -7.322 14.840 6.100 640 HN36 SXV 87 H36A SXV 87 -4.611 16.767 3.978 641 H37 SXV 87 H37B SXV 87 -6.794 18.627 4.083 642 H37A SXV 87 H37A SXV 87 -6.637 17.854 2.513 643 H38 SXV 87 H38B SXV 87 -4.458 19.414 3.930 644 H38A SXV 87 H38A SXV 87 -5.494 20.034 2.644 645 HN41 SXV 87 H41A SXV 87 -2.961 20.302 2.271 646 H42 SXV 87 H42B SXV 87 -2.366 19.312 -0.216 647 H42A SXV 87 H42A SXV 87 -1.567 18.210 0.898 648 H43 SXV 87 H43B SXV 87 -1.223 21.204 0.870 649 H43A SXV 87 H43A SXV 87 -0.287 20.070 1.827 650 H1 SXV 87 H1B SXV 87 -0.091 20.287 -2.800 651 H1A SXV 87 H1A SXV 87 -1.545 19.883 -1.873 652 H2 SXV 87 H2A SXV 87 -1.575 22.143 -0.948 653 H2A SXV 87 H2B SXV 87 -1.923 22.041 -2.676 654 H4 SXV 87 H4C SXV 87 -0.527 24.480 -0.798 655 H4A SXV 87 H4A SXV 87 1.115 24.555 -1.443 656 H4B SXV 87 H4B SXV 87 0.691 23.323 -0.245 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 20.862 -6.790 -5.342 2 H2 MET 1 HT2 MET 1 20.924 -6.012 -3.849 3 H3 MET 1 HT3 MET 1 19.709 -5.594 -4.977 4 HA MET 1 HA MET 1 18.749 -7.751 -4.792 5 HB2 MET 1 HB2 MET 1 20.770 -9.013 -4.178 6 HB3 MET 1 HB1 MET 1 20.861 -8.153 -2.647 7 HG2 MET 1 HG2 MET 1 18.728 -9.157 -1.966 8 HG3 MET 1 HG1 MET 1 18.655 -10.027 -3.494 9 HE1 MET 1 HE1 MET 1 19.376 -12.848 -0.860 10 HE2 MET 1 HE2 MET 1 18.288 -12.283 -2.130 11 HE3 MET 1 HE3 MET 1 18.403 -11.398 -0.609 12 H ALA 2 HN ALA 2 16.895 -7.261 -3.947 13 HA ALA 2 HA ALA 2 16.736 -6.122 -1.267 14 HB1 ALA 2 HB1 ALA 2 16.732 -4.227 -2.803 15 HB2 ALA 2 HB2 ALA 2 15.144 -4.442 -2.069 16 HB3 ALA 2 HB3 ALA 2 15.429 -4.966 -3.728 17 H THR 3 HN THR 3 14.774 -6.712 -0.229 18 HA THR 3 HA THR 3 13.370 -8.909 -1.451 19 HB THR 3 HB THR 3 12.833 -7.424 1.060 20 HG1 THR 3 HG1 THR 3 14.932 -9.034 0.379 21 HG21 THR 3 HG21 THR 3 11.045 -8.940 0.385 22 HG22 THR 3 HG22 THR 3 11.851 -9.574 1.819 23 HG23 THR 3 HG23 THR 3 12.199 -10.265 0.235 24 H LEU 4 HN LEU 4 11.991 -8.216 -3.025 25 HA LEU 4 HA LEU 4 10.459 -5.781 -2.601 26 HB2 LEU 4 HB2 LEU 4 10.466 -7.661 -4.969 27 HB3 LEU 4 HB1 LEU 4 9.675 -6.103 -4.895 28 HG LEU 4 HG LEU 4 12.646 -6.615 -4.910 29 HD11 LEU 4 HD11 LEU 4 10.824 -5.297 -6.907 30 HD12 LEU 4 HD12 LEU 4 11.594 -6.876 -7.071 31 HD13 LEU 4 HD13 LEU 4 12.580 -5.414 -7.034 32 HD21 LEU 4 HD21 LEU 4 12.135 -4.727 -3.451 33 HD22 LEU 4 HD22 LEU 4 11.166 -3.992 -4.729 34 HD23 LEU 4 HD23 LEU 4 12.907 -4.183 -4.940 35 H LEU 5 HN LEU 5 8.543 -5.885 -1.656 36 HA LEU 5 HA LEU 5 7.355 -8.385 -1.127 37 HB2 LEU 5 HB2 LEU 5 5.467 -7.099 -0.122 38 HB3 LEU 5 HB1 LEU 5 7.033 -6.742 0.552 39 HG LEU 5 HG LEU 5 7.004 -4.604 -0.849 40 HD11 LEU 5 HD11 LEU 5 5.253 -5.204 -2.436 41 HD12 LEU 5 HD12 LEU 5 4.825 -3.751 -1.531 42 HD13 LEU 5 HD13 LEU 5 4.083 -5.295 -1.120 43 HD21 LEU 5 HD21 LEU 5 4.925 -5.015 1.267 44 HD22 LEU 5 HD22 LEU 5 5.552 -3.449 0.742 45 HD23 LEU 5 HD23 LEU 5 6.621 -4.620 1.528 46 H THR 6 HN THR 6 5.500 -9.318 -1.897 47 HA THR 6 HA THR 6 4.950 -8.561 -4.616 48 HB THR 6 HB THR 6 3.790 -10.793 -4.616 49 HG1 THR 6 HG1 THR 6 4.285 -12.144 -2.817 50 HG21 THR 6 HG21 THR 6 5.892 -12.081 -4.646 51 HG22 THR 6 HG22 THR 6 6.712 -10.764 -3.806 52 HG23 THR 6 HG23 THR 6 6.102 -10.522 -5.441 53 H THR 7 HN THR 7 2.515 -9.354 -5.121 54 HA THR 7 HA THR 7 0.849 -7.472 -3.895 55 HB THR 7 HB THR 7 -0.905 -8.788 -5.290 56 HG1 THR 7 HG1 THR 7 -0.039 -10.600 -5.977 57 HG21 THR 7 HG21 THR 7 -0.109 -7.662 -7.335 58 HG22 THR 7 HG22 THR 7 1.470 -7.428 -6.586 59 HG23 THR 7 HG23 THR 7 0.052 -6.615 -5.925 60 H ASP 8 HN ASP 8 1.709 -10.594 -2.987 61 HA ASP 8 HA ASP 8 -0.757 -11.242 -1.663 62 HB2 ASP 8 HB2 ASP 8 1.990 -12.509 -1.467 63 HB3 ASP 8 HB1 ASP 8 0.563 -13.121 -0.638 64 H ASP 9 HN ASP 9 2.448 -10.149 -0.689 65 HA ASP 9 HA ASP 9 1.780 -9.867 2.069 66 HB2 ASP 9 HB2 ASP 9 4.139 -10.058 1.278 67 HB3 ASP 9 HB1 ASP 9 3.979 -8.485 0.513 68 H LEU 10 HN LEU 10 1.862 -7.695 -0.695 69 HA LEU 10 HA LEU 10 1.200 -5.275 0.493 70 HB2 LEU 10 HB2 LEU 10 1.838 -5.523 -1.861 71 HB3 LEU 10 HB1 LEU 10 0.337 -6.361 -2.190 72 HG LEU 10 HG LEU 10 -0.879 -4.265 -1.555 73 HD11 LEU 10 HD11 LEU 10 1.880 -3.069 -1.618 74 HD12 LEU 10 HD12 LEU 10 0.834 -3.223 -0.209 75 HD13 LEU 10 HD13 LEU 10 0.365 -2.169 -1.542 76 HD21 LEU 10 HD21 LEU 10 1.059 -4.084 -3.857 77 HD22 LEU 10 HD22 LEU 10 -0.408 -3.123 -3.666 78 HD23 LEU 10 HD23 LEU 10 -0.521 -4.871 -3.877 79 H ARG 11 HN ARG 11 -0.903 -7.852 -0.721 80 HA ARG 11 HA ARG 11 -3.422 -6.756 -0.302 81 HB2 ARG 11 HB2 ARG 11 -2.969 -8.897 -1.435 82 HB3 ARG 11 HB1 ARG 11 -2.562 -9.612 0.115 83 HG2 ARG 11 HG2 ARG 11 -4.919 -9.004 0.846 84 HG3 ARG 11 HG1 ARG 11 -5.246 -8.681 -0.860 85 HD2 ARG 11 HD2 ARG 11 -4.399 -11.273 0.402 86 HD3 ARG 11 HD1 ARG 11 -5.908 -10.923 -0.438 87 HE ARG 11 HE ARG 11 -4.466 -10.601 -2.452 88 HH11 ARG 11 HH11 ARG 11 -3.630 -12.789 0.193 89 HH12 ARG 11 HH12 ARG 11 -2.589 -13.775 -0.715 90 HH21 ARG 11 HH21 ARG 11 -2.995 -11.938 -3.751 91 HH22 ARG 11 HH22 ARG 11 -2.153 -13.241 -3.024 92 H ARG 12 HN ARG 12 -1.481 -8.792 1.841 93 HA ARG 12 HA ARG 12 -3.289 -8.897 3.972 94 HB2 ARG 12 HB2 ARG 12 -0.279 -9.078 4.149 95 HB3 ARG 12 HB1 ARG 12 -1.426 -9.653 5.348 96 HG2 ARG 12 HG2 ARG 12 -2.300 -11.256 3.665 97 HG3 ARG 12 HG1 ARG 12 -1.020 -10.735 2.567 98 HD2 ARG 12 HD2 ARG 12 -0.299 -12.730 3.662 99 HD3 ARG 12 HD1 ARG 12 0.637 -11.379 4.310 100 HE ARG 12 HE ARG 12 -1.763 -12.166 5.738 101 HH11 ARG 12 HH11 ARG 12 1.790 -12.123 5.675 102 HH12 ARG 12 HH12 ARG 12 1.973 -12.723 7.250 103 HH21 ARG 12 HH21 ARG 12 -1.524 -12.936 7.929 104 HH22 ARG 12 HH22 ARG 12 0.002 -13.246 8.577 105 H ALA 13 HN ALA 13 -0.549 -6.743 3.413 106 HA ALA 13 HA ALA 13 -0.803 -5.299 5.818 107 HB1 ALA 13 HB1 ALA 13 0.406 -4.430 3.214 108 HB2 ALA 13 HB2 ALA 13 1.229 -5.338 4.483 109 HB3 ALA 13 HB3 ALA 13 0.679 -3.691 4.789 110 H LEU 14 HN LEU 14 -2.228 -4.890 2.633 111 HA LEU 14 HA LEU 14 -3.319 -2.331 3.143 112 HB2 LEU 14 HB2 LEU 14 -2.976 -3.250 0.863 113 HB3 LEU 14 HB1 LEU 14 -4.240 -4.421 1.160 114 HG LEU 14 HG LEU 14 -5.901 -2.610 1.290 115 HD11 LEU 14 HD11 LEU 14 -5.290 -0.326 0.677 116 HD12 LEU 14 HD12 LEU 14 -3.588 -0.790 0.620 117 HD13 LEU 14 HD13 LEU 14 -4.462 -0.833 2.150 118 HD21 LEU 14 HD21 LEU 14 -4.174 -2.501 -1.185 119 HD22 LEU 14 HD22 LEU 14 -5.849 -1.960 -1.067 120 HD23 LEU 14 HD23 LEU 14 -5.459 -3.666 -0.863 121 H VAL 15 HN VAL 15 -4.401 -5.579 3.792 122 HA VAL 15 HA VAL 15 -7.027 -4.813 4.649 123 HB VAL 15 HB VAL 15 -5.388 -7.241 5.496 124 HG11 VAL 15 HG11 VAL 15 -7.231 -6.787 7.028 125 HG12 VAL 15 HG12 VAL 15 -7.549 -8.244 6.087 126 HG13 VAL 15 HG13 VAL 15 -8.361 -6.735 5.675 127 HG21 VAL 15 HG21 VAL 15 -7.454 -6.973 3.309 128 HG22 VAL 15 HG22 VAL 15 -6.671 -8.473 3.806 129 HG23 VAL 15 HG23 VAL 15 -5.718 -7.181 3.075 130 H GLU 16 HN GLU 16 -3.954 -5.445 6.255 131 HA GLU 16 HA GLU 16 -4.601 -5.001 8.916 132 HB2 GLU 16 HB2 GLU 16 -1.915 -4.378 7.592 133 HB3 GLU 16 HB1 GLU 16 -2.246 -4.490 9.294 134 HG2 GLU 16 HG2 GLU 16 -2.846 -6.804 9.152 135 HG3 GLU 16 HG1 GLU 16 -2.657 -6.774 7.398 136 H SER 17 HN SER 17 -4.436 -2.683 6.445 137 HA SER 17 HA SER 17 -3.721 -0.395 7.965 138 HB2 SER 17 HB2 SER 17 -5.316 -0.533 5.416 139 HB3 SER 17 HB1 SER 17 -4.387 0.838 6.029 140 HG SER 17 HG SER 17 -3.041 -1.604 5.656 141 H ALA 18 HN ALA 18 -6.740 -2.044 7.267 142 HA ALA 18 HA ALA 18 -8.208 0.006 8.751 143 HB1 ALA 18 HB1 ALA 18 -9.236 -2.287 7.083 144 HB2 ALA 18 HB2 ALA 18 -9.118 -0.605 6.564 145 HB3 ALA 18 HB3 ALA 18 -10.224 -1.052 7.864 146 H GLY 19 HN GLY 19 -7.049 -3.220 8.840 147 HA2 GLY 19 HA2 GLY 19 -6.690 -4.318 10.906 148 HA3 GLY 19 HA1 GLY 19 -8.086 -3.465 11.563 149 H GLU 20 HN GLU 20 -9.517 -4.969 12.050 150 HA GLU 20 HA GLU 20 -9.856 -7.236 10.362 151 HB2 GLU 20 HB2 GLU 20 -11.446 -6.297 12.750 152 HB3 GLU 20 HB1 GLU 20 -11.750 -7.802 11.894 153 HG2 GLU 20 HG2 GLU 20 -9.244 -7.052 13.387 154 HG3 GLU 20 HG1 GLU 20 -10.447 -8.253 13.860 155 H THR 21 HN THR 21 -10.396 -6.601 8.449 156 HA THR 21 HA THR 21 -13.127 -5.725 8.062 157 HB THR 21 HB THR 21 -10.785 -4.411 6.675 158 HG1 THR 21 HG1 THR 21 -11.998 -3.933 9.014 159 HG21 THR 21 HG21 THR 21 -12.798 -4.544 5.264 160 HG22 THR 21 HG22 THR 21 -12.491 -2.876 5.742 161 HG23 THR 21 HG23 THR 21 -13.756 -3.806 6.547 162 H ASP 22 HN ASP 22 -13.165 -7.981 7.627 163 HA ASP 22 HA ASP 22 -11.994 -8.889 5.132 164 HB2 ASP 22 HB2 ASP 22 -13.928 -10.269 7.026 165 HB3 ASP 22 HB1 ASP 22 -13.315 -10.997 5.547 166 H GLY 23 HN GLY 23 -13.537 -9.890 3.510 167 HA2 GLY 23 HA2 GLY 23 -15.623 -9.688 2.360 168 HA3 GLY 23 HA1 GLY 23 -15.934 -8.200 3.255 169 H THR 24 HN THR 24 -13.467 -6.956 2.922 170 HA THR 24 HA THR 24 -13.625 -5.935 0.267 171 HB THR 24 HB THR 24 -11.461 -5.506 2.361 172 HG1 THR 24 HG1 THR 24 -12.962 -3.532 2.683 173 HG21 THR 24 HG21 THR 24 -10.943 -4.632 0.113 174 HG22 THR 24 HG22 THR 24 -11.206 -3.317 1.259 175 HG23 THR 24 HG23 THR 24 -12.468 -3.748 0.105 176 H ASP 25 HN ASP 25 -13.262 -7.902 -0.875 177 HA ASP 25 HA ASP 25 -10.972 -9.511 -0.541 178 HB2 ASP 25 HB2 ASP 25 -12.944 -10.445 -1.573 179 HB3 ASP 25 HB1 ASP 25 -12.813 -9.307 -2.917 180 H LEU 26 HN LEU 26 -9.017 -9.244 -1.104 181 HA LEU 26 HA LEU 26 -8.304 -7.504 -3.398 182 HB2 LEU 26 HB2 LEU 26 -6.829 -7.902 -0.803 183 HB3 LEU 26 HB1 LEU 26 -6.362 -6.845 -2.116 184 HG LEU 26 HG LEU 26 -8.905 -6.459 -0.567 185 HD11 LEU 26 HD11 LEU 26 -7.673 -4.819 0.739 186 HD12 LEU 26 HD12 LEU 26 -6.186 -5.298 -0.112 187 HD13 LEU 26 HD13 LEU 26 -7.040 -6.464 0.907 188 HD21 LEU 26 HD21 LEU 26 -7.236 -4.619 -2.289 189 HD22 LEU 26 HD22 LEU 26 -8.714 -4.176 -1.435 190 HD23 LEU 26 HD23 LEU 26 -8.773 -5.350 -2.751 191 H SER 27 HN SER 27 -8.771 -10.379 -2.909 192 HA SER 27 HA SER 27 -6.227 -11.657 -2.756 193 HB2 SER 27 HB2 SER 27 -8.823 -12.944 -3.554 194 HB3 SER 27 HB1 SER 27 -7.397 -13.737 -2.878 195 HG SER 27 HG SER 27 -9.399 -12.316 -1.680 196 H GLY 28 HN GLY 28 -7.829 -10.348 -5.277 197 HA2 GLY 28 HA2 GLY 28 -5.801 -11.121 -7.132 198 HA3 GLY 28 HA1 GLY 28 -7.270 -12.034 -7.427 199 H ASP 29 HN ASP 29 -5.658 -9.802 -8.748 200 HA ASP 29 HA ASP 29 -6.018 -8.149 -10.250 201 HB2 ASP 29 HB2 ASP 29 -8.912 -9.011 -10.080 202 HB3 ASP 29 HB1 ASP 29 -8.276 -7.900 -11.287 203 H PHE 30 HN PHE 30 -6.028 -7.587 -7.561 204 HA PHE 30 HA PHE 30 -7.982 -5.488 -7.143 205 HB2 PHE 30 HB2 PHE 30 -7.123 -5.288 -4.897 206 HB3 PHE 30 HB1 PHE 30 -7.328 -6.991 -5.273 207 HD1 PHE 30 HD2 PHE 30 -5.165 -8.185 -6.157 208 HD2 PHE 30 HD1 PHE 30 -5.161 -4.591 -3.880 209 HE1 PHE 30 HE2 PHE 30 -2.836 -8.611 -5.500 210 HE2 PHE 30 HE1 PHE 30 -2.827 -5.010 -3.226 211 HZ PHE 30 HZ PHE 30 -1.703 -6.992 -3.892 212 H LEU 31 HN LEU 31 -5.259 -5.574 -8.887 213 HA LEU 31 HA LEU 31 -4.027 -3.136 -7.931 214 HB2 LEU 31 HB2 LEU 31 -3.471 -4.750 -10.422 215 HB3 LEU 31 HB1 LEU 31 -2.517 -3.396 -9.861 216 HG LEU 31 HG LEU 31 -2.823 -6.059 -8.474 217 HD11 LEU 31 HD11 LEU 31 -1.433 -6.159 -10.463 218 HD12 LEU 31 HD12 LEU 31 -0.451 -6.325 -9.006 219 HD13 LEU 31 HD13 LEU 31 -0.477 -4.797 -9.883 220 HD21 LEU 31 HD21 LEU 31 -2.597 -4.246 -6.849 221 HD22 LEU 31 HD22 LEU 31 -1.176 -3.645 -7.702 222 HD23 LEU 31 HD23 LEU 31 -1.126 -5.219 -6.908 223 H ASP 32 HN ASP 32 -6.510 -4.041 -10.025 224 HA ASP 32 HA ASP 32 -6.437 -1.509 -11.479 225 HB2 ASP 32 HB2 ASP 32 -6.886 -3.715 -12.666 226 HB3 ASP 32 HB1 ASP 32 -8.432 -3.760 -11.828 227 H LEU 33 HN LEU 33 -7.518 -2.608 -8.644 228 HA LEU 33 HA LEU 33 -10.039 -1.238 -8.537 229 HB2 LEU 33 HB2 LEU 33 -8.321 -2.593 -6.471 230 HB3 LEU 33 HB1 LEU 33 -9.725 -1.648 -6.027 231 HG LEU 33 HG LEU 33 -9.831 -4.079 -7.823 232 HD11 LEU 33 HD11 LEU 33 -9.137 -4.660 -5.527 233 HD12 LEU 33 HD12 LEU 33 -10.779 -5.213 -5.867 234 HD13 LEU 33 HD13 LEU 33 -10.519 -3.766 -4.892 235 HD21 LEU 33 HD21 LEU 33 -11.621 -2.459 -8.173 236 HD22 LEU 33 HD22 LEU 33 -11.948 -2.450 -6.439 237 HD23 LEU 33 HD23 LEU 33 -12.232 -3.918 -7.384 238 H ARG 34 HN ARG 34 -10.393 0.716 -7.588 239 HA ARG 34 HA ARG 34 -8.014 2.304 -7.082 240 HB2 ARG 34 HB2 ARG 34 -10.923 3.038 -7.452 241 HB3 ARG 34 HB1 ARG 34 -9.619 4.178 -7.171 242 HG2 ARG 34 HG2 ARG 34 -9.823 2.363 -9.557 243 HG3 ARG 34 HG1 ARG 34 -10.339 4.052 -9.520 244 HD2 ARG 34 HD2 ARG 34 -8.078 4.714 -8.918 245 HD3 ARG 34 HD1 ARG 34 -7.542 3.044 -9.012 246 HE ARG 34 HE ARG 34 -8.333 3.195 -11.413 247 HH11 ARG 34 HH11 ARG 34 -7.277 6.053 -9.637 248 HH12 ARG 34 HH12 ARG 34 -6.679 6.900 -10.996 249 HH21 ARG 34 HH21 ARG 34 -7.515 4.336 -13.340 250 HH22 ARG 34 HH22 ARG 34 -6.822 5.871 -13.164 251 H PHE 35 HN PHE 35 -8.228 3.681 -5.125 252 HA PHE 35 HA PHE 35 -9.091 1.989 -3.011 253 HB2 PHE 35 HB2 PHE 35 -7.877 4.742 -2.925 254 HB3 PHE 35 HB1 PHE 35 -8.292 3.804 -1.485 255 HD1 PHE 35 HD2 PHE 35 -7.347 1.408 -1.370 256 HD2 PHE 35 HD1 PHE 35 -5.814 4.458 -3.878 257 HE1 PHE 35 HE2 PHE 35 -5.226 0.180 -1.555 258 HE2 PHE 35 HE1 PHE 35 -3.716 3.249 -4.093 259 HZ PHE 35 HZ PHE 35 -3.399 1.098 -2.917 260 H GLU 36 HN GLU 36 -10.487 4.541 -4.723 261 HA GLU 36 HA GLU 36 -12.568 5.278 -2.993 262 HB2 GLU 36 HB2 GLU 36 -13.812 5.862 -5.077 263 HB3 GLU 36 HB1 GLU 36 -12.164 6.479 -5.075 264 HG2 GLU 36 HG2 GLU 36 -11.455 4.673 -6.516 265 HG3 GLU 36 HG1 GLU 36 -13.062 3.969 -6.463 266 H ASP 37 HN ASP 37 -12.099 2.428 -5.002 267 HA ASP 37 HA ASP 37 -14.796 1.479 -4.934 268 HB2 ASP 37 HB2 ASP 37 -12.247 -0.035 -5.546 269 HB3 ASP 37 HB1 ASP 37 -13.871 -0.642 -5.792 270 H ILE 38 HN ILE 38 -11.991 1.089 -2.959 271 HA ILE 38 HA ILE 38 -13.417 -0.960 -1.436 272 HB ILE 38 HB ILE 38 -11.203 -1.652 -0.503 273 HG12 ILE 38 HG12 ILE 38 -10.114 0.151 -2.682 274 HG13 ILE 38 HG11 ILE 38 -10.007 0.488 -0.963 275 HG21 ILE 38 HG21 ILE 38 -10.518 -2.836 -2.552 276 HG22 ILE 38 HG22 ILE 38 -11.562 -1.751 -3.488 277 HG23 ILE 38 HG23 ILE 38 -12.271 -2.852 -2.312 278 HD11 ILE 38 HD11 ILE 38 -8.623 -1.509 -0.669 279 HD12 ILE 38 HD12 ILE 38 -7.910 -0.386 -1.828 280 HD13 ILE 38 HD13 ILE 38 -8.735 -1.837 -2.398 281 H GLY 39 HN GLY 39 -13.515 1.975 -1.246 282 HA2 GLY 39 HA2 GLY 39 -13.893 3.553 0.406 283 HA3 GLY 39 HA1 GLY 39 -14.096 2.186 1.482 284 H TYR 40 HN TYR 40 -11.178 3.217 -0.219 285 HA TYR 40 HA TYR 40 -9.900 3.603 2.387 286 HB2 TYR 40 HB2 TYR 40 -9.039 2.152 -0.004 287 HB3 TYR 40 HB1 TYR 40 -7.820 3.239 0.649 288 HD1 TYR 40 HD2 TYR 40 -9.921 0.292 1.390 289 HD2 TYR 40 HD1 TYR 40 -6.741 2.790 2.681 290 HE1 TYR 40 HE2 TYR 40 -9.342 -1.344 3.136 291 HE2 TYR 40 HE1 TYR 40 -6.144 1.166 4.411 292 HH TYR 40 HH TYR 40 -7.099 -1.887 4.425 293 H ASP 41 HN ASP 41 -9.100 5.494 2.829 294 HA ASP 41 HA ASP 41 -8.903 7.482 0.675 295 HB2 ASP 41 HB2 ASP 41 -9.024 7.836 3.679 296 HB3 ASP 41 HB1 ASP 41 -8.636 9.140 2.573 297 H SER 42 HN SER 42 -7.123 9.097 1.086 298 HA SER 42 HA SER 42 -4.621 7.971 0.660 299 HB2 SER 42 HB2 SER 42 -3.918 10.349 1.111 300 HB3 SER 42 HB1 SER 42 -5.213 10.165 -0.087 301 H LEU 43 HN LEU 43 -6.045 9.483 3.410 302 HA LEU 43 HA LEU 43 -4.006 9.410 5.289 303 HB2 LEU 43 HB2 LEU 43 -6.943 9.089 5.843 304 HB3 LEU 43 HB1 LEU 43 -5.726 9.738 6.926 305 HG LEU 43 HG LEU 43 -6.659 11.012 4.359 306 HD11 LEU 43 HD11 LEU 43 -8.323 11.143 6.105 307 HD12 LEU 43 HD12 LEU 43 -7.602 12.720 5.789 308 HD13 LEU 43 HD13 LEU 43 -7.121 11.802 7.219 309 HD21 LEU 43 HD21 LEU 43 -5.297 12.913 5.042 310 HD22 LEU 43 HD22 LEU 43 -4.314 11.472 4.780 311 HD23 LEU 43 HD23 LEU 43 -4.702 11.992 6.422 312 H ALA 44 HN ALA 44 -6.403 6.950 4.496 313 HA ALA 44 HA ALA 44 -5.602 5.123 6.524 314 HB1 ALA 44 HB1 ALA 44 -7.025 3.527 5.353 315 HB2 ALA 44 HB2 ALA 44 -7.148 4.635 3.984 316 HB3 ALA 44 HB3 ALA 44 -7.839 5.080 5.546 317 H LEU 45 HN LEU 45 -4.663 5.740 3.244 318 HA LEU 45 HA LEU 45 -3.168 3.360 2.789 319 HB2 LEU 45 HB2 LEU 45 -2.887 6.083 1.529 320 HB3 LEU 45 HB1 LEU 45 -2.221 4.586 0.899 321 HG LEU 45 HG LEU 45 -5.147 5.188 1.223 322 HD11 LEU 45 HD11 LEU 45 -3.432 5.087 -1.240 323 HD12 LEU 45 HD12 LEU 45 -4.164 6.525 -0.528 324 HD13 LEU 45 HD13 LEU 45 -5.185 5.260 -1.212 325 HD21 LEU 45 HD21 LEU 45 -3.729 2.839 -0.006 326 HD22 LEU 45 HD22 LEU 45 -5.467 3.127 -0.045 327 HD23 LEU 45 HD23 LEU 45 -4.653 2.837 1.495 328 H MET 46 HN MET 46 -2.550 6.311 4.388 329 HA MET 46 HA MET 46 0.287 6.183 4.466 330 HB2 MET 46 HB2 MET 46 -1.657 7.541 6.347 331 HB3 MET 46 HB1 MET 46 0.081 7.807 6.330 332 HG2 MET 46 HG2 MET 46 -0.024 8.790 4.138 333 HG3 MET 46 HG1 MET 46 -1.717 8.329 3.990 334 HE1 MET 46 HE1 MET 46 -1.978 12.224 4.221 335 HE2 MET 46 HE2 MET 46 -2.409 10.785 3.299 336 HE3 MET 46 HE3 MET 46 -0.724 11.285 3.416 337 H GLU 47 HN GLU 47 -2.291 4.730 6.272 338 HA GLU 47 HA GLU 47 -0.713 3.809 8.466 339 HB2 GLU 47 HB2 GLU 47 -3.191 4.138 8.545 340 HB3 GLU 47 HB1 GLU 47 -3.374 2.814 7.415 341 HG2 GLU 47 HG2 GLU 47 -3.860 2.098 9.672 342 HG3 GLU 47 HG1 GLU 47 -2.438 1.267 9.042 343 H THR 48 HN THR 48 -1.845 2.481 5.384 344 HA THR 48 HA THR 48 -0.962 -0.134 5.445 345 HB THR 48 HB THR 48 -0.687 1.712 3.063 346 HG1 THR 48 HG1 THR 48 -3.004 0.612 4.261 347 HG21 THR 48 HG21 THR 48 -1.663 -1.131 3.357 348 HG22 THR 48 HG22 THR 48 -0.058 -0.668 2.776 349 HG23 THR 48 HG23 THR 48 -1.499 -0.250 1.840 350 H ALA 49 HN ALA 49 0.677 2.713 4.130 351 HA ALA 49 HA ALA 49 3.150 1.563 3.592 352 HB1 ALA 49 HB1 ALA 49 2.395 3.691 2.647 353 HB2 ALA 49 HB2 ALA 49 3.981 3.839 3.401 354 HB3 ALA 49 HB3 ALA 49 2.549 4.447 4.232 355 H ALA 50 HN ALA 50 2.089 3.408 6.457 356 HA ALA 50 HA ALA 50 4.484 3.573 7.831 357 HB1 ALA 50 HB1 ALA 50 3.177 3.938 9.817 358 HB2 ALA 50 HB2 ALA 50 1.769 3.220 9.038 359 HB3 ALA 50 HB3 ALA 50 2.415 4.755 8.445 360 H ARG 51 HN ARG 51 2.062 1.030 7.992 361 HA ARG 51 HA ARG 51 3.403 -0.467 9.971 362 HB2 ARG 51 HB2 ARG 51 1.022 -0.729 9.579 363 HB3 ARG 51 HB1 ARG 51 1.321 -1.295 7.946 364 HG2 ARG 51 HG2 ARG 51 2.350 -3.296 8.783 365 HG3 ARG 51 HG1 ARG 51 2.212 -2.705 10.440 366 HD2 ARG 51 HD2 ARG 51 -0.138 -3.039 8.639 367 HD3 ARG 51 HD1 ARG 51 0.456 -4.370 9.644 368 HE ARG 51 HE ARG 51 -0.420 -1.777 10.790 369 HH11 ARG 51 HH11 ARG 51 -0.704 -5.345 10.710 370 HH12 ARG 51 HH12 ARG 51 -1.703 -5.405 12.084 371 HH21 ARG 51 HH21 ARG 51 -1.923 -1.937 12.642 372 HH22 ARG 51 HH22 ARG 51 -2.419 -3.463 13.168 373 H LEU 52 HN LEU 52 3.188 -0.925 6.456 374 HA LEU 52 HA LEU 52 5.093 -2.936 6.252 375 HB2 LEU 52 HB2 LEU 52 4.301 -0.820 4.284 376 HB3 LEU 52 HB1 LEU 52 5.471 -2.070 3.888 377 HG LEU 52 HG LEU 52 2.643 -2.613 4.788 378 HD11 LEU 52 HD11 LEU 52 2.224 -3.236 2.473 379 HD12 LEU 52 HD12 LEU 52 3.853 -2.730 2.033 380 HD13 LEU 52 HD13 LEU 52 2.679 -1.537 2.596 381 HD21 LEU 52 HD21 LEU 52 4.223 -4.379 5.350 382 HD22 LEU 52 HD22 LEU 52 4.789 -4.421 3.681 383 HD23 LEU 52 HD23 LEU 52 3.133 -4.892 4.064 384 H GLU 53 HN GLU 53 5.713 0.514 6.605 385 HA GLU 53 HA GLU 53 8.435 0.597 6.031 386 HB2 GLU 53 HB2 GLU 53 6.979 2.028 8.249 387 HB3 GLU 53 HB1 GLU 53 8.623 2.372 7.761 388 HG2 GLU 53 HG2 GLU 53 7.783 3.064 5.556 389 HG3 GLU 53 HG1 GLU 53 6.134 2.779 6.129 390 H SER 54 HN SER 54 6.768 -0.428 8.945 391 HA SER 54 HA SER 54 9.124 -0.793 10.494 392 HB2 SER 54 HB2 SER 54 6.364 -1.944 10.906 393 HB3 SER 54 HB1 SER 54 7.611 -1.694 12.131 394 HG SER 54 HG SER 54 7.436 0.620 11.280 395 H ARG 55 HN ARG 55 7.292 -2.722 8.280 396 HA ARG 55 HA ARG 55 8.326 -5.233 9.187 397 HB2 ARG 55 HB2 ARG 55 6.104 -5.012 8.107 398 HB3 ARG 55 HB1 ARG 55 6.901 -4.593 6.602 399 HG2 ARG 55 HG2 ARG 55 7.897 -6.798 6.474 400 HG3 ARG 55 HG1 ARG 55 7.219 -7.226 8.045 401 HD2 ARG 55 HD2 ARG 55 5.668 -6.560 5.539 402 HD3 ARG 55 HD1 ARG 55 5.856 -8.159 6.259 403 HE ARG 55 HE ARG 55 4.820 -6.509 8.217 404 HH11 ARG 55 HH11 ARG 55 3.684 -7.829 5.054 405 HH12 ARG 55 HH12 ARG 55 2.063 -7.703 5.508 406 HH21 ARG 55 HH21 ARG 55 2.551 -6.394 8.734 407 HH22 ARG 55 HH22 ARG 55 1.395 -6.903 7.606 408 H TYR 56 HN TYR 56 9.102 -3.019 6.531 409 HA TYR 56 HA TYR 56 11.284 -4.850 5.804 410 HB2 TYR 56 HB2 TYR 56 9.888 -2.787 4.115 411 HB3 TYR 56 HB1 TYR 56 11.323 -3.671 3.593 412 HD1 TYR 56 HD1 TYR 56 7.770 -3.986 4.481 413 HD2 TYR 56 HD2 TYR 56 11.193 -5.968 2.928 414 HE1 TYR 56 HE1 TYR 56 6.364 -5.862 3.790 415 HE2 TYR 56 HE2 TYR 56 9.784 -7.858 2.229 416 HH TYR 56 HH TYR 56 6.307 -7.657 2.426 417 H GLY 57 HN GLY 57 10.883 -1.945 7.392 418 HA2 GLY 57 HA2 GLY 57 12.516 -0.596 8.305 419 HA3 GLY 57 HA1 GLY 57 13.726 -1.527 7.435 420 H VAL 58 HN VAL 58 10.949 0.308 6.270 421 HA VAL 58 HA VAL 58 12.828 1.853 4.659 422 HB VAL 58 HB VAL 58 11.038 2.220 2.964 423 HG11 VAL 58 HG11 VAL 58 11.154 0.004 1.970 424 HG12 VAL 58 HG12 VAL 58 11.710 -0.652 3.510 425 HG13 VAL 58 HG13 VAL 58 12.716 0.503 2.627 426 HG21 VAL 58 HG21 VAL 58 9.541 0.118 4.526 427 HG22 VAL 58 HG22 VAL 58 9.069 0.774 2.954 428 HG23 VAL 58 HG23 VAL 58 9.086 1.817 4.375 429 H SER 59 HN SER 59 11.663 3.936 3.786 430 HA SER 59 HA SER 59 10.275 5.216 5.994 431 HB2 SER 59 HB2 SER 59 11.764 7.256 5.421 432 HB3 SER 59 HB1 SER 59 12.494 5.948 6.351 433 HG SER 59 HG SER 59 13.948 6.010 4.847 434 H ILE 60 HN ILE 60 8.363 5.684 5.163 435 HA ILE 60 HA ILE 60 8.239 6.735 2.409 436 HB ILE 60 HB ILE 60 6.142 5.020 3.786 437 HG12 ILE 60 HG12 ILE 60 7.975 4.333 1.466 438 HG13 ILE 60 HG11 ILE 60 8.177 3.754 3.114 439 HG21 ILE 60 HG21 ILE 60 6.242 6.119 0.969 440 HG22 ILE 60 HG22 ILE 60 5.158 6.649 2.253 441 HG23 ILE 60 HG23 ILE 60 5.015 5.017 1.597 442 HD11 ILE 60 HD11 ILE 60 5.854 3.156 1.296 443 HD12 ILE 60 HD12 ILE 60 6.041 2.576 2.951 444 HD13 ILE 60 HD13 ILE 60 7.175 2.058 1.703 445 HA PRO 61 HA PRO 61 6.532 10.244 4.723 446 HB2 PRO 61 HB2 PRO 61 6.349 11.333 1.970 447 HB3 PRO 61 HB1 PRO 61 7.111 12.029 3.401 448 HG2 PRO 61 HG2 PRO 61 8.579 11.025 1.410 449 HG3 PRO 61 HG1 PRO 61 9.072 10.848 3.106 450 HD2 PRO 61 HD2 PRO 61 7.805 8.847 1.281 451 HD3 PRO 61 HD1 PRO 61 9.085 8.618 2.489 452 H ASP 62 HN ASP 62 4.464 11.038 4.912 453 HA ASP 62 HA ASP 62 2.403 9.271 4.133 454 HB2 ASP 62 HB2 ASP 62 2.258 11.980 5.462 455 HB3 ASP 62 HB1 ASP 62 0.901 10.868 5.296 456 H ASP 63 HN ASP 63 3.477 12.334 2.892 457 HA ASP 63 HA ASP 63 1.251 12.880 1.202 458 HB2 ASP 63 HB2 ASP 63 4.108 13.818 1.147 459 HB3 ASP 63 HB1 ASP 63 2.969 14.283 -0.101 460 H VAL 64 HN VAL 64 3.657 10.584 0.988 461 HA VAL 64 HA VAL 64 3.614 10.276 -1.901 462 HB VAL 64 HB VAL 64 4.706 8.523 0.282 463 HG11 VAL 64 HG11 VAL 64 5.352 8.653 -2.692 464 HG12 VAL 64 HG12 VAL 64 4.463 7.360 -1.889 465 HG13 VAL 64 HG13 VAL 64 6.173 7.608 -1.532 466 HG21 VAL 64 HG21 VAL 64 5.716 10.697 0.392 467 HG22 VAL 64 HG22 VAL 64 6.093 10.650 -1.333 468 HG23 VAL 64 HG23 VAL 64 6.897 9.540 -0.221 469 H ALA 65 HN ALA 65 2.600 8.550 1.004 470 HA ALA 65 HA ALA 65 1.193 6.456 -0.227 471 HB1 ALA 65 HB1 ALA 65 0.118 6.142 1.947 472 HB2 ALA 65 HB2 ALA 65 0.702 7.718 2.469 473 HB3 ALA 65 HB3 ALA 65 1.850 6.420 2.137 474 H GLY 66 HN GLY 66 0.200 9.662 0.825 475 HA2 GLY 66 HA2 GLY 66 -2.531 9.308 -0.039 476 HA3 GLY 66 HA1 GLY 66 -1.800 10.796 0.552 477 H ARG 67 HN ARG 67 -1.243 8.644 -2.102 478 HA ARG 67 HA ARG 67 -1.757 10.715 -4.107 479 HB2 ARG 67 HB2 ARG 67 0.656 10.982 -3.466 480 HB3 ARG 67 HB1 ARG 67 0.928 9.329 -3.991 481 HG2 ARG 67 HG2 ARG 67 -0.040 10.124 -6.246 482 HG3 ARG 67 HG1 ARG 67 0.286 11.748 -5.630 483 HD2 ARG 67 HD2 ARG 67 2.193 11.117 -6.870 484 HD3 ARG 67 HD1 ARG 67 2.640 10.960 -5.170 485 HE ARG 67 HE ARG 67 1.714 8.640 -6.699 486 HH11 ARG 67 HH11 ARG 67 4.197 10.164 -4.692 487 HH12 ARG 67 HH12 ARG 67 5.313 8.886 -4.812 488 HH21 ARG 67 HH21 ARG 67 3.292 6.786 -6.838 489 HH22 ARG 67 HH22 ARG 67 4.761 6.943 -6.022 490 H VAL 68 HN VAL 68 -0.798 7.475 -3.207 491 HA VAL 68 HA VAL 68 -0.994 6.302 -5.749 492 HB VAL 68 HB VAL 68 -0.797 4.163 -4.603 493 HG11 VAL 68 HG11 VAL 68 1.232 4.491 -3.344 494 HG12 VAL 68 HG12 VAL 68 0.818 6.180 -3.088 495 HG13 VAL 68 HG13 VAL 68 1.203 5.623 -4.707 496 HG21 VAL 68 HG21 VAL 68 -0.858 3.929 -2.163 497 HG22 VAL 68 HG22 VAL 68 -2.415 4.490 -2.774 498 HG23 VAL 68 HG23 VAL 68 -1.304 5.626 -2.005 499 H ASP 69 HN ASP 69 -2.771 5.981 -6.921 500 HA ASP 69 HA ASP 69 -5.329 6.082 -5.494 501 HB2 ASP 69 HB2 ASP 69 -4.651 7.465 -7.657 502 HB3 ASP 69 HB1 ASP 69 -5.181 5.998 -8.461 503 H THR 70 HN THR 70 -3.209 3.947 -6.991 504 HA THR 70 HA THR 70 -5.228 1.819 -6.939 505 HB THR 70 HB THR 70 -4.026 0.722 -8.758 506 HG1 THR 70 HG1 THR 70 -2.372 2.528 -9.716 507 HG21 THR 70 HG21 THR 70 -5.752 2.267 -9.488 508 HG22 THR 70 HG22 THR 70 -4.398 2.346 -10.619 509 HG23 THR 70 HG23 THR 70 -4.620 3.615 -9.411 510 HA PRO 71 HA PRO 71 -2.197 -0.103 -4.196 511 HB2 PRO 71 HB2 PRO 71 -3.074 -2.694 -5.341 512 HB3 PRO 71 HB1 PRO 71 -3.133 -2.139 -3.662 513 HG2 PRO 71 HG2 PRO 71 -5.368 -2.348 -5.092 514 HG3 PRO 71 HG1 PRO 71 -5.129 -0.996 -3.965 515 HD2 PRO 71 HD2 PRO 71 -4.809 -1.052 -6.949 516 HD3 PRO 71 HD1 PRO 71 -5.607 0.166 -5.930 517 H ARG 72 HN ARG 72 -2.420 -0.492 -7.538 518 HA ARG 72 HA ARG 72 -0.149 -2.096 -8.148 519 HB2 ARG 72 HB2 ARG 72 -2.141 -1.325 -9.626 520 HB3 ARG 72 HB1 ARG 72 -1.214 0.145 -9.857 521 HG2 ARG 72 HG2 ARG 72 0.634 -1.251 -10.767 522 HG3 ARG 72 HG1 ARG 72 -0.444 -2.649 -10.654 523 HD2 ARG 72 HD2 ARG 72 -0.725 -0.202 -12.379 524 HD3 ARG 72 HD1 ARG 72 -0.625 -1.885 -12.884 525 HE ARG 72 HE ARG 72 -2.946 -0.846 -11.383 526 HH11 ARG 72 HH11 ARG 72 -1.712 -2.872 -14.024 527 HH12 ARG 72 HH12 ARG 72 -3.228 -2.978 -14.797 528 HH21 ARG 72 HH21 ARG 72 -5.030 -1.048 -12.452 529 HH22 ARG 72 HH22 ARG 72 -5.138 -1.974 -13.872 530 H GLU 73 HN GLU 73 -0.765 1.394 -8.031 531 HA GLU 73 HA GLU 73 1.843 2.358 -8.396 532 HB2 GLU 73 HB2 GLU 73 -0.139 3.750 -8.612 533 HB3 GLU 73 HB1 GLU 73 -0.546 3.476 -6.929 534 HG2 GLU 73 HG2 GLU 73 0.345 5.645 -7.013 535 HG3 GLU 73 HG1 GLU 73 1.605 4.605 -6.356 536 H LEU 74 HN LEU 74 -0.046 1.607 -5.497 537 HA LEU 74 HA LEU 74 1.763 2.440 -3.525 538 HB2 LEU 74 HB2 LEU 74 -0.735 1.664 -3.407 539 HB3 LEU 74 HB1 LEU 74 -0.074 0.066 -3.181 540 HG LEU 74 HG LEU 74 0.361 2.421 -1.323 541 HD11 LEU 74 HD11 LEU 74 -1.432 0.022 -1.050 542 HD12 LEU 74 HD12 LEU 74 -1.941 1.689 -1.311 543 HD13 LEU 74 HD13 LEU 74 -1.142 1.238 0.195 544 HD21 LEU 74 HD21 LEU 74 1.235 0.770 0.256 545 HD22 LEU 74 HD22 LEU 74 2.203 0.796 -1.220 546 HD23 LEU 74 HD23 LEU 74 1.036 -0.498 -0.952 547 H LEU 75 HN LEU 75 1.361 -0.714 -5.091 548 HA LEU 75 HA LEU 75 3.344 -2.207 -3.810 549 HB2 LEU 75 HB2 LEU 75 1.656 -3.129 -5.338 550 HB3 LEU 75 HB1 LEU 75 2.404 -2.296 -6.680 551 HG LEU 75 HG LEU 75 4.453 -3.698 -6.298 552 HD11 LEU 75 HD11 LEU 75 2.622 -5.210 -4.453 553 HD12 LEU 75 HD12 LEU 75 4.063 -4.306 -3.990 554 HD13 LEU 75 HD13 LEU 75 4.212 -5.744 -5.000 555 HD21 LEU 75 HD21 LEU 75 2.855 -4.220 -8.059 556 HD22 LEU 75 HD22 LEU 75 1.887 -5.152 -6.917 557 HD23 LEU 75 HD23 LEU 75 3.506 -5.696 -7.348 558 H ASP 76 HN ASP 76 3.458 -0.267 -6.746 559 HA ASP 76 HA ASP 76 6.136 -0.738 -7.467 560 HB2 ASP 76 HB2 ASP 76 4.410 0.122 -9.007 561 HB3 ASP 76 HB1 ASP 76 4.409 1.649 -8.127 562 H LEU 77 HN LEU 77 4.610 1.793 -5.613 563 HA LEU 77 HA LEU 77 6.610 3.619 -5.129 564 HB2 LEU 77 HB2 LEU 77 4.192 3.655 -4.411 565 HB3 LEU 77 HB1 LEU 77 4.600 2.546 -3.137 566 HG LEU 77 HG LEU 77 5.501 5.434 -3.368 567 HD11 LEU 77 HD11 LEU 77 3.150 5.181 -2.875 568 HD12 LEU 77 HD12 LEU 77 4.023 5.778 -1.464 569 HD13 LEU 77 HD13 LEU 77 3.525 4.088 -1.544 570 HD21 LEU 77 HD21 LEU 77 5.921 3.492 -1.074 571 HD22 LEU 77 HD22 LEU 77 6.348 5.204 -1.075 572 HD23 LEU 77 HD23 LEU 77 7.190 4.085 -2.146 573 H ILE 78 HN ILE 78 5.740 0.857 -3.113 574 HA ILE 78 HA ILE 78 7.955 1.112 -1.391 575 HB ILE 78 HB ILE 78 6.136 -1.288 -1.769 576 HG12 ILE 78 HG12 ILE 78 5.944 1.068 0.121 577 HG13 ILE 78 HG11 ILE 78 4.915 0.790 -1.279 578 HG21 ILE 78 HG21 ILE 78 6.808 -1.845 0.536 579 HG22 ILE 78 HG22 ILE 78 7.891 -0.455 0.557 580 HG23 ILE 78 HG23 ILE 78 8.208 -1.801 -0.537 581 HD11 ILE 78 HD11 ILE 78 4.053 -1.239 -0.230 582 HD12 ILE 78 HD12 ILE 78 3.792 0.188 0.772 583 HD13 ILE 78 HD13 ILE 78 5.085 -0.943 1.171 584 H ASN 79 HN ASN 79 7.268 -1.034 -4.125 585 HA ASN 79 HA ASN 79 9.585 -2.629 -3.933 586 HB2 ASN 79 HB2 ASN 79 7.818 -1.926 -6.267 587 HB3 ASN 79 HB1 ASN 79 9.284 -2.861 -6.516 588 HD21 ASN 79 HD21 ASN 79 7.322 -3.223 -3.618 589 HD22 ASN 79 HD22 ASN 79 6.727 -4.797 -4.021 590 H GLY 80 HN GLY 80 9.082 0.452 -5.601 591 HA2 GLY 80 HA2 GLY 80 11.663 0.618 -6.727 592 HA3 GLY 80 HA1 GLY 80 10.561 1.960 -6.447 593 H ALA 81 HN ALA 81 10.340 1.601 -3.628 594 HA ALA 81 HA ALA 81 12.630 3.065 -2.790 595 HB1 ALA 81 HB1 ALA 81 10.458 1.803 -1.108 596 HB2 ALA 81 HB2 ALA 81 10.411 3.427 -1.799 597 HB3 ALA 81 HB3 ALA 81 11.609 3.027 -0.568 598 H LEU 82 HN LEU 82 11.429 -0.161 -2.093 599 HA LEU 82 HA LEU 82 13.274 -1.114 -0.297 600 HB2 LEU 82 HB2 LEU 82 11.782 -2.533 -2.471 601 HB3 LEU 82 HB1 LEU 82 12.754 -3.376 -1.280 602 HG LEU 82 HG LEU 82 10.442 -1.580 -0.574 603 HD11 LEU 82 HD11 LEU 82 9.192 -3.640 -0.183 604 HD12 LEU 82 HD12 LEU 82 10.545 -4.584 -0.812 605 HD13 LEU 82 HD13 LEU 82 9.659 -3.488 -1.877 606 HD21 LEU 82 HD21 LEU 82 12.136 -1.856 1.133 607 HD22 LEU 82 HD22 LEU 82 12.011 -3.612 0.990 608 HD23 LEU 82 HD23 LEU 82 10.640 -2.673 1.591 609 H ALA 83 HN ALA 83 13.578 -0.927 -3.763 610 HA ALA 83 HA ALA 83 15.747 -2.586 -4.190 611 HB1 ALA 83 HB1 ALA 83 14.419 -1.585 -5.973 612 HB2 ALA 83 HB2 ALA 83 16.146 -1.313 -6.216 613 HB3 ALA 83 HB3 ALA 83 15.124 -0.009 -5.611 614 H GLU 84 HN GLU 84 15.713 0.787 -3.133 615 HA GLU 84 HA GLU 84 18.646 0.682 -2.910 616 HB2 GLU 84 HB2 GLU 84 16.844 3.061 -3.368 617 HB3 GLU 84 HB1 GLU 84 18.574 3.159 -3.074 618 HG2 GLU 84 HG2 GLU 84 17.255 1.797 -5.413 619 HG3 GLU 84 HG1 GLU 84 18.044 3.371 -5.440 620 H ALA 85 HN ALA 85 16.299 0.045 -1.048 621 HA ALA 85 HA ALA 85 17.249 1.664 1.214 622 HB1 ALA 85 HB1 ALA 85 14.514 0.433 0.830 623 HB2 ALA 85 HB2 ALA 85 14.899 2.147 0.675 624 HB3 ALA 85 HB3 ALA 85 15.052 1.346 2.241 625 H ALA 86 HN ALA 86 16.670 0.400 3.301 626 HA ALA 86 HA ALA 86 17.203 -1.260 4.706 627 HB1 ALA 86 HB1 ALA 86 15.128 -2.203 3.775 628 HB2 ALA 86 HB2 ALA 86 16.271 -3.470 4.226 629 HB3 ALA 86 HB3 ALA 86 16.070 -3.027 2.530 630 H28 SXV 87 H28A SXV 87 -4.503 14.392 0.222 631 H28A SXV 87 H28B SXV 87 -4.783 14.871 1.888 632 H30 SXV 87 H30C SXV 87 -2.637 13.834 3.370 633 H30A SXV 87 H30A SXV 87 -3.081 15.539 3.292 634 H30B SXV 87 H30B SXV 87 -1.403 15.050 3.047 635 H31 SXV 87 H31C SXV 87 -0.743 13.908 0.892 636 H31A SXV 87 H31A SXV 87 -2.020 13.362 -0.196 637 H31B SXV 87 H31B SXV 87 -1.872 12.664 1.417 638 H32 SXV 87 H32A SXV 87 -1.357 16.237 0.676 639 HO33 SXV 87 H33A SXV 87 -3.965 17.141 1.084 640 HN36 SXV 87 H36A SXV 87 -1.540 14.903 -1.433 641 H37 SXV 87 H37B SXV 87 -3.618 15.976 -3.236 642 H37A SXV 87 H37A SXV 87 -3.002 14.314 -3.284 643 H38 SXV 87 H38B SXV 87 -1.911 15.331 -5.003 644 H38A SXV 87 H38A SXV 87 -0.710 15.223 -3.765 645 HN41 SXV 87 H41A SXV 87 0.145 16.884 -5.386 646 H42 SXV 87 H42B SXV 87 0.982 19.110 -5.044 647 H42A SXV 87 H42A SXV 87 -0.680 19.584 -4.634 648 H43 SXV 87 H43B SXV 87 0.314 18.793 -7.371 649 H43A SXV 87 H43A SXV 87 -1.385 19.011 -6.910 650 H1 SXV 87 H1B SXV 87 -2.390 21.190 -5.951 651 H1A SXV 87 H1A SXV 87 -1.076 21.365 -4.774 652 H2 SXV 87 H2A SXV 87 -1.955 23.492 -6.663 653 H2A SXV 87 H2B SXV 87 -0.615 23.598 -5.520 654 H4 SXV 87 H4C SXV 87 -3.474 25.268 -5.569 655 H4A SXV 87 H4A SXV 87 -4.356 24.631 -4.176 656 H4B SXV 87 H4B SXV 87 -4.368 23.750 -5.710 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 18.665 -8.939 -5.091 2 H2 MET 1 HT2 MET 1 18.667 -9.348 -3.471 3 H3 MET 1 HT3 MET 1 20.080 -9.537 -4.368 4 HA MET 1 HA MET 1 20.281 -7.651 -2.960 5 HB2 MET 1 HB2 MET 1 19.749 -6.800 -5.814 6 HB3 MET 1 HB1 MET 1 20.589 -5.829 -4.620 7 HG2 MET 1 HG2 MET 1 21.507 -8.462 -5.751 8 HG3 MET 1 HG1 MET 1 22.133 -6.870 -6.165 9 HE1 MET 1 HE1 MET 1 24.111 -9.119 -5.424 10 HE2 MET 1 HE2 MET 1 25.171 -8.317 -4.268 11 HE3 MET 1 HE3 MET 1 24.610 -7.451 -5.698 12 H ALA 2 HN ALA 2 17.207 -7.845 -4.645 13 HA ALA 2 HA ALA 2 16.224 -5.782 -2.852 14 HB1 ALA 2 HB1 ALA 2 14.830 -4.914 -4.658 15 HB2 ALA 2 HB2 ALA 2 15.567 -6.052 -5.784 16 HB3 ALA 2 HB3 ALA 2 16.543 -4.774 -5.060 17 H THR 3 HN THR 3 15.165 -7.194 -1.513 18 HA THR 3 HA THR 3 13.506 -9.299 -2.512 19 HB THR 3 HB THR 3 12.713 -8.996 -0.002 20 HG1 THR 3 HG1 THR 3 13.704 -7.033 0.303 21 HG21 THR 3 HG21 THR 3 14.620 -10.375 0.737 22 HG22 THR 3 HG22 THR 3 15.492 -9.947 -0.735 23 HG23 THR 3 HG23 THR 3 14.016 -10.909 -0.832 24 H LEU 4 HN LEU 4 11.734 -8.658 -3.664 25 HA LEU 4 HA LEU 4 10.403 -6.179 -2.900 26 HB2 LEU 4 HB2 LEU 4 10.076 -7.831 -5.403 27 HB3 LEU 4 HB1 LEU 4 9.469 -6.215 -5.115 28 HG LEU 4 HG LEU 4 12.376 -6.974 -5.395 29 HD11 LEU 4 HD11 LEU 4 12.268 -5.751 -7.500 30 HD12 LEU 4 HD12 LEU 4 10.534 -5.517 -7.270 31 HD13 LEU 4 HD13 LEU 4 11.182 -7.140 -7.492 32 HD21 LEU 4 HD21 LEU 4 12.077 -5.077 -3.900 33 HD22 LEU 4 HD22 LEU 4 11.081 -4.268 -5.107 34 HD23 LEU 4 HD23 LEU 4 12.790 -4.566 -5.427 35 H LEU 5 HN LEU 5 8.547 -6.354 -1.892 36 HA LEU 5 HA LEU 5 7.482 -8.864 -1.248 37 HB2 LEU 5 HB2 LEU 5 5.630 -7.576 -0.157 38 HB3 LEU 5 HB1 LEU 5 7.239 -7.204 0.393 39 HG LEU 5 HG LEU 5 7.124 -5.119 -1.061 40 HD11 LEU 5 HD11 LEU 5 4.194 -5.805 -1.126 41 HD12 LEU 5 HD12 LEU 5 5.287 -5.767 -2.512 42 HD13 LEU 5 HD13 LEU 5 4.920 -4.281 -1.640 43 HD21 LEU 5 HD21 LEU 5 5.807 -3.895 0.584 44 HD22 LEU 5 HD22 LEU 5 6.893 -5.062 1.342 45 HD23 LEU 5 HD23 LEU 5 5.173 -5.418 1.205 46 H THR 6 HN THR 6 5.398 -9.714 -1.661 47 HA THR 6 HA THR 6 4.741 -9.344 -4.469 48 HB THR 6 HB THR 6 3.528 -11.487 -4.263 49 HG1 THR 6 HG1 THR 6 4.313 -11.280 -1.512 50 HG21 THR 6 HG21 THR 6 5.896 -11.542 -4.884 51 HG22 THR 6 HG22 THR 6 5.474 -12.953 -3.915 52 HG23 THR 6 HG23 THR 6 6.350 -11.605 -3.180 53 H THR 7 HN THR 7 2.159 -10.190 -4.631 54 HA THR 7 HA THR 7 0.814 -7.975 -3.526 55 HB THR 7 HB THR 7 -1.241 -9.091 -4.587 56 HG1 THR 7 HG1 THR 7 -0.467 -11.175 -4.898 57 HG21 THR 7 HG21 THR 7 1.136 -8.195 -6.218 58 HG22 THR 7 HG22 THR 7 -0.137 -7.168 -5.544 59 HG23 THR 7 HG23 THR 7 -0.513 -8.324 -6.825 60 H ASP 8 HN ASP 8 1.455 -11.033 -2.353 61 HA ASP 8 HA ASP 8 -0.849 -11.258 -0.640 62 HB2 ASP 8 HB2 ASP 8 1.865 -12.574 -0.602 63 HB3 ASP 8 HB1 ASP 8 0.703 -12.814 0.696 64 H ASP 9 HN ASP 9 2.364 -10.005 -0.423 65 HA ASP 9 HA ASP 9 2.287 -9.305 2.319 66 HB2 ASP 9 HB2 ASP 9 3.958 -8.070 0.120 67 HB3 ASP 9 HB1 ASP 9 4.277 -8.006 1.847 68 H LEU 10 HN LEU 10 1.670 -7.587 -0.700 69 HA LEU 10 HA LEU 10 0.981 -5.115 0.501 70 HB2 LEU 10 HB2 LEU 10 1.586 -5.309 -1.873 71 HB3 LEU 10 HB1 LEU 10 0.127 -6.241 -2.169 72 HG LEU 10 HG LEU 10 -1.232 -4.274 -1.551 73 HD11 LEU 10 HD11 LEU 10 0.333 -3.182 -0.060 74 HD12 LEU 10 HD12 LEU 10 -0.174 -2.089 -1.347 75 HD13 LEU 10 HD13 LEU 10 1.415 -2.852 -1.412 76 HD21 LEU 10 HD21 LEU 10 0.797 -3.767 -3.716 77 HD22 LEU 10 HD22 LEU 10 -0.767 -2.966 -3.558 78 HD23 LEU 10 HD23 LEU 10 -0.692 -4.697 -3.883 79 H ARG 11 HN ARG 11 -0.915 -7.952 -0.445 80 HA ARG 11 HA ARG 11 -3.471 -7.006 0.105 81 HB2 ARG 11 HB2 ARG 11 -2.971 -9.203 -0.958 82 HB3 ARG 11 HB1 ARG 11 -2.405 -9.797 0.595 83 HG2 ARG 11 HG2 ARG 11 -4.655 -9.413 1.516 84 HG3 ARG 11 HG1 ARG 11 -5.195 -8.925 -0.090 85 HD2 ARG 11 HD2 ARG 11 -4.591 -11.135 -0.958 86 HD3 ARG 11 HD1 ARG 11 -4.064 -11.618 0.661 87 HE ARG 11 HE ARG 11 -6.792 -10.752 0.089 88 HH11 ARG 11 HH11 ARG 11 -4.616 -13.339 1.162 89 HH12 ARG 11 HH12 ARG 11 -5.818 -14.166 2.045 90 HH21 ARG 11 HH21 ARG 11 -8.454 -11.931 1.337 91 HH22 ARG 11 HH22 ARG 11 -8.012 -13.346 2.169 92 H ARG 12 HN ARG 12 -1.091 -8.592 2.211 93 HA ARG 12 HA ARG 12 -2.488 -8.543 4.604 94 HB2 ARG 12 HB2 ARG 12 0.435 -8.269 4.047 95 HB3 ARG 12 HB1 ARG 12 -0.198 -8.099 5.672 96 HG2 ARG 12 HG2 ARG 12 -1.176 -10.408 5.395 97 HG3 ARG 12 HG1 ARG 12 -0.268 -10.522 3.885 98 HD2 ARG 12 HD2 ARG 12 0.969 -11.571 5.706 99 HD3 ARG 12 HD1 ARG 12 1.824 -10.150 5.112 100 HE ARG 12 HE ARG 12 0.599 -9.031 7.166 101 HH11 ARG 12 HH11 ARG 12 2.160 -12.218 7.120 102 HH12 ARG 12 HH12 ARG 12 2.378 -12.271 8.807 103 HH21 ARG 12 HH21 ARG 12 0.959 -9.039 9.376 104 HH22 ARG 12 HH22 ARG 12 1.687 -10.364 10.154 105 H ALA 13 HN ALA 13 -0.319 -6.091 3.308 106 HA ALA 13 HA ALA 13 -0.428 -4.240 5.331 107 HB1 ALA 13 HB1 ALA 13 -0.307 -3.651 2.387 108 HB2 ALA 13 HB2 ALA 13 1.061 -4.088 3.414 109 HB3 ALA 13 HB3 ALA 13 0.196 -2.577 3.692 110 H LEU 14 HN LEU 14 -2.590 -4.437 2.547 111 HA LEU 14 HA LEU 14 -4.142 -2.240 3.451 112 HB2 LEU 14 HB2 LEU 14 -4.520 -4.192 1.208 113 HB3 LEU 14 HB1 LEU 14 -5.729 -2.979 1.587 114 HG LEU 14 HG LEU 14 -2.856 -2.266 0.960 115 HD11 LEU 14 HD11 LEU 14 -5.235 -2.261 -0.896 116 HD12 LEU 14 HD12 LEU 14 -3.859 -3.364 -0.987 117 HD13 LEU 14 HD13 LEU 14 -3.625 -1.636 -1.255 118 HD21 LEU 14 HD21 LEU 14 -3.805 -0.052 0.585 119 HD22 LEU 14 HD22 LEU 14 -4.110 -0.616 2.228 120 HD23 LEU 14 HD23 LEU 14 -5.402 -0.658 1.027 121 H VAL 15 HN VAL 15 -4.261 -5.552 4.250 122 HA VAL 15 HA VAL 15 -6.956 -5.283 5.310 123 HB VAL 15 HB VAL 15 -4.955 -7.568 5.611 124 HG11 VAL 15 HG11 VAL 15 -6.834 -8.881 6.492 125 HG12 VAL 15 HG12 VAL 15 -7.865 -7.450 6.425 126 HG13 VAL 15 HG13 VAL 15 -6.484 -7.492 7.522 127 HG21 VAL 15 HG21 VAL 15 -7.453 -7.338 3.931 128 HG22 VAL 15 HG22 VAL 15 -6.447 -8.778 4.082 129 HG23 VAL 15 HG23 VAL 15 -5.795 -7.321 3.334 130 H GLU 16 HN GLU 16 -3.639 -5.322 6.418 131 HA GLU 16 HA GLU 16 -4.245 -5.253 9.165 132 HB2 GLU 16 HB2 GLU 16 -1.603 -4.590 7.792 133 HB3 GLU 16 HB1 GLU 16 -1.846 -4.791 9.519 134 HG2 GLU 16 HG2 GLU 16 -2.669 -7.094 9.141 135 HG3 GLU 16 HG1 GLU 16 -2.297 -6.914 7.434 136 H SER 17 HN SER 17 -3.695 -2.643 6.821 137 HA SER 17 HA SER 17 -3.740 -0.652 8.849 138 HB2 SER 17 HB2 SER 17 -4.153 0.895 6.883 139 HB3 SER 17 HB1 SER 17 -2.676 -0.065 6.816 140 HG SER 17 HG SER 17 -5.132 -0.586 5.456 141 H ALA 18 HN ALA 18 -6.108 -2.593 7.523 142 HA ALA 18 HA ALA 18 -8.269 -0.744 8.105 143 HB1 ALA 18 HB1 ALA 18 -9.718 -2.567 7.295 144 HB2 ALA 18 HB2 ALA 18 -8.304 -3.611 7.132 145 HB3 ALA 18 HB3 ALA 18 -8.462 -2.175 6.121 146 H GLY 19 HN GLY 19 -6.291 -2.982 9.619 147 HA2 GLY 19 HA2 GLY 19 -6.274 -4.028 11.656 148 HA3 GLY 19 HA1 GLY 19 -7.545 -2.902 12.135 149 H GLU 20 HN GLU 20 -7.693 -5.108 9.474 150 HA GLU 20 HA GLU 20 -9.113 -6.646 8.825 151 HB2 GLU 20 HB2 GLU 20 -9.331 -7.280 11.765 152 HB3 GLU 20 HB1 GLU 20 -10.199 -8.187 10.536 153 HG2 GLU 20 HG2 GLU 20 -8.020 -8.686 9.456 154 HG3 GLU 20 HG1 GLU 20 -7.224 -7.910 10.826 155 H THR 21 HN THR 21 -10.904 -6.443 7.922 156 HA THR 21 HA THR 21 -13.195 -5.275 9.264 157 HB THR 21 HB THR 21 -12.104 -4.200 6.631 158 HG1 THR 21 HG1 THR 21 -11.359 -3.629 9.108 159 HG21 THR 21 HG21 THR 21 -13.822 -2.450 6.914 160 HG22 THR 21 HG22 THR 21 -14.365 -3.231 8.400 161 HG23 THR 21 HG23 THR 21 -14.549 -4.056 6.850 162 H ASP 22 HN ASP 22 -14.029 -7.383 9.050 163 HA ASP 22 HA ASP 22 -13.970 -8.937 6.726 164 HB2 ASP 22 HB2 ASP 22 -15.838 -10.250 7.596 165 HB3 ASP 22 HB1 ASP 22 -14.744 -9.869 8.910 166 H GLY 23 HN GLY 23 -15.076 -9.011 4.905 167 HA2 GLY 23 HA2 GLY 23 -16.987 -8.376 3.570 168 HA3 GLY 23 HA1 GLY 23 -17.089 -6.896 4.523 169 H THR 24 HN THR 24 -14.092 -6.674 4.455 170 HA THR 24 HA THR 24 -13.876 -5.732 1.701 171 HB THR 24 HB THR 24 -12.316 -4.793 4.141 172 HG1 THR 24 HG1 THR 24 -14.652 -3.850 2.840 173 HG21 THR 24 HG21 THR 24 -11.114 -4.495 2.003 174 HG22 THR 24 HG22 THR 24 -11.611 -2.940 2.674 175 HG23 THR 24 HG23 THR 24 -12.513 -3.652 1.337 176 H ASP 25 HN ASP 25 -13.290 -7.905 1.057 177 HA ASP 25 HA ASP 25 -10.628 -8.736 1.916 178 HB2 ASP 25 HB2 ASP 25 -12.278 -10.553 1.880 179 HB3 ASP 25 HB1 ASP 25 -12.715 -10.163 0.224 180 H LEU 26 HN LEU 26 -9.128 -9.296 0.128 181 HA LEU 26 HA LEU 26 -9.444 -7.432 -2.057 182 HB2 LEU 26 HB2 LEU 26 -8.269 -6.506 0.029 183 HB3 LEU 26 HB1 LEU 26 -6.982 -7.623 -0.361 184 HG LEU 26 HG LEU 26 -6.653 -6.520 -2.484 185 HD11 LEU 26 HD11 LEU 26 -8.778 -4.605 -1.480 186 HD12 LEU 26 HD12 LEU 26 -8.961 -5.714 -2.837 187 HD13 LEU 26 HD13 LEU 26 -7.806 -4.383 -2.935 188 HD21 LEU 26 HD21 LEU 26 -6.692 -4.683 -0.111 189 HD22 LEU 26 HD22 LEU 26 -5.730 -4.468 -1.578 190 HD23 LEU 26 HD23 LEU 26 -5.424 -5.843 -0.512 191 H SER 27 HN SER 27 -9.534 -8.948 -3.449 192 HA SER 27 HA SER 27 -7.857 -11.348 -3.270 193 HB2 SER 27 HB2 SER 27 -10.266 -10.853 -4.988 194 HB3 SER 27 HB1 SER 27 -9.461 -12.396 -4.699 195 HG SER 27 HG SER 27 -9.904 -11.912 -2.392 196 H GLY 28 HN GLY 28 -6.103 -11.483 -4.412 197 HA2 GLY 28 HA2 GLY 28 -4.559 -11.477 -6.112 198 HA3 GLY 28 HA1 GLY 28 -5.933 -11.960 -7.065 199 H ASP 29 HN ASP 29 -7.027 -10.335 -8.270 200 HA ASP 29 HA ASP 29 -5.147 -8.363 -9.272 201 HB2 ASP 29 HB2 ASP 29 -6.240 -9.812 -10.925 202 HB3 ASP 29 HB1 ASP 29 -7.819 -9.257 -10.388 203 H PHE 30 HN PHE 30 -5.246 -6.990 -7.554 204 HA PHE 30 HA PHE 30 -7.644 -5.277 -7.519 205 HB2 PHE 30 HB2 PHE 30 -7.258 -4.909 -5.093 206 HB3 PHE 30 HB1 PHE 30 -7.657 -6.574 -5.484 207 HD1 PHE 30 HD1 PHE 30 -4.865 -4.312 -4.538 208 HD2 PHE 30 HD2 PHE 30 -6.183 -8.337 -4.924 209 HE1 PHE 30 HE1 PHE 30 -2.882 -5.080 -3.298 210 HE2 PHE 30 HE2 PHE 30 -4.199 -9.106 -3.690 211 HZ PHE 30 HZ PHE 30 -2.551 -7.476 -2.873 212 H LEU 31 HN LEU 31 -4.767 -5.238 -8.703 213 HA LEU 31 HA LEU 31 -3.531 -3.098 -7.213 214 HB2 LEU 31 HB2 LEU 31 -2.659 -4.413 -9.776 215 HB3 LEU 31 HB1 LEU 31 -1.739 -3.229 -8.887 216 HG LEU 31 HG LEU 31 -0.760 -5.284 -8.448 217 HD11 LEU 31 HD11 LEU 31 -0.912 -3.925 -6.510 218 HD12 LEU 31 HD12 LEU 31 -1.033 -5.626 -6.059 219 HD13 LEU 31 HD13 LEU 31 -2.480 -4.615 -6.098 220 HD21 LEU 31 HD21 LEU 31 -3.483 -6.411 -7.796 221 HD22 LEU 31 HD22 LEU 31 -1.959 -7.270 -7.595 222 HD23 LEU 31 HD23 LEU 31 -2.496 -6.795 -9.206 223 H ASP 32 HN ASP 32 -5.400 -3.425 -10.076 224 HA ASP 32 HA ASP 32 -4.665 -0.685 -10.799 225 HB2 ASP 32 HB2 ASP 32 -5.826 -2.873 -12.523 226 HB3 ASP 32 HB1 ASP 32 -5.528 -1.226 -13.074 227 H LEU 33 HN LEU 33 -6.781 -1.633 -8.846 228 HA LEU 33 HA LEU 33 -9.005 -0.196 -10.069 229 HB2 LEU 33 HB2 LEU 33 -10.400 -1.088 -8.166 230 HB3 LEU 33 HB1 LEU 33 -9.804 -2.292 -9.273 231 HG LEU 33 HG