NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26208 | 2kg9 | 16199 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 21.583 9.234 0.428 2 H2 MET 1 HT2 MET 1 20.597 8.698 -0.842 3 H3 MET 1 HT3 MET 1 21.376 7.589 0.146 4 HA MET 1 HA MET 1 20.143 8.064 2.013 5 HB2 MET 1 HB2 MET 1 18.310 9.654 2.044 6 HB3 MET 1 HB1 MET 1 19.793 10.489 1.631 7 HG2 MET 1 HG2 MET 1 19.140 10.581 -0.692 8 HG3 MET 1 HG1 MET 1 17.696 9.627 -0.351 9 HE1 MET 1 HE1 MET 1 19.205 12.427 1.957 10 HE2 MET 1 HE2 MET 1 18.393 13.869 1.346 11 HE3 MET 1 HE3 MET 1 19.561 13.020 0.334 12 H ALA 2 HN ALA 2 18.204 7.007 2.408 13 HA ALA 2 HA ALA 2 17.274 5.443 0.135 14 HB1 ALA 2 HB1 ALA 2 16.118 4.095 1.843 15 HB2 ALA 2 HB2 ALA 2 16.652 5.220 3.090 16 HB3 ALA 2 HB3 ALA 2 17.835 4.254 2.210 17 H THR 3 HN THR 3 15.759 6.498 -1.028 18 HA THR 3 HA THR 3 14.047 8.438 0.153 19 HB THR 3 HB THR 3 12.991 8.355 -2.193 20 HG1 THR 3 HG1 THR 3 13.560 6.481 -3.037 21 HG21 THR 3 HG21 THR 3 14.895 9.549 -3.204 22 HG22 THR 3 HG22 THR 3 15.945 8.946 -1.921 23 HG23 THR 3 HG23 THR 3 14.622 10.051 -1.535 24 H LEU 4 HN LEU 4 12.480 7.844 1.454 25 HA LEU 4 HA LEU 4 11.119 5.278 1.036 26 HB2 LEU 4 HB2 LEU 4 11.140 7.048 3.477 27 HB3 LEU 4 HB1 LEU 4 10.404 5.469 3.354 28 HG LEU 4 HG LEU 4 13.345 6.115 3.341 29 HD11 LEU 4 HD11 LEU 4 11.618 4.582 5.269 30 HD12 LEU 4 HD12 LEU 4 12.310 6.185 5.524 31 HD13 LEU 4 HD13 LEU 4 13.367 4.780 5.387 32 HD21 LEU 4 HD21 LEU 4 13.726 3.694 3.220 33 HD22 LEU 4 HD22 LEU 4 12.927 4.300 1.771 34 HD23 LEU 4 HD23 LEU 4 11.995 3.435 2.996 35 H LEU 5 HN LEU 5 8.805 5.286 1.727 36 HA LEU 5 HA LEU 5 7.437 7.416 0.319 37 HB2 LEU 5 HB2 LEU 5 6.363 4.877 1.527 38 HB3 LEU 5 HB1 LEU 5 5.487 5.982 0.494 39 HG LEU 5 HG LEU 5 7.807 4.239 -0.307 40 HD11 LEU 5 HD11 LEU 5 5.753 3.008 0.052 41 HD12 LEU 5 HD12 LEU 5 6.140 3.088 -1.667 42 HD13 LEU 5 HD13 LEU 5 4.882 4.126 -0.993 43 HD21 LEU 5 HD21 LEU 5 6.135 6.126 -1.945 44 HD22 LEU 5 HD22 LEU 5 7.353 5.016 -2.577 45 HD23 LEU 5 HD23 LEU 5 7.832 6.347 -1.518 46 H THR 6 HN THR 6 6.110 8.773 1.257 47 HA THR 6 HA THR 6 5.897 8.814 4.157 48 HB THR 6 HB THR 6 4.879 11.124 3.614 49 HG1 THR 6 HG1 THR 6 6.214 10.694 1.144 50 HG21 THR 6 HG21 THR 6 7.097 12.149 3.290 51 HG22 THR 6 HG22 THR 6 7.761 10.575 2.846 52 HG23 THR 6 HG23 THR 6 7.168 10.852 4.485 53 H THR 7 HN THR 7 3.597 9.724 4.873 54 HA THR 7 HA THR 7 1.609 7.871 4.303 55 HB THR 7 HB THR 7 1.183 10.736 5.186 56 HG1 THR 7 HG1 THR 7 1.478 9.944 7.268 57 HG21 THR 7 HG21 THR 7 -0.412 8.214 5.703 58 HG22 THR 7 HG22 THR 7 -0.879 9.537 4.633 59 HG23 THR 7 HG23 THR 7 -0.764 9.808 6.372 60 H ASP 8 HN ASP 8 2.097 11.143 3.039 61 HA ASP 8 HA ASP 8 -0.120 11.339 1.368 62 HB2 ASP 8 HB2 ASP 8 1.118 13.289 1.855 63 HB3 ASP 8 HB1 ASP 8 2.607 12.589 1.225 64 H ASP 9 HN ASP 9 3.091 10.051 0.664 65 HA ASP 9 HA ASP 9 2.634 9.747 -2.139 66 HB2 ASP 9 HB2 ASP 9 4.905 9.734 -0.848 67 HB3 ASP 9 HB1 ASP 9 4.578 8.022 -0.610 68 H LEU 10 HN LEU 10 2.368 7.631 0.644 69 HA LEU 10 HA LEU 10 1.528 5.321 -0.744 70 HB2 LEU 10 HB2 LEU 10 2.375 5.296 1.557 71 HB3 LEU 10 HB1 LEU 10 0.973 6.198 2.091 72 HG LEU 10 HG LEU 10 -0.442 4.261 1.343 73 HD11 LEU 10 HD11 LEU 10 2.219 2.887 1.103 74 HD12 LEU 10 HD12 LEU 10 1.101 3.238 -0.213 75 HD13 LEU 10 HD13 LEU 10 0.646 2.094 1.053 76 HD21 LEU 10 HD21 LEU 10 0.077 2.889 3.299 77 HD22 LEU 10 HD22 LEU 10 0.111 4.611 3.678 78 HD23 LEU 10 HD23 LEU 10 1.620 3.723 3.471 79 H ARG 11 HN ARG 11 -0.185 8.014 0.742 80 HA ARG 11 HA ARG 11 -2.818 7.209 0.581 81 HB2 ARG 11 HB2 ARG 11 -1.972 9.342 1.601 82 HB3 ARG 11 HB1 ARG 11 -1.870 10.009 -0.023 83 HG2 ARG 11 HG2 ARG 11 -4.355 9.428 -0.229 84 HG3 ARG 11 HG1 ARG 11 -4.256 9.170 1.527 85 HD2 ARG 11 HD2 ARG 11 -3.495 11.730 0.134 86 HD3 ARG 11 HD1 ARG 11 -5.051 11.441 0.906 87 HE ARG 11 HE ARG 11 -3.352 10.899 2.883 88 HH11 ARG 11 HH11 ARG 11 -3.563 13.709 0.709 89 HH12 ARG 11 HH12 ARG 11 -2.905 14.785 1.868 90 HH21 ARG 11 HH21 ARG 11 -2.527 12.334 4.409 91 HH22 ARG 11 HH22 ARG 11 -2.297 13.989 4.065 92 H ARG 12 HN ARG 12 -1.037 9.060 -1.842 93 HA ARG 12 HA ARG 12 -3.095 8.942 -3.738 94 HB2 ARG 12 HB2 ARG 12 -1.396 9.608 -5.450 95 HB3 ARG 12 HB1 ARG 12 -1.557 10.660 -4.052 96 HG2 ARG 12 HG2 ARG 12 0.491 9.845 -3.131 97 HG3 ARG 12 HG1 ARG 12 0.597 8.593 -4.371 98 HD2 ARG 12 HD2 ARG 12 2.089 10.513 -4.808 99 HD3 ARG 12 HD1 ARG 12 0.911 10.246 -6.086 100 HE ARG 12 HE ARG 12 -0.350 12.111 -4.691 101 HH11 ARG 12 HH11 ARG 12 3.106 12.008 -5.446 102 HH12 ARG 12 HH12 ARG 12 3.218 13.698 -5.629 103 HH21 ARG 12 HH21 ARG 12 -0.190 14.338 -4.939 104 HH22 ARG 12 HH22 ARG 12 1.295 15.066 -5.357 105 H ALA 13 HN ALA 13 -0.607 6.660 -3.007 106 HA ALA 13 HA ALA 13 -0.872 5.090 -5.345 107 HB1 ALA 13 HB1 ALA 13 0.220 3.335 -4.060 108 HB2 ALA 13 HB2 ALA 13 -0.030 4.256 -2.575 109 HB3 ALA 13 HB3 ALA 13 1.038 4.880 -3.833 110 H LEU 14 HN LEU 14 -2.473 5.048 -2.211 111 HA LEU 14 HA LEU 14 -4.180 2.868 -2.822 112 HB2 LEU 14 HB2 LEU 14 -4.318 5.081 -0.797 113 HB3 LEU 14 HB1 LEU 14 -5.722 4.078 -1.062 114 HG LEU 14 HG LEU 14 -4.497 3.346 0.894 115 HD11 LEU 14 HD11 LEU 14 -4.264 1.377 -1.356 116 HD12 LEU 14 HD12 LEU 14 -5.681 1.670 -0.346 117 HD13 LEU 14 HD13 LEU 14 -4.218 0.991 0.365 118 HD21 LEU 14 HD21 LEU 14 -2.261 2.359 0.738 119 HD22 LEU 14 HD22 LEU 14 -2.253 4.069 0.301 120 HD23 LEU 14 HD23 LEU 14 -2.177 2.837 -0.960 121 H VAL 15 HN VAL 15 -4.487 6.336 -3.213 122 HA VAL 15 HA VAL 15 -7.021 6.217 -4.388 123 HB VAL 15 HB VAL 15 -4.918 8.425 -4.456 124 HG11 VAL 15 HG11 VAL 15 -7.751 8.593 -5.497 125 HG12 VAL 15 HG12 VAL 15 -6.300 8.652 -6.494 126 HG13 VAL 15 HG13 VAL 15 -6.624 9.943 -5.335 127 HG21 VAL 15 HG21 VAL 15 -5.935 7.967 -2.324 128 HG22 VAL 15 HG22 VAL 15 -7.543 8.136 -3.031 129 HG23 VAL 15 HG23 VAL 15 -6.464 9.530 -2.948 130 H GLU 16 HN GLU 16 -4.077 5.201 -5.686 131 HA GLU 16 HA GLU 16 -4.567 5.548 -8.474 132 HB2 GLU 16 HB2 GLU 16 -2.858 3.551 -6.985 133 HB3 GLU 16 HB1 GLU 16 -2.898 3.691 -8.731 134 HG2 GLU 16 HG2 GLU 16 -2.054 5.876 -6.850 135 HG3 GLU 16 HG1 GLU 16 -0.960 4.767 -7.680 136 H SER 17 HN SER 17 -4.878 2.734 -6.286 137 HA SER 17 HA SER 17 -6.054 1.107 -8.297 138 HB2 SER 17 HB2 SER 17 -6.126 -0.536 -6.253 139 HB3 SER 17 HB1 SER 17 -4.603 0.111 -6.779 140 HG SER 17 HG SER 17 -6.113 1.079 -4.604 141 H ALA 18 HN ALA 18 -7.210 3.401 -6.161 142 HA ALA 18 HA ALA 18 -9.924 2.366 -6.042 143 HB1 ALA 18 HB1 ALA 18 -9.001 3.506 -4.086 144 HB2 ALA 18 HB2 ALA 18 -10.376 4.397 -4.741 145 HB3 ALA 18 HB3 ALA 18 -8.732 4.957 -5.051 146 H GLY 19 HN GLY 19 -7.972 4.028 -8.135 147 HA2 GLY 19 HA2 GLY 19 -9.989 5.834 -9.161 148 HA3 GLY 19 HA1 GLY 19 -8.306 5.727 -9.669 149 H GLU 20 HN GLU 20 -11.276 3.925 -9.662 150 HA GLU 20 HA GLU 20 -10.690 3.095 -12.426 151 HB2 GLU 20 HB2 GLU 20 -10.453 1.231 -10.737 152 HB3 GLU 20 HB1 GLU 20 -12.141 1.447 -10.329 153 HG2 GLU 20 HG2 GLU 20 -11.885 -0.457 -11.788 154 HG3 GLU 20 HG1 GLU 20 -12.777 0.819 -12.611 155 H THR 21 HN THR 21 -12.324 5.130 -10.719 156 HA THR 21 HA THR 21 -14.199 6.314 -10.800 157 HB THR 21 HB THR 21 -14.702 5.103 -13.542 158 HG1 THR 21 HG1 THR 21 -13.248 6.557 -14.340 159 HG21 THR 21 HG21 THR 21 -16.476 6.563 -12.641 160 HG22 THR 21 HG22 THR 21 -15.663 7.320 -14.013 161 HG23 THR 21 HG23 THR 21 -15.289 7.837 -12.369 162 H ASP 22 HN ASP 22 -14.823 4.706 -9.093 163 HA ASP 22 HA ASP 22 -17.376 3.467 -9.839 164 HB2 ASP 22 HB2 ASP 22 -15.224 2.108 -8.204 165 HB3 ASP 22 HB1 ASP 22 -16.904 1.610 -8.153 166 H GLY 23 HN GLY 23 -15.394 3.941 -6.875 167 HA2 GLY 23 HA2 GLY 23 -16.289 5.724 -5.440 168 HA3 GLY 23 HA1 GLY 23 -17.802 4.807 -5.540 169 H THR 24 HN THR 24 -17.473 4.614 -3.280 170 HA THR 24 HA THR 24 -16.908 3.575 -1.349 171 HB THR 24 HB THR 24 -16.659 1.045 -1.480 172 HG1 THR 24 HG1 THR 24 -16.201 1.665 -4.034 173 HG21 THR 24 HG21 THR 24 -18.972 0.673 -2.253 174 HG22 THR 24 HG22 THR 24 -18.984 2.286 -2.962 175 HG23 THR 24 HG23 THR 24 -18.845 2.093 -1.215 176 H ASP 25 HN ASP 25 -14.800 5.002 -2.123 177 HA ASP 25 HA ASP 25 -12.554 3.206 -1.525 178 HB2 ASP 25 HB2 ASP 25 -11.031 4.631 -2.750 179 HB3 ASP 25 HB1 ASP 25 -12.357 4.162 -3.797 180 H LEU 26 HN LEU 26 -10.637 4.654 -0.732 181 HA LEU 26 HA LEU 26 -11.606 5.574 1.796 182 HB2 LEU 26 HB2 LEU 26 -9.179 5.686 2.417 183 HB3 LEU 26 HB1 LEU 26 -9.770 4.115 1.933 184 HG LEU 26 HG LEU 26 -8.758 5.041 -0.421 185 HD11 LEU 26 HD11 LEU 26 -7.821 7.058 0.562 186 HD12 LEU 26 HD12 LEU 26 -6.550 5.976 -0.006 187 HD13 LEU 26 HD13 LEU 26 -6.911 6.079 1.714 188 HD21 LEU 26 HD21 LEU 26 -7.292 3.551 1.724 189 HD22 LEU 26 HD22 LEU 26 -6.884 3.557 0.007 190 HD23 LEU 26 HD23 LEU 26 -8.407 2.854 0.548 191 H SER 27 HN SER 27 -9.385 7.059 -0.537 192 HA SER 27 HA SER 27 -8.556 9.111 -0.664 193 HB2 SER 27 HB2 SER 27 -10.528 10.817 -1.184 194 HB3 SER 27 HB1 SER 27 -10.073 9.529 -2.304 195 HG SER 27 HG SER 27 -11.781 8.415 -1.793 196 H GLY 28 HN GLY 28 -7.425 9.843 0.920 197 HA2 GLY 28 HA2 GLY 28 -7.355 11.836 2.409 198 HA3 GLY 28 HA1 GLY 28 -8.868 11.257 3.090 199 H ASP 29 HN ASP 29 -8.674 10.280 4.984 200 HA ASP 29 HA ASP 29 -6.057 9.287 5.819 201 HB2 ASP 29 HB2 ASP 29 -7.161 10.892 7.332 202 HB3 ASP 29 HB1 ASP 29 -8.564 9.834 7.438 203 H PHE 30 HN PHE 30 -5.735 7.252 6.398 204 HA PHE 30 HA PHE 30 -7.773 5.165 6.223 205 HB2 PHE 30 HB2 PHE 30 -6.942 4.118 4.137 206 HB3 PHE 30 HB1 PHE 30 -7.446 5.772 3.837 207 HD1 PHE 30 HD2 PHE 30 -5.652 7.585 3.737 208 HD2 PHE 30 HD1 PHE 30 -4.732 3.442 3.624 209 HE1 PHE 30 HE2 PHE 30 -3.483 8.090 2.700 210 HE2 PHE 30 HE1 PHE 30 -2.573 3.948 2.593 211 HZ PHE 30 HZ PHE 30 -1.834 6.317 2.407 212 H LEU 31 HN LEU 31 -4.531 6.243 6.641 213 HA LEU 31 HA LEU 31 -2.892 4.121 6.410 214 HB2 