LEU 33 -8.021 -2.838 -7.546 232 HD11 LEU 33 HD11 LEU 33 -9.767 -1.176 -5.740 233 HD12 LEU 33 HD12 LEU 33 -8.106 -0.816 -6.209 234 HD13 LEU 33 HD13 LEU 33 -8.456 -2.239 -5.226 235 HD21 LEU 33 HD21 LEU 33 -10.909 -3.250 -6.801 236 HD22 LEU 33 HD22 LEU 33 -9.544 -4.185 -6.190 237 HD23 LEU 33 HD23 LEU 33 -9.959 -4.244 -7.902 238 H ARG 34 HN ARG 34 -10.276 1.207 -8.366 239 HA ARG 34 HA ARG 34 -8.247 3.036 -7.303 240 HB2 ARG 34 HB2 ARG 34 -11.241 3.444 -7.323 241 HB3 ARG 34 HB1 ARG 34 -9.994 4.668 -7.192 242 HG2 ARG 34 HG2 ARG 34 -10.568 3.013 -9.636 243 HG3 ARG 34 HG1 ARG 34 -11.123 4.658 -9.364 244 HD2 ARG 34 HD2 ARG 34 -8.896 5.499 -9.451 245 HD3 ARG 34 HD1 ARG 34 -8.196 3.875 -9.457 246 HE ARG 34 HE ARG 34 -9.720 3.706 -11.582 247 HH11 ARG 34 HH11 ARG 34 -7.557 6.414 -10.762 248 HH12 ARG 34 HH12 ARG 34 -7.409 6.945 -12.358 249 HH21 ARG 34 HH21 ARG 34 -9.464 4.433 -13.758 250 HH22 ARG 34 HH22 ARG 34 -8.479 5.787 -14.112 251 H PHE 35 HN PHE 35 -8.475 3.827 -5.092 252 HA PHE 35 HA PHE 35 -9.117 1.683 -3.302 253 HB2 PHE 35 HB2 PHE 35 -8.219 4.510 -2.735 254 HB3 PHE 35 HB1 PHE 35 -8.391 3.251 -1.520 255 HD1 PHE 35 HD2 PHE 35 -6.824 1.419 -1.405 256 HD2 PHE 35 HD1 PHE 35 -6.429 4.481 -4.317 257 HE1 PHE 35 HE2 PHE 35 -4.519 0.689 -1.858 258 HE2 PHE 35 HE1 PHE 35 -4.164 3.768 -4.795 259 HZ PHE 35 HZ PHE 35 -3.176 1.859 -3.551 260 H GLU 36 HN GLU 36 -10.730 4.367 -4.554 261 HA GLU 36 HA GLU 36 -12.684 4.885 -2.622 262 HB2 GLU 36 HB2 GLU 36 -12.895 4.952 -5.635 263 HB3 GLU 36 HB1 GLU 36 -14.093 5.622 -4.540 264 HG2 GLU 36 HG2 GLU 36 -11.224 6.500 -4.697 265 HG3 GLU 36 HG1 GLU 36 -12.584 7.312 -5.476 266 H ASP 37 HN ASP 37 -12.416 2.343 -5.014 267 HA ASP 37 HA ASP 37 -15.047 1.325 -4.804 268 HB2 ASP 37 HB2 ASP 37 -13.638 0.767 -6.716 269 HB3 ASP 37 HB1 ASP 37 -12.497 -0.062 -5.662 270 H ILE 38 HN ILE 38 -12.082 0.646 -3.071 271 HA ILE 38 HA ILE 38 -13.487 -1.354 -1.488 272 HB ILE 38 HB ILE 38 -11.274 -1.925 -0.492 273 HG12 ILE 38 HG12 ILE 38 -10.196 0.020 -2.563 274 HG13 ILE 38 HG11 ILE 38 -10.164 0.264 -0.824 275 HG21 ILE 38 HG21 ILE 38 -12.155 -3.177 -2.355 276 HG22 ILE 38 HG22 ILE 38 -10.398 -3.027 -2.510 277 HG23 ILE 38 HG23 ILE 38 -11.468 -2.012 -3.486 278 HD11 ILE 38 HD11 ILE 38 -7.988 -0.436 -1.666 279 HD12 ILE 38 HD12 ILE 38 -8.705 -1.904 -2.328 280 HD13 ILE 38 HD13 ILE 38 -8.666 -1.652 -0.584 281 H GLY 39 HN GLY 39 -13.417 1.726 -1.364 282 HA2 GLY 39 HA2 GLY 39 -13.931 3.286 0.254 283 HA3 GLY 39 HA1 GLY 39 -14.251 1.936 1.325 284 H TYR 40 HN TYR 40 -11.286 3.201 -0.190 285 HA TYR 40 HA TYR 40 -10.087 3.212 2.493 286 HB2 TYR 40 HB2 TYR 40 -9.217 1.928 0.097 287 HB3 TYR 40 HB1 TYR 40 -8.036 3.153 0.550 288 HD1 TYR 40 HD1 TYR 40 -7.088 3.086 2.921 289 HD2 TYR 40 HD2 TYR 40 -9.347 -0.083 1.217 290 HE1 TYR 40 HE1 TYR 40 -6.175 1.546 4.594 291 HE2 TYR 40 HE2 TYR 40 -8.434 -1.639 2.869 292 HH TYR 40 HH TYR 40 -6.577 -0.556 5.545 293 H ASP 41 HN ASP 41 -9.315 5.021 3.242 294 HA ASP 41 HA ASP 41 -9.202 7.417 1.515 295 HB2 ASP 41 HB2 ASP 41 -8.964 7.232 4.537 296 HB3 ASP 41 HB1 ASP 41 -9.094 8.704 3.588 297 H SER 42 HN SER 42 -7.328 8.899 1.888 298 HA SER 42 HA SER 42 -4.870 7.530 1.605 299 HB2 SER 42 HB2 SER 42 -3.868 9.806 1.683 300 HB3 SER 42 HB1 SER 42 -5.220 9.683 0.549 301 H LEU 43 HN LEU 43 -6.431 9.167 4.245 302 HA LEU 43 HA LEU 43 -4.367 9.168 6.118 303 HB2 LEU 43 HB2 LEU 43 -7.335 8.897 6.512 304 HB3 LEU 43 HB1 LEU 43 -6.198 9.155 7.817 305 HG LEU 43 HG LEU 43 -6.709 11.061 5.535 306 HD11 LEU 43 HD11 LEU 43 -7.496 11.196 8.438 307 HD12 LEU 43 HD12 LEU 43 -8.577 10.912 7.075 308 HD13 LEU 43 HD13 LEU 43 -7.751 12.466 7.238 309 HD21 LEU 43 HD21 LEU 43 -5.318 12.619 6.819 310 HD22 LEU 43 HD22 LEU 43 -4.408 11.184 6.346 311 HD23 LEU 43 HD23 LEU 43 -4.992 11.349 8.002 312 H ALA 44 HN ALA 44 -6.430 6.604 5.047 313 HA ALA 44 HA ALA 44 -5.491 4.827 7.128 314 HB1 ALA 44 HB1 ALA 44 -7.224 4.244 4.727 315 HB2 ALA 44 HB2 ALA 44 -7.805 4.625 6.347 316 HB3 ALA 44 HB3 ALA 44 -6.900 3.138 6.059 317 H LEU 45 HN LEU 45 -4.995 5.436 3.709 318 HA LEU 45 HA LEU 45 -3.349 3.251 3.083 319 HB2 LEU 45 HB2 LEU 45 -3.459 6.007 1.874 320 HB3 LEU 45 HB1 LEU 45 -2.575 4.662 1.183 321 HG LEU 45 HG LEU 45 -5.561 4.746 1.599 322 HD11 LEU 45 HD11 LEU 45 -4.846 6.298 -0.135 323 HD12 LEU 45 HD12 LEU 45 -5.679 4.911 -0.837 324 HD13 LEU 45 HD13 LEU 45 -3.920 5.016 -0.914 325 HD21 LEU 45 HD21 LEU 45 -3.790 2.740 0.225 326 HD22 LEU 45 HD22 LEU 45 -5.553 2.711 0.250 327 HD23 LEU 45 HD23 LEU 45 -4.644 2.500 1.750 328 H MET 46 HN MET 46 -2.617 6.339 4.500 329 HA MET 46 HA MET 46 0.201 6.194 4.327 330 HB2 MET 46 HB2 MET 46 -1.524 7.572 6.395 331 HB3 MET 46 HB1 MET 46 0.215 7.792 6.261 332 HG2 MET 46 HG2 MET 46 -0.036 8.766 4.065 333 HG3 MET 46 HG1 MET 46 -1.764 8.406 4.092 334 HE1 MET 46 HE1 MET 46 -0.681 11.276 3.385 335 HE2 MET 46 HE2 MET 46 -1.776 12.291 4.327 336 HE3 MET 46 HE3 MET 46 -2.395 10.873 3.481 337 H GLU 47 HN GLU 47 -2.099 4.798 6.521 338 HA GLU 47 HA GLU 47 -0.108 3.906 8.375 339 HB2 GLU 47 HB2 GLU 47 -2.459 4.460 9.045 340 HB3 GLU 47 HB1 GLU 47 -3.004 3.063 8.137 341 HG2 GLU 47 HG2 GLU 47 -1.777 1.577 9.601 342 HG3 GLU 47 HG1 GLU 47 -1.114 2.955 10.479 343 H THR 48 HN THR 48 -1.887 2.600 5.607 344 HA THR 48 HA THR 48 -1.178 -0.071 5.623 345 HB THR 48 HB THR 48 -1.128 1.800 3.236 346 HG1 THR 48 HG1 THR 48 -3.316 0.445 4.464 347 HG21 THR 48 HG21 THR 48 -0.280 -0.464 2.773 348 HG22 THR 48 HG22 THR 48 -1.830 -0.193 1.972 349 HG23 THR 48 HG23 THR 48 -1.759 -1.148 3.450 350 H ALA 49 HN ALA 49 0.518 2.648 4.096 351 HA ALA 49 HA ALA 49 2.880 1.364 3.408 352 HB1 ALA 49 HB1 ALA 49 3.848 3.604 3.258 353 HB2 ALA 49 HB2 ALA 49 2.485 4.262 4.162 354 HB3 ALA 49 HB3 ALA 49 2.229 3.573 2.559 355 H ALA 50 HN ALA 50 1.996 3.100 6.365 356 HA ALA 50 HA ALA 50 4.433 3.087 7.687 357 HB1 ALA 50 HB1 ALA 50 3.176 3.432 9.726 358 HB2 ALA 50 HB2 ALA 50 1.700 2.886 8.928 359 HB3 ALA 50 HB3 ALA 50 2.487 4.377 8.406 360 H ARG 51 HN ARG 51 1.958 0.575 7.605 361 HA ARG 51 HA ARG 51 3.011 -1.142 9.576 362 HB2 ARG 51 HB2 ARG 51 1.591 -1.927 7.023 363 HB3 ARG 51 HB1 ARG 51 1.828 -2.962 8.413 364 HG2 ARG 51 HG2 ARG 51 0.151 -0.461 8.339 365 HG3 ARG 51 HG1 ARG 51 -0.454 -2.108 8.244 366 HD2 ARG 51 HD2 ARG 51 -0.781 -1.362 10.474 367 HD3 ARG 51 HD1 ARG 51 0.556 -2.506 10.500 368 HE ARG 51 HE ARG 51 2.016 -0.446 10.525 369 HH11 ARG 51 HH11 ARG 51 -1.281 -0.326 11.794 370 HH12 ARG 51 HH12 ARG 51 -0.904 0.762 13.045 371 HH21 ARG 51 HH21 ARG 51 2.498 1.156 12.207 372 HH22 ARG 51 HH22 ARG 51 1.223 1.683 13.207 373 H LEU 52 HN LEU 52 3.346 -1.256 6.109 374 HA LEU 52 HA LEU 52 5.395 -3.159 6.044 375 HB2 LEU 52 HB2 LEU 52 4.686 -1.070 3.997 376 HB3 LEU 52 HB1 LEU 52 5.761 -2.429 3.706 377 HG LEU 52 HG LEU 52 2.830 -2.643 4.423 378 HD11 LEU 52 HD11 LEU 52 3.136 -1.785 2.191 379 HD12 LEU 52 HD12 LEU 52 2.542 -3.441 2.147 380 HD13 LEU 52 HD13 LEU 52 4.242 -3.107 1.808 381 HD21 LEU 52 HD21 LEU 52 4.824 -4.775 3.661 382 HD22 LEU 52 HD22 LEU 52 3.094 -5.020 3.924 383 HD23 LEU 52 HD23 LEU 52 4.131 -4.531 5.264 384 H GLU 53 HN GLU 53 5.593 0.357 6.357 385 HA GLU 53 HA GLU 53 8.329 0.642 5.973 386 HB2 GLU 53 HB2 GLU 53 6.508 2.197 7.810 387 HB3 GLU 53 HB1 GLU 53 8.190 2.617 7.549 388 HG2 GLU 53 HG2 GLU 53 7.667 2.879 5.130 389 HG3 GLU 53 HG1 GLU 53 5.966 2.636 5.533 390 H SER 54 HN SER 54 6.595 0.189 9.052 391 HA SER 54 HA SER 54 8.927 -0.122 10.599 392 HB2 SER 54 HB2 SER 54 6.129 -1.111 11.155 393 HB3 SER 54 HB1 SER 54 7.410 -0.892 12.350 394 HG SER 54 HG SER 54 7.411 1.384 11.394 395 H ARG 55 HN ARG 55 7.146 -2.310 8.644 396 HA ARG 55 HA ARG 55 8.120 -4.723 9.784 397 HB2 ARG 55 HB2 ARG 55 6.042 -4.737 8.572 398 HB3 ARG 55 HB1 ARG 55 6.821 -4.126 7.125 399 HG2 ARG 55 HG2 ARG 55 8.025 -6.229 6.882 400 HG3 ARG 55 HG1 ARG 55 7.277 -6.828 8.367 401 HD2 ARG 55 HD2 ARG 55 5.101 -6.764 7.374 402 HD3 ARG 55 HD1 ARG 55 5.719 -5.920 5.956 403 HE ARG 55 HE ARG 55 7.039 -8.387 6.315 404 HH11 ARG 55 HH11 ARG 55 3.764 -7.330 5.477 405 HH12 ARG 55 HH12 ARG 55 3.605 -8.390 4.152 406 HH21 ARG 55 HH21 ARG 55 6.794 -9.885 4.533 407 HH22 ARG 55 HH22 ARG 55 5.417 -9.886 3.561 408 H TYR 56 HN TYR 56 9.154 -2.766 6.984 409 HA TYR 56 HA TYR 56 11.389 -4.641 6.606 410 HB2 TYR 56 HB2 TYR 56 10.204 -2.611 4.734 411 HB3 TYR 56 HB1 TYR 56 11.714 -3.455 4.407 412 HD1 TYR 56 HD2 TYR 56 11.686 -5.936 4.100 413 HD2 TYR 56 HD1 TYR 56 8.123 -3.647 4.452 414 HE1 TYR 56 HE2 TYR 56 10.398 -7.791 3.139 415 HE2 TYR 56 HE1 TYR 56 6.830 -5.496 3.498 416 HH TYR 56 HH TYR 56 7.303 -7.412 1.991 417 H GLY 57 HN GLY 57 10.798 -1.426 7.674 418 HA2 GLY 57 HA2 GLY 57 12.333 -0.019 8.649 419 HA3 GLY 57 HA1 GLY 57 13.640 -1.041 8.053 420 H VAL 58 HN VAL 58 10.966 0.585 6.432 421 HA VAL 58 HA VAL 58 12.935 1.813 4.655 422 HB VAL 58 HB VAL 58 11.227 1.860 2.836 423 HG11 VAL 58 HG11 VAL 58 11.340 -0.513 2.264 424 HG12 VAL 58 HG12 VAL 58 11.834 -0.881 3.916 425 HG13 VAL 58 HG13 VAL 58 12.881 0.092 2.878 426 HG21 VAL 58 HG21 VAL 58 9.223 0.451 3.012 427 HG22 VAL 58 HG22 VAL 58 9.201 1.749 4.208 428 HG23 VAL 58 HG23 VAL 58 9.619 0.105 4.694 429 H SER 59 HN SER 59 11.726 3.761 3.358 430 HA SER 59 HA SER 59 10.445 5.371 5.413 431 HB2 SER 59 HB2 SER 59 12.685 6.271 3.573 432 HB3 SER 59 HB1 SER 59 11.850 7.274 4.758 433 HG SER 59 HG SER 59 12.620 5.827 6.377 434 H ILE 60 HN ILE 60 8.461 5.570 4.585 435 HA ILE 60 HA ILE 60 8.192 6.329 1.759 436 HB ILE 60 HB ILE 60 6.234 4.852 3.554 437 HG12 ILE 60 HG12 ILE 60 7.720 3.871 1.099 438 HG13 ILE 60 HG11 ILE 60 8.150 3.478 2.757 439 HG21 ILE 60 HG21 ILE 60 5.961 5.655 0.656 440 HG22 ILE 60 HG22 ILE 60 5.073 6.339 2.016 441 HG23 ILE 60 HG23 ILE 60 4.820 4.654 1.558 442 HD11 ILE 60 HD11 ILE 60 6.935 1.662 1.696 443 HD12 ILE 60 HD12 ILE 60 5.574 2.742 1.386 444 HD13 ILE 60 HD13 ILE 60 6.016 2.334 3.043 445 HA PRO 61 HA PRO 61 6.906 10.119 3.841 446 HB2 PRO 61 HB2 PRO 61 6.253 10.932 1.068 447 HB3 PRO 61 HB1 PRO 61 7.297 11.728 2.248 448 HG2 PRO 61 HG2 PRO 61 8.330 10.450 0.137 449 HG3 PRO 61 HG1 PRO 61 9.127 10.408 1.721 450 HD2 PRO 61 HD2 PRO 61 7.437 8.325 0.395 451 HD3 PRO 61 HD1 PRO 61 8.931 8.134 1.337 452 H ASP 62 HN ASP 62 5.017 10.380 4.695 453 HA ASP 62 HA ASP 62 2.812 8.810 4.098 454 HB2 ASP 62 HB2 ASP 62 1.523 10.194 5.719 455 HB3 ASP 62 HB1 ASP 62 3.065 9.625 6.332 456 H ASP 63 HN ASP 63 3.447 12.097 3.002 457 HA ASP 63 HA ASP 63 0.854 12.635 2.027 458 HB2 ASP 63 HB2 ASP 63 2.545 14.400 2.255 459 HB3 ASP 63 HB1 ASP 63 3.500 13.666 0.972 460 H VAL 64 HN VAL 64 3.416 10.735 0.727 461 HA VAL 64 HA VAL 64 2.613 10.617 -1.991 462 HB VAL 64 HB VAL 64 4.199 8.691 -0.328 463 HG11 VAL 64 HG11 VAL 64 4.036 8.961 -3.360 464 HG12 VAL 64 HG12 VAL 64 3.392 7.623 -2.413 465 HG13 VAL 64 HG13 VAL 64 5.135 7.871 -2.509 466 HG21 VAL 64 HG21 VAL 64 6.183 9.765 -1.315 467 HG22 VAL 64 HG22 VAL 64 5.187 10.905 -0.401 468 HG23 VAL 64 HG23 VAL 64 5.128 10.896 -2.161 469 H ALA 65 HN ALA 65 1.641 8.914 0.886 470 HA ALA 65 HA ALA 65 0.365 6.760 -0.479 471 HB1 ALA 65 HB1 ALA 65 -0.037 7.731 2.344 472 HB2 ALA 65 HB2 ALA 65 1.157 6.538 1.832 473 HB3 ALA 65 HB3 ALA 65 -0.565 6.179 1.696 474 H GLY 66 HN GLY 66 -0.370 9.976 -0.103 475 HA2 GLY 66 HA2 GLY 66 -3.234 9.526 -0.525 476 HA3 GLY 66 HA1 GLY 66 -2.483 11.070 -0.124 477 H ARG 67 HN ARG 67 -0.677 9.349 -2.367 478 HA ARG 67 HA ARG 67 -1.818 10.909 -4.610 479 HB2 ARG 67 HB2 ARG 67 0.975 9.808 -4.355 480 HB3 ARG 67 HB1 ARG 67 0.368 10.869 -5.611 481 HG2 ARG 67 HG2 ARG 67 0.149 12.660 -4.010 482 HG3 ARG 67 HG1 ARG 67 0.687 11.582 -2.716 483 HD2 ARG 67 HD2 ARG 67 2.782 11.209 -4.009 484 HD3 ARG 67 HD1 ARG 67 2.251 12.467 -5.124 485 HE ARG 67 HE ARG 67 2.107 13.603 -2.664 486 HH11 ARG 67 HH11 ARG 67 4.718 12.034 -4.513 487 HH12 ARG 67 HH12 ARG 67 5.944 12.958 -3.801 488 HH21 ARG 67 HH21 ARG 67 3.741 14.770 -1.681 489 HH22 ARG 67 HH22 ARG 67 5.397 14.615 -2.138 490 H VAL 68 HN VAL 68 -1.468 7.853 -3.304 491 HA VAL 68 HA VAL 68 -0.951 6.512 -5.759 492 HB VAL 68 HB VAL 68 -1.325 4.394 -4.452 493 HG11 VAL 68 HG11 VAL 68 0.887 5.359 -4.699 494 HG12 VAL 68 HG12 VAL 68 0.712 4.629 -3.105 495 HG13 VAL 68 HG13 VAL 68 0.617 6.384 -3.287 496 HG21 VAL 68 HG21 VAL 68 -2.887 5.256 -2.755 497 HG22 VAL 68 HG22 VAL 68 -1.602 6.286 -2.112 498 HG23 VAL 68 HG23 VAL 68 -1.460 4.534 -2.005 499 H ASP 69 HN ASP 69 -2.286 6.588 -7.194 500 HA ASP 69 HA ASP 69 -5.084 6.907 -6.986 501 HB2 ASP 69 HB2 ASP 69 -3.803 7.689 -8.894 502 HB3 ASP 69 HB1 ASP 69 -3.339 6.043 -9.268 503 H THR 70 HN THR 70 -3.037 4.147 -7.813 504 HA THR 70 HA THR 70 -5.250 2.356 -7.196 505 HB THR 70 HB THR 70 -4.478 0.904 -9.092 506 HG1 THR 70 HG1 THR 70 -3.045 3.106 -10.134 507 HG21 THR 70 HG21 THR 70 -5.362 2.289 -10.939 508 HG22 THR 70 HG22 THR 70 -5.181 3.723 -9.912 509 HG23 THR 70 HG23 THR 70 -6.341 2.471 -9.474 510 HA PRO 71 HA PRO 71 -2.225 0.311 -4.591 511 HB2 PRO 71 HB2 PRO 71 -3.162 -2.223 -5.870 512 HB3 PRO 71 HB1 PRO 71 -2.975 -1.831 -4.152 513 HG2 PRO 71 HG2 PRO 71 -5.383 -1.842 -5.205 514 HG3 PRO 71 HG1 PRO 71 -4.910 -0.521 -4.113 515 HD2 PRO 71 HD2 PRO 71 -5.080 -0.536 -7.107 516 HD3 PRO 71 HD1 PRO 71 -5.606 0.714 -5.959 517 H ARG 72 HN ARG 72 -2.289 -0.343 -8.016 518 HA ARG 72 HA ARG 72 0.152 -1.677 -8.396 519 HB2 ARG 72 HB2 ARG 72 -1.527 -1.272 -10.189 520 HB3 ARG 72 HB1 ARG 72 -1.144 0.440 -10.151 521 HG2 ARG 72 HG2 ARG 72 -0.061 -0.515 -12.048 522 HG3 ARG 72 HG1 ARG 72 1.185 -0.140 -10.859 523 HD2 ARG 72 HD2 ARG 72 1.624 -2.306 -11.837 524 HD3 ARG 72 HD1 ARG 72 1.163 -2.510 -10.148 525 HE ARG 72 HE ARG 72 -1.037 -2.701 -11.961 526 HH11 ARG 72 HH11 ARG 72 1.621 -4.585 -10.511 527 HH12 ARG 72 HH12 ARG 72 0.877 -6.082 -10.633 528 HH21 ARG 72 HH21 ARG 72 -2.113 -4.718 -12.172 529 HH22 ARG 72 HH22 ARG 72 -1.378 -6.194 -11.687 530 H GLU 73 HN GLU 73 -0.643 1.724 -8.046 531 HA GLU 73 HA GLU 73 1.933 2.821 -8.531 532 HB2 GLU 73 HB2 GLU 73 -0.258 4.033 -8.675 533 HB3 GLU 73 HB1 GLU 73 -0.377 3.942 -6.930 534 HG2 GLU 73 HG2 GLU 73 0.348 6.125 -7.577 535 HG3 GLU 73 HG1 GLU 73 1.673 5.295 -6.761 536 H LEU 74 HN LEU 74 0.157 1.861 -5.664 537 HA LEU 74 HA LEU 74 2.044 2.777 -3.741 538 HB2 LEU 74 HB2 LEU 74 -0.445 2.346 -3.398 539 HB3 LEU 74 HB1 LEU 74 -0.086 0.641 -3.410 540 HG LEU 74 HG LEU 74 -0.512 1.609 -1.152 541 HD11 LEU 74 HD11 LEU 74 2.236 0.462 -1.498 542 HD12 LEU 74 HD12 LEU 74 0.734 -0.441 -1.306 543 HD13 LEU 74 HD13 LEU 74 1.338 0.557 0.017 544 HD21 LEU 74 HD21 LEU 74 0.496 3.789 -1.448 545 HD22 LEU 74 HD22 LEU 74 2.092 3.051 -1.601 546 HD23 LEU 74 HD23 LEU 74 1.219 2.959 -0.071 547 H LEU 75 HN LEU 75 1.382 -0.368 -5.215 548 HA LEU 75 HA LEU 75 3.310 -1.901 -3.874 549 HB2 LEU 75 HB2 LEU 75 1.453 -2.821 -5.220 550 HB3 LEU 75 HB1 LEU 75 2.203 -2.199 -6.672 551 HG LEU 75 HG LEU 75 4.086 -3.764 -6.353 552 HD11 LEU 75 HD11 LEU 75 3.897 -5.548 -4.702 553 HD12 LEU 75 HD12 LEU 75 2.440 -4.797 -4.051 554 HD13 LEU 75 HD13 LEU 75 3.991 -3.967 -3.926 555 HD21 LEU 75 HD21 LEU 75 1.356 -5.044 -6.331 556 HD22 LEU 75 HD22 LEU 75 2.846 -5.799 -6.895 557 HD23 LEU 75 HD23 LEU 75 2.192 -4.396 -7.742 558 H ASP 76 HN ASP 76 3.389 -0.077 -6.882 559 HA ASP 76 HA ASP 76 5.976 -0.645 -7.742 560 HB2 ASP 76 HB2 ASP 76 4.352 0.437 -9.173 561 HB3 ASP 76 HB1 ASP 76 4.322 1.843 -8.119 562 H LEU 77 HN LEU 77 4.791 2.039 -5.788 563 HA LEU 77 HA LEU 77 7.126 3.427 -5.284 564 HB2 LEU 77 HB2 LEU 77 5.054 4.315 -4.560 565 HB3 LEU 77 HB1 LEU 77 4.706 2.910 -3.580 566 HG LEU 77 HG LEU 77 6.559 3.572 -2.058 567 HD11 LEU 77 HD11 LEU 77 6.606 6.124 -3.661 568 HD12 LEU 77 HD12 LEU 77 7.889 4.915 -3.568 569 HD13 LEU 77 HD13 LEU 77 7.441 5.828 -2.133 570 HD21 LEU 77 HD21 LEU 77 5.319 5.373 -0.981 571 HD22 LEU 77 HD22 LEU 77 4.252 4.084 -1.533 572 HD23 LEU 77 HD23 LEU 77 4.359 5.593 -2.445 573 H ILE 78 HN ILE 78 5.767 0.757 -3.412 574 HA ILE 78 HA ILE 78 7.943 0.742 -1.606 575 HB ILE 78 HB ILE 78 5.825 -1.388 -2.018 576 HG12 ILE 78 HG12 ILE 78 6.042 0.944 -0.103 577 HG13 ILE 78 HG11 ILE 78 4.910 0.786 -1.436 578 HG21 ILE 78 HG21 ILE 78 7.737 -0.939 0.295 579 HG22 ILE 78 HG22 ILE 78 7.820 -2.268 -0.860 580 HG23 ILE 78 HG23 ILE 78 6.449 -2.143 0.242 581 HD11 ILE 78 HD11 ILE 78 5.003 -0.901 1.039 582 HD12 ILE 78 HD12 ILE 78 3.882 -1.118 -0.306 583 HD13 ILE 78 HD13 ILE 78 3.823 0.357 0.665 584 H ASN 79 HN ASN 79 7.216 -1.174 -4.484 585 HA ASN 79 HA ASN 79 9.420 -2.944 -4.171 586 HB2 ASN 79 HB2 ASN 79 7.832 -2.144 -6.618 587 HB3 ASN 79 HB1 ASN 79 9.269 -3.139 -6.777 588 HD21 ASN 79 HD21 ASN 79 7.053 -3.395 -4.069 589 HD22 ASN 79 HD22 ASN 79 6.443 -4.960 -4.493 590 H GLY 80 HN GLY 80 9.111 0.180 -5.794 591 HA2 GLY 80 HA2 GLY 80 11.721 0.351 -6.788 592 HA3 GLY 80 HA1 GLY 80 10.696 1.720 -6.369 593 H ALA 81 HN ALA 81 10.364 1.371 -3.686 594 HA ALA 81 HA ALA 81 12.742 2.400 -2.592 595 HB1 ALA 81 HB1 ALA 81 11.629 2.225 -0.426 596 HB2 ALA 81 HB2 ALA 81 10.401 1.171 -1.132 597 HB3 ALA 81 HB3 ALA 81 10.520 2.853 -1.647 598 H LEU 82 HN LEU 82 11.350 -0.852 -2.501 599 HA LEU 82 HA LEU 82 13.258 -1.962 -0.755 600 HB2 LEU 82 HB2 LEU 82 11.333 -3.238 -2.668 601 HB3 LEU 82 HB1 LEU 82 12.395 -4.159 -1.623 602 HG LEU 82 HG LEU 82 10.284 -2.222 -0.673 603 HD11 LEU 82 HD11 LEU 82 9.315 -4.217 -1.687 604 HD12 LEU 82 HD12 LEU 82 9.088 -4.219 0.061 605 HD13 LEU 82 HD13 LEU 82 10.330 -5.235 -0.668 606 HD21 LEU 82 HD21 LEU 82 12.190 -2.384 0.843 607 HD22 LEU 82 HD22 LEU 82 12.057 -4.139 0.836 608 HD23 LEU 82 HD23 LEU 82 10.762 -3.159 1.535 609 H ALA 83 HN ALA 83 13.582 -1.122 -4.004 610 HA ALA 83 HA ALA 83 15.501 -3.055 -4.773 611 HB1 ALA 83 HB1 ALA 83 14.429 -1.570 -6.415 612 HB2 ALA 83 HB2 ALA 83 16.187 -1.437 -6.498 613 HB3 ALA 83 HB3 ALA 83 15.244 -0.184 -5.691 614 H GLU 84 HN GLU 84 15.636 -0.112 -2.962 615 HA GLU 84 HA GLU 84 18.527 -0.356 -2.566 616 HB2 GLU 84 HB2 GLU 84 16.590 1.843 -1.774 617 HB3 GLU 84 HB1 GLU 84 18.340 1.894 -1.553 618 HG2 GLU 84 HG2 GLU 84 18.690 1.832 -3.938 619 HG3 GLU 84 HG1 GLU 84 16.965 1.634 -4.218 620 H ALA 85 HN ALA 85 15.437 -0.509 -1.015 621 HA ALA 85 HA ALA 85 14.610 -1.607 0.687 622 HB1 ALA 85 HB1 ALA 85 16.125 -3.440 0.024 623 HB2 ALA 85 HB2 ALA 85 15.706 -3.440 1.732 624 HB3 ALA 85 HB3 ALA 85 17.296 -2.865 1.216 625 H ALA 86 HN ALA 86 16.894 0.659 1.110 626 HA ALA 86 HA ALA 86 17.303 2.213 2.641 627 HB1 ALA 86 HB1 ALA 86 14.849 2.352 2.865 628 HB2 ALA 86 HB2 ALA 86 15.682 2.729 4.372 629 HB3 ALA 86 HB3 ALA 86 14.915 1.155 4.160 630 H28 SXV 87 H28A SXV 87 -6.213 13.688 3.642 631 H28A SXV 87 H28B SXV 87 -4.865 12.602 3.948 632 H30 SXV 87 H30C SXV 87 -5.121 14.769 5.679 633 H30A SXV 87 H30A SXV 87 -3.521 15.492 5.530 634 H30B SXV 87 H30B SXV 87 -3.699 13.738 5.537 635 H31 SXV 87 H31C SXV 87 -2.419 13.640 3.526 636 H31A SXV 87 H31A SXV 87 -2.293 15.383 3.374 637 H31B SXV 87 H31B SXV 87 -2.921 14.426 2.037 638 H32 SXV 87 H32A SXV 87 -4.203 16.860 3.562 639 HO33 SXV 87 H33A SXV 87 -6.755 16.753 3.462 640 HN36 SXV 87 H36A SXV 87 -4.717 14.530 1.235 641 H37 SXV 87 H37B SXV 87 -4.791 16.446 -0.867 642 H37A SXV 87 H37A SXV 87 -6.333 15.627 -0.737 643 H38 SXV 87 H38B SXV 87 -5.250 13.502 -1.218 644 H38A SXV 87 H38A SXV 87 -3.658 14.266 -0.987 645 HN41 SXV 87 H41A SXV 87 -3.524 13.026 -3.022 646 H42 SXV 87 H42B SXV 87 -4.083 14.732 -5.353 647 H42A SXV 87 H42A SXV 87 -3.916 12.966 -5.373 648 H43 SXV 87 H43B SXV 87 -1.742 14.942 -4.691 649 H43A SXV 87 H43A SXV 87 -1.615 13.186 -4.593 650 H1 SXV 87 H1B SXV 87 0.275 15.269 -6.109 651 H1A SXV 87 H1A SXV 87 0.635 13.538 -5.991 652 H2 SXV 87 H2A SXV 87 0.538 14.994 -8.589 653 H2A SXV 87 H2B SXV 87 1.006 13.321 -8.295 654 H4 SXV 87 H4C SXV 87 3.234 16.737 -7.731 655 H4A SXV 87 H4A SXV 87 2.128 16.339 -9.052 656 H4B SXV 87 H4B SXV 87 3.770 15.680 -9.047 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 19.212 -8.991 -8.516 2 H2 MET 1 HT2 MET 1 20.685 -9.491 -7.832 3 H3 MET 1 HT3 MET 1 20.248 -7.839 -7.867 4 HA MET 1 HA MET 1 18.808 -9.899 -6.360 5 HB2 MET 1 HB2 MET 1 20.614 -7.636 -5.474 6 HB3 MET 1 HB1 MET 1 19.575 -8.547 -4.394 7 HG2 MET 1 HG2 MET 1 21.862 -9.639 -6.003 8 HG3 MET 1 HG1 MET 1 21.853 -9.315 -4.269 9 HE1 MET 1 HE1 MET 1 22.645 -11.744 -3.668 10 HE2 MET 1 HE2 MET 1 22.760 -12.101 -5.392 11 HE3 MET 1 HE3 MET 1 21.901 -13.206 -4.317 12 H ALA 2 HN ALA 2 16.880 -9.258 -5.599 13 HA ALA 2 HA ALA 2 16.090 -6.496 -5.834 14 HB1 ALA 2 HB1 ALA 2 14.624 -8.685 -7.301 15 HB2 ALA 2 HB2 ALA 2 15.562 -7.393 -8.052 16 HB3 ALA 2 HB3 ALA 2 14.095 -7.010 -7.149 17 H THR 3 HN THR 3 15.641 -6.330 -3.708 18 HA THR 3 HA THR 3 13.962 -8.258 -2.410 19 HB THR 3 HB THR 3 14.182 -6.230 -0.687 20 HG1 THR 3 HG1 THR 3 15.357 -4.690 -1.593 21 HG21 THR 3 HG21 THR 3 15.119 -8.485 -0.362 22 HG22 THR 3 HG22 THR 3 16.266 -7.242 0.143 23 HG23 THR 3 HG23 THR 3 16.480 -8.066 -1.402 24 H LEU 4 HN LEU 4 11.870 -8.161 -3.073 25 HA LEU 4 HA LEU 4 10.594 -5.519 -3.330 26 HB2 LEU 4 HB2 LEU 4 10.176 -7.881 -5.170 27 HB3 LEU 4 HB1 LEU 4 9.351 -6.344 -5.265 28 HG LEU 4 HG LEU 4 12.293 -6.801 -5.791 29 HD11 LEU 4 HD11 LEU 4 10.883 -7.744 -7.523 30 HD12 LEU 4 HD12 LEU 4 11.720 -6.307 -8.113 31 HD13 LEU 4 HD13 LEU 4 10.016 -6.215 -7.668 32 HD21 LEU 4 HD21 LEU 4 11.870 -4.584 -4.885 33 HD22 LEU 4 HD22 LEU 4 10.612 -4.320 -6.095 34 HD23 LEU 4 HD23 LEU 4 12.295 -4.495 -6.593 35 H LEU 5 HN LEU 5 8.216 -5.705 -3.127 36 HA LEU 5 HA LEU 5 7.465 -8.103 -1.666 37 HB2 LEU 5 HB2 LEU 5 5.823 -6.802 -0.371 38 HB3 LEU 5 HB1 LEU 5 7.437 -6.205 -0.114 39 HG LEU 5 HG LEU 5 6.781 -4.337 -1.801 40 HD11 LEU 5 HD11 LEU 5 4.040 -5.283 -0.994 41 HD12 LEU 5 HD12 LEU 5 4.722 -5.335 -2.620 42 HD13 LEU 5 HD13 LEU 5 4.416 -3.781 -1.843 43 HD21 LEU 5 HD21 LEU 5 5.798 -3.014 -0.014 44 HD22 LEU 5 HD22 LEU 5 7.153 -3.981 0.570 45 HD23 LEU 5 HD23 LEU 5 5.498 -4.484 0.914 46 H THR 6 HN THR 6 5.450 -8.983 -2.132 47 HA THR 6 HA THR 6 4.649 -8.268 -4.841 48 HB THR 6 HB THR 6 3.773 -10.598 -4.983 49 HG1 THR 6 HG1 THR 6 4.770 -10.679 -2.323 50 HG21 THR 6 HG21 THR 6 6.705 -10.345 -4.292 51 HG22 THR 6 HG22 THR 6 5.983 -10.046 -5.874 52 HG23 THR 6 HG23 THR 6 5.979 -11.675 -5.193 53 H THR 7 HN THR 7 2.291 -9.554 -5.065 54 HA THR 7 HA THR 7 0.441 -7.791 -4.031 55 HB THR 7 HB THR 7 -1.177 -9.667 -4.730 56 HG1 THR 7 HG1 THR 7 -0.245 -11.534 -5.158 57 HG21 THR 7 HG21 THR 7 0.853 -8.622 -6.708 58 HG22 THR 7 HG22 THR 7 -0.554 -7.736 -6.129 59 HG23 THR 7 HG23 THR 7 -0.769 -9.199 -7.097 60 H ASP 8 HN ASP 8 1.406 -10.995 -2.934 61 HA ASP 8 HA ASP 8 -0.516 -11.393 -0.937 62 HB2 ASP 8 HB2 ASP 8 2.315 -12.443 -1.114 63 HB3 ASP 8 HB1 ASP 8 1.110 -13.018 0.027 64 H ASP 9 HN ASP 9 2.642 -9.896 -0.835 65 HA ASP 9 HA ASP 9 2.767 -9.533 1.984 66 HB2 ASP 9 HB2 ASP 9 4.196 -7.940 -0.159 67 HB3 ASP 9 HB1 ASP 9 4.660 -8.072 1.529 68 H LEU 10 HN LEU 10 2.016 -7.420 -0.741 69 HA LEU 10 HA LEU 10 1.402 -5.080 0.677 70 HB2 LEU 10 HB2 LEU 10 1.826 -5.144 -1.733 71 HB3 LEU 10 HB1 LEU 10 0.353 -6.061 -1.975 72 HG LEU 10 HG LEU 10 -0.951 -4.104 -1.182 73 HD11 LEU 10 HD11 LEU 10 0.724 -3.064 0.217 74 HD12 LEU 10 HD12 LEU 10 0.141 -1.932 -1.002 75 HD13 LEU 10 HD13 LEU 10 1.713 -2.708 -1.199 76 HD21 LEU 10 HD21 LEU 10 0.914 -3.565 -3.486 77 HD22 LEU 10 HD22 LEU 10 -0.622 -2.748 -3.193 78 HD23 LEU 10 HD23 LEU 10 -0.597 -4.471 -3.561 79 H ARG 11 HN ARG 11 -0.593 -7.753 -0.403 80 HA ARG 11 HA ARG 11 -3.154 -6.926 0.188 81 HB2 ARG 11 HB2 ARG 11 -2.581 -9.013 -0.961 82 HB3 ARG 11 HB1 ARG 11 -1.954 -9.672 0.539 83 HG2 ARG 11 HG2 ARG 11 -4.257 -9.454 1.493 84 HG3 ARG 11 HG1 ARG 11 -4.811 -9.023 -0.130 85 HD2 ARG 11 HD2 ARG 11 -3.425 -11.579 0.661 86 HD3 ARG 11 HD1 ARG 11 -5.139 -11.400 0.304 87 HE ARG 11 HE ARG 11 -4.425 -10.762 -1.968 88 HH11 ARG 11 HH11 ARG 11 -2.481 -12.945 0.044 89 HH12 ARG 11 HH12 ARG 11 -1.600 -13.602 -1.261 90 HH21 ARG 11 HH21 ARG 11 -3.210 -11.698 -3.805 91 HH22 ARG 11 HH22 ARG 11 -2.041 -12.865 -3.523 92 H ARG 12 HN ARG 12 -0.860 -8.619 2.288 93 HA ARG 12 HA ARG 12 -2.609 -8.761 4.500 94 HB2 ARG 12 HB2 ARG 12 0.409 -8.846 4.527 95 HB3 ARG 12 HB1 ARG 12 -0.634 -9.300 5.865 96 HG2 ARG 12 HG2 ARG 12 -1.604 -11.077 4.426 97 HG3 ARG 12 HG1 ARG 12 -0.407 -10.663 3.195 98 HD2 ARG 12 HD2 ARG 12 1.371 -11.089 4.868 99 HD3 ARG 12 HD1 ARG 12 0.130 -11.630 5.995 100 HE ARG 12 HE ARG 12 0.561 -12.951 3.398 101 HH11 ARG 12 HH11 ARG 12 0.174 -13.213 6.944 102 HH12 ARG 12 HH12 ARG 12 0.368 -14.899 6.946 103 HH21 ARG 12 HH21 ARG 12 0.848 -15.197 3.457 104 HH22 ARG 12 HH22 ARG 12 0.790 -16.077 4.928 105 H ALA 13 HN ALA 13 -0.166 -6.364 3.655 106 HA ALA 13 HA ALA 13 -0.455 -4.861 6.063 107 HB1 ALA 13 HB1 ALA 13 0.540 -3.960 3.369 108 HB2 ALA 13 HB2 ALA 13 1.523 -4.683 4.641 109 HB3 ALA 13 HB3 ALA 13 0.763 -3.111 4.896 110 H LEU 14 HN LEU 14 -2.001 -4.817 2.942 111 HA LEU 14 HA LEU 14 -3.486 -2.432 3.323 112 HB2 LEU 14 HB2 LEU 14 -2.888 -3.484 1.125 113 HB3 LEU 14 HB1 LEU 14 -4.045 -4.742 1.462 114 HG LEU 14 HG LEU 14 -5.885 -3.130 1.375 115 HD11 LEU 14 HD11 LEU 14 -4.692 -1.166 2.210 116 HD12 LEU 14 HD12 LEU 14 -5.478 -0.823 0.667 117 HD13 LEU 14 HD13 LEU 14 -3.738 -1.106 0.728 118 HD21 LEU 14 HD21 LEU 14 -4.017 -2.946 -0.984 119 HD22 LEU 14 HD22 LEU 14 -5.747 -2.601 -1.006 120 HD23 LEU 14 HD23 LEU 14 -5.179 -4.237 -0.678 121 H VAL 15 HN VAL 15 -3.827 -5.626 4.400 122 HA VAL 15 HA VAL 15 -6.595 -5.318 5.192 123 HB VAL 15 HB VAL 15 -4.517 -7.421 5.968 124 HG11 VAL 15 HG11 VAL 15 -6.170 -7.161 7.755 125 HG12 VAL 15 HG12 VAL 15 -6.378 -8.701 6.921 126 HG13 VAL 15 HG13 VAL 15 -7.473 -7.363 6.586 127 HG21 VAL 15 HG21 VAL 15 -5.838 -8.922 4.554 128 HG22 VAL 15 HG22 VAL 15 -5.221 -7.546 3.637 129 HG23 VAL 15 HG23 VAL 15 -6.912 -7.583 4.141 130 H GLU 16 HN GLU 16 -3.425 -5.396 6.767 131 HA GLU 16 HA GLU 16 -4.070 -5.004 9.391 132 HB2 GLU 16 HB2 GLU 16 -1.667 -4.004 7.891 133 HB3 GLU 16 HB1 GLU 16 -1.853 -3.860 9.626 134 HG2 GLU 16 HG2 GLU 16 -2.009 -6.269 9.834 135 HG3 GLU 16 HG1 GLU 16 -1.844 -6.432 8.085 136 H SER 17 HN SER 17 -3.771 -2.361 6.989 137 HA SER 17 HA SER 17 -4.029 -0.390 8.973 138 HB2 SER 17 HB2 SER 17 -4.622 1.060 6.871 139 HB3 SER 17 HB1 SER 17 -2.991 0.426 7.097 140 HG SER 17 HG SER 17 -5.054 -0.697 5.493 141 H ALA 18 HN ALA 18 -6.450 -2.224 7.306 142 HA ALA 18 HA ALA 18 -8.581 -0.493 8.251 143 HB1 ALA 18 HB1 ALA 18 -8.681 -3.250 6.985 144 HB2 ALA 18 HB2 ALA 18 -8.896 -1.719 6.133 145 HB3 ALA 18 HB3 ALA 18 -10.083 -2.239 7.331 146 H GLY 19 HN GLY 19 -7.077 -3.550 8.927 147 HA2 GLY 19 HA2 GLY 19 -6.674 -3.983 11.279 148 HA3 GLY 19 HA1 GLY 19 -8.350 -3.506 11.553 149 H GLU 20 HN GLU 20 -9.290 -5.229 12.184 150 HA GLU 20 HA GLU 20 -8.780 -7.773 10.848 151 HB2 GLU 20 HB2 GLU 20 -10.057 -7.099 13.500 152 HB3 GLU 20 HB1 GLU 20 -9.860 -8.727 12.863 153 HG2 GLU 20 HG2 GLU 20 -7.594 -6.829 13.451 154 HG3 GLU 20 HG1 GLU 20 -8.142 -8.113 14.528 155 H THR 21 HN THR 21 -10.411 -5.491 9.925 156 HA THR 21 HA THR 21 -13.164 -6.005 9.954 157 HB THR 21 HB THR 21 -11.515 -4.836 7.703 158 HG1 THR 21 HG1 THR 21 -12.191 -3.866 10.254 159 HG21 THR 21 HG21 THR 21 -13.918 -5.124 7.241 160 HG22 THR 21 HG22 THR 21 -13.504 -3.414 7.372 161 HG23 THR 21 HG23 THR 21 -14.309 -4.231 8.712 162 H ASP 22 HN ASP 22 -13.539 -8.243 9.553 163 HA ASP 22 HA ASP 22 -12.331 -9.554 7.330 164 HB2 ASP 22 HB2 ASP 22 -13.740 -11.480 7.781 165 HB3 ASP 22 HB1 ASP 22 -13.170 -10.855 9.317 166 H GLY 23 HN GLY 23 -12.863 -9.565 5.346 167 HA2 GLY 23 HA2 GLY 23 -14.889 -9.717 3.807 168 HA3 GLY 23 HA1 GLY 23 -15.336 -8.182 4.555 169 H THR 24 HN THR 24 -12.806 -7.081 4.828 170 HA THR 24 HA THR 24 -12.269 -6.386 2.082 171 HB THR 24 HB THR 24 -11.071 -5.238 4.641 172 HG1 THR 24 HG1 THR 24 -12.443 -3.437 4.074 173 HG21 THR 24 HG21 THR 24 -9.622 -4.907 2.677 174 HG22 THR 24 HG22 THR 24 -10.328 -3.375 3.200 175 HG23 THR 24 HG23 THR 24 -10.976 -4.206 1.788 176 H ASP 25 HN ASP 25 -11.473 -8.491 1.608 177 HA ASP 25 HA ASP 25 -8.635 -8.746 2.315 178 HB2 ASP 25 HB2 ASP 25 -8.694 -11.103 1.891 179 HB3 ASP 25 HB1 ASP 25 -10.124 -10.793 2.864 180 H LEU 26 HN LEU 26 -7.420 -9.718 0.314 181 HA LEU 26 HA LEU 26 -8.504 -8.285 -1.983 182 HB2 LEU 26 HB2 LEU 26 -5.647 -8.198 -1.008 183 HB3 LEU 26 HB1 LEU 26 -6.185 -7.565 -2.542 184 HG LEU 26 HG LEU 26 -5.885 -5.731 -1.165 185 HD11 LEU 26 HD11 LEU 26 -8.817 -6.287 -1.176 186 HD12 LEU 26 HD12 LEU 26 -7.861 -5.513 -2.439 187 HD13 LEU 26 HD13 LEU 26 -8.078 -4.712 -0.882 188 HD21 LEU 26 HD21 LEU 26 -6.867 -5.420 1.081 189 HD22 LEU 26 HD22 LEU 26 -5.736 -6.772 1.021 190 HD23 LEU 26 HD23 LEU 26 -7.474 -7.076 1.025 191 H SER 27 HN SER 27 -9.202 -10.436 -2.621 192 HA SER 27 HA SER 27 -7.080 -12.266 -3.386 193 HB2 SER 27 HB2 SER 27 -10.092 -12.563 -3.487 194 HB3 SER 27 HB1 SER 27 -8.939 -13.815 -3.955 195 HG SER 27 HG SER 27 -9.454 -12.722 -1.390 196 H GLY 28 HN GLY 28 -6.405 -12.567 -5.375 197 HA2 GLY 28 HA2 GLY 28 -6.426 -12.591 -7.722 198 HA3 GLY 28 HA1 GLY 28 -8.010 -11.819 -7.689 199 H ASP 29 HN ASP 29 -7.597 -10.114 -9.085 200 HA ASP 29 HA ASP 29 -5.293 -8.479 -8.454 201 HB2 ASP 29 HB2 ASP 29 -5.673 -8.792 -10.851 202 HB3 ASP 29 HB1 ASP 29 -7.310 -8.155 -10.698 203 H PHE 30 HN PHE 30 -5.432 -7.098 -7.046 204 HA PHE 30 HA PHE 30 -7.898 -5.544 -6.704 205 HB2 PHE 30 HB2 PHE 30 -7.132 -5.150 -4.382 206 HB3 PHE 30 HB1 PHE 30 -7.368 -6.862 -4.702 207 HD1 PHE 30 HD2 PHE 30 -5.337 -8.326 -5.041 208 HD2 PHE 30 HD1 PHE 30 -5.028 -4.296 -3.690 209 HE1 PHE 30 HE2 PHE 30 -3.049 -8.760 -4.258 210 HE2 PHE 30 HE1 PHE 30 -2.740 -4.730 -2.915 211 HZ PHE 30 HZ PHE 30 -1.799 -7.011 -3.078 212 H LEU 31 HN LEU 31 -5.296 -5.473 -8.351 213 HA LEU 31 HA LEU 31 -3.981 -3.148 -7.301 214 HB2 LEU 31 HB2 LEU 31 -3.351 -4.868 -9.684 215 HB3 LEU 31 HB1 LEU 31 -2.395 -3.506 -9.155 216 HG LEU 31 HG LEU 31 -1.265 -5.426 -8.484 217 HD11 LEU 31 HD11 LEU 31 -2.670 -4.344 -6.071 218 HD12 LEU 31 HD12 LEU 31 -1.203 -3.720 -6.827 219 HD13 LEU 31 HD13 LEU 31 -1.189 -5.302 -6.049 220 HD21 LEU 31 HD21 LEU 31 -3.000 -7.100 -8.673 221 HD22 LEU 31 HD22 LEU 31 -3.816 -6.460 -7.251 222 HD23 LEU 31 HD23 LEU 31 -2.237 -7.227 -7.086 223 H ASP 32 HN ASP 32 -6.094 -4.040 -9.987 224 HA ASP 32 HA ASP 32 -5.622 -1.506 -11.314 225 HB2 ASP 32 HB2 ASP 32 -6.052 -3.655 -12.552 226 HB3 ASP 32 HB1 ASP 32 -7.720 -3.566 -11.998 227 H LEU 33 HN LEU 33 -7.751 -2.687 -8.975 228 HA LEU 33 HA LEU 33 -9.791 -0.767 -9.554 229 HB2 LEU 33 HB2 LEU 33 -10.869 -1.550 -7.425 230 HB3 LEU 33 HB1 LEU 33 -10.623 -2.786 -8.628 231 HG LEU 33 HG LEU 33 -8.574 -3.487 -7.255 232 HD11 LEU 33 HD11 LEU 33 -8.612 -2.941 -4.883 233 HD12 LEU 33 HD12 LEU 33 -9.928 -1.799 -5.166 234 HD13 LEU 33 HD13 LEU 33 -8.342 -1.509 -5.877 235 HD21 LEU 33 HD21 LEU 33 -11.331 -3.781 -6.079 236 HD22 LEU 33 HD22 LEU 33 -9.941 -4.803 -5.713 237 HD23 LEU 33 HD23 LEU 33 -10.616 -4.783 -7.342 238 H ARG 34 HN ARG 34 -10.547 0.515 -7.316 239 HA ARG 34 HA ARG 34 -8.196 2.248 -6.952 240 HB2 ARG 34 HB2 ARG 34 -11.079 3.017 -6.560 241 HB3 ARG 34 HB1 ARG 34 -9.693 4.076 -6.742 242 HG2 ARG 34 HG2 ARG 34 -10.874 2.329 -8.880 243 HG3 ARG 34 HG1 ARG 34 -11.128 4.060 -8.703 244 HD2 ARG 34 HD2 ARG 34 -8.874 4.528 -9.255 245 HD3 ARG 34 HD1 ARG 34 -8.386 2.832 -9.154 246 HE ARG 34 HE ARG 34 -10.456 2.882 -10.925 247 HH11 ARG 34 HH11 ARG 34 -7.173 4.443 -11.022 248 HH12 ARG 34 HH12 ARG 34 -7.223 4.573 -12.683 249 HH21 ARG 34 HH21 ARG 34 -10.409 3.152 -13.213 250 HH22 ARG 34 HH22 ARG 34 -9.061 3.879 -13.960 251 H PHE 35 HN PHE 35 -8.549 3.553 -4.818 252 HA PHE 35 HA PHE 35 -8.716 1.569 -2.759 253 HB2 PHE 35 HB2 PHE 35 -8.225 4.538 -2.592 254 HB3 PHE 35 HB1 PHE 35 -8.089 3.408 -1.240 255 HD1 PHE 35 HD2 PHE 35 -6.448 1.529 -1.408 256 HD2 PHE 35 HD1 PHE 35 -6.451 4.822 -4.101 257 HE1 PHE 35 HE2 PHE 35 -4.144 0.999 -2.063 258 HE2 PHE 35 HE1 PHE 35 -4.196 4.288 -4.774 259 HZ PHE 35 HZ PHE 35 -3.005 2.377 -3.743 260 H GLU 36 HN GLU 36 -10.826 3.622 -4.245 261 HA GLU 36 HA GLU 36 -12.693 4.189 -2.208 262 HB2 GLU 36 HB2 GLU 36 -13.128 3.835 -5.172 263 HB3 GLU 36 HB1 GLU 36 -14.204 4.668 -4.056 264 HG2 GLU 36 HG2 GLU 36 -12.537 6.364 -3.657 265 HG3 GLU 36 HG1 GLU 36 -11.379 5.500 -4.665 266 H ASP 37 HN ASP 37 -12.112 1.439 -4.315 267 HA ASP 37 HA ASP 37 -14.518 0.013 -3.982 268 HB2 ASP 37 HB2 ASP 37 -11.707 -0.995 -4.489 269 HB3 ASP 37 HB1 ASP 37 -13.150 -1.991 -4.587 270 H ILE 38 HN ILE 38 -11.518 0.061 -2.226 271 HA ILE 38 HA ILE 38 -12.518 -1.935 -0.366 272 HB ILE 38 HB ILE 38 -10.145 -2.028 0.462 273 HG12 ILE 38 HG12 ILE 38 -9.680 -0.258 -1.960 274 HG13 ILE 38 HG11 ILE 38 -9.450 0.218 -0.286 275 HG21 ILE 38 HG21 ILE 38 -9.365 -3.292 -1.507 276 HG22 ILE 38 HG22 ILE 38 -10.668 -2.558 -2.453 277 HG23 ILE 38 HG23 ILE 38 -11.055 -3.637 -1.115 278 HD11 ILE 38 HD11 ILE 38 -7.640 -1.402 -0.079 279 HD12 ILE 38 HD12 ILE 38 -7.339 -0.251 -1.382 280 HD13 ILE 38 HD13 ILE 38 -7.885 -1.887 -1.757 281 H GLY 39 HN GLY 39 -13.046 1.048 -0.495 282 HA2 GLY 39 HA2 GLY 39 -13.603 2.713 1.009 283 HA3 GLY 39 HA1 GLY 39 -13.632 1.439 2.216 284 H TYR 40 HN TYR 40 -10.908 2.654 0.334 285 HA TYR 40 HA TYR 40 -9.591 3.295 2.861 286 HB2 TYR 40 HB2 TYR 40 -8.629 2.037 0.393 287 HB3 TYR 40 HB1 TYR 40 -7.542 3.216 1.119 288 HD1 TYR 40 HD2 TYR 40 -9.212 -0.020 1.596 289 HD2 TYR 40 HD1 TYR 40 -6.538 2.845 3.208 290 HE1 TYR 40 HE2 TYR 40 -8.448 -1.671 3.247 291 HE2 TYR 40 HE1 TYR 40 -5.770 1.221 4.857 292 HH TYR 40 HH TYR 40 -6.518 -2.067 4.611 293 H ASP 41 HN ASP 41 -9.075 5.201 3.293 294 HA ASP 41 HA ASP 41 -9.294 7.333 1.311 295 HB2 ASP 41 HB2 ASP 41 -8.883 7.395 4.311 296 HB3 ASP 41 HB1 ASP 41 -8.913 8.828 3.297 297 H SER 42 HN SER 42 -7.587 9.029 1.389 298 HA SER 42 HA SER 42 -5.062 8.007 0.740 299 HB2 SER 42 HB2 SER 42 -4.506 10.509 0.924 300 HB3 SER 42 HB1 SER 42 -5.802 10.061 -0.205 301 H LEU 43 HN LEU 43 -6.367 9.581 3.562 302 HA LEU 43 HA LEU 43 -4.079 9.693 5.176 303 HB2 LEU 43 HB2 LEU 43 -6.981 9.466 5.937 304 HB3 LEU 43 HB1 LEU 43 -5.692 9.802 7.069 305 HG LEU 43 HG LEU 43 -6.464 11.571 4.745 306 HD11 LEU 43 HD11 LEU 43 -6.960 11.876 7.705 307 HD12 LEU 43 HD12 LEU 43 -8.176 11.524 6.476 308 HD13 LEU 43 HD13 LEU 43 -7.333 13.074 6.464 309 HD21 LEU 43 HD21 LEU 43 -4.523 12.010 7.015 310 HD22 LEU 43 HD22 LEU 43 -4.973 13.203 5.798 311 HD23 LEU 43 HD23 LEU 43 -4.097 11.745 5.324 312 H ALA 44 HN ALA 44 -6.316 7.075 4.554 313 HA ALA 44 HA ALA 44 -5.366 5.445 6.727 314 HB1 ALA 44 HB1 ALA 44 -6.792 3.705 5.783 315 HB2 ALA 44 HB2 ALA 44 -7.061 4.695 4.349 316 HB3 ALA 44 HB3 ALA 44 -7.666 5.231 5.916 317 H LEU 45 HN LEU 45 -4.747 5.821 3.335 318 HA LEU 45 HA LEU 45 -3.213 3.524 2.844 319 HB2 LEU 45 HB2 LEU 45 -3.053 6.255 1.596 320 HB3 LEU 45 HB1 LEU 45 -2.286 4.814 0.952 321 HG LEU 45 HG LEU 45 -5.249 5.205 1.292 322 HD11 LEU 45 HD11 LEU 45 -3.526 5.203 -1.175 323 HD12 LEU 45 HD12 LEU 45 -4.342 6.606 -0.479 324 HD13 LEU 45 HD13 LEU 45 -5.286 5.275 -1.148 325 HD21 LEU 45 HD21 LEU 45 -5.410 3.127 0.043 326 HD22 LEU 45 HD22 LEU 45 -4.538 2.900 1.566 327 HD23 LEU 45 HD23 LEU 45 -3.653 3.003 0.038 328 H MET 46 HN MET 46 -2.493 6.478 4.384 329 HA MET 46 HA MET 46 0.337 6.344 4.273 330 HB2 MET 46 HB2 MET 46 -1.438 7.736 6.296 331 HB3 MET 46 HB1 MET 46 0.276 8.051 6.049 332 HG2 MET 46 HG2 MET 46 -0.134 8.849 3.820 333 HG3 MET 46 HG1 MET 46 -1.835 8.409 3.950 334 HE1 MET 46 HE1 MET 46 -2.072 12.262 3.813 335 HE2 MET 46 HE2 MET 46 -2.682 10.733 3.185 336 HE3 MET 46 HE3 MET 46 -1.002 11.192 2.904 337 H GLU 47 HN GLU 47 -2.107 4.930 6.325 338 HA GLU 47 HA GLU 47 -0.170 4.019 8.235 339 HB2 GLU 47 HB2 GLU 47 -2.469 4.576 8.936 340 HB3 GLU 47 HB1 GLU 47 -3.082 3.267 7.936 341 HG2 GLU 47 HG2 GLU 47 -1.941 1.631 9.280 342 HG3 GLU 47 HG1 GLU 47 -1.175 2.902 10.228 343 H THR 48 HN THR 48 -1.923 2.770 5.448 344 HA THR 48 HA THR 48 -1.231 0.082 5.518 345 HB THR 48 HB THR 48 -1.274 1.896 3.084 346 HG1 THR 48 HG1 THR 48 -3.382 0.590 4.489 347 HG21 THR 48 HG21 THR 48 -0.440 -0.383 2.646 348 HG22 THR 48 HG22 THR 48 -2.021 -0.139 1.901 349 HG23 THR 48 HG23 THR 48 -1.885 -1.057 3.399 350 H ALA 49 HN ALA 49 0.475 2.833 4.049 351 HA ALA 49 HA ALA 49 2.820 1.536 3.283 352 HB1 ALA 49 HB1 ALA 49 3.804 3.773 3.208 353 HB2 ALA 49 HB2 ALA 49 2.447 4.405 4.141 354 HB3 ALA 49 HB3 ALA 49 2.181 3.769 2.517 355 H ALA 50 HN ALA 50 2.005 3.219 6.290 356 HA ALA 50 HA ALA 50 4.444 2.939 7.597 357 HB1 ALA 50 HB1 ALA 50 2.663 4.455 8.310 358 HB2 ALA 50 HB2 ALA 50 3.232 3.432 9.631 359 HB3 ALA 50 HB3 ALA 50 1.705 3.069 8.830 360 H ARG 51 HN ARG 51 1.815 0.648 7.267 361 HA ARG 51 HA ARG 51 2.622 -1.239 9.244 362 HB2 ARG 51 HB2 ARG 51 1.397 -1.864 6.535 363 HB3 ARG 51 HB1 ARG 51 1.450 -2.944 7.903 364 HG2 ARG 51 HG2 ARG 51 -0.146 -0.388 7.739 365 HG3 ARG 51 HG1 ARG 51 -0.776 -2.007 7.479 366 HD2 ARG 51 HD2 ARG 51 -1.398 -1.508 9.664 367 HD3 ARG 51 HD1 ARG 51 0.043 -2.494 9.862 368 HE ARG 51 HE ARG 51 0.587 0.313 9.816 369 HH11 ARG 51 HH11 ARG 51 -0.456 -2.390 11.903 370 HH12 ARG 51 HH12 ARG 51 -0.015 -1.636 13.348 371 HH21 ARG 51 HH21 ARG 51 1.129 1.409 11.877 372 HH22 ARG 51 HH22 ARG 51 0.906 0.550 13.328 373 H LEU 52 HN LEU 52 3.285 -0.944 5.825 374 HA LEU 52 HA LEU 52 5.141 -3.049 5.666 375 HB2 LEU 52 HB2 LEU 52 4.547 -0.765 3.802 376 HB3 LEU 52 HB1 LEU 52 5.679 -2.053 3.420 377 HG LEU 52 HG LEU 52 2.790 -2.573 4.116 378 HD11 LEU 52 HD11 LEU 52 2.421 -2.926 1.735 379 HD12 LEU 52 HD12 LEU 52 4.050 -2.328 1.394 380 HD13 LEU 52 HD13 LEU 52 2.838 -1.256 2.098 381 HD21 LEU 52 HD21 LEU 52 4.914 -4.276 2.831 382 HD22 LEU 52 HD22 LEU 52 3.234 -4.747 3.099 383 HD23 LEU 52 HD23 LEU 52 4.296 -4.441 4.474 384 H GLU 53 HN GLU 53 5.578 0.360 6.396 385 HA GLU 53 HA GLU 53 8.368 0.491 6.151 386 HB2 GLU 53 HB2 GLU 53 6.639 1.815 8.246 387 HB3 GLU 53 HB1 GLU 53 8.326 2.196 7.958 388 HG2 GLU 53 HG2 GLU 53 7.700 2.867 5.649 389 HG3 GLU 53 HG1 GLU 53 6.008 2.653 6.112 390 H SER 54 HN SER 54 6.398 -0.415 8.890 391 HA SER 54 HA SER 54 8.415 -1.165 10.679 392 HB2 SER 54 HB2 SER 54 6.182 -0.730 11.437 393 HB3 SER 54 HB1 SER 54 5.512 -1.937 10.350 394 HG SER 54 HG SER 54 7.173 -2.467 12.625 395 H ARG 55 HN ARG 55 6.696 -2.911 8.191 396 HA ARG 55 HA ARG 55 7.544 -5.508 8.896 397 HB2 ARG 55 HB2 ARG 55 5.507 -4.920 7.630 398 HB3 ARG 55 HB1 ARG 55 6.513 -4.504 6.257 399 HG2 ARG 55 HG2 ARG 55 7.264 -6.799 6.087 400 HG3 ARG 55 HG1 ARG 55 6.311 -7.226 7.514 401 HD2 ARG 55 HD2 ARG 55 4.293 -6.401 6.301 402 HD3 ARG 55 HD1 ARG 55 5.298 -6.232 4.864 403 HE ARG 55 HE ARG 55 5.623 -8.602 4.886 404 HH11 ARG 55 HH11 ARG 55 3.072 -7.346 6.995 405 HH12 ARG 55 HH12 ARG 55 2.199 -8.800 7.100 406 HH21 ARG 55 HH21 ARG 55 4.420 -10.630 4.946 407 HH22 ARG 55 HH22 ARG 55 3.042 -10.748 5.943 408 H TYR 56 HN TYR 56 8.919 -3.120 6.639 409 HA TYR 56 HA TYR 56 10.982 -5.135 5.988 410 HB2 TYR 56 HB2 TYR 56 9.931 -2.929 4.247 411 HB3 TYR 56 HB1 TYR 56 11.325 -3.927 3.849 412 HD1 TYR 56 HD2 TYR 56 10.982 -6.428 3.707 413 HD2 TYR 56 HD1 TYR 56 7.773 -3.651 3.769 414 HE1 TYR 56 HE2 TYR 56 9.497 -8.136 2.777 415 HE2 TYR 56 HE1 TYR 56 6.276 -5.359 2.849 416 HH TYR 56 HH TYR 56 6.994 -8.557 2.877 417 H GLY 57 HN GLY 57 10.603 -2.139 7.503 418 HA2 GLY 57 HA2 GLY 57 12.245 -0.857 8.475 419 HA3 GLY 57 HA1 GLY 57 13.463 -1.850 7.672 420 H VAL 58 HN VAL 58 10.758 0.023 6.466 421 HA VAL 58 HA VAL 58 12.654 1.474 4.799 422 HB VAL 58 HB VAL 58 10.910 1.774 3.048 423 HG11 VAL 58 HG11 VAL 58 12.608 0.093 2.800 424 HG12 VAL 58 HG12 VAL 58 11.079 -0.465 2.119 425 HG13 VAL 58 HG13 VAL 58 11.620 -1.069 3.688 426 HG21 VAL 58 HG21 VAL 58 8.969 0.296 3.007 427 HG22 VAL 58 HG22 VAL 58 8.913 1.385 4.395 428 HG23 VAL 58 HG23 VAL 58 9.381 -0.305 4.615 429 H SER 59 HN SER 59 11.476 3.503 3.818 430 HA SER 59 HA SER 59 10.110 4.854 6.008 431 HB2 SER 59 HB2 SER 59 12.454 5.929 4.418 432 HB3 SER 59 HB1 SER 59 11.591 6.776 5.710 433 HG SER 59 HG SER 59 12.178 4.576 6.788 434 H ILE 60 HN ILE 60 8.228 5.329 5.184 435 HA ILE 60 HA ILE 60 8.075 6.262 2.390 436 HB ILE 60 HB ILE 60 5.926 4.733 3.892 437 HG12 ILE 60 HG12 ILE 60 7.711 3.742 1.655 438 HG13 ILE 60 HG11 ILE 60 7.978 3.376 3.353 439 HG21 ILE 60 HG21 ILE 60 5.068 6.262 2.172 440 HG22 ILE 60 HG22 ILE 60 4.853 4.584 1.675 441 HG23 ILE 60 HG23 ILE 60 6.159 5.547 0.983 442 HD11 ILE 60 HD11 ILE 60 6.890 1.542 2.209 443 HD12 ILE 60 HD12 ILE 60 5.568 2.606 1.729 444 HD13 ILE 60 HD13 ILE 60 5.827 2.231 3.435 445 HA PRO 61 HA PRO 61 6.636 9.879 4.640 446 HB2 PRO 61 HB2 PRO 61 6.336 10.961 1.910 447 HB3 PRO 61 HB1 PRO 61 7.288 11.581 3.265 448 HG2 PRO 61 HG2 PRO 61 8.471 10.449 1.154 449 HG3 PRO 61 HG1 PRO 61 9.091 10.200 2.799 450 HD2 PRO 61 HD2 PRO 61 7.402 8.382 1.118 451 HD3 PRO 61 HD1 PRO 61 8.812 7.991 2.129 452 H ASP 62 HN ASP 62 4.701 10.439 5.210 453 HA ASP 62 HA ASP 62 2.389 9.045 4.671 454 HB2 ASP 62 HB2 ASP 62 2.664 11.851 5.731 455 HB3 ASP 62 HB1 ASP 62 1.165 10.937 5.741 456 H ASP 63 HN ASP 63 3.160 12.290 3.504 457 HA ASP 63 HA ASP 63 0.732 12.759 2.173 458 HB2 ASP 63 HB2 ASP 63 3.449 13.984 1.846 459 HB3 ASP 63 HB1 ASP 63 2.104 14.467 0.827 460 H VAL 64 HN VAL 64 3.447 10.947 1.155 461 HA VAL 64 HA VAL 64 3.010 11.150 -1.655 462 HB VAL 64 HB VAL 64 4.493 9.035 -0.092 463 HG11 VAL 64 HG11 VAL 64 4.016 8.323 -2.399 464 HG12 VAL 64 HG12 VAL 64 5.741 8.643 -2.202 465 HG13 VAL 64 HG13 VAL 64 4.708 9.823 -3.016 466 HG21 VAL 64 HG21 VAL 64 6.524 10.329 -0.623 467 HG22 VAL 64 HG22 VAL 64 5.382 11.235 0.371 468 HG23 VAL 64 HG23 VAL 64 5.514 11.579 -1.353 469 H ALA 65 HN ALA 65 1.599 9.292 0.878 470 HA ALA 65 HA ALA 65 0.605 7.189 -0.807 471 HB1 ALA 65 HB1 ALA 65 -0.179 7.938 2.010 472 HB2 ALA 65 HB2 ALA 65 1.083 6.789 1.564 473 HB3 ALA 65 HB3 ALA 65 -0.604 6.442 1.178 474 H GLY 66 HN GLY 66 -0.211 10.370 -0.405 475 HA2 GLY 66 HA2 GLY 66 -3.057 9.955 -0.927 476 HA3 GLY 66 HA1 GLY 66 -2.273 11.497 -0.580 477 H ARG 67 HN ARG 67 -0.467 9.662 -2.714 478 HA ARG 67 HA ARG 67 -1.588 11.137 -5.003 479 HB2 ARG 67 HB2 ARG 67 0.680 11.850 -4.094 480 HB3 ARG 67 HB1 ARG 67 1.288 10.300 -4.655 481 HG2 ARG 67 HG2 ARG 67 0.624 10.892 -6.938 482 HG3 ARG 67 HG1 ARG 67 0.066 12.456 -6.351 483 HD2 ARG 67 HD2 ARG 67 2.388 12.836 -5.487 484 HD3 ARG 67 HD1 ARG 67 2.869 11.385 -6.374 485 HE ARG 67 HE ARG 67 1.556 13.629 -7.700 486 HH11 ARG 67 HH11 ARG 67 4.267 11.372 -7.511 487 HH12 ARG 67 HH12 ARG 67 5.036 11.981 -8.914 488 HH21 ARG 67 HH21 ARG 67 2.613 14.427 -9.622 489 HH22 ARG 67 HH22 ARG 67 4.064 13.743 -10.138 490 H VAL 68 HN VAL 68 -1.479 8.130 -3.735 491 HA VAL 68 HA VAL 68 -0.722 6.794 -6.191 492 HB VAL 68 HB VAL 68 -1.012 4.651 -4.910 493 HG11 VAL 68 HG11 VAL 68 1.165 5.692 -5.118 494 HG12 VAL 68 HG12 VAL 68 0.997 4.936 -3.534 495 HG13 VAL 68 HG13 VAL 68 0.848 6.686 -3.696 496 HG21 VAL 68 HG21 VAL 68 -1.410 6.490 -2.544 497 HG22 VAL 68 HG22 VAL 68 -1.181 4.743 -2.462 498 HG23 VAL 68 HG23 VAL 68 -2.625 5.409 -3.227 499 H ASP 69 HN ASP 69 -2.093 6.482 -7.692 500 HA ASP 69 HA ASP 69 -4.888 6.875 -7.468 501 HB2 ASP 69 HB2 ASP 69 -3.479 7.221 -9.524 502 HB3 ASP 69 HB1 ASP 69 -3.349 5.481 -9.650 503 H THR 70 HN THR 70 -2.982 3.930 -8.068 504 HA THR 70 HA THR 70 -5.272 2.309 -7.156 505 HB THR 70 HB THR 70 -4.448 0.560 -8.687 506 HG1 THR 70 HG1 THR 70 -2.701 2.532 -9.781 507 HG21 THR 70 HG21 THR 70 -4.904 3.230 -10.015 508 HG22 THR 70 HG22 THR 70 -6.167 2.108 -9.501 509 HG23 THR 70 HG23 THR 70 -5.065 1.664 -10.814 510 HA PRO 71 HA PRO 71 -2.547 0.330 -4.205 511 HB2 PRO 71 HB2 PRO 71 -3.409 -2.294 -5.337 512 HB3 PRO 71 HB1 PRO 71 -3.446 -1.728 -3.660 513 HG2 PRO 71 HG2 PRO 71 -5.695 -1.826 -5.013 514 HG3 PRO 71 HG1 PRO 71 -5.340 -0.395 -4.023 515 HD2 PRO 71 HD2 PRO 71 -5.045 -0.753 -6.991 516 HD3 PRO 71 HD1 PRO 71 -5.774 0.598 -6.094 517 H ARG 72 HN ARG 72 -2.348 -0.730 -7.578 518 HA ARG 72 HA ARG 72 0.189 -2.004 -7.194 519 HB2 ARG 72 HB2 ARG 72 0.403 -2.101 -9.651 520 HB3 ARG 72 HB1 ARG 72 -1.154 -2.702 -9.112 521 HG2 ARG 72 HG2 ARG 72 -2.234 -0.686 -9.810 522 HG3 ARG 72 HG1 ARG 72 -0.682 0.055 -10.196 523 HD2 ARG 72 HD2 ARG 72 -1.807 -0.720 -12.201 524 HD3 ARG 72 HD1 ARG 72 -0.310 -1.604 -11.935 525 HE ARG 72 HE ARG 72 -1.667 -3.460 -11.139 526 HH11 ARG 72 HH11 ARG 72 -3.293 -0.936 -13.013 527 HH12 ARG 72 HH12 ARG 72 -4.552 -1.919 -13.573 528 HH21 ARG 72 HH21 ARG 72 -3.388 -4.884 -11.881 529 HH22 ARG 72 HH22 ARG 72 -4.561 -4.307 -12.930 530 H GLU 73 HN GLU 73 -0.841 1.213 -7.782 531 HA GLU 73 HA GLU 73 1.614 2.335 -8.640 532 HB2 GLU 73 HB2 GLU 73 -0.764 3.350 -8.608 533 HB3 GLU 73 HB1 GLU 73 -0.456 3.696 -6.918 534 HG2 GLU 73 HG2 GLU 73 -0.025 5.648 -8.190 535 HG3 GLU 73 HG1 GLU 73 1.519 5.012 -7.611 536 H LEU 74 HN LEU 74 0.064 1.814 -5.549 537 HA LEU 74 HA LEU 74 2.081 2.918 -3.884 538 HB2 LEU 74 HB2 LEU 74 -0.360 2.579 -3.315 539 HB3 LEU 74 HB1 LEU 74 -0.066 0.867 -3.230 540 HG LEU 74 HG LEU 74 -0.317 2.028 -1.032 541 HD11 LEU 74 HD11 LEU 74 1.533 0.935 0.104 542 HD12 LEU 74 HD12 LEU 74 2.324 0.673 -1.450 543 HD13 LEU 74 HD13 LEU 74 0.780 -0.108 -1.103 544 HD21 LEU 74 HD21 LEU 74 2.339 3.265 -1.737 545 HD22 LEU 74 HD22 LEU 74 1.552 3.339 -0.157 546 HD23 LEU 74 HD23 LEU 74 0.800 4.109 -1.554 547 H LEU 75 HN LEU 75 1.369 -0.299 -5.085 548 HA LEU 75 HA LEU 75 3.249 -1.892 -3.814 549 HB2 LEU 75 HB2 LEU 75 1.479 -2.734 -5.254 550 HB3 LEU 75 HB1 LEU 75 2.205 -1.966 -6.644 551 HG LEU 75 HG LEU 75 4.166 -3.522 -6.355 552 HD11 LEU 75 HD11 LEU 75 3.821 -4.105 -4.030 553 HD12 LEU 75 HD12 LEU 75 3.816 -5.544 -5.051 554 HD13 LEU 75 HD13 LEU 75 2.297 -4.890 -4.437 555 HD21 LEU 75 HD21 LEU 75 2.449 -3.890 -8.033 556 HD22 LEU 75 HD22 LEU 75 1.464 -4.749 -6.846 557 HD23 LEU 75 HD23 LEU 75 3.012 -5.420 -7.359 558 H ASP 76 HN ASP 76 3.550 -0.206 -6.936 559 HA ASP 76 HA ASP 76 6.227 -0.887 -7.459 560 HB2 ASP 76 HB2 ASP 76 4.699 -0.045 -9.192 561 HB3 ASP 76 HB1 ASP 76 4.724 1.546 -8.435 562 H LEU 77 HN LEU 77 4.841 1.867 -5.847 563 HA LEU 77 HA LEU 77 7.009 3.564 -5.516 564 HB2 LEU 77 HB2 LEU 77 4.618 4.008 -4.902 565 HB3 LEU 77 HB1 LEU 77 4.803 2.960 -3.526 566 HG LEU 77 HG LEU 77 6.302 5.581 -3.859 567 HD11 LEU 77 HD11 LEU 77 3.908 5.954 -3.799 568 HD12 LEU 77 HD12 LEU 77 4.657 6.484 -2.292 569 HD13 LEU 77 HD13 LEU 77 3.775 4.957 -2.350 570 HD21 LEU 77 HD21 LEU 77 6.663 5.417 -1.425 571 HD22 LEU 77 HD22 LEU 77 7.352 4.015 -2.232 572 HD23 LEU 77 HD23 LEU 77 5.813 3.874 -1.391 573 H ILE 78 HN ILE 78 5.924 0.955 -3.402 574 HA ILE 78 HA ILE 78 8.174 1.288 -1.677 575 HB ILE 78 HB ILE 78 6.195 -1.013 -1.695 576 HG12 ILE 78 HG12 ILE 78 6.130 1.608 -0.186 577 HG13 ILE 78 HG11 ILE 78 5.108 1.204 -1.559 578 HG21 ILE 78 HG21 ILE 78 8.257 -1.408 -0.389 579 HG22 ILE 78 HG22 ILE 78 6.858 -1.221 0.674 580 HG23 ILE 78 HG23 ILE 78 7.998 0.108 0.476 581 HD11 ILE 78 HD11 ILE 78 3.925 0.971 0.533 582 HD12 ILE 78 HD12 ILE 78 5.127 -0.191 1.097 583 HD13 ILE 78 HD13 ILE 78 4.093 -0.584 -0.276 584 H ASN 79 HN ASN 79 7.351 -0.819 -4.352 585 HA ASN 79 HA ASN 79 9.464 -2.668 -4.012 586 HB2 ASN 79 HB2 ASN 79 7.854 -1.855 -6.407 587 HB3 ASN 79 HB1 ASN 79 9.301 -2.816 -6.644 588 HD21 ASN 79 HD21 ASN 79 7.048 -3.132 -3.917 589 HD22 ASN 79 HD22 ASN 79 6.503 -4.717 -4.379 590 H GLY 80 HN GLY 80 9.350 0.451 -5.631 591 HA2 GLY 80 HA2 GLY 80 11.981 0.404 -6.640 592 HA3 GLY 80 HA1 GLY 80 11.042 1.853 -6.282 593 H ALA 81 HN ALA 81 10.641 1.583 -3.596 594 HA ALA 81 HA ALA 81 13.035 2.594 -2.499 595 HB1 ALA 81 HB1 ALA 81 10.605 1.547 -1.033 596 HB2 ALA 81 HB2 ALA 81 10.799 3.186 -1.648 597 HB3 ALA 81 HB3 ALA 81 11.851 2.598 -0.361 598 H LEU 82 HN LEU 82 11.455 -0.538 -2.165 599 HA LEU 82 HA LEU 82 13.136 -1.695 -0.264 600 HB2 LEU 82 HB2 LEU 82 11.421 -2.893 -2.394 601 HB3 LEU 82 HB1 LEU 82 12.348 -3.876 -1.283 602 HG LEU 82 HG LEU 82 10.206 -1.913 -0.475 603 HD11 LEU 82 HD11 LEU 82 10.195 -4.923 -0.653 604 HD12 LEU 82 HD12 LEU 82 9.321 -3.820 -1.718 605 HD13 LEU 82 HD13 LEU 82 8.897 -3.917 -0.010 606 HD21 LEU 82 HD21 LEU 82 10.413 -3.003 1.697 607 HD22 LEU 82 HD22 LEU 82 11.932 -2.247 1.212 608 HD23 LEU 82 HD23 LEU 82 11.734 -3.995 1.076 609 H ALA 83 HN ALA 83 13.650 -1.250 -3.640 610 HA ALA 83 HA ALA 83 15.590 -3.271 -4.032 611 HB1 ALA 83 HB1 ALA 83 14.414 -2.174 -5.888 612 HB2 ALA 83 HB2 ALA 83 16.166 -2.075 -6.076 613 HB3 ALA 83 HB3 ALA 83 15.256 -0.668 -5.522 614 H GLU 84 HN GLU 84 15.725 -0.239 -2.418 615 HA GLU 84 HA GLU 84 18.648 -0.456 -2.275 616 HB2 GLU 84 HB2 GLU 84 17.737 1.469 -3.642 617 HB3 GLU 84 HB1 GLU 84 17.013 2.079 -2.166 618 HG2 GLU 84 HG2 GLU 84 19.244 2.286 -1.182 619 HG3 GLU 84 HG1 GLU 84 19.949 1.713 -2.697 620 H ALA 85 HN ALA 85 16.342 -1.487 -0.673 621 HA ALA 85 HA ALA 85 16.899 -0.176 1.883 622 HB1 ALA 85 HB1 ALA 85 14.812 -1.199 2.675 623 HB2 ALA 85 HB2 ALA 85 14.573 -1.932 1.088 624 HB3 ALA 85 HB3 ALA 85 14.524 -0.177 1.264 625 H ALA 86 HN ALA 86 17.969 -1.295 3.333 626 HA ALA 86 HA ALA 86 18.694 -4.054 2.679 627 HB1 ALA 86 HB1 ALA 86 20.617 -3.717 4.167 628 HB2 ALA 86 HB2 ALA 86 20.045 -2.094 4.543 629 HB3 ALA 86 HB3 ALA 86 20.568 -2.486 2.906 630 H28 SXV 87 H28A SXV 87 -5.251 14.679 0.563 631 H28A SXV 87 H28B SXV 87 -5.879 14.932 2.185 632 H30 SXV 87 H30C SXV 87 -4.405 15.202 4.068 633 H30A SXV 87 H30A SXV 87 -2.660 15.015 3.898 634 H30B SXV 87 H30B SXV 87 -3.716 13.614 3.723 635 H31 SXV 87 H31C SXV 87 -2.580 13.180 1.680 636 H31A SXV 87 H31A SXV 87 -1.653 14.666 1.546 637 H31B SXV 87 H31B SXV 87 -2.784 14.182 0.260 638 H32 SXV 87 H32A SXV 87 -2.638 16.862 1.968 639 HO33 SXV 87 H33A SXV 87 -4.942 17.826 2.064 640 HN36 SXV 87 H36A SXV 87 -2.533 16.027 -0.469 641 H37 SXV 87 H37B SXV 87 -4.543 17.459 -2.034 642 H37A SXV 87 H37A SXV 87 -4.006 15.852 -2.497 643 H38 SXV 87 H38B SXV 87 -2.263 18.302 -2.293 644 H38A SXV 87 H38A SXV 87 -2.935 17.644 -3.790 645 HN41 SXV 87 H41A SXV 87 -0.706 17.822 -4.326 646 H42 SXV 87 H42B SXV 87 0.539 15.490 -4.888 647 H42A SXV 87 H42A SXV 87 1.253 15.975 -3.353 648 H43 SXV 87 H43B SXV 87 1.172 17.656 -5.854 649 H43A SXV 87 H43A SXV 87 1.939 18.104 -4.334 650 H1 SXV 87 H1B SXV 87 4.276 18.603 -5.523 651 H1A SXV 87 H1A SXV 87 5.057 17.488 -6.656 652 H2 SXV 87 H2A SXV 87 4.022 19.334 -7.789 653 H2A SXV 87 H2B SXV 87 2.437 18.826 -7.205 654 H4 SXV 87 H4C SXV 87 3.846 18.836 -10.291 655 H4A SXV 87 H4A SXV 87 3.896 17.113 -10.678 656 H4B SXV 87 H4B SXV 87 5.156 17.829 -9.662 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 18.925 -12.455 -1.466 2 H2 MET 1 HT2 MET 1 17.387 -11.837 -1.813 3 H3 MET 1 HT3 MET 1 18.187 -11.356 -0.424 4 HA MET 1 HA MET 1 19.810 -10.193 -1.547 5 HB2 MET 1 HB2 MET 1 20.142 -11.578 -3.503 6 HB3 MET 1 HB1 MET 1 18.511 -11.258 -4.069 7 HG2 MET 1 HG2 MET 1 20.188 -10.031 -5.354 8 HG3 MET 1 HG1 MET 1 19.075 -8.953 -4.520 9 HE1 MET 1 HE1 MET 1 22.199 -10.916 -3.037 10 HE2 MET 1 HE2 MET 1 23.454 -9.687 -3.191 11 HE3 MET 1 HE3 MET 1 22.739 -10.404 -4.637 12 H ALA 2 HN ALA 2 16.726 -10.146 -3.406 13 HA ALA 2 HA ALA 2 16.124 -7.662 -2.024 14 HB1 ALA 2 HB1 ALA 2 15.384 -6.630 -4.115 15 HB2 ALA 2 HB2 ALA 2 15.894 -8.064 -5.010 16 HB3 ALA 2 HB3 ALA 2 17.094 -7.058 -4.201 17 H THR 3 HN THR 3 14.586 -8.616 -0.801 18 HA THR 3 HA THR 3 12.533 -10.216 -1.981 19 HB THR 3 HB THR 3 11.686 -9.879 0.503 20 HG1 THR 3 HG1 THR 3 12.971 -8.478 1.440 21 HG21 THR 3 HG21 THR 3 12.541 -11.993 -0.417 22 HG22 THR 3 HG22 THR 3 13.145 -11.731 1.218 23 HG23 THR 3 HG23 THR 3 14.195 -11.435 -0.166 24 H LEU 4 HN LEU 4 11.118 -9.154 -3.191 25 HA LEU 4 HA LEU 4 10.153 -6.505 -2.371 26 HB2 LEU 4 HB2 LEU 4 9.824 -7.913 -5.028 27 HB3 LEU 4 HB1 LEU 4 9.423 -6.251 -4.664 28 HG LEU 4 HG LEU 4 12.218 -7.395 -4.798 29 HD11 LEU 4 HD11 LEU 4 12.430 -6.062 -6.832 30 HD12 LEU 4 HD12 LEU 4 10.734 -5.591 -6.694 31 HD13 LEU 4 HD13 LEU 4 11.160 -7.279 -6.978 32 HD21 LEU 4 HD21 LEU 4 12.060 -5.543 -3.211 33 HD22 LEU 4 HD22 LEU 4 11.282 -4.548 -4.443 34 HD23 LEU 4 HD23 LEU 4 12.953 -5.066 -4.655 35 H LEU 5 HN LEU 5 8.062 -6.406 -1.684 36 HA LEU 5 HA LEU 5 6.660 -8.825 -1.431 37 HB2 LEU 5 HB2 LEU 5 4.778 -7.459 -0.469 38 HB3 LEU 5 HB1 LEU 5 6.298 -7.369 0.372 39 HG LEU 5 HG LEU 5 6.644 -5.092 -0.679 40 HD11 LEU 5 HD11 LEU 5 5.115 -5.303 -2.571 41 HD12 LEU 5 HD12 LEU 5 4.699 -3.923 -1.551 42 HD13 LEU 5 HD13 LEU 5 3.753 -5.407 -1.458 43 HD21 LEU 5 HD21 LEU 5 4.219 -5.527 1.028 44 HD22 LEU 5 HD22 LEU 5 5.067 -3.989 0.834 45 HD23 LEU 5 HD23 LEU 5 5.883 -5.371 1.588 46 H THR 6 HN THR 6 5.005 -9.685 -2.408 47 HA THR 6 HA THR 6 4.471 -8.660 -5.042 48 HB THR 6 HB THR 6 3.576 -10.980 -5.379 49 HG1 THR 6 HG1 THR 6 3.296 -12.131 -3.755 50 HG21 THR 6 HG21 THR 6 5.896 -10.411 -5.980 51 HG22 THR 6 HG22 THR 6 5.789 -12.064 -5.373 52 HG23 THR 6 HG23 THR 6 6.413 -10.783 -4.335 53 H THR 7 HN THR 7 1.984 -9.851 -5.586 54 HA THR 7 HA THR 7 0.210 -7.914 -4.642 55 HB THR 7 HB THR 7 -1.572 -9.383 -5.625 56 HG1 THR 7 HG1 THR 7 -1.162 -11.386 -6.062 57 HG21 THR 7 HG21 THR 7 -0.402 -7.753 -6.992 58 HG22 THR 7 HG22 THR 7 -0.768 -9.198 -7.935 59 HG23 THR 7 HG23 THR 7 0.873 -8.924 -7.337 60 H ASP 8 HN ASP 8 0.671 -11.252 -3.669 61 HA ASP 8 HA ASP 8 -1.523 -11.379 -1.905 62 HB2 ASP 8 HB2 ASP 8 0.982 -13.067 -1.998 63 HB3 ASP 8 HB1 ASP 8 -0.379 -13.392 -0.933 64 H ASP 9 HN ASP 9 1.842 -10.518 -1.410 65 HA ASP 9 HA ASP 9 1.572 -10.383 1.436 66 HB2 ASP 9 HB2 ASP 9 3.807 -10.610 0.192 67 HB3 ASP 9 HB1 ASP 9 3.659 -8.891 -0.140 68 H LEU 10 HN LEU 10 1.494 -8.043 -1.200 69 HA LEU 10 HA LEU 10 1.193 -5.726 0.336 70 HB2 LEU 10 HB2 LEU 10 1.667 -5.716 -2.084 71 HB3 LEU 10 HB1 LEU 10 0.049 -6.314 -2.398 72 HG LEU 10 HG LEU 10 -0.863 -4.232 -1.393 73 HD11 LEU 10 HD11 LEU 10 0.621 -2.314 -1.100 74 HD12 LEU 10 HD12 LEU 10 2.013 -3.355 -1.404 75 HD13 LEU 10 HD13 LEU 10 1.001 -3.627 0.014 76 HD21 LEU 10 HD21 LEU 10 -0.655 -4.459 -3.804 77 HD22 LEU 10 HD22 LEU 10 1.004 -3.864 -3.729 78 HD23 LEU 10 HD23 LEU 10 -0.337 -2.797 -3.307 79 H ARG 11 HN ARG 11 -1.164 -8.029 -0.881 80 HA ARG 11 HA ARG 11 -3.507 -6.742 -0.076 81 HB2 ARG 11 HB2 ARG 11 -3.465 -8.747 -1.502 82 HB3 ARG 11 HB1 ARG 11 -2.919 -9.704 -0.136 83 HG2 ARG 11 HG2 ARG 11 -5.030 -9.251 1.020 84 HG3 ARG 11 HG1 ARG 11 -5.578 -8.306 -0.370 85 HD2 ARG 11 HD2 ARG 11 -4.853 -11.233 -0.376 86 HD3 ARG 11 HD1 ARG 11 -6.486 -10.564 -0.451 87 HE ARG 11 HE ARG 11 -5.890 -9.580 -2.565 88 HH11 ARG 11 HH11 ARG 11 -4.020 -12.353 -1.424 89 HH12 ARG 11 HH12 ARG 11 -3.345 -12.777 -2.910 90 HH21 ARG 11 HH21 ARG 11 -5.019 -10.154 -4.733 91 HH22 ARG 11 HH22 ARG 11 -3.955 -11.469 -4.879 92 H ARG 12 HN ARG 12 -1.520 -9.128 1.642 93 HA ARG 12 HA ARG 12 -2.964 -9.191 4.071 94 HB2 ARG 12 HB2 ARG 12 0.031 -9.475 3.771 95 HB3 ARG 12 HB1 ARG 12 -0.935 -10.035 5.120 96 HG2 ARG 12 HG2 ARG 12 -1.999 -11.687 3.673 97 HG3 ARG 12 HG1 ARG 12 -1.037 -11.103 2.305 98 HD2 ARG 12 HD2 ARG 12 1.003 -11.566 3.694 99 HD3 ARG 12 HD1 ARG 12 -0.051 -12.369 4.845 100 HE ARG 12 HE ARG 12 -0.601 -13.617 2.511 101 HH11 ARG 12 HH11 ARG 12 2.392 -12.867 4.196 102 HH12 ARG 12 HH12 ARG 12 3.255 -14.254 3.707 103 HH21 ARG 12 HH21 ARG 12 0.546 -15.594 1.773 104 HH22 ARG 12 HH22 ARG 12 2.163 -15.840 2.270 105 H ALA 13 HN ALA 13 -0.279 -7.213 2.990 106 HA ALA 13 HA ALA 13 0.230 -5.751 5.314 107 HB1 ALA 13 HB1 ALA 13 1.769 -5.871 3.433 108 HB2 ALA 13 HB2 ALA 13 1.382 -4.192 3.844 109 HB3 ALA 13 HB3 ALA 13 0.632 -4.953 2.445 110 H LEU 14 HN LEU 14 -1.919 -5.091 2.598 111 HA LEU 14 HA LEU 14 -2.677 -2.534 3.561 112 HB2 LEU 14 HB2 LEU 14 -2.845 -3.374 1.174 113 HB3 LEU 14 HB1 LEU 14 -4.246 -4.295 1.679 114 HG LEU 14 HG LEU 14 -5.395 -2.189 2.278 115 HD11 LEU 14 HD11 LEU 14 -2.958 -0.886 1.071 116 HD12 LEU 14 HD12 LEU 14 -3.428 -0.836 2.771 117 HD13 LEU 14 HD13 LEU 14 -4.440 -0.058 1.553 118 HD21 LEU 14 HD21 LEU 14 -5.715 -3.178 0.081 119 HD22 LEU 14 HD22 LEU 14 -4.315 -2.298 -0.535 120 HD23 LEU 14 HD23 LEU 14 -5.756 -1.419 -0.015 121 H VAL 15 HN VAL 15 -3.829 -5.796 4.053 122 HA VAL 15 HA VAL 15 -6.186 -4.987 5.427 123 HB VAL 15 HB VAL 15 -4.806 -7.707 5.524 124 HG11 VAL 15 HG11 VAL 15 -6.300 -7.399 7.424 125 HG12 VAL 15 HG12 VAL 15 -6.961 -8.582 6.295 126 HG13 VAL 15 HG13 VAL 15 -7.612 -6.942 6.338 127 HG21 VAL 15 HG21 VAL 15 -7.135 -6.770 3.856 128 HG22 VAL 15 HG22 VAL 15 -6.513 -8.419 3.926 129 HG23 VAL 15 HG23 VAL 15 -5.509 -7.123 3.271 130 H GLU 16 HN GLU 16 -2.875 -5.232 6.314 131 HA GLU 16 HA GLU 16 -3.057 -5.613 9.088 132 HB2 GLU 16 HB2 GLU 16 -0.997 -4.027 7.514 133 HB3 GLU 16 HB1 GLU 16 -0.892 -4.322 9.234 134 HG2 GLU 16 HG2 GLU 16 -0.782 -6.727 8.824 135 HG3 GLU 16 HG1 GLU 16 -0.888 -6.435 7.089 136 H SER 17 HN SER 17 -3.646 -2.796 7.150 137 HA SER 17 HA SER 17 -4.089 -1.249 9.580 138 HB2 SER 17 HB2 SER 17 -2.620 -0.257 7.857 139 HB3 SER 17 HB1 SER 17 -3.962 -0.298 6.712 140 HG SER 17 HG SER 17 -5.081 1.121 8.025 141 H ALA 18 HN ALA 18 -5.775 -3.042 7.281 142 HA ALA 18 HA ALA 18 -8.155 -1.401 7.282 143 HB1 ALA 18 HB1 ALA 18 -7.476 -2.671 5.275 144 HB2 ALA 18 HB2 ALA 18 -9.109 -3.054 5.820 145 HB3 ALA 18 HB3 ALA 18 -7.786 -4.169 6.155 146 H GLY 19 HN GLY 19 -6.930 -4.198 8.936 147 HA2 GLY 19 HA2 GLY 19 -7.752 -5.154 10.877 148 HA3 GLY 19 HA1 GLY 19 -9.176 -4.114 10.762 149 H GLU 20 HN GLU 20 -10.983 -4.885 9.901 150 HA GLU 20 HA GLU 20 -10.902 -7.605 8.845 151 HB2 GLU 20 HB2 GLU 20 -13.154 -5.947 9.984 152 HB3 GLU 20 HB1 GLU 20 -13.445 -7.419 9.080 153 HG2 GLU 20 HG2 GLU 20 -13.577 -7.899 11.409 154 HG3 GLU 20 HG1 GLU 20 -12.132 -8.659 10.760 155 H THR 21 HN THR 21 -11.425 -7.994 6.768 156 HA THR 21 HA THR 21 -12.160 -5.660 5.201 157 HB THR 21 HB THR 21 -11.511 -7.111 3.214 158 HG1 THR 21 HG1 THR 21 -10.898 -9.055 3.530 159 HG21 THR 21 HG21 THR 21 -10.019 -5.394 4.091 160 HG22 THR 21 HG22 THR 21 -9.094 -6.802 3.566 161 HG23 THR 21 HG23 THR 21 -9.389 -6.532 5.283 162 H ASP 22 HN ASP 22 -14.299 -5.821 6.074 163 HA ASP 22 HA ASP 22 -15.893 -8.117 5.334 164 HB2 ASP 22 HB2 ASP 22 -17.738 -7.110 6.516 165 HB3 ASP 22 HB1 ASP 22 -16.303 -6.906 7.507 166 H GLY 23 HN GLY 23 -15.422 -4.816 4.313 167 HA2 GLY 23 HA2 GLY 23 -17.087 -5.426 1.953 168 HA3 GLY 23 HA1 GLY 23 -17.091 -3.841 2.725 169 H THR 24 HN THR 24 -14.428 -6.020 2.043 170 HA THR 24 HA THR 24 -13.239 -3.928 0.365 171 HB THR 24 HB THR 24 -11.667 -5.557 2.365 172 HG1 THR 24 HG1 THR 24 -12.752 -2.922 2.747 173 HG21 THR 24 HG21 THR 24 -10.422 -4.492 0.518 174 HG22 THR 24 HG22 THR 24 -10.010 -3.781 2.077 175 HG23 THR 24 HG23 THR 24 -11.098 -2.927 0.983 176 H ASP 25 HN ASP 25 -13.893 -5.347 -1.432 177 HA ASP 25 HA ASP 25 -12.815 -8.008 -1.589 178 HB2 ASP 25 HB2 ASP 25 -13.986 -6.209 -3.723 179 HB3 ASP 25 HB1 ASP 25 -13.279 -7.771 -4.106 180 H LEU 26 HN LEU 26 -10.780 -7.999 -1.219 181 HA LEU 26 HA LEU 26 -8.970 -6.384 -2.917 182 HB2 LEU 26 HB2 LEU 26 -9.201 -5.852 -0.465 183 HB3 LEU 26 HB1 LEU 26 -8.564 -7.441 -0.125 184 HG LEU 26 HG LEU 26 -6.479 -6.749 -1.344 185 HD11 LEU 26 HD11 LEU 26 -7.447 -4.925 -2.620 186 HD12 LEU 26 HD12 LEU 26 -6.114 -4.358 -1.617 187 HD13 LEU 26 HD13 LEU 26 -7.784 -4.047 -1.129 188 HD21 LEU 26 HD21 LEU 26 -7.309 -5.180 1.080 189 HD22 LEU 26 HD22 LEU 26 -5.642 -5.481 0.559 190 HD23 LEU 26 HD23 LEU 26 -6.679 -6.825 1.062 191 H SER 27 HN SER 27 -10.216 -9.286 -2.580 192 HA SER 27 HA SER 27 -8.036 -11.035 -2.054 193 HB2 SER 27 HB2 SER 27 -10.760 -11.717 -3.128 194 HB3 SER 27 HB1 SER 27 -9.650 -12.773 -2.251 195 HG SER 27 HG SER 27 -9.824 -11.074 -0.546 196 H GLY 28 HN GLY 28 -8.349 -9.372 -4.765 197 HA2 GLY 28 HA2 GLY 28 -7.136 -11.525 -6.319 198 HA3 GLY 28 HA1 GLY 28 -8.645 -10.892 -6.942 199 H ASP 29 HN ASP 29 -8.586 -9.209 -8.220 200 HA ASP 29 HA ASP 29 -5.946 -8.271 -9.068 201 HB2 ASP 29 HB2 ASP 29 -8.666 -8.077 -10.388 202 HB3 ASP 29 HB1 ASP 29 -7.168 -7.485 -11.090 203 H PHE 30 HN PHE 30 -6.339 -7.135 -6.862 204 HA PHE 30 HA PHE 30 -8.025 -4.820 -6.849 205 HB2 PHE 30 HB2 PHE 30 -7.136 -4.400 -4.632 206 HB3 PHE 30 HB1 PHE 30 -7.563 -6.094 -4.801 207 HD1 PHE 30 HD2 PHE 30 -5.692 -7.770 -5.179 208 HD2 PHE 30 HD1 PHE 30 -4.953 -3.753 -3.995 209 HE1 PHE 30 HE2 PHE 30 -3.440 -8.408 -4.428 210 HE2 PHE 30 HE1 PHE 30 -2.697 -4.390 -3.241 211 HZ PHE 30 HZ PHE 30 -1.961 -6.684 -3.376 212 H LEU 31 HN LEU 31 -5.178 -5.336 -8.329 213 HA LEU 31 HA LEU 31 -3.751 -2.936 -7.584 214 HB2 LEU 31 HB2 LEU 31 -3.265 -4.739 -9.958 215 HB3 LEU 31 HB1 LEU 31 -2.210 -3.481 -9.383 216 HG LEU 31 HG LEU 31 -1.212 -5.469 -8.773 217 HD11 LEU 31 HD11 LEU 31 -1.095 -3.874 -7.018 218 HD12 LEU 31 HD12 LEU 31 -1.186 -5.502 -6.344 219 HD13 LEU 31 HD13 LEU 31 -2.609 -4.462 -6.332 220 HD21 LEU 31 HD21 LEU 31 -2.281 -7.329 -7.642 221 HD22 LEU 31 HD22 LEU 31 -3.126 -6.933 -9.146 222 HD23 LEU 31 HD23 LEU 31 -3.808 -6.447 -7.593 223 H ASP 32 HN ASP 32 -6.167 -3.791 -9.837 224 HA ASP 32 HA ASP 32 -5.400 -1.727 -11.755 225 HB2 ASP 32 HB2 ASP 32 -5.954 -4.127 -12.369 226 HB3 ASP 32 HB1 ASP 32 -7.627 -3.738 -11.997 227 H LEU 33 HN LEU 33 -7.276 -1.847 -9.058 228 HA LEU 33 HA LEU 33 -9.261 -0.050 -10.201 229 HB2 LEU 33 HB2 LEU 33 -10.670 -0.652 -8.180 230 HB3 LEU 33 HB1 LEU 33 -10.470 -1.868 -9.414 231 HG LEU 33 HG LEU 33 -8.735 -2.953 -7.935 232 HD11 LEU 33 HD11 LEU 33 -8.183 -1.085 -6.498 233 HD12 LEU 33 HD12 LEU 33 -8.769 -2.455 -5.557 234 HD13 LEU 33 HD13 LEU 33 -9.826 -1.073 -5.854 235 HD21 LEU 33 HD21 LEU 33 -10.392 -3.985 -6.482 236 HD22 LEU 33 HD22 LEU 33 -10.974 -3.806 -8.139 237 HD23 LEU 33 HD23 LEU 33 -11.532 -2.702 -6.882 238 H ARG 34 HN ARG 34 -10.286 1.276 -8.133 239 HA ARG 34 HA ARG 34 -8.067 2.999 -7.323 240 HB2 ARG 34 HB2 ARG 34 -11.074 3.308 -7.184 241 HB3 ARG 34 HB1 ARG 34 -9.917 4.513 -6.647 242 HG2 ARG 34 HG2 ARG 34 -10.119 3.510 -9.467 243 HG3 ARG 34 HG1 ARG 34 -10.942 4.949 -8.857 244 HD2 ARG 34 HD2 ARG 34 -7.974 4.495 -8.783 245 HD3 ARG 34 HD1 ARG 34 -8.817 5.435 -10.011 246 HE ARG 34 HE ARG 34 -9.521 6.410 -7.488 247 HH11 ARG 34 HH11 ARG 34 -6.836 6.345 -9.747 248 HH12 ARG 34 HH12 ARG 34 -6.065 7.737 -9.128 249 HH21 ARG 34 HH21 ARG 34 -8.492 8.323 -6.600 250 HH22 ARG 34 HH22 ARG 34 -7.027 8.887 -7.248 251 H PHE 35 HN PHE 35 -8.072 3.704 -5.058 252 HA PHE 35 HA PHE 35 -8.564 1.560 -3.263 253 HB2 PHE 35 HB2 PHE 35 -7.903 4.466 -2.738 254 HB3 PHE 35 HB1 PHE 35 -7.972 3.224 -1.490 255 HD1 PHE 35 HD2 PHE 35 -6.338 1.319 -1.567 256 HD2 PHE 35 HD1 PHE 35 -6.032 4.729 -4.098 257 HE1 PHE 35 HE2 PHE 35 -4.002 0.763 -2.036 258 HE2 PHE 35 HE1 PHE 35 -3.685 4.169 -4.564 259 HZ PHE 35 HZ PHE 35 -2.666 2.156 -3.464 260 H GLU 36 HN GLU 36 -10.260 4.305 -4.355 261 HA GLU 36 HA GLU 36 -12.426 4.585 -2.705 262 HB2 GLU 36 HB2 GLU 36 -11.991 5.968 -4.644 263 HB3 GLU 36 HB1 GLU 36 -12.260 4.603 -5.713 264 HG2 GLU 36 HG2 GLU 36 -14.595 4.540 -5.046 265 HG3 GLU 36 HG1 GLU 36 -14.320 5.907 -3.962 266 H ASP 37 HN ASP 37 -11.839 2.098 -5.191 267 HA ASP 37 HA ASP 37 -14.416 0.937 -5.155 268 HB2 ASP 37 HB2 ASP 37 -11.754 -0.235 -6.000 269 HB3 ASP 37 HB1 ASP 37 -13.292 -1.059 -6.208 270 H ILE 38 HN ILE 38 -11.557 0.420 -3.246 271 HA ILE 38 HA ILE 38 -12.866 -1.812 -1.886 272 HB ILE 38 HB ILE 38 -10.676 -2.250 -0.788 273 HG12 ILE 38 HG12 ILE 38 -9.677 -0.064 -2.646 274 HG13 ILE 38 HG11 ILE 38 -9.745 0.007 -0.890 275 HG21 ILE 38 HG21 ILE 38 -10.659 -2.177 -3.783 276 HG22 ILE 38 HG22 ILE 38 -11.322 -3.458 -2.755 277 HG23 ILE 38 HG23 ILE 38 -9.577 -3.145 -2.771 278 HD11 ILE 38 HD11 ILE 38 -8.083 -1.750 -0.740 279 HD12 ILE 38 HD12 ILE 38 -7.488 -0.397 -1.702 280 HD13 ILE 38 HD13 ILE 38 -8.037 -1.872 -2.498 281 H GLY 39 HN GLY 39 -13.231 1.174 -1.602 282 HA2 GLY 39 HA2 GLY 39 -13.876 2.634 0.067 283 HA3 GLY 39 HA1 GLY 39 -14.089 1.212 1.071 284 H TYR 40 HN TYR 40 -11.107 2.416 -0.349 285 HA TYR 40 HA TYR 40 -9.997 2.655 2.358 286 HB2 TYR 40 HB2 TYR 40 -9.204 1.050 0.235 287 HB3 TYR 40 HB1 TYR 40 -8.094 2.412 0.174 288 HD1 TYR 40 HD1 TYR 40 -6.662 2.911 2.141 289 HD2 TYR 40 HD2 TYR 40 -9.093 -0.551 1.917 290 HE1 TYR 40 HE1 TYR 40 -5.365 1.906 3.962 291 HE2 TYR 40 HE2 TYR 40 -7.833 -1.584 3.734 292 HH TYR 40 HH TYR 40 -5.545 -1.353 4.790 293 H ASP 41 HN ASP 41 -9.123 4.583 2.869 294 HA ASP 41 HA ASP 41 -8.958 6.562 0.730 295 HB2 ASP 41 HB2 ASP 41 -9.663 6.874 3.617 296 HB3 ASP 41 HB1 ASP 41 -8.916 8.219 2.764 297 H SER 42 HN SER 42 -7.458 8.311 1.114 298 HA SER 42 HA SER 42 -4.833 7.507 0.851 299 HB2 SER 42 HB2 SER 42 -4.552 10.055 1.206 300 HB3 SER 42 HB1 SER 42 -5.553 9.499 -0.149 301 H LEU 43 HN LEU 43 -6.557 8.896 3.492 302 HA LEU 43 HA LEU 43 -4.545 9.284 5.362 303 HB2 LEU 43 HB2 LEU 43 -7.428 8.563 5.786 304 HB3 LEU 43 HB1 LEU 43 -6.359 9.164 7.032 305 HG LEU 43 HG LEU 43 -7.198 10.674 4.558 306 HD11 LEU 43 HD11 LEU 43 -9.001 10.438 6.167 307 HD12 LEU 43 HD12 LEU 43 -8.413 12.100 6.108 308 HD13 LEU 43 HD13 LEU 43 -7.953 11.051 7.449 309 HD21 LEU 43 HD21 LEU 43 -4.941 11.263 5.251 310 HD22 LEU 43 HD22 LEU 43 -5.501 11.531 6.901 311 HD23 LEU 43 HD23 LEU 43 -6.061 12.582 5.598 312 H ALA 44 HN ALA 44 -6.482 6.355 4.760 313 HA ALA 44 HA ALA 44 -5.250 4.916 6.918 314 HB1 ALA 44 HB1 ALA 44 -6.521 3.002 6.101 315 HB2 ALA 44 HB2 ALA 44 -6.957 3.905 4.649 316 HB3 ALA 44 HB3 ALA 44 -7.549 4.432 6.226 317 H LEU 45 HN LEU 45 -4.730 5.363 3.539 318 HA LEU 45 HA LEU 45 -2.929 3.253 3.101 319 HB2 LEU 45 HB2 LEU 45 -3.105 5.964 1.803 320 HB3 LEU 45 HB1 LEU 45 -2.067 4.671 1.233 321 HG LEU 45 HG LEU 45 -5.072 4.539 1.384 322 HD11 LEU 45 HD11 LEU 45 -3.230 4.861 -0.973 323 HD12 LEU 45 HD12 LEU 45 -4.302 6.101 -0.323 324 HD13 LEU 45 HD13 LEU 45 -4.976 4.644 -1.048 325 HD21 LEU 45 HD21 LEU 45 -4.788 2.469 0.117 326 HD22 LEU 45 HD22 LEU 45 -3.998 2.379 1.691 327 HD23 LEU 45 HD23 LEU 45 -3.037 2.638 0.236 328 H MET 46 HN MET 46 -2.511 6.488 4.351 329 HA MET 46 HA MET 46 0.305 6.476 4.604 330 HB2 MET 46 HB2 MET 46 -1.765 7.840 6.321 331 HB3 MET 46 HB1 MET 46 -0.040 8.116 6.455 332 HG2 MET 46 HG2 MET 46 -0.004 8.997 4.180 333 HG3 MET 46 HG1 MET 46 -1.735 8.680 4.051 334 HE1 MET 46 HE1 MET 46 -2.010 11.232 3.334 335 HE2 MET 46 HE2 MET 46 -0.289 11.519 3.592 336 HE3 MET 46 HE3 MET 46 -1.484 12.585 4.333 337 H GLU 47 HN GLU 47 -2.270 5.323 6.678 338 HA GLU 47 HA GLU 47 -0.711 4.681 8.931 339 HB2 GLU 47 HB2 GLU 47 -3.236 4.845 8.779 340 HB3 GLU 47 HB1 GLU 47 -3.211 3.265 8.012 341 HG2 GLU 47 HG2 GLU 47 -3.715 2.955 10.299 342 HG3 GLU 47 HG1 GLU 47 -2.063 2.388 10.034 343 H THR 48 HN THR 48 -1.818 2.821 6.175 344 HA THR 48 HA THR 48 -0.644 0.344 6.700 345 HB THR 48 HB THR 48 -1.018 1.661 3.983 346 HG1 THR 48 HG1 THR 48 -3.005 1.674 5.250 347 HG21 THR 48 HG21 THR 48 0.272 -0.447 3.922 348 HG22 THR 48 HG22 THR 48 -1.312 -0.659 3.186 349 HG23 THR 48 HG23 THR 48 -1.011 -1.259 4.812 350 H ALA 49 HN ALA 49 0.565 3.060 4.713 351 HA ALA 49 HA ALA 49 3.045 2.091 4.020 352 HB1 ALA 49 HB1 ALA 49 2.020 4.095 3.054 353 HB2 ALA 49 HB2 ALA 49 3.669 4.402 3.595 354 HB3 ALA 49 HB3 ALA 49 2.304 4.959 4.564 355 H ALA 50 HN ALA 50 2.254 4.146 6.833 356 HA ALA 50 HA ALA 50 4.822 4.341 7.908 357 HB1 ALA 50 HB1 ALA 50 2.212 4.307 9.409 358 HB2 ALA 50 HB2 ALA 50 2.932 5.719 8.630 359 HB3 ALA 50 HB3 ALA 50 3.744 4.951 9.996 360 H ARG 51 HN ARG 51 2.418 1.841 8.269 361 HA ARG 51 HA ARG 51 3.803 0.455 10.337 362 HB2 ARG 51 HB2 ARG 51 1.391 0.229 10.033 363 HB3 ARG 51 HB1 ARG 51 1.651 -0.481 8.445 364 HG2 ARG 51 HG2 ARG 51 2.735 -2.386 9.435 365 HG3 ARG 51 HG1 ARG 51 2.592 -1.662 11.039 366 HD2 ARG 51 HD2 ARG 51 0.160 -1.699 10.829 367 HD3 ARG 51 HD1 ARG 51 0.336 -2.423 9.224 368 HE ARG 51 HE ARG 51 1.309 -4.324 10.230 369 HH11 ARG 51 HH11 ARG 51 -0.688 -2.227 12.271 370 HH12 ARG 51 HH12 ARG 51 -0.823 -3.322 13.562 371 HH21 ARG 51 HH21 ARG 51 1.155 -5.864 12.013 372 HH22 ARG 51 HH22 ARG 51 0.284 -5.443 13.425 373 H LEU 52 HN LEU 52 3.505 0.116 6.850 374 HA LEU 52 HA LEU 52 5.171 -2.142 6.686 375 HB2 LEU 52 HB2 LEU 52 4.379 -0.149 4.580 376 HB3 LEU 52 HB1 LEU 52 5.274 -1.624 4.250 377 HG LEU 52 HG LEU 52 2.498 -1.472 5.416 378 HD11 LEU 52 HD11 LEU 52 2.559 -0.896 3.062 379 HD12 LEU 52 HD12 LEU 52 1.791 -2.464 3.315 380 HD13 LEU 52 HD13 LEU 52 3.448 -2.378 2.713 381 HD21 LEU 52 HD21 LEU 52 3.751 -3.364 6.305 382 HD22 LEU 52 HD22 LEU 52 4.182 -3.860 4.670 383 HD23 LEU 52 HD23 LEU 52 2.498 -3.912 5.190 384 H GLU 53 HN GLU 53 5.880 1.274 6.745 385 HA GLU 53 HA GLU 53 8.557 1.172 5.989 386 HB2 GLU 53 HB2 GLU 53 7.240 2.857 8.126 387 HB3 GLU 53 HB1 GLU 53 8.885 3.097 7.571 388 HG2 GLU 53 HG2 GLU 53 8.041 3.606 5.339 389 HG3 GLU 53 HG1 GLU 53 6.389 3.383 5.926 390 H SER 54 HN SER 54 7.003 0.675 9.082 391 HA SER 54 HA SER 54 9.301 0.125 10.610 392 HB2 SER 54 HB2 SER 54 7.099 0.838 11.528 393 HB3 SER 54 HB1 SER 54 6.414 -0.706 11.040 394 HG SER 54 HG SER 54 8.499 -0.255 12.893 395 H ARG 55 HN ARG 55 6.970 -1.930 8.944 396 HA ARG 55 HA ARG 55 8.025 -4.383 9.812 397 HB2 ARG 55 HB2 ARG 55 5.728 -4.194 9.083 398 HB3 ARG 55 HB1 ARG 55 6.241 -3.738 7.466 399 HG2 ARG 55 HG2 ARG 55 7.202 -5.947 7.141 400 HG3 ARG 55 HG1 ARG 55 6.728 -6.398 8.778 401 HD2 ARG 55 HD2 ARG 55 4.413 -6.284 8.224 402 HD3 ARG 55 HD1 ARG 55 4.758 -5.518 6.669 403 HE ARG 55 HE ARG 55 5.909 -8.135 7.160 404 HH11 ARG 55 HH11 ARG 55 3.032 -6.551 5.801 405 HH12 ARG 55 HH12 ARG 55 3.011 -7.522 4.395 406 HH21 ARG 55 HH21 ARG 55 5.760 -9.547 5.306 407 HH22 ARG 55 HH22 ARG 55 4.578 -9.264 4.111 408 H TYR 56 HN TYR 56 8.538 -2.633 6.725 409 HA TYR 56 HA TYR 56 10.423 -4.718 5.949 410 HB2 TYR 56 HB2 TYR 56 8.914 -2.665 4.424 411 HB3 TYR 56 HB1 TYR 56 10.392 -3.329 3.736 412 HD1 TYR 56 HD1 TYR 56 6.992 -4.230 4.956 413 HD2 TYR 56 HD2 TYR 56 10.452 -5.462 2.829 414 HE1 TYR 56 HE1 TYR 56 5.791 -6.222 4.140 415 HE2 TYR 56 HE2 TYR 56 9.274 -7.433 2.018 416 HH TYR 56 HH TYR 56 5.877 -7.869 2.396 417 H GLY 57 HN GLY 57 10.603 -1.670 7.339 418 HA2 GLY 57 HA2 GLY 57 12.504 -0.505 7.936 419 HA3 GLY 57 HA1 GLY 57 13.461 -1.645 6.996 420 H VAL 58 HN VAL 58 10.744 0.375 5.984 421 HA VAL 58 HA VAL 58 12.582 1.605 4.090 422 HB VAL 58 HB VAL 58 10.785 1.884 2.431 423 HG11 VAL 58 HG11 VAL 58 11.075 -0.928 3.381 424 HG12 VAL 58 HG12 VAL 58 12.202 -0.076 2.316 425 HG13 VAL 58 HG13 VAL 58 10.558 -0.449 1.765 426 HG21 VAL 58 HG21 VAL 58 9.096 0.211 4.281 427 HG22 VAL 58 HG22 VAL 58 8.658 0.735 2.656 428 HG23 VAL 58 HG23 VAL 58 8.848 1.933 3.940 429 H SER 59 HN SER 59 11.523 3.673 3.120 430 HA SER 59 HA SER 59 10.531 5.307 5.351 431 HB2 SER 59 HB2 SER 59 12.440 6.094 3.135 432 HB3 SER 59 HB1 SER 59 11.928 7.100 4.494 433 HG SER 59 HG SER 59 13.123 4.605 4.931 434 H ILE 60 HN ILE 60 8.506 5.969 4.837 435 HA ILE 60 HA ILE 60 7.950 6.673 2.045 436 HB ILE 60 HB ILE 60 6.025 5.161 3.850 437 HG12 ILE 60 HG12 ILE 60 7.397 4.246 1.299 438 HG13 ILE 60 HG11 ILE 60 7.837 3.730 2.920 439 HG21 ILE 60 HG21 ILE 60 5.701 6.112 0.999 440 HG22 ILE 60 HG22 ILE 60 4.878 6.764 2.416 441 HG23 ILE 60 HG23 ILE 60 4.546 5.116 1.886 442 HD11 ILE 60 HD11 ILE 60 5.206 3.204 1.553 443 HD12 ILE 60 HD12 ILE 60 5.643 2.683 3.179 444 HD13 ILE 60 HD13 ILE 60 6.512 2.044 1.783 445 HA PRO 61 HA PRO 61 6.766 10.383 4.332 446 HB2 PRO 61 HB2 PRO 61 6.249 11.299 1.557 447 HB3 PRO 61 HB1 PRO 61 7.239 12.050 2.816 448 HG2 PRO 61 HG2 PRO 61 8.370 10.846 0.727 449 HG3 PRO 61 HG1 PRO 61 9.075 10.719 2.350 450 HD2 PRO 61 HD2 PRO 61 7.417 8.729 0.846 451 HD3 PRO 61 HD1 PRO 61 8.866 8.464 1.839 452 H ASP 62 HN ASP 62 4.817 11.040 4.909 453 HA ASP 62 HA ASP 62 2.580 9.459 4.632 454 HB2 ASP 62 HB2 ASP 62 2.708 12.377 5.390 455 HB3 ASP 62 HB1 ASP 62 1.309 11.338 5.620 456 H ASP 63 HN ASP 63 3.275 12.517 2.987 457 HA ASP 63 HA ASP 63 0.772 12.780 1.751 458 HB2 ASP 63 HB2 ASP 63 1.641 14.556 0.440 459 HB3 ASP 63 HB1 ASP 63 2.545 14.608 1.939 460 H VAL 64 HN VAL 64 3.540 10.971 0.796 461 HA VAL 64 HA VAL 64 2.931 10.499 -1.933 462 HB VAL 64 HB VAL 64 4.400 8.738 0.013 463 HG11 VAL 64 HG11 VAL 64 5.546 7.874 -2.013 464 HG12 VAL 64 HG12 VAL 64 4.519 8.900 -3.014 465 HG13 VAL 64 HG13 VAL 64 3.808 7.584 -2.077 466 HG21 VAL 64 HG21 VAL 64 5.426 10.908 -1.796 467 HG22 VAL 64 HG22 VAL 64 6.430 9.823 -0.832 468 HG23 VAL 64 HG23 VAL 64 5.338 10.958 -0.037 469 H ALA 65 HN ALA 65 2.089 8.815 1.036 470 HA ALA 65 HA ALA 65 0.862 6.585 -0.185 471 HB1 ALA 65 HB1 ALA 65 -0.078 6.129 2.016 472 HB2 ALA 65 HB2 ALA 65 0.373 7.747 2.553 473 HB3 ALA 65 HB3 ALA 65 1.623 6.575 2.143 474 H GLY 66 HN GLY 66 -0.163 9.809 0.267 475 HA2 GLY 66 HA2 GLY 66 -2.955 9.089 -0.292 476 HA3 GLY 66 HA1 GLY 66 -2.395 10.663 0.265 477 H ARG 67 HN ARG 67 -0.420 9.292 -2.098 478 HA ARG 67 HA ARG 67 -1.607 10.988 -4.203 479 HB2 ARG 67 HB2 ARG 67 1.206 10.379 -3.456 480 HB3 ARG 67 HB1 ARG 67 0.811 10.916 -5.080 481 HG2 ARG 67 HG2 ARG 67 0.032 13.002 -4.278 482 HG3 ARG 67 HG1 ARG 67 -0.025 12.419 -2.615 483 HD2 ARG 67 HD2 ARG 67 1.865 13.905 -3.026 484 HD3 ARG 67 HD1 ARG 67 2.378 12.303 -2.529 485 HE ARG 67 HE ARG 67 2.363 12.372 -5.314 486 HH11 ARG 67 HH11 ARG 67 4.093 13.883 -2.600 487 HH12 ARG 67 HH12 ARG 67 5.510 14.163 -3.487 488 HH21 ARG 67 HH21 ARG 67 4.330 12.711 -6.521 489 HH22 ARG 67 HH22 ARG 67 5.653 13.499 -5.784 490 H VAL 68 HN VAL 68 -0.989 7.847 -3.316 491 HA VAL 68 HA VAL 68 -0.281 6.861 -5.904 492 HB VAL 68 HB VAL 68 -0.611 4.578 -4.863 493 HG11 VAL 68 HG11 VAL 68 1.181 6.494 -3.377 494 HG12 VAL 68 HG12 VAL 68 1.565 5.655 -4.879 495 HG13 VAL 68 HG13 VAL 68 1.343 4.737 -3.390 496 HG21 VAL 68 HG21 VAL 68 -0.892 4.427 -2.428 497 HG22 VAL 68 HG22 VAL 68 -2.297 5.185 -3.178 498 HG23 VAL 68 HG23 VAL 68 -1.104 6.177 -2.339 499 H ASP 69 HN ASP 69 -1.586 6.737 -7.473 500 HA ASP 69 HA ASP 69 -4.391 7.055 -7.265 501 HB2 ASP 69 HB2 ASP 69 -2.580 6.361 -9.541 502 HB3 ASP 69 HB1 ASP 69 -4.314 6.165 -9.738 503 H THR 70 HN THR 70 -2.574 4.159 -8.198 504 HA THR 70 HA THR 70 -4.947 2.604 -7.457 505 HB THR 70 HB THR 70 -3.977 0.885 -9.037 506 HG1 THR 70 HG1 THR 70 -2.597 2.669 -10.541 507 HG21 THR 70 HG21 THR 70 -4.789 2.003 -11.081 508 HG22 THR 70 HG22 THR 70 -4.733 3.555 -10.242 509 HG23 THR 70 HG23 THR 70 -5.862 2.309 -9.714 510 HA PRO 71 HA PRO 71 -2.418 0.375 -4.480 511 HB2 PRO 71 HB2 PRO 71 -3.558 -2.102 -5.703 512 HB3 PRO 71 HB1 PRO 71 -3.514 -1.608 -4.002 513 HG2 PRO 71 HG2 PRO 71 -5.779 -1.414 -5.312 514 HG3 PRO 71 HG1 PRO 71 -5.256 -0.069 -4.274 515 HD2 PRO 71 HD2 PRO 71 -5.055 -0.340 -7.257 516 HD3 PRO 71 HD1 PRO 71 -5.619 1.047 -6.294 517 H ARG 72 HN ARG 72 -2.384 -0.360 -7.857 518 HA ARG 72 HA ARG 72 -0.065 -1.989 -7.939 519 HB2 ARG 72 HB2 ARG 72 -1.630 -1.800 -9.820 520 HB3 ARG 72 HB1 ARG 72 -1.222 -0.101 -9.997 521 HG2 ARG 72 HG2 ARG 72 1.065 -0.718 -10.608 522 HG3 ARG 72 HG1 ARG 72 0.647 -2.425 -10.428 523 HD2 ARG 72 HD2 ARG 72 -0.627 -0.486 -12.349 524 HD3 ARG 72 HD1 ARG 72 0.568 -1.716 -12.765 525 HE ARG 72 HE ARG 72 -1.115 -3.337 -11.887 526 HH11 ARG 72 HH11 ARG 72 -2.094 -0.240 -13.340 527 HH12 ARG 72 HH12 ARG 72 -3.592 -0.798 -13.904 528 HH21 ARG 72 HH21 ARG 72 -3.215 -4.124 -12.662 529 HH22 ARG 72 HH22 ARG 72 -4.240 -3.068 -13.531 530 H GLU 73 HN GLU 73 -0.670 1.466 -7.964 531 HA GLU 73 HA GLU 73 2.060 2.197 -8.372 532 HB2 GLU 73 HB2 GLU 73 0.202 3.590 -9.154 533 HB3 GLU 73 HB1 GLU 73 -0.339 3.812 -7.501 534 HG2 GLU 73 HG2 GLU 73 1.507 5.201 -6.986 535 HG3 GLU 73 HG1 GLU 73 2.356 4.719 -8.471 536 H LEU 74 HN LEU 74 -0.031 1.648 -5.670 537 HA LEU 74 HA LEU 74 1.724 2.650 -3.654 538 HB2 LEU 74 HB2 LEU 74 -0.771 2.170 -3.416 539 HB3 LEU 74 HB1 LEU 74 -0.387 0.471 -3.403 540 HG LEU 74 HG LEU 74 -0.946 1.446 -1.179 541 HD11 LEU 74 HD11 LEU 74 0.334 -0.601 -1.254 542 HD12 LEU 74 HD12 LEU 74 0.840 0.407 0.102 543 HD13 LEU 74 HD13 LEU 74 1.836 0.320 -1.355 544 HD21 LEU 74 HD21 LEU 74 0.055 3.629 -1.424 545 HD22 LEU 74 HD22 LEU 74 1.667 2.911 -1.479 546 HD23 LEU 74 HD23 LEU 74 0.702 2.808 -0.004 547 H LEU 75 HN LEU 75 1.164 -0.531 -5.109 548 HA LEU 75 HA LEU 75 3.113 -2.081 -3.858 549 HB2 LEU 75 HB2 LEU 75 1.386 -2.931 -5.414 550 HB3 LEU 75 HB1 LEU 75 2.172 -2.107 -6.738 551 HG LEU 75 HG LEU 75 4.151 -3.606 -6.404 552 HD11 LEU 75 HD11 LEU 75 3.769 -4.222 -4.092 553 HD12 LEU 75 HD12 LEU 75 3.838 -5.653 -5.118 554 HD13 LEU 75 HD13 LEU 75 2.282 -5.053 -4.541 555 HD21 LEU 75 HD21 LEU 75 3.098 -5.548 -7.457 556 HD22 LEU 75 HD22 LEU 75 2.495 -4.038 -8.138 557 HD23 LEU 75 HD23 LEU 75 1.511 -4.942 -6.988 558 H ASP 76 HN ASP 76 3.254 -0.246 -6.850 559 HA ASP 76 HA ASP 76 5.829 -0.368 -7.740 560 HB2 ASP 76 HB2 ASP 76 4.023 0.805 -8.868 561 HB3 ASP 76 HB1 ASP 76 3.967 2.006 -7.597 562 H LEU 77 HN LEU 77 4.535 1.973 -5.444 563 HA LEU 77 HA LEU 77 6.764 3.485 -4.857 564 HB2 LEU 77 HB2 LEU 77 4.559 4.117 -4.163 565 HB3 LEU 77 HB1 LEU 77 4.415 2.697 -3.152 566 HG LEU 77 HG LEU 77 6.198 3.603 -1.690 567 HD11 LEU 77 HD11 LEU 77 7.343 5.006 -3.295 568 HD12 LEU 77 HD12 LEU 77 6.833 5.945 -1.894 569 HD13 LEU 77 HD13 LEU 77 5.934 6.060 -3.406 570 HD21 LEU 77 HD21 LEU 77 4.797 5.320 -0.650 571 HD22 LEU 77 HD22 LEU 77 3.852 3.913 -1.139 572 HD23 LEU 77 HD23 LEU 77 3.805 5.387 -2.107 573 H ILE 78 HN ILE 78 5.537 0.694 -3.055 574 HA ILE 78 HA ILE 78 7.759 0.731 -1.287 575 HB ILE 78 HB ILE 78 5.662 -1.435 -1.660 576 HG12 ILE 78 HG12 ILE 78 5.875 0.895 0.258 577 HG13 ILE 78 HG11 ILE 78 4.706 0.714 -1.040 578 HG21 ILE 78 HG21 ILE 78 6.346 -2.191 0.585 579 HG22 ILE 78 HG22 ILE 78 7.615 -0.966 0.613 580 HG23 ILE 78 HG23 ILE 78 7.694 -2.288 -0.549 581 HD11 ILE 78 HD11 ILE 78 3.690 0.261 1.087 582 HD12 ILE 78 HD12 ILE 78 4.917 -0.943 1.447 583 HD13 ILE 78 HD13 ILE 78 3.757 -1.231 0.139 584 H ASN 79 HN ASN 79 6.935 -1.173 -4.143 585 HA ASN 79 HA ASN 79 9.033 -3.036 -4.007 586 HB2 ASN 79 HB2 ASN 79 7.442 -1.930 -6.292 587 HB3 ASN 79 HB1 ASN 79 8.862 -2.899 -6.638 588 HD21 ASN 79 HD21 ASN 79 6.796 -3.530 -3.851 589 HD22 ASN 79 HD22 ASN 79 6.160 -5.011 -4.484 590 H GLY 80 HN GLY 80 8.965 0.212 -5.339 591 HA2 GLY 80 HA2 GLY 80 11.596 0.205 -6.359 592 HA3 GLY 80 HA1 GLY 80 10.665 1.636 -5.926 593 H ALA 81 HN ALA 81 10.272 1.266 -3.258 594 HA ALA 81 HA ALA 81 12.689 2.213 -2.171 595 HB1 ALA 81 HB1 ALA 81 10.487 2.862 -1.305 596 HB2 ALA 81 HB2 ALA 81 11.523 2.225 -0.029 597 HB3 ALA 81 HB3 ALA 81 10.242 1.221 -0.709 598 H LEU 82 HN LEU 82 11.185 -0.941 -2.166 599 HA LEU 82 HA LEU 82 12.835 -2.139 -0.217 600 HB2 LEU 82 HB2 LEU 82 11.221 -3.380 -2.427 601 HB3 LEU 82 HB1 LEU 82 12.057 -4.300 -1.196 602 HG LEU 82 HG LEU 82 9.810 -2.352 -0.718 603 HD11 LEU 82 HD11 LEU 82 8.530 -4.346 -0.144 604 HD12 LEU 82 HD12 LEU 82 9.905 -5.358 -0.592 605 HD13 LEU 82 HD13 LEU 82 9.084 -4.389 -1.819 606 HD21 LEU 82 HD21 LEU 82 11.282 -4.175 1.168 607 HD22 LEU 82 HD22 LEU 82 9.866 -3.199 1.564 608 HD23 LEU 82 HD23 LEU 82 11.387 -2.417 1.132 609 H ALA 83 HN ALA 83 13.507 -1.251 -3.429 610 HA ALA 83 HA ALA 83 15.514 -3.265 -3.820 611 HB1 ALA 83 HB1 ALA 83 16.126 -2.001 -5.821 612 HB2 ALA 83 HB2 ALA 83 15.061 -0.686 -5.321 613 HB3 ALA 83 HB3 ALA 83 14.382 -2.257 -5.747 614 H GLU 84 HN GLU 84 15.365 0.045 -2.688 615 HA GLU 84 HA GLU 84 18.212 0.235 -2.284 616 HB2 GLU 84 HB2 GLU 84 15.888 1.952 -1.477 617 HB3 GLU 84 HB1 GLU 84 17.449 2.190 -0.723 618 HG2 GLU 84 HG2 GLU 84 17.114 3.760 -2.513 619 HG3 GLU 84 HG1 GLU 84 18.427 2.657 -2.902 620 H ALA 85 HN ALA 85 15.377 -0.301 -0.289 621 HA ALA 85 HA ALA 85 16.936 -0.725 2.108 622 HB1 ALA 85 HB1 ALA 85 14.789 0.442 2.192 623 HB2 ALA 85 HB2 ALA 85 14.753 -1.028 3.167 624 HB3 ALA 85 HB3 ALA 85 13.977 -0.999 1.583 625 H ALA 86 HN ALA 86 17.562 -2.524 0.064 626 HA ALA 86 HA ALA 86 16.299 -5.037 0.796 627 HB1 ALA 86 HB1 ALA 86 18.377 -4.409 -1.312 628 HB2 ALA 86 HB2 ALA 86 16.646 -4.595 -1.595 629 HB3 ALA 86 HB3 ALA 86 17.605 -5.977 -1.065 630 H28 SXV 87 H28A SXV 87 -5.320 14.041 0.588 631 H28A SXV 87 H28B SXV 87 -5.987 14.303 2.200 632 H30 SXV 87 H30C SXV 87 -2.880 14.068 4.063 633 H30A SXV 87 H30A SXV 87 -4.042 12.771 3.780 634 H30B SXV 87 H30B SXV 87 -4.609 14.403 4.136 635 H31 SXV 87 H31C SXV 87 -2.839 13.549 0.353 636 H31A SXV 87 H31A SXV 87 -2.966 12.276 1.570 637 H31B SXV 87 H31B SXV 87 -1.801 13.585 1.778 638 H32 SXV 87 H32A SXV 87 -4.212 16.253 2.616 639 HO33 SXV 87 H33A SXV 87 -3.377 15.603 -0.033 640 HN36 SXV 87 H36A SXV 87 -2.230 17.276 0.732 641 H37 SXV 87 H37B SXV 87 0.398 16.770 1.884 642 H37A SXV 87 H37A SXV 87 -0.254 18.374 2.196 643 H38 SXV 87 H38B SXV 87 -0.382 18.793 -0.204 644 H38A SXV 87 H38A SXV 87 0.130 17.128 -0.517 645 HN41 SXV 87 H41A SXV 87 1.567 18.355 -1.855 646 H42 SXV 87 H42B SXV 87 4.182 18.717 -0.595 647 H42A SXV 87 H42A SXV 87 3.518 19.961 -1.674 648 H43 SXV 87 H43B SXV 87 4.125 17.109 -2.431 649 H43A SXV 87 H43A SXV 87 3.226 18.268 -3.416 650 H1 SXV 87 H1B SXV 87 7.653 18.970 -2.319 651 H1A SXV 87 H1A SXV 87 6.341 19.024 -1.130 652 H2 SXV 87 H2A SXV 87 6.021 16.660 -1.188 653 H2A SXV 87 H2B SXV 87 7.692 17.053 -0.865 654 H4 SXV 87 H4C SXV 87 9.307 16.026 -3.676 655 H4A SXV 87 H4A SXV 87 8.738 17.678 -3.416 656 H4B SXV 87 H4B SXV 87 8.044 16.700 -4.715 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 18.359 -11.863 -4.925 2 H2 MET 1 HT2 MET 1 19.024 -10.691 -5.944 3 H3 MET 1 HT3 MET 1 18.329 -12.108 -6.607 4 HA MET 1 HA MET 1 16.914 -10.183 -6.888 5 HB2 MET 1 HB2 MET 1 14.865 -11.097 -5.969 6 HB3 MET 1 HB1 MET 1 15.864 -12.428 -6.533 7 HG2 MET 1 HG2 MET 1 16.498 -12.983 -4.281 8 HG3 MET 1 HG1 MET 1 15.703 -11.548 -3.653 9 HE1 MET 1 HE1 MET 1 14.325 -13.891 -6.484 10 HE2 MET 1 HE2 MET 1 13.414 -15.078 -5.548 11 HE3 MET 1 HE3 MET 1 15.172 -15.016 -5.422 12 H ALA 2 HN ALA 2 15.375 -8.784 -5.754 13 HA ALA 2 HA ALA 2 16.472 -7.721 -3.261 14 HB1 ALA 2 HB1 ALA 2 16.045 -6.128 -5.078 15 HB2 ALA 2 HB2 ALA 2 14.942 -5.830 -3.734 16 HB3 ALA 2 HB3 ALA 2 14.369 -6.672 -5.177 17 H THR 3 HN THR 3 14.866 -7.302 -1.515 18 HA THR 3 HA THR 3 12.928 -9.451 -1.415 19 HB THR 3 HB THR 3 14.211 -9.045 0.635 20 HG1 THR 3 HG1 THR 3 12.083 -9.692 0.890 21 HG21 THR 3 HG21 THR 3 13.047 -6.248 0.685 22 HG22 THR 3 HG22 THR 3 14.733 -6.665 0.390 23 HG23 THR 3 HG23 THR 3 14.015 -6.975 1.970 24 H LEU 4 HN LEU 4 11.137 -9.111 -2.533 25 HA LEU 4 HA LEU 4 9.939 -6.429 -2.473 26 HB2 LEU 4 HB2 LEU 4 9.897 -8.418 -4.746 27 HB3 LEU 4 HB1 LEU 4 9.128 -6.846 -4.735 28 HG LEU 4 HG LEU 4 12.106 -7.341 -4.676 29 HD11 LEU 4 HD11 LEU 4 12.079 -6.428 -6.937 30 HD12 LEU 4 HD12 LEU 4 10.319 -6.337 -6.880 31 HD13 LEU 4 HD13 LEU 4 11.124 -7.906 -6.819 32 HD21 LEU 4 HD21 LEU 4 11.498 -5.294 -3.492 33 HD22 LEU 4 HD22 LEU 4 10.547 -4.760 -4.877 34 HD23 LEU 4 HD23 LEU 4 12.299 -4.921 -5.019 35 H LEU 5 HN LEU 5 8.003 -6.447 -1.571 36 HA LEU 5 HA LEU 5 6.738 -8.927 -0.984 37 HB2 LEU 5 HB2 LEU 5 5.021 -7.737 0.138 38 HB3 LEU 5 HB1 LEU 5 6.510 -6.907 0.503 39 HG LEU 5 HG LEU 5 4.535 -5.924 -1.568 40 HD11 LEU 5 HD11 LEU 5 3.461 -6.108 0.606 41 HD12 LEU 5 HD12 LEU 5 3.704 -4.415 0.153 42 HD13 LEU 5 HD13 LEU 5 4.769 -5.178 1.335 43 HD21 LEU 5 HD21 LEU 5 5.610 -3.750 -1.098 44 HD22 LEU 5 HD22 LEU 5 6.709 -4.913 -1.809 45 HD23 LEU 5 HD23 LEU 5 6.787 -4.573 -0.073 46 H THR 6 HN THR 6 5.102 -9.911 -1.987 47 HA THR 6 HA THR 6 4.548 -8.995 -4.644 48 HB THR 6 HB THR 6 3.327 -11.210 -4.786 49 HG1 THR 6 HG1 THR 6 3.594 -12.640 -3.116 50 HG21 THR 6 HG21 THR 6 5.410 -12.524 -4.855 51 HG22 THR 6 HG22 THR 6 6.237 -11.251 -3.956 52 HG23 THR 6 HG23 THR 6 5.634 -10.933 -5.582 53 H THR 7 HN THR 7 1.981 -9.860 -5.157 54 HA THR 7 HA THR 7 0.497 -7.770 -3.999 55 HB THR 7 HB THR 7 -1.427 -8.923 -5.259 56 HG1 THR 7 HG1 THR 7 -0.925 -10.579 -6.509 57 HG21 THR 7 HG21 THR 7 1.041 -8.029 -6.769 58 HG22 THR 7 HG22 THR 7 -0.219 -6.971 -6.130 59 HG23 THR 7 HG23 THR 7 -0.595 -8.108 -7.425 60 H ASP 8 HN ASP 8 0.957 -11.083 -3.194 61 HA ASP 8 HA ASP 8 -1.380 -11.438 -1.595 62 HB2 ASP 8 HB2 ASP 8 1.319 -12.806 -1.353 63 HB3 ASP 8 HB1 ASP 8 -0.129 -13.288 -0.483 64 H ASP 9 HN ASP 9 1.808 -10.167 -1.045 65 HA ASP 9 HA ASP 9 1.330 -9.894 1.782 66 HB2 ASP 9 HB2 ASP 9 3.619 -10.364 0.750 67 HB3 ASP 9 HB1 ASP 9 3.620 -8.676 0.259 68 H LEU 10 HN LEU 10 1.280 -7.873 -1.076 69 HA LEU 10 HA LEU 10 0.850 -5.386 0.187 70 HB2 LEU 10 HB2 LEU 10 1.315 -5.619 -2.229 71 HB3 LEU 10 HB1 LEU 10 -0.239 -6.399 -2.451 72 HG LEU 10 HG LEU 10 -1.353 -4.290 -1.753 73 HD11 LEU 10 HD11 LEU 10 0.421 -3.330 -0.413 74 HD12 LEU 10 