LEU 31 HB2 LEU 31 -2.307 6.474 6.674 215 HB3 LEU 31 HB1 LEU 31 -2.683 6.377 8.380 216 HG LEU 31 HG LEU 31 -0.861 4.622 8.555 217 HD11 LEU 31 HD11 LEU 31 0.835 4.626 6.803 218 HD12 LEU 31 HD12 LEU 31 -0.187 5.672 5.817 219 HD13 LEU 31 HD13 LEU 31 -0.717 4.036 6.212 220 HD21 LEU 31 HD21 LEU 31 0.932 6.280 8.615 221 HD22 LEU 31 HD22 LEU 31 -0.553 6.915 9.323 222 HD23 LEU 31 HD23 LEU 31 -0.072 7.402 7.697 223 H ASP 32 HN ASP 32 -4.916 4.829 9.211 224 HA ASP 32 HA ASP 32 -3.506 2.763 10.761 225 HB2 ASP 32 HB2 ASP 32 -5.629 4.657 11.765 226 HB3 ASP 32 HB1 ASP 32 -4.500 3.701 12.715 227 H LEU 33 HN LEU 33 -6.144 3.017 8.797 228 HA LEU 33 HA LEU 33 -7.919 1.308 10.338 229 HB2 LEU 33 HB2 LEU 33 -8.186 2.601 7.623 230 HB3 LEU 33 HB1 LEU 33 -9.373 1.486 8.237 231 HG LEU 33 HG LEU 33 -9.794 3.112 10.128 232 HD11 LEU 33 HD11 LEU 33 -7.715 4.358 10.054 233 HD12 LEU 33 HD12 LEU 33 -9.107 5.421 9.848 234 HD13 LEU 33 HD13 LEU 33 -8.128 4.968 8.453 235 HD21 LEU 33 HD21 LEU 33 -10.260 4.097 7.328 236 HD22 LEU 33 HD22 LEU 33 -11.121 4.638 8.766 237 HD23 LEU 33 HD23 LEU 33 -11.276 2.965 8.223 238 H ARG 34 HN ARG 34 -8.803 -0.652 9.250 239 HA ARG 34 HA ARG 34 -6.664 -2.253 8.130 240 HB2 ARG 34 HB2 ARG 34 -9.608 -2.870 8.458 241 HB3 ARG 34 HB1 ARG 34 -8.379 -4.026 7.971 242 HG2 ARG 34 HG2 ARG 34 -8.469 -2.587 10.598 243 HG3 ARG 34 HG1 ARG 34 -9.018 -4.237 10.312 244 HD2 ARG 34 HD2 ARG 34 -6.833 -4.915 9.690 245 HD3 ARG 34 HD1 ARG 34 -6.220 -3.265 9.805 246 HE ARG 34 HE ARG 34 -7.496 -4.263 12.198 247 HH11 ARG 34 HH11 ARG 34 -4.340 -4.066 10.610 248 HH12 ARG 34 HH12 ARG 34 -3.474 -4.476 12.025 249 HH21 ARG 34 HH21 ARG 34 -6.248 -4.796 14.109 250 HH22 ARG 34 HH22 ARG 34 -4.525 -4.878 13.981 251 H PHE 35 HN PHE 35 -6.506 -2.973 6.001 252 HA PHE 35 HA PHE 35 -7.530 -1.435 3.898 253 HB2 PHE 35 HB2 PHE 35 -6.723 -4.353 3.810 254 HB3 PHE 35 HB1 PHE 35 -6.997 -3.348 2.396 255 HD1 PHE 35 HD2 PHE 35 -5.430 -1.570 1.824 256 HD2 PHE 35 HD1 PHE 35 -4.789 -4.174 5.110 257 HE1 PHE 35 HE2 PHE 35 -3.065 -0.890 1.894 258 HE2 PHE 35 HE1 PHE 35 -2.470 -3.515 5.217 259 HZ PHE 35 HZ PHE 35 -1.569 -1.866 3.591 260 H GLU 36 HN GLU 36 -8.683 -4.450 5.307 261 HA GLU 36 HA GLU 36 -10.914 -5.039 3.874 262 HB2 GLU 36 HB2 GLU 36 -9.798 -6.268 5.752 263 HB3 GLU 36 HB1 GLU 36 -10.528 -5.138 6.867 264 HG2 GLU 36 HG2 GLU 36 -12.030 -6.968 5.051 265 HG3 GLU 36 HG1 GLU 36 -11.586 -7.352 6.712 266 H ASP 37 HN ASP 37 -10.445 -2.561 6.353 267 HA ASP 37 HA ASP 37 -13.275 -2.023 6.557 268 HB2 ASP 37 HB2 ASP 37 -11.692 -1.911 8.487 269 HB3 ASP 37 HB1 ASP 37 -10.969 -0.487 7.748 270 H ILE 38 HN ILE 38 -10.604 -0.827 4.747 271 HA ILE 38 HA ILE 38 -12.104 1.576 4.016 272 HB ILE 38 HB ILE 38 -10.037 2.342 2.834 273 HG12 ILE 38 HG12 ILE 38 -8.823 -0.130 4.099 274 HG13 ILE 38 HG11 ILE 38 -9.042 0.150 2.378 275 HG21 ILE 38 HG21 ILE 38 -8.767 2.871 4.868 276 HG22 ILE 38 HG22 ILE 38 -9.711 1.676 5.753 277 HG23 ILE 38 HG23 ILE 38 -10.500 3.102 5.082 278 HD11 ILE 38 HD11 ILE 38 -6.733 0.450 3.090 279 HD12 ILE 38 HD12 ILE 38 -7.231 1.741 4.189 280 HD13 ILE 38 HD13 ILE 38 -7.417 1.935 2.443 281 H GLY 39 HN GLY 39 -12.552 -1.262 3.071 282 HA2 GLY 39 HA2 GLY 39 -13.657 -2.040 1.188 283 HA3 GLY 39 HA1 GLY 39 -13.372 -0.487 0.428 284 H TYR 40 HN TYR 40 -10.660 -2.190 1.715 285 HA TYR 40 HA TYR 40 -9.828 -2.690 -0.992 286 HB2 TYR 40 HB2 TYR 40 -8.333 -1.765 1.372 287 HB3 TYR 40 HB1 TYR 40 -7.504 -2.907 0.315 288 HD1 TYR 40 HD2 TYR 40 -9.611 0.173 0.054 289 HD2 TYR 40 HD1 TYR 40 -6.405 -2.139 -1.467 290 HE1 TYR 40 HE2 TYR 40 -9.221 1.863 -1.687 291 HE2 TYR 40 HE1 TYR 40 -6.017 -0.483 -3.204 292 HH TYR 40 HH TYR 40 -7.280 2.569 -3.238 293 H ASP 41 HN ASP 41 -10.245 -4.497 -1.664 294 HA ASP 41 HA ASP 41 -10.040 -6.889 -0.037 295 HB2 ASP 41 HB2 ASP 41 -11.150 -7.981 -1.855 296 HB3 ASP 41 HB1 ASP 41 -11.955 -6.432 -1.645 297 H SER 42 HN SER 42 -9.083 -8.798 -1.642 298 HA SER 42 HA SER 42 -6.343 -8.423 -1.596 299 HB2 SER 42 HB2 SER 42 -6.156 -10.589 -2.770 300 HB3 SER 42 HB1 SER 42 -7.344 -10.657 -1.468 301 H LEU 43 HN LEU 43 -8.544 -7.988 -4.338 302 HA LEU 43 HA LEU 43 -6.429 -7.753 -6.259 303 HB2 LEU 43 HB2 LEU 43 -8.757 -8.514 -6.807 304 HB3 LEU 43 HB1 LEU 43 -9.338 -6.910 -6.457 305 HG LEU 43 HG LEU 43 -7.424 -7.535 -8.729 306 HD11 LEU 43 HD11 LEU 43 -9.381 -7.402 -10.186 307 HD12 LEU 43 HD12 LEU 43 -10.421 -7.250 -8.768 308 HD13 LEU 43 HD13 LEU 43 -9.511 -8.735 -9.038 309 HD21 LEU 43 HD21 LEU 43 -7.441 -5.143 -8.057 310 HD22 LEU 43 HD22 LEU 43 -9.192 -5.112 -8.225 311 HD23 LEU 43 HD23 LEU 43 -8.173 -5.366 -9.639 312 H ALA 44 HN ALA 44 -8.498 -5.535 -4.503 313 HA ALA 44 HA ALA 44 -7.555 -3.200 -5.713 314 HB1 ALA 44 HB1 ALA 44 -9.627 -3.302 -4.410 315 HB2 ALA 44 HB2 ALA 44 -8.562 -2.014 -3.842 316 HB3 ALA 44 HB3 ALA 44 -8.683 -3.520 -2.937 317 H LEU 45 HN LEU 45 -6.477 -4.824 -2.734 318 HA LEU 45 HA LEU 45 -4.573 -2.871 -1.981 319 HB2 LEU 45 HB2 LEU 45 -5.604 -4.826 -0.614 320 HB3 LEU 45 HB1 LEU 45 -4.358 -5.809 -1.332 321 HG LEU 45 HG LEU 45 -3.931 -3.470 0.550 322 HD11 LEU 45 HD11 LEU 45 -3.593 -6.418 0.951 323 HD12 LEU 45 HD12 LEU 45 -4.819 -5.370 1.682 324 HD13 LEU 45 HD13 LEU 45 -3.111 -5.154 2.084 325 HD21 LEU 45 HD21 LEU 45 -1.866 -5.358 -0.591 326 HD22 LEU 45 HD22 LEU 45 -1.581 -4.121 0.639 327 HD23 LEU 45 HD23 LEU 45 -2.039 -3.649 -0.999 328 H MET 46 HN MET 46 -4.289 -5.847 -3.911 329 HA MET 46 HA MET 46 -1.471 -5.738 -4.168 330 HB2 MET 46 HB2 MET 46 -1.663 -7.449 -5.854 331 HB3 MET 46 HB1 MET 46 -2.826 -7.793 -4.586 332 HG2 MET 46 HG2 MET 46 -4.145 -8.173 -6.433 333 HG3 MET 46 HG1 MET 46 -4.396 -6.440 -6.108 334 HE1 MET 46 HE1 MET 46 -5.041 -7.986 -8.908 335 HE2 MET 46 HE2 MET 46 -4.536 -6.742 -10.053 336 HE3 MET 46 HE3 MET 46 -5.436 -6.295 -8.603 337 H GLU 47 HN GLU 47 -4.057 -4.229 -5.905 338 HA GLU 47 HA GLU 47 -2.547 -3.461 -8.143 339 HB2 GLU 47 HB2 GLU 47 -5.012 -3.588 -8.116 340 HB3 GLU 47 HB1 GLU 47 -5.070 -2.281 -6.954 341 HG2 GLU 47 HG2 GLU 47 -5.665 -1.620 -9.235 342 HG3 GLU 47 HG1 GLU 47 -4.313 -0.719 -8.577 343 H THR 48 HN THR 48 -3.281 -1.902 -5.026 344 HA THR 48 HA THR 48 -1.883 0.545 -5.352 345 HB THR 48 HB THR 48 -1.973 -1.170 -2.859 346 HG1 THR 48 HG1 THR 48 -4.077 0.253 -4.109 347 HG21 THR 48 HG21 THR 48 -1.991 1.819 -3.267 348 HG22 THR 48 HG22 THR 48 -0.626 0.847 -2.716 349 HG23 THR 48 HG23 THR 48 -2.067 0.995 -1.708 350 H ALA 49 HN ALA 49 -0.887 -2.597 -4.033 351 HA ALA 49 HA ALA 49 1.754 -1.991 -3.421 352 HB1 ALA 49 HB1 ALA 49 0.628 -4.039 -2.636 353 HB2 ALA 49 HB2 ALA 49 2.157 -4.401 -3.435 354 HB3 ALA 49 HB3 ALA 49 0.641 -4.665 -4.285 355 H ALA 50 HN ALA 50 0.470 -3.577 -6.338 356 HA ALA 50 HA ALA 50 2.856 -3.878 -7.716 357 HB1 ALA 50 HB1 ALA 50 0.119 -3.434 -8.873 358 HB2 ALA 50 HB2 ALA 50 0.764 -4.977 -8.318 359 HB3 ALA 50 HB3 ALA 50 1.498 -4.159 -9.698 360 H ARG 51 HN ARG 51 0.695 -1.145 -7.579 361 HA ARG 51 HA ARG 51 1.849 0.431 -9.598 362 HB2 ARG 51 HB2 ARG 51 0.248 1.012 -7.139 363 HB3 ARG 51 HB1 ARG 51 0.790 2.374 -8.057 364 HG2 ARG 51 HG2 ARG 51 -0.959 0.112 -9.031 365 HG3 ARG 51 HG1 ARG 51 -1.496 1.735 -8.601 366 HD2 ARG 51 HD2 ARG 51 0.457 1.130 -10.830 367 HD3 ARG 51 HD1 ARG 51 -1.278 1.319 -11.052 368 HE ARG 51 HE ARG 51 -0.855 3.608 -9.968 369 HH11 ARG 51 HH11 ARG 51 1.466 2.030 -12.159 370 HH12 ARG 51 HH12 ARG 51 2.000 3.523 -12.811 371 HH21 ARG 51 HH21 ARG 51 -0.143 5.521 -10.856 372 HH22 ARG 51 HH22 ARG 51 1.129 5.604 -12.005 373 H LEU 52 HN LEU 52 2.450 0.346 -6.119 374 HA LEU 52 HA LEU 52 4.591 2.200 -6.221 375 HB2 LEU 52 HB2 LEU 52 3.790 0.241 -4.093 376 HB3 LEU 52 HB1 LEU 52 5.053 1.444 -3.902 377 HG LEU 52 HG LEU 52 2.146 2.052 -4.449 378 HD11 LEU 52 HD11 LEU 52 2.102 2.886 -2.164 379 HD12 LEU 52 HD12 LEU 52 3.767 2.352 -1.936 380 HD13 LEU 52 HD13 LEU 52 2.490 1.166 -2.207 381 HD21 LEU 52 HD21 LEU 52 2.786 4.368 -3.991 382 HD22 LEU 52 HD22 LEU 52 3.641 3.724 -5.393 383 HD23 LEU 52 HD23 LEU 52 4.473 3.873 -3.846 384 H GLU 53 HN GLU 53 4.529 -1.333 -6.082 385 HA GLU 53 HA GLU 53 7.215 -1.884 -5.649 386 HB2 GLU 53 HB2 GLU 53 5.378 -3.402 -7.476 387 HB3 GLU 53 HB1 GLU 53 6.877 -3.996 -6.810 388 HG2 GLU 53 HG2 GLU 53 5.902 -3.984 -4.592 389 HG3 GLU 53 HG1 GLU 53 4.418 -3.296 -5.259 390 H SER 54 HN SER 54 5.512 -1.749 -8.718 391 HA SER 54 HA SER 54 7.745 -2.291 -10.317 392 HB2 SER 54 HB2 SER 54 5.198 -0.924 -11.156 393 HB3 SER 54 HB1 SER 54 6.263 -1.936 -12.142 394 HG SER 54 HG SER 54 4.309 -2.619 -10.365 395 H ARG 55 HN ARG 55 6.290 0.764 -9.264 396 HA ARG 55 HA ARG 55 7.734 2.426 -11.037 397 HB2 ARG 55 HB2 ARG 55 5.713 3.173 -9.829 398 HB3 ARG 55 HB1 ARG 55 6.628 3.143 -8.324 399 HG2 ARG 55 HG2 ARG 55 8.209 4.791 -9.364 400 HG3 ARG 55 HG1 ARG 55 7.069 4.927 -10.705 401 HD2 ARG 55 HD2 ARG 55 6.537 5.545 -7.807 402 HD3 ARG 55 HD1 ARG 55 6.730 6.711 -9.116 403 HE ARG 55 HE ARG 55 4.701 5.256 -10.008 404 HH11 ARG 55 HH11 ARG 55 5.277 6.665 -6.789 405 HH12 ARG 55 HH12 ARG 55 3.640 6.951 -6.476 406 HH21 ARG 55 HH21 ARG 55 2.455 5.612 -9.543 407 HH22 ARG 55 HH22 ARG 55 1.995 6.321 -8.050 408 H TYR 56 HN TYR 56 8.355 1.361 -7.712 409 HA TYR 56 HA TYR 56 10.769 2.988 -7.705 410 HB2 TYR 56 HB2 TYR 56 9.489 1.504 -5.401 411 HB3 TYR 56 HB1 TYR 56 10.874 2.577 -5.291 412 HD1 TYR 56 HD2 TYR 56 10.536 5.029 -6.040 413 HD2 TYR 56 HD1 TYR 56 7.316 2.398 -5.188 414 HE1 TYR 56 HE2 TYR 56 9.065 6.959 -5.688 415 HE2 TYR 56 HE1 TYR 56 5.833 4.321 -4.829 416 HH TYR 56 HH TYR 56 6.588 7.504 -5.721 417 H GLY 57 HN GLY 57 9.968 -0.181 -8.358 418 HA2 GLY 57 HA2 GLY 57 11.481 -1.723 -9.213 419 HA3 GLY 57 HA1 GLY 57 12.793 -0.780 -8.527 420 H VAL 58 HN VAL 58 9.935 -2.297 -7.073 421 HA VAL 58 HA VAL 58 11.716 -4.127 -5.683 422 HB VAL 