HD12 LEU 10 -0.062 -2.219 -1.696 75 HD13 LEU 10 HD13 LEU 10 1.430 -3.144 -1.847 76 HD21 LEU 10 HD21 LEU 10 -1.061 -4.812 -4.111 77 HD22 LEU 10 HD22 LEU 10 0.534 -4.051 -4.094 78 HD23 LEU 10 HD23 LEU 10 -0.912 -3.077 -3.833 79 H ARG 11 HN ARG 11 -1.291 -7.985 -0.762 80 HA ARG 11 HA ARG 11 -3.772 -6.947 -0.035 81 HB2 ARG 11 HB2 ARG 11 -3.385 -9.050 -1.282 82 HB3 ARG 11 HB1 ARG 11 -2.718 -9.777 0.165 83 HG2 ARG 11 HG2 ARG 11 -4.908 -9.617 1.241 84 HG3 ARG 11 HG1 ARG 11 -5.568 -8.900 -0.239 85 HD2 ARG 11 HD2 ARG 11 -4.927 -10.914 -1.487 86 HD3 ARG 11 HD1 ARG 11 -4.291 -11.624 -0.005 87 HE ARG 11 HE ARG 11 -6.894 -10.986 0.539 88 HH11 ARG 11 HH11 ARG 11 -5.255 -13.127 -1.813 89 HH12 ARG 11 HH12 ARG 11 -6.582 -14.191 -1.928 90 HH21 ARG 11 HH21 ARG 11 -8.693 -12.462 0.303 91 HH22 ARG 11 HH22 ARG 11 -8.562 -13.827 -0.657 92 H ARG 12 HN ARG 12 -1.377 -8.758 1.833 93 HA ARG 12 HA ARG 12 -2.624 -8.830 4.334 94 HB2 ARG 12 HB2 ARG 12 0.334 -8.597 3.756 95 HB3 ARG 12 HB1 ARG 12 -0.358 -9.043 5.304 96 HG2 ARG 12 HG2 ARG 12 -1.235 -11.089 4.353 97 HG3 ARG 12 HG1 ARG 12 -0.652 -10.614 2.754 98 HD2 ARG 12 HD2 ARG 12 1.652 -10.581 3.627 99 HD3 ARG 12 HD1 ARG 12 1.045 -11.108 5.192 100 HE ARG 12 HE ARG 12 0.151 -13.071 3.742 101 HH11 ARG 12 HH11 ARG 12 3.310 -11.437 3.334 102 HH12 ARG 12 HH12 ARG 12 4.128 -12.843 2.853 103 HH21 ARG 12 HH21 ARG 12 1.310 -15.018 3.005 104 HH22 ARG 12 HH22 ARG 12 2.982 -14.936 2.731 105 H ALA 13 HN ALA 13 -0.562 -6.330 2.915 106 HA ALA 13 HA ALA 13 -0.289 -4.687 5.163 107 HB1 ALA 13 HB1 ALA 13 1.066 -4.459 3.135 108 HB2 ALA 13 HB2 ALA 13 0.349 -2.933 3.649 109 HB3 ALA 13 HB3 ALA 13 -0.341 -3.811 2.281 110 H LEU 14 HN LEU 14 -2.797 -4.749 2.700 111 HA LEU 14 HA LEU 14 -4.206 -2.524 3.719 112 HB2 LEU 14 HB2 LEU 14 -4.880 -4.746 1.844 113 HB3 LEU 14 HB1 LEU 14 -6.208 -3.841 2.537 114 HG LEU 14 HG LEU 14 -5.323 -1.770 1.562 115 HD11 LEU 14 HD11 LEU 14 -2.960 -2.273 1.526 116 HD12 LEU 14 HD12 LEU 14 -3.543 -1.779 -0.059 117 HD13 LEU 14 HD13 LEU 14 -3.218 -3.488 0.268 118 HD21 LEU 14 HD21 LEU 14 -5.794 -2.283 -0.784 119 HD22 LEU 14 HD22 LEU 14 -6.947 -3.037 0.314 120 HD23 LEU 14 HD23 LEU 14 -5.668 -4.006 -0.421 121 H VAL 15 HN VAL 15 -4.343 -5.948 4.391 122 HA VAL 15 HA VAL 15 -6.533 -5.966 6.172 123 HB VAL 15 HB VAL 15 -4.092 -7.761 6.322 124 HG11 VAL 15 HG11 VAL 15 -5.623 -9.419 7.280 125 HG12 VAL 15 HG12 VAL 15 -6.930 -8.236 7.223 126 HG13 VAL 15 HG13 VAL 15 -5.536 -7.958 8.266 127 HG21 VAL 15 HG21 VAL 15 -5.308 -9.303 4.863 128 HG22 VAL 15 HG22 VAL 15 -4.963 -7.767 4.068 129 HG23 VAL 15 HG23 VAL 15 -6.585 -8.102 4.674 130 H GLU 16 HN GLU 16 -3.150 -5.230 6.600 131 HA GLU 16 HA GLU 16 -2.971 -5.145 9.391 132 HB2 GLU 16 HB2 GLU 16 -1.510 -3.446 7.388 133 HB3 GLU 16 HB1 GLU 16 -1.064 -3.648 9.075 134 HG2 GLU 16 HG2 GLU 16 -1.079 -5.765 6.944 135 HG3 GLU 16 HG1 GLU 16 0.308 -4.973 7.698 136 H SER 17 HN SER 17 -4.273 -2.874 7.106 137 HA SER 17 HA SER 17 -4.488 -0.844 9.177 138 HB2 SER 17 HB2 SER 17 -3.561 -0.238 6.921 139 HB3 SER 17 HB1 SER 17 -5.144 -0.570 6.229 140 HG SER 17 HG SER 17 -4.759 1.179 8.375 141 H ALA 18 HN ALA 18 -6.496 -2.875 7.101 142 HA ALA 18 HA ALA 18 -8.936 -1.612 7.930 143 HB1 ALA 18 HB1 ALA 18 -10.059 -3.288 6.588 144 HB2 ALA 18 HB2 ALA 18 -8.557 -4.199 6.433 145 HB3 ALA 18 HB3 ALA 18 -8.700 -2.601 5.698 146 H GLY 19 HN GLY 19 -7.188 -4.545 8.864 147 HA2 GLY 19 HA2 GLY 19 -7.361 -5.565 10.963 148 HA3 GLY 19 HA1 GLY 19 -8.927 -4.788 11.201 149 H GLU 20 HN GLU 20 -9.727 -5.621 8.493 150 HA GLU 20 HA GLU 20 -10.080 -8.503 8.797 151 HB2 GLU 20 HB2 GLU 20 -11.998 -7.421 9.903 152 HB3 GLU 20 HB1 GLU 20 -12.280 -6.446 8.472 153 HG2 GLU 20 HG2 GLU 20 -12.585 -8.674 7.250 154 HG3 GLU 20 HG1 GLU 20 -12.715 -9.379 8.862 155 H THR 21 HN THR 21 -10.380 -9.463 6.777 156 HA THR 21 HA THR 21 -10.727 -7.703 4.521 157 HB THR 21 HB THR 21 -8.354 -8.129 4.636 158 HG1 THR 21 HG1 THR 21 -9.521 -8.100 2.584 159 HG21 THR 21 HG21 THR 21 -7.373 -10.391 4.262 160 HG22 THR 21 HG22 THR 21 -8.993 -11.081 4.387 161 HG23 THR 21 HG23 THR 21 -8.267 -10.281 5.781 162 H ASP 22 HN ASP 22 -12.785 -8.393 4.935 163 HA ASP 22 HA ASP 22 -13.389 -10.921 3.550 164 HB2 ASP 22 HB2 ASP 22 -13.682 -11.305 5.986 165 HB3 ASP 22 HB1 ASP 22 -14.893 -10.023 6.016 166 H GLY 23 HN GLY 23 -14.935 -8.034 4.915 167 HA2 GLY 23 HA2 GLY 23 -16.866 -7.860 2.810 168 HA3 GLY 23 HA1 GLY 23 -16.467 -6.600 3.989 169 H THR 24 HN THR 24 -13.733 -6.613 3.538 170 HA THR 24 HA THR 24 -13.475 -5.622 0.803 171 HB THR 24 HB THR 24 -11.918 -4.750 3.272 172 HG1 THR 24 HG1 THR 24 -13.829 -3.269 1.791 173 HG21 THR 24 HG21 THR 24 -10.647 -4.481 1.184 174 HG22 THR 24 HG22 THR 24 -11.162 -2.904 1.800 175 HG23 THR 24 HG23 THR 24 -12.018 -3.644 0.452 176 H ASP 25 HN ASP 25 -13.109 -7.977 0.424 177 HA ASP 25 HA ASP 25 -10.471 -8.860 1.284 178 HB2 ASP 25 HB2 ASP 25 -12.255 -10.515 1.570 179 HB3 ASP 25 HB1 ASP 25 -12.662 -10.396 -0.142 180 H LEU 26 HN LEU 26 -8.912 -9.392 -0.175 181 HA LEU 26 HA LEU 26 -9.211 -7.867 -2.666 182 HB2 LEU 26 HB2 LEU 26 -6.700 -8.511 -1.119 183 HB3 LEU 26 HB1 LEU 26 -6.722 -7.695 -2.662 184 HG LEU 26 HG LEU 26 -6.383 -6.023 -1.092 185 HD11 LEU 26 HD11 LEU 26 -7.967 -5.343 -2.724 186 HD12 LEU 26 HD12 LEU 26 -8.349 -4.588 -1.175 187 HD13 LEU 26 HD13 LEU 26 -9.300 -5.958 -1.748 188 HD21 LEU 26 HD21 LEU 26 -7.747 -5.650 0.923 189 HD22 LEU 26 HD22 LEU 26 -6.937 -7.217 0.954 190 HD23 LEU 26 HD23 LEU 26 -8.656 -7.120 0.565 191 H SER 27 HN SER 27 -9.972 -10.711 -2.398 192 HA SER 27 HA SER 27 -7.990 -12.148 -3.875 193 HB2 SER 27 HB2 SER 27 -9.630 -13.243 -2.323 194 HB3 SER 27 HB1 SER 27 -10.910 -12.842 -3.470 195 HG SER 27 HG SER 27 -10.269 -14.354 -4.759 196 H GLY 28 HN GLY 28 -7.558 -11.309 -5.826 197 HA2 GLY 28 HA2 GLY 28 -8.603 -11.789 -8.129 198 HA3 GLY 28 HA1 GLY 28 -9.746 -10.548 -7.599 199 H ASP 29 HN ASP 29 -9.011 -9.130 -9.283 200 HA ASP 29 HA ASP 29 -6.264 -8.227 -8.866 201 HB2 ASP 29 HB2 ASP 29 -6.898 -8.488 -11.244 202 HB3 ASP 29 HB1 ASP 29 -8.155 -7.263 -11.026 203 H PHE 30 HN PHE 30 -5.936 -6.843 -7.483 204 HA PHE 30 HA PHE 30 -7.939 -4.746 -7.060 205 HB2 PHE 30 HB2 PHE 30 -7.221 -4.615 -4.727 206 HB3 PHE 30 HB1 PHE 30 -7.768 -6.239 -5.109 207 HD1 PHE 30 HD2 PHE 30 -6.009 -8.035 -5.499 208 HD2 PHE 30 HD1 PHE 30 -5.084 -4.214 -3.865 209 HE1 PHE 30 HE2 PHE 30 -3.899 -8.927 -4.610 210 HE2 PHE 30 HE1 PHE 30 -2.975 -5.108 -2.975 211 HZ PHE 30 HZ PHE 30 -2.385 -7.464 -3.346 212 H LEU 31 HN LEU 31 -4.934 -5.443 -8.320 213 HA LEU 31 HA LEU 31 -3.303 -3.495 -7.294 214 HB2 LEU 31 HB2 LEU 31 -2.768 -5.633 -8.454 215 HB3 LEU 31 HB1 LEU 31 -3.275 -4.880 -9.951 216 HG LEU 31 HG LEU 31 -1.644 -3.196 -9.591 217 HD11 LEU 31 HD11 LEU 31 -0.661 -5.061 -7.402 218 HD12 LEU 31 HD12 LEU 31 -1.256 -3.415 -7.185 219 HD13 LEU 31 HD13 LEU 31 0.273 -3.696 -8.018 220 HD21 LEU 31 HD21 LEU 31 -0.617 -6.018 -9.846 221 HD22 LEU 31 HD22 LEU 31 0.301 -4.583 -10.315 222 HD23 LEU 31 HD23 LEU 31 -1.208 -4.974 -11.139 223 H ASP 32 HN ASP 32 -5.722 -3.485 -9.862 224 HA ASP 32 HA ASP 32 -4.909 -0.762 -10.639 225 HB2 ASP 32 HB2 ASP 32 -5.109 -2.384 -12.474 226 HB3 ASP 32 HB1 ASP 32 -6.765 -2.733 -12.009 227 H LEU 33 HN LEU 33 -6.919 -2.164 -8.485 228 HA LEU 33 HA LEU 33 -9.361 -0.797 -8.957 229 HB2 LEU 33 HB2 LEU 33 -8.317 -2.340 -6.627 230 HB3 LEU 33 HB1 LEU 33 -9.787 -1.401 -6.479 231 HG LEU 33 HG LEU 33 -9.360 -3.645 -8.460 232 HD11 LEU 33 HD11 LEU 33 -10.922 -4.876 -7.033 233 HD12 LEU 33 HD12 LEU 33 -10.972 -3.518 -5.909 234 HD13 LEU 33 HD13 LEU 33 -9.475 -4.424 -6.132 235 HD21 LEU 33 HD21 LEU 33 -10.902 -1.920 -9.246 236 HD22 LEU 33 HD22 LEU 33 -11.776 -2.020 -7.720 237 HD23 LEU 33 HD23 LEU 33 -11.776 -3.400 -8.824 238 H ARG 34 HN ARG 34 -9.929 1.118 -8.566 239 HA ARG 34 HA ARG 34 -8.294 3.075 -7.350 240 HB2 ARG 34 HB2 ARG 34 -11.250 3.042 -7.987 241 HB3 ARG 34 HB1 ARG 34 -10.383 4.462 -7.423 242 HG2 ARG 34 HG2 ARG 34 -9.696 2.963 -9.942 243 HG3 ARG 34 HG1 ARG 34 -10.757 4.373 -9.884 244 HD2 ARG 34 HD2 ARG 34 -7.893 4.320 -8.939 245 HD3 ARG 34 HD1 ARG 34 -8.430 4.939 -10.505 246 HE ARG 34 HE ARG 34 -9.814 6.153 -8.311 247 HH11 ARG 34 HH11 ARG 34 -6.984 6.435 -10.394 248 HH12 ARG 34 HH12 ARG 34 -6.567 7.997 -9.841 249 HH21 ARG 34 HH21 ARG 34 -9.357 8.357 -7.662 250 HH22 ARG 34 HH22 ARG 34 -7.992 9.118 -8.315 251 H PHE 35 HN PHE 35 -8.025 3.501 -5.264 252 HA PHE 35 HA PHE 35 -9.004 1.948 -3.194 253 HB2 PHE 35 HB2 PHE 35 -7.976 4.779 -3.071 254 HB3 PHE 35 HB1 PHE 35 -8.212 3.735 -1.674 255 HD1 PHE 35 HD2 PHE 35 -6.952 1.492 -1.701 256 HD2 PHE 35 HD1 PHE 35 -5.967 4.805 -4.169 257 HE1 PHE 35 HE2 PHE 35 -4.682 0.596 -1.988 258 HE2 PHE 35 HE1 PHE 35 -3.704 3.918 -4.465 259 HZ PHE 35 HZ PHE 35 -3.054 1.814 -3.374 260 H GLU 36 HN GLU 36 -10.222 4.907 -4.493 261 HA GLU 36 HA GLU 36 -12.132 5.605 -2.603 262 HB2 GLU 36 HB2 GLU 36 -11.376 7.047 -4.377 263 HB3 GLU 36 HB1 GLU 36 -12.063 5.977 -5.579 264 HG2 GLU 36 HG2 GLU 36 -14.305 6.489 -4.696 265 HG3 GLU 36 HG1 GLU 36 -13.561 7.647 -3.584 266 H ASP 37 HN ASP 37 -12.262 3.208 -5.196 267 HA ASP 37 HA ASP 37 -15.118 2.863 -4.953 268 HB2 ASP 37 HB2 ASP 37 -13.923 2.447 -7.114 269 HB3 ASP 37 HB1 ASP 37 -13.145 1.051 -6.371 270 H ILE 38 HN ILE 38 -12.206 1.276 -3.852 271 HA ILE 38 HA ILE 38 -13.767 -0.787 -2.583 272 HB ILE 38 HB ILE 38 -11.593 -1.747 -1.793 273 HG12 ILE 38 HG12 ILE 38 -10.389 0.413 -3.542 274 HG13 ILE 38 HG11 ILE 38 -10.307 0.389 -1.792 275 HG21 ILE 38 HG21 ILE 38 -12.660 -2.517 -3.813 276 HG22 ILE 38 HG22 ILE 38 -10.902 -2.501 -4.034 277 HG23 ILE 38 HG23 ILE 38 -11.903 -1.214 -4.728 278 HD11 ILE 38 HD11 ILE 38 -8.225 -0.370 -2.782 279 HD12 ILE 38 HD12 ILE 38 -9.085 -1.640 -3.656 280 HD13 ILE 38 HD13 ILE 38 -8.998 -1.685 -1.895 281 H GLY 39 HN GLY 39 -13.604 2.094 -1.785 282 HA2 GLY 39 HA2 GLY 39 -14.201 3.209 0.152 283 HA3 GLY 39 HA1 GLY 39 -14.307 1.645 0.934 284 H TYR 40 HN TYR 40 -11.390 2.897 -0.547 285 HA TYR 40 HA TYR 40 -10.170 2.956 2.113 286 HB2 TYR 40 HB2 TYR 40 -9.200 2.076 -0.509 287 HB3 TYR 40 HB1 TYR 40 -8.058 3.059 0.398 288 HD1 TYR 40 HD2 TYR 40 -10.198 0.032 0.671 289 HD2 TYR 40 HD1 TYR 40 -6.779 2.132 2.088 290 HE1 TYR 40 HE2 TYR 40 -9.560 -1.908 2.035 291 HE2 TYR 40 HE1 TYR 40 -6.139 0.223 3.446 292 HH TYR 40 HH TYR 40 -7.214 -1.741 4.459 293 H ASP 41 HN ASP 41 -9.433 4.696 2.921 294 HA ASP 41 HA ASP 41 -9.284 7.145 1.293 295 HB2 ASP 41 HB2 ASP 41 -9.347 6.729 4.284 296 HB3 ASP 41 HB1 ASP 41 -8.822 8.243 3.576 297 H SER 42 HN SER 42 -7.428 8.514 1.548 298 HA SER 42 HA SER 42 -5.027 7.061 1.367 299 HB2 SER 42 HB2 SER 42 -4.463 9.799 1.725 300 HB3 SER 42 HB1 SER 42 -4.482 8.878 0.218 301 H LEU 43 HN LEU 43 -6.647 8.726 3.893 302 HA LEU 43 HA LEU 43 -4.667 8.996 5.814 303 HB2 LEU 43 HB2 LEU 43 -7.505 8.063 6.263 304 HB3 LEU 43 HB1 LEU 43 -6.444 8.747 7.476 305 HG LEU 43 HG LEU 43 -7.537 10.208 5.074 306 HD11 LEU 43 HD11 LEU 43 -9.244 9.736 6.731 307 HD12 LEU 43 HD12 LEU 43 -8.849 11.455 6.710 308 HD13 LEU 43 HD13 LEU 43 -8.225 10.423 7.996 309 HD21 LEU 43 HD21 LEU 43 -6.582 12.206 6.120 310 HD22 LEU 43 HD22 LEU 43 -5.329 11.030 5.719 311 HD23 LEU 43 HD23 LEU 43 -5.874 11.205 7.389 312 H ALA 44 HN ALA 44 -6.675 6.146 5.090 313 HA ALA 44 HA ALA 44 -5.363 4.445 6.958 314 HB1 ALA 44 HB1 ALA 44 -6.625 2.645 5.894 315 HB2 ALA 44 HB2 ALA 44 -7.087 3.733 4.584 316 HB3 ALA 44 HB3 ALA 44 -7.664 4.031 6.225 317 H LEU 45 HN LEU 45 -4.964 5.222 3.591 318 HA LEU 45 HA LEU 45 -3.156 3.203 2.932 319 HB2 LEU 45 HB2 LEU 45 -3.440 5.984 1.821 320 HB3 LEU 45 HB1 LEU 45 -2.368 4.777 1.134 321 HG LEU 45 HG LEU 45 -5.365 4.521 1.360 322 HD11 LEU 45 HD11 LEU 45 -3.593 5.018 -1.024 323 HD12 LEU 45 HD12 LEU 45 -4.686 6.192 -0.295 324 HD13 LEU 45 HD13 LEU 45 -5.331 4.743 -1.068 325 HD21 LEU 45 HD21 LEU 45 -5.051 2.540 -0.018 326 HD22 LEU 45 HD22 LEU 45 -4.180 2.386 1.516 327 HD23 LEU 45 HD23 LEU 45 -3.309 2.787 0.031 328 H MET 46 HN MET 46 -2.662 6.337 4.451 329 HA MET 46 HA MET 46 0.164 6.303 4.469 330 HB2 MET 46 HB2 MET 46 -1.711 7.582 6.477 331 HB3 MET 46 HB1 MET 46 0.019 7.855 6.423 332 HG2 MET 46 HG2 MET 46 -0.254 8.846 4.157 333 HG3 MET 46 HG1 MET 46 -1.993 8.583 4.328 334 HE1 MET 46 HE1 MET 46 -2.366 9.246 7.471 335 HE2 MET 46 HE2 MET 46 -3.487 9.797 6.230 336 HE3 MET 46 HE3 MET 46 -2.824 10.948 7.390 337 H GLU 47 HN GLU 47 -2.232 4.896 6.577 338 HA GLU 47 HA GLU 47 -0.378 4.009 8.550 339 HB2 GLU 47 HB2 GLU 47 -2.833 4.282 8.953 340 HB3 GLU 47 HB1 GLU 47 -3.115 2.917 7.899 341 HG2 GLU 47 HG2 GLU 47 -1.867 1.448 9.376 342 HG3 GLU 47 HG1 GLU 47 -1.535 2.800 10.454 343 H THR 48 HN THR 48 -1.921 2.575 5.750 344 HA THR 48 HA THR 48 -0.940 -0.017 5.812 345 HB THR 48 HB THR 48 -1.351 1.770 3.385 346 HG1 THR 48 HG1 THR 48 -3.236 1.549 4.825 347 HG21 THR 48 HG21 THR 48 -1.782 -0.325 2.170 348 HG22 THR 48 HG22 THR 48 -1.430 -1.251 3.627 349 HG23 THR 48 HG23 THR 48 -0.153 -0.319 2.844 350 H ALA 49 HN ALA 49 0.496 2.868 4.269 351 HA ALA 49 HA ALA 49 2.906 1.728 3.440 352 HB1 ALA 49 HB1 ALA 49 3.741 4.022 3.293 353 HB2 ALA 49 HB2 ALA 49 2.382 4.585 4.266 354 HB3 ALA 49 HB3 ALA 49 2.097 3.912 2.661 355 H ALA 50 HN ALA 50 2.117 3.466 6.448 356 HA ALA 50 HA ALA 50 4.622 3.418 7.658 357 HB1 ALA 50 HB1 ALA 50 2.729 4.759 8.472 358 HB2 ALA 50 HB2 ALA 50 3.456 3.802 9.763 359 HB3 ALA 50 HB3 ALA 50 1.937 3.286 9.034 360 H ARG 51 HN ARG 51 2.075 1.000 7.696 361 HA ARG 51 HA ARG 51 3.168 -0.815 9.539 362 HB2 ARG 51 HB2 ARG 51 1.488 -1.361 7.075 363 HB3 ARG 51 HB1 ARG 51 1.879 -2.575 8.278 364 HG2 ARG 51 HG2 ARG 51 0.326 -0.052 8.832 365 HG3 ARG 51 HG1 ARG 51 -0.392 -1.633 8.515 366 HD2 ARG 51 HD2 ARG 51 0.750 -2.545 10.441 367 HD3 ARG 51 HD1 ARG 51 1.488 -0.975 10.778 368 HE ARG 51 HE ARG 51 -1.409 -1.014 10.673 369 HH11 ARG 51 HH11 ARG 51 1.404 -1.424 12.803 370 HH12 ARG 51 HH12 ARG 51 0.627 -0.912 14.202 371 HH21 ARG 51 HH21 ARG 51 -2.546 -0.345 12.650 372 HH22 ARG 51 HH22 ARG 51 -1.674 -0.246 14.111 373 H LEU 52 HN LEU 52 3.663 -0.454 6.083 374 HA LEU 52 HA LEU 52 5.367 -2.739 5.950 375 HB2 LEU 52 HB2 LEU 52 4.749 -0.643 3.889 376 HB3 LEU 52 HB1 LEU 52 5.693 -2.095 3.590 377 HG LEU 52 HG LEU 52 2.795 -2.025 4.431 378 HD11 LEU 52 HD11 LEU 52 4.053 -2.733 1.795 379 HD12 LEU 52 HD12 LEU 52 3.097 -1.292 2.150 380 HD13 LEU 52 HD13 LEU 52 2.345 -2.884 2.202 381 HD21 LEU 52 HD21 LEU 52 2.836 -4.438 4.024 382 HD22 LEU 52 HD22 LEU 52 3.944 -3.981 5.318 383 HD23 LEU 52 HD23 LEU 52 4.569 -4.357 3.712 384 H GLU 53 HN GLU 53 5.903 0.712 6.231 385 HA GLU 53 HA GLU 53 8.645 0.849 5.587 386 HB2 GLU 53 HB2 GLU 53 7.203 2.332 7.783 387 HB3 GLU 53 HB1 GLU 53 8.771 2.745 7.124 388 HG2 GLU 53 HG2 GLU 53 7.704 3.185 4.964 389 HG3 GLU 53 HG1 GLU 53 6.133 2.848 5.710 390 H SER 54 HN SER 54 7.151 0.381 8.737 391 HA SER 54 HA SER 54 9.576 0.022 10.136 392 HB2 SER 54 HB2 SER 54 7.406 0.833 11.097 393 HB3 SER 54 HB1 SER 54 6.766 -0.794 10.927 394 HG SER 54 HG SER 54 9.124 -0.250 12.371 395 H ARG 55 HN ARG 55 7.570 -2.058 8.328 396 HA ARG 55 HA ARG 55 8.513 -4.513 9.541 397 HB2 ARG 55 HB2 ARG 55 6.193 -4.240 8.857 398 HB3 ARG 55 HB1 ARG 55 6.698 -3.988 7.199 399 HG2 ARG 55 HG2 ARG 55 7.486 -6.272 7.076 400 HG3 ARG 55 HG1 ARG 55 7.046 -6.526 8.771 401 HD2 ARG 55 HD2 ARG 55 4.722 -6.069 8.261 402 HD3 ARG 55 HD1 ARG 55 5.137 -5.728 6.586 403 HE ARG 55 HE ARG 55 5.519 -8.370 7.819 404 HH11 ARG 55 HH11 ARG 55 4.206 -6.320 5.265 405 HH12 ARG 55 HH12 ARG 55 3.962 -7.602 4.166 406 HH21 ARG 55 HH21 ARG 55 5.045 -10.181 6.308 407 HH22 ARG 55 HH22 ARG 55 4.367 -9.754 4.784 408 H TYR 56 HN TYR 56 9.281 -2.556 6.753 409 HA TYR 56 HA TYR 56 11.032 -4.717 5.830 410 HB2 TYR 56 HB2 TYR 56 9.522 -2.694 4.225 411 HB3 TYR 56 HB1 TYR 56 10.883 -3.587 3.556 412 HD1 TYR 56 HD2 TYR 56 10.727 -6.039 3.249 413 HD2 TYR 56 HD1 TYR 56 7.424 -3.746 4.626 414 HE1 TYR 56 HE2 TYR 56 9.215 -7.894 2.704 415 HE2 TYR 56 HE1 TYR 56 5.907 -5.591 4.083 416 HH TYR 56 HH TYR 56 6.998 -8.744 3.232 417 H GLY 57 HN GLY 57 11.128 -1.634 7.134 418 HA2 GLY 57 HA2 GLY 57 13.018 -0.444 7.705 419 HA3 GLY 57 HA1 GLY 57 13.981 -1.557 6.737 420 H VAL 58 HN VAL 58 11.185 0.305 5.764 421 HA VAL 58 HA VAL 58 12.882 1.787 3.898 422 HB VAL 58 HB VAL 58 11.148 1.704 2.163 423 HG11 VAL 58 HG11 VAL 58 12.822 -0.092 2.209 424 HG12 VAL 58 HG12 VAL 58 11.251 -0.651 1.589 425 HG13 VAL 58 HG13 VAL 58 11.718 -0.996 3.261 426 HG21 VAL 58 HG21 VAL 58 9.618 -0.107 4.030 427 HG22 VAL 58 HG22 VAL 58 9.173 0.291 2.368 428 HG23 VAL 58 HG23 VAL 58 9.171 1.551 3.603 429 H SER 59 HN SER 59 11.419 3.735 2.949 430 HA SER 59 HA SER 59 9.757 4.766 5.065 431 HB2 SER 59 HB2 SER 59 12.158 6.210 3.929 432 HB3 SER 59 HB1 SER 59 10.933 6.946 4.960 433 HG SER 59 HG SER 59 11.508 5.005 6.363 434 H ILE 60 HN ILE 60 8.068 5.767 4.331 435 HA ILE 60 HA ILE 60 7.978 6.707 1.553 436 HB ILE 60 HB ILE 60 5.787 5.165 3.014 437 HG12 ILE 60 HG12 ILE 60 5.806 3.783 0.826 438 HG13 ILE 60 HG11 ILE 60 7.377 4.511 0.540 439 HG21 ILE 60 HG21 ILE 60 4.748 7.005 1.898 440 HG22 ILE 60 HG22 ILE 60 4.354 5.483 1.092 441 HG23 ILE 60 HG23 ILE 60 5.548 6.570 0.380 442 HD11 ILE 60 HD11 ILE 60 6.592 2.834 2.891 443 HD12 ILE 60 HD12 ILE 60 8.188 3.546 2.620 444 HD13 ILE 60 HD13 ILE 60 7.571 2.306 1.518 445 HA PRO 61 HA PRO 61 6.841 10.373 3.886 446 HB2 PRO 61 HB2 PRO 61 6.108 11.370 1.186 447 HB3 PRO 61 HB1 PRO 61 7.214 12.071 2.373 448 HG2 PRO 61 HG2 PRO 61 8.143 10.898 0.164 449 HG3 PRO 61 HG1 PRO 61 8.984 10.720 1.716 450 HD2 PRO 61 HD2 PRO 61 7.174 8.799 0.305 451 HD3 PRO 61 HD1 PRO 61 8.693 8.486 1.176 452 H ASP 62 HN ASP 62 4.963 10.879 4.759 453 HA ASP 62 HA ASP 62 2.685 9.353 4.394 454 HB2 ASP 62 HB2 ASP 62 1.513 10.893 5.932 455 HB3 ASP 62 HB1 ASP 62 3.100 10.431 6.516 456 H ASP 63 HN ASP 63 3.355 12.493 2.978 457 HA ASP 63 HA ASP 63 0.849 13.224 1.988 458 HB2 ASP 63 HB2 ASP 63 3.466 13.532 0.517 459 HB3 ASP 63 HB1 ASP 63 2.024 14.506 0.319 460 H VAL 64 HN VAL 64 3.234 11.003 0.792 461 HA VAL 64 HA VAL 64 2.369 10.772 -1.880 462 HB VAL 64 HB VAL 64 3.991 8.879 -0.231 463 HG11 VAL 64 HG11 VAL 64 3.843 9.217 -3.258 464 HG12 VAL 64 HG12 VAL 64 3.239 7.836 -2.344 465 HG13 VAL 64 HG13 VAL 64 4.972 8.149 -2.427 466 HG21 VAL 64 HG21 VAL 64 4.964 11.076 -0.210 467 HG22 VAL 64 HG22 VAL 64 4.871 11.181 -1.967 468 HG23 VAL 64 HG23 VAL 64 5.960 10.019 -1.209 469 H ALA 65 HN ALA 65 1.240 9.277 1.014 470 HA ALA 65 HA ALA 65 0.196 6.969 -0.281 471 HB1 ALA 65 HB1 ALA 65 -0.653 8.161 2.328 472 HB2 ALA 65 HB2 ALA 65 0.701 7.041 2.129 473 HB3 ALA 65 HB3 ALA 65 -0.950 6.510 1.789 474 H GLY 66 HN GLY 66 -0.753 10.212 -0.134 475 HA2 GLY 66 HA2 GLY 66 -3.482 9.545 -0.903 476 HA3 GLY 66 HA1 GLY 66 -2.902 11.154 -0.492 477 H ARG 67 HN ARG 67 -0.642 9.674 -2.326 478 HA ARG 67 HA ARG 67 -1.380 11.214 -4.706 479 HB2 ARG 67 HB2 ARG 67 0.748 11.812 -3.736 480 HB3 ARG 67 HB1 ARG 67 1.241 10.134 -3.650 481 HG2 ARG 67 HG2 ARG 67 1.307 10.078 -6.123 482 HG3 ARG 67 HG1 ARG 67 0.912 11.797 -6.137 483 HD2 ARG 67 HD2 ARG 67 2.944 12.355 -5.028 484 HD3 ARG 67 HD1 ARG 67 3.298 10.659 -4.692 485 HE ARG 67 HE ARG 67 3.011 11.149 -7.473 486 HH11 ARG 67 HH11 ARG 67 5.387 11.759 -4.887 487 HH12 ARG 67 HH12 ARG 67 6.734 11.423 -5.876 488 HH21 ARG 67 HH21 ARG 67 4.844 10.770 -8.799 489 HH22 ARG 67 HH22 ARG 67 6.423 10.845 -8.176 490 H VAL 68 HN VAL 68 -1.270 8.034 -3.513 491 HA VAL 68 HA VAL 68 -0.644 6.814 -6.046 492 HB VAL 68 HB VAL 68 -0.915 4.642 -4.791 493 HG11 VAL 68 HG11 VAL 68 0.986 6.658 -3.603 494 HG12 VAL 68 HG12 VAL 68 1.264 5.682 -5.047 495 HG13 VAL 68 HG13 VAL 68 1.136 4.906 -3.468 496 HG21 VAL 68 HG21 VAL 68 -1.010 4.705 -2.336 497 HG22 VAL 68 HG22 VAL 68 -2.474 5.388 -3.042 498 HG23 VAL 68 HG23 VAL 68 -1.232 6.453 -2.385 499 H ASP 69 HN ASP 69 -2.119 6.798 -7.517 500 HA ASP 69 HA ASP 69 -4.929 6.930 -7.046 501 HB2 ASP 69 HB2 ASP 69 -3.337 6.333 -9.543 502 HB3 ASP 69 HB1 ASP 69 -5.090 6.395 -9.523 503 H THR 70 HN THR 70 -2.683 4.334 -7.757 504 HA THR 70 HA THR 70 -4.844 2.393 -7.396 505 HB THR 70 HB THR 70 -3.574 0.922 -8.962 506 HG1 THR 70 HG1 THR 70 -2.197 2.822 -10.298 507 HG21 THR 70 HG21 THR 70 -4.459 3.555 -10.173 508 HG22 THR 70 HG22 THR 70 -5.522 2.203 -9.783 509 HG23 THR 70 HG23 THR 70 -4.300 2.028 -11.044 510 HA PRO 71 HA PRO 71 -2.123 0.521 -4.349 511 HB2 PRO 71 HB2 PRO 71 -2.918 -2.092 -5.541 512 HB3 PRO 71 HB1 PRO 71 -3.049 -1.539 -3.865 513 HG2 PRO 71 HG2 PRO 71 -5.209 -1.707 -5.367 514 HG3 PRO 71 HG1 PRO 71 -4.979 -0.317 -4.286 515 HD2 PRO 71 HD2 PRO 71 -4.532 -0.500 -7.251 516 HD3 PRO 71 HD1 PRO 71 -5.337 0.780 -6.317 517 H ARG 72 HN ARG 72 -1.999 -0.237 -7.708 518 HA ARG 72 HA ARG 72 0.402 -1.695 -7.825 519 HB2 ARG 72 HB2 ARG 72 -1.152 -1.467 -9.721 520 HB3 ARG 72 HB1 ARG 72 -0.718 0.232 -9.860 521 HG2 ARG 72 HG2 ARG 72 1.604 -0.427 -10.333 522 HG3 ARG 72 HG1 ARG 72 1.115 -2.121 -10.257 523 HD2 ARG 72 HD2 ARG 72 0.060 -0.056 -12.168 524 HD3 ARG 72 HD1 ARG 72 1.231 -1.310 -12.552 525 HE ARG 72 HE ARG 72 -0.955 -2.624 -11.546 526 HH11 ARG 72 HH11 ARG 72 -0.250 -0.521 -14.280 527 HH12 ARG 72 HH12 ARG 72 -1.470 -1.094 -15.288 528 HH21 ARG 72 HH21 ARG 72 -2.704 -3.518 -12.940 529 HH22 ARG 72 HH22 ARG 72 -2.917 -2.852 -14.478 530 H GLU 73 HN GLU 73 -0.267 1.773 -8.085 531 HA GLU 73 HA GLU 73 2.374 2.663 -8.446 532 HB2 GLU 73 HB2 GLU 73 0.286 4.001 -8.805 533 HB3 GLU 73 HB1 GLU 73 0.087 4.086 -7.064 534 HG2 GLU 73 HG2 GLU 73 1.002 6.150 -7.853 535 HG3 GLU 73 HG1 GLU 73 2.230 5.303 -6.918 536 H LEU 74 HN LEU 74 0.443 2.052 -5.597 537 HA LEU 74 HA LEU 74 2.267 3.002 -3.653 538 HB2 LEU 74 HB2 LEU 74 -0.195 2.690 -3.330 539 HB3 LEU 74 HB1 LEU 74 0.031 0.965 -3.381 540 HG LEU 74 HG LEU 74 -0.389 1.940 -1.112 541 HD11 LEU 74 HD11 LEU 74 1.283 0.642 0.087 542 HD12 LEU 74 HD12 LEU 74 2.216 0.477 -1.401 543 HD13 LEU 74 HD13 LEU 74 0.612 -0.246 -1.281 544 HD21 LEU 74 HD21 LEU 74 0.872 3.996 -1.321 545 HD22 LEU 74 HD22 LEU 74 2.376 3.086 -1.453 546 HD23 LEU 74 HD23 LEU 74 1.458 3.059 0.053 547 H LEU 75 HN LEU 75 1.568 -0.272 -4.861 548 HA LEU 75 HA LEU 75 3.442 -1.685 -3.335 549 HB2 LEU 75 HB2 LEU 75 1.620 -2.733 -4.612 550 HB3 LEU 75 HB1 LEU 75 2.403 -2.276 -6.108 551 HG LEU 75 HG LEU 75 4.310 -3.762 -5.514 552 HD11 LEU 75 HD11 LEU 75 4.023 -5.399 -3.730 553 HD12 LEU 75 HD12 LEU 75 2.523 -4.609 -3.246 554 HD13 LEU 75 HD13 LEU 75 4.058 -3.752 -3.102 555 HD21 LEU 75 HD21 LEU 75 2.531 -4.544 -6.982 556 HD22 LEU 75 HD22 LEU 75 1.601 -5.083 -5.584 557 HD23 LEU 75 HD23 LEU 75 3.139 -5.856 -5.973 558 H ASP 76 HN ASP 76 3.655 -0.321 -6.579 559 HA ASP 76 HA ASP 76 6.252 -1.105 -7.235 560 HB2 ASP 76 HB2 ASP 76 4.657 -0.224 -8.874 561 HB3 ASP 76 HB1 ASP 76 4.738 1.360 -8.111 562 H LEU 77 HN LEU 77 5.062 1.801 -5.671 563 HA LEU 77 HA LEU 77 7.391 3.278 -5.353 564 HB2 LEU 77 HB2 LEU 77 5.202 4.134 -4.782 565 HB3 LEU 77 HB1 LEU 77 5.027 2.939 -3.518 566 HG LEU 77 HG LEU 77 6.911 4.027 -2.314 567 HD11 LEU 77 HD11 LEU 77 7.989 5.112 -4.187 568 HD12 LEU 77 HD12 LEU 77 7.557 6.280 -2.942 569 HD13 LEU 77 HD13 LEU 77 6.585 6.158 -4.410 570 HD21 LEU 77 HD21 LEU 77 5.574 5.918 -1.529 571 HD22 LEU 77 HD22 LEU 77 4.602 4.459 -1.715 572 HD23 LEU 77 HD23 LEU 77 4.505 5.741 -2.920 573 H ILE 78 HN ILE 78 5.931 0.989 -3.094 574 HA ILE 78 HA ILE 78 8.076 1.100 -1.285 575 HB ILE 78 HB ILE 78 5.863 -0.969 -1.509 576 HG12 ILE 78 HG12 ILE 78 6.193 1.494 0.219 577 HG13 ILE 78 HG11 ILE 78 5.114 1.344 -1.159 578 HG21 ILE 78 HG21 ILE 78 7.786 -1.856 -0.238 579 HG22 ILE 78 HG22 ILE 78 6.416 -1.544 0.827 580 HG23 ILE 78 HG23 ILE 78 7.776 -0.419 0.784 581 HD11 ILE 78 HD11 ILE 78 3.923 1.164 0.935 582 HD12 ILE 78 HD12 ILE 78 4.936 -0.203 1.408 583 HD13 ILE 78 HD13 ILE 78 3.840 -0.346 0.031 584 H ASN 79 HN ASN 79 7.334 -1.104 -3.934 585 HA ASN 79 HA ASN 79 9.448 -2.926 -3.492 586 HB2 ASN 79 HB2 ASN 79 7.973 -2.131 -5.994 587 HB3 ASN 79 HB1 ASN 79 9.386 -3.163 -6.107 588 HD21 ASN 79 HD21 ASN 79 7.065 -3.347 -3.442 589 HD22 ASN 79 HD22 ASN 79 6.445 -4.890 -3.912 590 H GLY 80 HN GLY 80 9.363 0.147 -5.192 591 HA2 GLY 80 HA2 GLY 80 12.017 0.110 -6.155 592 HA3 GLY 80 HA1 GLY 80 11.036 1.548 -5.893 593 H ALA 81 HN ALA 81 10.591 1.324 -3.175 594 HA ALA 81 HA ALA 81 12.987 2.354 -2.077 595 HB1 ALA 81 HB1 ALA 81 10.526 1.348 -0.635 596 HB2 ALA 81 HB2 ALA 81 10.767 2.991 -1.232 597 HB3 ALA 81 HB3 ALA 81 11.789 2.363 0.062 598 H LEU 82 HN LEU 82 11.409 -0.774 -1.876 599 HA LEU 82 HA LEU 82 13.058 -2.060 -0.018 600 HB2 LEU 82 HB2 LEU 82 11.443 -3.116 -2.315 601 HB3 LEU 82 HB1 LEU 82 12.300 -4.161 -1.203 602 HG LEU 82 HG LEU 82 10.143 -2.222 -0.374 603 HD11 LEU 82 HD11 LEU 82 8.729 -4.204 -0.162 604 HD12 LEU 82 HD12 LEU 82 10.021 -5.201 -0.830 605 HD13 LEU 82 HD13 LEU 82 9.250 -3.972 -1.829 606 HD21 LEU 82 HD21 LEU 82 10.187 -3.509 1.684 607 HD22 LEU 82 HD22 LEU 82 11.754 -2.767 1.357 608 HD23 LEU 82 HD23 LEU 82 11.509 -4.488 1.049 609 H ALA 83 HN ALA 83 13.406 -1.612 -3.456 610 HA ALA 83 HA ALA 83 15.566 -3.426 -3.764 611 HB1 ALA 83 HB1 ALA 83 15.789 -2.473 -5.992 612 HB2 ALA 83 HB2 ALA 83 14.717 -1.146 -5.544 613 HB3 ALA 83 HB3 ALA 83 14.096 -2.794 -5.616 614 H GLU 84 HN GLU 84 15.344 -0.150 -2.732 615 HA GLU 84 HA GLU 84 18.215 0.177 -3.144 616 HB2 GLU 84 HB2 GLU 84 16.856 1.959 -4.055 617 HB3 GLU 84 HB1 GLU 84 16.130 2.246 -2.478 618 HG2 GLU 84 HG2 GLU 84 18.234 2.983 -1.587 619 HG3 GLU 84 HG1 GLU 84 19.057 2.550 -3.083 620 H ALA 85 HN ALA 85 15.790 0.475 -0.557 621 HA ALA 85 HA ALA 85 17.900 0.955 1.346 622 HB1 ALA 85 HB1 ALA 85 16.137 1.246 2.993 623 HB2 ALA 85 HB2 ALA 85 14.936 0.673 1.836 624 HB3 ALA 85 HB3 ALA 85 15.783 2.192 1.547 625 H ALA 86 HN ALA 86 18.968 -1.013 0.970 626 HA ALA 86 HA ALA 86 18.415 -2.927 2.982 627 HB1 ALA 86 HB1 ALA 86 18.253 -4.896 1.506 628 HB2 ALA 86 HB2 ALA 86 18.222 -3.836 0.096 629 HB3 ALA 86 HB3 ALA 86 16.890 -3.802 1.253 630 H28 SXV 87 H28A SXV 87 -4.815 11.932 3.393 631 H28A SXV 87 H28B SXV 87 -4.085 11.092 2.029 632 H30 SXV 87 H30C SXV 87 -1.920 11.756 2.440 633 H30A SXV 87 H30A SXV 87 -2.463 12.502 3.939 634 H30B SXV 87 H30B SXV 87 -1.477 13.420 2.793 635 H31 SXV 87 H31C SXV 87 -2.491 14.174 0.600 636 H31A SXV 87 H31A SXV 87 -4.119 13.634 0.183 637 H31B SXV 87 H31B SXV 87 -2.801 12.467 0.286 638 H32 SXV 87 H32A SXV 87 -4.448 14.361 3.820 639 HO33 SXV 87 H33A SXV 87 -4.767 15.870 1.722 640 HN36 SXV 87 H36A SXV 87 -2.122 14.792 4.310 641 H37 SXV 87 H37B SXV 87 -1.314 17.324 4.489 642 H37A SXV 87 H37A SXV 87 -0.623 16.836 2.938 643 H38 SXV 87 H38B SXV 87 0.496 14.953 4.042 644 H38A SXV 87 H38A SXV 87 -0.240 15.414 5.575 645 HN41 SXV 87 H41A SXV 87 2.255 15.072 5.705 646 H42 SXV 87 H42B SXV 87 3.584 17.700 5.605 647 H42A SXV 87 H42A SXV 87 4.406 16.140 5.498 648 H43 SXV 87 H43B SXV 87 3.754 15.633 7.792 649 H43A SXV 87 H43A SXV 87 4.715 17.109 7.682 650 H1 SXV 87 H1B SXV 87 4.024 17.779 10.090 651 H1A SXV 87 H1A SXV 87 2.357 17.983 10.656 652 H2 SXV 87 H2A SXV 87 3.522 15.337 9.899 653 H2A SXV 87 H2B SXV 87 1.909 15.664 10.512 654 H4 SXV 87 H4C SXV 87 3.024 17.775 12.759 655 H4A SXV 87 H4A SXV 87 3.306 16.528 13.981 656 H4B SXV 87 H4B SXV 87 1.780 16.560 13.090 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 16.664 -11.179 -3.092 2 H2 MET 1 HT2 MET 1 17.517 -11.956 -4.309 3 H3 MET 1 HT3 MET 1 16.612 -10.554 -4.625 4 HA MET 1 HA MET 1 18.916 -10.658 -2.771 5 HB2 MET 1 HB2 MET 1 18.705 -9.362 -5.517 6 HB3 MET 1 HB1 MET 1 20.078 -9.204 -4.429 7 HG2 MET 1 HG2 MET 1 20.560 -11.558 -4.615 8 HG3 MET 1 HG1 MET 1 19.115 -11.810 -5.587 9 HE1 MET 1 HE1 MET 1 22.706 -10.232 -5.458 10 HE2 MET 1 HE2 MET 1 21.690 -8.831 -5.798 11 HE3 MET 1 HE3 MET 1 22.805 -9.432 -7.026 12 H ALA 2 HN ALA 2 17.105 -8.301 -4.754 13 HA ALA 2 HA ALA 2 16.860 -6.575 -2.441 14 HB1 ALA 2 HB1 ALA 2 15.865 -6.320 -5.300 15 HB2 ALA 2 HB2 ALA 2 17.301 -5.541 -4.636 16 HB3 ALA 2 HB3 ALA 2 15.701 -5.075 -4.062 17 H THR 3 HN THR 3 15.313 -7.164 -1.048 18 HA THR 3 HA THR 3 13.312 -9.038 -1.714 19 HB THR 3 HB THR 3 13.463 -7.220 0.612 20 HG1 THR 3 HG1 THR 3 14.674 -9.807 0.397 21 HG21 THR 3 HG21 THR 3 12.397 -10.036 0.298 22 HG22 THR 3 HG22 THR 3 11.430 -8.573 0.474 23 HG23 THR 3 HG23 THR 3 12.430 -9.133 1.814 24 H LEU 4 HN LEU 4 11.791 -8.392 -3.091 25 HA LEU 4 HA LEU 4 10.505 -5.789 -2.710 26 HB2 LEU 4 HB2 LEU 4 10.349 -7.679 -5.057 27 HB3 LEU 4 HB1 LEU 4 9.632 -6.087 -4.963 28 HG LEU 4 HG LEU 4 12.574 -6.732 -5.090 29 HD11 LEU 4 HD11 LEU 4 12.459 -5.603 -7.249 30 HD12 LEU 4 HD12 LEU 4 10.719 -5.406 -7.051 31 HD13 LEU 4 HD13 LEU 4 11.413 -7.022 -7.194 32 HD21 LEU 4 HD21 LEU 4 12.916 -4.307 -5.210 33 HD22 LEU 4 HD22 LEU 4 12.190 -4.779 -3.674 34 HD23 LEU 4 HD23 LEU 4 11.193 -4.050 -4.932 35 H LEU 5 HN LEU 5 8.591 -5.846 -1.744 36 HA LEU 5 HA LEU 5 7.359 -8.330 -1.233 37 HB2 LEU 5 HB2 LEU 5 5.590 -7.018 -0.078 38 HB3 LEU 5 HB1 LEU 5 7.201 -6.727 0.511 39 HG LEU 5 HG LEU 5 7.165 -4.550 -0.797 40 HD11 LEU 5 HD11 LEU 5 5.345 -5.054 -2.341 41 HD12 LEU 5 HD12 LEU 5 4.993 -3.621 -1.373 42 HD13 LEU 5 HD13 LEU 5 4.221 -5.162 -0.985 43 HD21 LEU 5 HD21 LEU 5 5.790 -3.423 0.892 44 HD22 LEU 5 HD22 LEU 5 6.876 -4.626 1.584 45 HD23 LEU 5 HD23 LEU 5 5.161 -4.989 1.396 46 H THR 6 HN THR 6 5.127 -8.824 -1.711 47 HA THR 6 HA THR 6 4.584 -8.039 -4.444 48 HB THR 6 HB THR 6 3.612 -10.398 -4.650 49 HG1 THR 6 HG1 THR 6 4.429 -10.513 -2.078 50 HG21 THR 6 HG21 THR 6 6.589 -10.003 -4.321 51 HG22 THR 6 HG22 THR 6 5.651 -9.659 -5.774 52 HG23 THR 6 HG23 THR 6 5.824 -11.322 -5.208 53 H THR 7 HN THR 7 2.195 -9.360 -4.831 54 HA THR 7 HA THR 7 0.373 -7.489 -4.033 55 HB THR 7 HB THR 7 -1.283 -9.383 -4.677 56 HG1 THR 7 HG1 THR 7 -0.419 -11.137 -5.551 57 HG21 THR 7 HG21 THR 7 -0.793 -8.988 -7.055 58 HG22 THR 7 HG22 THR 7 0.786 -8.340 -6.619 59 HG23 THR 7 HG23 THR 7 -0.681 -7.495 -6.121 60 H ASP 8 HN ASP 8 0.752 -10.798 -2.671 61 HA ASP 8 HA ASP 8 -1.321 -10.480 -0.792 62 HB2 ASP 8 HB2 ASP 8 0.961 -12.419 -0.897 63 HB3 ASP 8 HB1 ASP 8 -0.087 -12.357 0.515 64 H ASP 9 HN ASP 9 2.014 -9.564 -0.580 65 HA ASP 9 HA ASP 9 2.201 -9.068 2.192 66 HB2 ASP 9 HB2 ASP 9 3.492 -7.485 -0.049 67 HB3 ASP 9 HB1 ASP 9 4.007 -7.511 1.627 68 H LEU 10 HN LEU 10 1.473 -6.914 -0.506 69 HA LEU 10 HA LEU 10 0.775 -4.650 1.045 70 HB2 LEU 10 HB2 LEU 10 1.478 -4.528 -1.311 71 HB3 LEU 10 HB1 LEU 10 0.022 -5.371 -1.790 72 HG LEU 10 HG LEU 10 -1.324 -3.449 -1.019 73 HD11 LEU 10 HD11 LEU 10 0.173 -2.597 0.697 74 HD12 LEU 10 HD12 LEU 10 -0.222 -1.339 -0.475 75 HD13 LEU 10 HD13 LEU 10 1.346 -2.143 -0.538 76 HD21 LEU 10 HD21 LEU 10 -0.680 -1.919 -2.818 77 HD22 LEU 10 HD22 LEU 10 -0.642 -3.598 -3.349 78 HD23 LEU 10 HD23 LEU 10 0.863 -2.757 -2.977 79 H ARG 11 HN ARG 11 -1.062 -7.240 -0.387 80 HA ARG 11 HA ARG 11 -3.698 -6.503 0.041 81 HB2 ARG 11 HB2 ARG 11 -2.993 -8.474 -1.207 82 HB3 ARG 11 HB1 ARG 11 -2.382 -9.210 0.258 83 HG2 ARG 11 HG2 ARG 11 -4.690 -9.302 1.124 84 HG3 ARG 11 HG1 ARG 11 -5.257 -8.659 -0.426 85 HD2 ARG 11 HD2 ARG 11 -4.213 -10.562 -1.575 86 HD3 ARG 11 HD1 ARG 11 -3.696 -11.208 -0.022 87 HE ARG 11 HE ARG 11 -6.473 -10.760 -0.053 88 HH11 ARG 11 HH11 ARG 11 -3.971 -13.111 -1.074 89 HH12 ARG 11 HH12 ARG 11 -5.075 -14.371 -1.360 90 HH21 ARG 11 HH21 ARG 11 -7.987 -12.524 -0.441 91 HH22 ARG 11 HH22 ARG 11 -7.412 -14.039 -0.988 92 H ARG 12 HN ARG 12 -1.566 -8.368 2.193 93 HA ARG 12 HA ARG 12 -3.479 -8.445 4.278 94 HB2 ARG 12 HB2 ARG 12 -0.525 -9.070 4.293 95 HB3 ARG 12 HB1 ARG 12 -1.607 -9.371 5.650 96 HG2 ARG 12 HG2 ARG 12 -2.908 -10.920 4.346 97 HG3 ARG 12 HG1 ARG 12 -1.977 -10.537 2.900 98 HD2 ARG 12 HD2 ARG 12 -1.240 -12.641 3.807 99 HD3 ARG 12 HD1 ARG 12 0.032 -11.440 3.991 100 HE ARG 12 HE ARG 12 -1.523 -11.509 6.330 101 HH11 ARG 12 HH11 ARG 12 0.868 -13.513 4.616 102 HH12 ARG 12 HH12 ARG 12 1.389 -14.307 6.031 103 HH21 ARG 12 HH21 ARG 12 -0.818 -12.564 8.192 104 HH22 ARG 12 HH22 ARG 12 0.440 -13.728 8.145 105 H ALA 13 HN ALA 13 -0.872 -6.270 3.492 106 HA ALA 13 HA ALA 13 -0.832 -4.845 5.939 107 HB1 ALA 13 HB1 ALA 13 0.267 -3.070 4.686 108 HB2 ALA 13 HB2 ALA 13 -0.196 -3.842 3.170 109 HB3 ALA 13 HB3 ALA 13 0.939 -4.644 4.259 110 H LEU 14 HN LEU 14 -2.809 -4.552 3.037 111 HA LEU 14 HA LEU 14 -4.187 -2.224 3.846 112 HB2 LEU 14 HB2 LEU 14 -5.066 -4.455 2.004 113 HB3 LEU 14 HB1 LEU 14 -5.964 -2.971 2.238 114 HG LEU 14 HG LEU 14 -3.191 -3.162 1.050 115 HD11 LEU 14 HD11 LEU 14 -5.857 -2.607 -0.237 116 HD12 LEU 14 HD12 LEU 14 -4.905 -4.079 -0.416 117 HD13 LEU 14 HD13 LEU 14 -4.287 -2.549 -1.041 118 HD21 LEU 14 HD21 LEU 14 -5.055 -0.809 1.344 119 HD22 LEU 14 HD22 LEU 14 -3.515 -0.803 0.486 120 HD23 LEU 14 HD23 LEU 14 -3.552 -1.057 2.231 121 H VAL 15 HN VAL 15 -4.720 -5.641 4.407 122 HA VAL 15 HA VAL 15 -7.168 -5.441 5.794 123 HB VAL 15 HB VAL 15 -4.917 -7.450 6.232 124 HG11 VAL 15 HG11 VAL 15 -7.846 -7.640 6.940 125 HG12 VAL 15 HG12 VAL 15 -6.511 -7.459 8.077 126 HG13 VAL 15 HG13 VAL 15 -6.658 -8.932 7.121 127 HG21 VAL 15 HG21 VAL 15 -5.665 -7.432 3.915 128 HG22 VAL 15 HG22 VAL 15 -7.339 -7.615 4.440 129 HG23 VAL 15 HG23 VAL 15 -6.180 -8.915 4.719 130 H GLU 16 HN GLU 16 -3.807 -5.338 6.894 131 HA GLU 16 HA GLU 16 -4.092 -5.002 9.616 132 HB2 GLU 16 HB2 GLU 16 -1.990 -3.705 7.850 133 HB3 GLU 16 HB1 GLU 16 -1.945 -3.848 9.593 134 HG2 GLU 16 HG2 GLU 16 -2.077 -6.182 7.722 135 HG3 GLU 16 HG1 GLU 16 -0.618 -5.482 8.421 136 H SER 17 HN SER 17 -4.587 -2.704 7.069 137 HA SER 17 HA SER 17 -4.604 -0.424 8.863 138 HB2 SER 17 HB2 SER 17 -5.094 -0.540 5.896 139 HB3 SER 17 HB1 SER 17 -4.721 0.893 6.861 140 HG SER 17 HG SER 17 -3.034 -1.363 6.464 141 H ALA 18 HN ALA 18 -6.844 -1.875 6.478 142 HA ALA 18 HA ALA 18 -8.984 -0.149 7.132 143 HB1 ALA 18 HB1 ALA 18 -9.049 -2.760 5.639 144 HB2 ALA 18 HB2 ALA 18 -8.713 -1.178 4.933 145 HB3 ALA 18 HB3 ALA 18 -10.297 -1.515 5.631 146 H GLY 19 HN GLY 19 -7.947 -3.172 8.471 147 HA2 GLY 19 HA2 GLY 19 -8.740 -4.182 10.408 148 HA3 GLY 19 HA1 GLY 19 -10.092 -3.046 10.420 149 H GLU 20 HN GLU 20 -11.718 -3.333 8.784 150 HA GLU 20 HA GLU 20 -12.261 -6.139 8.299 151 HB2 GLU 20 HB2 GLU 20 -14.506 -5.351 7.586 152 HB3 GLU 20 HB1 GLU 20 -14.125 -4.850 9.224 153 HG2 GLU 20 HG2 GLU 20 -13.666 -2.606 8.481 154 HG3 GLU 20 HG1 GLU 20 -13.861 -3.089 6.795 155 H THR 21 HN THR 21 -12.165 -6.976 6.327 156 HA THR 21 HA THR 21 -11.920 -5.224 4.030 157 HB THR 21 HB THR 21 -9.875 -7.429 4.572 158 HG1 THR 21 HG1 THR 21 -10.060 -4.843 5.431 159 HG21 THR 21 HG21 THR 21 -8.624 -6.349 2.751 160 HG22 THR 21 HG22 THR 21 -9.902 -5.147 2.574 161 HG23 THR 21 HG23 THR 21 -10.224 -6.836 2.188 162 H ASP 22 HN ASP 22 -14.141 -6.402 4.510 163 HA ASP 22 HA ASP 22 -14.181 -8.955 3.031 164 HB2 ASP 22 HB2 ASP 22 -15.207 -8.987 5.312 165 HB3 ASP 22 HB1 ASP 22 -16.346 -7.754 4.782 166 H GLY 23 HN GLY 23 -15.673 -5.771 3.344 167 HA2 GLY 23 HA2 GLY 23 -17.142 -6.103 0.838 168 HA3 GLY 23 HA1 GLY 23 -17.245 -4.734 1.942 169 H THR 24 HN THR 24 -14.223 -5.895 1.234 170 HA THR 24 HA THR 24 -13.646 -4.026 -0.902 171 HB THR 24 HB THR 24 -12.022 -4.303 1.670 172 HG1 THR 24 HG1 THR 24 -14.181 -2.810 1.050 173 HG21 THR 24 HG21 THR 24 -10.777 -2.367 0.802 174 HG22 THR 24 HG22 THR 24 -11.778 -2.371 -0.650 175 HG23 THR 24 HG23 THR 24 -10.692 -3.722 -0.323 176 H ASP 25 HN ASP 25 -13.415 -5.727 -2.252 177 HA ASP 25 HA ASP 25 -12.145 -8.183 -1.421 178 HB2 ASP 25 HB2 ASP 25 -14.141 -8.320 -2.790 179 HB3 ASP 25 HB1 ASP 25 -13.364 -7.387 -4.062 180 H LEU 26 HN LEU 26 -10.106 -8.377 -1.395 181 HA LEU 26 HA LEU 26 -8.381 -6.948 -3.308 182 HB2 LEU 26 HB2 LEU 26 -7.997 -8.077 -0.579 183 HB3 LEU 26 HB1 LEU 26 -6.613 -7.916 -1.629 184 HG LEU 26 HG LEU 26 -6.751 -5.531 -1.596 185 HD11 LEU 26 HD11 LEU 26 -8.518 -4.306 -0.460 186 HD12 LEU 26 HD12 LEU 26 -9.350 -5.817 -0.086 187 HD13 LEU 26 HD13 LEU 26 -9.202 -5.282 -1.760 188 HD21 LEU 26 HD21 LEU 26 -7.352 -6.712 1.057 189 HD22 LEU 26 HD22 LEU 26 -6.644 -5.107 0.810 190 HD23 LEU 26 HD23 LEU 26 -5.764 -6.573 0.307 191 H SER 27 HN SER 27 -9.866 -9.684 -3.153 192 HA SER 27 HA SER 27 -7.962 -11.724 -3.495 193 HB2 SER 27 HB2 SER 27 -10.745 -11.682 -4.647 194 HB3 SER 27 HB1 SER 27 -9.793 -13.086 -4.153 195 HG SER 27 HG SER 27 -11.405 -11.506 -2.747 196 H GLY 28 HN GLY 28 -6.973 -12.533 -5.258 197 HA2 GLY 28 HA2 GLY 28 -6.322 -12.826 -7.455 198 HA3 GLY 28 HA1 GLY 28 -7.680 -11.821 -7.951 199 H ASP 29 HN ASP 29 -7.193 -9.952 -8.794 200 HA ASP 29 HA ASP 29 -4.671 -8.682 -7.998 201 HB2 ASP 29 HB2 ASP 29 -4.639 -9.262 -10.394 202 HB3 ASP 29 HB1 ASP 29 -6.130 -8.349 -10.631 203 H PHE 30 HN PHE 30 -4.977 -7.053 -6.797 204 HA PHE 30 HA PHE 30 -7.483 -5.591 -7.030 205 HB2 PHE 30 HB2 PHE 30 -7.050 -4.784 -4.727 206 HB3 PHE 30 HB1 PHE 30 -7.146 -6.535 -4.840 207 HD1 PHE 30 HD2 PHE 30 -4.975 -7.867 -4.799 208 HD2 PHE 30 HD1 PHE 30 -5.184 -3.739 -3.809 209 HE1 PHE 30 HE2 PHE 30 -2.821 -8.041 -3.635 210 HE2 PHE 30 HE1 PHE 30 -3.041 -3.905 -2.643 211 HZ PHE 30 HZ PHE 30 -1.848 -6.059 -2.553 212 H LEU 31 HN LEU 31 -4.677 -5.405 -8.405 213 HA LEU 31 HA LEU 31 -3.822 -2.749 -7.738 214 HB2 LEU 31 HB2 LEU 31 -2.969 -4.770 -9.782 215 HB3 LEU 31 HB1 LEU 31 -2.409 -3.122 -9.882 216 HG LEU 31 HG LEU 31 -1.296 -3.358 -7.707 217 HD11 LEU 31 HD11 LEU 31 -2.183 -6.232 -7.795 218 HD12 LEU 31 HD12 LEU 31 -2.736 -4.996 -6.656 219 HD13 LEU 31 HD13 LEU 31 -1.045 -5.508 -6.653 220 HD21 LEU 31 HD21 LEU 31 0.467 -4.880 -8.436 221 HD22 LEU 31 HD22 LEU 31 -0.095 -3.828 -9.742 222 HD23 LEU 31 HD23 LEU 31 -0.612 -5.509 -9.687 223 H ASP 32 HN ASP 32 -5.798 -4.298 -10.100 224 HA ASP 32 HA ASP 32 -6.028 -2.113 -11.890 225 HB2 ASP 32 HB2 ASP 32 -6.560 -4.356 -12.629 226 HB3 ASP 32 HB1 ASP 32 -7.857 -4.478 -11.448 227 H LEU 33 HN LEU 33 -7.642 -2.838 -8.909 228 HA LEU 33 HA LEU 33 -9.735 -0.920 -9.470 229 HB2 LEU 33 HB2 LEU 33 -10.700 -1.584 -7.286 230 HB3 LEU 33 HB1 LEU 33 -10.501 -2.927 -8.378 231 HG LEU 33 HG LEU 33 -8.385 -3.478 -7.017 232 HD11 LEU 33 HD11 LEU 33 -8.376 -2.736 -4.698 233 HD12 LEU 33 HD12 LEU 33 -9.729 -1.655 -5.031 234 HD13 LEU 33 HD13 LEU 33 -8.170 -1.378 -5.806 235 HD21 LEU 33 HD21 LEU 33 -9.700 -4.683 -5.347 236 HD22 LEU 33 HD22 LEU 33 -10.405 -4.802 -6.960 237 HD23 LEU 33 HD23 LEU 33 -11.110 -3.709 -5.767 238 H ARG 34 HN ARG 34 -10.219 0.711 -7.615 239 HA ARG 34 HA ARG 34 -7.606 1.722 -6.742 240 HB2 ARG 34 HB2 ARG 34 -9.865 3.465 -7.679 241 HB3 ARG 34 HB1 ARG 34 -8.323 4.016 -7.051 242 HG2 ARG 34 HG2 ARG 34 -7.363 2.614 -9.009 243 HG3 ARG 34 HG1 ARG 34 -8.987 2.811 -9.678 244 HD2 ARG 34 HD2 ARG 34 -7.080 4.949 -8.814 245 HD3 ARG 34 HD1 ARG 34 -7.572 4.592 -10.468 246 HE ARG 34 HE ARG 34 -9.778 5.310 -8.758 247 HH11 ARG 34 HH11 ARG 34 -7.275 6.508 -10.937 248 HH12 ARG 34 HH12 ARG 34 -7.928 8.070 -11.103 249 HH21 ARG 34 HH21 ARG 34 -10.700 7.567 -8.928 250 HH22 ARG 34 HH22 ARG 34 -9.889 8.659 -9.926 251 H PHE 35 HN PHE 35 -7.691 3.303 -5.037 252 HA PHE 35 HA PHE 35 -9.064 2.185 -2.817 253 HB2 PHE 35 HB2 PHE 35 -7.447 4.725 -2.975 254 HB3 PHE 35 HB1 PHE 35 -7.870 3.850 -1.508 255 HD1 PHE 35 HD2 PHE 35 -7.089 1.359 -1.426 256 HD2 PHE 35 HD1 PHE 35 -5.458 4.330 -3.985 257 HE1 PHE 35 HE2 PHE 35 -5.041 0.018 -1.674 258 HE2 PHE 35 HE1 PHE 35 -3.431 3.013 -4.257 259 HZ PHE 35 HZ PHE 35 -3.201 0.846 -3.089 260 H GLU 36 HN GLU 36 -9.343 5.111 -4.710 261 HA GLU 36 HA GLU 36 -11.264 6.518 -3.274 262 HB2 GLU 36 HB2 GLU 36 -10.047 7.378 -5.210 263 HB3 GLU 36 HB1 GLU 36 -10.878 6.238 -6.252 264 HG2 GLU 36 HG2 GLU 36 -13.001 7.363 -5.732 265 HG3 GLU 36 HG1 GLU 36 -12.105 8.539 -4.766 266 H ASP 37 HN ASP 37 -11.563 3.913 -5.560 267 HA ASP 37 HA ASP 37 -14.400 3.945 -5.752 268 HB2 ASP 37 HB2 ASP 37 -13.024 3.120 -7.556 269 HB3 ASP 37 HB1 ASP 37 -12.379 1.855 -6.521 270 H ILE 38 HN ILE 38 -12.073 1.983 -3.943 271 HA ILE 38 HA ILE 38 -14.212 0.419 -2.770 272 HB ILE 38 HB ILE 38 -12.443 -0.820 -1.558 273 HG12 ILE 38 HG12 ILE 38 -10.556 1.059 -3.016 274 HG13 ILE 38 HG11 ILE 38 -10.811 0.997 -1.280 275 HG21 ILE 38 HG21 ILE 38 -11.997 -0.482 -4.504 276 HG22 ILE 38 HG22 ILE 38 -13.164 -1.566 -3.729 277 HG23 ILE 38 HG23 ILE 38 -11.424 -1.844 -3.531 278 HD11 ILE 38 HD11 ILE 38 -9.581 -1.172 -2.974 279 HD12 ILE 38 HD12 ILE 38 -9.847 -1.265 -1.235 280 HD13 ILE 38 HD13 ILE 38 -8.722 -0.075 -1.895 281 H GLY 39 HN GLY 39 -13.651 3.322 -2.198 282 HA2 GLY 39 HA2 GLY 39 -13.950 4.801 -0.432 283 HA3 GLY 39 HA1 GLY 39 -14.747 3.464 0.382 284 H TYR 40 HN TYR 40 -11.398 3.964 -0.623 285 HA TYR 40 HA TYR 40 -10.571 3.301 2.114 286 HB2 TYR 40 HB2 TYR 40 -9.961 1.998 -0.171 287 HB3 TYR 40 HB1 TYR 40 -8.698 3.219 -0.188 288 HD1 TYR 40 HD1 TYR 40 -7.147 3.373 1.751 289 HD2 TYR 40 HD2 TYR 40 -9.783 0.086 1.215 290 HE1 TYR 40 HE1 TYR 40 -5.775 2.055 3.271 291 HE2 TYR 40 HE2 TYR 40 -8.403 -1.267 2.745 292 HH TYR 40 HH TYR 40 -5.915 0.106 4.643 293 H ASP 41 HN ASP 41 -9.556 4.859 3.181 294 HA ASP 41 HA ASP 41 -9.122 7.443 1.894 295 HB2 ASP 41 HB2 ASP 41 -8.883 6.593 4.777 296 HB3 ASP 41 HB1 ASP 41 -8.422 8.189 4.211 297 H SER 42 HN SER 42 -7.180 8.626 2.005 298 HA SER 42 HA SER 42 -4.930 7.017 1.359 299 HB2 SER 42 HB2 SER 42 -3.788 9.067 0.916 300 HB3 SER 42 HB1 SER 42 -5.460 9.323 0.406 301 H LEU 43 HN LEU 43 -6.060 8.696 4.173 302 HA LEU 43 HA LEU 43 -3.739 8.580 5.744 303 HB2 LEU 43 HB2 LEU 43 -6.636 8.461 6.573 304 HB3 LEU 43 HB1 LEU 43 -5.309 8.587 7.709 305 HG LEU 43 HG LEU 43 -5.977 10.642 5.598 306 HD11 LEU 43 HD11 LEU 43 -6.720 12.001 7.480 307 HD12 LEU 43 HD12 LEU 43 -6.407 10.659 8.583 308 HD13 LEU 43 HD13 LEU 43 -7.669 10.519 7.357 309 HD21 LEU 43 HD21 LEU 43 -4.355 12.028 6.799 310 HD22 LEU 43 HD22 LEU 43 -3.598 10.569 6.159 311 HD23 LEU 43 HD23 LEU 43 -3.992 10.678 7.872 312 H ALA 44 HN ALA 44 -6.213 6.188 5.078 313 HA ALA 44 HA ALA 44 -5.205 4.275 6.924 314 HB1 ALA 44 HB1 ALA 44 -7.530 4.196 6.133 315 HB2 ALA 44 HB2 ALA 44 -6.684 2.690 5.767 316 HB3 ALA 44 HB3 ALA 44 -6.959 3.882 4.494 317 H LEU 45 HN LEU 45 -4.610 5.118 3.600 318 HA LEU 45 HA LEU 45 -2.943 2.928 2.929 319 HB2 LEU 45 HB2 LEU 45 -3.048 