58 HB VAL 58 10.476 -3.915 -3.527 423 HG11 VAL 58 HG11 VAL 58 12.581 -2.760 -3.754 424 HG12 VAL 58 HG12 VAL 58 11.469 -1.821 -2.757 425 HG13 VAL 58 HG13 VAL 58 11.762 -1.353 -4.431 426 HG21 VAL 58 HG21 VAL 58 9.205 -1.491 -4.800 427 HG22 VAL 58 HG22 VAL 58 9.082 -1.931 -3.096 428 HG23 VAL 58 HG23 VAL 58 8.387 -2.985 -4.330 429 H SER 59 HN SER 59 10.269 -5.769 -4.389 430 HA SER 59 HA SER 59 7.772 -6.315 -5.757 431 HB2 SER 59 HB2 SER 59 9.639 -7.463 -7.033 432 HB3 SER 59 HB1 SER 59 9.990 -8.384 -5.575 433 HG SER 59 HG SER 59 7.324 -8.502 -6.348 434 H ILE 60 HN ILE 60 6.302 -6.879 -4.265 435 HA ILE 60 HA ILE 60 7.170 -7.545 -1.571 436 HB ILE 60 HB ILE 60 4.486 -6.741 -2.728 437 HG12 ILE 60 HG12 ILE 60 6.405 -5.180 -0.984 438 HG13 ILE 60 HG11 ILE 60 6.164 -4.936 -2.707 439 HG21 ILE 60 HG21 ILE 60 4.132 -8.171 -0.797 440 HG22 ILE 60 HG22 ILE 60 3.696 -6.504 -0.414 441 HG23 ILE 60 HG23 ILE 60 5.223 -7.173 0.166 442 HD11 ILE 60 HD11 ILE 60 5.002 -3.274 -1.411 443 HD12 ILE 60 HD12 ILE 60 4.113 -4.532 -0.551 444 HD13 ILE 60 HD13 ILE 60 3.845 -4.286 -2.279 445 HA PRO 61 HA PRO 61 6.037 -11.894 -2.151 446 HB2 PRO 61 HB2 PRO 61 5.528 -11.647 0.781 447 HB3 PRO 61 HB1 PRO 61 6.524 -12.826 -0.087 448 HG2 PRO 61 HG2 PRO 61 7.666 -10.888 1.303 449 HG3 PRO 61 HG1 PRO 61 8.317 -11.350 -0.283 450 HD2 PRO 61 HD2 PRO 61 6.621 -9.000 0.460 451 HD3 PRO 61 HD1 PRO 61 8.011 -9.085 -0.643 452 H ASP 62 HN ASP 62 4.096 -12.617 -2.721 453 HA ASP 62 HA ASP 62 1.770 -11.078 -2.443 454 HB2 ASP 62 HB2 ASP 62 0.523 -12.845 -3.546 455 HB3 ASP 62 HB1 ASP 62 2.082 -12.660 -4.329 456 H ASP 63 HN ASP 63 2.954 -13.691 -0.481 457 HA ASP 63 HA ASP 63 0.508 -13.998 0.989 458 HB2 ASP 63 HB2 ASP 63 3.330 -14.823 1.704 459 HB3 ASP 63 HB1 ASP 63 1.927 -15.174 2.702 460 H VAL 64 HN VAL 64 3.359 -12.031 1.284 461 HA VAL 64 HA VAL 64 2.617 -11.175 3.906 462 HB VAL 64 HB VAL 64 4.803 -10.029 2.117 463 HG11 VAL 64 HG11 VAL 64 4.102 -8.424 3.834 464 HG12 VAL 64 HG12 VAL 64 5.716 -9.048 4.172 465 HG13 VAL 64 HG13 VAL 64 4.327 -9.651 5.080 466 HG21 VAL 64 HG21 VAL 64 5.187 -12.363 2.675 467 HG22 VAL 64 HG22 VAL 64 4.950 -12.008 4.386 468 HG23 VAL 64 HG23 VAL 64 6.332 -11.326 3.527 469 H ALA 65 HN ALA 65 2.004 -10.115 0.691 470 HA ALA 65 HA ALA 65 0.968 -7.558 1.315 471 HB1 ALA 65 HB1 ALA 65 -0.263 -7.693 -0.793 472 HB2 ALA 65 HB2 ALA 65 0.027 -9.424 -0.885 473 HB3 ALA 65 HB3 ALA 65 1.378 -8.286 -1.026 474 H GLY 66 HN GLY 66 -0.201 -10.749 1.846 475 HA2 GLY 66 HA2 GLY 66 -2.830 -9.755 2.658 476 HA3 GLY 66 HA1 GLY 66 -2.374 -11.445 2.466 477 H ARG 67 HN ARG 67 0.074 -9.860 3.974 478 HA ARG 67 HA ARG 67 -0.848 -10.693 6.625 479 HB2 ARG 67 HB2 ARG 67 1.926 -10.400 5.472 480 HB3 ARG 67 HB1 ARG 67 1.635 -10.568 7.201 481 HG2 ARG 67 HG2 ARG 67 0.669 -12.727 6.897 482 HG3 ARG 67 HG1 ARG 67 0.682 -12.536 5.145 483 HD2 ARG 67 HD2 ARG 67 2.489 -13.987 5.904 484 HD3 ARG 67 HD1 ARG 67 3.107 -12.531 5.139 485 HE ARG 67 HE ARG 67 3.207 -11.793 7.674 486 HH11 ARG 67 HH11 ARG 67 4.135 -14.886 6.218 487 HH12 ARG 67 HH12 ARG 67 5.410 -15.169 7.314 488 HH21 ARG 67 HH21 ARG 67 4.912 -12.211 9.203 489 HH22 ARG 67 HH22 ARG 67 5.846 -13.647 9.045 490 H VAL 68 HN VAL 68 -0.123 -8.009 4.731 491 HA VAL 68 HA VAL 68 0.246 -6.239 6.970 492 HB VAL 68 HB VAL 68 0.169 -4.412 5.192 493 HG11 VAL 68 HG11 VAL 68 2.270 -5.338 5.964 494 HG12 VAL 68 HG12 VAL 68 2.347 -4.966 4.242 495 HG13 VAL 68 HG13 VAL 68 2.152 -6.636 4.775 496 HG21 VAL 68 HG21 VAL 68 0.356 -5.072 2.851 497 HG22 VAL 68 HG22 VAL 68 -1.189 -5.587 3.528 498 HG23 VAL 68 HG23 VAL 68 0.105 -6.760 3.297 499 H ASP 69 HN ASP 69 -1.370 -5.690 8.151 500 HA ASP 69 HA ASP 69 -4.068 -5.851 7.011 501 HB2 ASP 69 HB2 ASP 69 -3.128 -5.896 9.849 502 HB3 ASP 69 HB1 ASP 69 -4.808 -5.575 9.456 503 H THR 70 HN THR 70 -1.852 -3.500 8.043 504 HA THR 70 HA THR 70 -3.948 -1.495 7.639 505 HB THR 70 HB THR 70 -2.579 0.009 9.169 506 HG1 THR 70 HG1 THR 70 -1.533 -2.442 10.166 507 HG21 THR 70 HG21 THR 70 -3.891 -2.406 10.427 508 HG22 THR 70 HG22 THR 70 -4.709 -0.934 9.901 509 HG23 THR 70 HG23 THR 70 -3.566 -0.875 11.242 510 HA PRO 71 HA PRO 71 -1.345 0.099 4.421 511 HB2 PRO 71 HB2 PRO 71 -2.232 2.733 5.501 512 HB3 PRO 71 HB1 PRO 71 -2.258 2.135 3.835 513 HG2 PRO 71 HG2 PRO 71 -4.508 2.229 5.209 514 HG3 PRO 71 HG1 PRO 71 -4.149 0.819 4.197 515 HD2 PRO 71 HD2 PRO 71 -3.941 1.125 7.160 516 HD3 PRO 71 HD1 PRO 71 -4.528 -0.254 6.205 517 H ARG 72 HN ARG 72 -1.299 1.544 7.638 518 HA ARG 72 HA ARG 72 1.163 2.802 7.723 519 HB2 ARG 72 HB2 ARG 72 -0.428 2.755 9.614 520 HB3 ARG 72 HB1 ARG 72 -0.086 1.047 9.857 521 HG2 ARG 72 HG2 ARG 72 2.301 1.687 10.257 522 HG3 ARG 72 HG1 ARG 72 1.772 3.367 10.258 523 HD2 ARG 72 HD2 ARG 72 0.735 1.219 12.096 524 HD3 ARG 72 HD1 ARG 72 1.990 2.377 12.515 525 HE ARG 72 HE ARG 72 -0.478 3.588 11.655 526 HH11 ARG 72 HH11 ARG 72 1.302 2.264 14.460 527 HH12 ARG 72 HH12 ARG 72 0.382 3.142 15.599 528 HH21 ARG 72 HH21 ARG 72 -1.688 4.750 13.238 529 HH22 ARG 72 HH22 ARG 72 -1.331 4.603 14.904 530 H GLU 73 HN GLU 73 0.436 -0.574 8.378 531 HA GLU 73 HA GLU 73 3.071 -1.456 8.762 532 HB2 GLU 73 HB2 GLU 73 1.159 -2.559 9.720 533 HB3 GLU 73 HB1 GLU 73 0.493 -2.874 8.133 534 HG2 GLU 73 HG2 GLU 73 2.191 -4.477 7.674 535 HG3 GLU 73 HG1 GLU 73 3.053 -4.047 9.156 536 H LEU 74 HN LEU 74 0.949 -1.386 5.970 537 HA LEU 74 HA LEU 74 2.630 -2.841 4.198 538 HB2 LEU 74 HB2 LEU 74 0.186 -2.525 3.874 539 HB3 LEU 74 HB1 LEU 74 0.441 -0.822 3.613 540 HG LEU 74 HG LEU 74 -0.087 -2.264 1.590 541 HD11 LEU 74 HD11 LEU 74 2.436 -0.618 1.478 542 HD12 LEU 74 HD12 LEU 74 0.787 -0.013 1.311 543 HD13 LEU 74 HD13 LEU 74 1.457 -1.090 0.089 544 HD21 LEU 74 HD21 LEU 74 1.788 -3.453 0.538 545 HD22 LEU 74 HD22 LEU 74 1.337 -4.156 2.091 546 HD23 LEU 74 HD23 LEU 74 2.771 -3.138 1.967 547 H LEU 75 HN LEU 75 2.303 0.579 4.937 548 HA LEU 75 HA LEU 75 4.028 1.699 3.084 549 HB2 LEU 75 HB2 LEU 75 2.577 2.966 4.621 550 HB3 LEU 75 HB1 LEU 75 3.581 2.482 5.969 551 HG LEU 75 HG LEU 75 5.464 3.759 4.981 552 HD11 LEU 75 HD11 LEU 75 5.002 5.336 3.178 553 HD12 LEU 75 HD12 LEU 75 3.379 4.663 3.013 554 HD13 LEU 75 HD13 LEU 75 4.788 3.666 2.654 555 HD21 LEU 75 HD21 LEU 75 4.042 4.765 6.683 556 HD22 LEU 75 HD22 LEU 75 2.927 5.327 5.437 557 HD23 LEU 75 HD23 LEU 75 4.567 5.973 5.511 558 H ASP 76 HN ASP 76 4.703 0.464 6.330 559 HA ASP 76 HA ASP 76 7.486 0.922 6.253 560 HB2 ASP 76 HB2 ASP 76 6.367 0.553 8.381 561 HB3 ASP 76 HB1 ASP 76 5.962 -1.096 7.915 562 H LEU 77 HN LEU 77 5.544 -1.784 5.240 563 HA LEU 77 HA LEU 77 7.604 -3.662 4.854 564 HB2 LEU 77 HB2 LEU 77 5.236 -4.264 4.857 565 HB3 LEU 77 HB1 LEU 77 4.987 -3.363 3.379 566 HG LEU 77 HG LEU 77 6.524 -4.943 2.222 567 HD11 LEU 77 HD11 LEU 77 6.369 -6.474 4.810 568 HD12 LEU 77 HD12 LEU 77 7.805 -5.711 4.129 569 HD13 LEU 77 HD13 LEU 77 7.052 -7.071 3.298 570 HD21 LEU 77 HD21 LEU 77 4.114 -5.204 2.092 571 HD22 LEU 77 HD22 LEU 77 4.124 -6.164 3.572 572 HD23 LEU 77 HD23 LEU 77 4.914 -6.775 2.116 573 H ILE 78 HN ILE 78 6.276 -1.161 2.756 574 HA ILE 78 HA ILE 78 8.030 -1.914 0.627 575 HB ILE 78 HB ILE 78 6.288 0.569 0.881 576 HG12 ILE 78 HG12 ILE 78 5.913 -2.066 -0.550 577 HG13 ILE 78 HG11 ILE 78 4.994 -1.479 0.824 578 HG21 ILE 78 HG21 ILE 78 7.754 -0.537 -1.534 579 HG22 ILE 78 HG22 ILE 78 8.173 0.941 -0.661 580 HG23 ILE 78 HG23 ILE 78 6.650 0.840 -1.537 581 HD11 ILE 78 HD11 ILE 78 3.713 -1.295 -1.209 582 HD12 ILE 78 HD12 ILE 78 4.976 -0.340 -1.965 583 HD13 ILE 78 HD13 ILE 78 4.077 0.317 -0.590 584 H ASN 79 HN ASN 79 7.965 0.554 3.119 585 HA ASN 79 HA ASN 79 10.233 1.935 2.225 586 HB2 ASN 79 HB2 ASN 79 9.016 1.764 4.980 587 HB3 ASN 79 HB1 ASN 79 10.452 2.734 4.654 588 HD21 ASN 79 HD21 ASN 79 7.885 3.738 5.530 589 HD22 ASN 79 HD22 ASN 79 7.319 4.753 4.252 590 H GLY 80 HN GLY 80 9.986 -0.901 4.241 591 HA2 GLY 80 HA2 GLY 80 12.720 -1.085 4.902 592 HA3 GLY 80 HA1 GLY 80 11.594 -2.438 4.826 593 H ALA 81 HN ALA 81 10.867 -2.054 2.105 594 HA ALA 81 HA ALA 81 12.986 -3.473 0.834 595 HB1 ALA 81 HB1 ALA 81 10.429 -2.354 -0.333 596 HB2 ALA 81 HB2 ALA 81 10.630 -3.968 0.341 597 HB3 ALA 81 HB3 ALA 81 11.505 -3.507 -1.120 598 H LEU 82 HN LEU 82 11.674 -0.222 0.660 599 HA LEU 82 HA LEU 82 13.108 0.713 -1.544 600 HB2 LEU 82 HB2 LEU 82 11.996 2.237 0.792 601 HB3 LEU 82 HB1 LEU 82 12.670 2.988 -0.637 602 HG LEU 82 HG LEU 82 10.232 1.225 -0.537 603 HD11 LEU 82 HD11 LEU 82 9.049 3.264 -1.140 604 HD12 LEU 82 HD12 LEU 82 10.561 4.169 -1.043 605 HD13 LEU 82 HD13 LEU 82 9.879 3.428 0.405 606 HD21 LEU 82 HD21 LEU 82 11.501 2.666 -2.863 607 HD22 LEU 82 HD22 LEU 82 9.959 1.809 -2.899 608 HD23 LEU 82 HD23 LEU 82 11.458 0.921 -2.624 609 H ALA 83 HN ALA 83 14.072 0.511 1.802 610 HA ALA 83 HA ALA 83 16.371 2.149 1.641 611 HB1 ALA 83 HB1 ALA 83 17.132 0.968 3.652 612 HB2 ALA 83 HB2 ALA 83 15.901 -0.269 3.394 613 HB3 ALA 83 HB3 ALA 83 15.422 1.383 3.778 614 H GLU 84 HN GLU 84 15.673 -0.980 0.467 615 HA GLU 84 HA GLU 84 18.476 -1.506 -0.197 616 HB2 GLU 84 HB2 GLU 84 16.132 -3.379 0.119 617 HB3 GLU 84 HB1 GLU 84 17.765 -3.855 -0.318 618 HG2 GLU 84 HG2 GLU 84 18.580 -3.084 1.847 619 HG3 GLU 84 HG1 GLU 84 16.949 -2.573 2.280 620 H ALA 85 HN ALA 85 16.201 0.083 -1.546 621 HA ALA 85 HA ALA 85 16.001 -1.396 -4.076 622 HB1 ALA 85 HB1 ALA 85 14.124 0.080 -4.599 623 HB2 ALA 85 HB2 ALA 85 14.406 0.981 -3.110 624 HB3 ALA 85 HB3 ALA 85 13.875 -0.698 -3.037 625 H ALA 86 HN ALA 86 15.468 0.823 -5.741 626 HA ALA 86 HA ALA 86 18.031 2.227 -5.663 627 HB1 ALA 86 HB1 ALA 86 17.997 0.513 -7.409 628 HB2 ALA 86 HB2 ALA 86 18.026 2.133 -8.106 629 HB3 ALA 86 HB3 ALA 86 16.520 1.215 -8.070 630 H281 PSR 87 H28A PSR 87 -6.468 -11.430 -6.221 631 H282 PSR 87 H28B PSR 87 -5.847 -10.467 -4.878 632 H301 PSR 87 H30A PSR 87 -4.284 -10.450 -7.175 633 H302 PSR 87 H30B PSR 87 -2.736 -11.010 -6.526 634 H303 PSR 87 H30C PSR 87 -3.754 -9.922 -5.577 635 H311 PSR 87 H31A PSR 87 -2.665 -12.595 -4.630 636 H312 PSR 87 H31B PSR 87 -4.175 -13.094 -3.867 637 H313 PSR 87 H31C PSR 87 -3.622 -11.427 -3.715 638 H321 PSR 87 H32A PSR 87 -3.418 -13.484 -6.828 639 H331 PSR 87 H33A PSR 87 -5.613 -13.398 -8.127 640 H361 PSR 87 H36A PSR 87 -4.141 -14.661 -4.700 641 H371 PSR 87 H37A PSR 87 -6.512 -16.281 -5.294 642 H372 PSR 87 H37B PSR 87 -5.033 -16.960 -4.589 643 H381 PSR 87 H38A PSR 87 -6.754 -14.828 -3.290 644 H382 PSR 87 H38B PSR 87 -6.983 -16.533 -3.056 645 H411 PSR 87 H41A PSR 87 -6.376 -14.563 -1.160 646 H421 PSR 87 H42A PSR 87 -5.135 -15.548 0.873 647 H422 PSR 87 H42B PSR 87 -3.712 -15.216 -0.131 648 H431 PSR 87 H43A PSR 87 -4.088 -13.395 1.423 649 H432 PSR 87 H43B PSR 87 -5.712 -13.153 0.733 650 HC21 PSR 87 H2A PSR 87 -2.691 -10.473 -1.493 651 HC22 PSR 87 H2B PSR 87 -2.374 -9.746 0.080 652 HC31 PSR 87 H3A PSR 87 -4.230 -8.234 -0.199 653 HC32 PSR 87 H3B PSR 87 -4.650 -8.998 -1.746 654 HC41 PSR 87 H4C PSR 87 -3.351 -6.955 -2.068 655 HC42 PSR 87 H4A PSR 87 -2.451 -8.368 -2.612 656 HC43 PSR 87 H4B PSR 87 -2.058 -7.619 -1.067 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 18.206 11.848 5.429 2 H2 MET 1 HT2 MET 1 19.043 10.414 5.083 3 H3 MET 1 HT3 MET 1 17.358 10.403 5.315 4 HA MET 1 HA MET 1 16.917 11.652 3.452 5 HB2 MET 1 HB2 MET 1 18.657 12.311 1.834 6 HB3 MET 1 HB1 MET 1 18.933 13.064 3.392 7 HG2 MET 1 HG2 MET 1 20.710 11.467 3.865 8 HG3 MET 1 HG1 MET 1 20.406 10.654 2.333 9 HE1 MET 1 HE1 MET 1 22.924 10.845 1.611 10 HE2 MET 1 HE2 MET 1 23.298 11.609 3.156 11 HE3 MET 1 HE3 MET 1 23.850 12.345 1.652 12 H ALA 2 HN ALA 2 15.858 10.193 2.417 13 HA ALA 2 HA ALA 2 17.135 8.221 0.804 14 HB1 ALA 2 HB1 ALA 2 16.118 6.266 1.885 15 HB2 ALA 2 HB2 ALA 2 15.519 7.292 3.188 16 HB3 ALA 2 HB3 ALA 2 17.255 7.067 2.970 17 H THR 3 HN THR 3 15.682 7.448 -0.733 18 HA THR 3 HA THR 3 13.206 8.886 -0.877 19 HB THR 3 HB THR 3 14.428 8.580 -2.963 20 HG1 THR 3 HG1 THR 3 12.390 8.623 -3.506 21 HG21 THR 3 HG21 THR 3 15.657 6.525 -2.488 22 HG22 THR 3 HG22 THR 3 14.788 6.377 -4.017 23 HG23 THR 3 HG23 THR 3 14.163 5.592 -2.565 24 H LEU 4 HN LEU 4 11.630 8.295 0.343 25 HA LEU 4 HA LEU 4 10.980 5.458 0.761 26 HB2 LEU 4 HB2 LEU 4 11.049 7.594 2.902 27 HB3 LEU 4 HB1 LEU 4 10.442 5.970 3.119 28 HG LEU 4 HG LEU 4 13.319 6.692 2.536 29 HD11 LEU 4 HD11 LEU 4 11.978 5.784 5.074 30 HD12 LEU 4 HD12 LEU 4 12.618 7.396 4.752 31 HD13 LEU 4 HD13 LEU 4 13.713 6.016 4.851 32 HD21 LEU 4 HD21 LEU 4 12.046 4.048 3.239 33 HD22 LEU 4 HD22 LEU 4 13.776 4.350 3.059 34 HD23 LEU 4 HD23 LEU 4 12.706 4.492 1.665 35 H LEU 5 HN LEU 5 8.740 5.221 1.598 36 HA LEU 5 HA LEU 5 6.907 6.820 0.074 37 HB2 LEU 5 HB2 LEU 5 6.588 4.566 2.024 38 HB3 LEU 5 HB1 LEU 5 5.231 5.411 1.338 39 HG LEU 5 HG LEU 5 7.242 3.937 -0.360 40 HD11 LEU 5 HD11 LEU 5 6.171 2.433 1.288 41 HD12 LEU 5 HD12 LEU 5 5.584 2.131 -0.349 42 HD13 LEU 5 HD13 LEU 5 4.594 3.046 0.791 43 HD21 LEU 5 HD21 LEU 5 4.405 4.859 -0.793 44 HD22 LEU 5 HD22 LEU 5 5.407 3.988 -1.955 45 HD23 LEU 5 HD23 LEU 5 5.846 5.623 -1.462 46 H THR 6 HN THR 6 5.794 8.501 0.825 47 HA THR 6 HA THR 6 5.613 8.845 3.714 48 HB THR 6 HB THR 6 4.515 11.044 3.122 49 HG1 THR 6 HG1 THR 6 5.307 10.312 0.469 50 HG21 THR 6 HG21 THR 6 6.904 10.979 3.645 51 HG22 THR 6 HG22 THR 6 6.572 12.187 2.405 52 HG23 THR 6 HG23 THR 6 7.271 10.633 1.956 53 H THR 7 HN THR 7 3.271 9.549 4.394 54 HA THR 7 HA THR 7 1.436 7.559 3.836 55 HB THR 7 HB THR 7 0.706 10.412 4.552 56 HG1 THR 7 HG1 THR 7 0.975 9.492 6.784 57 HG21 THR 7 HG21 THR 7 -1.169 8.888 4.100 58 HG22 THR 7 HG22 THR 7 -1.111 9.281 5.818 59 HG23 THR 7 HG23 THR 7 -0.517 7.722 5.245 60 H ASP 8 HN ASP 8 1.814 10.797 2.474 61 HA ASP 8 HA ASP 8 -0.318 10.848 0.702 62 HB2 ASP 8 HB2 ASP 8 0.777 12.871 1.123 63 HB3 ASP 8 HB1 ASP 8 2.342 12.224 0.643 64 H ASP 9 HN ASP 9 2.873 9.401 0.184 65 HA ASP 9 HA ASP 9 2.543 9.042 -2.628 66 HB2 ASP 9 HB2 ASP 9 4.278 7.455 -0.719 67 HB3 ASP 9 HB1 ASP 9 4.307 7.278 -2.467 68 H LEU 10 HN LEU 10 1.851 7.038 0.158 69 HA LEU 10 HA LEU 10 0.754 4.852 -1.251 70 HB2 LEU 10 HB2 LEU 10 0.130 5.961 1.481 71 HB3 LEU 10 HB1 LEU 10 -0.452 4.438 0.869 72 HG LEU 10 HG LEU 10 2.436 5.106 1.425 73 HD11 LEU 10 HD11 LEU 10 1.050 4.968 3.442 74 HD12 LEU 10 HD12 LEU 10 2.143 3.591 3.319 75 HD13 LEU 10 HD13 LEU 10 0.438 3.400 2.913 76 HD21 LEU 10 HD21 LEU 10 2.784 2.708 1.099 77 HD22 LEU 10 HD22 LEU 10 2.148 3.461 -0.364 78 HD23 LEU 10 HD23 LEU 10 1.082 2.517 0.673 79 H ARG 11 HN ARG 11 -0.540 7.667 0.318 80 HA ARG 11 HA ARG 11 -3.217 7.257 0.185 81 HB2 ARG 11 HB2 ARG 11 -1.843 8.971 1.456 82 HB3 ARG 11 HB1 ARG 11 -1.891 9.956 0.014 83 HG2 ARG 11 HG2 ARG 11 -4.391 9.016 1.325 84 HG3 ARG 11 HG1 ARG 11 -3.539 10.401 1.979 85 HD2 ARG 11 HD2 ARG 11 -4.781 10.022 -0.759 86 HD3 ARG 11 HD1 ARG 11 -5.241 11.204 0.466 87 HE ARG 11 HE ARG 11 -2.725 11.906 -0.002 88 HH11 ARG 11 HH11 ARG 11 -5.562 11.577 -2.043 89 HH12 ARG 11 HH12 ARG 11 -4.873 12.261 -3.431 90 HH21 ARG 11 HH21 ARG 11 -1.710 12.936 -1.896 91 HH22 ARG 11 HH22 ARG 11 -2.634 13.117 -3.334 92 H ARG 12 HN ARG 12 -1.344 9.059 -2.231 93 HA ARG 12 HA ARG 12 -3.544 9.543 -3.900 94 HB2 ARG 12 HB2 ARG 12 -1.876 9.972 -5.700 95 HB3 ARG 12 HB1 ARG 12 -1.560 10.838 -4.211 96 HG2 ARG 12 HG2 ARG 12 0.123 9.043 -3.656 97 HG3 ARG 12 HG1 ARG 12 -0.096 8.451 -5.306 98 HD2 ARG 12 HD2 ARG 12 1.827 9.957 -5.151 99 HD3 ARG 12 HD1 ARG 12 0.564 10.637 -6.181 100 HE ARG 12 HE ARG 12 0.752 11.412 -3.357 101 HH11 ARG 12 HH11 ARG 12 1.117 12.395 -6.747 102 HH12 ARG 12 HH12 ARG 12 0.892 14.053 -6.409 103 HH21 ARG 12 HH21 ARG 12 0.493 13.614 -2.933 104 HH22 ARG 12 HH22 ARG 12 0.541 14.806 -4.144 105 H ALA 13 HN ALA 13 -1.336 6.794 -3.850 106 HA ALA 13 HA ALA 13 -2.407 5.524 -6.163 107 HB1 ALA 13 HB1 ALA 13 -0.144 5.045 -5.331 108 HB2 ALA 13 HB2 ALA 13 -1.115 3.575 -5.456 109 HB3 ALA 13 HB3 ALA 13 -0.837 4.318 -3.881 110 H LEU 14 HN LEU 14 -3.000 5.250 -2.716 111 HA LEU 14 HA LEU 14 -4.761 3.051 -2.705 112 HB2 LEU 14 HB2 LEU 14 -4.229 5.309 -0.836 113 HB3 LEU 14 HB1 LEU 14 -5.714 4.425 -0.621 114 HG LEU 14 HG LEU 14 -4.007 3.661 0.914 115 HD11 LEU 14 HD11 LEU 14 -4.628 1.613 -1.169 116 HD12 LEU 14 HD12 LEU 14 -5.616 2.053 0.226 117 HD13 LEU 14 HD13 LEU 14 -4.043 1.284 0.459 118 HD21 LEU 14 HD21 LEU 14 -2.006 4.145 -0.351 119 HD22 LEU 14 HD22 LEU 14 -2.409 2.871 -1.504 120 HD23 LEU 14 HD23 LEU 14 -2.024 2.461 0.169 121 H VAL 15 HN VAL 15 -5.403 6.518 -3.037 122 HA VAL 15 HA VAL 15 -8.195 6.376 -3.061 123 HB VAL 15 HB VAL 15 -6.380 8.352 -4.504 124 HG11 VAL 15 HG11 VAL 15 -8.342 9.831 -4.620 125 HG12 VAL 15 HG12 VAL 15 -9.347 8.552 -3.937 126 HG13 VAL 15 HG13 VAL 15 -8.611 8.343 -5.526 127 HG21 VAL 15 HG21 VAL 15 -6.923 9.831 -2.631 128 HG22 VAL 15 HG22 VAL 15 -6.132 8.355 -2.081 129 HG23 VAL 15 HG23 VAL 15 -7.874 8.544 -1.892 130 H GLU 16 HN GLU 16 -5.912 6.183 -5.742 131 HA GLU 16 HA GLU 16 -7.861 6.029 -7.752 132 HB2 GLU 16 HB2 GLU 16 -4.962 5.252 -7.803 133 HB3 GLU 16 HB1 GLU 16 -5.982 5.315 -9.233 134 HG2 GLU 16 HG2 GLU 16 -6.411 7.707 -8.768 135 HG3 GLU 16 HG1 GLU 16 -5.285 7.609 -7.416 136 H SER 17 HN SER 17 -6.115 3.339 -6.092 137 HA SER 17 HA SER 17 -7.439 1.439 -7.777 138 HB2 SER 17 HB2 SER 17 -6.259 -0.264 -6.179 139 HB3 SER 17 HB1 SER 17 -5.257 0.828 -7.110 140 HG SER 17 HG SER 17 -5.954 1.105 -4.366 141 H ALA 18 HN ALA 18 -8.446 3.193 -5.174 142 HA ALA 18 HA ALA 18 -10.292 1.143 -4.186 143 HB1 ALA 18 HB1 ALA 18 -9.851 3.929 -3.176 144 HB2 ALA 18 HB2 ALA 18 -9.000 2.515 -2.588 145 HB3 ALA 18 HB3 ALA 18 -10.754 2.642 -2.375 146 H GLY 19 HN GLY 19 -10.317 4.487 -5.350 147 HA2 GLY 19 HA2 GLY 19 -13.183 4.604 -5.340 148 HA3 GLY 19 HA1 GLY 19 -12.074 5.880 -5.794 149 H GLU 20 HN GLU 20 -11.727 2.848 -7.298 150 HA GLU 20 HA GLU 20 -12.435 3.938 -9.834 151 HB2 GLU 20 HB2 GLU 20 -10.601 2.322 -9.682 152 HB3 GLU 20 HB1 GLU 20 -11.688 1.116 -9.009 153 HG2 GLU 20 HG2 GLU 20 -11.092 0.826 -11.428 154 HG3 GLU 20 HG1 GLU 20 -12.818 0.848 -11.067 155 H THR 21 HN THR 21 -14.404 4.251 -10.348 156 HA THR 21 HA THR 21 -16.555 4.027 -10.763 157 HB THR 21 HB THR 21 -16.284 1.090 -9.983 158 HG1 THR 21 HG1 THR 21 -14.871 2.052 -11.747 159 HG21 THR 21 HG21 THR 21 -18.231 0.780 -11.463 160 HG22 THR 21 HG22 THR 21 -18.255 2.524 -11.784 161 HG23 THR 21 HG23 THR 21 -18.595 1.924 -10.161 162 H ASP 22 HN ASP 22 -15.844 5.163 -8.512 163 HA ASP 22 HA ASP 22 -18.228 5.342 -7.112 164 HB2 ASP 22 HB2 ASP 22 -17.603 3.187 -6.040 165 HB3 ASP 22 HB1 ASP 22 -16.098 3.892 -5.474 166 H GLY 23 HN GLY 23 -15.040 5.444 -5.655 167 HA2 GLY 23 HA2 GLY 23 -13.591 7.232 -5.375 168 HA3 GLY 23 HA1 GLY 23 -14.722 8.250 -6.254 169 H THR 24 HN THR 24 -13.264 8.668 -3.775 170 HA THR 24 HA THR 24 -13.547 9.846 -1.878 171 HB THR 24 HB THR 24 -16.532 9.949 -2.502 172 HG1 THR 24 HG1 THR 24 -15.226 10.788 -4.219 173 HG21 THR 24 HG21 THR 24 -16.474 12.010 -1.145 174 HG22 THR 24 HG22 THR 24 -14.750 11.778 -0.858 175 HG23 THR 24 HG23 THR 24 -15.915 10.628 -0.203 176 H ASP 25 HN ASP 25 -12.925 7.830 -1.098 177 HA ASP 25 HA ASP 25 -14.876 6.669 0.708 178 HB2 ASP 25 HB2 ASP 25 -14.020 4.340 0.161 179 HB3 ASP 25 HB1 ASP 25 -15.002 5.108 -1.078 180 H LEU 26 HN LEU 26 -11.518 5.634 0.022 181 HA LEU 26 HA LEU 26 -10.888 6.194 2.816 182 HB2 LEU 26 HB2 LEU 26 -8.741 5.027 2.322 183 HB3 LEU 26 HB1 LEU 26 -10.159 4.047 2.039 184 HG LEU 26 HG LEU 26 -9.873 4.534 -0.434 185 HD11 LEU 26 HD11 LEU 26 -7.675 5.209 -1.226 186 HD12 LEU 26 HD12 LEU 26 -7.177 5.540 0.433 187 HD13 LEU 26 HD13 LEU 26 -8.459 6.498 -0.310 188 