5.732 1.830 320 HB3 LEU 45 HB1 LEU 45 -2.108 4.431 1.126 321 HG LEU 45 HG LEU 45 -5.108 4.409 1.409 322 HD11 LEU 45 HD11 LEU 45 -4.351 6.090 -0.203 323 HD12 LEU 45 HD12 LEU 45 -5.111 4.722 -1.016 324 HD13 LEU 45 HD13 LEU 45 -3.356 4.876 -1.005 325 HD21 LEU 45 HD21 LEU 45 -3.190 2.581 -0.007 326 HD22 LEU 45 HD22 LEU 45 -4.949 2.464 -0.046 327 HD23 LEU 45 HD23 LEU 45 -4.080 2.204 1.469 328 H MET 46 HN MET 46 -2.355 6.012 4.445 329 HA MET 46 HA MET 46 0.487 5.826 4.489 330 HB2 MET 46 HB2 MET 46 -1.338 7.320 6.394 331 HB3 MET 46 HB1 MET 46 0.399 7.562 6.247 332 HG2 MET 46 HG2 MET 46 0.143 8.394 4.001 333 HG3 MET 46 HG1 MET 46 -1.581 7.998 4.045 334 HE1 MET 46 HE1 MET 46 -2.384 10.341 3.328 335 HE2 MET 46 HE2 MET 46 -0.696 10.802 3.098 336 HE3 MET 46 HE3 MET 46 -1.782 11.852 4.011 337 H GLU 47 HN GLU 47 -2.068 4.664 6.517 338 HA GLU 47 HA GLU 47 -0.489 3.634 8.634 339 HB2 GLU 47 HB2 GLU 47 -2.912 3.973 8.820 340 HB3 GLU 47 HB1 GLU 47 -3.190 2.801 7.551 341 HG2 GLU 47 HG2 GLU 47 -3.693 1.790 9.659 342 HG3 GLU 47 HG1 GLU 47 -2.248 1.039 8.990 343 H THR 48 HN THR 48 -1.847 2.213 5.665 344 HA THR 48 HA THR 48 -0.838 -0.353 5.730 345 HB THR 48 HB THR 48 -1.033 1.484 3.323 346 HG1 THR 48 HG1 THR 48 -2.914 0.437 4.992 347 HG21 THR 48 HG21 THR 48 -1.485 -0.579 2.077 348 HG22 THR 48 HG22 THR 48 -1.251 -1.522 3.547 349 HG23 THR 48 HG23 THR 48 0.107 -0.639 2.840 350 H ALA 49 HN ALA 49 0.609 2.545 4.284 351 HA ALA 49 HA ALA 49 3.059 1.537 3.531 352 HB1 ALA 49 HB1 ALA 49 2.235 3.745 2.870 353 HB2 ALA 49 HB2 ALA 49 3.855 3.839 3.559 354 HB3 ALA 49 HB3 ALA 49 2.456 4.320 4.523 355 H ALA 50 HN ALA 50 2.205 3.143 6.600 356 HA ALA 50 HA ALA 50 4.693 3.038 7.817 357 HB1 ALA 50 HB1 ALA 50 2.808 4.356 8.652 358 HB2 ALA 50 HB2 ALA 50 3.539 3.373 9.922 359 HB3 ALA 50 HB3 ALA 50 2.015 2.875 9.187 360 H ARG 51 HN ARG 51 2.134 0.607 7.894 361 HA ARG 51 HA ARG 51 3.391 -1.155 9.725 362 HB2 ARG 51 HB2 ARG 51 1.483 -1.869 7.472 363 HB3 ARG 51 HB1 ARG 51 1.875 -2.896 8.844 364 HG2 ARG 51 HG2 ARG 51 0.500 -0.217 9.025 365 HG3 ARG 51 HG1 ARG 51 -0.311 -1.780 9.063 366 HD2 ARG 51 HD2 ARG 51 0.720 -2.356 11.119 367 HD3 ARG 51 HD1 ARG 51 1.817 -0.972 11.041 368 HE ARG 51 HE ARG 51 -0.280 0.413 11.187 369 HH11 ARG 51 HH11 ARG 51 -0.207 -2.825 12.658 370 HH12 ARG 51 HH12 ARG 51 -1.245 -2.419 13.943 371 HH21 ARG 51 HH21 ARG 51 -1.679 0.969 12.957 372 HH22 ARG 51 HH22 ARG 51 -2.114 -0.211 14.116 373 H LEU 52 HN LEU 52 3.372 -1.075 6.208 374 HA LEU 52 HA LEU 52 5.253 -3.171 5.913 375 HB2 LEU 52 HB2 LEU 52 4.420 -1.016 3.982 376 HB3 LEU 52 HB1 LEU 52 5.480 -2.350 3.557 377 HG LEU 52 HG LEU 52 2.642 -2.653 4.542 378 HD11 LEU 52 HD11 LEU 52 3.784 -2.948 1.773 379 HD12 LEU 52 HD12 LEU 52 2.709 -1.665 2.326 380 HD13 LEU 52 HD13 LEU 52 2.134 -3.331 2.258 381 HD21 LEU 52 HD21 LEU 52 2.916 -4.989 3.879 382 HD22 LEU 52 HD22 LEU 52 4.067 -4.536 5.136 383 HD23 LEU 52 HD23 LEU 52 4.600 -4.676 3.460 384 H GLU 53 HN GLU 53 5.669 0.322 6.176 385 HA GLU 53 HA GLU 53 8.389 0.539 5.618 386 HB2 GLU 53 HB2 GLU 53 6.736 2.049 7.639 387 HB3 GLU 53 HB1 GLU 53 8.403 2.442 7.273 388 HG2 GLU 53 HG2 GLU 53 7.744 2.914 4.956 389 HG3 GLU 53 HG1 GLU 53 6.064 2.572 5.390 390 H SER 54 HN SER 54 6.725 -0.250 8.572 391 HA SER 54 HA SER 54 8.972 -0.490 10.211 392 HB2 SER 54 HB2 SER 54 6.626 -0.266 10.998 393 HB3 SER 54 HB1 SER 54 6.298 -1.891 10.412 394 HG SER 54 HG SER 54 6.720 -1.850 12.604 395 H ARG 55 HN ARG 55 7.044 -2.984 8.535 396 HA ARG 55 HA ARG 55 8.548 -5.187 9.317 397 HB2 ARG 55 HB2 ARG 55 6.302 -5.396 8.397 398 HB3 ARG 55 HB1 ARG 55 6.874 -4.870 6.819 399 HG2 ARG 55 HG2 ARG 55 8.305 -6.845 6.682 400 HG3 ARG 55 HG1 ARG 55 7.731 -7.368 8.262 401 HD2 ARG 55 HD2 ARG 55 5.457 -7.570 7.355 402 HD3 ARG 55 HD1 ARG 55 6.048 -7.042 5.774 403 HE ARG 55 HE ARG 55 7.627 -9.167 6.586 404 HH11 ARG 55 HH11 ARG 55 4.242 -8.702 5.495 405 HH12 ARG 55 HH12 ARG 55 4.050 -10.313 5.043 406 HH21 ARG 55 HH21 ARG 55 7.352 -11.316 5.938 407 HH22 ARG 55 HH22 ARG 55 5.868 -11.868 5.276 408 H TYR 56 HN TYR 56 8.949 -3.183 6.407 409 HA TYR 56 HA TYR 56 11.188 -4.900 5.660 410 HB2 TYR 56 HB2 TYR 56 9.463 -3.071 4.035 411 HB3 TYR 56 HB1 TYR 56 11.009 -3.660 3.424 412 HD1 TYR 56 HD2 TYR 56 11.324 -6.118 3.017 413 HD2 TYR 56 HD1 TYR 56 7.585 -4.482 4.214 414 HE1 TYR 56 HE2 TYR 56 10.182 -8.174 2.275 415 HE2 TYR 56 HE1 TYR 56 6.445 -6.512 3.487 416 HH TYR 56 HH TYR 56 8.055 -9.419 2.632 417 H GLY 57 HN GLY 57 10.865 -2.116 7.314 418 HA2 GLY 57 HA2 GLY 57 12.425 -0.588 8.012 419 HA3 GLY 57 HA1 GLY 57 13.641 -1.566 7.201 420 H VAL 58 HN VAL 58 10.866 0.285 6.037 421 HA VAL 58 HA VAL 58 12.742 1.751 4.353 422 HB VAL 58 HB VAL 58 11.009 2.006 2.574 423 HG11 VAL 58 HG11 VAL 58 11.191 -0.248 1.665 424 HG12 VAL 58 HG12 VAL 58 11.705 -0.838 3.242 425 HG13 VAL 58 HG13 VAL 58 12.719 0.307 2.354 426 HG21 VAL 58 HG21 VAL 58 9.008 1.626 3.926 427 HG22 VAL 58 HG22 VAL 58 9.483 -0.066 4.150 428 HG23 VAL 58 HG23 VAL 58 9.062 0.528 2.546 429 H SER 59 HN SER 59 11.482 3.822 3.376 430 HA SER 59 HA SER 59 10.061 5.059 5.570 431 HB2 SER 59 HB2 SER 59 12.488 6.249 4.190 432 HB3 SER 59 HB1 SER 59 11.519 7.021 5.449 433 HG SER 59 HG SER 59 12.130 4.805 6.528 434 H ILE 60 HN ILE 60 8.247 5.499 4.658 435 HA ILE 60 HA ILE 60 8.169 6.491 1.882 436 HB ILE 60 HB ILE 60 6.068 4.969 3.456 437 HG12 ILE 60 HG12 ILE 60 7.631 4.141 0.996 438 HG13 ILE 60 HG11 ILE 60 7.966 3.596 2.634 439 HG21 ILE 60 HG21 ILE 60 4.735 4.981 1.394 440 HG22 ILE 60 HG22 ILE 60 5.942 6.016 0.629 441 HG23 ILE 60 HG23 ILE 60 5.014 6.611 2.004 442 HD11 ILE 60 HD11 ILE 60 5.445 3.071 1.076 443 HD12 ILE 60 HD12 ILE 60 5.780 2.514 2.716 444 HD13 ILE 60 HD13 ILE 60 6.748 1.920 1.367 445 HA PRO 61 HA PRO 61 6.883 10.221 4.032 446 HB2 PRO 61 HB2 PRO 61 6.317 11.123 1.264 447 HB3 PRO 61 HB1 PRO 61 7.332 11.875 2.498 448 HG2 PRO 61 HG2 PRO 61 8.420 10.642 0.392 449 HG3 PRO 61 HG1 PRO 61 9.160 10.546 2.000 450 HD2 PRO 61 HD2 PRO 61 7.501 8.519 0.554 451 HD3 PRO 61 HD1 PRO 61 8.951 8.284 1.554 452 H ASP 62 HN ASP 62 5.005 10.636 4.816 453 HA ASP 62 HA ASP 62 2.728 9.138 4.632 454 HB2 ASP 62 HB2 ASP 62 2.877 12.058 5.380 455 HB3 ASP 62 HB1 ASP 62 1.504 11.013 5.694 456 H ASP 63 HN ASP 63 3.129 12.318 3.204 457 HA ASP 63 HA ASP 63 0.557 12.521 2.102 458 HB2 ASP 63 HB2 ASP 63 3.061 13.948 1.199 459 HB3 ASP 63 HB1 ASP 63 1.408 14.438 0.849 460 H VAL 64 HN VAL 64 3.320 10.865 0.949 461 HA VAL 64 HA VAL 64 2.666 10.896 -1.834 462 HB VAL 64 HB VAL 64 4.436 9.038 -0.260 463 HG11 VAL 64 HG11 VAL 64 3.845 8.068 -2.455 464 HG12 VAL 64 HG12 VAL 64 5.542 8.545 -2.445 465 HG13 VAL 64 HG13 VAL 64 4.346 9.555 -3.259 466 HG21 VAL 64 HG21 VAL 64 6.295 10.426 -1.044 467 HG22 VAL 64 HG22 VAL 64 5.124 11.370 -0.108 468 HG23 VAL 64 HG23 VAL 64 5.149 11.483 -1.864 469 H ALA 65 HN ALA 65 1.555 9.098 0.875 470 HA ALA 65 HA ALA 65 0.620 6.877 -0.684 471 HB1 ALA 65 HB1 ALA 65 -0.430 6.105 1.372 472 HB2 ALA 65 HB2 ALA 65 -0.106 7.660 2.137 473 HB3 ALA 65 HB3 ALA 65 1.235 6.602 1.688 474 H GLY 66 HN GLY 66 -0.326 9.998 -0.522 475 HA2 GLY 66 HA2 GLY 66 -3.169 9.405 -0.820 476 HA3 GLY 66 HA1 GLY 66 -2.452 11.008 -0.672 477 H ARG 67 HN ARG 67 -0.418 9.642 -2.716 478 HA ARG 67 HA ARG 67 -1.982 10.590 -5.007 479 HB2 ARG 67 HB2 ARG 67 0.163 11.101 -6.107 480 HB3 ARG 67 HB1 ARG 67 -0.123 12.042 -4.649 481 HG2 ARG 67 HG2 ARG 67 1.346 10.213 -3.528 482 HG3 ARG 67 HG1 ARG 67 1.851 9.864 -5.183 483 HD2 ARG 67 HD2 ARG 67 3.410 11.416 -4.190 484 HD3 ARG 67 HD1 ARG 67 2.489 12.242 -5.451 485 HE ARG 67 HE ARG 67 1.034 12.923 -3.356 486 HH11 ARG 67 HH11 ARG 67 4.596 12.802 -3.460 487 HH12 ARG 67 HH12 ARG 67 4.759 14.059 -2.322 488 HH21 ARG 67 HH21 ARG 67 1.283 14.600 -1.863 489 HH22 ARG 67 HH22 ARG 67 2.827 15.135 -1.400 490 H VAL 68 HN VAL 68 -1.479 7.837 -3.742 491 HA VAL 68 HA VAL 68 -0.747 6.521 -6.229 492 HB VAL 68 HB VAL 68 -0.651 4.409 -4.819 493 HG11 VAL 68 HG11 VAL 68 1.158 6.673 -3.974 494 HG12 VAL 68 HG12 VAL 68 1.373 5.628 -5.378 495 HG13 VAL 68 HG13 VAL 68 1.497 4.956 -3.752 496 HG21 VAL 68 HG21 VAL 68 -2.077 5.130 -2.952 497 HG22 VAL 68 HG22 VAL 68 -0.882 6.348 -2.503 498 HG23 VAL 68 HG23 VAL 68 -0.487 4.632 -2.375 499 H ASP 69 HN ASP 69 -2.393 6.345 -7.465 500 HA ASP 69 HA ASP 69 -5.102 6.353 -6.492 501 HB2 ASP 69 HB2 ASP 69 -4.006 5.983 -9.285 502 HB3 ASP 69 HB1 ASP 69 -5.720 6.028 -8.906 503 H THR 70 HN THR 70 -3.012 3.999 -8.020 504 HA THR 70 HA THR 70 -4.975 1.915 -7.383 505 HB THR 70 HB THR 70 -3.716 0.537 -9.031 506 HG1 THR 70 HG1 THR 70 -2.469 2.915 -9.898 507 HG21 THR 70 HG21 THR 70 -5.713 1.725 -9.790 508 HG22 THR 70 HG22 THR 70 -4.504 1.694 -11.074 509 HG23 THR 70 HG23 THR 70 -4.750 3.163 -10.129 510 HA PRO 71 HA PRO 71 -2.027 0.135 -4.492 511 HB2 PRO 71 HB2 PRO 71 -2.858 -2.478 -5.647 512 HB3 PRO 71 HB1 PRO 71 -2.886 -1.939 -3.963 513 HG2 PRO 71 HG2 PRO 71 -5.148 -2.124 -5.310 514 HG3 PRO 71 HG1 PRO 71 -4.857 -0.727 -4.251 515 HD2 PRO 71 HD2 PRO 71 -4.610 -0.925 -7.231 516 HD3 PRO 71 HD1 PRO 71 -5.372 0.348 -6.249 517 H ARG 72 HN ARG 72 -2.120 -0.536 -7.836 518 HA ARG 72 HA ARG 72 0.231 -2.010 -8.258 519 HB2 ARG 72 HB2 ARG 72 -1.508 -1.665 -9.938 520 HB3 ARG 72 HB1 ARG 72 -1.159 0.054 -9.971 521 HG2 ARG 72 HG2 ARG 72 1.102 -0.480 -10.831 522 HG3 ARG 72 HG1 ARG 72 0.617 -2.178 -10.909 523 HD2 ARG 72 HD2 ARG 72 -0.695 0.120 -12.349 524 HD3 ARG 72 HD1 ARG 72 0.348 -1.104 -13.073 525 HE ARG 72 HE ARG 72 -1.372 -2.738 -12.381 526 HH11 ARG 72 HH11 ARG 72 -2.285 0.672 -12.870 527 HH12 ARG 72 HH12 ARG 72 -3.878 0.315 -13.352 528 HH21 ARG 72 HH21 ARG 72 -3.640 -3.197 -12.961 529 HH22 ARG 72 HH22 ARG 72 -4.661 -1.892 -13.385 530 H GLU 73 HN GLU 73 -0.522 1.425 -8.373 531 HA GLU 73 HA GLU 73 2.068 2.421 -8.835 532 HB2 GLU 73 HB2 GLU 73 -0.024 3.523 -9.442 533 HB3 GLU 73 HB1 GLU 73 -0.450 3.669 -7.756 534 HG2 GLU 73 HG2 GLU 73 1.231 5.316 -7.408 535 HG3 GLU 73 HG1 GLU 73 1.918 5.021 -9.014 536 H LEU 74 HN LEU 74 0.182 1.775 -5.965 537 HA LEU 74 HA LEU 74 1.936 2.978 -4.071 538 HB2 LEU 74 HB2 LEU 74 -0.536 2.202 -3.810 539 HB3 LEU 74 HB1 LEU 74 0.126 0.614 -3.521 540 HG LEU 74 HG LEU 74 0.616 3.062 -1.800 541 HD11 LEU 74 HD11 LEU 74 -0.829 1.961 -0.175 542 HD12 LEU 74 HD12 LEU 74 -1.154 0.680 -1.344 543 HD13 LEU 74 HD13 LEU 74 -1.679 2.331 -1.675 544 HD21 LEU 74 HD21 LEU 74 1.315 0.168 -1.296 545 HD22 LEU 74 HD22 LEU 74 1.539 1.498 -0.160 546 HD23 LEU 74 HD23 LEU 74 2.463 1.453 -1.662 547 H LEU 75 HN LEU 75 1.555 -0.328 -5.321 548 HA LEU 75 HA LEU 75 3.506 -1.693 -3.900 549 HB2 LEU 75 HB2 LEU 75 1.825 -2.722 -5.397 550 HB3 LEU 75 HB1 LEU 75 2.659 -2.055 -6.781 551 HG LEU 75 HG LEU 75 4.629 -3.475 -6.192 552 HD11 LEU 75 HD11 LEU 75 2.706 -4.708 -4.237 553 HD12 LEU 75 HD12 LEU 75 4.163 -3.797 -3.838 554 HD13 LEU 75 HD13 LEU 75 4.292 -5.346 -4.668 555 HD21 LEU 75 HD21 LEU 75 3.048 -4.147 -7.917 556 HD22 LEU 75 HD22 LEU 75 2.027 -4.912 -6.700 557 HD23 LEU 75 HD23 LEU 75 3.639 -5.551 -7.028 558 H ASP 76 HN ASP 76 3.718 0.000 -6.981 559 HA ASP 76 HA ASP 76 6.384 -0.314 -7.636 560 HB2 ASP 76 HB2 ASP 76 4.968 0.708 -9.220 561 HB3 ASP 76 HB1 ASP 76 4.502 1.982 -8.100 562 H LEU 77 HN LEU 77 4.962 2.249 -5.666 563 HA LEU 77 HA LEU 77 7.237 3.739 -5.098 564 HB2 LEU 77 HB2 LEU 77 5.083 4.576 -4.536 565 HB3 LEU 77 HB1 LEU 77 4.746 3.210 -3.497 566 HG LEU 77 HG LEU 77 6.472 4.021 -1.919 567 HD11 LEU 77 HD11 LEU 77 7.868 5.282 -3.455 568 HD12 LEU 77 HD12 LEU 77 7.342 6.270 -2.100 569 HD13 LEU 77 HD13 LEU 77 6.575 6.465 -3.680 570 HD21 LEU 77 HD21 LEU 77 4.287 5.979 -2.585 571 HD22 LEU 77 HD22 LEU 77 5.148 5.871 -1.049 572 HD23 LEU 77 HD23 LEU 77 4.129 4.534 -1.585 573 H ILE 78 HN ILE 78 5.874 1.013 -3.293 574 HA ILE 78 HA ILE 78 7.917 1.072 -1.325 575 HB ILE 78 HB ILE 78 6.136 -1.293 -1.981 576 HG12 ILE 78 HG12 ILE 78 5.710 1.010 -0.061 577 HG13 ILE 78 HG11 ILE 78 4.787 0.699 -1.528 578 HG21 ILE 78 HG21 ILE 78 8.067 -1.836 -0.575 579 HG22 ILE 78 HG22 ILE 78 6.584 -1.886 0.383 580 HG23 ILE 78 HG23 ILE 78 7.667 -0.503 0.509 581 HD11 ILE 78 HD11 ILE 78 4.886 -1.064 0.904 582 HD12 ILE 78 HD12 ILE 78 3.946 -1.373 -0.555 583 HD13 ILE 78 HD13 ILE 78 3.570 0.020 0.462 584 H ASN 79 HN ASN 79 7.414 -0.894 -4.243 585 HA ASN 79 HA ASN 79 9.694 -2.517 -3.895 586 HB2 ASN 79 HB2 ASN 79 8.323 -1.717 -6.475 587 HB3 ASN 79 HB1 ASN 79 9.623 -2.887 -6.388 588 HD21 ASN 79 HD21 ASN 79 8.532 -3.977 -3.816 589 HD22 ASN 79 HD22 ASN 79 7.168 -4.935 -4.294 590 H GLY 80 HN GLY 80 9.321 0.686 -5.244 591 HA2 GLY 80 HA2 GLY 80 11.899 0.986 -6.309 592 HA3 GLY 80 HA1 GLY 80 10.864 2.289 -5.732 593 H ALA 81 HN ALA 81 10.607 1.784 -3.118 594 HA ALA 81 HA ALA 81 13.069 2.657 -2.021 595 HB1 ALA 81 HB1 ALA 81 10.659 1.528 -0.583 596 HB2 ALA 81 HB2 ALA 81 10.897 3.222 -1.017 597 HB3 ALA 81 HB3 ALA 81 11.964 2.455 0.158 598 H LEU 82 HN LEU 82 11.463 -0.459 -2.096 599 HA LEU 82 HA LEU 82 13.303 -1.823 -0.451 600 HB2 LEU 82 HB2 LEU 82 11.263 -2.789 -2.410 601 HB3 LEU 82 HB1 LEU 82 12.285 -3.886 -1.499 602 HG LEU 82 HG LEU 82 10.402 -1.881 -0.261 603 HD11 LEU 82 HD11 LEU 82 9.049 -3.828 0.287 604 HD12 LEU 82 HD12 LEU 82 10.187 -4.858 -0.587 605 HD13 LEU 82 HD13 LEU 82 9.231 -3.648 -1.462 606 HD21 LEU 82 HD21 LEU 82 12.337 -2.410 1.117 607 HD22 LEU 82 HD22 LEU 82 12.021 -4.133 0.911 608 HD23 LEU 82 HD23 LEU 82 10.867 -3.121 1.784 609 H ALA 83 HN ALA 83 13.519 -0.884 -3.716 610 HA ALA 83 HA ALA 83 15.374 -2.876 -4.543 611 HB1 ALA 83 HB1 ALA 83 15.900 -1.347 -6.393 612 HB2 ALA 83 HB2 ALA 83 15.003 -0.061 -5.587 613 HB3 ALA 83 HB3 ALA 83 14.157 -1.496 -6.171 614 H GLU 84 HN GLU 84 15.561 -0.041 -2.615 615 HA GLU 84 HA GLU 84 18.476 0.095 -2.740 616 HB2 GLU 84 HB2 GLU 84 16.543 1.733 -1.089 617 HB3 GLU 84 HB1 GLU 84 18.243 2.076 -1.356 618 HG2 GLU 84 HG2 GLU 84 16.042 2.181 -3.404 619 HG3 GLU 84 HG1 GLU 84 16.835 3.557 -2.649 620 H ALA 85 HN ALA 85 16.120 -1.605 -1.130 621 HA ALA 85 HA ALA 85 17.457 -1.584 1.456 622 HB1 ALA 85 HB1 ALA 85 15.036 -1.216 1.449 623 HB2 ALA 85 HB2 ALA 85 15.460 -2.708 2.290 624 HB3 ALA 85 HB3 ALA 85 14.801 -2.774 0.657 625 H ALA 86 HN ALA 86 18.466 -3.291 2.241 626 HA ALA 86 HA ALA 86 18.184 -5.930 1.235 627 HB1 ALA 86 HB1 ALA 86 20.536 -6.196 0.520 628 HB2 ALA 86 HB2 ALA 86 20.796 -4.466 0.751 629 HB3 ALA 86 HB3 ALA 86 19.691 -5.032 -0.502 630 H28 SXV 87 H28A SXV 87 -3.664 12.213 2.241 631 H28A SXV 87 H28B SXV 87 -4.597 13.361 1.288 632 H30 SXV 87 H30C SXV 87 -4.902 13.476 4.864 633 H30A SXV 87 H30A SXV 87 -3.500 14.488 5.213 634 H30B SXV 87 H30B SXV 87 -3.274 12.815 4.700 635 H31 SXV 87 H31C SXV 87 -1.998 15.241 3.299 636 H31A SXV 87 H31A SXV 87 -2.372 14.702 1.662 637 H31B SXV 87 H31B SXV 87 -1.800 13.543 2.861 638 H32 SXV 87 H32A SXV 87 -5.716 15.287 3.302 639 HO33 SXV 87 H33A SXV 87 -3.918 16.023 1.217 640 HN36 SXV 87 H36A SXV 87 -4.348 17.680 1.969 641 H37 SXV 87 H37B SXV 87 -2.918 18.813 4.274 642 H37A SXV 87 H37A SXV 87 -4.210 19.735 3.535 643 H38 SXV 87 H38B SXV 87 -2.895 19.949 1.500 644 H38A SXV 87 H38A SXV 87 -1.798 18.671 2.087 645 HN41 SXV 87 H41A SXV 87 -0.356 20.306 1.321 646 H42 SXV 87 H42B SXV 87 0.878 21.557 3.594 647 H42A SXV 87 H42A SXV 87 0.375 22.675 2.326 648 H43 SXV 87 H43B SXV 87 2.171 20.290 1.946 649 H43A SXV 87 H43A SXV 87 1.736 21.467 0.714 650 H1 SXV 87 H1B SXV 87 4.205 21.921 0.084 651 H1A SXV 87 H1A SXV 87 5.494 22.300 1.240 652 H2 SXV 87 H2A SXV 87 4.060 19.670 1.196 653 H2A SXV 87 H2B SXV 87 5.371 20.167 2.250 654 H4 SXV 87 H4C SXV 87 6.945 21.603 -0.297 655 H4A SXV 87 H4A SXV 87 7.839 20.136 -0.716 656 H4B SXV 87 H4B SXV 87 7.768 20.678 0.967 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 20.986 -6.958 -2.185 2 H2 MET 1 HT2 MET 1 21.655 -8.481 -2.409 3 H3 MET 1 HT3 MET 1 20.866 -8.071 -0.966 4 HA MET 1 HA MET 1 19.445 -8.007 -3.520 5 HB2 MET 1 HB2 MET 1 19.506 -10.264 -1.487 6 HB3 MET 1 HB1 MET 1 18.306 -10.122 -2.760 7 HG2 MET 1 HG2 MET 1 20.091 -10.297 -4.440 8 HG3 MET 1 HG1 MET 1 21.271 -10.470 -3.145 9 HE1 MET 1 HE1 MET 1 21.103 -14.062 -4.756 10 HE2 MET 1 HE2 MET 1 22.148 -12.706 -4.331 11 HE3 MET 1 HE3 MET 1 20.932 -12.521 -5.596 12 H ALA 2 HN ALA 2 17.114 -7.948 -3.130 13 HA ALA 2 HA ALA 2 16.457 -6.831 -0.502 14 HB1 ALA 2 HB1 ALA 2 16.713 -5.003 -2.108 15 HB2 ALA 2 HB2 ALA 2 15.027 -5.176 -1.621 16 HB3 ALA 2 HB3 ALA 2 15.560 -5.783 -3.190 17 H THR 3 HN THR 3 14.357 -7.234 0.178 18 HA THR 3 HA THR 3 13.069 -9.539 -1.065 19 HB THR 3 HB THR 3 12.383 -8.061 1.416 20 HG1 THR 3 HG1 THR 3 14.619 -9.224 1.070 21 HG21 THR 3 HG21 THR 3 10.633 -9.555 0.620 22 HG22 THR 3 HG22 THR 3 11.341 -10.216 2.095 23 HG23 THR 3 HG23 THR 3 11.785 -10.887 0.526 24 H LEU 4 HN LEU 4 11.753 -8.847 -2.730 25 HA LEU 4 HA LEU 4 10.323 -6.345 -2.452 26 HB2 LEU 4 HB2 LEU 4 10.285 -8.358 -4.698 27 HB3 LEU 4 HB1 LEU 4 9.539 -6.774 -4.731 28 HG LEU 4 HG LEU 4 12.499 -7.331 -4.598 29 HD11 LEU 4 HD11 LEU 4 11.541 -7.841 -6.763 30 HD12 LEU 4 HD12 LEU 4 12.526 -6.379 -6.850 31 HD13 LEU 4 HD13 LEU 4 10.769 -6.256 -6.813 32 HD21 LEU 4 HD21 LEU 4 12.762 -4.913 -4.899 33 HD22 LEU 4 HD22 LEU 4 11.923 -5.286 -3.393 34 HD23 LEU 4 HD23 LEU 4 11.013 -4.707 -4.786 35 H LEU 5 HN LEU 5 8.468 -6.277 -1.483 36 HA LEU 5 HA LEU 5 6.996 -8.663 -0.987 37 HB2 LEU 5 HB2 LEU 5 5.423 -7.264 0.270 38 HB3 LEU 5 HB1 LEU 5 7.071 -7.007 0.769 39 HG LEU 5 HG LEU 5 6.982 -4.860 -0.656 40 HD11 LEU 5 HD11 LEU 5 4.948 -5.341 -1.917 41 HD12 LEU 5 HD12 LEU 5 4.775 -3.870 -0.962 42 HD13 LEU 5 HD13 LEU 5 4.017 -5.368 -0.419 43 HD21 LEU 5 HD21 LEU 5 7.031 -4.841 1.734 44 HD22 LEU 5 HD22 LEU 5 5.311 -5.198 1.803 45 HD23 LEU 5 HD23 LEU 5 5.856 -3.644 1.182 46 H THR 6 HN THR 6 4.962 -9.174 -1.704 47 HA THR 6 HA THR 6 4.399 -7.959 -4.285 48 HB THR 6 HB THR 6 3.328 -10.133 -4.884 49 HG1 THR 6 HG1 THR 6 4.242 -10.781 -2.273 50 HG21 THR 6 HG21 THR 6 5.448 -11.332 -5.230 51 HG22 THR 6 HG22 THR 6 6.234 -10.266 -4.067 52 HG23 THR 6 HG23 THR 6 5.616 -9.613 -5.586 53 H THR 7 HN THR 7 1.976 -8.999 -4.807 54 HA THR 7 HA THR 7 0.087 -7.291 -3.871 55 HB THR 7 HB THR 7 -1.411 -9.291 -4.597 56 HG1 THR 7 HG1 THR 7 -0.162 -11.095 -4.768 57 HG21 THR 7 HG21 THR 7 0.636 -8.063 -6.453 58 HG22 THR 7 HG22 THR 7 -0.901 -7.326 -5.983 59 HG23 THR 7 HG23 THR 7 -0.886 -8.803 -6.945 60 H ASP 8 HN ASP 8 0.632 -10.636 -2.841 61 HA ASP 8 HA ASP 8 -1.384 -10.823 -0.918 62 HB2 ASP 8 HB2 ASP 8 1.240 -12.341 -1.012 63 HB3 ASP 8 HB1 ASP 8 -0.253 -12.865 -0.244 64 H ASP 9 HN ASP 9 1.971 -9.894 -0.732 65 HA ASP 9 HA ASP 9 2.159 -9.699 2.093 66 HB2 ASP 9 HB2 ASP 9 3.764 -8.222 -0.012 67 HB3 ASP 9 HB1 ASP 9 4.169 -8.327 1.692 68 H LEU 10 HN LEU 10 1.557 -7.398 -0.466 69 HA LEU 10 HA LEU 10 1.278 -5.086 1.086 70 HB2 LEU 10 HB2 LEU 10 1.669 -4.982 -1.289 71 HB3 LEU 10 HB1 LEU 10 0.172 -5.823 -1.620 72 HG LEU 10 HG LEU 10 -1.102 -3.870 -0.846 73 HD11 LEU 10 HD11 LEU 10 0.035 -1.768 -0.363 74 HD12 LEU 10 HD12 LEU 10 1.594 -2.582 -0.483 75 HD13 LEU 10 HD13 LEU 10 0.467 -3.018 0.799 76 HD21 LEU 10 HD21 LEU 10 -0.523 -2.361 -2.683 77 HD22 LEU 10 HD22 LEU 10 -0.504 -4.042 -3.209 78 HD23 LEU 10 HD23 LEU 10 1.011 -3.202 -2.892 79 H ARG 11 HN ARG 11 -1.153 -7.391 -0.089 80 HA ARG 11 HA ARG 11 -3.385 -5.940 0.753 81 HB2 ARG 11 HB2 ARG 11 -4.730 -7.819 0.263 82 HB3 ARG 11 HB1 ARG 11 -3.343 -7.997 -0.794 83 HG2 ARG 11 HG2 ARG 11 -2.397 -9.662 0.624 84 HG3 ARG 11 HG1 ARG 11 -3.696 -9.439 1.799 85 HD2 ARG 11 HD2 ARG 11 -5.318 -10.129 0.084 86 HD3 ARG 11 HD1 ARG 11 -3.980 -10.424 -1.031 87 HE ARG 11 HE ARG 11 -4.349 -11.813 1.521 88 HH11 ARG 11 HH11 ARG 11 -3.529 -11.851 -1.907 89 HH12 ARG 11 HH12 ARG 11 -2.875 -13.431 -1.884 90 HH21 ARG 11 HH21 ARG 11 -3.643 -14.037 1.511 91 HH22 ARG 11 HH22 ARG 11 -3.035 -14.743 0.086 92 H ARG 12 HN ARG 12 -1.363 -8.191 2.537 93 HA ARG 12 HA ARG 12 -3.053 -8.485 4.772 94 HB2 ARG 12 HB2 ARG 12 -0.047 -8.590 4.659 95 HB3 ARG 12 HB1 ARG 12 -0.993 -9.045 6.066 96 HG2 ARG 12 HG2 ARG 12 -2.057 -10.819 4.738 97 HG3 ARG 12 HG1 ARG 12 -1.034 -10.382 3.368 98 HD2 ARG 12 HD2 ARG 12 -0.116 -11.390 6.063 99 HD3 ARG 12 HD1 ARG 12 -0.067 -12.270 4.535 100 HE ARG 12 HE ARG 12 1.499 -9.837 5.065 101 HH11 ARG 12 HH11 ARG 12 1.364 -13.178 3.864 102 HH12 ARG 12 HH12 ARG 12 2.869 -13.113 3.090 103 HH21 ARG 12 HH21 ARG 12 3.568 -9.757 4.091 104 HH22 ARG 12 HH22 ARG 12 4.166 -11.063 3.162 105 H ALA 13 HN ALA 13 -0.804 -5.937 3.909 106 HA ALA 13 HA ALA 13 -0.929 -4.713 6.536 107 HB1 ALA 13 HB1 ALA 13 0.410 -2.937 5.568 108 HB2 ALA 13 HB2 ALA 13 0.192 -3.634 3.962 109 HB3 ALA 13 HB3 ALA 13 1.096 -4.517 5.194 110 H LEU 14 HN LEU 14 -2.461 -4.457 3.475 111 HA LEU 14 HA LEU 14 -3.761 -1.989 3.874 112 HB2 LEU 14 HB2 LEU 14 -3.469 -3.544 1.749 113 HB3 LEU 14 HB1 LEU 14 -4.962 -4.265 2.311 114 HG LEU 14 HG LEU 14 -6.075 -2.074 2.117 115 HD11 LEU 14 HD11 LEU 14 -3.445 -1.196 0.931 116 HD12 LEU 14 HD12 LEU 14 -4.126 -0.659 2.467 117 HD13 LEU 14 HD13 LEU 14 -4.937 -0.253 0.953 118 HD21 LEU 14 HD21 LEU 14 -6.117 -1.982 -0.318 119 HD22 LEU 14 HD22 LEU 14 -6.149 -3.651 0.252 120 HD23 LEU 14 HD23 LEU 14 -4.655 -2.965 -0.387 121 H VAL 15 HN VAL 15 -4.537 -5.349 4.532 122 HA VAL 15 HA VAL 15 -6.980 -5.131 5.885 123 HB VAL 15 HB VAL 15 -4.674 -7.089 6.220 124 HG11 VAL 15 HG11 VAL 15 -6.227 -8.570 7.401 125 HG12 VAL 15 HG12 VAL 15 -7.453 -7.303 7.373 126 HG13 VAL 15 HG13 VAL 15 -5.965 -7.072 8.295 127 HG21 VAL 15 HG21 VAL 15 -5.771 -7.152 4.054 128 HG22 VAL 15 HG22 VAL 15 -7.340 -7.337 4.836 129 HG23 VAL 15 HG23 VAL 15 -6.129 -8.614 4.972 130 H GLU 16 HN GLU 16 -3.641 -5.001 7.121 131 HA GLU 16 HA GLU 16 -4.194 -4.589 9.838 132 HB2 GLU 16 HB2 GLU 16 -1.751 -3.660 8.278 133 HB3 GLU 16 HB1 GLU 16 -1.895 -3.690 10.023 134 HG2 GLU 16 HG2 GLU 16 -2.129 -6.096 9.996 135 HG3 GLU 16 HG1 GLU 16 -2.061 -6.098 8.236 136 H SER 17 HN SER 17 -4.743 -2.440 7.289 137 HA SER 17 HA SER 17 -4.619 -0.081 9.031 138 HB2 SER 17 HB2 SER 17 -5.114 -0.245 6.066 139 HB3 SER 17 HB1 SER 17 -4.697 1.191 7.009 140 HG SER 17 HG SER 17 -3.057 -1.112 6.786 141 H ALA 18 HN ALA 18 -6.764 -2.425 8.199 142 HA ALA 18 HA ALA 18 -9.059 -0.589 8.106 143 HB1 ALA 18 HB1 ALA 18 -10.279 -2.363 6.969 144 HB2 ALA 18 HB2 ALA 18 -8.867 -3.413 7.077 145 HB3 ALA 18 HB3 ALA 18 -8.804 -1.951 6.094 146 H GLY 19 HN GLY 19 -8.013 -3.760 9.319 147 HA2 GLY 19 HA2 GLY 19 -8.334 -4.527 11.513 148 HA3 GLY 19 HA1 GLY 19 -9.541 -3.272 11.761 149 H GLU 20 HN GLU 20 -11.336 -3.576 9.922 150 HA GLU 20 HA GLU 20 -12.386 -6.290 10.290 151 HB2 GLU 20 HB2 GLU 20 -13.770 -4.347 11.089 152 HB3 GLU 20 HB1 GLU 20 -13.844 -3.773 9.430 153 HG2 GLU 20 HG2 GLU 20 -14.939 -5.909 8.803 154 HG3 GLU 20 HG1 GLU 20 -14.981 -6.335 10.512 155 H THR 21 HN THR 21 -11.957 -7.555 8.605 156 HA THR 21 HA THR 21 -12.153 -6.467 5.904 157 HB THR 21 HB THR 21 -10.056 -7.913 5.418 158 HG1 THR 21 HG1 THR 21 -9.388 -8.825 7.217 159 HG21 THR 21 HG21 THR 21 -8.583 -5.981 5.865 160 HG22 THR 21 HG22 THR 21 -9.834 -5.274 6.888 161 HG23 THR 21 HG23 THR 21 -10.117 -5.477 5.158 162 H ASP 22 HN ASP 22 -14.066 -8.138 7.118 163 HA ASP 22 HA ASP 22 -13.537 -10.822 6.101 164 HB2 ASP 22 HB2 ASP 22 -16.073 -9.679 7.329 165 HB3 ASP 22 HB1 ASP 22 -15.888 -11.342 6.799 166 H GLY 23 HN GLY 23 -15.560 -8.050 5.470 167 HA2 GLY 23 HA2 GLY 23 -16.340 -9.197 2.885 168 HA3 GLY 23 HA1 GLY 23 -17.130 -7.844 3.698 169 H THR 24 HN THR 24 -13.799 -8.590 2.928 170 HA THR 24 HA THR 24 -13.628 -6.081 1.436 171 HB THR 24 HB THR 24 -11.450 -7.217 3.224 172 HG1 THR 24 HG1 THR 24 -13.360 -5.151 3.615 173 HG21 THR 24 HG21 THR 24 -10.647 -5.808 1.362 174 HG22 THR 24 HG22 THR 24 -10.415 -5.001 2.914 175 HG23 THR 24 HG23 THR 24 -11.748 -4.525 1.860 176 H ASP 25 HN ASP 25 -14.034 -7.443 -0.338 177 HA ASP 25 HA ASP 25 -12.242 -9.579 -0.977 178 HB2 ASP 25 HB2 ASP 25 -13.397 -9.808 -3.107 179 HB3 ASP 25 HB1 ASP 25 -14.594 -9.565 -1.850 180 H LEU 26 HN LEU 26 -10.300 -9.366 -1.560 181 HA LEU 26 HA LEU 26 -9.476 -7.078 -3.184 182 HB2 LEU 26 HB2 LEU 26 -9.100 -6.761 -0.709 183 HB3 LEU 26 HB1 LEU 26 -8.027 -8.142 -0.766 184 HG LEU 26 HG LEU 26 -6.596 -6.897 -2.349 185 HD11 LEU 26 HD11 LEU 26 -8.294 -5.377 -3.243 186 HD12 LEU 26 HD12 LEU 26 -6.943 -4.470 -2.560 187 HD13 LEU 26 HD13 LEU 26 -8.454 -4.619 -1.660 188 HD21 LEU 26 HD21 LEU 26 -5.679 -5.399 -0.652 189 HD22 LEU 26 HD22 LEU 26 -6.109 -6.971 0.027 190 HD23 LEU 26 HD23 LEU 26 -7.152 -5.575 0.299 191 H SER 27 HN SER 27 -8.398 -10.092 -1.604 192 HA SER 27 HA SER 27 -7.362 -11.953 -2.316 193 HB2 SER 27 HB2 SER 27 -9.375 -11.924 -3.856 194 HB3 SER 27 HB1 SER 27 -8.370 -11.152 -5.075 195 HG SER 27 HG SER 27 -8.109 -13.168 -5.618 196 H GLY 28 HN GLY 28 -5.959 -12.571 -4.657 197 HA2 GLY 28 HA2 GLY 28 -3.601 -10.892 -4.398 198 HA3 GLY 28 HA1 GLY 28 -3.715 -12.433 -5.255 199 H ASP 29 HN ASP 29 -2.787 -9.689 -5.996 200 HA ASP 29 HA ASP 29 -2.721 -8.276 -7.714 201 HB2 ASP 29 HB2 ASP 29 -4.188 -10.462 -9.199 202 HB3 ASP 29 HB1 ASP 29 -3.603 -8.990 -9.969 203 H PHE 30 HN PHE 30 -3.650 -6.582 -7.116 204 HA PHE 30 HA PHE 30 -6.433 -6.130 -7.817 205 HB2 PHE 30 HB2 PHE 30 -6.782 -5.092 -5.546 206 HB3 PHE 30 HB1 PHE 30 -6.621 -6.841 -5.536 207 HD1 PHE 30 HD2 PHE 30 -4.662 -7.895 -4.545 208 HD2 PHE 30 HD1 PHE 30 -5.106 -3.661 -4.539 209 HE1 PHE 30 HE2 PHE 30 -2.896 -7.715 -2.853 210 HE2 PHE 30 HE1 PHE 30 -3.340 -3.480 -2.836 211 HZ PHE 30 HZ PHE 30 -2.234 -5.508 -1.996 212 H LEU 31 HN LEU 31 -3.886 -5.303 -8.874 213 HA LEU 31 HA LEU 31 -3.166 -2.720 -7.859 214 HB2 LEU 31 HB2 LEU 31 -2.240 -4.393 -10.155 215 HB3 LEU 31 HB1 LEU 31 -1.788 -2.707 -10.074 216 HG LEU 31 HG LEU 31 -0.661 -3.103 -7.929 217 HD11 LEU 31 HD11 LEU 31 -0.250 -5.336 -7.119 218 HD12 LEU 31 HD12 LEU 31 -1.339 -5.994 -8.348 219 HD13 LEU 31 HD13 LEU 31 -1.968 -4.935 -7.078 220 HD21 LEU 31 HD21 LEU 31 0.206 -4.953 -10.136 221 HD22 LEU 31 HD22 LEU 31 1.209 -4.414 -8.792 222 HD23 LEU 31 HD23 LEU 31 0.613 -3.245 -9.974 223 H ASP 32 HN ASP 32 -5.480 -3.821 -10.009 224 HA ASP 32 HA ASP 32 -5.651 -1.285 -11.435 225 HB2 ASP 32 HB2 ASP 32 -7.339 -2.370 -12.826 226 HB3 ASP 32 HB1 ASP 32 -5.878 -3.348 -12.741 227 H LEU 33 HN LEU 33 -6.710 -2.353 -8.514 228 HA LEU 33 HA LEU 33 -9.427 -1.401 -8.678 229 HB2 LEU 33 HB2 LEU 33 -7.745 -2.217 -6.312 230 HB3 LEU 33 HB1 LEU 33 -9.389 -1.630 -6.167 231 HG LEU 33 HG LEU 33 -8.518 -4.164 -7.566 232 HD11 LEU 33 HD11 LEU 33 -9.703 -5.277 -5.760 233 HD12 LEU 33 HD12 LEU 33 -10.124 -3.722 -5.054 234 HD13 LEU 33 HD13 LEU 33 -8.441 -4.237 -5.092 235 HD21 LEU 33 HD21 LEU 33 -10.914 -4.590 -7.820 236 HD22 LEU 33 HD22 LEU 33 -10.430 -3.122 -8.675 237 HD23 LEU 33 HD23 LEU 33 -11.261 -3.005 -7.124 238 H ARG 34 HN ARG 34 -10.245 0.366 -7.423 239 HA ARG 34 HA ARG 34 -8.269 2.524 -7.205 240 HB2 ARG 34 HB2 ARG 34 -11.269 2.721 -7.559 241 HB3 ARG 34 HB1 ARG 34 -10.126 4.060 -7.560 242 HG2 ARG 34 HG2 ARG 34 -10.228 1.826 -9.541 243 HG3 ARG 34 HG1 ARG 34 -10.827 3.468 -9.820 244 HD2 ARG 34 HD2 ARG 34 -8.609 4.359 -9.576 245 HD3 ARG 34 HD1 ARG 34 -7.967 2.782 -9.126 246 HE ARG 34 HE ARG 34 -9.014 2.303 -11.536 247 HH11 ARG 34 HH11 ARG 34 -6.978 4.936 -10.400 248 HH12 ARG 34 HH12 ARG 34 -6.021 5.060 -11.771 249 HH21 ARG 34 HH21 ARG 34 -7.711 2.456 -13.555 250 HH22 ARG 34 HH22 ARG 34 -6.464 3.635 -13.624 251 H PHE 35 HN PHE 35 -7.984 3.392 -5.246 252 HA PHE 35 HA PHE 35 -8.928 1.989 -2.979 253 HB2 PHE 35 HB2 PHE 35 -7.590 4.684 -3.112 254 HB3 PHE 35 HB1 PHE 35 -7.793 3.703 -1.666 255 HD1 PHE 35 HD2 PHE 35 -6.797 1.302 -1.802 256 HD2 PHE 35 HD1 PHE 35 -5.671 4.542 -4.305 257 HE1 PHE 35 HE2 PHE 35 -4.649 0.199 -2.258 258 HE2 PHE 35 HE1 PHE 35 -3.542 3.453 -4.776 259 HZ PHE 35 HZ PHE 35 -3.016 1.277 -3.744 260 H GLU 36 HN GLU 36 -9.752 5.048 -4.444 261 HA GLU 36 HA GLU 36 -11.451 5.963 -2.381 262 HB2 GLU 36 HB2 GLU 36 -10.416 7.235 -4.390 263 HB3 GLU 36 HB1 GLU 36 -11.768 6.619 -5.315 264 HG2 GLU 36 HG2 GLU 36 -12.069 8.322 -2.845 265 HG3 GLU 36 HG1 GLU 36 -11.978 8.975 -4.473 266 H ASP 37 HN ASP 37 -11.906 3.980 -5.188 267 HA ASP 37 HA ASP 37 -14.745 3.820 -5.066 268 HB2 ASP 37 HB2 ASP 37 -13.582 3.495 -7.164 269 HB3 ASP 37 HB1 ASP 37 -12.720 2.113 -6.501 270 H ILE 38 HN ILE 38 -12.130 1.750 -3.862 271 HA ILE 38 HA ILE 38 -14.064 -0.191 -2.911 272 HB ILE 38 HB ILE 38 -12.160 -1.534 -2.098 273 HG12 ILE 38 HG12 ILE 38 -10.442 0.687 -3.253 274 HG13 ILE 38 HG11 ILE 38 -10.620 0.322 -1.545 275 HG21 ILE 38 HG21 ILE 38 -12.984 -1.851 -4.326 276 HG22 ILE 38 HG22 ILE 38 -11.221 -2.044 -4.319 277 HG23 ILE 38 HG23 ILE 38 -11.957 -0.545 -4.917 278 HD11 ILE 38 HD11 ILE 38 -9.568 -1.852 -1.895 279 HD12 ILE 38 HD12 ILE 38 -8.522 -0.535 -2.428 280 HD13 ILE 38 HD13 ILE 38 -9.404 -1.498 -3.613 281 H GLY 39 HN GLY 39 -13.863 2.504 -1.783 282 HA2 GLY 39 HA2 GLY 39 -14.407 3.450 0.265 283 HA3 GLY 39 HA1 GLY 39 -14.644 1.815 0.858 284 H TYR 40 HN TYR 40 -11.697 3.255 -0.411 285 HA TYR 40 HA TYR 40 -10.470 2.887 2.217 286 HB2 TYR 40 HB2 TYR 40 -9.648 2.051 -0.447 287 HB3 TYR 40 HB1 TYR 40 -8.413 2.967 0.403 288 HD1 TYR 40 HD2 TYR 40 -10.542 -0.039 0.555 289 HD2 TYR 40 HD1 TYR 40 -7.209 2.040 2.162 290 HE1 TYR 40 HE2 TYR 40 -9.899 -2.055 1.784 291 HE2 TYR 40 HE1 TYR 40 -6.515 0.088 3.388 292 HH TYR 40 HH TYR 40 -7.468 -2.038 4.228 293 H ASP 41 HN ASP 41 -10.390 4.865 3.063 294 HA ASP 41 HA ASP 41 -9.719 7.178 1.509 295 HB2 ASP 41 HB2 ASP 41 -9.671 6.663 4.500 296 HB3 ASP 41 HB1 ASP 41 -9.129 8.181 3.803 297 H SER 42 HN SER 42 -7.665 8.213 1.455 298 HA SER 42 HA SER 42 -5.593 6.250 1.342 299 HB2 SER 42 HB2 SER 42 -4.162 8.104 0.501 300 HB3 SER 42 HB1 SER 42 -5.673 7.946 -0.395 301 H LEU 43 HN LEU 43 -6.792 8.185 3.694 302 HA LEU 43 HA LEU 43 -4.522 8.584 5.352 303 HB2 LEU 43 HB2 LEU 43 -7.418 8.204 6.125 304 HB3 LEU 43 HB1 LEU 43 -6.166 8.860 7.159 305 HG LEU 43 HG LEU 43 -7.161 10.154 4.619 306 HD11 LEU 43 HD11 LEU 43 -8.193 11.790 6.104 307 HD12 LEU 43 HD12 LEU 43 -7.680 10.840 7.500 308 HD13 LEU 43 HD13 LEU 43 -8.849 10.173 6.361 309 HD21 LEU 43 HD21 LEU 43 -5.269 11.155 6.745 310 HD22 LEU 43 HD22 LEU 43 -5.867 12.093 5.377 311 HD23 LEU 43 HD23 LEU 43 -4.828 10.693 5.103 312 H ALA 44 HN ALA 44 -6.578 5.853 4.647 313 HA ALA 44 HA ALA 44 -5.568 4.226 6.786 314 HB1 ALA 44 HB1 ALA 44 -7.047 3.457 4.256 315 HB2 ALA 44 HB2 ALA 44 -7.786 3.775 5.823 316 HB3 ALA 44 HB3 ALA 44 -6.719 2.385 5.618 317 H LEU 45 HN LEU 45 -4.967 4.783 3.393 318 HA LEU 45 HA LEU 45 -3.148 2.764 2.895 319 HB2 LEU 45 HB2 LEU 45 -3.306 5.527 1.698 320 HB3 LEU 45 HB1 LEU 45 -2.291 4.252 1.063 321 HG LEU 45 HG LEU 45 -5.292 4.085 1.258 322 HD11 LEU 45 HD11 LEU 45 -4.568 5.817 -0.319 323 HD12 LEU 45 HD12 LEU 45 -5.234 4.416 -1.163 324 HD13 LEU 45 HD13 LEU 45 -3.489 4.657 -1.092 325 HD21 LEU 45 HD21 LEU 45 -3.233 2.408 -0.125 326 HD22 LEU 45 HD22 LEU 45 -4.976 2.174 -0.212 327 HD23 LEU 45 HD23 LEU 45 -4.128 1.938 1.324 328 H MET 46 HN MET 46 -2.742 6.013 4.173 329 HA MET 46 HA MET 46 0.071 6.187 4.303 330 HB2 MET 46 HB2 MET 46 -2.010 7.465 6.087 331 HB3 MET 46 HB1 MET 46 -0.311 7.899 6.080 332 HG2 MET 46 HG2 MET 46 -0.486 8.716 3.793 333 HG3 MET 46 HG1 MET 46 -2.150 8.140 3.716 334 HE1 MET 46 HE1 MET 46 -2.548 12.035 3.701 335 HE2 MET 46 HE2 MET 46 -2.888 10.528 2.849 336 HE3 MET 46 HE3 MET 46 -1.230 11.112 2.977 337 H GLU 47 HN GLU 47 -2.194 4.457 6.242 338 HA GLU 47 HA GLU 47 -0.307 4.007 8.389 339 HB2 GLU 47 HB2 GLU 47 -2.807 4.321 8.729 340 HB3 GLU 47 HB1 GLU 47 -3.034 2.763 7.956 341 HG2 GLU 47 HG2 GLU 47 -1.750 1.695 9.720 342 HG3 GLU 47 HG1 GLU 47 -1.495 3.262 10.489 343 H THR 48 HN THR 48 -1.834 2.355 5.666 344 HA THR 48 HA THR 48 -0.886 -0.240 5.859 345 HB THR 48 HB THR 48 -1.107 1.442 3.342 346 HG1 THR 48 HG1 THR 48 -2.964 0.491 5.113 347 HG21 THR 48 HG21 THR 48 -1.634 -0.692 2.243 348 HG22 THR 48 HG22 THR 48 -1.408 -1.536 3.773 349 HG23 THR 48 HG23 THR 48 -0.035 -0.748 2.991 350 H ALA 49 HN ALA 49 0.549 2.512 4.154 351 HA ALA 49 HA ALA 49 2.918 1.294 3.371 352 HB1 ALA 49 HB1 ALA 49 2.384 4.214 3.894 353 HB2 ALA 49 HB2 ALA 49 2.042 3.358 2.391 354 HB3 ALA 49 HB3 ALA 49 3.709 3.554 2.936 355 H ALA 50 HN ALA 50 2.079 3.046 6.319 356 HA ALA 50 HA ALA 50 4.684 3.207 7.356 357 HB1 ALA 50 HB1 ALA 50 3.636 3.682 9.508 358 HB2 ALA 50 HB2 ALA 50 2.081 3.130 8.881 359 HB3 ALA 50 HB3 ALA 50 2.841 4.577 8.211 360 H ARG 51 HN ARG 51 2.129 0.810 7.784 361 HA ARG 51 HA ARG 51 3.395 -0.895 9.597 362 HB2 ARG 51 HB2 ARG 51 1.435 -1.499 7.372 363 HB3 ARG 51 HB1 ARG 51 1.981 -2.721 8.500 364 HG2 ARG 51 HG2 ARG 51 0.618 -0.183 9.386 365 HG3 ARG 51 HG1 ARG 51 -0.268 -1.646 8.967 366 HD2 ARG 51 HD2 ARG 51 0.055 -1.504 11.382 367 HD3 ARG 51 HD1 ARG 51 0.939 -2.874 10.721 368 HE ARG 51 HE ARG 51 2.343 -0.357 11.167 369 HH11 ARG 51 HH11 ARG 51 1.666 -3.571 12.440 370 HH12 ARG 51 HH12 ARG 51 3.191 -3.780 13.182 371 HH21 ARG 51 HH21 ARG 51 4.336 -0.549 12.213 372 HH22 ARG 51 HH22 ARG 51 4.814 -1.975 13.047 373 H LEU 52 HN LEU 52 3.348 -1.040 6.088 374 HA LEU 52 HA LEU 52 5.192 -3.170 5.911 375 HB2 LEU 52 HB2 LEU 52 4.340 -1.182 3.831 376 HB3 LEU 52 HB1 LEU 52 5.370 -2.561 3.499 377 HG LEU 52 HG LEU 52 2.546 -2.708 4.543 378 HD11 LEU 52 HD11 LEU 52 2.627 -1.957 2.244 379 HD12 LEU 52 HD12 LEU 52 2.010 -3.605 2.347 380 HD13 LEU 52 HD13 LEU 52 3.666 -3.314 1.819 381 HD21 LEU 52 HD21 LEU 52 2.750 -5.104 4.129 382 HD22 LEU 52 HD22 LEU 52 3.921 -4.561 5.328 383 HD23 LEU 52 HD23 LEU 52 4.440 -4.888 3.674 384 H GLU 53 HN GLU 53 5.746 0.344 5.859 385 HA GLU 53 HA GLU 53 8.412 0.102 4.937 386 HB2 GLU 53 HB2 GLU 53 8.631 2.442 5.326 387 HB3 GLU 53 HB1 GLU 53 6.929 2.164 4.976 388 HG2 GLU 53 HG2 GLU 53 6.343 2.342 7.275 389 HG3 GLU 53 HG1 GLU 53 8.037 2.500 7.724 390 H SER 54 HN SER 54 7.017 0.195 8.080 391 HA SER 54 HA SER 54 9.435 0.206 9.566 392 HB2 SER 54 HB2 SER 54 6.744 -0.905 10.401 393 HB3 SER 54 HB1 SER 54 8.050 -0.391 11.470 394 HG SER 54 HG SER 54 6.303 1.156 9.897 395 H ARG 55 HN ARG 55 7.343 -2.323 8.353 396 HA ARG 55 HA ARG 55 8.662 -4.472 9.631 397 HB2 ARG 55 HB2 ARG 55 6.337 -4.592 9.034 398 HB3 ARG 55 HB1 ARG 55 6.721 -4.380 7.338 399 HG2 ARG 55 HG2 ARG 55 7.722 -6.547 7.234 400 HG3 ARG 55 HG1 ARG 55 7.585 -6.741 8.984 401 HD2 ARG 55 HD2 ARG 55 5.247 -6.370 7.118 402 HD3 ARG 55 HD1 ARG 55 5.819 -7.936 7.699 403 HE ARG 55 HE ARG 55 5.366 -7.018 9.989 404 HH11 ARG 55 HH11 ARG 55 3.523 -5.689 7.265 405 HH12 ARG 55 HH12 ARG 55 2.098 -5.498 8.204 406 HH21 ARG 55 HH21 ARG 55 3.465 -6.700 11.180 407 HH22 ARG 55 HH22 ARG 55 2.025 -6.104 10.424 408 H TYR 56 HN TYR 56 9.028 -3.034 6.420 409 HA TYR 56 HA TYR 56 10.954 -5.149 5.821 410 HB2 TYR 56 HB2 TYR 56 9.510 -3.280 3.952 411 HB3 TYR 56 HB1 TYR 56 10.773 -4.397 3.442 412 HD1 TYR 56 HD1 TYR 56 7.334 -4.109 4.674 413 HD2 TYR 56 HD2 TYR 56 10.362 -6.794 3.370 414 HE1 TYR 56 HE1 TYR 56 5.679 -5.878 4.527 415 HE2 TYR 56 HE2 TYR 56 8.692 -8.593 3.198 416 HH TYR 56 HH TYR 56 5.312 -7.968 3.418 417 H GLY 57 HN GLY 57 11.061 -2.098 6.985 418 HA2 GLY 57 HA2 GLY 57 12.976 -0.943 7.562 419 HA3 GLY 57 HA1 GLY 57 13.908 -2.052 6.573 420 H VAL 58 HN VAL 58 11.237 0.130 5.737 421 HA VAL 58 HA VAL 58 13.121 1.631 4.111 422 HB VAL 58 HB VAL 58 11.494 1.898 2.244 423 HG11 VAL 58 HG11 VAL 58 12.004 -0.951 2.916 424 HG12 VAL 58 HG12 VAL 58 13.172 0.124 2.123 425 HG13 VAL 58 HG13 VAL 58 11.660 -0.332 1.304 426 HG21 VAL 58 HG21 VAL 58 9.521 0.527 2.069 427 HG22 VAL 58 HG22 VAL 58 9.426 1.482 3.553 428 HG23 VAL 58 HG23 VAL 58 9.891 -0.236 3.605 429 H SER 59 HN SER 59 11.840 3.717 3.213 430 HA SER 59 HA SER 59 10.368 4.820 5.490 431 HB2 SER 59 HB2 SER 59 12.470 6.221 3.807 432 HB3 SER 59 HB1 SER 59 11.542 6.943 5.120 433 HG SER 59 HG SER 59 13.442 4.836 5.288 434 H ILE 60 HN ILE 60 8.395 5.137 4.727 435 HA ILE 60 HA ILE 60 8.104 6.052 1.945 436 HB ILE 60 HB ILE 60 6.093 4.516 3.628 437 HG12 ILE 60 HG12 ILE 60 7.671 3.631 1.194 438 HG13 ILE 60 HG11 ILE 60 8.008 3.136 2.846 439 HG21 ILE 60 HG21 ILE 60 4.745 4.423 1.575 440 HG22 ILE 60 HG22 ILE 60 5.933 5.429 0.750 441 HG23 ILE 60 HG23 ILE 60 5.009 6.088 2.099 442 HD11 ILE 60 HD11 ILE 60 5.509 2.521 1.284 443 HD12 ILE 60 HD12 ILE 60 5.824 2.032 2.947 444 HD13 ILE 60 HD13 ILE 60 6.823 1.401 1.638 445 HA PRO 61 HA PRO 61 6.696 9.727 4.082 446 HB2 PRO 61 HB2 PRO 61 6.121 10.703 1.370 447 HB3 PRO 61 HB1 PRO 61 7.228 11.361 2.574 448 HG2 PRO 61 HG2 PRO 61 8.125 10.140 0.351 449 HG3 PRO 61 HG1 PRO 61 8.984 10.030 1.897 450 HD2 PRO 61 HD2 PRO 61 7.180 8.038 0.583 451 HD3 PRO 61 HD1 PRO 61 8.709 7.778 1.452 452 H ASP 62 HN ASP 62 4.784 9.860 4.901 453 HA ASP 62 HA ASP 62 2.564 8.354 4.115 454 HB2 ASP 62 HB2 ASP 62 1.265 9.540 5.820 455 HB3 ASP 62 HB1 ASP 62 2.848 9.084 6.428 456 H ASP 63 HN ASP 63 3.328 11.685 3.347 457 HA ASP 63 HA ASP 63 0.752 12.377 2.424 458 HB2 ASP 63 HB2 ASP 63 1.812 14.344 1.408 459 HB3 ASP 63 HB1 ASP 63 2.394 14.089 3.045 460 H VAL 64 HN VAL 64 3.278 10.582 1.000 461 HA VAL 64 HA VAL 64 2.543 10.887 -1.744 462 HB VAL 64 HB VAL 64 4.027 8.687 -0.330 463 HG11 VAL 64 HG11 VAL 64 3.212 7.930 -2.539 464 HG12 VAL 64 HG12 VAL 64 4.962 8.139 -2.598 465 HG13 VAL 64 HG13 VAL 64 3.905 9.361 -3.303 466 HG21 VAL 64 HG21 VAL 64 5.078 11.058 -1.860 467 HG22 VAL 64 HG22 VAL 64 6.069 9.785 -1.141 468 HG23 VAL 64 HG23 VAL 64 5.102 10.846 -0.114 469 H ALA 65 HN ALA 65 1.527 8.870 0.906 470 HA ALA 65 HA ALA 65 0.232 6.904 -0.707 471 HB1 ALA 65 HB1 ALA 65 -0.155 7.505 2.225 472 HB2 ALA 65 HB2 ALA 65 1.029 6.382 1.551 473 HB3 ALA 65 HB3 ALA 65 -0.696 6.055 1.378 474 H GLY 66 HN GLY 66 -0.545 10.049 0.227 475 HA2 GLY 66 HA2 GLY 66 -3.417 9.695 -0.119 476 HA3 GLY 66 HA1 GLY 66 -2.581 11.209 0.223 477 H ARG 67 HN ARG 67 -0.812 9.834 -2.083 478 HA ARG 67 HA ARG 67 -2.172 11.283 -4.242 479 HB2 ARG 67 HB2 ARG 67 0.667 10.758 -3.598 480 HB3 ARG 67 HB1 ARG 67 0.198 10.980 -5.265 481 HG2 ARG 67 HG2 ARG 67 -0.664 13.218 -4.684 482 HG3 ARG 67 HG1 ARG 67 -0.110 12.967 -3.019 483 HD2 ARG 67 HD2 ARG 67 1.491 14.207 -4.598 484 HD3 ARG 67 HD1 ARG 67 2.156 12.861 -3.666 485 HE ARG 67 HE ARG 67 1.142 12.412 -6.365 486 HH11 ARG 67 HH11 ARG 67 4.068 12.804 -4.406 487 HH12 ARG 67 HH12 ARG 67 4.973 11.627 -5.212 488 HH21 ARG 67 HH21 ARG 67 2.352 10.709 -7.461 489 HH22 ARG 67 HH22 ARG 67 3.965 10.365 -7.030 490 H VAL 68 HN VAL 68 -1.477 8.097 -3.206 491 HA VAL 68 HA VAL 68 -0.689 7.139 -5.764 492 HB VAL 68 HB VAL 68 -0.886 4.842 -4.805 493 HG11 VAL 68 HG11 VAL 68 0.988 5.079 -3.245 494 HG12 VAL 68 HG12 VAL 68 0.708 6.822 -3.194 495 HG13 VAL 68 HG13 VAL 68 1.199 6.051 -4.702 496 HG21 VAL 68 HG21 VAL 68 -1.232 4.586 -2.394 497 HG22 VAL 68 HG22 VAL 68 -2.670 5.219 -3.197 498 HG23 VAL 68 HG23 VAL 68 -1.626 6.305 -2.271 499 H ASP 69 HN ASP 69 -1.810 6.928 -7.360 500 HA ASP 69 HA ASP 69 -4.652 7.114 -7.427 501 HB2 ASP 69 HB2 ASP 69 -3.277 7.893 -9.299 502 HB3 ASP 69 HB1 ASP 69 -2.703 6.263 -9.570 503 H THR 70 HN THR 70 -2.397 4.440 -7.809 504 HA THR 70 HA THR 70 -4.639 2.575 -7.522 505 HB THR 70 HB THR 70 -3.491 1.135 -9.218 506 HG1 THR 70 HG1 THR 70 -2.277 3.229 -10.486 507 HG21 THR 70 HG21 THR 70 -4.459 3.825 -10.138 508 HG22 THR 70 HG22 THR 70 -5.493 2.444 -9.757 509 HG23 THR 70 HG23 THR 70 -4.392 2.379 -11.145 510 HA PRO 71 HA PRO 71 -1.850 0.262 -4.882 511 HB2 PRO 71 HB2 PRO 71 -2.778 -2.195 -6.258 512 HB3 PRO 71 HB1 PRO 71 -2.880 -1.771 -4.543 513 HG2 PRO 71 HG2 PRO 71 -5.054 -1.770 -6.074 514 HG3 PRO 71 HG1 PRO 71 -4.812 -0.524 -4.831 515 HD2 PRO 71 HD2 PRO 71 -4.390 -0.360 -7.788 516 HD3 PRO 71 HD1 PRO 71 -5.149 0.816 -6.689 517 H ARG 72 HN ARG 72 -1.932 0.000 -8.310 518 HA ARG 72 HA ARG 72 0.372 -1.578 -8.729 519 HB2 ARG 72 HB2 ARG 72 -1.423 -0.796 -10.442 520 HB3 ARG 72 HB1 ARG 72 -0.486 0.687 -10.538 521 HG2 ARG 72 HG2 ARG 72 1.487 -0.657 -11.201 522 HG3 ARG 72 HG1 ARG 72 0.458 -2.089 -11.216 523 HD2 ARG 72 HD2 ARG 72 0.364 0.318 -13.013 524 HD3 ARG 72 HD1 ARG 72 0.586 -1.371 -13.454 525 HE ARG 72 HE ARG 72 -1.888 -0.011 -12.752 526 HH11 ARG 72 HH11 ARG 72 -0.427 -3.178 -13.617 527 HH12 ARG 72 HH12 ARG 72 -1.855 -3.740 -14.361 528 HH21 ARG 72 HH21 ARG 72 -3.819 -0.879 -13.775 529 HH22 ARG 72 HH22 ARG 72 -3.787 -2.429 -14.476 530 H GLU 73 HN GLU 73 -0.241 1.915 -8.643 531 HA GLU 73 HA GLU 73 2.430 2.766 -8.792 532 HB2 GLU 73 HB2 GLU 73 0.551 4.238 -9.349 533 HB3 GLU 73 HB1 GLU 73 -0.026 4.136 -7.699 534 HG2 GLU 73 HG2 GLU 73 1.774 5.405 -6.877 535 HG3 GLU 73 HG1 GLU 73 2.650 5.278 -8.405 536 H LEU 74 HN LEU 74 0.306 2.091 -6.086 537 HA LEU 74 HA LEU 74 2.032 2.984 -4.040 538 HB2 LEU 74 HB2 LEU 74 -0.445 2.548 -3.838 539 HB3 LEU 74 HB1 LEU 74 -0.113 0.839 -3.872 540 HG LEU 74 HG LEU 74 -0.665 1.767 -1.618 541 HD11 LEU 74 HD11 LEU 74 1.076 0.634 -0.366 542 HD12 LEU 74 HD12 LEU 74 2.068 0.551 -1.823 543 HD13 LEU 74 HD13 LEU 74 0.534 -0.314 -1.751 544 HD21 LEU 74 HD21 LEU 74 1.030 3.040 -0.397 545 HD22 LEU 74 HD22 LEU 74 0.423 3.925 -1.796 546 HD23 LEU 74 HD23 LEU 74 2.003 3.141 -1.862 547 H LEU 75 HN LEU 75 1.585 -0.242 -5.507 548 HA LEU 75 HA LEU 75 3.468 -1.604 -3.930 549 HB2 LEU 75 HB2 LEU 75 1.725 -2.670 -5.348 550 HB3 LEU 75 HB1 LEU 75 2.606 -2.165 -6.770 551 HG LEU 75 HG LEU 75 4.493 -3.618 -6.084 552 HD11 LEU 75 HD11 LEU 75 4.092 -3.637 -3.684 553 HD12 LEU 75 HD12 LEU 75 4.126 -5.280 -4.329 554 HD13 LEU 75 HD13 LEU 75 2.586 -4.520 -3.930 555 HD21 LEU 75 HD21 LEU 75 2.808 -4.414 -7.657 556 HD22 LEU 75 HD22 LEU 75 1.814 -4.979 -6.317 557 HD23 LEU 75 HD23 LEU 75 3.381 -5.727 -6.631 558 H ASP 76 HN ASP 76 3.707 0.104 -7.012 559 HA ASP 76 HA ASP 76 6.366 -0.366 -7.692 560 HB2 ASP 76 HB2 ASP 76 4.911 0.775 -9.235 561 HB3 ASP 76 HB1 ASP 76 4.658 2.093 -8.098 562 H LEU 77 HN LEU 77 4.976 2.152 -5.689 563 HA LEU 77 HA LEU 77 7.247 3.580 -5.017 564 HB2 LEU 77 HB2 LEU 77 5.096 4.426 -4.467 565 HB3 LEU 77 HB1 LEU 77 4.717 3.023 -3.493 566 HG LEU 77 HG LEU 77 6.391 3.734 -1.833 567 HD11 LEU 77 HD11 LEU 77 6.669 6.192 -3.545 568 HD12 LEU 77 HD12 LEU 77 7.900 4.953 -3.283 569 HD13 LEU 77 HD13 LEU 77 7.366 5.958 -1.941 570 HD21 