HD21 LEU 26 HD21 LEU 26 -9.240 2.423 0.508 189 HD22 LEU 26 HD22 LEU 26 -7.678 3.079 1.001 190 HD23 LEU 26 HD23 LEU 26 -8.065 2.914 -0.710 191 H SER 27 HN SER 27 -11.028 7.883 0.194 192 HA SER 27 HA SER 27 -8.666 9.181 -0.304 193 HB2 SER 27 HB2 SER 27 -10.378 11.037 -1.002 194 HB3 SER 27 HB1 SER 27 -10.313 9.498 -1.871 195 HG SER 27 HG SER 27 -12.147 10.254 0.181 196 H GLY 28 HN GLY 28 -7.463 10.077 1.151 197 HA2 GLY 28 HA2 GLY 28 -7.274 12.275 2.319 198 HA3 GLY 28 HA1 GLY 28 -8.693 11.740 3.226 199 H ASP 29 HN ASP 29 -8.399 9.425 4.125 200 HA ASP 29 HA ASP 29 -5.720 8.865 4.973 201 HB2 ASP 29 HB2 ASP 29 -6.206 10.499 6.656 202 HB3 ASP 29 HB1 ASP 29 -7.787 9.790 6.974 203 H PHE 30 HN PHE 30 -5.414 6.936 5.638 204 HA PHE 30 HA PHE 30 -7.501 4.937 6.163 205 HB2 PHE 30 HB2 PHE 30 -6.320 3.430 4.473 206 HB3 PHE 30 HB1 PHE 30 -7.382 4.568 3.702 207 HD1 PHE 30 HD1 PHE 30 -3.925 3.579 4.369 208 HD2 PHE 30 HD2 PHE 30 -6.391 6.466 2.467 209 HE1 PHE 30 HE1 PHE 30 -1.970 4.446 3.170 210 HE2 PHE 30 HE2 PHE 30 -4.432 7.314 1.267 211 HZ PHE 30 HZ PHE 30 -2.231 6.300 1.627 212 H LEU 31 HN LEU 31 -4.573 6.361 6.849 213 HA LEU 31 HA LEU 31 -2.627 4.409 6.573 214 HB2 LEU 31 HB2 LEU 31 -2.168 6.795 6.774 215 HB3 LEU 31 HB1 LEU 31 -2.681 6.756 8.450 216 HG LEU 31 HG LEU 31 -0.815 5.150 8.910 217 HD11 LEU 31 HD11 LEU 31 -0.474 4.297 6.671 218 HD12 LEU 31 HD12 LEU 31 1.016 4.998 7.298 219 HD13 LEU 31 HD13 LEU 31 0.050 5.889 6.122 220 HD21 LEU 31 HD21 LEU 31 0.941 6.860 8.904 221 HD22 LEU 31 HD22 LEU 31 -0.602 7.519 9.446 222 HD23 LEU 31 HD23 LEU 31 -0.030 7.848 7.811 223 H ASP 32 HN ASP 32 -4.746 5.077 9.268 224 HA ASP 32 HA ASP 32 -3.198 3.177 10.870 225 HB2 ASP 32 HB2 ASP 32 -3.487 5.569 11.625 226 HB3 ASP 32 HB1 ASP 32 -5.187 5.194 11.869 227 H LEU 33 HN LEU 33 -6.117 3.588 9.231 228 HA LEU 33 HA LEU 33 -7.634 1.638 10.773 229 HB2 LEU 33 HB2 LEU 33 -8.168 2.907 8.071 230 HB3 LEU 33 HB1 LEU 33 -9.285 1.876 8.936 231 HG LEU 33 HG LEU 33 -8.352 4.587 9.879 232 HD11 LEU 33 HD11 LEU 33 -10.965 3.728 8.642 233 HD12 LEU 33 HD12 LEU 33 -9.742 4.746 7.885 234 HD13 LEU 33 HD13 LEU 33 -10.615 5.324 9.303 235 HD21 LEU 33 HD21 LEU 33 -10.149 4.365 11.524 236 HD22 LEU 33 HD22 LEU 33 -8.948 3.086 11.710 237 HD23 LEU 33 HD23 LEU 33 -10.493 2.738 10.934 238 H ARG 34 HN ARG 34 -8.394 -0.402 9.546 239 HA ARG 34 HA ARG 34 -6.090 -1.469 8.184 240 HB2 ARG 34 HB2 ARG 34 -8.648 -2.680 9.103 241 HB3 ARG 34 HB1 ARG 34 -7.601 -3.515 7.974 242 HG2 ARG 34 HG2 ARG 34 -5.774 -3.219 9.699 243 HG3 ARG 34 HG1 ARG 34 -7.081 -2.775 10.817 244 HD2 ARG 34 HD2 ARG 34 -8.238 -4.846 10.326 245 HD3 ARG 34 HD1 ARG 34 -6.982 -5.213 9.129 246 HE ARG 34 HE ARG 34 -5.479 -5.094 11.193 247 HH11 ARG 34 HH11 ARG 34 -8.786 -6.217 11.345 248 HH12 ARG 34 HH12 ARG 34 -8.499 -7.653 12.200 249 HH21 ARG 34 HH21 ARG 34 -4.964 -7.031 12.335 250 HH22 ARG 34 HH22 ARG 34 -6.185 -8.146 12.818 251 H PHE 35 HN PHE 35 -6.320 -2.693 6.221 252 HA PHE 35 HA PHE 35 -7.430 -1.273 4.080 253 HB2 PHE 35 HB2 PHE 35 -6.847 -4.245 4.216 254 HB3 PHE 35 HB1 PHE 35 -7.002 -3.303 2.741 255 HD1 PHE 35 HD2 PHE 35 -5.238 -1.593 2.223 256 HD2 PHE 35 HD1 PHE 35 -4.902 -4.406 5.381 257 HE1 PHE 35 HE2 PHE 35 -2.800 -1.232 2.284 258 HE2 PHE 35 HE1 PHE 35 -2.523 -4.075 5.472 259 HZ PHE 35 HZ PHE 35 -1.425 -2.478 3.910 260 H GLU 36 HN GLU 36 -8.564 -3.913 6.044 261 HA GLU 36 HA GLU 36 -10.948 -4.623 4.840 262 HB2 GLU 36 HB2 GLU 36 -10.346 -4.443 7.789 263 HB3 GLU 36 HB1 GLU 36 -11.671 -5.348 7.075 264 HG2 GLU 36 HG2 GLU 36 -8.739 -5.861 6.621 265 HG3 GLU 36 HG1 GLU 36 -9.799 -6.785 7.681 266 H ASP 37 HN ASP 37 -10.232 -1.769 6.788 267 HA ASP 37 HA ASP 37 -13.019 -1.044 7.079 268 HB2 ASP 37 HB2 ASP 37 -10.511 0.513 7.745 269 HB3 ASP 37 HB1 ASP 37 -12.147 0.975 8.176 270 H ILE 38 HN ILE 38 -10.437 -0.560 4.906 271 HA ILE 38 HA ILE 38 -11.765 1.774 3.764 272 HB ILE 38 HB ILE 38 -9.725 2.238 2.496 273 HG12 ILE 38 HG12 ILE 38 -8.536 -0.139 3.962 274 HG13 ILE 38 HG11 ILE 38 -8.861 -0.154 2.245 275 HG21 ILE 38 HG21 ILE 38 -10.007 3.213 4.687 276 HG22 ILE 38 HG22 ILE 38 -8.301 2.847 4.410 277 HG23 ILE 38 HG23 ILE 38 -9.276 1.796 5.440 278 HD11 ILE 38 HD11 ILE 38 -6.523 0.183 2.655 279 HD12 ILE 38 HD12 ILE 38 -6.858 1.561 3.703 280 HD13 ILE 38 HD13 ILE 38 -7.198 1.664 1.975 281 H GLY 39 HN GLY 39 -12.434 -1.113 3.480 282 HA2 GLY 39 HA2 GLY 39 -13.569 -2.321 1.913 283 HA3 GLY 39 HA1 GLY 39 -13.521 -0.896 0.891 284 H TYR 40 HN TYR 40 -10.689 -2.611 2.077 285 HA TYR 40 HA TYR 40 -10.074 -3.111 -0.691 286 HB2 TYR 40 HB2 TYR 40 -8.374 -2.583 1.687 287 HB3 TYR 40 HB1 TYR 40 -7.726 -3.718 0.547 288 HD1 TYR 40 HD2 TYR 40 -9.930 -0.928 -0.391 289 HD2 TYR 40 HD1 TYR 40 -5.959 -2.392 -0.243 290 HE1 TYR 40 HE2 TYR 40 -9.240 0.842 -1.907 291 HE2 TYR 40 HE1 TYR 40 -5.245 -0.618 -1.778 292 HH TYR 40 HH TYR 40 -7.176 2.060 -2.580 293 H ASP 41 HN ASP 41 -10.410 -4.885 -1.586 294 HA ASP 41 HA ASP 41 -11.232 -7.159 -0.040 295 HB2 ASP 41 HB2 ASP 41 -11.980 -8.063 -2.220 296 HB3 ASP 41 HB1 ASP 41 -12.616 -6.458 -1.928 297 H SER 42 HN SER 42 -9.014 -6.578 -2.663 298 HA SER 42 HA SER 42 -6.802 -8.060 -1.791 299 HB2 SER 42 HB2 SER 42 -7.080 -10.063 -3.265 300 HB3 SER 42 HB1 SER 42 -8.287 -10.022 -1.976 301 H LEU 43 HN LEU 43 -8.836 -7.715 -4.601 302 HA LEU 43 HA LEU 43 -6.970 -7.275 -6.614 303 HB2 LEU 43 HB2 LEU 43 -9.403 -7.782 -6.885 304 HB3 LEU 43 HB1 LEU 43 -9.779 -6.158 -6.376 305 HG LEU 43 HG LEU 43 -8.260 -6.816 -8.923 306 HD11 LEU 43 HD11 LEU 43 -10.377 -6.405 -10.071 307 HD12 LEU 43 HD12 LEU 43 -11.186 -6.235 -8.511 308 HD13 LEU 43 HD13 LEU 43 -10.487 -7.785 -8.979 309 HD21 LEU 43 HD21 LEU 43 -8.888 -4.540 -9.600 310 HD22 LEU 43 HD22 LEU 43 -7.938 -4.494 -8.119 311 HD23 LEU 43 HD23 LEU 43 -9.687 -4.288 -8.050 312 H ALA 44 HN ALA 44 -8.766 -4.978 -4.631 313 HA ALA 44 HA ALA 44 -7.647 -2.667 -5.726 314 HB1 ALA 44 HB1 ALA 44 -8.739 -3.056 -2.946 315 HB2 ALA 44 HB2 ALA 44 -9.689 -2.686 -4.387 316 HB3 ALA 44 HB3 ALA 44 -8.520 -1.515 -3.777 317 H LEU 45 HN LEU 45 -6.633 -4.566 -2.897 318 HA LEU 45 HA LEU 45 -4.620 -2.739 -2.086 319 HB2 LEU 45 HB2 LEU 45 -5.692 -4.503 -0.608 320 HB3 LEU 45 HB1 LEU 45 -4.722 -5.701 -1.426 321 HG LEU 45 HG LEU 45 -3.540 -3.417 0.201 322 HD11 LEU 45 HD11 LEU 45 -4.861 -4.862 1.639 323 HD12 LEU 45 HD12 LEU 45 -3.123 -5.006 1.919 324 HD13 LEU 45 HD13 LEU 45 -3.976 -6.273 1.025 325 HD21 LEU 45 HD21 LEU 45 -1.535 -4.778 0.242 326 HD22 LEU 45 HD22 LEU 45 -2.012 -4.383 -1.420 327 HD23 LEU 45 HD23 LEU 45 -2.338 -5.992 -0.765 328 H MET 46 HN MET 46 -4.529 -5.641 -4.062 329 HA MET 46 HA MET 46 -1.704 -5.629 -4.337 330 HB2 MET 46 HB2 MET 46 -1.983 -7.375 -5.945 331 HB3 MET 46 HB1 MET 46 -3.199 -7.624 -4.704 332 HG2 MET 46 HG2 MET 46 -4.520 -7.933 -6.542 333 HG3 MET 46 HG1 MET 46 -4.613 -6.172 -6.336 334 HE1 MET 46 HE1 MET 46 -1.704 -8.100 -9.363 335 HE2 MET 46 HE2 MET 46 -2.739 -9.052 -8.301 336 HE3 MET 46 HE3 MET 46 -1.440 -8.073 -7.619 337 H GLU 47 HN GLU 47 -4.320 -4.090 -6.075 338 HA GLU 47 HA GLU 47 -2.908 -3.273 -8.363 339 HB2 GLU 47 HB2 GLU 47 -5.408 -3.281 -8.037 340 HB3 GLU 47 HB1 GLU 47 -5.229 -1.902 -6.973 341 HG2 GLU 47 HG2 GLU 47 -5.976 -1.207 -9.152 342 HG3 GLU 47 HG1 GLU 47 -4.358 -0.585 -8.834 343 H THR 48 HN THR 48 -3.418 -1.856 -5.164 344 HA THR 48 HA THR 48 -1.985 0.525 -5.467 345 HB THR 48 HB THR 48 -2.129 -1.238 -3.011 346 HG1 THR 48 HG1 THR 48 -4.084 0.386 -4.248 347 HG21 THR 48 HG21 THR 48 -1.981 0.895 -1.809 348 HG22 THR 48 HG22 THR 48 -1.847 1.746 -3.348 349 HG23 THR 48 HG23 THR 48 -0.578 0.631 -2.842 350 H ALA 49 HN ALA 49 -0.990 -2.607 -4.081 351 HA ALA 49 HA ALA 49 1.649 -2.012 -3.485 352 HB1 ALA 49 HB1 ALA 49 0.541 -4.701 -4.207 353 HB2 ALA 49 HB2 ALA 49 0.501 -3.972 -2.590 354 HB3 ALA 49 HB3 ALA 49 2.050 -4.371 -3.366 355 H ALA 50 HN ALA 50 0.460 -3.749 -6.373 356 HA ALA 50 HA ALA 50 2.946 -4.267 -7.512 357 HB1 ALA 50 HB1 ALA 50 1.750 -4.604 -9.614 358 HB2 ALA 50 HB2 ALA 50 0.340 -3.773 -8.955 359 HB3 ALA 50 HB3 ALA 50 0.857 -5.311 -8.267 360 H ARG 51 HN ARG 51 0.908 -1.463 -7.748 361 HA ARG 51 HA ARG 51 2.317 -0.080 -9.767 362 HB2 ARG 51 HB2 ARG 51 0.011 0.403 -8.997 363 HB3 ARG 51 HB1 ARG 51 0.674 1.015 -7.494 364 HG2 ARG 51 HG2 ARG 51 1.809 2.786 -8.712 365 HG3 ARG 51 HG1 ARG 51 1.154 2.154 -10.230 366 HD2 ARG 51 HD2 ARG 51 -1.118 2.438 -9.296 367 HD3 ARG 51 HD1 ARG 51 -0.402 3.211 -7.887 368 HE ARG 51 HE ARG 51 0.409 4.415 -10.333 369 HH11 ARG 51 HH11 ARG 51 -2.260 4.329 -7.976 370 HH12 ARG 51 HH12 ARG 51 -2.760 5.926 -8.425 371 HH21 ARG 51 HH21 ARG 51 -0.397 6.542 -10.866 372 HH22 ARG 51 HH22 ARG 51 -1.771 7.117 -10.000 373 H LEU 52 HN LEU 52 2.443 0.004 -6.233 374 HA LEU 52 HA LEU 52 4.446 1.989 -6.027 375 HB2 LEU 52 HB2 LEU 52 3.675 -0.163 -4.061 376 HB3 LEU 52 HB1 LEU 52 4.680 1.223 -3.698 377 HG LEU 52 HG LEU 52 1.775 1.325 -4.502 378 HD11 LEU 52 HD11 LEU 52 1.402 2.049 -2.210 379 HD12 LEU 52 HD12 LEU 52 3.118 1.823 -1.866 380 HD13 LEU 52 HD13 LEU 52 2.108 0.430 -2.268 381 HD21 LEU 52 HD21 LEU 52 3.000 3.289 -5.271 382 HD22 LEU 52 HD22 LEU 52 3.653 3.526 -3.649 383 HD23 LEU 52 HD23 LEU 52 1.922 3.700 -3.937 384 H GLU 53 HN GLU 53 4.572 -1.554 -6.034 385 HA GLU 53 HA GLU 53 7.299 -1.947 -5.650 386 HB2 GLU 53 HB2 GLU 53 5.484 -3.488 -7.504 387 HB3 GLU 53 HB1 GLU 53 7.053 -4.021 -6.933 388 HG2 GLU 53 HG2 GLU 53 6.133 -3.989 -4.617 389 HG3 GLU 53 HG1 GLU 53 4.566 -3.613 -5.322 390 H SER 54 HN SER 54 5.474 -1.376 -8.535 391 HA SER 54 HA SER 54 7.603 -1.502 -10.383 392 HB2 SER 54 HB2 SER 54 4.998 0.014 -10.615 393 HB3 SER 54 HB1 SER 54 6.066 -0.406 -11.957 394 HG SER 54 HG SER 54 4.670 -2.185 -10.229 395 H ARG 55 HN ARG 55 6.192 1.269 -8.669 396 HA ARG 55 