LEU 77 HD21 LEU 77 4.066 4.365 -1.569 571 HD22 LEU 77 HD22 LEU 77 4.337 5.824 -2.525 572 HD23 LEU 77 HD23 LEU 77 5.133 5.630 -0.962 573 H ILE 78 HN ILE 78 5.776 0.851 -3.306 574 HA ILE 78 HA ILE 78 7.762 0.771 -1.304 575 HB ILE 78 HB ILE 78 5.914 -1.475 -2.145 576 HG12 ILE 78 HG12 ILE 78 5.596 0.678 -0.036 577 HG13 ILE 78 HG11 ILE 78 4.676 0.550 -1.531 578 HG21 ILE 78 HG21 ILE 78 7.465 -0.984 0.407 579 HG22 ILE 78 HG22 ILE 78 7.810 -2.226 -0.800 580 HG23 ILE 78 HG23 ILE 78 6.316 -2.293 0.135 581 HD11 ILE 78 HD11 ILE 78 3.393 -0.234 0.384 582 HD12 ILE 78 HD12 ILE 78 4.643 -1.427 0.739 583 HD13 ILE 78 HD13 ILE 78 3.709 -1.550 -0.750 584 H ASN 79 HN ASN 79 7.288 -1.272 -4.216 585 HA ASN 79 HA ASN 79 9.543 -2.889 -3.703 586 HB2 ASN 79 HB2 ASN 79 7.977 -2.409 -6.222 587 HB3 ASN 79 HB1 ASN 79 9.481 -3.313 -6.290 588 HD21 ASN 79 HD21 ASN 79 7.252 -3.472 -3.566 589 HD22 ASN 79 HD22 ASN 79 6.758 -5.110 -3.866 590 H GLY 80 HN GLY 80 9.285 0.130 -5.495 591 HA2 GLY 80 HA2 GLY 80 11.944 0.201 -6.407 592 HA3 GLY 80 HA1 GLY 80 10.909 1.602 -6.126 593 H ALA 81 HN ALA 81 10.429 1.474 -3.458 594 HA ALA 81 HA ALA 81 12.719 2.603 -2.312 595 HB1 ALA 81 HB1 ALA 81 11.488 2.553 -0.202 596 HB2 ALA 81 HB2 ALA 81 10.322 1.427 -0.898 597 HB3 ALA 81 HB3 ALA 81 10.440 3.072 -1.524 598 H LEU 82 HN LEU 82 11.362 -0.624 -2.058 599 HA LEU 82 HA LEU 82 13.119 -1.733 -0.168 600 HB2 LEU 82 HB2 LEU 82 11.662 -3.041 -2.462 601 HB3 LEU 82 HB1 LEU 82 12.503 -3.922 -1.203 602 HG LEU 82 HG LEU 82 10.180 -2.070 -0.686 603 HD11 LEU 82 HD11 LEU 82 10.244 -5.067 -0.946 604 HD12 LEU 82 HD12 LEU 82 9.492 -3.943 -2.082 605 HD13 LEU 82 HD13 LEU 82 8.854 -4.101 -0.443 606 HD21 LEU 82 HD21 LEU 82 10.108 -3.223 1.462 607 HD22 LEU 82 HD22 LEU 82 11.657 -2.418 1.216 608 HD23 LEU 82 HD23 LEU 82 11.530 -4.164 1.008 609 H ALA 83 HN ALA 83 13.283 -1.659 -3.704 610 HA ALA 83 HA ALA 83 15.672 -3.126 -3.958 611 HB1 ALA 83 HB1 ALA 83 14.556 -1.018 -5.813 612 HB2 ALA 83 HB2 ALA 83 14.142 -2.732 -5.838 613 HB3 ALA 83 HB3 ALA 83 15.783 -2.216 -6.227 614 H GLU 84 HN GLU 84 15.035 0.292 -3.561 615 HA GLU 84 HA GLU 84 17.793 1.039 -3.773 616 HB2 GLU 84 HB2 GLU 84 15.369 2.582 -2.864 617 HB3 GLU 84 HB1 GLU 84 16.966 3.278 -3.104 618 HG2 GLU 84 HG2 GLU 84 15.341 1.925 -5.242 619 HG3 GLU 84 HG1 GLU 84 15.429 3.665 -4.989 620 H ALA 85 HN ALA 85 16.156 -0.515 -1.363 621 HA ALA 85 HA ALA 85 17.738 0.737 0.772 622 HB1 ALA 85 HB1 ALA 85 15.315 0.745 1.163 623 HB2 ALA 85 HB2 ALA 85 16.143 -0.288 2.329 624 HB3 ALA 85 HB3 ALA 85 15.278 -1.008 0.972 625 H ALA 86 HN ALA 86 18.424 -1.336 -1.305 626 HA ALA 86 HA ALA 86 18.887 -3.721 0.225 627 HB1 ALA 86 HB1 ALA 86 19.949 -4.553 -1.816 628 HB2 ALA 86 HB2 ALA 86 19.813 -2.951 -2.545 629 HB3 ALA 86 HB3 ALA 86 18.359 -3.877 -2.159 630 H28 SXV 87 H28A SXV 87 -7.321 12.224 2.256 631 H28A SXV 87 H28B SXV 87 -5.666 11.611 2.245 632 H30 SXV 87 H30C SXV 87 -4.930 13.431 3.576 633 H30A SXV 87 H30A SXV 87 -6.586 14.036 3.639 634 H30B SXV 87 H30B SXV 87 -5.274 15.104 3.134 635 H31 SXV 87 H31C SXV 87 -3.800 13.058 1.447 636 H31A SXV 87 H31A SXV 87 -4.131 14.700 0.892 637 H31B SXV 87 H31B SXV 87 -4.645 13.320 -0.077 638 H32 SXV 87 H32A SXV 87 -7.796 14.682 1.526 639 HO33 SXV 87 H33A SXV 87 -6.988 13.140 -0.311 640 HN36 SXV 87 H36A SXV 87 -6.919 15.761 -1.111 641 H37 SXV 87 H37B SXV 87 -5.093 17.952 -0.616 642 H37A SXV 87 H37A SXV 87 -6.754 18.496 -0.753 643 H38 SXV 87 H38B SXV 87 -6.844 17.680 -3.048 644 H38A SXV 87 H38A SXV 87 -5.288 16.848 -2.807 645 HN41 SXV 87 H41A SXV 87 -5.110 18.076 -4.870 646 H42 SXV 87 H42B SXV 87 -3.225 20.178 -4.455 647 H42A SXV 87 H42A SXV 87 -4.683 20.716 -5.277 648 H43 SXV 87 H43B SXV 87 -2.976 18.389 -6.125 649 H43A SXV 87 H43A SXV 87 -4.295 19.089 -7.048 650 H1 SXV 87 H1B SXV 87 -4.193 21.581 -8.004 651 H1A SXV 87 H1A SXV 87 -3.643 22.284 -6.471 652 H2 SXV 87 H2A SXV 87 -1.698 23.204 -7.540 653 H2A SXV 87 H2B SXV 87 -3.212 23.888 -8.143 654 H4 SXV 87 H4C SXV 87 -0.518 21.488 -10.185 655 H4A SXV 87 H4A SXV 87 -0.146 22.644 -8.899 656 H4B SXV 87 H4B SXV 87 -0.397 23.216 -10.555 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 20.245 -9.363 -6.550 2 H2 MET 1 HT2 MET 1 21.335 -10.466 -5.902 3 H3 MET 1 HT3 MET 1 21.143 -8.910 -5.213 4 HA MET 1 HA MET 1 19.005 -10.944 -5.354 5 HB2 MET 1 HB2 MET 1 20.592 -9.995 -2.950 6 HB3 MET 1 HB1 MET 1 19.196 -11.060 -2.886 7 HG2 MET 1 HG2 MET 1 20.463 -12.724 -4.202 8 HG3 MET 1 HG1 MET 1 21.864 -11.659 -4.134 9 HE1 MET 1 HE1 MET 1 21.453 -10.495 -1.109 10 HE2 MET 1 HE2 MET 1 23.026 -10.934 -1.776 11 HE3 MET 1 HE3 MET 1 22.518 -11.580 -0.216 12 H ALA 2 HN ALA 2 17.015 -10.207 -4.779 13 HA ALA 2 HA ALA 2 16.730 -7.553 -3.659 14 HB1 ALA 2 HB1 ALA 2 15.246 -6.769 -5.442 15 HB2 ALA 2 HB2 ALA 2 15.554 -8.246 -6.359 16 HB3 ALA 2 HB3 ALA 2 16.862 -7.098 -6.072 17 H THR 3 HN THR 3 15.090 -7.590 -2.254 18 HA THR 3 HA THR 3 13.202 -9.817 -2.377 19 HB THR 3 HB THR 3 12.697 -9.042 -0.010 20 HG1 THR 3 HG1 THR 3 13.422 -7.008 0.024 21 HG21 THR 3 HG21 THR 3 14.196 -10.938 -0.439 22 HG22 THR 3 HG22 THR 3 14.747 -10.010 0.959 23 HG23 THR 3 HG23 THR 3 15.561 -9.833 -0.594 24 H LEU 4 HN LEU 4 11.457 -9.217 -3.565 25 HA LEU 4 HA LEU 4 10.383 -6.515 -3.152 26 HB2 LEU 4 HB2 LEU 4 10.078 -8.340 -5.540 27 HB3 LEU 4 HB1 LEU 4 9.293 -6.789 -5.361 28 HG LEU 4 HG LEU 4 12.277 -7.223 -5.570 29 HD11 LEU 4 HD11 LEU 4 10.301 -6.110 -7.555 30 HD12 LEU 4 HD12 LEU 4 11.123 -7.666 -7.666 31 HD13 LEU 4 HD13 LEU 4 12.052 -6.168 -7.760 32 HD21 LEU 4 HD21 LEU 4 11.715 -5.269 -4.203 33 HD22 LEU 4 HD22 LEU 4 10.663 -4.669 -5.488 34 HD23 LEU 4 HD23 LEU 4 12.401 -4.784 -5.755 35 H LEU 5 HN LEU 5 8.477 -6.375 -2.201 36 HA LEU 5 HA LEU 5 7.176 -8.617 -1.147 37 HB2 LEU 5 HB2 LEU 5 5.615 -7.127 -0.197 38 HB3 LEU 5 HB1 LEU 5 7.142 -6.286 -0.197 39 HG LEU 5 HG LEU 5 4.979 -5.805 -2.235 40 HD11 LEU 5 HD11 LEU 5 4.437 -3.779 -0.944 41 HD12 LEU 5 HD12 LEU 5 5.574 -4.292 0.302 42 HD13 LEU 5 HD13 LEU 5 4.134 -5.255 -0.029 43 HD21 LEU 5 HD21 LEU 5 7.137 -5.037 -3.014 44 HD22 LEU 5 HD22 LEU 5 7.426 -4.199 -1.489 45 HD23 LEU 5 HD23 LEU 5 6.150 -3.645 -2.570 46 H THR 6 HN THR 6 5.255 -9.599 -1.714 47 HA THR 6 HA THR 6 4.579 -9.274 -4.519 48 HB THR 6 HB THR 6 3.299 -11.397 -4.210 49 HG1 THR 6 HG1 THR 6 4.362 -11.197 -1.548 50 HG21 THR 6 HG21 THR 6 5.620 -11.464 -4.986 51 HG22 THR 6 HG22 THR 6 5.272 -12.854 -3.958 52 HG23 THR 6 HG23 THR 6 6.189 -11.489 -3.317 53 H THR 7 HN THR 7 1.989 -9.955 -4.791 54 HA THR 7 HA THR 7 0.489 -7.760 -3.955 55 HB THR 7 HB THR 7 -0.544 -10.502 -4.768 56 HG1 THR 7 HG1 THR 7 -0.553 -9.304 -6.901 57 HG21 THR 7 HG21 THR 7 -2.435 -9.226 -5.663 58 HG22 THR 7 HG22 THR 7 -1.676 -7.727 -5.123 59 HG23 THR 7 HG23 THR 7 -2.239 -8.907 -3.936 60 H ASP 8 HN ASP 8 0.851 -11.055 -2.758 61 HA ASP 8 HA ASP 8 -0.959 -11.145 -0.653 62 HB2 ASP 8 HB2 ASP 8 0.196 -13.146 -1.172 63 HB3 ASP 8 HB1 ASP 8 1.771 -12.383 -1.008 64 H ASP 9 HN ASP 9 2.331 -9.932 -0.678 65 HA ASP 9 HA ASP 9 2.457 -9.276 2.080 66 HB2 ASP 9 HB2 ASP 9 4.059 -8.222 -0.234 67 HB3 ASP 9 HB1 ASP 9 4.426 -7.886 1.456 68 H LEU 10 HN LEU 10 1.728 -7.405 -0.797 69 HA LEU 10 HA LEU 10 1.395 -4.925 0.495 70 HB2 LEU 10 HB2 LEU 10 1.624 -5.201 -1.958 71 HB3 LEU 10 HB1 LEU 10 0.036 -5.942 -2.005 72 HG LEU 10 HG LEU 10 -0.924 -3.806 -1.158 73 HD11 LEU 10 HD11 LEU 10 0.420 -1.778 -1.274 74 HD12 LEU 10 HD12 LEU 10 1.849 -2.745 -1.644 75 HD13 LEU 10 HD13 LEU 10 1.053 -2.912 -0.080 76 HD21 LEU 10 HD21 LEU 10 -0.966 -4.344 -3.529 77 HD22 LEU 10 HD22 LEU 10 0.634 -3.630 -3.733 78 HD23 LEU 10 HD23 LEU 10 -0.737 -2.613 -3.287 79 H ARG 11 HN ARG 11 -0.885 -7.465 -0.385 80 HA ARG 11 HA ARG 11 -3.314 -6.438 0.385 81 HB2 ARG 11 HB2 ARG 11 -3.049 -8.562 -0.754 82 HB3 ARG 11 HB1 ARG 11 -2.288 -9.253 0.666 83 HG2 ARG 11 HG2 ARG 11 -4.396 -8.994 1.904 84 HG3 ARG 11 HG1 ARG 11 -5.152 -8.355 0.440 85 HD2 ARG 11 HD2 ARG 11 -3.906 -11.084 0.750 86 HD3 ARG 11 HD1 ARG 11 -5.640 -10.729 0.705 87 HE ARG 11 HE ARG 11 -5.216 -9.832 -1.550 88 HH11 ARG 11 HH11 ARG 11 -3.201 -12.428 -0.195 89 HH12 ARG 11 HH12 ARG 11 -2.684 -13.039 -1.684 90 HH21 ARG 11 HH21 ARG 11 -4.444 -10.659 -3.657 91 HH22 ARG 11 HH22 ARG 11 -3.396 -11.990 -3.722 92 H ARG 12 HN ARG 12 -0.994 -8.200 2.365 93 HA ARG 12 HA ARG 12 -2.547 -8.260 4.691 94 HB2 ARG 12 HB2 ARG 12 0.455 -8.422 4.411 95 HB3 ARG 12 HB1 ARG 12 -0.455 -8.858 5.861 96 HG2 ARG 12 HG2 ARG 12 -1.658 -10.558 4.601 97 HG3 ARG 12 HG1 ARG 12 -0.752 -10.126 3.154 98 HD2 ARG 12 HD2 ARG 12 1.310 -10.825 4.255 99 HD3 ARG 12 HD1 ARG 12 0.390 -11.261 5.701 100 HE ARG 12 HE ARG 12 0.081 -12.546 3.064 101 HH11 ARG 12 HH11 ARG 12 0.232 -12.786 6.575 102 HH12 ARG 12 HH12 ARG 12 -0.445 -14.349 6.652 103 HH21 ARG 12 HH21 ARG 12 -0.780 -14.682 3.125 104 HH22 ARG 12 HH22 ARG 12 -1.041 -15.469 4.623 105 H ALA 13 HN ALA 13 -0.478 -5.783 3.432 106 HA ALA 13 HA ALA 13 -0.345 -4.234 5.826 107 HB1 ALA 13 HB1 ALA 13 0.000 -3.397 2.968 108 HB2 ALA 13 HB2 ALA 13 1.271 -3.988 4.042 109 HB3 ALA 13 HB3 ALA 13 0.459 -2.462 4.390 110 H LEU 14 HN LEU 14 -2.477 -4.356 3.033 111 HA LEU 14 HA LEU 14 -4.005 -2.105 3.826 112 HB2 LEU 14 HB2 LEU 14 -4.639 -4.383 1.944 113 HB3 LEU 14 HB1 LEU 14 -5.837 -3.183 2.354 114 HG LEU 14 HG LEU 14 -4.963 -2.632 0.226 115 HD11 LEU 14 HD11 LEU 14 -4.016 -0.418 0.538 116 HD12 LEU 14 HD12 LEU 14 -3.759 -0.784 2.244 117 HD13 LEU 14 HD13 LEU 14 -5.396 -0.730 1.589 118 HD21 LEU 14 HD21 LEU 14 -2.199 -2.705 1.413 119 HD22 LEU 14 HD22 LEU 14 -2.602 -2.184 -0.224 120 HD23 LEU 14 HD23 LEU 14 -2.873 -3.857 0.262 121 H VAL 15 HN VAL 15 -4.255 -5.573 4.374 122 HA VAL 15 HA VAL 15 -6.619 -5.690 5.848 123 HB VAL 15 HB VAL 15 -4.082 -7.309 6.341 124 HG11 VAL 15 HG11 VAL 15 -5.605 -7.457 8.241 125 HG12 VAL 15 HG12 VAL 15 -5.555 -8.985 7.361 126 HG13 VAL 15 HG13 VAL 15 -6.930 -7.899 7.164 127 HG21 VAL 15 HG21 VAL 15 -5.148 -9.024 4.963 128 HG22 VAL 15 HG22 VAL 15 -4.903 -7.530 4.056 129 HG23 VAL 15 HG23 VAL 15 -6.506 -7.942 4.662 130 H GLU 16 HN GLU 16 -3.329 -5.008 6.981 131 HA GLU 16 HA GLU 16 -3.824 -4.697 9.681 132 HB2 GLU 16 HB2 GLU 16 -1.742 -3.363 7.944 133 HB3 GLU 16 HB1 GLU 16 -1.815 -3.204 9.688 134 HG2 GLU 16 HG2 GLU 16 -1.642 -5.842 8.278 135 HG3 GLU 16 HG1 GLU 16 -0.262 -4.920 8.872 136 H SER 17 HN SER 17 -4.590 -2.487 7.126 137 HA SER 17 HA SER 17 -5.153 -0.340 9.044 138 HB2 SER 17 HB2 SER 17 -3.666 0.136 7.097 139 HB3 SER 17 HB1 SER 17 -4.988 -0.271 6.014 140 HG SER 17 HG SER 17 -4.612 1.983 6.462 141 H ALA 18 HN ALA 18 -6.693 -2.841 7.454 142 HA ALA 18 HA ALA 18 -9.236 -1.391 7.217 143 HB1 ALA 18 HB1 ALA 18 -8.476 -4.072 6.079 144 HB2 ALA 18 HB2 ALA 18 -8.488 -2.544 5.199 145 HB3 ALA 18 HB3 ALA 18 -9.997 -3.217 5.823 146 H GLY 19 HN GLY 19 -7.768 -4.302 8.543 147 HA2 GLY 19 HA2 GLY 19 -8.381 -5.432 10.432 148 HA3 GLY 19 HA1 GLY 19 -9.801 -4.398 10.573 149 H GLU 20 HN GLU 20 -11.604 -4.812 9.280 150 HA GLU 20 HA GLU 20 -11.610 -7.172 7.647 151 HB2 GLU 20 HB2 GLU 20 -12.049 -7.893 10.080 152 HB3 GLU 20 HB1 GLU 20 -13.582 -7.045 9.921 153 HG2 GLU 20 HG2 GLU 20 -13.897 -9.390 9.488 154 HG3 GLU 20 HG1 GLU 20 -14.146 -8.470 8.000 155 H THR 21 HN THR 21 -12.536 -6.389 5.915 156 HA THR 21 HA THR 21 -15.006 -4.862 6.196 157 HB THR 21 HB THR 21 -12.806 -4.208 4.211 158 HG1 THR 21 HG1 THR 21 -13.208 -3.417 6.836 159 HG21 THR 21 HG21 THR 21 -15.342 -2.746 4.979 160 HG22 THR 21 HG22 THR 21 -15.071 -3.626 3.475 161 HG23 THR 21 HG23 THR 21 -14.139 -2.171 3.825 162 H ASP 22 HN ASP 22 -15.939 -6.934 5.745 163 HA ASP 22 HA ASP 22 -15.273 -8.302 3.332 164 HB2 ASP 22 HB2 ASP 22 -17.128 -9.816 3.791 165 HB3 ASP 22 HB1 ASP 22 -16.203 -9.558 5.256 166 H GLY 23 HN GLY 23 -16.187 -8.273 1.435 167 HA2 GLY 23 HA2 GLY 23 -18.098 -7.629 0.019 168 HA3 GLY 23 HA1 GLY 23 -18.141 -6.118 0.940 169 H THR 24 HN THR 24 -15.284 -6.179 1.224 170 HA THR 24 HA THR 24 -14.493 -5.121 -1.365 171 HB THR 24 HB THR 24 -13.344 -4.846 1.431 172 HG1 THR 24 HG1 THR 24 -14.850 -3.113 -0.242 173 HG21 THR 24 HG21 THR 24 -12.561 -3.442 -1.137 174 HG22 THR 24 HG22 THR 24 -11.599 -4.661 -0.302 175 HG23 THR 24 HG23 THR 24 -11.901 -3.098 0.464 176 H ASP 25 HN ASP 25 -13.916 -7.011 -2.428 177 HA ASP 25 HA ASP 25 -12.493 -9.144 -1.223 178 HB2 ASP 25 HB2 ASP 25 -12.855 -8.457 -4.143 179 HB3 ASP 25 HB1 ASP 25 -11.979 -9.874 -3.588 180 H LEU 26 HN LEU 26 -10.730 -8.520 -0.215 181 HA LEU 26 HA LEU 26 -8.680 -7.085 -1.693 182 HB2 LEU 26 HB2 LEU 26 -9.296 -6.507 0.682 183 HB3 LEU 26 HB1 LEU 26 -8.663 -8.064 1.167 184 HG LEU 26 HG LEU 26 -6.430 -7.385 0.356 185 HD11 LEU 26 HD11 LEU 26 -7.750 -4.705 -0.085 186 HD12 LEU 26 HD12 LEU 26 -7.130 -5.774 -1.340 187 HD13 LEU 26 HD13 LEU 26 -6.020 -5.033 -0.186 188 HD21 LEU 26 HD21 LEU 26 -5.981 -5.797 2.156 189 HD22 LEU 26 HD22 LEU 26 -7.043 -7.100 2.692 190 HD23 LEU 26 HD23 LEU 26 -7.711 -5.508 2.332 191 H SER 27 HN SER 27 -9.554 -10.181 -0.442 192 HA SER 27 HA SER 27 -7.096 -11.515 -0.938 193 HB2 SER 27 HB2 SER 27 -9.900 -12.671 -0.878 194 HB3 SER 27 HB1 SER 27 -8.389 -13.530 -0.593 195 HG SER 27 HG SER 27 -8.324 -11.614 1.168 196 H GLY 28 HN GLY 28 -6.286 -11.729 -2.912 197 HA2 GLY 28 HA2 GLY 28 -6.625 -12.757 -5.132 198 HA3 GLY 28 HA1 GLY 28 -8.108 -11.802 -5.223 199 H ASP 29 HN ASP 29 -7.011 -10.959 -7.206 200 HA ASP 29 HA ASP 29 -4.821 -9.157 -6.607 201 HB2 ASP 29 HB2 ASP 29 -4.551 -8.801 -8.946 202 HB3 ASP 29 HB1 ASP 29 -4.898 -10.511 -8.768 203 H PHE 30 HN PHE 30 -4.940 -6.998 -6.569 204 HA PHE 30 HA PHE 30 -7.521 -5.714 -7.009 205 HB2 PHE 30 HB2 PHE 30 -7.477 -4.691 -4.755 206 HB3 PHE 30 HB1 PHE 30 -7.589 -6.441 -4.667 207 HD1 PHE 30 HD2 PHE 30 -5.635 -7.776 -3.926 208 HD2 PHE 30 HD1 PHE 30 -5.583 -3.521 -3.864 209 HE1 PHE 30 HE2 PHE 30 -3.695 -7.823 -2.420 210 HE2 PHE 30 HE1 PHE 30 -3.639 -3.566 -2.363 211 HZ PHE 30 HZ PHE 30 -2.701 -5.711 -1.631 212 H LEU 31 HN LEU 31 -4.830 -5.640 -8.252 213 HA LEU 31 HA LEU 31 -3.590 -3.231 -7.210 214 HB2 LEU 31 HB2 LEU 31 -2.761 -4.838 -9.621 215 HB3 LEU 31 HB1 LEU 31 -1.838 -3.577 -8.853 216 HG LEU 31 HG LEU 31 -0.802 -5.536 -8.256 217 HD11 LEU 31 HD11 LEU 31 -2.559 -4.835 -5.940 218 HD12 LEU 31 HD12 LEU 31 -0.987 -4.142 -6.353 219 HD13 LEU 31 HD13 LEU 31 -1.108 -5.831 -5.852 220 HD21 LEU 31 HD21 LEU 31 -2.500 -7.092 -8.995 221 HD22 LEU 31 HD22 LEU 31 -3.452 -6.772 -7.541 222 HD23 LEU 31 HD23 LEU 31 -1.872 -7.548 -7.412 223 H ASP 32 HN ASP 32 -5.757 -4.116 -9.736 224 HA ASP 32 HA ASP 32 -5.097 -1.753 -11.344 225 HB2 ASP 32 HB2 ASP 32 -5.476 -4.087 -12.295 226 HB3 ASP 32 HB1 ASP 32 -7.179 -3.839 -11.934 227 H LEU 33 HN LEU 33 -7.400 -2.829 -9.071 228 HA LEU 33 HA LEU 33 -9.518 -1.177 -10.017 229 HB2 LEU 33 HB2 LEU 33 -10.708 -1.832 -7.900 230 HB3 LEU 33 HB1 LEU 33 -10.259 -3.135 -8.971 231 HG LEU 33 HG LEU 33 -8.320 -3.615 -7.430 232 HD11 LEU 33 HD11 LEU 33 -9.733 -1.692 -5.601 233 HD12 LEU 33 HD12 LEU 33 -8.137 -1.472 -6.317 234 HD13 LEU 33 HD13 LEU 33 -8.408 -2.766 -5.151 235 HD21 LEU 33 HD21 LEU 33 -10.344 -4.939 -7.383 236 HD22 LEU 33 HD22 LEU 33 -11.091 -3.793 -6.267 237 HD23 LEU 33 HD23 LEU 33 -9.692 -4.739 -5.756 238 H ARG 34 HN ARG 34 -10.683 0.175 -8.186 239 HA ARG 34 HA ARG 34 -8.731 2.278 -7.631 240 HB2 ARG 34 HB2 ARG 34 -11.733 2.409 -7.847 241 HB3 ARG 34 HB1 ARG 34 -10.678 3.783 -7.530 242 HG2 ARG 34 HG2 ARG 34 -10.670 2.069 -10.000 243 HG3 ARG 34 HG1 ARG 34 -11.263 3.731 -9.861 244 HD2 ARG 34 HD2 ARG 34 -9.107 4.539 -9.351 245 HD3 ARG 34 HD1 ARG 34 -8.437 2.926 -9.212 246 HE ARG 34 HE ARG 34 -9.238 2.921 -11.724 247 HH11 ARG 34 HH11 ARG 34 -7.677 5.432 -9.834 248 HH12 ARG 34 HH12 ARG 34 -6.654 6.012 -11.037 249 HH21 ARG 34 HH21 ARG 34 -7.855 3.752 -13.560 250 HH22 ARG 34 HH22 ARG 34 -6.819 5.067 -13.233 251 H PHE 35 HN PHE 35 -8.693 3.407 -5.662 252 HA PHE 35 HA PHE 35 -9.198 1.792 -3.366 253 HB2 PHE 35 HB2 PHE 35 -8.323 4.675 -3.598 254 HB3 PHE 35 HB1 PHE 35 -8.456 3.805 -2.075 255 HD1 PHE 35 HD2 PHE 35 -7.152 1.521 -2.028 256 HD2 PHE 35 HD1 PHE 35 -6.275 4.770 -4.628 257 HE1 PHE 35 HE2 PHE 35 -4.859 0.691 -2.296 258 HE2 PHE 35 HE1 PHE 35 -4.020 3.949 -4.909 259 HZ PHE 35 HZ PHE 35 -3.281 1.910 -3.732 260 H GLU 36 HN GLU 36 -10.685 4.507 -4.887 261 HA GLU 36 HA GLU 36 -12.621 5.180 -2.972 262 HB2 GLU 36 HB2 GLU 36 -13.207 5.214 -5.933 263 HB3 GLU 36 HB1 GLU 36 -13.768 6.325 -4.705 264 HG2 GLU 36 HG2 GLU 36 -12.244 7.578 -5.932 265 HG3 GLU 36 HG1 GLU 36 -11.308 7.066 -4.531 266 H ASP 37 HN ASP 37 -12.435 2.712 -5.384 267 HA ASP 37 HA ASP 37 -15.125 1.787 -5.253 268 HB2 ASP 37 HB2 ASP 37 -13.669 1.428 -7.211 269 HB3 ASP 37 HB1 ASP 37 -12.627 0.400 -6.235 270 H ILE 38 HN ILE 38 -12.101 0.912 -3.687 271 HA ILE 38 HA ILE 38 -13.471 -1.213 -2.263 272 HB ILE 38 HB ILE 38 -11.255 -1.895 -1.396 273 HG12 ILE 38 HG12 ILE 38 -10.189 0.233 -3.281 274 HG13 ILE 38 HG11 ILE 38 -10.145 0.319 -1.527 275 HG21 ILE 38 HG21 ILE 38 -11.525 -1.649 -4.368 276 HG22 ILE 38 HG22 ILE 38 -12.209 -2.918 -3.347 277 HG23 ILE 38 HG23 ILE 38 -10.453 -2.785 -3.538 278 HD11 ILE 38 HD11 ILE 38 -7.987 -0.317 -2.435 279 HD12 ILE 38 HD12 ILE 38 -8.715 -1.706 -3.240 280 HD13 ILE 38 HD13 ILE 38 -8.668 -1.633 -1.479 281 H GLY 39 HN GLY 39 -13.664 1.713 -1.768 282 HA2 GLY 39 HA2 GLY 39 -14.173 3.035 0.067 283 HA3 GLY 39 HA1 GLY 39 -14.262 1.541 0.984 284 H TYR 40 HN TYR 40 -11.567 3.211 -0.601 285 HA TYR 40 HA TYR 40 -10.252 3.412 2.017 286 HB2 TYR 40 HB2 TYR 40 -9.198 2.451 -0.596 287 HB3 TYR 40 HB1 TYR 40 -8.128 3.382 0.434 288 HD1 TYR 40 HD2 TYR 40 -10.273 0.332 0.393 289 HD2 TYR 40 HD1 TYR 40 -6.988 2.366 2.152 290 HE1 TYR 40 HE2 TYR 40 -9.684 -1.706 1.642 291 HE2 TYR 40 HE1 TYR 40 -6.376 0.360 3.387 292 HH TYR 40 HH TYR 40 -7.480 -1.698 4.195 293 H ASP 41 HN ASP 41 -9.583 5.354 2.571 294 HA ASP 41 HA ASP 41 -9.265 7.419 0.507 295 HB2 ASP 41 HB2 ASP 41 -9.932 7.548 3.434 296 HB3 ASP 41 HB1 ASP 41 -8.956 8.839 2.764 297 H SER 42 HN SER 42 -7.486 8.965 1.187 298 HA SER 42 HA SER 42 -4.956 7.865 1.009 299 HB2 SER 42 HB2 SER 42 -4.256 10.150 1.768 300 HB3 SER 42 HB1 SER 42 -5.482 10.178 0.488 301 H LEU 43 HN LEU 43 -6.880 8.801 3.702 302 HA LEU 43 HA LEU 43 -5.320 8.799 5.931 303 HB2 LEU 43 HB2 LEU 43 -8.029 7.524 5.704 304 HB3 LEU 43 HB1 LEU 43 -7.271 8.099 7.173 305 HG LEU 43 HG LEU 43 -8.160 9.812 4.858 306 HD11 LEU 43 HD11 LEU 43 -9.858 10.607 6.418 307 HD12 LEU 43 HD12 LEU 43 -9.289 9.445 7.618 308 HD13 LEU 43 HD13 LEU 43 -10.007 8.876 6.112 309 HD21 LEU 43 HD21 LEU 43 -6.205 10.755 5.984 310 HD22 LEU 43 HD22 LEU 43 -7.007 10.581 7.544 311 HD23 LEU 43 HD23 LEU 43 -7.650 11.701 6.342 312 H ALA 44 HN ALA 44 -6.979 5.950 4.649 313 HA ALA 44 HA ALA 44 -5.797 4.154 6.489 314 HB1 ALA 44 HB1 ALA 44 -7.182 3.587 3.873 315 HB2 ALA 44 HB2 ALA 44 -7.969 3.731 5.447 316 HB3 ALA 44 HB3 ALA 44 -6.836 2.414 5.143 317 H LEU 45 HN LEU 45 -5.079 5.152 3.219 318 HA LEU 45 HA LEU 45 -3.255 3.130 2.558 319 HB2 LEU 45 HB2 LEU 45 -3.404 5.959 1.535 320 HB3 LEU 45 HB1 LEU 45 -2.527 4.645 0.772 321 HG LEU 45 HG LEU 45 -5.515 4.786 1.133 322 HD11 LEU 45 HD11 LEU 45 -4.716 6.362 -0.530 323 HD12 LEU 45 HD12 LEU 45 -5.562 5.020 -1.302 324 HD13 LEU 45 HD13 LEU 45 -3.802 5.082 -1.326 325 HD21 LEU 45 HD21 LEU 45 -5.557 2.787 -0.272 326 HD22 LEU 45 HD22 LEU 45 -4.677 2.500 1.232 327 HD23 LEU 45 HD23 LEU 45 -3.794 2.756 -0.273 328 H MET 46 HN MET 46 -2.822 6.333 3.951 329 HA MET 46 HA MET 46 -0.008 6.377 4.043 330 HB2 MET 46 HB2 MET 46 -2.014 7.749 5.844 331 HB3 MET 46 HB1 MET 46 -0.290 8.078 5.858 332 HG2 MET 46 HG2 MET 46 -0.397 8.911 3.570 333 HG3 MET 46 HG1 MET 46 -2.113 8.477 3.503 334 HE1 MET 46 HE1 MET 46 -3.678 11.029 6.017 335 HE2 MET 46 HE2 MET 46 -3.142 9.383 6.362 336 HE3 MET 46 HE3 MET 46 -3.995 9.739 4.858 337 H GLU 47 HN GLU 47 -2.371 4.986 6.171 338 HA GLU 47 HA GLU 47 -0.547 4.419 8.293 339 HB2 GLU 47 HB2 GLU 47 -3.033 4.685 8.509 340 HB3 GLU 47 HB1 GLU 47 -3.216 3.135 7.708 341 HG2 GLU 47 HG2 GLU 47 -1.981 2.045 9.500 342 HG3 GLU 47 HG1 GLU 47 -1.797 3.597 10.317 343 H THR 48 HN THR 48 -1.973 2.594 5.618 344 HA THR 48 HA THR 48 -0.890 0.086 5.913 345 HB THR 48 HB THR 48 -1.429 1.754 3.445 346 HG1 THR 48 HG1 THR 48 -2.973 -0.320 4.568 347 HG21 THR 48 HG21 THR 48 -1.060 -1.243 3.648 348 HG22 THR 48 HG22 THR 48 0.039 -0.123 2.840 349 HG23 THR 48 HG23 THR 48 -1.591 -0.372 2.209 350 H ALA 49 HN ALA 49 0.479 2.864 4.143 351 HA ALA 49 HA ALA 49 2.861 1.728 3.294 352 HB1 ALA 49 HB1 ALA 49 2.363 4.611 4.035 353 HB2 ALA 49 HB2 ALA 49 1.984 3.869 2.482 354 HB3 ALA 49 HB3 ALA 49 3.661 4.006 3.007 355 H ALA 50 HN ALA 50 2.256 3.601 6.263 356 HA ALA 50 HA ALA 50 4.910 3.428 7.224 357 HB1 ALA 50 HB1 ALA 50 3.329 5.145 7.963 358 HB2 ALA 50 HB2 ALA 50 4.026 4.264 9.326 359 HB3 ALA 50 HB3 ALA 50 2.382 3.911 8.793 360 H ARG 51 HN ARG 51 2.184 1.318 7.491 361 HA ARG 51 HA ARG 51 3.051 -0.276 9.660 362 HB2 ARG 51 HB2 ARG 51 0.735 -0.216 8.638 363 HB3 ARG 51 HB1 ARG 51 1.371 -1.157 7.302 364 HG2 ARG 51 HG2 ARG 51 0.205 -2.597 8.842 365 HG3 ARG 51 HG1 ARG 51 1.933 -2.963 8.885 366 HD2 ARG 51 HD2 ARG 51 2.214 -1.753 10.909 367 HD3 ARG 51 HD1 ARG 51 0.581 -1.102 10.822 368 HE ARG 51 HE ARG 51 0.519 -3.942 10.918 369 HH11 ARG 51 HH11 ARG 51 1.054 -1.122 12.980 370 HH12 ARG 51 HH12 ARG 51 0.502 -1.861 14.397 371 HH21 ARG 51 HH21 ARG 51 -0.268 -4.940 12.737 372 HH22 ARG 51 HH22 ARG 51 -0.322 -4.162 14.276 373 H LEU 52 HN LEU 52 3.457 -0.520 6.174 374 HA LEU 52 HA LEU 52 5.067 -2.868 6.339 375 HB2 LEU 52 HB2 LEU 52 4.578 -0.998 4.053 376 HB3 LEU 52 HB1 LEU 52 5.653 -2.375 3.935 377 HG LEU 52 HG LEU 52 2.694 -2.434 4.471 378 HD11 LEU 52 HD11 LEU 52 4.330 -3.428 2.147 379 HD12 LEU 52 HD12 LEU 52 3.274 -2.016 2.157 380 HD13 LEU 52 HD13 LEU 52 2.592 -3.628 2.357 381 HD21 LEU 52 HD21 LEU 52 2.896 -4.878 4.451 382 HD22 LEU 52 HD22 LEU 52 3.803 -4.165 5.787 383 HD23 LEU 52 HD23 LEU 52 4.653 -4.734 4.350 384 H GLU 53 HN GLU 53 5.874 0.522 6.435 385 HA GLU 53 HA GLU 53 8.560 0.440 5.804 386 HB2 GLU 53 HB2 GLU 53 7.304 1.993 8.065 387 HB3 GLU 53 HB1 GLU 53 8.910 2.275 7.421 388 HG2 GLU 53 HG2 GLU 53 7.873 2.834 5.245 389 HG3 GLU 53 HG1 GLU 53 6.290 2.678 6.016 390 H SER 54 HN SER 54 6.990 -0.293 8.826 391 HA SER 54 HA SER 54 9.157 -0.827 10.470 392 HB2 SER 54 HB2 SER 54 6.890 -0.535 11.301 393 HB3 SER 54 HB1 SER 54 6.362 -1.992 10.466 394 HG SER 54 HG SER 54 7.738 -1.673 12.838 395 H ARG 55 HN ARG 55 7.652 -2.843 8.024 396 HA ARG 55 HA ARG 55 8.922 -5.247 9.025 397 HB2 ARG 55 HB2 ARG 55 6.623 -5.292 8.125 398 HB3 ARG 55 HB1 ARG 55 7.259 -4.843 6.548 399 HG2 ARG 55 HG2 ARG 55 8.571 -6.915 6.507 400 HG3 ARG 55 HG1 ARG 55 7.872 -7.366 8.062 401 HD2 ARG 55 HD2 ARG 55 5.638 -7.288 7.045 402 HD3 ARG 55 HD1 ARG 55 6.384 -6.914 5.488 403 HE ARG 55 HE ARG 55 7.132 -9.359 6.911 404 HH11 ARG 55 HH11 ARG 55 5.708 -7.845 4.004 405 HH12 ARG 55 HH12 ARG 55 5.539 -9.334 3.208 406 HH21 ARG 55 HH21 ARG 55 6.894 -11.349 5.725 407 HH22 ARG 55 HH22 ARG 55 6.202 -11.316 4.174 408 H TYR 56 HN TYR 56 9.291 -2.998 6.356 409 HA TYR 56 HA TYR 56 11.316 -4.775 5.195 410 HB2 TYR 56 HB2 TYR 56 10.017 -2.355 3.963 411 HB3 TYR 56 HB1 TYR 56 11.138 -3.446 3.160 412 HD1 TYR 56 HD2 TYR 56 10.412 -5.935 2.978 413 HD2 TYR 56 HD1 TYR 56 7.754 -2.760 3.903 414 HE1 TYR 56 HE2 TYR 56 8.503 -7.339 2.320 415 HE2 TYR 56 HE1 TYR 56 5.863 -4.146 3.259 416 HH TYR 56 HH TYR 56 5.397 -6.063 1.855 417 H GLY 57 HN GLY 57 11.159 -1.916 7.038 418 HA2 GLY 57 HA2 GLY 57 12.855 -0.549 7.764 419 HA3 GLY 57 HA1 GLY 57 13.998 -1.591 6.913 420 H VAL 58 HN VAL 58 11.237 0.219 5.758 421 HA VAL 58 HA VAL 58 13.007 1.604 3.881 422 HB VAL 58 HB VAL 58 11.106 1.817 2.310 423 HG11 VAL 58 HG11 VAL 58 12.639 -0.048 2.028 424 HG12 VAL 58 HG12 VAL 58 10.997 -0.518 1.580 425 HG13 VAL 58 HG13 VAL 58 11.663 -1.022 3.131 426 HG21 VAL 58 HG21 VAL 58 9.051 0.494 2.650 427 HG22 VAL 58 HG22 VAL 58 9.251 1.723 3.897 428 HG23 VAL 58 HG23 VAL 58 9.623 0.037 4.257 429 H SER 59 HN SER 59 11.774 3.759 3.053 430 HA SER 59 HA SER 59 10.499 4.927 5.375 431 HB2 SER 59 HB2 SER 59 12.776 6.170 3.822 432 HB3 SER 59 HB1 SER 59 11.887 6.922 5.153 433 HG SER 59 HG SER 59 12.597 4.582 6.009 434 H ILE 60 HN ILE 60 8.607 5.321 4.692 435 HA ILE 60 HA ILE 60 8.208 6.429 1.998 436 HB ILE 60 HB ILE 60 6.226 4.929 3.749 437 HG12 ILE 60 HG12 ILE 60 7.595 4.038 1.193 438 HG13 ILE 60 HG11 ILE 60 8.037 3.498 2.808 439 HG21 ILE 60 HG21 ILE 60 4.773 4.969 1.768 440 HG22 ILE 60 HG22 ILE 60 5.967 5.951 0.917 441 HG23 ILE 60 HG23 ILE 60 5.143 6.599 2.335 442 HD11 ILE 60 HD11 ILE 60 6.683 1.844 1.648 443 HD12 ILE 60 HD12 ILE 60 5.385 3.025 1.460 444 HD13 ILE 60 HD13 ILE 60 5.845 2.469 3.069 445 HA PRO 61 HA PRO 61 7.231 10.056 4.456 446 HB2 PRO 61 HB2 PRO 61 6.513 11.196 1.830 447 HB3 PRO 61 HB1 PRO 61 7.713 11.764 2.995 448 HG2 PRO 61 HG2 PRO 61 8.426 10.623 0.667 449 HG3 PRO 61 HG1 PRO 61 9.374 10.407 2.150 450 HD2 PRO 61 HD2 PRO 61 7.442 8.539 0.841 451 HD3 PRO 61 HD1 PRO 61 8.993 8.187 1.640 452 H ASP 62 HN ASP 62 5.443 10.002 5.456 453 HA ASP 62 HA ASP 62 3.175 8.645 5.068 454 HB2 ASP 62 HB2 ASP 62 3.702 9.657 7.157 455 HB3 ASP 62 HB1 ASP 62 3.499 11.269 6.488 456 H ASP 63 HN ASP 63 3.449 12.063 4.101 457 HA ASP 63 HA ASP 63 0.740 12.324 3.284 458 HB2 ASP 63 HB2 ASP 63 2.074 14.260 3.895 459 HB3 ASP 63 HB1 ASP 63 3.179 13.961 2.565 460 H VAL 64 HN VAL 64 3.458 10.969 1.689 461 HA VAL 64 HA VAL 64 2.632 11.428 -1.013 462 HB VAL 64 HB VAL 64 4.575 9.446 0.126 463 HG11 VAL 64 HG11 VAL 64 3.925 8.779 -2.149 464 HG12 VAL 64 HG12 VAL 64 5.584 9.375 -2.166 465 HG13 VAL 64 HG13 VAL 64 4.274 10.402 -2.744 466 HG21 VAL 64 HG21 VAL 64 5.066 12.172 -1.064 467 HG22 VAL 64 HG22 VAL 64 6.327 11.052 -0.538 468 HG23 VAL 64 HG23 VAL 64 5.199 11.729 0.636 469 H ALA 65 HN ALA 65 1.762 9.157 1.405 470 HA ALA 65 HA ALA 65 0.947 7.138 -0.454 471 HB1 ALA 65 HB1 ALA 65 1.622 6.544 1.834 472 HB2 ALA 65 HB2 ALA 65 0.005 5.966 1.447 473 HB3 ALA 65 HB3 ALA 65 0.208 7.385 2.467 474 H GLY 66 HN GLY 66 -0.245 10.099 0.207 475 HA2 GLY 66 HA2 GLY 66 -3.013 9.382 -0.361 476 HA3 GLY 66 HA1 GLY 66 -2.403 10.997 0.016 477 H ARG 67 HN ARG 67 -0.248 9.685 -2.070 478 HA ARG 67 HA ARG 67 -1.422 11.081 -4.354 479 HB2 ARG 67 HB2 ARG 67 1.345 9.994 -3.898 480 HB3 ARG 67 HB1 ARG 67 0.801 10.618 -5.440 481 HG2 ARG 67 HG2 ARG 67 0.376 12.794 -4.298 482 HG3 ARG 67 HG1 ARG 67 1.165 12.112 -2.869 483 HD2 ARG 67 HD2 ARG 67 2.745 13.398 -4.249 484 HD3 ARG 67 HD1 ARG 67 3.189 11.695 -4.152 485 HE ARG 67 HE ARG 67 1.555 12.213 -6.434 486 HH11 ARG 67 HH11 ARG 67 4.927 12.423 -5.323 487 HH12 ARG 67 HH12 ARG 67 5.581 12.416 -6.897 488 HH21 ARG 67 HH21 ARG 67 2.453 12.195 -8.569 489 HH22 ARG 67 HH22 ARG 67 4.133 12.278 -8.789 490 H VAL 68 HN VAL 68 -0.820 7.887 -3.225 491 HA VAL 68 HA VAL 68 -0.486 6.672 -5.739 492 HB VAL 68 HB VAL 68 -0.941 4.495 -4.554 493 HG11 VAL 68 HG11 VAL 68 1.291 5.415 -4.752 494 HG12 VAL 68 HG12 VAL 68 1.086 4.598 -3.198 495 HG13 VAL 68 HG13 VAL 68 1.042 6.362 -3.282 496 HG21 VAL 68 HG21 VAL 68 -2.476 5.346 -2.838 497 HG22 VAL 68 HG22 VAL 68 -1.136 6.261 -2.117 498 HG23 VAL 68 HG23 VAL 68 -1.094 4.497 -2.136 499 H ASP 69 HN ASP 69 -1.790 6.732 -7.230 500 HA ASP 69 HA ASP 69 -4.598 7.218 -6.961 501 HB2 ASP 69 HB2 ASP 69 -3.076 7.962 -8.871 502 HB3 ASP 69 HB1 ASP 69 -3.156 6.314 -9.437 503 H THR 70 HN THR 70 -2.660 4.432 -7.954 504 HA THR 70 HA THR 70 -5.014 2.746 -7.554 505 HB THR 70 HB THR 70 -4.149 1.277 -9.363 506 HG1 THR 70 HG1 THR 70 -2.537 2.258 -10.757 507 HG21 THR 70 HG21 THR 70 -5.819 2.977 -9.889 508 HG22 THR 70 HG22 THR 70 -4.713 2.746 -11.248 509 HG23 THR 70 HG23 THR 70 -4.537 4.155 -10.184 510 HA PRO 71 HA PRO 71 -2.591 0.406 -4.691 511 HB2 PRO 71 HB2 PRO 71 -3.586 -2.079 -5.986 512 HB3 PRO 71 HB1 PRO 71 -3.735 -1.553 -4.303 513 HG2 PRO 71 HG2 PRO 71 -5.844 -1.441 -5.895 514 HG3 PRO 71 HG1 PRO 71 -5.504 -0.100 -4.780 515 HD2 PRO 71 HD2 PRO 71 -4.926 -0.310 -7.716 516 HD3 PRO 71 HD1 PRO 71 -5.662 1.036 -6.814 517 H ARG 72 HN ARG 72 -2.347 -0.487 -8.078 518 HA ARG 72 HA ARG 72 0.049 -2.013 -7.816 519 HB2 ARG 72 HB2 ARG 72 -1.458 -2.058 -9.828 520 HB3 ARG 72 HB1 ARG 72 -0.882 -0.451 -10.240 521 HG2 ARG 72 HG2 ARG 72 1.399 -1.338 -10.467 522 HG3 ARG 72 HG1 ARG 72 0.796 -2.954 -10.088 523 HD2 ARG 72 HD2 ARG 72 0.014 -1.241 -12.444 524 HD3 ARG 72 HD1 ARG 72 1.021 -2.686 -12.489 525 HE ARG 72 HE ARG 72 -1.025 -3.853 -11.594 526 HH11 ARG 72 HH11 ARG 72 -1.101 -1.186 -13.923 527 HH12 ARG 72 HH12 ARG 72 -2.699 -1.474 -14.437 528 HH21 ARG 72 HH21 ARG 72 -3.254 -4.285 -12.347 529 HH22 ARG 72 HH22 ARG 72 -3.935 -3.233 -13.510 530 H GLU 73 HN GLU 73 -0.690 1.380 -8.210 531 HA GLU 73 HA GLU 73 1.952 2.287 -8.687 532 HB2 GLU 73 HB2 GLU 73 -0.177 3.529 -9.212 533 HB3 GLU 73 HB1 GLU 73 -0.396 3.752 -7.495 534 HG2 GLU 73 HG2 GLU 73 1.565 5.103 -7.348 535 HG3 GLU 73 HG1 GLU 73 1.954 4.789 -9.041 536 H LEU 74 HN LEU 74 -0.064 1.810 -5.862 537 HA LEU 74 HA LEU 74 1.659 2.894 -3.902 538 HB2 LEU 74 HB2 LEU 74 -0.833 2.232 -3.728 539 HB3 LEU 74 HB1 LEU 74 -0.282 0.596 -3.487 540 HG LEU 74 HG LEU 74 0.305 2.925 -1.630 541 HD11 LEU 74 HD11 LEU 74 -2.047 2.377 -1.640 542 HD12 LEU 74 HD12 LEU 74 -1.300 1.871 -0.127 543 HD13 LEU 74 HD13 LEU 74 -1.673 0.675 -1.368 544 HD21 LEU 74 HD21 LEU 74 1.024 1.224 -0.025 545 HD22 LEU 74 HD22 LEU 74 2.010 1.153 -1.490 546 HD23 LEU 74 HD23 LEU 74 0.741 -0.038 -1.223 547 H LEU 75 HN LEU 75 1.233 -0.361 -5.201 548 HA LEU 75 HA LEU 75 3.141 -1.730 -3.692 549 HB2 LEU 75 HB2 LEU 75 1.450 -2.812 -5.113 550 HB3 LEU 75 HB1 LEU 75 2.243 -2.194 -6.541 551 HG LEU 75 HG LEU 75 4.201 -3.635 -6.048 552 HD11 LEU 75 HD11 LEU 75 3.977 -3.756 -3.631 553 HD12 LEU 75 HD12 LEU 75 4.019 -5.372 -4.342 554 HD13 LEU 75 HD13 LEU 75 2.486 -4.682 -3.803 555 HD21 LEU 75 HD21 LEU 75 2.415 -4.425 -7.525 556 HD22 LEU 75 HD22 LEU 75 1.569 -5.115 -6.138 557 HD23 LEU 75 HD23 LEU 75 3.140 -5.752 -6.620 558 H ASP 76 HN ASP 76 3.436 -0.033 -6.781 559 HA ASP 76 HA ASP 76 6.106 -0.543 -7.408 560 HB2 ASP 76 HB2 ASP 76 4.605 0.534 -8.980 561 HB3 ASP 76 HB1 ASP 76 4.500 1.956 -7.948 562 H LEU 77 HN LEU 77 4.736 2.007 -5.423 563 HA LEU 77 HA LEU 77 6.989 3.531 -4.876 564 HB2 LEU 77 HB2 LEU 77 4.795 4.264 -4.244 565 HB3 LEU 77 HB1 LEU 77 4.570 2.875 -3.209 566 HG LEU 77 HG LEU 77 6.264 3.773 -1.658 567 HD11 LEU 77 HD11 LEU 77 6.280 6.165 -3.484 568 HD12 LEU 77 HD12 LEU 77 7.612 5.036 -3.220 569 HD13 LEU 77 HD13 LEU 77 7.053 6.062 -1.900 570 HD21 LEU 77 HD21 LEU 77 4.907 5.616 -0.801 571 HD22 LEU 77 HD22 LEU 77 3.906 4.254 -1.312 572 HD23 LEU 77 HD23 LEU 77 4.036 5.687 -2.333 573 H ILE 78 HN ILE 78 5.744 0.712 -3.172 574 HA ILE 78 HA ILE 78 7.905 0.747 -1.297 575 HB ILE 78 HB ILE 78 5.854 -1.456 -1.735 576 HG12 ILE 78 HG12 ILE 78 5.844 0.926 0.134 577 HG13 ILE 78 HG11 ILE 78 4.819 0.725 -1.278 578 HG21 ILE 78 HG21 ILE 78 7.841 -2.173 -0.443 579 HG22 ILE 78 HG22 ILE 78 6.408 -2.088 0.579 580 HG23 ILE 78 HG23 ILE 78 7.615 -0.804 0.649 581 HD11 ILE 78 HD11 ILE 78 4.781 -0.955 1.210 582 HD12 ILE 78 HD12 ILE 78 3.748 -1.191 -0.202 583 HD13 ILE 78 HD13 ILE 78 3.608 0.282 0.762 584 H ASN 79 HN ASN 79 7.184 -0.971 -4.266 585 HA ASN 79 HA ASN 79 9.277 -2.866 -4.230 586 HB2 ASN 79 HB2 ASN 79 8.012 -1.378 -6.555 587 HB3 ASN 79 HB1 ASN 79 9.285 -2.556 -6.793 588 HD21 ASN 79 HD21 ASN 79 8.311 -4.463 -4.837 589 HD22 ASN 79 HD22 ASN 79 6.868 -5.132 -5.531 590 H GLY 80 HN GLY 80 9.190 0.472 -5.397 591 HA2 GLY 80 HA2 GLY 80 11.855 0.695 -6.227 592 HA3 GLY 80 HA1 GLY 80 10.817 2.029 -5.735 593 H ALA 81 HN ALA 81 10.351 1.475 -3.118 594 HA ALA 81 HA ALA 81 12.650 2.403 -1.815 595 HB1 ALA 81 HB1 ALA 81 11.425 2.003 0.262 596 HB2 ALA 81 HB2 ALA 81 10.255 1.008 -0.604 597 HB3 ALA 81 HB3 ALA 81 10.376 2.734 -0.950 598 H LEU 82 HN LEU 82 11.369 -0.851 -2.206 599 HA LEU 82 HA LEU 82 13.275 -2.144 -0.547 600 HB2 LEU 82 HB2 LEU 82 11.510 -3.203 -2.739 601 HB3 LEU 82 HB1 LEU 82 12.562 -4.223 -1.773 602 HG LEU 82 HG LEU 82 10.297 -2.546 -0.700 603 HD11 LEU 82 HD11 LEU 82 9.518 -4.437 -2.021 604 HD12 LEU 82 HD12 LEU 82 9.211 -4.686 -0.303 605 HD13 LEU 82 HD13 LEU 82 10.559 -5.515 -1.090 606 HD21 LEU 82 HD21 LEU 82 12.112 -4.540 0.610 607 HD22 LEU 82 HD22 LEU 82 10.720 -3.740 1.358 608 HD23 LEU 82 HD23 LEU 82 12.123 -2.789 0.857 609 H ALA 83 HN ALA 83 13.192 -1.324 -3.930 610 HA ALA 83 HA ALA 83 15.498 -2.777 -4.682 611 HB1 ALA 83 HB1 ALA 83 15.539 -1.337 -6.668 612 HB2 ALA 83 HB2 ALA 83 14.365 -0.257 -5.912 613 HB3 ALA 83 HB3 ALA 83 13.899 -1.903 -6.336 614 H GLU 84 HN GLU 84 14.977 0.358 -3.260 615 HA GLU 84 HA GLU 84 17.757 1.124 -3.422 616 HB2 GLU 84 HB2 GLU 84 15.469 2.388 -1.888 617 HB3 GLU 84 HB1 GLU 84 17.061 3.101 -2.121 618 HG2 GLU 84 HG2 GLU 84 16.659 3.131 -4.548 619 HG3 GLU 84 HG1 GLU 84 15.050 2.475 -4.269 620 H ALA 85 HN ALA 85 16.081 -0.997 -1.556 621 HA ALA 85 HA ALA 85 17.772 -0.627 0.813 622 HB1 ALA 85 HB1 ALA 85 16.167 -2.087 1.967 623 HB2 ALA 85 HB2 ALA 85 15.266 -2.286 0.462 624 HB3 ALA 85 HB3 ALA 85 15.350 -0.706 1.233 625 H ALA 86 HN ALA 86 18.194 -1.947 -1.946 626 HA ALA 86 HA ALA 86 19.237 -4.492 -0.938 627 HB1 ALA 86 HB1 ALA 86 17.452 -4.819 -2.592 628 HB2 ALA 86 HB2 ALA 86 19.008 -5.353 -3.227 629 HB3 ALA 86 HB3 ALA 86 18.330 -3.806 -3.741 630 H28 SXV 87 H28A SXV 87 -5.884 13.193 4.405 631 H28A SXV 87 H28B SXV 87 -4.643 11.998 4.044 632 H30 SXV 87 H30C SXV 87 -3.185 12.847 5.705 633 H30A SXV 87 H30A SXV 87 -4.435 14.006 6.159 634 H30B SXV 87 H30B SXV 87 -2.800 14.567 5.818 635 H31 SXV 87 H31C SXV 87 -1.932 14.516 3.463 636 H31A SXV 87 H31A SXV 87 -2.923 13.769 2.207 637 H31B SXV 87 H31B SXV 87 -2.270 12.788 3.515 638 H32 SXV 87 H32A SXV 87 -3.681 16.223 4.149 639 HO33 SXV 87 H33A SXV 87 -6.360 15.576 4.184 640 HN36 SXV 87 H36A SXV 87 -3.109 15.795 1.712 641 H37 SXV 87 H37B SXV 87 -5.452 16.183 -0.049 642 H37A SXV 87 H37A SXV 87 -3.938 15.402 -0.516 643 H38 SXV 87 H38B SXV 87 -3.888 17.528 -1.478 644 H38A SXV 87 H38A SXV 87 -2.738 17.557 -0.174 645 HN41 SXV 87 H41A SXV 87 -3.321 19.935 -0.900 646 H42 SXV 87 H42B SXV 87 -4.051 21.579 0.955 647 H42A SXV 87 H42A SXV 87 -5.656 21.019 0.504 648 H43 SXV 87 H43B SXV 87 -5.331 21.819 -1.727 649 H43A SXV 87 H43A SXV 87 -4.983 23.125 -0.600 650 H1 SXV 87 H1B SXV 87 -4.161 23.105 -3.654 651 H1A SXV 87 H1A SXV 87 -3.779 24.451 -2.559 652 H2 SXV 87 H2A SXV 87 -1.780 23.068 -4.287 653 H2A SXV 87 H2B SXV 87 -1.462 24.373 -3.144 654 H4 SXV 87 H4C SXV 87 -4.034 26.124 -3.945 655 H4A SXV 87 H4A SXV 87 -3.243 26.923 -5.307 656 H4B SXV 87 H4B SXV 87 -2.401 26.776 -3.759 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 20.399 -8.851 -3.969 2 H2 MET 1 HT2 MET 1 20.660 -7.351 -4.685 3 H3 MET 1 HT3 MET 1 21.130 -8.757 -5.510 4 HA MET 1 HA MET 1 19.098 -7.765 -6.366 5 HB2 MET 1 HB2 MET 1 18.648 -10.345 -4.846 6 HB3 MET 1 HB1 MET 1 17.483 -9.673 -5.972 7 HG2 MET 1 HG2 MET 1 19.197 -9.842 -7.756 8 HG3 MET 1 HG1 MET 1 20.259 -10.646 -6.595 9 HE1 MET 1 HE1 MET 1 20.490 -12.716 -8.269 10 HE2 MET 1 HE2 MET 1 19.421 -11.911 -9.416 11 HE3 MET 1 HE3 MET 1 19.109 -13.582 -8.940 12 H ALA 2 HN ALA 2 16.824 -7.323 -5.971 13 HA ALA 2 HA ALA 2 16.622 -5.848 -3.488 14 HB1 ALA 2 HB1 ALA 2 16.093 -4.736 -5.597 15 HB2 ALA 2 HB2 ALA 2 14.684 -4.811 -4.544 16 HB3 ALA 2 HB3 ALA 2 14.828 -5.924 -5.908 17 H THR 3 HN THR 3 15.091 -6.244 -1.929 18 HA THR 3 HA THR 3 13.790 -8.850 -1.950 19 HB THR 3 HB THR 3 13.678 -6.669 0.054 20 HG1 THR 3 HG1 THR 3 15.791 -8.281 -0.694 21 HG21 THR 3 HG21 THR 3 13.450 -9.673 0.328 22 HG22 THR 3 HG22 THR 3 12.127 -8.510 0.440 23 HG23 THR 3 HG23 THR 3 13.385 -8.537 1.676 24 H LEU 4 HN LEU 4 11.881 -8.740 -3.174 25 HA LEU 4 HA LEU 4 10.319 -6.279 -2.866 26 HB2 LEU 4 HB2 LEU 4 10.272 -8.270 -5.129 27 HB3 LEU 4 HB1 LEU 4 9.320 -6.803 -5.026 28 HG LEU 4 HG LEU 4 12.325 -6.954 -5.284 29 HD11 LEU 4 HD11 LEU 4 11.953 -5.996 -7.495 30 HD12 LEU 4 HD12 LEU 4 10.210 -6.098 -7.244 31 HD13 LEU 4 HD13 LEU 4 11.177 -7.572 -7.325 32 HD21 LEU 4 HD21 LEU 4 11.646 -5.012 -3.971 33 HD22 LEU 4 HD22 LEU 4 10.494 -4.556 -5.225 34 HD23 LEU 4 HD23 LEU 4 12.225 -4.521 -5.563 35 H LEU 5 HN LEU 5 8.215 -6.397 -2.333 36 HA LEU 5 HA LEU 5 7.243 -9.000 -1.522 37 HB2 LEU 5 HB2 LEU 5 5.485 -7.745 -0.271 38 HB3 LEU 5 HB1 LEU 5 7.106 -7.388 0.251 39 HG LEU 5 HG LEU 5 6.924 -5.221 -1.097 40 HD11 LEU 5 HD11 LEU 5 4.003 -5.933 -1.072 41 HD12 LEU 5 HD12 LEU 5 5.031 -5.804 -2.500 42 HD13 LEU 5 HD13 LEU 5 4.689 -4.374 -1.529 43 HD21 LEU 5 HD21 LEU 5 5.063 -5.666 1.209 44 HD22 LEU 5 HD22 LEU 5 5.655 -4.095 0.652 45 HD23 LEU 5 HD23 LEU 5 6.780 -5.286 1.310 46 H THR 6 HN THR 6 5.091 -9.664 -2.119 47 HA THR 6 HA THR 6 4.603 -8.884 -4.854 48 HB THR 6 HB THR 6 3.163 -10.961 -4.843 49 HG1 THR 6 HG1 THR 6 4.258 -12.194 -2.774 50 HG21 THR 6 HG21 THR 6 5.104 -12.476 -4.861 51 HG22 THR 6 HG22 THR 6 6.066 -11.241 -4.044 52 HG23 THR 6 HG23 THR 6 5.469 -10.957 -5.680 53 H THR 7 HN THR 7 2.051 -9.317 -5.392 54 HA THR 7 HA THR 7 0.732 -7.134 -4.195 55 HB THR 7 HB THR 7 -0.525 -9.281 -5.925 56 HG1 THR 7 HG1 THR 7 0.111 -7.915 -7.639 57 HG21 THR 7 HG21 THR 7 -1.965 -7.419 -6.651 58 HG22 THR 7 HG22 THR 7 -1.103 -6.327 -5.564 59 HG23 THR 7 HG23 THR 7 -2.072 -7.642 -4.904 60 H ASP 8 HN ASP 8 0.465 -10.670 -3.828 61 HA ASP 8 HA ASP 8 -1.711 -10.546 -2.006 62 HB2 ASP 8 HB2 ASP 8 0.162 -12.676 -2.850 63 HB3 ASP 8 HB1 ASP 8 -0.533 -12.865 -1.247 64 H ASP 9 HN ASP 9 1.602 -9.907 -1.628 65 HA ASP 9 HA ASP 9 1.585 -10.245 1.234 66 HB2 ASP 9 HB2 ASP 9 3.707 -10.361 -0.169 67 HB3 ASP 9 HB1 ASP 9 3.556 -8.626 -0.404 68 H LEU 10 HN LEU 10 1.421 -7.602 -1.077 69 HA LEU 10 HA LEU 10 1.022 -5.484 0.714 70 HB2 LEU 10 HB2 LEU 10 1.525 -5.190 -1.680 71 HB3 LEU 10 HB1 LEU 10 -0.050 -5.834 -2.094 72 HG LEU 10 HG LEU 10 -1.104 -3.892 -0.965 73 HD11 LEU 10 HD11 LEU 10 0.270 -1.959 -0.384 74 HD12 LEU 10 HD12 LEU 10 1.725 -2.898 -0.714 75 HD13 LEU 10 HD13 LEU 10 0.659 -3.362 0.612 76 HD21 LEU 10 HD21 LEU 10 0.884 -3.209 -3.129 77 HD22 LEU 10 HD22 LEU 10 -0.532 -2.252 -2.695 78 HD23 LEU 10 HD23 LEU 10 -0.733 -3.867 -3.372 79 H ARG 11 HN ARG 11 -1.198 -7.717 -0.808 80 HA ARG 11 HA ARG 11 -3.706 -6.892 -0.042 81 HB2 ARG 11 HB2 ARG 11 -3.352 -8.835 -1.427 82 HB3 ARG 11 HB1 ARG 11 -2.498 -9.648 -0.137 83 HG2 ARG 11 HG2 ARG 11 -4.619 -9.727 1.145 84 HG3 ARG 11 HG1 ARG 11 -5.442 -9.051 -0.274 85 HD2 ARG 11 HD2 ARG 11 -4.691 -10.918 -1.622 86 HD3 ARG 11 HD1 ARG 11 -3.802 -11.572 -0.251 87 HE ARG 11 HE ARG 11 -6.373 -11.379 0.616 88 HH11 ARG 11 HH11 ARG 11 -4.677 -13.085 -1.981 89 HH12 ARG 11 HH12 ARG 11 -5.845 -14.292 -2.187 90 HH21 ARG 11 HH21 ARG 11 -7.933 -13.068 0.456 91 HH22 ARG 11 HH22 ARG 11 -7.769 -14.306 -0.732 92 H ARG 12 HN ARG 12 -1.612 -9.091 1.779 93 HA ARG 12 HA ARG 12 -3.283 -9.215 4.047 94 HB2 ARG 12 HB2 ARG 12 -0.406 -9.948 3.616 95 HB3 ARG 12 HB1 ARG 12 -1.259 -10.239 5.129 96 HG2 ARG 12 HG2 ARG 12 -2.799 -11.713 4.061 97 HG3 ARG 12 HG1 ARG 12 -2.169 -11.289 2.466 98 HD2 ARG 12 HD2 ARG 12 -0.518 -12.565 4.625 99 HD3 ARG 12 HD1 ARG 12 -1.383 -13.480 3.391 100 HE ARG 12 HE ARG 12 -0.044 -12.336 1.740 101 HH11 ARG 12 HH11 ARG 12 1.155 -12.000 5.058 102 HH12 ARG 12 HH12 ARG 12 2.797 -12.120 4.635 103 HH21 ARG 12 HH21 ARG 12 2.285 -12.451 1.140 104 HH22 ARG 12 HH22 ARG 12 3.427 -12.257 2.382 105 H ALA 13 HN ALA 13 -0.507 -7.253 3.241 106 HA ALA 13 HA ALA 13 -0.126 -6.025 5.746 107 HB1 ALA 13 HB1 ALA 13 1.104 -4.338 4.500 108 HB2 ALA 13 HB2 ALA 13 0.445 -4.961 2.991 109 HB3 ALA 13 HB3 ALA 13 1.531 -5.962 3.960 110 H LEU 14 HN LEU 14 -2.174 -5.255 3.000 111 HA LEU 14 HA LEU 14 -3.031 -2.733 3.904 112 HB2 LEU 14 HB2 LEU 14 -3.177 -3.602 1.558 113 HB3 LEU 14 HB1 LEU 14 -4.471 -4.659 2.069 114 HG LEU 14 HG LEU 14 -5.835 -2.652 2.636 115 HD11 LEU 14 HD11 LEU 14 -4.017 -1.077 3.027 116 HD12 LEU 14 HD12 LEU 14 -5.127 -0.474 1.799 117 HD13 LEU 14 HD13 LEU 14 -3.571 -1.156 1.323 118 HD21 LEU 14 HD21 LEU 14 -6.313 -2.036 0.323 119 HD22 LEU 14 HD22 LEU 14 -6.085 -3.774 0.488 120 HD23 LEU 14 HD23 LEU 14 -4.798 -2.778 -0.190 121 H VAL 15 HN VAL 15 -4.019 -5.986 4.616 122 HA VAL 15 HA VAL 15 -6.483 -5.198 5.848 123 HB VAL 15 HB VAL 15 -5.020 -7.856 6.135 124 HG11 VAL 15 HG11 VAL 15 -7.189 -8.794 6.766 125 HG12 VAL 15 HG12 VAL 15 -7.911 -7.188 6.682 126 HG13 VAL 15 HG13 VAL 15 -6.679 -7.537 7.894 127 HG21 VAL 15 HG21 VAL 15 -7.213 -7.069 4.221 128 HG22 VAL 15 HG22 VAL 15 -6.556 -8.693 4.416 129 HG23 VAL 15 HG23 VAL 15 -5.530 -7.394 3.807 130 H GLU 16 HN GLU 16 -3.245 -5.128 6.818 131 HA GLU 16 HA GLU 16 -3.545 -5.527 9.599 132 HB2 GLU 16 HB2 GLU 16 -1.351 -4.130 8.057 133 HB3 GLU 16 HB1 GLU 16 -1.337 -4.378 9.796 134 HG2 GLU 16 HG2 GLU 16 -1.472 -6.564 7.734 135 HG3 GLU 16 HG1 GLU 16 -0.050 -6.059 8.653 136 H SER 17 HN SER 17 -3.719 -2.669 7.576 137 HA SER 17 HA SER 17 -3.711 -0.775 9.643 138 HB2 SER 17 HB2 SER 17 -5.016 -0.479 6.947 139 HB3 SER 17 HB1 SER 17 -4.255 0.761 7.944 140 HG SER 17 HG SER 17 -3.046 -0.209 6.106 141 H ALA 18 HN ALA 18 -6.415 -1.983 7.648 142 HA ALA 18 HA ALA 18 -8.411 -0.685 9.157 143 HB1 ALA 18 HB1 ALA 18 -8.716 -3.011 7.274 144 HB2 ALA 18 HB2 ALA 18 -8.685 -1.310 6.807 145 HB3 ALA 18 HB3 ALA 18 -9.994 -1.923 7.817 146 H GLY 19 HN GLY 19 -7.328 -4.074 9.127 147 HA2 GLY 19 HA2 GLY 19 -7.403 -5.331 11.179 148 HA3 GLY 19 HA1 GLY 19 -8.880 -4.458 11.594 149 H GLU 20 HN GLU 20 -10.743 -4.753 10.113 150 HA GLU 20 HA GLU 20 -10.651 -7.421 8.903 151 HB2 GLU 20 HB2 GLU 20 -13.043 -6.059 10.122 152 HB3 GLU 20 HB1 GLU 20 -13.077 -7.582 9.261 153 HG2 GLU 20 HG2 GLU 20 -11.461 -8.427 11.025 154 HG3 GLU 20 HG1 GLU 20 -11.882 -6.968 11.932 155 H THR 21 HN THR 21 -11.107 -7.586 6.857 156 HA THR 21 HA THR 21 -12.240 -5.281 5.501 157 HB THR 21 HB THR 21 -11.210 -6.497 3.472 158 HG1 THR 21 HG1 THR 21 -9.974 -8.132 3.822 159 HG21 THR 21 HG21 THR 21 -8.980 -5.536 3.907 160 HG22 THR 21 HG22 THR 21 -9.385 -5.382 5.619 161 HG23 THR 21 HG23 THR 21 -10.260 -4.436 4.417 