HA ARG 55 7.685 3.270 -9.955 397 HB2 ARG 55 HB2 ARG 55 5.683 3.845 -8.693 398 HB3 ARG 55 HB1 ARG 55 6.428 3.299 -7.194 399 HG2 ARG 55 HG2 ARG 55 8.133 5.074 -7.439 400 HG3 ARG 55 HG1 ARG 55 7.291 5.647 -8.872 401 HD2 ARG 55 HD2 ARG 55 5.336 6.204 -7.533 402 HD3 ARG 55 HD1 ARG 55 6.102 5.522 -6.092 403 HE ARG 55 HE ARG 55 7.743 7.479 -7.295 404 HH11 ARG 55 HH11 ARG 55 4.850 7.316 -5.174 405 HH12 ARG 55 HH12 ARG 55 5.234 8.786 -4.398 406 HH21 ARG 55 HH21 ARG 55 8.146 9.471 -6.281 407 HH22 ARG 55 HH22 ARG 55 7.087 10.087 -5.093 408 H TYR 56 HN TYR 56 8.412 1.397 -7.061 409 HA TYR 56 HA TYR 56 10.828 3.000 -6.675 410 HB2 TYR 56 HB2 TYR 56 9.413 1.103 -4.841 411 HB3 TYR 56 HB1 TYR 56 10.966 1.840 -4.465 412 HD1 TYR 56 HD2 TYR 56 11.123 4.250 -4.071 413 HD2 TYR 56 HD1 TYR 56 7.373 2.377 -4.750 414 HE1 TYR 56 HE2 TYR 56 9.988 6.235 -3.183 415 HE2 TYR 56 HE1 TYR 56 6.224 4.341 -3.859 416 HH TYR 56 HH TYR 56 6.670 6.233 -2.420 417 H GLY 57 HN GLY 57 9.976 -0.127 -7.807 418 HA2 GLY 57 HA2 GLY 57 11.419 -1.652 -8.792 419 HA3 GLY 57 HA1 GLY 57 12.785 -0.744 -8.155 420 H VAL 58 HN VAL 58 10.002 -2.138 -6.486 421 HA VAL 58 HA VAL 58 11.881 -3.751 -4.921 422 HB VAL 58 HB VAL 58 10.321 -3.720 -3.007 423 HG11 VAL 58 HG11 VAL 58 10.652 -1.414 -2.301 424 HG12 VAL 58 HG12 VAL 58 11.052 -0.974 -3.959 425 HG13 VAL 58 HG13 VAL 58 12.098 -2.081 -3.066 426 HG21 VAL 58 HG21 VAL 58 8.718 -1.750 -4.634 427 HG22 VAL 58 HG22 VAL 58 8.437 -2.148 -2.942 428 HG23 VAL 58 HG23 VAL 58 8.217 -3.379 -4.187 429 H SER 59 HN SER 59 10.542 -5.604 -3.711 430 HA SER 59 HA SER 59 8.616 -6.784 -5.512 431 HB2 SER 59 HB2 SER 59 11.175 -8.162 -4.664 432 HB3 SER 59 HB1 SER 59 9.833 -8.939 -5.512 433 HG SER 59 HG SER 59 10.374 -6.776 -6.834 434 H ILE 60 HN ILE 60 6.987 -6.865 -4.170 435 HA ILE 60 HA ILE 60 7.328 -7.647 -1.374 436 HB ILE 60 HB ILE 60 4.868 -6.705 -2.880 437 HG12 ILE 60 HG12 ILE 60 6.658 -5.135 -1.003 438 HG13 ILE 60 HG11 ILE 60 6.620 -4.965 -2.755 439 HG21 ILE 60 HG21 ILE 60 3.884 -6.349 -0.654 440 HG22 ILE 60 HG22 ILE 60 5.329 -7.037 0.088 441 HG23 ILE 60 HG23 ILE 60 4.299 -8.042 -0.929 442 HD11 ILE 60 HD11 ILE 60 4.344 -4.398 -0.876 443 HD12 ILE 60 HD12 ILE 60 4.309 -4.211 -2.632 444 HD13 ILE 60 HD13 ILE 60 5.378 -3.200 -1.653 445 HA PRO 61 HA PRO 61 6.163 -11.829 -2.622 446 HB2 PRO 61 HB2 PRO 61 5.573 -11.944 0.304 447 HB3 PRO 61 HB1 PRO 61 6.527 -13.060 -0.691 448 HG2 PRO 61 HG2 PRO 61 7.742 -11.384 0.950 449 HG3 PRO 61 HG1 PRO 61 8.395 -11.663 -0.676 450 HD2 PRO 61 HD2 PRO 61 6.804 -9.348 0.355 451 HD3 PRO 61 HD1 PRO 61 8.205 -9.354 -0.736 452 H ASP 62 HN ASP 62 4.240 -12.391 -3.334 453 HA ASP 62 HA ASP 62 1.965 -10.820 -3.063 454 HB2 ASP 62 HB2 ASP 62 0.678 -12.589 -4.198 455 HB3 ASP 62 HB1 ASP 62 2.219 -12.302 -4.986 456 H ASP 63 HN ASP 63 2.870 -13.604 -1.145 457 HA ASP 63 HA ASP 63 0.300 -13.751 0.122 458 HB2 ASP 63 HB2 ASP 63 1.140 -15.453 1.518 459 HB3 ASP 63 HB1 ASP 63 2.015 -15.667 0.012 460 H VAL 64 HN VAL 64 3.117 -11.868 0.597 461 HA VAL 64 HA VAL 64 2.516 -11.280 3.333 462 HB VAL 64 HB VAL 64 4.622 -10.037 1.508 463 HG11 VAL 64 HG11 VAL 64 3.999 -8.475 3.295 464 HG12 VAL 64 HG12 VAL 64 5.625 -9.117 3.544 465 HG13 VAL 64 HG13 VAL 64 4.275 -9.738 4.494 466 HG21 VAL 64 HG21 VAL 64 6.197 -11.368 2.818 467 HG22 VAL 64 HG22 VAL 64 5.010 -12.383 1.998 468 HG23 VAL 64 HG23 VAL 64 4.853 -12.062 3.725 469 H ALA 65 HN ALA 65 1.685 -10.012 0.259 470 HA ALA 65 HA ALA 65 0.777 -7.483 1.134 471 HB1 ALA 65 HB1 ALA 65 -0.312 -9.120 -1.173 472 HB2 ALA 65 HB2 ALA 65 1.052 -7.993 -1.256 473 HB3 ALA 65 HB3 ALA 65 -0.563 -7.398 -0.889 474 H GLY 66 HN GLY 66 -0.383 -10.607 1.747 475 HA2 GLY 66 HA2 GLY 66 -2.955 -9.535 2.691 476 HA3 GLY 66 HA1 GLY 66 -2.607 -11.239 2.412 477 H ARG 67 HN ARG 67 0.053 -9.982 3.757 478 HA ARG 67 HA ARG 67 -0.610 -11.033 6.399 479 HB2 ARG 67 HB2 ARG 67 1.307 -12.021 5.333 480 HB3 ARG 67 HB1 ARG 67 2.032 -10.470 4.985 481 HG2 ARG 67 HG2 ARG 67 2.326 -10.129 7.427 482 HG3 ARG 67 HG1 ARG 67 1.667 -11.746 7.695 483 HD2 ARG 67 HD2 ARG 67 3.459 -12.730 6.419 484 HD3 ARG 67 HD1 ARG 67 4.079 -11.138 5.999 485 HE ARG 67 HE ARG 67 4.061 -11.192 8.727 486 HH11 ARG 67 HH11 ARG 67 5.459 -13.342 6.273 487 HH12 ARG 67 HH12 ARG 67 6.894 -13.623 7.136 488 HH21 ARG 67 HH21 ARG 67 6.102 -11.601 9.935 489 HH22 ARG 67 HH22 ARG 67 7.275 -12.605 9.193 490 H VAL 68 HN VAL 68 -0.197 -8.178 4.696 491 HA VAL 68 HA VAL 68 0.674 -6.558 6.873 492 HB VAL 68 HB VAL 68 0.133 -4.620 5.311 493 HG11 VAL 68 HG11 VAL 68 2.348 -5.602 5.391 494 HG12 VAL 68 HG12 VAL 68 1.934 -5.097 3.753 495 HG13 VAL 68 HG13 VAL 68 1.867 -6.804 4.193 496 HG21 VAL 68 HG21 VAL 68 -0.520 -6.848 3.384 497 HG22 VAL 68 HG22 VAL 68 -0.375 -5.134 2.982 498 HG23 VAL 68 HG23 VAL 68 -1.669 -5.684 4.043 499 H ASP 69 HN ASP 69 -0.481 -5.427 8.219 500 HA ASP 69 HA ASP 69 -3.252 -6.248 8.601 501 HB2 ASP 69 HB2 ASP 69 -1.439 -6.258 10.392 502 HB3 ASP 69 HB1 ASP 69 -1.538 -4.507 10.381 503 H THR 70 HN THR 70 -1.489 -3.190 8.894 504 HA THR 70 HA THR 70 -3.859 -1.752 7.986 505 HB THR 70 HB THR 70 -2.647 0.156 9.172 506 HG1 THR 70 HG1 THR 70 -1.304 -1.595 10.803 507 HG21 THR 70 HG21 THR 70 -3.482 -2.226 10.843 508 HG22 THR 70 HG22 THR 70 -4.579 -1.002 10.195 509 HG23 THR 70 HG23 THR 70 -3.386 -0.562 11.420 510 HA PRO 71 HA PRO 71 -1.430 -0.258 4.482 511 HB2 PRO 71 HB2 PRO 71 -2.164 2.468 5.467 512 HB3 PRO 71 HB1 PRO 71 -2.278 1.797 3.831 513 HG2 PRO 71 HG2 PRO 71 -4.468 2.012 5.280 514 HG3 PRO 71 HG1 PRO 71 -4.170 0.532 4.345 515 HD2 PRO 71 HD2 PRO 71 -3.830 1.028 7.271 516 HD3 PRO 71 HD1 PRO 71 -4.501 -0.390 6.437 517 H ARG 72 HN ARG 72 -1.097 1.388 7.602 518 HA ARG 72 HA ARG 72 1.447 2.483 7.311 519 HB2 ARG 72 HB2 ARG 72 -0.092 2.779 9.290 520 HB3 ARG 72 HB1 ARG 72 0.435 1.193 9.847 521 HG2 ARG 72 HG2 ARG 72 2.768 2.032 9.835 522 HG3 ARG 72 HG1 ARG 72 2.136 3.638 9.470 523 HD2 ARG 72 HD2 ARG 72 1.593 1.976 11.918 524 HD3 ARG 72 HD1 ARG 72 2.579 3.430 11.823 525 HE ARG 72 HE ARG 72 -0.338 3.353 11.443 526 HH11 ARG 72 HH11 ARG 72 2.523 5.296 12.111 527 HH12 ARG 72 HH12 ARG 72 1.780 6.355 13.206 528 HH21 ARG 72 HH21 ARG 72 -1.433 4.785 13.003 529 HH22 ARG 72 HH22 ARG 72 -0.577 6.084 13.685 530 H GLU 73 HN GLU 73 0.496 -0.815 8.104 531 HA GLU 73 HA GLU 73 3.013 -1.933 8.746 532 HB2 GLU 73 HB2 GLU 73 0.721 -2.965 9.099 533 HB3 GLU 73 HB1 GLU 73 0.663 -3.276 7.376 534 HG2 GLU 73 HG2 GLU 73 1.307 -5.305 8.238 535 HG3 GLU 73 HG1 GLU 73 2.851 -4.582 7.787 536 H LEU 74 HN LEU 74 1.167 -1.641 5.788 537 HA LEU 74 HA LEU 74 2.945 -2.977 4.031 538 HB2 LEU 74 HB2 LEU 74 0.460 -2.657 3.744 539 HB3 LEU 74 HB1 LEU 74 0.740 -0.969 3.442 540 HG LEU 74 HG LEU 74 0.176 -2.411 1.464 541 HD11 LEU 74 HD11 LEU 74 1.798 -1.363 -0.059 542 HD12 LEU 74 HD12 LEU 74 2.796 -0.917 1.326 543 HD13 LEU 74 HD13 LEU 74 1.188 -0.219 1.137 544 HD21 LEU 74 HD21 LEU 74 2.977 -3.443 1.872 545 HD22 LEU 74 HD22 LEU 74 1.980 -3.729 0.444 546 HD23 LEU 74 HD23 LEU 74 1.481 -4.367 2.009 547 H LEU 75 HN LEU 75 2.441 0.387 4.906 548 HA LEU 75 HA LEU 75 4.205 1.782 3.289 549 HB2 LEU 75 HB2 LEU 75 2.693 2.867 4.837 550 HB3 LEU 75 HB1 LEU 75 3.492 2.131 6.203 551 HG LEU 75 HG LEU 75 5.513 3.515 5.672 552 HD11 LEU 75 HD11 LEU 75 5.234 5.454 4.237 553 HD12 LEU 75 HD12 LEU 75 3.637 4.873 3.762 554 HD13 LEU 75 HD13 LEU 75 5.076 3.946 3.337 555 HD21 LEU 75 HD21 LEU 75 3.949 4.159 7.416 556 HD22 LEU 75 HD22 LEU 75 2.953 5.001 6.227 557 HD23 LEU 75 HD23 LEU 75 4.580 5.579 6.583 558 H ASP 76 HN ASP 76 4.835 0.433 6.497 559 HA ASP 76 HA ASP 76 7.609 0.918 6.548 560 HB2 ASP 76 HB2 ASP 76 6.447 0.492 8.613 561 HB3 ASP 76 HB1 ASP 76 5.950 -1.103 8.062 562 H LEU 77 HN LEU 77 5.752 -1.792 5.386 563 HA LEU 77 HA LEU 77 7.810 -3.672 5.087 564 HB2 LEU 77 HB2 LEU 77 5.461 -4.278 4.993 565 HB3 LEU 77 HB1 LEU 77 5.244 -3.325 3.542 566 HG LEU 77 HG LEU 77 6.788 -4.871 2.356 567 HD11 LEU 77 HD11 LEU 77 6.592 -6.499 4.878 568 HD12 LEU 77 HD12 LEU 77 8.038 -5.711 4.250 569 HD13 LEU 77 HD13 LEU 77 7.297 -7.036 3.351 570 HD21 LEU 77 HD21 LEU 77 4.380 -5.118 2.180 571 HD22 LEU 77 HD22 LEU 77 4.366 -6.126 3.627 572 HD23 LEU 77 HD23 LEU 77 5.172 -6.693 2.163 573 H ILE 78 HN ILE 78 6.558 -1.202 2.885 574 HA ILE 78 HA ILE 78 8.385 -2.001 0.835 575 HB ILE 78 HB ILE 78 6.655 0.491 0.991 576 HG12 ILE 78 HG12 ILE 78 6.270 -2.149 -0.442 577 HG13 ILE 78 HG11 ILE 78 5.340 -1.554 0.926 578 HG21 ILE 78 HG21 ILE 78 8.584 0.819 -0.498 579 HG22 ILE 78 HG22 ILE 78 7.089 0.727 -1.421 580 HG23 ILE 78 HG23 ILE 78 8.177 -0.661 -1.367 581 HD11 ILE 78 HD11 ILE 78 5.402 -0.351 -1.831 582 HD12 ILE 78 HD12 ILE 78 4.446 0.242 -0.469 583 HD13 ILE 78 HD13 ILE 78 4.120 -1.349 -1.159 584 H ASN 79 HN ASN 79 8.213 0.558 3.257 585 HA ASN 79 HA ASN 79 10.440 1.998 2.342 586 HB2 ASN 79 HB2 ASN 79 9.218 1.847 5.086 587 HB3 ASN 79 HB1 ASN 79 10.625 2.847 4.745 588 HD21 ASN 79 HD21 ASN 79 8.098 3.751 5.613 589 HD22 ASN 79 HD22 ASN 79 7.447 4.774 4.378 590 H GLY 80 HN GLY 80 10.293 -0.763 4.462 591 HA2 GLY 80 HA2 GLY 80 13.105 -0.724 5.057 592 HA3 GLY 80 HA1 GLY 80 12.018 -2.102 5.281 593 H ALA 81 HN ALA 81 11.122 -2.112 2.553 594 HA ALA 81 HA ALA 81 13.145 -3.765 1.422 595 HB1 ALA 81 HB1 ALA 81 10.757 -4.225 1.117 596 HB2 ALA 81 HB2 ALA 81 11.577 -4.037 -0.432 597 HB3 ALA 81 HB3 ALA 81 10.583 -2.728 0.206 598 H LEU 82 HN LEU 82 12.222 -0.458 1.116 599 HA LEU 82 HA LEU 82 13.344 0.197 -1.355 600 HB2 LEU 82 HB2 LEU 82 12.925 1.918 1.078 601 HB3 LEU 82 HB1 LEU 82 13.401 2.538 -0.492 602 HG LEU 82 HG LEU 82 10.822 1.114 0.137 603 HD11 LEU 82 HD11 LEU 82 10.880 3.361 1.027 604 HD12 LEU 82 HD12 LEU 82 9.780 3.251 -0.348 605 HD13 LEU 82 HD13 LEU 82 11.371 3.986 -0.546 606 HD21 LEU 