162 H ASP 22 HN ASP 22 -14.264 -6.250 6.479 163 HA ASP 22 HA ASP 22 -15.169 -8.785 5.474 164 HB2 ASP 22 HB2 ASP 22 -17.237 -8.385 6.703 165 HB3 ASP 22 HB1 ASP 22 -15.856 -8.012 7.723 166 H GLY 23 HN GLY 23 -15.543 -5.463 4.598 167 HA2 GLY 23 HA2 GLY 23 -17.376 -6.279 2.442 168 HA3 GLY 23 HA1 GLY 23 -17.357 -4.671 3.172 169 H THR 24 HN THR 24 -14.812 -6.809 2.145 170 HA THR 24 HA THR 24 -13.991 -4.959 0.088 171 HB THR 24 HB THR 24 -12.205 -5.664 2.436 172 HG1 THR 24 HG1 THR 24 -13.952 -3.661 1.973 173 HG21 THR 24 HG21 THR 24 -10.969 -5.451 0.309 174 HG22 THR 24 HG22 THR 24 -10.602 -4.111 1.398 175 HG23 THR 24 HG23 THR 24 -11.705 -3.870 0.047 176 H ASP 25 HN ASP 25 -14.537 -6.822 -1.194 177 HA ASP 25 HA ASP 25 -12.931 -9.198 -0.945 178 HB2 ASP 25 HB2 ASP 25 -15.128 -9.257 -2.143 179 HB3 ASP 25 HB1 ASP 25 -14.468 -8.180 -3.368 180 H LEU 26 HN LEU 26 -10.908 -8.586 -0.821 181 HA LEU 26 HA LEU 26 -9.796 -6.597 -2.590 182 HB2 LEU 26 HB2 LEU 26 -9.330 -6.756 -0.124 183 HB3 LEU 26 HB1 LEU 26 -8.462 -8.240 -0.437 184 HG LEU 26 HG LEU 26 -6.820 -6.983 -1.777 185 HD11 LEU 26 HD11 LEU 26 -6.882 -4.539 -1.747 186 HD12 LEU 26 HD12 LEU 26 -8.429 -4.585 -0.897 187 HD13 LEU 26 HD13 LEU 26 -8.308 -5.201 -2.545 188 HD21 LEU 26 HD21 LEU 26 -6.475 -7.332 0.641 189 HD22 LEU 26 HD22 LEU 26 -7.299 -5.800 0.963 190 HD23 LEU 26 HD23 LEU 26 -5.776 -5.814 0.081 191 H SER 27 HN SER 27 -9.247 -9.969 -1.737 192 HA SER 27 HA SER 27 -8.546 -11.771 -2.872 193 HB2 SER 27 HB2 SER 27 -10.222 -11.004 -4.581 194 HB3 SER 27 HB1 SER 27 -8.945 -10.098 -5.381 195 HG SER 27 HG SER 27 -9.644 -12.403 -5.981 196 H GLY 28 HN GLY 28 -6.833 -12.268 -4.879 197 HA2 GLY 28 HA2 GLY 28 -4.354 -11.370 -3.721 198 HA3 GLY 28 HA1 GLY 28 -4.544 -12.561 -4.996 199 H ASP 29 HN ASP 29 -6.277 -10.413 -6.389 200 HA ASP 29 HA ASP 29 -4.071 -8.703 -7.238 201 HB2 ASP 29 HB2 ASP 29 -4.240 -10.479 -8.937 202 HB3 ASP 29 HB1 ASP 29 -5.952 -10.120 -9.146 203 H PHE 30 HN PHE 30 -4.584 -6.782 -6.862 204 HA PHE 30 HA PHE 30 -7.228 -5.714 -7.498 205 HB2 PHE 30 HB2 PHE 30 -7.350 -4.618 -5.271 206 HB3 PHE 30 HB1 PHE 30 -7.378 -6.370 -5.131 207 HD1 PHE 30 HD2 PHE 30 -5.323 -7.562 -4.321 208 HD2 PHE 30 HD1 PHE 30 -5.631 -3.317 -4.266 209 HE1 PHE 30 HE2 PHE 30 -3.447 -7.448 -2.736 210 HE2 PHE 30 HE1 PHE 30 -3.759 -3.203 -2.686 211 HZ PHE 30 HZ PHE 30 -2.694 -5.260 -1.885 212 H LEU 31 HN LEU 31 -4.436 -5.557 -8.573 213 HA LEU 31 HA LEU 31 -3.098 -3.361 -7.530 214 HB2 LEU 31 HB2 LEU 31 -2.275 -5.487 -8.681 215 HB3 LEU 31 HB1 LEU 31 -2.754 -4.693 -10.174 216 HG LEU 31 HG LEU 31 -1.399 -2.873 -9.634 217 HD11 LEU 31 HD11 LEU 31 -1.226 -3.119 -7.216 218 HD12 LEU 31 HD12 LEU 31 0.405 -3.175 -7.886 219 HD13 LEU 31 HD13 LEU 31 -0.400 -4.667 -7.401 220 HD21 LEU 31 HD21 LEU 31 0.020 -5.527 -9.833 221 HD22 LEU 31 HD22 LEU 31 0.771 -3.974 -10.201 222 HD23 LEU 31 HD23 LEU 31 -0.589 -4.548 -11.168 223 H ASP 32 HN ASP 32 -5.548 -3.822 -9.946 224 HA ASP 32 HA ASP 32 -4.911 -1.298 -11.292 225 HB2 ASP 32 HB2 ASP 32 -5.272 -3.293 -12.662 226 HB3 ASP 32 HB1 ASP 32 -6.887 -3.465 -11.994 227 H LEU 33 HN LEU 33 -7.093 -2.440 -8.912 228 HA LEU 33 HA LEU 33 -9.268 -0.791 -9.799 229 HB2 LEU 33 HB2 LEU 33 -10.511 -1.659 -7.807 230 HB3 LEU 33 HB1 LEU 33 -10.006 -2.848 -8.980 231 HG LEU 33 HG LEU 33 -8.133 -3.473 -7.417 232 HD11 LEU 33 HD11 LEU 33 -8.015 -1.438 -6.088 233 HD12 LEU 33 HD12 LEU 33 -8.307 -2.850 -5.072 234 HD13 LEU 33 HD13 LEU 33 -9.632 -1.750 -5.452 235 HD21 LEU 33 HD21 LEU 33 -10.161 -4.787 -7.587 236 HD22 LEU 33 HD22 LEU 33 -10.947 -3.753 -6.392 237 HD23 LEU 33 HD23 LEU 33 -9.573 -4.758 -5.927 238 H ARG 34 HN ARG 34 -10.549 0.350 -7.954 239 HA ARG 34 HA ARG 34 -8.854 2.553 -7.109 240 HB2 ARG 34 HB2 ARG 34 -11.827 2.129 -7.173 241 HB3 ARG 34 HB1 ARG 34 -11.087 3.530 -6.422 242 HG2 ARG 34 HG2 ARG 34 -10.769 2.750 -9.303 243 HG3 ARG 34 HG1 ARG 34 -11.901 3.961 -8.690 244 HD2 ARG 34 HD2 ARG 34 -9.977 5.182 -7.719 245 HD3 ARG 34 HD1 ARG 34 -8.901 4.018 -8.485 246 HE ARG 34 HE ARG 34 -10.499 4.960 -10.473 247 HH11 ARG 34 HH11 ARG 34 -8.187 6.372 -8.167 248 HH12 ARG 34 HH12 ARG 34 -7.658 7.580 -9.230 249 HH21 ARG 34 HH21 ARG 34 -9.921 6.788 -11.849 250 HH22 ARG 34 HH22 ARG 34 -8.743 7.912 -11.306 251 H PHE 35 HN PHE 35 -8.749 3.325 -5.018 252 HA PHE 35 HA PHE 35 -8.905 1.402 -2.925 253 HB2 PHE 35 HB2 PHE 35 -8.400 4.390 -2.866 254 HB3 PHE 35 HB1 PHE 35 -8.269 3.335 -1.463 255 HD1 PHE 35 HD2 PHE 35 -6.612 1.394 -1.628 256 HD2 PHE 35 HD1 PHE 35 -6.539 4.754 -4.257 257 HE1 PHE 35 HE2 PHE 35 -4.276 0.899 -2.205 258 HE2 PHE 35 HE1 PHE 35 -4.221 4.254 -4.826 259 HZ PHE 35 HZ PHE 35 -3.078 2.335 -3.802 260 H GLU 36 HN GLU 36 -10.888 3.856 -4.218 261 HA GLU 36 HA GLU 36 -12.794 4.414 -2.316 262 HB2 GLU 36 HB2 GLU 36 -12.601 5.403 -4.588 263 HB3 GLU 36 HB1 GLU 36 -13.245 3.917 -5.261 264 HG2 GLU 36 HG2 GLU 36 -14.962 5.593 -5.153 265 HG3 GLU 36 HG1 GLU 36 -15.330 4.295 -4.016 266 H ASP 37 HN ASP 37 -12.547 1.611 -4.451 267 HA ASP 37 HA ASP 37 -15.107 0.573 -3.711 268 HB2 ASP 37 HB2 ASP 37 -14.094 0.097 -5.911 269 HB3 ASP 37 HB1 ASP 37 -12.832 -0.837 -5.113 270 H ILE 38 HN ILE 38 -11.852 0.156 -2.598 271 HA ILE 38 HA ILE 38 -12.674 -2.114 -0.979 272 HB ILE 38 HB ILE 38 -10.283 -2.468 -0.472 273 HG12 ILE 38 HG12 ILE 38 -9.837 -0.181 -2.419 274 HG13 ILE 38 HG11 ILE 38 -9.540 -0.112 -0.686 275 HG21 ILE 38 HG21 ILE 38 -10.984 -2.234 -3.388 276 HG22 ILE 38 HG22 ILE 38 -11.342 -3.602 -2.332 277 HG23 ILE 38 HG23 ILE 38 -9.664 -3.213 -2.737 278 HD11 ILE 38 HD11 ILE 38 -7.473 -0.391 -1.937 279 HD12 ILE 38 HD12 ILE 38 -8.096 -1.872 -2.664 280 HD13 ILE 38 HD13 ILE 38 -7.789 -1.803 -0.929 281 H GLY 39 HN GLY 39 -13.133 0.856 -0.529 282 HA2 GLY 39 HA2 GLY 39 -13.584 2.138 1.325 283 HA3 GLY 39 HA1 GLY 39 -13.327 0.687 2.280 284 H TYR 40 HN TYR 40 -11.030 2.437 0.220 285 HA TYR 40 HA TYR 40 -9.560 3.084 2.635 286 HB2 TYR 40 HB2 TYR 40 -8.609 1.564 0.288 287 HB3 TYR 40 HB1 TYR 40 -7.508 2.792 0.912 288 HD1 TYR 40 HD1 TYR 40 -6.738 2.689 3.195 289 HD2 TYR 40 HD2 TYR 40 -9.023 -0.482 1.544 290 HE1 TYR 40 HE1 TYR 40 -6.051 1.270 5.041 291 HE2 TYR 40 HE2 TYR 40 -8.329 -1.949 3.411 292 HH TYR 40 HH TYR 40 -6.355 -2.000 5.086 293 H ASP 41 HN ASP 41 -8.500 4.960 2.740 294 HA ASP 41 HA ASP 41 -8.665 6.779 0.474 295 HB2 ASP 41 HB2 ASP 41 -10.601 7.212 2.082 296 HB3 ASP 41 HB1 ASP 41 -9.386 7.517 3.322 297 H SER 42 HN SER 42 -7.326 8.918 1.578 298 HA SER 42 HA SER 42 -4.722 7.892 1.295 299 HB2 SER 42 HB2 SER 42 -4.062 10.268 1.679 300 HB3 SER 42 HB1 SER 42 -5.215 10.008 0.365 301 H LEU 43 HN LEU 43 -6.551 9.018 4.004 302 HA LEU 43 HA LEU 43 -4.523 9.202 5.913 303 HB2 LEU 43 HB2 LEU 43 -7.403 8.397 6.221 304 HB3 LEU 43 HB1 LEU 43 -6.337 8.748 7.562 305 HG LEU 43 HG LEU 43 -7.185 10.708 5.425 306 HD11 LEU 43 HD11 LEU 43 -7.972 10.474 8.321 307 HD12 LEU 43 HD12 LEU 43 -8.999 10.121 6.932 308 HD13 LEU 43 HD13 LEU 43 -8.445 11.770 7.223 309 HD21 LEU 43 HD21 LEU 43 -4.940 11.176 6.276 310 HD22 LEU 43 HD22 LEU 43 -5.551 11.123 7.930 311 HD23 LEU 43 HD23 LEU 43 -6.098 12.387 6.828 312 H ALA 44 HN ALA 44 -6.681 6.466 5.229 313 HA ALA 44 HA ALA 44 -5.291 4.664 6.905 314 HB1 ALA 44 HB1 ALA 44 -7.654 4.417 6.278 315 HB2 ALA 44 HB2 ALA 44 -6.705 2.970 5.940 316 HB3 ALA 44 HB3 ALA 44 -7.152 4.054 4.625 317 H LEU 45 HN LEU 45 -4.837 5.654 3.625 318 HA LEU 45 HA LEU 45 -3.191 3.469 2.869 319 HB2 LEU 45 HB2 LEU 45 -3.401 6.250 1.747 320 HB3 LEU 45 HB1 LEU 45 -2.391 5.002 1.045 321 HG LEU 45 HG LEU 45 -5.389 4.885 1.322 322 HD11 LEU 45 HD11 LEU 45 -5.397 5.065 -1.108 323 HD12 LEU 45 HD12 LEU 45 -3.643 5.274 -1.097 324 HD13 LEU 45 HD13 LEU 45 -4.685 6.490 -0.351 325 HD21 LEU 45 HD21 LEU 45 -4.363 2.686 1.502 326 HD22 LEU 45 HD22 LEU 45 -3.450 2.984 0.020 327 HD23 LEU 45 HD23 LEU 45 -5.207 2.859 -0.038 328 H MET 46 HN MET 46 -2.490 6.669 4.181 329 HA MET 46 HA MET 46 0.321 6.329 4.260 330 HB2 MET 46 HB2 MET 46 -1.451 8.041 6.029 331 HB3 MET 46 HB1 MET 46 0.303 8.126 6.002 332 HG2 MET 46 HG2 MET 46 0.247 8.842 3.663 333 HG3 MET 46 HG1 MET 46 -1.518 8.695 3.688 334 HE1 MET 46 HE1 MET 46 -3.111 10.302 5.077 335 HE2 MET 46 HE2 MET 46 -2.521 11.563 6.155 336 HE3 MET 46 HE3 MET 46 -2.245 9.866 6.547 337 H GLU 47 HN GLU 47 -2.259 5.552 6.457 338 HA GLU 47 HA GLU 47 -0.811 4.581 8.627 339 HB2 GLU 47 HB2 GLU 47 -3.226 5.006 8.632 340 HB3 GLU 47 HB1 GLU 47 -3.471 3.703 7.497 341 HG2 GLU 47 HG2 GLU 47 -2.909 2.052 9.111 342 HG3 GLU 47 HG1 GLU 47 -2.349 3.278 10.253 343 H THR 48 HN THR 48 -2.017 2.860 5.761 344 HA THR 48 HA THR 48 -0.933 0.335 6.308 345 HB THR 48 HB THR 48 -1.416 1.585 3.579 346 HG1 THR 48 HG1 THR 48 -3.338 1.637 4.757 347 HG21 THR 48 HG21 THR 48 -1.709 -0.759 2.831 348 HG22 THR 48 HG22 THR 48 -1.294 -1.329 4.445 349 HG23 THR 48 HG23 THR 48 -0.089 -0.497 3.471 350 H ALA 49 HN ALA 49 0.422 3.075 4.487 351 HA ALA 49 HA ALA 49 2.831 1.933 3.688 352 HB1 ALA 49 HB1 ALA 49 2.319 4.799 4.496 353 HB2 ALA 49 HB2 ALA 49 2.032 4.117 2.895 354 HB3 ALA 49 HB3 ALA 49 3.675 4.231 3.521 355 H ALA 50 HN ALA 50 2.002 3.642 6.669 356 HA ALA 50 HA ALA 50 4.480 3.600 7.942 357 HB1 ALA 50 HB1 ALA 50 2.569 4.915 8.715 358 HB2 ALA 50 HB2 ALA 50 3.221 3.909 10.009 359 HB3 ALA 50 HB3 ALA 50 1.733 3.435 9.186 360 H ARG 51 HN ARG 51 1.887 1.227 7.901 361 HA ARG 51 HA ARG 51 2.858 -0.626 9.777 362 HB2 ARG 51 HB2 ARG 51 1.314 -1.242 7.239 363 HB3 ARG 51 HB1 ARG 51 1.482 -2.308 8.620 364 HG2 ARG 51 HG2 ARG 51 0.106 0.374 8.702 365 HG3 ARG 51 HG1 ARG 51 -0.720 -1.159 8.442 366 HD2 ARG 51 HD2 ARG 51 -0.918 -0.469 10.754 367 HD3 ARG 51 HD1 ARG 51 0.054 -1.929 10.638 368 HE ARG 51 HE ARG 51 1.512 0.560 10.711 369 HH11 ARG 51 HH11 ARG 51 0.138 -2.080 12.657 370 HH12 ARG 51 HH12 ARG 51 1.239 -1.886 13.947 371 HH21 ARG 51 HH21 ARG 51 3.010 0.846 12.503 372 HH22 ARG 51 HH22 ARG 51 2.878 -0.146 13.874 373 H LEU 52 HN LEU 52 3.313 -0.472 6.303 374 HA LEU 52 HA LEU 52 5.091 -2.664 6.279 375 HB2 LEU 52 HB2 LEU 52 4.384 -0.680 4.150 376 HB3 LEU 52 HB1 LEU 52 5.565 -1.956 3.897 377 HG LEU 52 HG LEU 52 2.686 -2.406 4.684 378 HD11 LEU 52 HD11 LEU 52 2.885 -1.622 2.386 379 HD12 LEU 52 HD12 LEU 52 2.432 -3.323 2.446 380 HD13 LEU 52 HD13 LEU 52 4.091 -2.865 2.059 381 HD21 LEU 52 HD21 LEU 52 4.192 -4.084 5.575 382 HD22 LEU 52 HD22 LEU 52 4.886 -4.331 3.975 383 HD23 LEU 52 HD23 LEU 52 3.200 -4.754 4.282 384 H GLU 53 HN GLU 53 5.678 0.751 6.657 385 HA GLU 53 HA GLU 53 8.418 0.673 6.139 386 HB2 GLU 53 HB2 GLU 53 6.969 2.344 8.191 387 HB3 GLU 53 HB1 GLU 53 8.641 2.576 7.737 388 HG2 GLU 53 HG2 GLU 53 7.850 3.030 5.412 389 HG3 GLU 53 HG1 GLU 53 6.201 3.002 6.051 390 H SER 54 HN SER 54 6.621 0.195 9.145 391 HA SER 54 HA SER 54 8.804 -0.396 10.809 392 HB2 SER 54 HB2 SER 54 5.909 -1.243 11.089 393 HB3 SER 54 HB1 SER 54 7.109 -1.187 12.381 394 HG SER 54 HG SER 54 7.287 1.147 11.491 395 H ARG 55 HN ARG 55 7.133 -2.288 8.504 396 HA ARG 55 HA ARG 55 7.961 -4.820 9.646 397 HB2 ARG 55 HB2 ARG 55 5.722 -4.615 8.729 398 HB3 ARG 55 HB1 ARG 55 6.377 -4.188 7.159 399 HG2 ARG 55 HG2 ARG 55 7.355 -6.427 6.973 400 HG3 ARG 55 HG1 ARG 55 6.676 -6.845 8.548 401 HD2 ARG 55 HD2 ARG 55 4.434 -6.536 7.722 402 HD3 ARG 55 HD1 ARG 55 5.046 -5.928 6.184 403 HE ARG 55 HE ARG 55 5.627 -8.656 7.078 404 HH11 ARG 55 HH11 ARG 55 4.097 -6.483 4.728 405 HH12 ARG 55 HH12 ARG 55 4.014 -7.680 3.499 406 HH21 ARG 55 HH21 ARG 55 5.380 -10.290 5.389 407 HH22 ARG 55 HH22 ARG 55 4.678 -9.843 3.889 408 H TYR 56 HN TYR 56 8.865 -2.790 6.867 409 HA TYR 56 HA TYR 56 10.852 -4.845 6.163 410 HB2 TYR 56 HB2 TYR 56 9.452 -2.852 4.416 411 HB3 TYR 56 HB1 TYR 56 10.925 -3.662 3.902 412 HD1 TYR 56 HD1 TYR 56 7.361 -4.113 4.679 413 HD2 TYR 56 HD2 TYR 56 10.932 -6.001 3.342 414 HE1 TYR 56 HE1 TYR 56 6.057 -6.045 3.914 415 HE2 TYR 56 HE2 TYR 56 9.630 -7.936 2.569 416 HH TYR 56 HH TYR 56 6.175 -7.909 2.394 417 H GLY 57 HN GLY 57 10.678 -1.647 7.362 418 HA2 GLY 57 HA2 GLY 57 12.481 -0.388 8.089 419 HA3 GLY 57 HA1 GLY 57 13.564 -1.483 7.240 420 H VAL 58 HN VAL 58 10.823 0.383 6.057 421 HA VAL 58 HA VAL 58 12.668 1.649 4.183 422 HB VAL 58 HB VAL 58 10.771 1.928 2.578 423 HG11 VAL 58 HG11 VAL 58 11.420 -0.908 3.353 424 HG12 VAL 58 HG12 VAL 58 12.368 0.130 2.283 425 HG13 VAL 58 HG13 VAL 58 10.754 -0.398 1.801 426 HG21 VAL 58 HG21 VAL 58 9.328 0.059 4.462 427 HG22 VAL 58 HG22 VAL 58 8.763 0.538 2.862 428 HG23 VAL 58 HG23 VAL 58 8.907 1.741 4.145 429 H SER 59 HN SER 59 11.538 3.722 3.171 430 HA SER 59 HA SER 59 10.378 5.245 5.353 431 HB2 SER 59 HB2 SER 59 12.867 5.632 5.223 432 HB3 SER 59 HB1 SER 59 12.654 6.182 3.568 433 HG SER 59 HG SER 59 11.165 7.374 5.648 434 H ILE 60 HN ILE 60 8.471 5.690 4.592 435 HA ILE 60 HA ILE 60 8.144 6.351 1.741 436 HB ILE 60 HB ILE 60 6.118 5.187 3.678 437 HG12 ILE 60 HG12 ILE 60 7.477 3.877 1.307 438 HG13 ILE 60 HG11 ILE 60 7.914 3.594 2.988 439 HG21 ILE 60 HG21 ILE 60 5.064 6.627 2.011 440 HG22 ILE 60 HG22 ILE 60 4.672 4.936 1.703 441 HG23 ILE 60 HG23 ILE 60 5.881 5.751 0.714 442 HD11 ILE 60 HD11 ILE 60 5.698 2.658 3.396 443 HD12 ILE 60 HD12 ILE 60 6.530 1.803 2.095 444 HD13 ILE 60 HD13 ILE 60 5.259 2.966 1.717 445 HA PRO 61 HA PRO 61 7.075 10.373 3.499 446 HB2 PRO 61 HB2 PRO 61 6.338 10.979 0.703 447 HB3 PRO 61 HB1 PRO 61 7.507 11.792 1.747 448 HG2 PRO 61 HG2 PRO 61 8.278 10.259 -0.325 449 HG3 PRO 61 HG1 PRO 61 9.220 10.362 1.174 450 HD2 PRO 61 HD2 PRO 61 7.375 8.203 0.234 451 HD3 PRO 61 HD1 PRO 61 8.920 8.070 1.101 452 H ASP 62 HN ASP 62 5.162 11.121 4.139 453 HA ASP 62 HA ASP 62 2.952 9.384 4.053 454 HB2 ASP 62 HB2 ASP 62 3.056 12.246 5.003 455 HB3 ASP 62 HB1 ASP 62 1.716 11.141 5.278 456 H ASP 63 HN ASP 63 3.318 12.594 2.604 457 HA ASP 63 HA ASP 63 0.807 12.853 1.443 458 HB2 ASP 63 HB2 ASP 63 2.349 14.710 1.512 459 HB3 ASP 63 HB1 ASP 63 3.475 13.870 0.455 460 H VAL 64 HN VAL 64 3.597 11.179 0.234 461 HA VAL 64 HA VAL 64 2.765 10.684 -2.413 462 HB VAL 64 HB VAL 64 4.540 9.045 -0.628 463 HG11 VAL 64 HG11 VAL 64 3.853 7.800 -2.639 464 HG12 VAL 64 HG12 VAL 64 5.556 8.229 -2.758 465 HG13 VAL 64 HG13 VAL 64 4.350 9.146 -3.663 466 HG21 VAL 64 HG21 VAL 64 5.224 11.266 -2.552 467 HG22 VAL 64 HG22 VAL 64 6.400 10.277 -1.684 468 HG23 VAL 64 HG23 VAL 64 5.305 11.335 -0.791 469 H ALA 65 HN ALA 65 2.304 8.893 0.601 470 HA ALA 65 HA ALA 65 1.176 6.575 -0.572 471 HB1 ALA 65 HB1 ALA 65 0.876 7.604 2.238 472 HB2 ALA 65 HB2 ALA 65 2.172 6.549 1.666 473 HB3 ALA 65 HB3 ALA 65 0.504 5.974 1.692 474 H GLY 66 HN GLY 66 -0.128 9.670 0.188 475 HA2 GLY 66 HA2 GLY 66 -2.865 8.677 -0.088 476 HA3 GLY 66 HA1 GLY 66 -2.391 10.325 0.317 477 H ARG 67 HN ARG 67 -0.372 9.969 -1.936 478 HA ARG 67 HA ARG 67 -1.978 11.219 -3.958 479 HB2 ARG 67 HB2 ARG 67 0.191 12.137 -3.488 480 HB3 ARG 67 HB1 ARG 67 0.968 10.589 -3.756 481 HG2 ARG 67 HG2 ARG 67 0.379 10.725 -6.134 482 HG3 ARG 67 HG1 ARG 67 -0.355 12.306 -5.844 483 HD2 ARG 67 HD2 ARG 67 1.712 13.272 -5.287 484 HD3 ARG 67 HD1 ARG 67 2.492 11.698 -5.133 485 HE ARG 67 HE ARG 67 1.469 12.139 -7.742 486 HH11 ARG 67 HH11 ARG 67 4.119 13.186 -5.679 487 HH12 ARG 67 HH12 ARG 67 5.320 13.156 -6.895 488 HH21 ARG 67 HH21 ARG 67 3.025 12.087 -9.421 489 HH22 ARG 67 HH22 ARG 67 4.665 12.492 -9.155 490 H VAL 68 HN VAL 68 -0.841 8.040 -3.344 491 HA VAL 68 HA VAL 68 -0.618 7.022 -5.947 492 HB VAL 68 HB VAL 68 -0.983 4.761 -4.971 493 HG11 VAL 68 HG11 VAL 68 0.918 4.771 -3.444 494 HG12 VAL 68 HG12 VAL 68 0.830 6.533 -3.366 495 HG13 VAL 68 HG13 VAL 68 1.219 5.731 -4.893 496 HG21 VAL 68 HG21 VAL 68 -1.305 4.494 -2.558 497 HG22 VAL 68 HG22 VAL 68 -2.685 5.311 -3.296 498 HG23 VAL 68 HG23 VAL 68 -1.488 6.239 -2.389 499 H ASP 69 HN ASP 69 -2.004 6.793 -7.498 500 HA ASP 69 HA ASP 69 -4.812 7.322 -7.148 501 HB2 ASP 69 HB2 ASP 69 -3.450 7.994 -9.192 502 HB3 ASP 69 HB1 ASP 69 -3.355 6.299 -9.584 503 H THR 70 HN THR 70 -2.865 4.558 -8.171 504 HA THR 70 HA THR 70 -5.079 2.827 -7.377 505 HB THR 70 HB THR 70 -4.332 1.302 -9.245 506 HG1 THR 70 HG1 THR 70 -3.116 3.518 -10.423 507 HG21 THR 70 HG21 THR 70 -5.384 2.638 -11.031 508 HG22 THR 70 HG22 THR 70 -5.152 4.084 -10.036 509 HG23 THR 70 HG23 THR 70 -6.261 2.818 -9.500 510 HA PRO 71 HA PRO 71 -2.244 0.600 -4.786 511 HB2 PRO 71 HB2 PRO 71 -3.100 -1.908 -6.149 512 HB3 PRO 71 HB1 PRO 71 -3.116 -1.504 -4.427 513 HG2 PRO 71 HG2 PRO 71 -5.378 -1.526 -5.775 514 HG3 PRO 71 HG1 PRO 71 -5.054 -0.217 -4.619 515 HD2 PRO 71 HD2 PRO 71 -4.820 -0.205 -7.606 516 HD3 PRO 71 HD1 PRO 71 -5.531 1.021 -6.531 517 H ARG 72 HN ARG 72 -2.157 0.116 -8.202 518 HA ARG 72 HA ARG 72 0.187 -1.393 -8.464 519 HB2 ARG 72 HB2 ARG 72 -1.424 -0.886 -10.288 520 HB3 ARG 72 HB1 ARG 72 -0.843 0.773 -10.297 521 HG2 ARG 72 HG2 ARG 72 1.370 0.001 -10.972 522 HG3 ARG 72 HG1 ARG 72 0.795 -1.670 -10.943 523 HD2 ARG 72 HD2 ARG 72 -0.259 0.540 -12.697 524 HD3 ARG 72 HD1 ARG 72 0.799 -0.773 -13.212 525 HE ARG 72 HE ARG 72 -1.049 -2.305 -12.658 526 HH11 ARG 72 HH11 ARG 72 -1.936 1.125 -13.043 527 HH12 ARG 72 HH12 ARG 72 -3.481 0.769 -13.683 528 HH21 ARG 72 HH21 ARG 72 -3.069 -2.749 -13.505 529 HH22 ARG 72 HH22 ARG 72 -4.184 -1.524 -13.958 530 H GLU 73 HN GLU 73 -0.357 2.067 -8.082 531 HA GLU 73 HA GLU 73 2.358 2.874 -8.436 532 HB2 GLU 73 HB2 GLU 73 0.320 4.341 -8.654 533 HB3 GLU 73 HB1 GLU 73 0.168 4.283 -6.907 534 HG2 GLU 73 HG2 GLU 73 1.218 6.332 -7.491 535 HG3 GLU 73 HG1 GLU 73 2.438 5.295 -6.750 536 H LEU 74 HN LEU 74 0.272 2.132 -5.728 537 HA LEU 74 HA LEU 74 2.012 2.859 -3.631 538 HB2 LEU 74 HB2 LEU 74 -0.520 2.414 -3.578 539 HB3 LEU 74 HB1 LEU 74 -0.128 0.717 -3.508 540 HG LEU 74 HG LEU 74 0.668 2.736 -1.386 541 HD11 LEU 74 HD11 LEU 74 -1.137 1.771 -0.057 542 HD12 LEU 74 HD12 LEU 74 -1.622 0.783 -1.432 543 HD13 LEU 74 HD13 LEU 74 -1.742 2.543 -1.521 544 HD21 LEU 74 HD21 LEU 74 2.084 0.721 -1.425 545 HD22 LEU 74 HD22 LEU 74 0.641 -0.287 -1.329 546 HD23 LEU 74 HD23 LEU 74 1.067 0.772 0.016 547 H LEU 75 HN LEU 75 1.401 -0.242 -5.238 548 HA LEU 75 HA LEU 75 3.209 -1.812 -3.762 549 HB2 LEU 75 HB2 LEU 75 1.441 -2.720 -5.239 550 HB3 LEU 75 HB1 LEU 75 2.315 -2.125 -6.634 551 HG LEU 75 HG LEU 75 4.206 -3.646 -6.003 552 HD11 LEU 75 HD11 LEU 75 3.734 -5.490 -4.489 553 HD12 LEU 75 HD12 LEU 75 2.190 -4.746 -4.069 554 HD13 LEU 75 HD13 LEU 75 3.699 -3.931 -3.667 555 HD21 LEU 75 HD21 LEU 75 3.127 -5.672 -6.836 556 HD22 LEU 75 HD22 LEU 75 2.633 -4.250 -7.750 557 HD23 LEU 75 HD23 LEU 75 1.547 -4.947 -6.546 558 H ASP 76 HN ASP 76 3.518 -0.037 -6.802 559 HA ASP 76 HA ASP 76 6.159 -0.762 -7.412 560 HB2 ASP 76 HB2 ASP 76 4.603 0.249 -9.039 561 HB3 ASP 76 HB1 ASP 76 4.692 1.770 -8.160 562 H LEU 77 HN LEU 77 4.829 1.990 -5.674 563 HA LEU 77 HA LEU 77 7.099 3.436 -5.104 564 HB2 LEU 77 HB2 LEU 77 4.932 4.274 -4.533 565 HB3 LEU 77 HB1 LEU 77 4.630 2.929 -3.454 566 HG LEU 77 HG LEU 77 6.425 3.782 -1.960 567 HD11 LEU 77 HD11 LEU 77 7.720 5.049 -3.565 568 HD12 LEU 77 HD12 LEU 77 7.228 6.057 -2.210 569 HD13 LEU 77 HD13 LEU 77 6.392 6.197 -3.759 570 HD21 LEU 77 HD21 LEU 77 5.099 5.621 -1.044 571 HD22 LEU 77 HD22 LEU 77 4.094 4.249 -1.500 572 HD23 LEU 77 HD23 LEU 77 4.153 5.680 -2.531 573 H ILE 78 HN ILE 78 5.657 0.863 -3.155 574 HA ILE 78 HA ILE 78 7.796 0.885 -1.312 575 HB ILE 78 HB ILE 78 5.637 -1.212 -1.706 576 HG12 ILE 78 HG12 ILE 78 5.913 1.130 0.184 577 HG13 ILE 78 HG11 ILE 78 4.778 0.995 -1.151 578 HG21 ILE 78 HG21 ILE 78 7.543 -0.807 0.617 579 HG22 ILE 78 HG22 ILE 78 7.597 -2.147 -0.526 580 HG23 ILE 78 HG23 ILE 78 6.219 -1.972 0.563 581 HD11 ILE 78 HD11 ILE 78 3.678 -0.857 0.005 582 HD12 ILE 78 HD12 ILE 78 3.685 0.629 0.958 583 HD13 ILE 78 HD13 ILE 78 4.813 -0.668 1.344 584 H ASN 79 HN ASN 79 7.089 -1.127 -4.125 585 HA ASN 79 HA ASN 79 9.245 -2.898 -3.795 586 HB2 ASN 79 HB2 ASN 79 7.876 -1.966 -6.323 587 HB3 ASN 79 HB1 ASN 79 9.221 -3.092 -6.365 588 HD21 ASN 79 HD21 ASN 79 8.307 -4.392 -3.847 589 HD22 ASN 79 HD22 ASN 79 6.952 -5.365 -4.340 590 H GLY 80 HN GLY 80 9.141 0.226 -5.449 591 HA2 GLY 80 HA2 GLY 80 11.844 0.265 -6.244 592 HA3 GLY 80 HA1 GLY 80 10.832 1.681 -6.005 593 H ALA 81 HN ALA 81 10.264 1.288 -3.266 594 HA ALA 81 HA ALA 81 12.532 2.448 -2.050 595 HB1 ALA 81 HB1 ALA 81 10.244 2.875 -1.265 596 HB2 ALA 81 HB2 ALA 81 11.262 2.270 0.040 597 HB3 ALA 81 HB3 ALA 81 10.106 1.194 -0.751 598 H LEU 82 HN LEU 82 11.141 -0.776 -1.949 599 HA LEU 82 HA LEU 82 12.979 -1.951 -0.171 600 HB2 LEU 82 HB2 LEU 82 11.235 -3.120 -2.319 601 HB3 LEU 82 HB1 LEU 82 12.208 -4.095 -1.241 602 HG LEU 82 HG LEU 82 10.006 -2.233 -0.354 603 HD11 LEU 82 HD11 LEU 82 8.745 -4.280 0.086 604 HD12 LEU 82 HD12 LEU 82 10.050 -5.237 -0.618 605 HD13 LEU 82 HD13 LEU 82 9.132 -4.122 -1.628 606 HD21 LEU 82 HD21 LEU 82 11.620 -4.298 1.131 607 HD22 LEU 82 HD22 LEU 82 10.268 -3.377 1.790 608 HD23 LEU 82 HD23 LEU 82 11.750 -2.549 1.309 609 H ALA 83 HN ALA 83 13.008 -1.480 -3.629 610 HA ALA 83 HA ALA 83 15.285 -3.052 -4.193 611 HB1 ALA 83 HB1 ALA 83 15.375 -1.820 -6.306 612 HB2 ALA 83 HB2 ALA 83 14.229 -0.639 -5.676 613 HB3 ALA 83 HB3 ALA 83 13.721 -2.307 -5.935 614 H GLU 84 HN GLU 84 14.824 0.284 -3.233 615 HA GLU 84 HA GLU 84 17.581 0.999 -3.456 616 HB2 GLU 84 HB2 GLU 84 15.783 2.671 -3.608 617 HB3 GLU 84 HB1 GLU 84 15.311 2.322 -1.953 618 HG2 GLU 84 HG2 GLU 84 17.342 3.240 -1.107 619 HG3 GLU 84 HG1 GLU 84 18.009 3.394 -2.729 620 H ALA 85 HN ALA 85 15.594 -0.487 -1.109 621 HA ALA 85 HA ALA 85 17.448 -0.139 1.075 622 HB1 ALA 85 HB1 ALA 85 15.828 -1.401 2.380 623 HB2 ALA 85 HB2 ALA 85 14.912 -1.760 0.916 624 HB3 ALA 85 HB3 ALA 85 15.038 -0.098 1.493 625 H ALA 86 HN ALA 86 17.600 -2.043 -1.565 626 HA ALA 86 HA ALA 86 19.010 -4.108 -0.077 627 HB1 ALA 86 HB1 ALA 86 18.132 -5.845 -1.557 628 HB2 ALA 86 HB2 ALA 86 17.140 -4.646 -2.386 629 HB3 ALA 86 HB3 ALA 86 16.827 -5.032 -0.694 630 H28 SXV 87 H28A SXV 87 -4.650 13.921 2.719 631 H28A SXV 87 H28B SXV 87 -3.825 12.362 2.660 632 H30 SXV 87 H30C SXV 87 -2.562 14.930 3.403 633 H30A SXV 87 H30A SXV 87 -1.097 14.758 2.437 634 H30B SXV 87 H30B SXV 87 -1.756 13.365 3.294 635 H31 SXV 87 H31C SXV 87 -1.747 12.102 1.255 636 H31A SXV 87 H31A SXV 87 -1.173 13.457 0.285 637 H31B SXV 87 H31B SXV 87 -2.667 12.621 -0.153 638 H32 SXV 87 H32A SXV 87 -2.298 15.771 0.457 639 HO33 SXV 87 H33A SXV 87 -4.849 16.065 1.252 640 HN36 SXV 87 H36A SXV 87 -2.587 14.242 -1.525 641 H37 SXV 87 H37B SXV 87 -5.202 14.710 -2.802 642 H37A SXV 87 H37A SXV 87 -4.377 13.152 -2.913 643 H38 SXV 87 H38B SXV 87 -3.967 14.388 -4.925 644 H38A SXV 87 H38A SXV 87 -2.467 14.244 -4.030 645 HN41 SXV 87 H41A SXV 87 -1.915 16.002 -5.507 646 H42 SXV 87 H42B SXV 87 -2.265 18.594 -4.236 647 H42A SXV 87 H42A SXV 87 -2.740 18.497 -5.922 648 H43 SXV 87 H43B SXV 87 -0.032 17.749 -4.850 649 H43A SXV 87 H43A SXV 87 -0.451 17.937 -6.543 650 H1 SXV 87 H1B SXV 87 -1.494 20.072 -3.459 651 H1A SXV 87 H1A SXV 87 0.210 19.764 -3.084 652 H2 SXV 87 H2A SXV 87 -0.941 22.412 -3.790 653 H2A SXV 87 H2B SXV 87 0.777 22.087 -3.524 654 H4 SXV 87 H4C SXV 87 1.059 22.137 -0.247 655 H4A SXV 87 H4A SXV 87 1.273 20.801 -1.380 656 H4B SXV 87 H4B SXV 87 0.016 20.711 -0.139 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 17.764 -10.426 1.643 2 H2 MET 1 HT2 MET 1 16.891 -9.184 0.910 3 H3 MET 1 HT3 MET 1 16.103 -10.594 1.390 4 HA MET 1 HA MET 1 16.503 -10.112 3.683 5 HB2 MET 1 HB2 MET 1 18.595 -8.819 3.343 6 HB3 MET 1 HB1 MET 1 17.665 -7.524 2.610 7 HG2 MET 1 HG2 MET 1 16.508 -7.148 4.724 8 HG3 MET 1 HG1 MET 1 17.417 -8.468 5.459 9 HE1 MET 1 HE1 MET 1 18.729 -5.775 2.888 10 HE2 MET 1 HE2 MET 1 19.341 -4.529 3.977 11 HE3 MET 1 HE3 MET 1 17.610 -4.858 3.899 12 H ALA 2 HN ALA 2 15.827 -7.445 1.390 13 HA ALA 2 HA ALA 2 13.398 -6.800 2.802 14 HB1 ALA 2 HB1 ALA 2 14.633 -5.604 0.315 15 HB2 ALA 2 HB2 ALA 2 14.839 -5.003 1.961 16 HB3 ALA 2 HB3 ALA 2 13.250 -4.951 1.195 17 H THR 3 HN THR 3 11.746 -8.061 2.441 18 HA THR 3 HA THR 3 11.332 -9.660 0.159 19 HB THR 3 HB THR 3 9.470 -8.765 2.278 20 HG1 THR 3 HG1 THR 3 11.238 -11.030 2.180 21 HG21 THR 3 HG21 THR 3 8.297 -10.918 1.829 22 HG22 THR 3 HG22 THR 3 9.425 -11.220 0.507 23 HG23 THR 3 HG23 THR 3 8.314 -9.853 0.424 24 H LEU 4 HN LEU 4 10.933 -8.642 -1.765 25 HA LEU 4 HA LEU 4 9.528 -6.216 -2.085 26 HB2 LEU 4 HB2 LEU 4 9.851 -8.483 -4.073 27 HB3 LEU 4 HB1 LEU 4 9.336 -6.858 -4.452 28 HG LEU 4 HG LEU 4 12.074 -7.606 -3.423 29 HD11 LEU 4 HD11 LEU 4 12.827 -7.059 -5.683 30 HD12 LEU 4 HD12 LEU 4 11.156 -6.800 -6.176 31 HD13 LEU 4 HD13 LEU 4 11.691 -8.408 -5.686 32 HD21 LEU 4 HD21 LEU 4 10.986 -4.969 -4.420 33 HD22 LEU 4 HD22 LEU 4 12.662 -5.291 -3.975 34 HD23 LEU 4 HD23 LEU 4 11.395 -5.353 -2.748 35 H LEU 5 HN LEU 5 7.415 -5.853 -2.437 36 HA LEU 5 HA LEU 5 5.632 -7.636 -1.136 37 HB2 LEU 5 HB2 LEU 5 5.120 -5.154 -2.722 38 HB3 LEU 5 HB1 LEU 5 3.982 -5.929 -1.634 39 HG LEU 5 HG LEU 5 6.601 -4.700 -0.786 40 HD11 LEU 5 HD11 LEU 5 5.032 -3.062 -1.742 41 HD12 LEU 5 HD12 LEU 5 5.295 -2.838 -0.022 42 HD13 LEU 5 HD13 LEU 5 3.801 -3.599 -0.595 43 HD21 LEU 5 HD21 LEU 5 4.189 -5.594 0.786 44 HD22 LEU 5 HD22 LEU 5 5.666 -4.888 1.452 45 HD23 LEU 5 HD23 LEU 5 5.703 -6.473 0.673 46 H THR 6 HN THR 6 4.610 -9.250 -2.076 47 HA THR 6 HA THR 6 4.259 -9.260 -4.950 48 HB THR 6 HB THR 6 3.465 -11.619 -4.452 49 HG1 THR 6 HG1 THR 6 4.675 -12.036 -2.194 50 HG21 THR 6 HG21 THR 6 5.731 -11.138 -5.289 51 HG22 THR 6 HG22 THR 6 5.756 -12.470 -4.132 52 HG23 THR 6 HG23 THR 6 6.283 -10.863 -3.637 53 H THR 7 HN THR 7 1.924 -10.595 -5.353 54 HA THR 7 HA THR 7 0.046 -8.685 -4.475 55 HB THR 7 HB THR 7 -1.616 -10.198 -5.678 56 HG1 THR 7 HG1 THR 7 -0.869 -12.107 -6.033 57 HG21 THR 7 HG21 THR 7 -0.613 -8.249 -6.711 58 HG22 THR 7 HG22 THR 7 -0.752 -9.560 -7.892 59 HG23 THR 7 HG23 THR 7 0.812 -9.187 -7.163 60 H ASP 8 HN ASP 8 1.173 -11.562 -3.168 61 HA ASP 8 HA ASP 8 -1.136 -12.007 -1.473 62 HB2 ASP 8 HB2 ASP 8 1.647 -13.198 -1.428 63 HB3 ASP 8 HB1 ASP 8 0.437 -13.551 -0.207 64 H ASP 9 HN ASP 9 2.148 -10.735 -1.145 65 HA ASP 9 HA ASP 9 1.777 -10.201 1.621 66 HB2 ASP 9 HB2 ASP 9 4.036 -10.531 0.363 67 HB3 ASP 9 HB1 ASP 9 3.875 -8.822 -0.014 68 H LEU 10 HN LEU 10 1.560 -8.175 -1.283 69 HA LEU 10 HA LEU 10 1.139 -5.709 0.018 70 HB2 LEU 10 HB2 LEU 10 1.594 -5.913 -2.405 71 HB3 LEU 10 HB1 LEU 10 0.023 -6.652 -2.635 72 HG LEU 10 HG LEU 10 -1.006 -4.524 -1.801 73 HD11 LEU 10 HD11 LEU 10 1.792 -3.472 -2.102 74 HD12 LEU 10 HD12 LEU 10 0.877 -3.617 -0.600 75 HD13 LEU 10 HD13 LEU 10 0.345 -2.491 -1.852 76 HD21 LEU 10 HD21 LEU 10 0.689 -4.347 -4.293 77 HD22 LEU 10 HD22 LEU 10 -0.694 -3.323 -3.916 78 HD23 LEU 10 HD23 LEU 10 -0.921 -5.053 -4.173 79 H ARG 11 HN ARG 11 -1.004 -8.318 -0.865 80 HA ARG 11 HA ARG 11 -3.505 -7.197 -0.332 81 HB2 ARG 11 HB2 ARG 11 -3.200 -9.373 -1.400 82 HB3 ARG 11 HB1 ARG 11 -2.501 -10.021 0.071 83 HG2 ARG 11 HG2 ARG 11 -4.654 -9.666 1.199 84 HG3 ARG 11 HG1 ARG 11 -5.333 -9.126 -0.338 85 HD2 ARG 11 HD2 ARG 11 -4.822 -11.294 -1.335 86 HD3 ARG 11 HD1 ARG 11 -4.133 -11.845 0.204 87 HE ARG 11 HE ARG 11 -6.725 -10.830 0.496 88 HH11 ARG 11 HH11 ARG 11 -5.083 -13.784 -0.648 89 HH12 ARG 11 HH12 ARG 11 -6.434 -14.775 -0.284 90 HH21 ARG 11 HH21 ARG 11 -8.470 -12.166 0.944 91 HH22 ARG 11 HH22 ARG 11 -8.416 -13.848 0.701 92 H ARG 12 HN ARG 12 -1.226 -8.881 1.728 93 HA ARG 12 HA ARG 12 -2.667 -8.830 4.143 94 HB2 ARG 12 HB2 ARG 12 0.329 -8.867 3.709 95 HB3 ARG 12 HB1 ARG 12 -0.496 -9.299 5.199 96 HG2 ARG 12 HG2 ARG 12 -1.502 -11.219 4.154 97 HG3 ARG 12 HG1 ARG 12 -0.861 -10.743 2.580 98 HD2 ARG 12 HD2 ARG 12 0.486 -12.518 3.535 99 HD3 ARG 12 HD1 ARG 12 1.421 -11.029 3.436 100 HE ARG 12 HE ARG 12 0.081 -11.531 5.947 101 HH11 ARG 12 HH11 ARG 12 3.133 -11.792 4.115 102 HH12 ARG 12 HH12 ARG 12 4.063 -12.012 5.532 103 HH21 ARG 12 HH21 ARG 12 1.483 -11.804 7.866 104 HH22 ARG 12 HH22 ARG 12 3.162 -12.021 7.596 105 H ALA 13 HN ALA 13 -0.314 -6.624 2.725 106 HA ALA 13 HA ALA 13 0.051 -4.845 4.831 107 HB1 ALA 13 HB1 ALA 13 1.454 -4.918 2.834 108 HB2 ALA 13 HB2 ALA 13 0.878 -3.287 3.177 109 HB3 ALA 13 HB3 ALA 13 0.132 -4.236 1.886 110 H LEU 14 HN LEU 14 -2.357 -4.724 2.216 111 HA LEU 14 HA LEU 14 -3.519 -2.296 3.076 112 HB2 LEU 14 HB2 LEU 14 -4.526 -4.513 1.322 113 HB3 LEU 14 HB1 LEU 14 -5.641 -3.280 1.863 114 HG LEU 14 HG LEU 14 -4.918 -2.759 -0.354 115 HD11 LEU 14 HD11 LEU 14 -5.287 -0.875 1.076 116 HD12 LEU 14 HD12 LEU 14 -3.989 -0.527 -0.066 117 HD13 LEU 14 HD13 LEU 14 -3.609 -0.913 1.613 118 HD21 LEU 14 HD21 LEU 14 -2.585 -2.289 -0.936 119 HD22 LEU 14 HD22 LEU 14 -2.804 -3.965 -0.429 120 HD23 LEU 14 HD23 LEU 14 -2.084 -2.796 0.676 121 H VAL 15 HN VAL 15 -4.314 -5.646 3.797 122 HA VAL 15 HA VAL 15 -6.571 -5.233 5.382 123 HB VAL 15 HB VAL 15 -4.487 -7.444 5.602 124 HG11 VAL 15 HG11 VAL 15 -6.209 -8.776 6.723 125 HG12 VAL 15 HG12 VAL 15 -7.292 -7.384 6.718 126 HG13 VAL 15 HG13 VAL 15 -5.803 -7.338 7.660 127 HG21 VAL 15 HG21 VAL 15 -6.084 -8.766 4.294 128 HG22 VAL 15 HG22 VAL 15 -5.549 -7.332 3.418 129 HG23 VAL 15 HG23 VAL 15 -7.142 -7.358 4.173 130 H GLU 16 HN GLU 16 -3.183 -4.969 6.200 131 HA GLU 16 HA GLU 16 -3.237 -4.861 8.973 132 HB2 GLU 16 HB2 GLU 16 -1.528 -3.316 7.049 133 HB3 GLU 16 HB1 GLU 16 -1.247 -3.403 8.778 134 HG2 GLU 16 HG2 GLU 16 -1.259 -5.754 6.908 135 HG3 GLU 16 HG1 GLU 16 0.156 -4.867 7.475 136 H SER 17 HN SER 17 -4.341 -2.473 6.643 137 HA SER 17 HA SER 17 -4.118 -0.276 8.536 138 HB2 SER 17 HB2 SER 17 -5.057 -0.223 5.687 139 HB3 SER 17 HB1 SER 17 -4.515 1.142 6.672 140 HG SER 17 HG SER 17 -2.781 -0.962 6.547 141 H ALA 18 HN ALA 18 -6.537 -2.533 7.885 142 HA ALA 18 HA ALA 18 -8.495 -0.738 9.122 143 HB1 ALA 18 HB1 ALA 18 -9.110 -2.174 6.544 144 HB2 ALA 18 HB2 ALA 18 -8.900 -0.427 6.732 145 HB3 ALA 18 HB3 ALA 18 -10.247 -1.257 7.524 146 H GLY 19 HN GLY 19 -7.026 -3.619 9.234 147 HA2 GLY 19 HA2 GLY 19 -7.522 -5.604 10.221 148 HA3 GLY 19 HA1 GLY 19 -9.024 -4.876 10.804 149 H GLU 20 HN GLU 20 -10.658 -6.099 10.138 150 HA GLU 20 HA GLU 20 -10.944 -6.397 7.268 151 HB2 GLU 20 HB2 GLU 20 -11.570 -8.755 7.361 152 HB3 GLU 20 HB1 GLU 20 -9.961 -8.550 8.012 153 HG2 GLU 20 HG2 GLU 20 -12.494 -9.019 9.589 154 HG3 GLU 20 HG1 GLU 20 -11.236 -10.200 9.256 155 H THR 21 HN THR 21 -12.030 -4.811 9.471 156 HA THR 21 HA THR 21 -14.711 -5.818 9.768 157 HB THR 21 HB THR 21 -13.608 -5.136 11.744 158 HG1 THR 21 HG1 THR 21 -15.200 -3.879 12.617 159 HG21 THR 21 HG21 THR 21 -12.052 -3.468 10.937 160 HG22 THR 21 HG22 THR 21 -13.011 -2.774 12.246 161 HG23 THR 21 HG23 THR 21 -13.376 -2.363 10.571 162 H ASP 22 HN ASP 22 -14.811 -5.488 7.486 163 HA ASP 22 HA ASP 22 -16.699 -3.524 6.779 164 HB2 ASP 22 HB2 ASP 22 -14.828 -1.932 6.679 165 HB3 ASP 22 HB1 ASP 22 -13.910 -3.035 5.663 166 H GLY 23 HN GLY 23 -13.961 -5.123 5.358 167 HA2 GLY 23 HA2 GLY 23 -14.894 -7.396 4.344 168 HA3 GLY 23 HA1 GLY 23 -15.531 -6.211 3.190 169 H THR 24 HN THR 24 -12.578 -6.510 5.045 170 HA THR 24 HA THR 24 -11.062 -5.458 2.815 171 HB THR 24 HB THR 24 -9.999 -6.089 5.548 172 HG1 THR 24 HG1 THR 24 -11.643 -3.881 4.775 173 HG21 THR 24 HG21 THR 24 -8.497 -5.211 3.807 174 HG22 THR 24 HG22 THR 24 -8.719 -4.020 5.092 175 HG23 THR 24 HG23 THR 24 -9.581 -3.844 3.559 176 H ASP 25 HN ASP 25 -11.280 -7.499 1.663 177 HA ASP 25 HA ASP 25 -9.454 -9.492 2.758 178 HB2 ASP 25 HB2 ASP 25 -11.932 -10.045 1.174 179 HB3 ASP 25 HB1 ASP 25 -10.636 -11.227 1.284 180 H LEU 26 HN LEU 26 -10.243 -7.829 0.067 181 HA LEU 26 HA LEU 26 -9.420 -7.681 -2.072 182 HB2 LEU 26 HB2 LEU 26 -6.787 -8.113 -0.621 183 HB3 LEU 26 HB1 LEU 26 -6.913 -7.588 -2.282 184 HG LEU 26 HG LEU 26 -6.406 -5.684 -1.050 185 HD11 LEU 26 HD11 LEU 26 -8.325 -4.202 -1.296 186 HD12 LEU 26 HD12 LEU 26 -9.353 -5.613 -1.550 187 HD13 LEU 26 HD13 LEU 26 -8.064 -5.245 -2.695 188 HD21 LEU 26 HD21 LEU 26 -6.876 -6.460 1.205 189 HD22 LEU 26 HD22 LEU 26 -8.609 -6.367 0.899 190 HD23 LEU 26 HD23 LEU 26 -7.641 -4.892 0.934 191 H SER 27 HN SER 27 -10.477 -9.487 -2.773 192 HA SER 27 HA SER 27 -9.052 -12.030 -2.649 193 HB2 SER 27 HB2 SER 27 -11.410 -11.828 -1.785 194 HB3 SER 27 HB1 SER 27 -11.929 -11.491 -3.431 195 HG SER 27 HG SER 27 -11.957 -13.733 -2.445 196 H GLY 28 HN GLY 28 -7.776 -12.356 -4.337 197 HA2 GLY 28 HA2 GLY 28 -7.463 -13.037 -6.548 198 HA3 GLY 28 HA1 GLY 28 -8.897 -12.125 -7.015 199 H ASP 29 HN ASP 29 -7.787 -11.050 -8.658 200 HA ASP 29 HA ASP 29 -5.448 -9.508 -8.047 201 HB2 ASP 29 HB2 ASP 29 -5.553 -8.716 -10.317 202 HB3 ASP 29 HB1 ASP 29 -5.958 -10.425 -10.348 203 H PHE 30 HN PHE 30 -5.345 -7.271 -7.792 204 HA PHE 30 HA PHE 30 -7.816 -5.744 -7.602 205 HB2 PHE 30 HB2 PHE 30 -7.598 -5.209 -5.251 206 HB3 PHE 30 HB1 PHE 30 -7.704 -6.951 -5.436 207 HD1 PHE 30 HD2 PHE 30 -5.496 -8.289 -5.372 208 HD2 PHE 30 HD1 PHE 30 -5.813 -4.264 -4.019 209 HE1 PHE 30 HE2 PHE 30 -3.440 -8.572 -4.054 210 HE2 PHE 30 HE1 PHE 30 -3.755 -4.547 -2.697 211 HZ PHE 30 HZ PHE 30 -2.570 -6.663 -2.707 212 H LEU 31 HN LEU 31 -5.056 -5.698 -8.929 213 HA LEU 31 HA LEU 31 -3.560 -3.661 -7.550 214 HB2 LEU 31 HB2 LEU 31 -3.106 -4.899 -10.266 215 HB3 LEU 31 HB1 LEU 31 -2.021 -3.767 -9.495 216 HG LEU 31 HG LEU 31 -1.063 -5.882 -9.251 217 HD11 LEU 31 HD11 LEU 31 -2.372 -5.197 -6.646 218 HD12 LEU 31 HD12 LEU 31 -0.855 -4.558 -7.282 219 HD13 LEU 31 HD13 LEU 31 -0.979 -6.262 -6.849 220 HD21 LEU 31 HD21 LEU 31 -3.696 -6.907 -8.189 221 HD22 LEU 31 HD22 LEU 31 -2.200 -7.838 -8.268 222 HD23 LEU 31 HD23 LEU 31 -2.978 -7.289 -9.752 223 H ASP 32 HN ASP 32 -5.920 -3.750 -10.002 224 HA ASP 32 HA ASP 32 -5.305 -1.034 -10.906 225 HB2 ASP 32 HB2 ASP 32 -6.875 -1.455 -12.706 226 HB3 ASP 32 HB1 ASP 32 -5.691 -2.754 -12.625 227 H LEU 33 HN LEU 33 -6.952 -2.297 -8.431 228 HA LEU 33 HA LEU 33 -9.485 -1.004 -8.783 229 HB2 LEU 33 HB2 LEU 33 -8.219 -2.173 -6.313 230 HB3 LEU 33 HB1 LEU 33 -9.841 -1.520 -6.378 231 HG LEU 33 HG LEU 33 -8.820 -3.966 -7.818 232 HD11 LEU 33 HD11 LEU 33 -10.427 -5.128 -6.386 233 HD12 LEU 33 HD12 LEU 33 -10.815 -3.596 -5.597 234 HD13 LEU 33 HD13 LEU 33 -9.196 -4.283 -5.444 235 HD21 LEU 33 HD21 LEU 33 -10.436 -2.777 -9.209 236 HD22 LEU 33 HD22 LEU 33 -11.566 -2.712 -7.852 237 HD23 LEU 33 HD23 LEU 33 -11.123 -4.269 -8.561 238 H ARG 34 HN ARG 34 -10.250 0.750 -7.644 239 HA ARG 34 HA ARG 34 -8.225 2.702 -6.903 240 HB2 ARG 34 HB2 ARG 34 -11.236 2.907 -7.175 241 HB3 ARG 34 HB1 ARG 34 -10.195 4.242 -6.703 242 HG2 ARG 34 HG2 ARG 34 -9.988 2.766 -9.314 243 HG3 ARG 34 HG1 ARG 34 -10.880 4.270 -9.082 244 HD2 ARG 34 HD2 ARG 34 -7.951 3.929 -8.485 245 HD3 ARG 34 HD1 ARG 34 -8.583 4.556 -10.013 246 HE ARG 34 HE ARG 34 -9.580 6.016 -7.750 247 HH11 ARG 34 HH11 ARG 34 -6.852 5.750 -9.957 248 HH12 ARG 34 HH12 ARG 34 -6.234 7.303 -9.603 249 HH21 ARG 34 HH21 ARG 34 -8.888 8.041 -7.343 250 HH22 ARG 34 HH22 ARG 34 -7.461 8.722 -8.048 251 H PHE 35 HN PHE 35 -8.120 3.533 -4.822 252 HA PHE 35 HA PHE 35 -8.968 1.730 -2.783 253 HB2 PHE 35 HB2 PHE 35 -7.668 4.452 -2.618 254 HB3 PHE 35 HB1 PHE 35 -7.945 3.388 -1.241 255 HD1 PHE 35 HD2 PHE 35 -6.943 1.021 -1.408 256 HD2 PHE 35 HD1 PHE 35 -5.698 4.306 -3.798 257 HE1 PHE 35 HE2 PHE 35 -4.826 -0.118 -1.862 258 HE2 PHE 35 HE1 PHE 35 -3.571 3.169 -4.266 259 HZ PHE 35 HZ PHE 35 -3.101 0.983 -3.222 260 H GLU 36 HN GLU 36 -10.026 4.632 -4.185 261 HA GLU 36 HA GLU 36 -11.995 5.513 -2.395 262 HB2 GLU 36 HB2 GLU 36 -12.084 5.510 -5.411 263 HB3 GLU 36 HB1 GLU 36 -12.980 6.576 -4.340 264 HG2 GLU 36 HG2 GLU 36 -10.982 7.687 -3.662 265 HG3 GLU 36 HG1 GLU 36 -9.976 6.510 -4.508 266 H ASP 37 HN ASP 37 -11.943 3.020 -4.859 267 HA ASP 37 HA ASP 37 -14.708 2.365 -4.837 268 HB2 ASP 37 HB2 ASP 37 -13.313 1.900 -6.786 269 HB3 ASP 37 HB1 ASP 37 -12.293 0.832 -5.836 270 H ILE 38 HN ILE 38 -11.847 1.041 -3.231 271 HA ILE 38 HA ILE 38 -13.516 -0.940 -1.903 272 HB ILE 38 HB ILE 38 -11.386 -1.905 -0.999 273 HG12 ILE 38 HG12 ILE 38 -10.115 0.152 -2.839 274 HG13 ILE 38 HG11 ILE 38 -10.024 0.158 -1.085 275 HG21 ILE 38 HG21 ILE 38 -11.628 -1.560 -3.973 276 HG22 ILE 38 HG22 ILE 38 -12.468 -2.756 -2.989 277 HG23 ILE 38 HG23 ILE 38 -10.710 -2.845 -3.178 278 HD11 ILE 38 HD11 ILE 38 -8.769 -1.939 -1.147 279 HD12 ILE 38 HD12 ILE 38 -7.971 -0.668 -2.074 280 HD13 ILE 38 HD13 ILE 38 -8.864 -1.940 -2.908 281 H GLY 39 HN GLY 39 -13.473 1.909 -1.233 282 HA2 GLY 39 HA2 GLY 39 -13.984 3.154 0.662 283 HA3 GLY 39 HA1 GLY 39 -14.115 1.625 1.510 284 H TYR 40 HN TYR 40 -11.283 3.112 0.006 285 HA TYR 40 HA TYR 40 -10.000 3.204 2.649 286 HB2 TYR 40 HB2 TYR 40 -8.985 2.537 -0.055 287 HB3 TYR 40 HB1 TYR 40 -7.913 3.391 1.037 288 HD1 TYR 40 HD2 TYR 40 -10.049 0.405 0.753 289 HD2 TYR 40 HD1 TYR 40 -6.661 2.171 2.598 290 HE1 TYR 40 HE2 TYR 40 -9.547 -1.719 1.762 291 HE2 TYR 40 HE1 TYR 40 -6.110 0.026 3.654 292 HH TYR 40 HH TYR 40 -7.664 -2.919 2.815 293 H ASP 41 HN ASP 41 -9.319 5.086 3.354 294 HA ASP 41 HA ASP 41 -9.415 7.388 1.560 295 HB2 ASP 41 HB2 ASP 41 -9.024 7.203 4.557 296 HB3 ASP 41 HB1 ASP 41 -8.965 8.702 3.643 297 H SER 42 HN SER 42 -7.619 8.822 1.592 298 HA SER 42 HA SER 42 -5.134 7.678 1.062 299 HB2 SER 42 HB2 SER 42 -4.399 10.045 1.265 300 HB3 SER 42 HB1 SER 42 -5.783 9.800 0.196 301 H LEU 43 HN LEU 43 -6.507 9.093 3.876 302 HA LEU 43 HA LEU 43 -4.334 9.232 5.615 303 HB2 LEU 43 HB2 LEU 43 -7.254 8.775 6.181 304 HB3 LEU 43 HB1 LEU 43 -6.063 9.253 7.379 305 HG LEU 43 HG LEU 43 -6.646 10.918 4.935 306 HD11 LEU 43 HD11 LEU 43 -7.810 11.190 7.697 307 HD12 LEU 43 HD12 LEU 43 -8.678 10.701 6.230 308 HD13 LEU 43 HD13 LEU 43 -7.982 12.320 6.346 309 HD21 LEU 43 HD21 LEU 43 -4.513 11.321 6.020 310 HD22 LEU 43 HD22 LEU 43 -5.332 11.539 7.568 311 HD23 LEU 43 HD23 LEU 43 -5.612 12.679 6.253 312 H ALA 44 HN ALA 44 -6.429 6.560 4.743 313 HA ALA 44 HA ALA 44 -5.382 4.777 6.748 314 HB1 ALA 44 HB1 ALA 44 -6.701 3.054 5.600 315 HB2 ALA 44 HB2 ALA 44 -7.040 4.186 4.289 316 HB3 ALA 44 HB3 ALA 44 -7.673 4.494 5.906 317 H LEU 45 HN LEU 45 -4.928 5.452 3.362 318 HA LEU 45 HA LEU 45 -3.238 3.347 2.685 319 HB2 LEU 45 HB2 LEU 45 -3.282 6.146 1.580 320 HB3 LEU 45 HB1 LEU 45 -2.511 4.769 0.815 321 HG LEU 45 HG LEU 45 -5.459 5.076 1.332 322 HD11 LEU 45 HD11 LEU 45 -5.631 5.242 -1.097 323 HD12 LEU 45 HD12 LEU 45 -3.873 5.192 -1.224 324 HD13 LEU 45 HD13 LEU 45 -4.661 6.552 -0.424 325 HD21 LEU 45 HD21 LEU 45 -4.736 2.764 1.485 326 HD22 LEU 45 HD22 LEU 45 -3.916 2.905 -0.069 327 HD23 LEU 45 HD23 LEU 45 -5.671 3.033 0.016 328 H MET 46 HN MET 46 -2.577 6.441 4.196 329 HA MET 46 HA MET 46 0.256 6.284 4.057 330 HB2 MET 46 HB2 MET 46 -1.412 7.742 6.116 331 HB3 MET 46 HB1 MET 46 0.315 7.951 5.879 332 HG2 MET 46 HG2 MET 46 -0.155 8.756 3.579 333 HG3 MET 46 HG1 MET 46 -1.882 8.610 3.976 334 HE1 MET 46 HE1 MET 46 -2.116 11.268 6.927 335 HE2 MET 46 HE2 MET 46 -1.716 9.557 7.096 336 HE3 MET 46 HE3 MET 46 -3.005 10.057 6.004 337 H GLU 47 HN GLU 47 -2.099 4.813 6.144 338 HA GLU 47 HA GLU 47 -0.109 4.065 8.058 339 HB2 GLU 47 HB2 GLU 47 -2.515 4.326 8.665 340 HB3 GLU 47 HB1 GLU 47 -2.871 2.882 7.724 341 HG2 GLU 47 HG2 GLU 47 -1.298 1.580 9.114 342 HG3 GLU 47 HG1 GLU 47 -1.031 3.001 10.109 343 H THR 48 HN THR 48 -1.702 2.645 5.255 344 HA THR 48 HA THR 48 -0.714 0.064 5.314 345 HB THR 48 HB THR 48 -0.914 1.853 2.869 346 HG1 THR 48 HG1 THR 48 -2.825 0.681 4.549 347 HG21 THR 48 HG21 THR 48 0.082 -0.369 2.464 348 HG22 THR 48 HG22 THR 48 -1.512 -0.244 1.720 349 HG23 THR 48 HG23 THR 48 -1.311 -1.129 3.232 350 H ALA 49 HN ALA 49 0.727 2.987 3.921 351 HA ALA 49 HA ALA 49 3.213 1.941 3.190 352 HB1 ALA 49 HB1 ALA 49 2.366 4.108 2.429 353 HB2 ALA 49 HB2 ALA 49 3.966 4.260 3.157 354 HB3 ALA 49 HB3 ALA 49 2.532 4.747 4.064 355 H ALA 50 HN ALA 50 2.246 3.617 6.201 356 HA ALA 50 HA ALA 50 4.685 3.492 7.537 357 HB1 ALA 50 HB1 ALA 50 3.432 3.872 9.585 358 HB2 ALA 50 HB2 ALA 50 1.938 3.395 8.777 359 HB3 ALA 50 HB3 ALA 50 2.783 4.860 8.275 360 H ARG 51 HN ARG 51 2.068 1.122 7.483 361 HA ARG 51 HA ARG 51 2.999 -0.765 9.312 362 HB2 ARG 51 HB2 ARG 51 1.645 -1.279 6.650 363 HB3 ARG 51 HB1 ARG 51 1.876 -2.492 7.891 364 HG2 ARG 51 HG2 ARG 51 0.255 0.018 8.215 365 HG3 ARG 51 HG1 ARG 51 -0.401 -1.565 7.802 366 HD2 ARG 51 HD2 ARG 51 0.432 -2.461 9.895 367 HD3 ARG 51 HD1 ARG 51 1.122 -0.890 10.307 368 HE ARG 51 HE ARG 51 -1.516 -0.388 9.827 369 HH11 ARG 51 HH11 ARG 51 0.140 -2.625 11.991 370 HH12 ARG 51 HH12 ARG 51 -0.950 -2.419 13.280 371 HH21 ARG 51 HH21 ARG 51 -3.046 -0.174 11.456 372 HH22 ARG 51 HH22 ARG 51 -2.896 -1.022 12.950 373 H LEU 52 HN LEU 52 3.731 -0.342 5.932 374 HA LEU 52 HA LEU 52 5.493 -2.573 5.830 375 HB2 LEU 52 HB2 LEU 52 4.983 -0.395 3.822 376 HB3 LEU 52 HB1 LEU 52 5.895 -1.864 3.515 377 HG LEU 52 HG LEU 52 2.967 -1.742 4.243 378 HD11 LEU 52 HD11 LEU 52 2.578 -2.555 1.991 379 HD12 LEU 52 HD12 LEU 52 4.306 -2.422 1.658 380 HD13 LEU 52 HD13 LEU 52 3.358 -0.972 1.995 381 HD21 LEU 52 HD21 LEU 52 4.735 -4.087 3.585 382 HD22 LEU 52 HD22 LEU 52 2.975 -4.140 3.735 383 HD23 LEU 52 HD23 LEU 52 3.965 -3.711 5.132 384 H GLU 53 HN GLU 53 5.887 0.885 6.278 385 HA GLU 53 HA GLU 53 8.659 1.034 5.954 386 HB2 GLU 53 HB2 GLU 53 6.917 2.541 7.913 387 HB3 GLU 53 HB1 GLU 53 8.602 2.915 7.592 388 HG2 GLU 53 HG2 GLU 53 7.960 3.327 5.215 389 HG3 GLU 53 HG1 GLU 53 6.277 3.149 5.713 390 H SER 54 HN SER 54 6.771 0.443 8.870 391 HA SER 54 HA SER 54 8.912 -0.143 10.567 392 HB2 SER 54 HB2 SER 54 6.707 0.374 11.434 393 HB3 SER 54 HB1 SER 54 6.021 -1.037 10.635 394 HG SER 54 HG SER 54 7.487 -0.815 12.961 395 H ARG 55 HN ARG 55 6.892 -2.198 8.583 396 HA ARG 55 HA ARG 55 7.767 -4.700 9.473 397 HB2 ARG 55 HB2 ARG 55 5.666 -4.295 8.382 398 HB3 ARG 55 HB1 ARG 55 6.472 -3.798 6.921 399 HG2 ARG 55 HG2 ARG 55 7.106 -6.061 6.445 400 HG3 ARG 55 HG1 ARG 55 6.506 -6.602 8.028 401 HD2 ARG 55 HD2 ARG 55 4.269 -5.985 7.481 402 HD3 ARG 55 HD1 ARG 55 4.801 -5.155 6.033 403 HE ARG 55 HE ARG 55 5.369 -7.464 5.194 404 HH11 ARG 55 HH11 ARG 55 2.838 -7.008 7.672 405 HH12 ARG 55 HH12 ARG 55 1.825 -8.209 7.065 406 HH21 ARG 55 HH21 ARG 55 3.879 -9.080 4.286 407 HH22 ARG 55 HH22 ARG 55 2.443 -9.397 5.125 408 H TYR 56 HN TYR 56 9.018 -2.689 6.787 409 HA TYR 56 HA TYR 56 11.000 -4.821 6.399 410 HB2 TYR 56 HB2 TYR 56 9.971 -2.869 4.351 411 HB3 TYR 56 HB1 TYR 56 11.272 -4.028 4.070 412 HD1 TYR 56 HD2 TYR 56 10.742 -6.479 4.620 413 HD2 TYR 56 HD1 TYR 56 7.762 -3.528 3.934 414 HE1 TYR 56 HE2 TYR 56 9.102 -8.242 4.227 415 HE2 TYR 56 HE1 TYR 56 6.100 -5.296 3.556 416 HH TYR 56 HH TYR 56 5.974 -7.752 2.977 417 H GLY 57 HN GLY 57 10.755 -1.535 7.320 418 HA2 GLY 57 HA2 GLY 57 12.504 -0.267 8.121 419 HA3 GLY 57 HA1 GLY 57 13.640 -1.445 7.469 420 H VAL 58 HN VAL 58 11.159 0.738 6.307 421 HA VAL 58 HA VAL 58 13.015 1.791 4.337 422 HB VAL 58 HB VAL 58 11.189 1.996 2.635 423 HG11 VAL 58 HG11 VAL 58 11.785 -0.826 3.481 424 HG12 VAL 58 HG12 VAL 58 12.780 0.192 2.439 425 HG13 VAL 58 HG13 VAL 58 11.182 -0.331 1.899 426 HG21 VAL 58 HG21 VAL 58 9.253 1.853 4.104 427 HG22 VAL 58 HG22 VAL 58 9.648 0.177 4.486 428 HG23 VAL 58 HG23 VAL 58 9.166 0.617 2.848 429 H SER 59 HN SER 59 11.806 3.857 3.284 430 HA SER 59 HA SER 59 10.532 5.258 5.491 431 HB2 SER 59 HB2 SER 59 12.864 6.288 3.863 432 HB3 SER 59 HB1 SER 59 12.000 7.179 5.122 433 HG SER 59 HG SER 59 12.596 4.979 6.254 434 H ILE 60 HN ILE 60 8.627 5.673 4.703 435 HA ILE 60 HA ILE 60 8.378 6.498 1.896 436 HB ILE 60 HB ILE 60 6.288 5.259 3.717 437 HG12 ILE 60 HG12 ILE 60 7.962 3.608 3.005 438 HG13 ILE 60 HG11 ILE 60 6.407 3.289 2.253 439 HG21 ILE 60 HG21 ILE 60 4.853 5.144 1.727 440 HG22 ILE 60 HG22 ILE 60 6.077 6.019 0.806 441 HG23 ILE 60 HG23 ILE 60 5.262 6.806 2.158 442 HD11 ILE 60 HD11 ILE 60 8.778 4.608 0.936 443 HD12 ILE 60 HD12 ILE 60 7.212 4.297 0.177 444 HD13 ILE 60 HD13 ILE 60 8.224 2.948 0.690 445 HA PRO 61 HA PRO 61 7.080 10.366 3.751 446 HB2 PRO 61 HB2 PRO 61 6.387 11.147 1.006 447 HB3 PRO 61 HB1 PRO 61 7.595 11.858 2.081 448 HG2 PRO 61 HG2 PRO 61 8.271 10.434 -0.112 449 HG3 PRO 61 HG1 PRO 61 9.264 10.446 1.358 450 HD2 PRO 61 HD2 PRO 61 7.326 8.376 0.396 451 HD3 PRO 61 HD1 PRO 61 8.919 8.160 1.151 452 H ASP 62 HN ASP 62 5.236 10.240 4.695 453 HA ASP 62 HA ASP 62 3.035 8.689 4.168 454 HB2 ASP 62 HB2 ASP 62 2.991 11.329 5.648 455 HB3 ASP 62 HB1 ASP 62 1.772 10.072 5.754 456 H ASP 63 HN ASP 63 3.448 12.069 3.369 457 HA ASP 63 HA ASP 63 0.892 12.570 2.353 458 HB2 ASP 63 HB2 ASP 63 1.807 14.566 1.231 459 HB3 ASP 63 HB1 ASP 63 2.373 14.424 2.883 460 H VAL 64 HN VAL 64 3.452 10.893 0.838 461 HA VAL 64 HA VAL 64 2.564 11.174 -1.874 462 HB VAL 64 HB VAL 64 4.319 9.148 -0.537 463 HG11 VAL 64 HG11 VAL 64 3.477 8.283 -2.700 464 HG12 VAL 64 HG12 VAL 64 5.193 8.659 -2.843 465 HG13 VAL 64 HG13 VAL 64 3.991 9.766 -3.508 466 HG21 VAL 64 HG21 VAL 64 6.193 10.454 -1.480 467 HG22 VAL 64 HG22 VAL 64 5.196 11.398 -0.368 468 HG23 VAL 64 HG23 VAL 64 5.031 11.622 -2.107 469 H ALA 65 HN ALA 65 1.973 8.949 0.778 470 HA ALA 65 HA ALA 65 0.772 6.886 -0.763 471 HB1 ALA 65 HB1 ALA 65 1.711 6.465 1.467 472 HB2 ALA 65 HB2 ALA 65 0.008 5.987 1.364 473 HB3 ALA 65 HB3 ALA 65 0.451 7.487 2.166 474 H GLY 66 HN GLY 66 -0.316 9.898 0.372 475 HA2 GLY 66 HA2 GLY 66 -3.117 9.224 0.253 476 HA3 GLY 66 HA1 GLY 66 -2.438 10.836 0.451 477 H ARG 67 HN ARG 67 -0.868 9.459 -2.080 478 HA ARG 67 HA ARG 67 -2.723 10.619 -4.051 479 HB2 ARG 67 HB2 ARG 67 0.283 10.822 -3.939 480 HB3 ARG 67 HB1 ARG 67 -0.742 11.487 -5.209 481 HG2 ARG 67 HG2 ARG 67 -1.740 13.033 -3.694 482 HG3 ARG 67 HG1 ARG 67 -0.989 12.244 -2.309 483 HD2 ARG 67 HD2 ARG 67 1.226 12.900 -3.244 484 HD3 ARG 67 HD1 ARG 67 0.370 13.833 -4.475 485 HE ARG 67 HE ARG 67 -0.718 14.943 -2.453 486 HH11 ARG 67 HH11 ARG 67 2.677 13.952 -2.622 487 HH12 ARG 67 HH12 ARG 67 3.145 14.862 -1.261 488 HH21 ARG 67 HH21 ARG 67 -0.076 16.313 -0.785 489 HH22 ARG 67 HH22 ARG 67 1.546 16.360 -0.221 490 H VAL 68 HN VAL 68 -1.825 7.765 -3.086 491 HA VAL 68 HA VAL 68 -0.839 6.774 -5.612 492 HB VAL 68 HB VAL 68 -0.726 4.523 -4.538 493 HG11 VAL 68 HG11 VAL 68 1.213 5.951 -4.483 494 HG12 VAL 68 HG12 VAL 68 1.107 5.019 -2.991 495 HG13 VAL 68 HG13 VAL 68 0.640 6.720 -3.004 496 HG21 VAL 68 HG21 VAL 68 -1.014 4.299 -2.114 497 HG22 VAL 68 HG22 VAL 68 -2.536 4.738 -2.897 498 HG23 VAL 68 HG23 VAL 68 -1.598 5.959 -2.030 499 H ASP 69 HN ASP 69 -2.130 6.532 -7.144 500 HA ASP 69 HA ASP 69 -4.889 6.507 -7.188 501 HB2 ASP 69 HB2 ASP 69 -2.910 5.403 -9.161 502 HB3 ASP 69 HB1 ASP 69 -4.637 5.478 -9.468 503 H THR 70 HN THR 70 -2.826 3.736 -7.872 504 HA THR 70 HA THR 70 -5.020 1.932 -7.174 505 HB THR 70 HB THR 70 -3.837 0.432 -8.832 506 HG1 THR 70 HG1 THR 70 -2.662 2.452 -10.222 507 HG21 THR 70 HG21 THR 70 -4.772 1.568 -10.811 508 HG22 THR 70 HG22 THR 70 -4.886 3.068 -9.886 509 HG23 THR 70 HG23 THR 70 -5.878 1.678 -9.439 510 HA PRO 71 HA PRO 71 -2.192 -0.160 -4.335 511 HB2 PRO 71 HB2 PRO 71 -2.850 -2.641 -5.871 512 HB3 PRO 71 HB1 PRO 71 -2.892 -2.363 -4.123 513 HG2 PRO 71 HG2 PRO 71 -5.147 -2.434 -5.469 514 HG3 PRO 71 HG1 PRO 71 -4.898 -1.179 -4.235 515 HD2 PRO 71 HD2 PRO 71 -4.701 -0.967 -7.217 516 HD3 PRO 71 HD1 PRO 71 -5.438 0.160 -6.057 517 H ARG 72 HN ARG 72 -2.071 -0.775 -7.790 518 HA ARG 72 HA ARG 72 0.509 -1.863 -8.003 519 HB2 ARG 72 HB2 ARG 72 -1.026 -1.868 -9.899 520 HB3 ARG 72 HB1 ARG 72 -1.049 -0.114 -9.927 521 HG2 ARG 72 HG2 ARG 72 0.311 -0.961 -11.738 522 HG3 ARG 72 HG1 ARG 72 1.323 -0.103 -10.578 523 HD2 ARG 72 HD2 ARG 72 2.448 -2.116 -11.280 524 HD3 ARG 72 HD1 ARG 72 1.965 -2.276 -9.591 525 HE ARG 72 HE ARG 72 0.017 -3.344 -11.360 526 HH11 ARG 72 HH11 ARG 72 3.183 -4.094 -9.897 527 HH12 ARG 72 HH12 ARG 72 2.965 -5.784 -9.954 528 HH21 ARG 72 HH21 ARG 72 -0.242 -5.709 -11.475 529 HH22 ARG 72 HH22 ARG 72 0.987 -6.714 -10.911 530 H GLU 73 HN GLU 73 -0.618 1.484 -7.923 531 HA GLU 73 HA GLU 73 1.876 2.748 -8.364 532 HB2 GLU 73 HB2 GLU 73 -0.350 3.841 -8.620 533 HB3 GLU 73 HB1 GLU 73 -0.562 3.774 -6.880 534 HG2 GLU 73 HG2 GLU 73 0.090 6.002 -7.554 535 HG3 GLU 73 HG1 GLU 73 1.367 5.253 -6.601 536 H LEU 74 HN LEU 74 0.111 1.896 -5.430 537 HA LEU 74 HA LEU 74 1.964 2.916 -3.547 538 HB2 LEU 74 HB2 LEU 74 -0.441 2.347 -3.109 539 HB3 LEU 74 HB1 LEU 74 -0.052 0.658 -3.257 540 HG LEU 74 HG LEU 74 -0.440 1.477 -0.923 541 HD11 LEU 74 HD11 LEU 74 0.766 -0.583 -1.248 542 HD12 LEU 74 HD12 LEU 74 1.420 0.308 0.124 543 HD13 LEU 74 HD13 LEU 74 2.281 0.306 -1.415 544 HD21 LEU 74 HD21 LEU 74 1.336 2.730 0.207 545 HD22 LEU 74 HD22 LEU 74 0.594 3.664 -1.094 546 HD23 LEU 74 HD23 LEU 74 2.173 2.919 -1.333 547 H LEU 75 HN LEU 75 1.519 -0.239 -5.005 548 HA LEU 75 HA LEU 75 3.439 -1.777 -3.718 549 HB2 LEU 75 HB2 LEU 75 1.647 -2.581 -5.225 550 HB3 LEU 75 HB1 LEU 75 2.501 -1.894 -6.586 551 HG LEU 75 HG LEU 75 4.344 -3.497 -6.194 552 HD11 LEU 75 HD11 LEU 75 3.988 -3.789 -3.811 553 HD12 LEU 75 HD12 LEU 75 3.993 -5.336 -4.667 554 HD13 LEU 75 HD13 LEU 75 2.471 -4.626 -4.130 555 HD21 LEU 75 HD21 LEU 75 3.133 -5.466 -6.968 556 HD22 LEU 75 HD22 LEU 75 2.564 -4.005 -7.777 557 HD23 LEU 75 HD23 LEU 75 1.609 -4.722 -6.480 558 H ASP 76 HN ASP 76 3.655 0.016 -6.774 559 HA ASP 76 HA ASP 76 6.314 -0.544 -7.381 560 HB2 ASP 76 HB2 ASP 76 4.792 0.391 -9.032 561 HB3 ASP 76 HB1 ASP 76 4.688 1.890 -8.117 562 H LEU 77 HN LEU 77 4.951 2.157 -5.586 563 HA LEU 77 HA LEU 77 7.259 3.652 -5.132 564 HB2 LEU 77 HB2 LEU 77 5.166 4.605 -4.568 565 HB3 LEU 77 HB1 LEU 77 4.753 3.271 -3.518 566 HG LEU 77 HG LEU 77 6.486 4.016 -1.918 567 HD11 LEU 77 HD11 LEU 77 6.790 6.425 -3.706 568 HD12 LEU 77 HD12 LEU 77 7.994 5.166 -3.408 569 HD13 LEU 77 HD13 LEU 77 7.487 6.215 -2.093 570 HD21 LEU 77 HD21 LEU 77 4.432 6.102 -2.626 571 HD22 LEU 77 HD22 LEU 77 5.267 5.951 -1.078 572 HD23 LEU 77 HD23 LEU 77 4.175 4.680 -1.616 573 H ILE 78 HN ILE 78 5.797 1.239 -2.990 574 HA ILE 78 HA ILE 78 7.961 1.467 -1.193 575 HB ILE 78 HB ILE 78 5.700 -0.551 -1.220 576 HG12 ILE 78 HG12 ILE 78 6.170 2.010 0.325 577 HG13 ILE 78 HG11 ILE 78 5.048 1.805 -1.011 578 HG21 ILE 78 HG21 ILE 78 7.708 0.093 0.966 579 HG22 ILE 78 HG22 ILE 78 7.647 -1.412 0.049 580 HG23 ILE 78 HG23 ILE 78 6.319 -0.984 1.132 581 HD11 ILE 78 HD11 ILE 78 4.905 0.447 1.656 582 HD12 ILE 78 HD12 ILE 78 3.776 0.236 0.318 583 HD13 ILE 78 HD13 ILE 78 3.910 1.807 1.120 584 H ASN 79 HN ASN 79 7.183 -0.934 -3.680 585 HA ASN 79 HA ASN 79 9.362 -2.635 -3.076 586 HB2 ASN 79 HB2 ASN 79 7.958 -2.155 -5.705 587 HB3 ASN 79 HB1 ASN 79 9.325 -3.253 -5.571 588 HD21 ASN 79 HD21 ASN 79 6.702 -3.898 -6.360 589 HD22 ASN 79 HD22 ASN 79 6.085 -5.036 -5.199 590 H GLY 80 HN GLY 80 9.177 0.323 -4.873 591 HA2 GLY 80 HA2 GLY 80 11.784 0.294 -5.961 592 HA3 GLY 80 HA1 GLY 80 10.821 1.734 -5.636 593 H ALA 81 HN ALA 81 10.466 1.582 -2.965 594 HA ALA 81 HA ALA 81 12.890 2.544 -1.902 595 HB1 ALA 81 HB1 ALA 81 10.436 1.578 -0.424 596 HB2 ALA 81 HB2 ALA 81 10.697 3.217 -1.025 597 HB3 ALA 81 HB3 ALA 81 11.724 2.572 0.256 598 H LEU 82 HN LEU 82 11.237 -0.556 -1.592 599 HA LEU 82 HA LEU 82 12.955 -1.865 0.184 600 HB2 LEU 82 HB2 LEU 82 11.335 -2.988 -2.098 601 HB3 LEU 82 HB1 LEU 82 12.133 -3.968 -0.888 602 HG LEU 82 HG LEU 82 9.948 -1.969 -0.302 603 HD11 LEU 82 HD11 LEU 82 8.527 -3.922 0.031 604 HD12 LEU 82 HD12 LEU 82 9.843 -4.973 -0.487 605 HD13 LEU 82 HD13 LEU 82 9.119 -3.840 -1.627 606 HD21 LEU 82 HD21 LEU 82 9.894 -3.063 1.872 607 HD22 LEU 82 HD22 LEU 82 11.470 -2.339 1.552 608 HD23 LEU 82 HD23 LEU 82 11.251 -4.083 1.394 609 H ALA 83 HN ALA 83 13.171 -1.450 -3.292 610 HA ALA 83 HA ALA 83 15.334 -3.193 -3.748 611 HB1 ALA 83 HB1 ALA 83 13.881 -2.357 -5.542 612 HB2 ALA 83 HB2 ALA 83 15.584 -2.046 -5.885 613 HB3 ALA 83 HB3 ALA 83 14.546 -0.738 -5.319 614 H GLU 84 HN GLU 84 15.189 0.025 -2.506 615 HA GLU 84 HA GLU 84 18.068 0.401 -2.810 616 HB2 GLU 84 HB2 GLU 84 16.481 2.274 -3.295 617 HB3 GLU 84 HB1 GLU 84 15.995 2.251 -1.608 618 HG2 GLU 84 HG2 GLU 84 17.562 4.042 -1.997 619 HG3 GLU 84 HG1 GLU 84 18.294 2.822 -0.956 620 H ALA 85 HN ALA 85 15.613 -0.268 -0.442 621 HA ALA 85 HA ALA 85 16.840 0.353 1.937 622 HB1 ALA 85 HB1 ALA 85 14.479 -0.234 1.708 623 HB2 ALA 85 HB2 ALA 85 15.271 -1.152 2.989 624 HB3 ALA 85 HB3 ALA 85 14.933 -1.916 1.435 625 H ALA 86 HN ALA 86 18.741 -0.191 2.505 626 HA ALA 86 HA ALA 86 19.415 -2.902 3.059 627 HB1 ALA 86 HB1 ALA 86 20.205 -2.736 0.732 628 HB2 ALA 86 HB2 ALA 86 21.577 -2.797 1.840 629 HB3 ALA 86 HB3 ALA 86 21.085 -1.260 1.127 630 H28 SXV 87 H28A SXV 87 -3.913 11.713 2.214 631 H28A SXV 87 H28B SXV 87 -3.967 12.858 0.876 632 H30 SXV 87 H30C SXV 87 -4.426 13.574 4.435 633 H30A SXV 87 H30A SXV 87 -2.749 14.002 4.776 634 H30B SXV 87 H30B SXV 87 -3.171 12.334 4.391 635 H31 SXV 87 H31C SXV 87 -1.500 12.286 2.570 636 H31A SXV 87 H31A SXV 87 -1.053 13.969 2.866 637 H31B SXV 87 H31B SXV 87 -1.589 13.481 1.267 638 H32 SXV 87 H32A SXV 87 -4.439 15.421 2.701 639 HO33 SXV 87 H33A SXV 87 -4.281 15.666 0.647 640 HN36 SXV 87 H36A SXV 87 -2.373 17.048 1.339 641 H37 SXV 87 H37B SXV 87 -0.199 17.606 3.088 642 H37A SXV 87 H37A SXV 87 -1.541 18.695 3.434 643 H38 SXV 87 H38B SXV 87 -1.527 19.437 1.105 644 H38A SXV 87 H38A SXV 87 -0.165 18.365 0.792 645 HN41 SXV 87 H41A SXV 87 0.201 20.909 0.183 646 H42 SXV 87 H42B SXV 87 2.480 21.851 0.976 647 H42A SXV 87 H42A SXV 87 1.503 22.272 2.391 648 H43 SXV 87 H43B SXV 87 1.070 23.263 -0.411 649 H43A SXV 87 H43A SXV 87 -0.042 23.486 0.952 650 H1 SXV 87 H1B SXV 87 1.520 27.042 0.519 651 H1A SXV 87 H1A SXV 87 1.106 25.888 -0.767 652 H2 SXV 87 H2A SXV 87 -0.551 26.314 1.673 653 H2A SXV 87 H2B SXV 87 -0.906 25.239 0.321 654 H4 SXV 87 H4C SXV 87 -0.158 27.296 -1.996 655 H4A SXV 87 H4A SXV 87 -1.705 28.152 -1.981 656 H4B SXV 87 H4B SXV 87 -1.672 26.383 -1.955 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 21.854 -7.477 -5.135 2 H2 MET 1 HT2 MET 1 21.341 -5.938 -4.635 3 H3 MET 1 HT3 MET 1 20.455 -6.778 -5.812 4 HA MET 1 HA MET 1 19.799 -8.393 -4.246 5 HB2 MET 1 HB2 MET 1 21.228 -6.590 -2.269 6 HB3 MET 1 HB1 MET 1 20.147 -7.903 -1.834 7 HG2 MET 1 HG2 MET 1 21.684 -9.488 -2.909 8 HG3 MET 1 HG1 MET 1 22.777 -8.154 -3.268 9 HE1 MET 1 HE1 MET 1 21.735 -9.586 0.994 10 HE2 MET 1 HE2 MET 1 21.116 -10.339 -0.476 11 HE3 MET 1 HE3 MET 1 20.596 -8.713 -0.034 12 H ALA 2 HN ALA 2 17.750 -8.077 -3.638 13 HA ALA 2 HA ALA 2 16.733 -5.547 -2.834 14 HB1 ALA 2 HB1 ALA 2 15.189 -5.282 -4.733 15 HB2 ALA 2 HB2 ALA 2 15.967 -6.634 -5.554 16 HB3 ALA 2 HB3 ALA 2 16.870 -5.149 -5.254 17 H THR 3 HN THR 3 15.525 -6.343 -1.234 18 HA THR 3 HA THR 3 14.221 -8.891 -1.577 19 HB THR 3 HB THR 3 15.225 -8.456 0.603 20 HG1 THR 3 HG1 THR 3 13.174 -9.585 0.507 21 HG21 THR 3 HG21 THR 3 14.428 -6.680 2.132 22 HG22 THR 3 HG22 THR 3 13.391 -6.057 0.850 23 HG23 THR 3 HG23 THR 3 15.145 -6.009 0.665 24 H LEU 4 HN LEU 4 12.479 -8.864 -2.795 25 HA LEU 4 HA LEU 4 10.848 -6.432 -2.869 26 HB2 LEU 4 HB2 LEU 4 10.909 -8.763 -4.779 27 HB3 LEU 4 HB1 LEU 4 9.919 -7.332 -4.960 28 HG LEU 4 HG LEU 4 12.936 -7.409 -5.032 29 HD11 LEU 4 HD11 LEU 4 12.669 -6.835 -7.386 30 HD12 LEU 4 HD12 LEU 4 10.919 -6.962 -7.219 31 HD13 LEU 4 HD13 LEU 4 11.932 -8.391 -7.008 32 HD21 LEU 4 HD21 LEU 4 12.779 -5.053 -5.699 33 HD22 LEU 4 HD22 LEU 4 12.118 -5.312 -4.084 34 HD23 LEU 4 HD23 LEU 4 11.032 -5.102 -5.457 35 H LEU 5 HN LEU 5 8.552 -6.575 -2.847 36 HA LEU 5 HA LEU 5 7.599 -8.894 -1.342 37 HB2 LEU 5 HB2 LEU 5 6.130 -7.541 -0.116 38 HB3 LEU 5 HB1 LEU 5 7.606 -6.616 -0.165 39 HG LEU 5 HG LEU 5 5.181 -6.103 -1.884 40 HD11 LEU 5 HD11 LEU 5 6.129 -4.689 0.597 41 HD12 LEU 5 HD12 LEU 5 4.679 -5.683 0.440 42 HD13 LEU 5 HD13 LEU 5 4.802 -4.155 -0.434 43 HD21 LEU 5 HD21 LEU 5 7.102 -5.202 -3.000 44 HD22 LEU 5 HD22 LEU 5 7.710 -4.499 -1.499 45 HD23 LEU 5 HD23 LEU 5 6.244 -3.864 -2.245 46 H THR 6 HN THR 6 5.445 -9.586 -1.822 47 HA THR 6 HA THR 6 4.790 -9.187 -4.629 48 HB THR 6 HB THR 6 3.397 -11.196 -4.362 49 HG1 THR 6 HG1 THR 6 4.393 -11.279 -1.676 50 HG21 THR 6 HG21 THR 6 5.779 -11.477 -4.918 51 HG22 THR 6 HG22 THR 6 5.203 -12.813 -3.920 52 HG23 THR 6 HG23 THR 6 6.173 -11.527 -3.201 53 H THR 7 HN THR 7 2.136 -9.795 -4.719 54 HA THR 7 HA THR 7 0.896 -7.413 -3.709 55 HB THR 7 HB THR 7 -0.378 -9.793 -5.123 56 HG1 THR 7 HG1 THR 7 1.462 -8.411 -6.150 57 HG21 THR 7 HG21 THR 7 -1.259 -6.902 -4.895 58 HG22 THR 7 HG22 THR 7 -1.988 -8.265 -4.043 59 HG23 THR 7 HG23 THR 7 -2.096 -8.165 -5.801 60 H ASP 8 HN ASP 8 1.271 -10.706 -2.794 61 HA ASP 8 HA ASP 8 -0.863 -10.934 -0.928 62 HB2 ASP 8 HB2 ASP 8 0.126 -12.948 -1.820 63 HB3 ASP 8 HB1 ASP 8 1.734 -12.439 -1.333 64 H ASP 9 HN ASP 9 2.497 -10.045 -0.808 65 HA ASP 9 HA ASP 9 2.687 -9.571 1.980 66 HB2 ASP 9 HB2 ASP 9 4.294 -8.397 -0.298 67 HB3 ASP 9 HB1 ASP 9 4.672 -8.170 1.401 68 H LEU 10 HN LEU 10 1.976 -7.504 -0.766 69 HA LEU 10 HA LEU 10 1.680 -5.053 0.567 70 HB2 LEU 10 HB2 LEU 10 1.804 -5.284 -1.875 71 HB3 LEU 10 HB1 LEU 10 0.261 -6.108 -1.880 72 HG LEU 10 HG LEU 10 -0.802 -4.024 -1.042 73 HD11 LEU 10 HD11 LEU 10 1.911 -2.831 -1.541 74 HD12 LEU 10 HD12 LEU 10 1.115 -3.013 0.025 75 HD13 LEU 10 HD13 LEU 10 0.438 -1.928 -1.187 76 HD21 LEU 10 HD21 LEU 10 -0.691 -2.830 -3.180 77 HD22 LEU 10 HD22 LEU 10 -0.823 -4.574 -3.418 78 HD23 LEU 10 HD23 LEU 10 0.732 -3.769 -3.625 79 H ARG 11 HN ARG 11 -0.696 -7.531 -0.260 80 HA ARG 11 HA ARG 11 -2.994 -6.361 0.681 81 HB2 ARG 11 HB2 ARG 11 -3.044 -8.326 -0.686 82 HB3 ARG 11 HB1 ARG 11 -2.215 -9.265 0.544 83 HG2 ARG 11 HG2 ARG 11 -4.154 -9.183 1.970 84 HG3 ARG 11 HG1 ARG 11 -4.979 -8.100 0.844 85 HD2 ARG 11 HD2 ARG 11 -5.701 -10.460 0.636 86 HD3 ARG 11 HD1 ARG 11 -5.013 -9.805 -0.850 87 HE ARG 11 HE ARG 11 -3.280 -11.339 0.947 88 HH11 ARG 11 HH11 ARG 11 -4.980 -11.115 -2.155 89 HH12 ARG 11 HH12 ARG 11 -4.189 -12.463 -2.839 90 HH21 ARG 11 HH21 ARG 11 -2.127 -13.165 -0.063 91 HH22 ARG 11 HH22 ARG 11 -2.544 -13.634 -1.618 92 H ARG 12 HN ARG 12 -0.654 -8.289 2.506 93 HA ARG 12 HA ARG 12 -2.145 -8.539 4.870 94 HB2 ARG 12 HB2 ARG 12 0.829 -8.440 4.488 95 HB3 ARG 12 HB1 ARG 12 0.095 -8.662 6.068 96 HG2 ARG 12 HG2 ARG 12 -1.048 -10.653 5.202 97 HG3 ARG 12 HG1 ARG 12 -0.194 -10.438 3.674 98 HD2 ARG 12 HD2 ARG 12 1.947 -10.632 4.874 99 HD3 ARG 12 HD1 ARG 12 1.054 -10.929 6.375 100 HE ARG 12 HE ARG 12 0.447 -12.996 5.620 101 HH11 ARG 12 HH11 ARG 12 2.593 -11.416 3.301 102 HH12 ARG 12 HH12 ARG 12 2.383 -12.673 2.129 103 HH21 ARG 12 HH21 ARG 12 0.282 -14.714 3.985 104 HH22 ARG 12 HH22 ARG 12 1.132 -14.466 2.497 105 H ALA 13 HN ALA 13 0.094 -5.962 3.981 106 HA ALA 13 HA ALA 13 -0.190 -4.617 6.477 107 HB1 ALA 13 HB1 ALA 13 1.021 -2.790 5.431 108 HB2 ALA 13 HB2 ALA 13 0.821 -3.553 3.850 109 HB3 ALA 13 HB3 ALA 13 1.789 -4.340 5.093 110 H LEU 14 HN LEU 14 -1.858 -4.512 3.457 111 HA LEU 14 HA LEU 14 -3.270 -2.102 3.949 112 HB2 LEU 14 HB2 LEU 14 -2.919 -3.200 1.698 113 HB3 LEU 14 HB1 LEU 14 -4.077 -4.418 2.177 114 HG LEU 14 HG LEU 14 -5.846 -2.706 2.276 115 HD11 LEU 14 HD11 LEU 14 -5.408 -0.456 1.432 116 HD12 LEU 14 HD12 LEU 14 -3.692 -0.836 1.292 117 HD13 LEU 14 HD13 LEU 14 -4.457 -0.787 2.880 118 HD21 LEU 14 HD21 LEU 14 -5.981 -2.266 -0.123 119 HD22 LEU 14 HD22 LEU 14 -5.451 -3.917 0.193 120 HD23 LEU 14 HD23 LEU 14 -4.280 -2.696 -0.299 121 H VAL 15 HN VAL 15 -3.886 -5.527 4.554 122 HA VAL 15 HA VAL 15 -6.478 -5.157 5.636 123 HB VAL 15 HB VAL 15 -4.576 -7.511 6.024 124 HG11 VAL 15 HG11 VAL 15 -6.267 -7.484 7.791 125 HG12 VAL 15 HG12 VAL 15 -6.554 -8.813 6.666 126 HG13 VAL 15 HG13 VAL 15 -7.540 -7.354 6.581 127 HG21 VAL 15 HG21 VAL 15 -5.189 -7.155 3.703 128 HG22 VAL 15 HG22 VAL 15 -6.896 -7.138 4.144 129 HG23 VAL 15 HG23 VAL 15 -5.952 -8.617 4.332 130 H GLU 16 HN GLU 16 -3.317 -4.803 6.952 131 HA GLU 16 HA GLU 16 -4.042 -4.892 9.689 132 HB2 GLU 16 HB2 GLU 16 -1.703 -3.498 8.348 133 HB3 GLU 16 HB1 GLU 16 -1.929 -3.610 10.086 134 HG2 GLU 16 HG2 GLU 16 -1.798 -6.014 9.991 135 HG3 GLU 16 HG1 GLU 16 -1.677 -5.958 8.236 136 H SER 17 HN SER 17 -4.151 -2.389 7.272 137 HA SER 17 HA SER 17 -4.991 -0.443 9.244 138 HB2 SER 17 HB2 SER 17 -3.566 0.215 7.287 139 HB3 SER 17 HB1 SER 17 -4.915 -0.176 6.221 140 HG SER 17 HG SER 17 -5.010 1.657 8.359 141 H ALA 18 HN ALA 18 -6.349 -2.536 6.794 142 HA ALA 18 HA ALA 18 -8.947 -1.490 6.730 143 HB1 ALA 18 HB1 ALA 18 -8.109 -4.343 6.258 144 HB2 ALA 18 HB2 ALA 18 -8.073 -3.058 5.050 145 HB3 ALA 18 HB3 ALA 18 -9.611 -3.589 5.727 146 H GLY 19 HN GLY 19 -7.572 -4.157 8.639 147 HA2 GLY 19 HA2 GLY 19 -8.164 -4.974 10.688 148 HA3 GLY 19 HA1 GLY 19 -9.214 -3.575 10.892 149 H GLU 20 HN GLU 20 -11.311 -3.742 10.522 150 HA GLU 20 HA GLU 20 -12.483 -6.355 10.265 151 HB2 GLU 20 HB2 GLU 20 -13.329 -4.331 11.648 152 HB3 GLU 20 HB1 GLU 20 -13.902 -3.688 10.120 153 HG2 GLU 20 HG2 GLU 20 -15.674 -4.792 11.335 154 HG3 GLU 20 HG1 GLU 20 -15.320 -5.643 9.829 155 H THR 21 HN THR 21 -12.105 -7.179 8.208 156 HA THR 21 HA THR 21 -12.339 -5.319 5.979 157 HB THR 21 HB THR 21 -10.874 -7.946 5.987 158 HG1 THR 21 HG1 THR 21 -10.105 -6.455 7.641 159 HG21 THR 21 HG21 THR 21 -9.605 -6.881 4.157 160 HG22 THR 21 HG22 THR 21 -10.582 -5.424 4.327 161 HG23 THR 21 HG23 THR 21 -11.329 -6.928 3.785 162 H ASP 22 HN ASP 22 -14.724 -5.901 6.369 163 HA ASP 22 HA ASP 22 -15.341 -7.966 4.387 164 HB2 ASP 22 HB2 ASP 22 -17.505 -8.408 5.438 165 HB3 ASP 22 HB1 ASP 22 -16.225 -8.688 6.606 166 H GLY 23 HN GLY 23 -16.973 -7.415 2.925 167 HA2 GLY 23 HA2 GLY 23 -18.291 -5.853 1.754 168 HA3 GLY 23 HA1 GLY 23 -17.746 -4.584 2.866 169 H THR 24 HN THR 24 -15.181 -4.797 2.930 170 HA THR 24 HA THR 24 -14.162 -3.950 0.393 171 HB THR 24 HB THR 24 -12.598 -4.565 2.909 172 HG1 THR 24 HG1 THR 24 -13.411 -2.893 3.872 173 HG21 THR 24 HG21 THR 24 -12.261 -2.470 0.742 174 HG22 THR 24 HG22 THR 24 -11.315 -3.951 0.895 175 HG23 THR 24 HG23 THR 24 -11.195 -2.699 2.130 176 H ASP 25 HN ASP 25 -14.683 -6.141 -0.630 177 HA ASP 25 HA ASP 25 -13.267 -8.483 0.194 178 HB2 ASP 25 HB2 ASP 25 -15.334 -8.473 -1.303 179 HB3 ASP 25 HB1 ASP 25 -14.299 -7.889 -2.602 180 H LEU 26 HN LEU 26 -11.171 -8.726 0.094 181 HA LEU 26 HA LEU 26 -9.673 -7.152 -1.898 182 HB2 LEU 26 HB2 LEU 26 -9.683 -6.205 0.407 183 HB3 LEU 26 HB1 LEU 26 -8.910 -7.668 0.967 184 HG LEU 26 HG LEU 26 -6.996 -7.136 -0.555 185 HD11 LEU 26 HD11 LEU 26 -8.158 -5.652 -2.088 186 HD12 LEU 26 HD12 LEU 26 -6.789 -4.827 -1.339 187 HD13 LEU 26 HD13 LEU 26 -8.429 -4.491 -0.787 188 HD21 LEU 26 HD21 LEU 26 -6.917 -6.703 1.835 189 HD22 LEU 26 HD22 LEU 26 -7.682 -5.131 1.588 190 HD23 LEU 26 HD23 LEU 26 -6.068 -5.438 0.947 191 H SER 27 HN SER 27 -10.385 -10.204 -0.736 192 HA SER 27 HA SER 27 -7.757 -11.294 -1.031 193 HB2 SER 27 HB2 SER 27 -9.451 -12.207 0.592 194 HB3 SER 27 HB1 SER 27 -10.391 -12.772 -0.787 195 HG SER 27 HG SER 27 -8.736 -14.176 0.376 196 H GLY 28 HN GLY 28 -7.088 -10.917 -3.059 197 HA2 GLY 28 HA2 GLY 28 -7.426 -12.726 -5.024 198 HA3 GLY 28 HA1 GLY 28 -8.637 -11.485 -5.364 199 H ASP 29 HN ASP 29 -7.741 -10.559 -7.100 200 HA ASP 29 HA ASP 29 -5.067 -9.399 -6.737 201 HB2 ASP 29 HB2 ASP 29 -5.179 -11.057 -8.595 202 HB3 ASP 29 HB1 ASP 29 -6.449 -10.093 -9.344 203 H PHE 30 HN PHE 30 -5.139 -7.324 -6.445 204 HA PHE 30 HA PHE 30 -7.542 -5.860 -7.319 205 HB2 PHE 30 HB2 PHE 30 -7.403 -4.626 -5.145 206 HB3 PHE 30 HB1 PHE 30 -7.811 -6.329 -5.000 207 HD1 PHE 30 HD2 PHE 30 -6.240 -7.896 -3.971 208 HD2 PHE 30 HD1 PHE 30 -5.280 -3.765 -4.333 209 HE1 PHE 30 HE2 PHE 30 -4.398 -8.186 -2.367 210 HE2 PHE 30 HE1 PHE 30 -3.437 -4.051 -2.732 211 HZ PHE 30 HZ PHE 30 -3.011 -6.280 -1.733 212 H LEU 31 HN LEU 31 -4.722 -5.934 -8.431 213 HA LEU 31 HA LEU 31 -3.580 -3.415 -7.634 214 HB2 LEU 31 HB2 LEU 31 -2.828 -5.257 -9.890 215 HB3 LEU 31 HB1 LEU 31 -1.926 -3.826 -9.431 216 HG LEU 31 HG LEU 31 -2.342 -6.276 -7.722 217 HD11 LEU 31 HD11 LEU 31 -0.811 -6.647 -9.563 218 HD12 LEU 31 HD12 LEU 31 0.052 -6.593 -8.025 219 HD13 LEU 31 HD13 LEU 31 0.100 -5.207 -9.114 220 HD21 LEU 31 HD21 LEU 31 -0.742 -3.772 -7.187 221 HD22 LEU 31 HD22 LEU 31 -0.772 -5.213 -6.174 222 HD23 LEU 31 HD23 LEU 31 -2.231 -4.241 -6.368 223 H ASP 32 HN ASP 32 -5.898 -4.332 -9.914 224 HA ASP 32 HA ASP 32 -5.420 -2.129 -11.736 225 HB2 ASP 32 HB2 ASP 32 -7.295 -3.074 -13.012 226 HB3 ASP 32 HB1 ASP 32 -6.038 -4.263 -12.684 227 H LEU 33 HN LEU 33 -7.199 -2.562 -8.892 228 HA LEU 33 HA LEU 33 -9.256 -0.731 -9.774 229 HB2 LEU 33 HB2 LEU 33 -10.331 -1.125 -7.540 230 HB3 LEU 33 HB1 LEU 33 -10.232 -2.514 -8.592 231 HG LEU 33 HG LEU 33 -8.249 -3.273 -7.190 232 HD11 LEU 33 HD11 LEU 33 -7.684 -1.175 -6.111 233 HD12 LEU 33 HD12 LEU 33 -8.076 -2.413 -4.917 234 HD13 LEU 33 HD13 LEU 33 -9.250 -1.155 -5.302 235 HD21 LEU 33 HD21 LEU 33 -9.674 -4.176 -5.426 236 HD22 LEU 33 HD22 LEU 33 -10.442 -4.280 -7.011 237 HD23 LEU 33 HD23 LEU 33 -10.940 -3.029 -5.868 238 H ARG 34 HN ARG 34 -9.966 0.917 -8.026 239 HA ARG 34 HA ARG 34 -7.576 2.480 -7.406 240 HB2 ARG 34 HB2 ARG 34 -10.478 3.190 -7.795 241 HB3 ARG 34 HB1 ARG 34 -9.272 4.331 -7.229 242 HG2 ARG 34 HG2 ARG 34 -9.112 2.878 -9.852 243 HG3 ARG 34 HG1 ARG 34 -9.822 4.480 -9.652 244 HD2 ARG 34 HD2 ARG 34 -6.991 3.737 -8.933 245 HD3 ARG 34 HD1 ARG 34 -7.478 4.547 -10.425 246 HE ARG 34 HE ARG 34 -7.923 5.687 -7.751 247 HH11 ARG 34 HH11 ARG 34 -6.690 6.016 -11.066 248 HH12 ARG 34 HH12 ARG 34 -6.633 7.716 -11.024 249 HH21 ARG 34 HH21 ARG 34 -7.806 8.036 -7.675 250 HH22 ARG 34 HH22 ARG 34 -7.245 8.895 -9.017 251 H PHE 35 HN PHE 35 -7.726 3.692 -5.354 252 HA PHE 35 HA PHE 35 -8.643 1.980 -3.267 253 HB2 PHE 35 HB2 PHE 35 -7.484 4.771 -3.180 254 HB3 PHE 35 HB1 PHE 35 -7.892 3.833 -1.744 255 HD1 PHE 35 HD2 PHE 35 -6.836 1.463 -1.612 256 HD2 PHE 35 HD1 PHE 35 -5.350 4.615 -4.049 257 HE1 PHE 35 HE2 PHE 35 -4.639 0.361 -1.687 258 HE2 PHE 35 HE1 PHE 35 -3.157 3.511 -4.137 259 HZ PHE 35 HZ PHE 35 -2.797 1.386 -2.951 260 H GLU 36 HN GLU 36 -9.895 4.490 -5.070 261 HA GLU 36 HA GLU 36 -12.026 5.488 -3.572 262 HB2 GLU 36 HB2 GLU 36 -11.256 6.259 -5.841 263 HB3 GLU 36 HB1 GLU 36 -11.978 4.818 -6.531 264 HG2 GLU 36 HG2 GLU 36 -13.456 6.635 -6.902 265 HG3 GLU 36 HG1 GLU 36 -14.180 5.606 -5.669 266 H ASP 37 HN ASP 37 -11.708 2.550 -5.568 267 HA ASP 37 HA ASP 37 -14.375 1.640 -5.430 268 HB2 ASP 37 HB2 ASP 37 -11.829 0.059 -5.864 269 HB3 ASP 37 HB1 ASP 37 -13.449 -0.580 -6.075 270 H ILE 38 HN ILE 38 -11.624 1.220 -3.350 271 HA ILE 38 HA ILE 38 -13.202 -0.629 -1.752 272 HB ILE 38 HB ILE 38 -11.050 -1.250 -0.603 273 HG12 ILE 38 HG12 ILE 38 -9.839 0.293 -2.926 274 HG13 ILE 38 HG11 ILE 38 -9.752 0.763 -1.237 275 HG21 ILE 38 HG21 ILE 38 -12.092 -2.637 -2.273 276 HG22 ILE 38 HG22 ILE 38 -10.333 -2.686 -2.485 277 HG23 ILE 38 HG23 ILE 38 -11.338 -1.691 -3.555 278 HD11 ILE 38 HD11 ILE 38 -8.436 -1.244 -0.753 279 HD12 ILE 38 HD12 ILE 38 -7.672 -0.238 -1.983 280 HD13 ILE 38 HD13 ILE 38 -8.527 -1.708 -2.454 281 H GLY 39 HN GLY 39 -13.129 2.362 -1.778 282 HA2 GLY 39 HA2 GLY 39 -13.767 3.967 -0.253 283 HA3 GLY 39 HA1 GLY 39 -14.036 2.658 0.875 284 H TYR 40 HN TYR 40 -10.945 3.560 -0.563 285 HA TYR 40 HA TYR 40 -9.992 4.267 2.116 286 HB2 TYR 40 HB2 TYR 40 -8.582 3.217 -0.318 287 HB3 TYR 40 HB1 TYR 40 -7.690 4.090 0.914 288 HD1 TYR 40 HD2 TYR 40 -9.996 1.180 0.522 289 HD2 TYR 40 HD1 TYR 40 -6.785 2.920 2.682 290 HE1 TYR 40 HE2 TYR 40 -9.717 -0.910 1.780 291 HE2 TYR 40 HE1 TYR 40 -6.490 0.849 3.946 292 HH TYR 40 HH TYR 40 -7.674 -1.129 4.532 293 H ASP 41 HN ASP 41 -9.417 6.229 2.532 294 HA ASP 41 HA ASP 41 -9.782 8.254 0.451 295 HB2 ASP 41 HB2 ASP 41 -9.334 8.692 3.410 296 HB3 ASP 41 HB1 ASP 41 -9.852 9.885 2.235 297 H SER 42 HN SER 42 -7.530 8.031 3.211 298 HA SER 42 HA SER 42 -5.181 8.378 1.605 299 HB2 SER 42 HB2 SER 42 -6.164 10.637 1.390 300 HB3 SER 42 HB1 SER 42 -6.179 10.783 3.150 301 H LEU 43 HN LEU 43 -6.624 9.148 4.721 302 HA LEU 43 HA LEU 43 -4.366 9.034 6.339 303 HB2 LEU 43 HB2 LEU 43 -7.226 8.413 7.055 304 HB3 LEU 43 HB1 LEU 43 -5.954 8.832 8.190 305 HG LEU 43 HG LEU 43 -6.952 10.671 6.012 306 HD11 LEU 43 HD11 LEU 43 -7.556 10.663 8.949 307 HD12 LEU 43 HD12 LEU 43 -8.694 10.292 7.636 308 HD13 LEU 43 HD13 LEU 43 -7.996 11.914 7.783 309 HD21 LEU 43 HD21 LEU 43 -5.735 12.379 7.246 310 HD22 LEU 43 HD22 LEU 43 -4.664 11.094 6.688 311 HD23 LEU 43 HD23 LEU 43 -5.165 11.154 8.378 312 H ALA 44 HN ALA 44 -6.678 6.528 5.497 313 HA ALA 44 HA ALA 44 -5.533 4.477 7.084 314 HB1 ALA 44 HB1 ALA 44 -6.911 2.954 5.746 315 HB2 ALA 44 HB2 ALA 44 -7.241 4.256 4.601 316 HB3 ALA 44 HB3 ALA 44 -7.835 4.366 6.259 317 H LEU 45 HN LEU 45 -4.906 5.716 3.902 318 HA LEU 45 HA LEU 45 -3.331 3.520 3.034 319 HB2 LEU 45 HB2 LEU 45 -3.480 6.365 2.033 320 HB3 LEU 45 HB1 LEU 45 -2.585 5.085 1.237 321 HG LEU 45 HG LEU 45 -5.573 5.102 1.668 322 HD11 LEU 45 HD11 LEU 45 -5.704 5.452 -0.746 323 HD12 LEU 45 HD12 LEU 45 -3.944 5.571 -0.824 324 HD13 LEU 45 HD13 LEU 45 -4.873 6.789 0.048 325 HD21 LEU 45 HD21 LEU 45 -4.630 2.864 1.640 326 HD22 LEU 45 HD22 LEU 45 -3.788 3.228 0.131 327 HD23 LEU 45 HD23 LEU 45 -5.548 3.178 0.168 328 H MET 46 HN MET 46 -2.716 6.550 4.680 329 HA MET 46 HA MET 46 0.120 6.458 4.618 330 HB2 MET 46 HB2 MET 46 -1.597 7.618 6.824 331 HB3 MET 46 HB1 MET 46 0.090 7.975 6.527 332 HG2 MET 46 HG2 MET 46 -0.539 9.098 4.416 333 HG3 MET 46 HG1 MET 46 -2.237 8.748 4.763 334 HE1 MET 46 HE1 MET 46 -1.834 9.058 8.074 335 HE2 MET 46 HE2 MET 46 -3.309 9.518 7.218 336 HE3 MET 46 HE3 MET 46 -2.505 10.678 8.276 337 H GLU 47 HN GLU 47 -2.295 5.284 6.896 338 HA GLU 47 HA GLU 47 -0.535 4.143 8.759 339 HB2 GLU 47 HB2 GLU 47 -2.878 4.569 9.265 340 HB3 GLU 47 HB1 GLU 47 -3.378 3.401 8.056 341 HG2 GLU 47 HG2 GLU 47 -2.449 1.599 9.353 342 HG3 GLU 47 HG1 GLU 47 -1.800 2.746 10.529 343 H THR 48 HN THR 48 -2.063 2.832 5.889 344 HA THR 48 HA THR 48 -1.127 0.203 5.982 345 HB THR 48 HB THR 48 -1.499 1.981 3.541 346 HG1 THR 48 HG1 THR 48 -3.411 1.777 4.891 347 HG21 THR 48 HG21 THR 48 -1.881 -0.129 2.324 348 HG22 THR 48 HG22 THR 48 -1.527 -1.037 3.794 349 HG23 THR 48 HG23 THR 48 -0.263 -0.076 3.025 350 H ALA 49 HN ALA 49 0.308 3.093 4.440 351 HA ALA 49 HA ALA 49 2.696 1.948 3.603 352 HB1 ALA 49 HB1 ALA 49 2.219 4.820 4.398 353 HB2 ALA 49 HB2 ALA 49 1.881 4.117 2.814 354 HB3 ALA 49 HB3 ALA 49 3.541 4.214 3.394 355 H ALA 50 HN ALA 50 1.893 3.477 6.697 356 HA ALA 50 HA ALA 50 4.434 3.438 7.865 357 HB1 ALA 50 HB1 ALA 50 2.506 4.599 8.848 358 HB2 ALA 50 HB2 ALA 50 3.282 3.527 10.018 359 HB3 ALA 50 HB3 ALA 50 1.775 3.042 9.240 360 H ARG 51 HN ARG 51 1.934 0.955 7.817 361 HA ARG 51 HA ARG 51 3.281 -1.017 9.335 362 HB2 ARG 51 HB2 ARG 51 1.164 -1.223 7.192 363 HB3 ARG 51 HB1 ARG 51 1.778 -2.627 8.047 364 HG2 ARG 51 HG2 ARG 51 0.564 -0.281 9.487 365 HG3 ARG 51 HG1 ARG 51 -0.402 -1.620 8.866 366 HD2 ARG 51 HD2 ARG 51 0.142 -1.938 11.231 367 HD3 ARG 51 HD1 ARG 51 0.856 -3.195 10.228 368 HE ARG 51 HE ARG 51 2.343 -0.889 11.287 369 HH11 ARG 51 HH11 ARG 51 2.103 -4.366 10.588 370 HH12 ARG 51 HH12 ARG 51 3.671 -4.745 11.152 371 HH21 ARG 51 HH21 ARG 51 4.507 -1.417 12.066 372 HH22 ARG 51 HH22 ARG 51 5.065 -3.040 12.011 373 H LEU 52 HN LEU 52 3.092 -0.416 5.921 374 HA LEU 52 HA LEU 52 4.745 -2.447 4.969 375 HB2 LEU 52 HB2 LEU 52 4.193 0.310 3.901 376 HB3 LEU 52 HB1 LEU 52 5.058 -0.926 3.003 377 HG LEU 52 HG LEU 52 2.279 -1.421 4.040 378 HD11 LEU 52 HD11 LEU 52 3.058 -0.209 1.397 379 HD12 LEU 52 HD12 LEU 52 2.167 0.598 2.690 380 HD13 LEU 52 HD13 LEU 52 1.446 -0.769 1.840 381 HD21 LEU 52 HD21 LEU 52 3.587 -3.348 3.318 382 HD22 LEU 52 HD22 LEU 52 3.890 -2.573 1.763 383 HD23 LEU 52 HD23 LEU 52 2.250 -3.044 2.209 384 H GLU 53 HN GLU 53 5.566 0.851 6.015 385 HA GLU 53 HA GLU 53 8.265 0.834 5.378 386 HB2 GLU 53 HB2 GLU 53 6.970 2.130 7.770 387 HB3 GLU 53 HB1 GLU 53 8.608 2.422 7.246 388 HG2 GLU 53 HG2 GLU 53 7.699 3.348 5.152 389 HG3 GLU 53 HG1 GLU 53 6.076 3.164 5.841 390 H SER 54 HN SER 54 6.725 0.201 8.475 391 HA SER 54 HA SER 54 9.015 -0.328 9.928 392 HB2 SER 54 HB2 SER 54 6.836 0.291 10.890 393 HB3 SER 54 HB1 SER 54 6.211 -1.297 10.461 394 HG SER 54 HG SER 54 8.332 -0.697 12.222 395 H ARG 55 HN ARG 55 6.914 -2.570 8.175 396 HA ARG 55 HA ARG 55 8.323 -4.820 9.247 397 HB2 ARG 55 HB2 ARG 55 5.986 -5.082 8.767 398 HB3 ARG 55 HB1 ARG 55 6.238 -4.666 7.078 399 HG2 ARG 55 HG2 ARG 55 7.509 -6.693 6.723 400 HG3 ARG 55 HG1 ARG 55 7.402 -7.088 8.439 401 HD2 ARG 55 HD2 ARG 55 5.052 -6.824 6.571 402 HD3 ARG 55 HD1 ARG 55 5.792 -8.350 7.056 403 HE ARG 55 HE ARG 55 5.132 -7.843 9.329 404 HH11 ARG 55 HH11 ARG 55 3.475 -6.035 6.752 405 HH12 ARG 55 HH12 ARG 55 2.106 -5.714 7.743 406 HH21 ARG 55 HH21 ARG 55 3.218 -7.391 10.595 407 HH22 ARG 55 HH22 ARG 55 1.946 -6.487 9.897 408 H TYR 56 HN TYR 56 8.201 -3.304 6.010 409 HA TYR 56 HA TYR 56 10.067 -5.321 5.101 410 HB2 TYR 56 HB2 TYR 56 8.750 -3.090 3.541 411 HB3 TYR 56 HB1 TYR 56 9.709 -4.401 2.847 412 HD1 TYR 56 HD2 TYR 56 8.899 -6.772 3.137 413 HD2 TYR 56 HD1 TYR 56 6.453 -3.418 4.034 414 HE1 TYR 56 HE2 TYR 56 6.928 -8.186 2.944 415 HE2 TYR 56 HE1 TYR 56 4.450 -4.822 3.834 416 HH TYR 56 HH TYR 56 4.550 -8.226 3.688 417 H GLY 57 HN GLY 57 10.313 -2.253 6.422 418 HA2 GLY 57 HA2 GLY 57 12.359 -1.363 7.107 419 HA3 GLY 57 HA1 GLY 57 13.170 -2.346 5.898 420 H VAL 58 HN VAL 58 10.458 -0.650 4.820 421 HA VAL 58 HA VAL 58 12.207 1.158 3.341 422 HB VAL 58 HB VAL 58 10.254 1.694 1.911 423 HG11 VAL 58 HG11 VAL 58 10.025 -0.440 0.801 424 HG12 VAL 58 HG12 VAL 58 10.692 -1.251 2.213 425 HG13 VAL 58 HG13 VAL 58 11.704 -0.138 1.268 426 HG21 VAL 58 HG21 VAL 58 8.462 1.367 3.535 427 HG22 VAL 58 HG22 VAL 58 8.799 -0.368 3.553 428 HG23 VAL 58 HG23 VAL 58 8.191 0.392 2.085 429 H SER 59 HN SER 59 11.133 3.384 2.914 430 HA SER 59 HA SER 59 9.511 4.189 5.161 431 HB2 SER 59 HB2 SER 59 11.907 4.811 5.690 432 HB3 SER 59 HB1 SER 59 11.873 5.871 4.279 433 HG SER 59 HG SER 59 9.818 6.074 6.157 434 H ILE 60 HN ILE 60 7.860 5.175 4.545 435 HA ILE 60 HA ILE 60 7.747 6.552 1.957 436 HB ILE 60 HB ILE 60 5.620 4.706 3.111 437 HG12 ILE 60 HG12 ILE 60 7.287 4.396 0.600 438 HG13 ILE 60 HG11 ILE 60 7.558 3.520 2.102 439 HG21 ILE 60 HG21 ILE 60 4.623 6.619 1.971 440 HG22 ILE 60 HG22 ILE 60 4.374 5.145 1.033 441 HG23 ILE 60 HG23 ILE 60 5.609 6.303 0.544 442 HD11 ILE 60 HD11 ILE 60 5.373 2.460 1.863 443 HD12 ILE 60 HD12 ILE 60 6.421 2.159 0.476 444 HD13 ILE 60 HD13 ILE 60 5.116 3.346 0.355 445 HA PRO 61 HA PRO 61 6.419 9.668 4.922 446 HB2 PRO 61 HB2 PRO 61 5.865 11.202 2.459 447 HB3 PRO 61 HB1 PRO 61 6.919 11.608 3.819 448 HG2 PRO 61 HG2 PRO 61 7.918 10.898 1.443 449 HG3 PRO 61 HG1 PRO 61 8.703 10.425 2.962 450 HD2 PRO 61 HD2 PRO 61 6.972 8.811 1.134 451 HD3 PRO 61 HD1 PRO 61 8.445 8.330 2.005 452 H ASP 62 HN ASP 62 4.472 10.134 5.734 453 HA ASP 62 HA ASP 62 2.108 8.899 5.034 454 HB2 ASP 62 HB2 ASP 62 2.486 11.511 6.530 455 HB3 ASP 62 HB1 ASP 62 0.971 10.633 6.456 456 H ASP 63 HN ASP 63 3.193 12.132 4.231 457 HA ASP 63 HA ASP 63 0.987 13.266 3.018 458 HB2 ASP 63 HB2 ASP 63 3.883 13.670 2.278 459 HB3 ASP 63 HB1 ASP 63 2.559 14.774 1.939 460 H VAL 64 HN VAL 64 3.041 10.807 1.753 461 HA VAL 64 HA VAL 64 2.481 11.379 -1.044 462 HB VAL 64 HB VAL 64 3.933 9.115 0.277 463 HG11 VAL 64 HG11 VAL 64 3.950 9.980 -2.640 464 HG12 VAL 64 HG12 VAL 64 3.230 8.500 -2.002 465 HG13 VAL 64 HG13 VAL 64 4.978 8.716 -1.963 466 HG21 VAL 64 HG21 VAL 64 6.006 10.284 -0.413 467 HG22 VAL 64 HG22 VAL 64 5.038 11.191 0.746 468 HG23 VAL 64 HG23 VAL 64 5.019 11.638 -0.961 469 H ALA 65 HN ALA 65 1.101 9.543 1.479 470 HA ALA 65 HA ALA 65 0.408 7.233 0.031 471 HB1 ALA 65 HB1 ALA 65 -0.800 8.220 2.584 472 HB2 ALA 65 HB2 ALA 65 0.681 7.273 2.441 473 HB3 ALA 65 HB3 ALA 65 -0.864 6.578 1.943 474 H GLY 66 HN GLY 66 -1.233 10.289 0.240 475 HA2 GLY 66 HA2 GLY 66 -3.728 9.090 -0.655 476 HA3 GLY 66 HA1 GLY 66 -3.448 10.792 -0.313 477 H ARG 67 HN ARG 67 -0.932 9.816 -2.165 478 HA ARG 67 HA ARG 67 -2.050 11.114 -4.526 479 HB2 ARG 67 HB2 ARG 67 0.742 10.095 -4.021 480 HB3 ARG 67 HB1 ARG 67 0.233 11.107 -5.363 481 HG2 ARG 67 HG2 ARG 67 -0.242 12.929 -3.837 482 HG3 ARG 67 HG1 ARG 67 0.183 11.901 -2.461 483 HD2 ARG 67 HD2 ARG 67 2.437 11.626 -3.428 484 HD3 ARG 67 HD1 ARG 67 1.997 12.756 -4.703 485 HE ARG 67 HE ARG 67 1.499 14.155 -2.465 486 HH11 ARG 67 HH11 ARG 67 4.342 12.395 -3.698 487 HH12 ARG 67 HH12 ARG 67 5.478 13.314 -2.852 488 HH21 ARG 67 HH21 ARG 67 3.108 15.441 -1.234 489 HH22 ARG 67 HH22 ARG 67 4.766 15.111 -1.480 490 H VAL 68 HN VAL 68 -1.063 7.999 -3.414 491 HA VAL 68 HA VAL 68 -0.630 6.773 -5.898 492 HB VAL 68 HB VAL 68 -0.797 4.597 -4.690 493 HG11 VAL 68 HG11 VAL 68 0.873 6.712 -3.345 494 HG12 VAL 68 HG12 VAL 68 1.307 5.793 -4.784 495 HG13 VAL 68 HG13 VAL 68 1.138 4.972 -3.229 496 HG21 VAL 68 HG21 VAL 68 -2.520 5.178 -3.053 497 HG22 VAL 68 HG22 VAL 68 -1.422 6.326 -2.290 498 HG23 VAL 68 HG23 VAL 68 -1.062 4.597 -2.249 499 H ASP 69 HN ASP 69 -1.875 6.324 -7.383 500 HA ASP 69 HA ASP 69 -4.694 6.628 -7.279 501 HB2 ASP 69 HB2 ASP 69 -3.028 5.416 -9.502 502 HB3 ASP 69 HB1 ASP 69 -4.654 6.070 -9.642 503 H THR 70 HN THR 70 -2.711 3.816 -8.178 504 HA THR 70 HA THR 70 -4.916 2.054 -7.390 505 HB THR 70 HB THR 70 -3.738 0.420 -8.864 506 HG1 THR 70 HG1 THR 70 -2.331 2.399 -10.191 507 HG21 THR 70 HG21 THR 70 -5.634 1.726 -9.730 508 HG22 THR 70 HG22 THR 70 -4.436 1.447 -10.993 509 HG23 THR 70 HG23 THR 70 -4.532 3.021 -10.199 510 HA PRO 71 HA PRO 71 -2.212 0.108 -4.341 511 HB2 PRO 71 HB2 PRO 71 -2.960 -2.488 -5.604 512 HB3 PRO 71 HB1 PRO 71 -3.082 -1.995 -3.910 513 HG2 PRO 71 HG2 PRO 71 -5.265 -2.142 -5.380 514 HG3 PRO 71 HG1 PRO 71 -5.033 -0.770 -4.275 515 HD2 PRO 71 HD2 PRO 71 -4.634 -0.895 -7.244 516 HD3 PRO 71 HD1 PRO 71 -5.426 0.364 -6.270 517 H ARG 72 HN ARG 72 -2.071 -0.714 -7.735 518 HA ARG 72 HA ARG 72 0.477 -1.942 -7.699 519 HB2 ARG 72 HB2 ARG 72 -0.756 -2.393 -9.646 520 HB3 ARG 72 HB1 ARG 72 -1.176 -0.703 -9.885 521 HG2 ARG 72 HG2 ARG 72 0.969 -0.183 -10.728 522 HG3 ARG 72 HG1 ARG 72 1.653 -1.695 -10.140 523 HD2 ARG 72 HD2 ARG 72 -0.521 -1.591 -12.209 524 HD3 ARG 72 HD1 ARG 72 1.196 -1.540 -12.625 525 HE ARG 72 HE ARG 72 1.122 -3.660 -11.062 526 HH11 ARG 72 HH11 ARG 72 -1.107 -2.808 -13.720 527 HH12 ARG 72 HH12 ARG 72 -1.250 -4.405 -14.292 528 HH21 ARG 72 HH21 ARG 72 0.854 -5.873 -11.808 529 HH22 ARG 72 HH22 ARG 72 -0.198 -6.200 -13.118 530 H GLU 73 HN GLU 73 -0.576 1.392 -8.125 531 HA GLU 73 HA GLU 73 1.958 2.506 -8.612 532 HB2 GLU 73 HB2 GLU 73 -0.231 3.698 -8.888 533 HB3 GLU 73 HB1 GLU 73 -0.371 3.767 -7.138 534 HG2 GLU 73 HG2 GLU 73 0.396 5.879 -7.891 535 HG3 GLU 73 HG1 GLU 73 1.744 5.074 -7.091 536 H LEU 74 HN LEU 74 0.162 1.927 -5.649 537 HA LEU 74 HA LEU 74 2.033 2.977 -3.826 538 HB2 LEU 74 HB2 LEU 74 -0.408 2.501 -3.410 539 HB3 LEU 74 HB1 LEU 74 -0.034 0.800 -3.375 540 HG LEU 74 HG LEU 74 -0.452 1.820 -1.145 541 HD11 LEU 74 HD11 LEU 74 0.825 -0.206 -1.252 542 HD12 LEU 74 HD12 LEU 74 1.426 0.838 0.039 543 HD13 LEU 74 HD13 LEU 74 2.311 0.716 -1.484 544 HD21 LEU 74 HD21 LEU 74 1.276 3.225 -0.115 545 HD22 LEU 74 HD22 LEU 74 0.503 4.006 -1.493 546 HD23 LEU 74 HD23 LEU 74 2.112 3.312 -1.667 547 H LEU 75 HN LEU 75 1.533 -0.316 -5.048 548 HA LEU 75 HA LEU 75 3.502 -1.622 -3.537 549 HB2 LEU 75 HB2 LEU 75 1.693 -2.754 -4.771 550 HB3 LEU 75 HB1 LEU 75 2.429 -2.283 -6.285 551 HG LEU 75 HG LEU 75 4.380 -3.714 -5.755 552 HD11 LEU 75 HD11 LEU 75 4.252 -5.306 -3.935 553 HD12 LEU 75 HD12 LEU 75 2.739 -4.580 -3.383 554 HD13 LEU 75 HD13 LEU 75 4.242 -3.652 -3.332 555 HD21 LEU 75 HD21 LEU 75 2.549 -4.577 -7.114 556 HD22 LEU 75 HD22 LEU 75 1.714 -5.115 -5.655 557 HD23 LEU 75 HD23 LEU 75 3.253 -5.845 -6.108 558 H ASP 76 HN ASP 76 3.627 -0.228 -6.791 559 HA ASP 76 HA ASP 76 6.240 -0.893 -7.501 560 HB2 ASP 76 HB2 ASP 76 4.631 -0.013 -9.100 561 HB3 ASP 76 HB1 ASP 76 4.609 1.530 -8.263 562 H LEU 77 HN LEU 77 5.021 1.856 -5.718 563 HA LEU 77 HA LEU 77 7.346 3.360 -5.414 564 HB2 LEU 77 HB2 LEU 77 5.137 4.157 -4.780 565 HB3 LEU 77 HB1 LEU 77 5.016 2.934 -3.538 566 HG LEU 77 HG LEU 77 6.845 4.061 -2.297 567 HD11 LEU 77 HD11 LEU 77 7.975 5.135 -4.168 568 HD12 LEU 77 HD12 LEU 77 7.521 6.313 -2.938 569 HD13 LEU 77 HD13 LEU 77 6.577 6.182 -4.423 570 HD21 LEU 77 HD21 LEU 77 5.498 5.971 -1.562 571 HD22 LEU 77 HD22 LEU 77 4.512 4.529 -1.773 572 HD23 LEU 77 HD23 LEU 77 4.478 5.804 -2.989 573 H ILE 78 HN ILE 78 6.090 0.683 -3.479 574 HA ILE 78 HA ILE 78 8.168 0.716 -1.529 575 HB ILE 78 HB ILE 78 6.394 -1.635 -2.232 576 HG12 ILE 78 HG12 ILE 78 5.909 0.640 -0.312 577 HG13 ILE 78 HG11 ILE 78 5.044 0.365 -1.822 578 HG21 ILE 78 HG21 ILE 78 6.790 -2.254 0.121 579 HG22 ILE 78 HG22 ILE 78 7.828 -0.843 0.321 580 HG23 ILE 78 HG23 ILE 78 8.308 -2.143 -0.770 581 HD11 ILE 78 HD11 ILE 78 5.067 -1.401 0.588 582 HD12 ILE 78 HD12 ILE 78 4.205 -1.751 -0.918 583 HD13 ILE 78 HD13 ILE 78 3.751 -0.355 0.075 584 H ASN 79 HN ASN 79 7.457 -1.493 -4.257 585 HA ASN 79 HA ASN 79 9.734 -3.111 -4.031 586 HB2 ASN 79 HB2 ASN 79 8.245 -2.341 -6.559 587 HB3 ASN 79 HB1 ASN 79 9.509 -3.555 -6.508 588 HD21 ASN 79 HD21 ASN 79 9.021 -5.590 -5.663 589 HD22 ASN 79 HD22 ASN 79 7.393 -6.054 -5.313 590 H GLY 80 HN GLY 80 9.354 0.006 -5.598 591 HA2 GLY 80 HA2 GLY 80 11.879 0.182 -6.803 592 HA3 GLY 80 HA1 GLY 80 10.899 1.548 -6.278 593 H ALA 81 HN ALA 81 10.792 1.345 -3.620 594 HA ALA 81 HA ALA 81 13.330 2.245 -2.764 595 HB1 ALA 81 HB1 ALA 81 10.958 1.395 -1.092 596 HB2 ALA 81 HB2 ALA 81 11.221 3.004 -1.756 597 HB3 ALA 81 HB3 ALA 81 12.322 2.364 -0.535 598 H LEU 82 HN LEU 82 11.709 -0.833 -2.510 599 HA LEU 82 HA LEU 82 13.525 -2.057 -0.738 600 HB2 LEU 82 HB2 LEU 82 11.436 -3.124 -2.581 601 HB3 LEU 82 HB1 LEU 82 12.511 -4.215 -1.729 602 HG LEU 82 HG LEU 82 10.689 -2.211 -0.387 603 HD11 LEU 82 HD11 LEU 82 9.429 -3.977 -1.511 604 HD12 LEU 82 HD12 LEU 82 9.369 -4.170 0.244 605 HD13 LEU 82 HD13 LEU 82 10.430 -5.194 -0.724 606 HD21 LEU 82 HD21 LEU 82 11.257 -3.453 1.641 607 HD22 LEU 82 HD22 LEU 82 12.696 -2.749 0.902 608 HD23 LEU 82 HD23 LEU 82 12.361 -4.469 0.715 609 H ALA 83 HN ALA 83 13.952 -1.205 -3.954 610 HA ALA 83 HA ALA 83 15.670 -3.378 -4.706 611 HB1 ALA 83 HB1 ALA 83 16.230 -2.014 -6.659 612 HB2 ALA 83 HB2 ALA 83 15.406 -0.629 -5.939 613 HB3 ALA 83 HB3 ALA 83 14.483 -2.058 -6.406 614 H GLU 84 HN GLU 84 15.993 -0.690 -2.723 615 HA GLU 84 HA GLU 84 18.905 -0.581 -2.986 616 HB2 GLU 84 HB2 GLU 84 17.549 1.520 -2.982 617 HB3 GLU 84 HB1 GLU 84 16.993 1.126 -1.369 618 HG2 GLU 84 HG2 GLU 84 18.739 2.816 -1.325 619 HG3 GLU 84 HG1 GLU 84 19.266 1.337 -0.524 620 H ALA 85 HN ALA 85 16.668 -2.388 -1.479 621 HA ALA 85 HA ALA 85 17.898 -2.402 1.155 622 HB1 ALA 85 HB1 ALA 85 15.422 -3.791 0.144 623 HB2 ALA 85 HB2 ALA 85 15.464 -2.274 1.043 624 HB3 ALA 85 HB3 ALA 85 15.993 -3.771 1.813 625 H ALA 86 HN ALA 86 19.588 -3.659 1.311 626 HA ALA 86 HA ALA 86 19.719 -6.134 -0.215 627 HB1 ALA 86 HB1 ALA 86 21.660 -4.646 -0.358 628 HB2 ALA 86 HB2 ALA 86 22.081 -6.166 0.429 629 HB3 ALA 86 HB3 ALA 86 21.838 -4.711 1.395 630 H28 SXV 87 H28A SXV 87 -3.839 12.167 4.602 631 H28A SXV 87 H28B SXV 87 -2.437 12.898 3.859 632 H30 SXV 87 H30C SXV 87 -2.718 13.244 6.661 633 H30A SXV 87 H30A SXV 87 -2.558 15.001 6.713 634 H30B SXV 87 H30B SXV 87 -1.598 14.058 5.574 635 H31 SXV 87 H31C SXV 87 -4.153 15.602 3.440 636 H31A SXV 87 H31A SXV 87 -2.432 15.532 3.824 637 H31B SXV 87 H31B SXV 87 -3.543 16.400 4.896 638 H32 SXV 87 H32A SXV 87 -5.286 13.332 6.210 639 HO33 SXV 87 H33A SXV 87 -6.536 15.203 4.916 640 HN36 SXV 87 H36A SXV 87 -4.110 14.805 8.027 641 H37 SXV 87 H37B SXV 87 -5.742 16.246 9.447 642 H37A SXV 87 H37A SXV 87 -5.323 17.464 8.253 643 H38 SXV 87 H38B SXV 87 -2.982 17.325 8.913 644 H38A SXV 87 H38A SXV 87 -3.375 16.015 10.037 645 HN41 SXV 87 H41A SXV 87 -2.087 17.969 11.090 646 H42 SXV 87 H42B SXV 87 -3.310 18.755 13.337 647 H42A SXV 87 H42A SXV 87 -3.713 20.070 12.251 648 H43 SXV 87 H43B SXV 87 -0.935 19.049 12.738 649 H43A SXV 87 H43A SXV 87 -1.347 20.554 11.949 650 H1 SXV 87 H1B SXV 87 0.815 20.400 14.068 651 H1A SXV 87 H1A SXV 87 0.291 22.007 13.536 652 H2 SXV 87 H2A SXV 87 1.733 22.106 15.464 653 H2A SXV 87 H2B SXV 87 0.532 21.230 16.414 654 H4 SXV 87 H4C SXV 87 1.644 24.390 16.565 655 H4A SXV 87 H4A SXV 87 0.198 25.325 16.166 656 H4B SXV 87 H4B SXV 87 1.183 24.627 14.873
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