82 HD21 LEU 82 11.808 2.327 -2.419 607 HD22 LEU 82 HD22 LEU 82 10.195 1.676 -2.134 608 HD23 LEU 82 HD23 LEU 82 11.599 0.609 -2.090 609 H ALA 83 HN ALA 83 14.860 -0.491 1.606 610 HA ALA 83 HA ALA 83 17.297 0.844 1.242 611 HB1 ALA 83 HB1 ALA 83 16.789 -1.798 2.614 612 HB2 ALA 83 HB2 ALA 83 16.578 -0.220 3.355 613 HB3 ALA 83 HB3 ALA 83 18.190 -0.752 2.858 614 H GLU 84 HN GLU 84 15.914 -1.922 -0.294 615 HA GLU 84 HA GLU 84 18.487 -2.596 -1.559 616 HB2 GLU 84 HB2 GLU 84 16.015 -4.302 -1.262 617 HB3 GLU 84 HB1 GLU 84 17.561 -4.805 -1.932 618 HG2 GLU 84 HG2 GLU 84 18.614 -4.517 0.231 619 HG3 GLU 84 HG1 GLU 84 17.090 -3.947 0.910 620 H ALA 85 HN ALA 85 16.119 -0.643 -2.162 621 HA ALA 85 HA ALA 85 15.184 -1.679 -4.728 622 HB1 ALA 85 HB1 ALA 85 13.555 -0.692 -3.186 623 HB2 ALA 85 HB2 ALA 85 13.646 0.212 -4.695 624 HB3 ALA 85 HB3 ALA 85 14.433 0.836 -3.244 625 H ALA 86 HN ALA 86 14.816 0.646 -6.156 626 HA ALA 86 HA ALA 86 17.486 1.198 -7.054 627 HB1 ALA 86 HB1 ALA 86 16.342 2.464 -8.821 628 HB2 ALA 86 HB2 ALA 86 14.803 2.228 -7.988 629 HB3 ALA 86 HB3 ALA 86 15.669 0.842 -8.655 630 H281 PSR 87 H28A PSR 87 -7.686 -10.797 -6.814 631 H282 PSR 87 H28B PSR 87 -6.996 -9.842 -5.511 632 H301 PSR 87 H30A PSR 87 -4.923 -9.660 -6.614 633 H302 PSR 87 H30B PSR 87 -5.605 -10.531 -7.992 634 H303 PSR 87 H30C PSR 87 -4.070 -11.052 -7.276 635 H311 PSR 87 H31A PSR 87 -4.855 -10.556 -4.427 636 H312 PSR 87 H31B PSR 87 -4.050 -12.033 -4.965 637 H313 PSR 87 H31C PSR 87 -5.565 -12.134 -4.072 638 H321 PSR 87 H32A PSR 87 -4.957 -13.316 -7.089 639 H331 PSR 87 H33A PSR 87 -7.585 -13.331 -7.541 640 H361 PSR 87 H36A PSR 87 -4.812 -14.251 -4.933 641 H371 PSR 87 H37A PSR 87 -6.877 -15.166 -3.273 642 H372 PSR 87 H37B PSR 87 -6.596 -16.387 -4.494 643 H381 PSR 87 H38A PSR 87 -5.314 -16.932 -2.543 644 H382 PSR 87 H38B PSR 87 -4.237 -16.555 -3.889 645 H411 PSR 87 H41A PSR 87 -5.725 -13.883 -2.330 646 H421 PSR 87 H42A PSR 87 -3.242 -13.180 -0.930 647 H422 PSR 87 H42B PSR 87 -4.386 -12.055 -1.647 648 H431 PSR 87 H43A PSR 87 -4.884 -13.756 0.791 649 H432 PSR 87 H43B PSR 87 -6.081 -12.738 -0.027 650 HC21 PSR 87 H2A PSR 87 -3.574 -8.992 0.625 651 HC22 PSR 87 H2B PSR 87 -5.125 -8.175 0.462 652 HC31 PSR 87 H3A PSR 87 -3.596 -7.494 -1.315 653 HC32 PSR 87 H3B PSR 87 -4.973 -8.383 -1.985 654 HC41 PSR 87 H4C PSR 87 -3.604 -10.407 -2.085 655 HC42 PSR 87 H4A PSR 87 -2.238 -9.518 -1.410 656 HC43 PSR 87 H4B PSR 87 -2.866 -9.093 -3.004 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 18.908 8.921 -1.392 2 H2 MET 1 HT2 MET 1 20.362 9.142 -0.535 3 H3 MET 1 HT3 MET 1 18.996 8.525 0.242 4 HA MET 1 HA MET 1 20.348 7.210 -2.041 5 HB2 MET 1 HB2 MET 1 21.744 7.071 -0.007 6 HB3 MET 1 HB1 MET 1 20.370 6.439 0.894 7 HG2 MET 1 HG2 MET 1 20.311 4.491 -0.638 8 HG3 MET 1 HG1 MET 1 21.764 5.101 -1.420 9 HE1 MET 1 HE1 MET 1 21.594 3.664 2.971 10 HE2 MET 1 HE2 MET 1 20.210 3.633 1.879 11 HE3 MET 1 HE3 MET 1 20.866 5.176 2.427 12 H ALA 2 HN ALA 2 18.052 6.837 0.663 13 HA ALA 2 HA ALA 2 16.677 4.809 -0.903 14 HB1 ALA 2 HB1 ALA 2 17.278 4.207 1.389 15 HB2 ALA 2 HB2 ALA 2 15.526 4.295 1.199 16 HB3 ALA 2 HB3 ALA 2 16.394 5.608 1.996 17 H THR 3 HN THR 3 15.297 5.805 -2.275 18 HA THR 3 HA THR 3 13.932 8.189 -1.577 19 HB THR 3 HB THR 3 12.735 7.047 -3.784 20 HG1 THR 3 HG1 THR 3 14.006 5.408 -4.247 21 HG21 THR 3 HG21 THR 3 13.637 9.341 -3.608 22 HG22 THR 3 HG22 THR 3 14.202 8.548 -5.078 23 HG23 THR 3 HG23 THR 3 15.276 8.698 -3.690 24 H LEU 4 HN LEU 4 12.390 8.041 -0.095 25 HA LEU 4 HA LEU 4 11.006 5.498 0.305 26 HB2 LEU 4 HB2 LEU 4 11.212 7.898 2.107 27 HB3 LEU 4 HB1 LEU 4 10.367 6.412 2.487 28 HG LEU 4 HG LEU 4 13.343 6.726 2.091 29 HD11 LEU 4 HD11 LEU 4 12.540 7.628 4.200 30 HD12 LEU 4 HD12 LEU 4 13.461 6.139 4.454 31 HD13 LEU 4 HD13 LEU 4 11.702 6.110 4.533 32 HD21 LEU 4 HD21 LEU 4 11.729 4.275 2.786 33 HD22 LEU 4 HD22 LEU 4 13.491 4.380 2.770 34 HD23 LEU 4 HD23 LEU 4 12.583 4.560 1.269 35 H LEU 5 HN LEU 5 8.846 6.024 1.499 36 HA LEU 5 HA LEU 5 7.222 7.805 -0.170 37 HB2 LEU 5 HB2 LEU 5 6.545 5.009 0.772 38 HB3 LEU 5 HB1 LEU 5 5.385 6.118 0.080 39 HG LEU 5 HG LEU 5 7.776 4.987 -1.373 40 HD11 LEU 5 HD11 LEU 5 6.119 3.662 -2.590 41 HD12 LEU 5 HD12 LEU 5 4.842 4.303 -1.557 42 HD13 LEU 5 HD13 LEU 5 6.105 3.280 -0.869 43 HD21 LEU 5 HD21 LEU 5 7.112 7.176 -2.187 44 HD22 LEU 5 HD22 LEU 5 5.438 6.631 -2.292 45 HD23 LEU 5 HD23 LEU 5 6.663 5.924 -3.355 46 H THR 6 HN THR 6 5.972 9.096 1.036 47 HA THR 6 HA THR 6 6.050 8.665 3.910 48 HB THR 6 HB THR 6 5.310 11.020 4.048 49 HG1 THR 6 HG1 THR 6 5.487 10.956 1.167 50 HG21 THR 6 HG21 THR 6 7.663 10.610 2.186 51 HG22 THR 6 HG22 THR 6 7.717 10.526 3.947 52 HG23 THR 6 HG23 THR 6 7.350 12.054 3.150 53 H THR 7 HN THR 7 3.808 9.717 4.927 54 HA THR 7 HA THR 7 1.757 7.958 4.398 55 HB THR 7 HB THR 7 1.276 10.774 5.384 56 HG1 THR 7 HG1 THR 7 2.381 8.579 6.897 57 HG21 THR 7 HG21 THR 7 0.160 8.061 6.163 58 HG22 THR 7 HG22 THR 7 -0.647 9.241 5.146 59 HG23 THR 7 HG23 THR 7 -0.338 9.612 6.843 60 H ASP 8 HN ASP 8 2.299 11.252 3.213 61 HA ASP 8 HA ASP 8 0.003 11.521 1.631 62 HB2 ASP 8 HB2 ASP 8 2.671 12.845 1.565 63 HB3 ASP 8 HB1 ASP 8 1.547 13.109 0.240 64 H ASP 9 HN ASP 9 3.082 10.104 0.818 65 HA ASP 9 HA ASP 9 2.543 9.778 -1.972 66 HB2 ASP 9 HB2 ASP 9 4.389 8.200 -0.172 67 HB3 ASP 9 HB1 ASP 9 4.288 7.996 -1.913 68 H LEU 10 HN LEU 10 2.218 7.744 0.822 69 HA LEU 10 HA LEU 10 1.201 5.454 -0.452 70 HB2 LEU 10 HB2 LEU 10 2.189 5.577 1.801 71 HB3 LEU 10 HB1 LEU 10 0.801 6.478 2.352 72 HG LEU 10 HG LEU 10 -0.572 4.429 1.680 73 HD11 LEU 10 HD11 LEU 10 1.084 3.354 0.284 74 HD12 LEU 10 HD12 LEU 10 0.635 2.303 1.629 75 HD13 LEU 10 HD13 LEU 10 2.166 3.177 1.666 76 HD21 LEU 10 HD21 LEU 10 -0.140 5.030 3.994 77 HD22 LEU 10 HD22 LEU 10 1.422 4.214 3.930 78 HD23 LEU 10 HD23 LEU 10 -0.069 3.280 3.786 79 H ARG 11 HN ARG 11 -0.236 8.342 0.944 80 HA ARG 11 HA ARG 11 -2.912 7.740 1.015 81 HB2 ARG 11 HB2 ARG 11 -1.866 9.881 1.826 82 HB3 ARG 11 HB1 ARG 11 -1.847 10.433 0.155 83 HG2 ARG 11 HG2 ARG 11 -4.374 9.947 0.166 84 HG3 ARG 11 HG1 ARG 11 -4.164 9.846 1.925 85 HD2 ARG 11 HD2 ARG 11 -3.405 12.251 0.258 86 HD3 ARG 11 HD1 ARG 11 -4.940 12.081 1.096 87 HE ARG 11 HE ARG 11 -2.956 11.669 2.960 88 HH11 ARG 11 HH11 ARG 11 -4.023 14.359 0.849 89 HH12 ARG 11 HH12 ARG 11 -3.521 15.578 1.934 90 HH21 ARG 11 HH21 ARG 11 -2.343 13.396 4.455 91 HH22 ARG 11 HH22 ARG 11 -2.612 15.030 4.066 92 H ARG 12 HN ARG 12 -1.206 9.293 -1.708 93 HA ARG 12 HA ARG 12 -3.492 9.204 -3.327 94 HB2 ARG 12 HB2 ARG 12 -2.148 9.733 -5.270 95 HB3 ARG 12 HB1 ARG 12 -1.628 10.713 -3.918 96 HG2 ARG 12 HG2 ARG 12 0.375 9.460 -3.682 97 HG3 ARG 12 HG1 ARG 12 -0.202 8.212 -4.791 98 HD2 ARG 12 HD2 ARG 12 0.389 11.090 -5.508 99 HD3 ARG 12 HD1 ARG 12 1.403 9.702 -5.897 100 HE ARG 12 HE ARG 12 -1.108 9.140 -6.923 101 HH11 ARG 12 HH11 ARG 12 1.472 11.537 -7.591 102 HH12 ARG 12 HH12 ARG 12 0.908 11.858 -9.158 103 HH21 ARG 12 HH21 ARG 12 -1.824 9.591 -9.062 104 HH22 ARG 12 HH22 ARG 12 -0.998 10.702 -10.048 105 H ALA 13 HN ALA 13 -0.968 6.835 -2.845 106 HA ALA 13 HA ALA 13 -1.633 5.204 -5.046 107 HB1 ALA 13 HB1 ALA 13 -0.368 3.445 -3.902 108 HB2 ALA 13 HB2 ALA 13 -0.384 4.393 -2.416 109 HB3 ALA 13 HB3 ALA 13 0.490 4.986 -3.828 110 H LEU 14 HN LEU 14 -2.578 5.036 -1.637 111 HA LEU 14 HA LEU 14 -4.337 2.837 -1.879 112 HB2 LEU 14 HB2 LEU 14 -3.862 4.948 0.156 113 HB3 LEU 14 HB1 LEU 14 -5.367 4.063 0.240 114 HG LEU 14 HG LEU 14 -3.684 3.150 1.758 115 HD11 LEU 14 HD11 LEU 14 -4.351 1.300 -0.515 116 HD12 LEU 14 HD12 LEU 14 -5.366 1.662 0.878 117 HD13 LEU 14 HD13 LEU 14 -3.838 0.807 1.099 118 HD21 LEU 14 HD21 LEU 14 -1.729 1.971 0.900 119 HD22 LEU 14 HD22 LEU 14 -1.672 3.690 0.501 120 HD23 LEU 14 HD23 LEU 14 -2.122 2.511 -0.732 121 H VAL 15 HN VAL 15 -4.977 6.314 -1.946 122 HA VAL 15 HA VAL 15 -7.737 5.988 -2.290 123 HB VAL 15 HB VAL 15 -5.928 8.351 -2.838 124 HG11 VAL 15 HG11 VAL 15 -7.949 9.726 -3.079 125 HG12 VAL 15 HG12 VAL 15 -8.955 8.280 -2.996 126 HG13 VAL 15 HG13 VAL 15 -7.867 8.517 -4.361 127 HG21 VAL 15 HG21 VAL 15 -6.190 7.756 -0.519 128 HG22 VAL 15 HG22 VAL 15 -7.916 7.637 -0.678 129 HG23 VAL 15 HG23 VAL 15 -7.130 9.221 -0.812 130 H GLU 16 HN GLU 16 -5.165 6.288 -4.717 131 HA GLU 16 HA GLU 16 -6.929 6.443 -6.892 132 HB2 GLU 16 HB2 GLU 16 -4.009 5.682 -6.837 133 HB3 GLU 16 HB1 GLU 16 -4.935 5.942 -8.311 134 HG2 GLU 16 HG2 GLU 16 -5.394 8.243 -7.613 135 HG3 GLU 16 HG1 GLU 16 -4.463 7.981 -6.147 136 H SER 17 HN SER 17 -5.236 3.547 -5.524 137 HA SER 17 HA SER 17 -6.442 1.910 -7.487 138 HB2 SER 17 HB2 SER 17 -5.584 -0.017 -5.938 139 HB3 SER 17 HB1 SER 17 -4.416 1.100 -6.608 140 HG SER 17 HG SER 17 -5.480 1.172 -3.977 141 H ALA 18 HN ALA 18 -7.748 3.424 -4.852 142 HA ALA 18 HA ALA 18 -9.888 1.505 -4.417 143 HB1 ALA 18 HB1 ALA 18 -8.957 2.867 -2.547 144 HB2 ALA 18 HB2 ALA 18 -10.699 3.050 -2.755 145 HB3 ALA 18 HB3 ALA 18 -9.603 4.306 -3.332 146 H GLY 19 HN GLY 19 -9.168 4.115 -6.500 147 HA2 GLY 19 HA2 GLY 19 -11.145 4.034 -8.256 148 HA3 GLY 19 HA1 GLY 19 -11.955 4.823 -6.902 149 H GLU 20 HN GLU 20 -9.567 6.183 -6.032 150 HA GLU 20 HA GLU 20 -8.609 8.195 -6.167 151 HB2 GLU 20 HB2 GLU 20 -7.648 7.186 -8.347 152 HB3 GLU 20 HB1 GLU 20 -8.895 8.076 -9.193 153 HG2 GLU 20 HG2 GLU 20 -6.681 9.274 -7.527 154 HG3 GLU 20 HG1 GLU 20 -6.717 9.184 -9.280 155 H THR 21 HN THR 21 -10.295 9.162 -5.140 156 HA THR 21 HA THR 21 -11.906 10.646 -4.785 157 HB THR 21 HB THR 21 -11.522 11.506 -7.696 158 HG1 THR 21 HG1 THR 21 -9.560 11.757 -6.674 159 HG21 THR 21 HG21 THR 21 -13.578 12.393 -6.644 160 HG22 THR 21 HG22 THR 21 -12.396 13.672 -6.921 161 HG23 THR 21 HG23 THR 21 -12.616 13.011 -5.302 162 H ASP 22 HN ASP 22 -13.040 8.752 -4.564 163 HA ASP 22 HA ASP 22 -14.747 7.769 -6.680 164 HB2 ASP 22 HB2 ASP 22 -13.754 6.098 -5.373 165 HB3 ASP 22 HB1 ASP 22 -14.149 6.910 -3.872 166 H GLY 23 HN GLY 23 -15.178 9.185 -3.444 167 HA2 GLY 23 HA2 GLY 23 -17.101 10.850 -3.506 168 HA3 GLY 23 HA1 GLY 23 -18.037 9.442 -4.023 169 H THR 24 HN THR 24 -16.675 7.529 -2.515 170 HA THR 24 HA THR 24 -16.697 8.448 0.192 171 HB THR 24 HB THR 24 -19.035 7.706 -0.124 172 HG1 THR 24 HG1 THR 24 -19.026 6.004 1.543 173 HG21 THR 24 HG21 THR 24 -19.587 5.332 -0.549 174 HG22 THR 24 HG22 THR 24 -17.877 4.988 -0.809 175 HG23 THR 24 HG23 THR 24 -18.737 6.056 -1.915 176 H ASP 25 HN ASP 25 -14.580 8.019 -1.213 177 HA ASP 25 HA ASP 25 -13.613 5.326 -0.575 178 HB2 ASP 25 HB2 ASP 25 -11.691 5.729 -2.024 179 HB3 ASP 25 HB1 ASP 25 -13.111 6.266 -2.887 180 H LEU 26 HN LEU 26 -10.949 5.994 -0.211 181 HA LEU 26 HA LEU 26 -10.782 6.413 2.530 182 HB2 LEU 26 HB2 LEU 26 -8.662 6.871 0.457 183 HB3 LEU 26 HB1 LEU 26 -8.424 6.491 2.154 184 HG LEU 26 HG LEU 26 -9.649 4.648 0.112 185 HD11 LEU 26 HD11 LEU 26 -6.990 4.590 1.496 186 HD12 LEU 26 HD12 LEU 26 -7.265 4.965 -0.205 187 HD13 LEU 26 HD13 LEU 26 -7.628 3.354 0.415 188 HD21 LEU 26 HD21 LEU 26 -10.564 4.387 2.293 189 HD22 LEU 26 HD22 LEU 26 -8.927 4.312 2.962 190 HD23 LEU 26 HD23 LEU 26 -9.506 3.019 1.890 191 H SER 27 HN SER 27 -9.948 8.535 -0.186 192 HA SER 27 HA SER 27 -9.443 10.708 -0.395 193 HB2 SER 27 HB2 SER 27 -11.485 10.937 1.725 194 HB3 SER 27 HB1 SER 27 -11.035 12.246 0.626 195 HG SER 27 HG SER 27 -11.602 9.988 -0.735 196 H GLY 28 HN GLY 28 -8.100 9.187 1.950 197 HA2 GLY 28 HA2 GLY 28 -6.043 10.471 2.777 198 HA3 GLY 28 HA1 GLY 28 -7.262 11.542 3.474 199 H ASP 29 HN ASP 29 -9.011 9.151 4.002 200 HA ASP 29 HA ASP 29 -7.660 8.421 6.491 201 HB2 ASP 29 HB2 ASP 29 -10.596 8.388 5.783 202 HB3 ASP 29 HB1 ASP 29 -9.938 7.685 7.253 203 H PHE 30 HN PHE 30 -6.640 6.690 6.388 204 HA PHE 30 HA PHE 30 -7.897 4.169 5.786 205 HB2 PHE 30 HB2 PHE 30 -6.160 3.435 4.150 206 HB3 PHE 30 HB1 PHE 30 -7.275 4.550 3.424 207 HD1 PHE 30 HD2 PHE 30 -6.509 6.964 3.131 208 HD2 PHE 30 HD1 PHE 30 -3.867 3.859 4.304 209 HE1 PHE 30 HE2 PHE 30 -4.587 8.322 2.386 210 HE2 PHE 30 HE1 PHE 30 -1.951 5.224 3.566 211 HZ PHE 30 HZ PHE 30 -2.304 7.547 2.900 212 H LEU 31 HN LEU 31 -5.130 6.052 6.711 213 HA LEU 31 HA LEU 31 -3.077 4.305 6.779 214 HB2 LEU 31 HB2 LEU 31 -2.853 6.687 7.029 215 HB3 LEU 31 HB1 LEU 31 -3.550 6.613 8.640 216 HG LEU 31 HG LEU 31 -1.601 5.200 9.319 217 HD11 LEU 31 HD11 LEU 31 0.406 5.251 7.908 218 HD12 LEU 31 HD12 LEU 31 -0.521 6.034 6.632 219 HD13 LEU 31 HD13 LEU 31 -0.928 4.393 7.135 220 HD21 LEU 31 HD21 LEU 31 -1.696 7.573 9.850 221 HD22 LEU 31 HD22 LEU 31 -0.988 7.966 8.285 222 HD23 LEU 31 HD23 LEU 31 -0.040 7.086 9.484 223 H ASP 32 HN ASP 32 -5.335 4.770 9.486 224 HA ASP 32 HA ASP 32 -3.771 2.732 10.916 225 HB2 ASP 32 HB2 ASP 32 -4.236 4.988 11.971 226 HB3 ASP 32 HB1 ASP 32 -5.917 4.479 12.103 227 H LEU 33 HN LEU 33 -6.484 2.947 9.068 228 HA LEU 33 HA LEU 33 -8.109 1.063 10.587 229 HB2 LEU 33 HB2 LEU 33 -9.039 3.115 9.464 230 HB3 LEU 33 HB1 LEU 33 -8.604 2.407 7.928 231 HG LEU 33 HG LEU 33 -10.204 0.575 8.338 232 HD11 LEU 33 HD11 LEU 33 -10.917 2.185 10.785 233 HD12 LEU 33 HD12 LEU 33 -10.124 0.613 10.782 234 HD13 LEU 33 HD13 LEU 33 -11.784 0.766 10.191 235 HD21 LEU 33 HD21 LEU 33 -12.212 1.925 8.006 236 HD22 LEU 33 HD22 LEU 33 -10.841 2.581 7.101 237 HD23 LEU 33 HD23 LEU 33 -11.353 3.352 8.598 238 H ARG 34 HN ARG 34 -8.467 -1.097 9.808 239 HA ARG 34 HA ARG 34 -6.300 -2.107 8.205 240 HB2 ARG 34 HB2 ARG 34 -7.620 -3.248 10.213 241 HB3 ARG 34 HB1 ARG 34 -8.735 -3.745 8.958 242 HG2 ARG 34 HG2 ARG 34 -5.791 -4.388 8.871 243 HG3 ARG 34 HG1 ARG 34 -6.974 -5.422 9.663 244 HD2 ARG 34 HD2 ARG 34 -7.905 -6.091 7.679 245 HD3 ARG 34 HD1 ARG 34 -7.450 -4.604 6.843 246 HE ARG 34 HE ARG 34 -5.095 -5.544 7.131 247 HH11 ARG 34 HH11 ARG 34 -7.856 -7.750 6.774 248 HH12 ARG 34 HH12 ARG 34 -7.085 -8.761 5.656 249 HH21 ARG 34 HH21 ARG 34 -4.012 -7.002 5.574 250 HH22 ARG 34 HH22 ARG 34 -4.890 -8.307 4.919 251 H PHE 35 HN PHE 35 -6.409 -2.940 6.122 252 HA PHE 35 HA PHE 35 -7.693 -1.540 4.191 253 HB2 PHE 35 HB2 PHE 35 -6.819 -4.414 3.959 254 HB3 PHE 35 HB1 PHE 35 -7.173 -3.345 2.607 255 HD1 PHE 35 HD2 PHE 35 -5.779 -1.260 2.350 256 HD2 PHE 35 HD1 PHE 35 -4.735 -4.455 4.937 257 HE1 PHE 35 HE2 PHE 35 -3.458 -0.468 2.379 258 HE2 PHE 35 HE1 PHE 35 -2.415 -3.669 4.974 259 HZ PHE 35 HZ PHE 35 -1.775 -1.676 3.694 260 H GLU 36 HN GLU 36 -8.881 -4.645 5.403 261 HA GLU 36 HA GLU 36 -11.119 -5.063 3.855 262 HB2 GLU 36 HB2 GLU 36 -10.847 -5.427 6.826 263 HB3 GLU 36 HB1 GLU 36 -12.125 -6.121 5.845 264 HG2 GLU 36 HG2 GLU 36 -10.594 -7.503 4.695 265 HG3 GLU 36 HG1 GLU 36 -9.212 -6.673 5.416 266 H ASP 37 HN ASP 37 -10.728 -2.807 6.527 267 HA ASP 37 HA ASP 37 -13.532 -2.122 6.564 268 HB2 ASP 37 HB2 ASP 37 -11.259 -1.001 8.207 269 HB3 ASP 37 HB1 ASP 37 -12.971 -0.738 8.473 270 H ILE 38 HN ILE 38 -10.764 -1.135 4.868 271 HA ILE 38 HA ILE 38 -11.778 1.609 4.648 272 HB ILE 38 HB ILE 38 -9.722 2.280 3.538 273 HG12 ILE 38 HG12 ILE 38 -8.665 -0.520 3.894 274 HG13 ILE 38 HG11 ILE 38 -9.237 0.043 2.341 275 HG21 ILE 38 HG21 ILE 38 -8.102 1.942 5.326 276 HG22 ILE 38 HG22 ILE 38 -9.144 0.688 6.001 277 HG23 ILE 38 HG23 ILE 38 -9.709 2.355 5.922 278 HD11 ILE 38 HD11 ILE 38 -6.850 0.179 2.427 279 HD12 ILE 38 HD12 ILE 38 -6.903 1.095 3.932 280 HD13 ILE 38 HD13 ILE 38 -7.491 1.821 2.437 281 H GLY 39 HN GLY 39 -12.900 -0.823 3.435 282 HA2 GLY 39 HA2 GLY 39 -14.083 -1.221 1.528 283 HA3 GLY 39 HA1 GLY 39 -13.532 0.333 0.912 284 H TYR 40 HN TYR 40 -11.239 -2.058 2.007 285 HA TYR 40 HA TYR 40 -10.495 -2.393 -0.748 286 HB2 TYR 40 HB2 TYR 40 -8.888 -2.308 1.723 287 HB3 TYR 40 HB1 TYR 40 -8.377 -3.525 0.556 288 HD1 TYR 40 HD2 TYR 40 -9.840 -0.181 -0.065 289 HD2 TYR 40 HD1 TYR 40 -6.464 -2.732 -0.357 290 HE1 TYR 40 HE2 TYR 40 -8.741 1.455 -1.491 291 HE2 TYR 40 HE1 TYR 40 -5.352 -1.101 -1.806 292 HH TYR 40 HH TYR 40 -6.562 2.059 -2.286 293 H ASP 41 HN ASP 41 -10.753 -3.994 -1.774 294 HA ASP 41 HA ASP 41 -12.087 -6.321 -0.763 295 HB2 ASP 41 HB2 ASP 41 -12.812 -5.482 -2.848 296 HB3 ASP 41 HB1 ASP 41 -11.173 -5.300 -3.440 297 H SER 42 HN SER 42 -9.361 -6.151 -2.942 298 HA SER 42 HA SER 42 -7.283 -7.244 -1.517 299 HB2 SER 42 HB2 SER 42 -7.291 -9.604 -2.441 300 HB3 SER 42 HB1 SER 42 -8.576 -9.319 -1.258 301 H LEU 43 HN LEU 43 -9.095 -7.401 -4.521 302 HA LEU 43 HA LEU 43 -6.980 -7.311 -6.362 303 HB2 LEU 43 HB2 LEU 43 -9.453 -7.615 -6.844 304 HB3 LEU 43 HB1 LEU 43 -9.660 -5.902 -6.596 305 HG LEU 43 HG LEU 43 -7.978 -7.100 -8.823 306 HD11 LEU 43 HD11 LEU 43 -10.301 -7.753 -9.047 307 HD12 LEU 43 HD12 LEU 43 -9.867 -6.563 -10.274 308 HD13 LEU 43 HD13 LEU 43 -10.807 -6.074 -8.861 309 HD21 LEU 43 HD21 LEU 43 -7.388 -4.744 -8.281 310 HD22 LEU 43 HD22 LEU 43 -9.074 -4.291 -8.456 311 HD23 LEU 43 HD23 LEU 43 -8.170 -4.868 -9.852 312 H ALA 44 HN ALA 44 -8.656 -4.800 -4.618 313 HA ALA 44 HA ALA 44 -7.306 -2.601 -5.687 314 HB1 ALA 44 HB1 ALA 44 -8.109 -1.361 -3.761 315 HB2 ALA 44 HB2 ALA 44 -8.496 -2.868 -2.934 316 HB3 ALA 44 HB3 ALA 44 -9.373 -2.415 -4.395 317 H LEU 45 HN LEU 45 -6.422 -4.769 -3.009 318 HA LEU 45 HA LEU 45 -4.321 -3.205 -1.974 319 HB2 LEU 45 HB2 LEU 45 -5.256 -5.956 -1.639 320 HB3 LEU 45 HB1 LEU 45 -3.529 -5.771 -1.435 321 HG LEU 45 HG LEU 45 -5.652 -4.325 0.157 322 HD11 LEU 45 HD11 LEU 45 -3.626 -6.409 0.901 323 HD12 LEU 45 HD12 LEU 45 -5.349 -6.753 0.659 324 HD13 LEU 45 HD13 LEU 45 -4.814 -5.687 1.980 325 HD21 LEU 45 HD21 LEU 45 -3.704 -2.933 -0.118 326 HD22 LEU 45 HD22 LEU 45 -2.670 -4.317 0.241 327 HD23 LEU 45 HD23 LEU 45 -3.720 -3.647 1.502 328 H MET 46 HN MET 46 -4.298 -5.930 -4.094 329 HA MET 46 HA MET 46 -1.508 -5.884 -4.639 330 HB2 MET 46 HB2 MET 46 -1.987 -7.160 -6.732 331 HB3 MET 46 HB1 MET 46 -2.683 -7.865 -5.280 332 HG2 MET 46 HG2 MET 46 -4.741 -7.598 -5.972 333 HG3 MET 46 HG1 MET 46 -4.412 -5.998 -6.635 334 HE1 MET 46 HE1 MET 46 -3.445 -5.625 -9.110 335 HE2 MET 46 HE2 MET 46 -2.922 -6.934 -10.171 336 HE3 MET 46 HE3 MET 46 -2.043 -6.604 -8.679 337 H GLU 47 HN GLU 47 -4.150 -4.125 -6.089 338 HA GLU 47 HA GLU 47 -2.817 -3.108 -8.334 339 HB2 GLU 47 HB2 GLU 47 -5.261 -3.037 -7.979 340 HB3 GLU 47 HB1 GLU 47 -5.038 -1.904 -6.663 341 HG2 GLU 47 HG2 GLU 47 -5.807 -0.764 -8.619 342 HG3 GLU 47 HG1 GLU 47 -4.164 -0.269 -8.237 343 H THR 48 HN THR 48 -3.134 -1.892 -4.991 344 HA THR 48 HA THR 48 -1.643 0.466 -5.184 345 HB THR 48 HB THR 48 -1.715 -1.440 -2.819 346 HG1 THR 48 HG1 THR 48 -3.712 0.328 -3.801 347 HG21 THR 48 HG21 THR 48 -1.632 0.632 -1.513 348 HG22 THR 48 HG22 THR 48 -1.598 1.573 -3.004 349 HG23 THR 48 HG23 THR 48 -0.247 0.512 -2.599 350 H ALA 49 HN ALA 49 -0.724 -2.766 -4.033 351 HA ALA 49 HA ALA 49 1.945 -2.285 -3.480 352 HB1 ALA 49 HB1 ALA 49 0.705 -4.910 -4.267 353 HB2 ALA 49 HB2 ALA 49 0.702 -4.219 -2.641 354 HB3 ALA 49 HB3 ALA 49 2.225 -4.685 -3.405 355 H ALA 50 HN ALA 50 0.699 -4.035 -6.357 356 HA ALA 50 HA ALA 50 3.119 -4.495 -7.614 357 HB1 ALA 50 HB1 ALA 50 1.853 -4.828 -9.661 358 HB2 ALA 50 HB2 ALA 50 0.468 -3.985 -8.961 359 HB3 ALA 50 HB3 ALA 50 0.998 -5.525 -8.286 360 H ARG 51 HN ARG 51 1.125 -1.673 -7.690 361 HA ARG 51 HA ARG 51 2.324 -0.328 -9.857 362 HB2 ARG 51 HB2 ARG 51 0.140 0.327 -8.905 363 HB3 ARG 51 HB1 ARG 51 0.941 0.763 -7.413 364 HG2 ARG 51 HG2 ARG 51 2.170 2.512 -8.532 365 HG3 ARG 51 HG1 ARG 51 1.408 2.078 -10.062 366 HD2 ARG 51 HD2 ARG 51 -0.749 2.693 -9.224 367 HD3 ARG 51 HD1 ARG 51 -0.090 2.955 -7.605 368 HE ARG 51 HE ARG 51 1.250 4.503 -9.535 369 HH11 ARG 51 HH11 ARG 51 -1.951 4.419 -7.947 370 HH12 ARG 51 HH12 ARG 51 -1.983 6.126 -7.743 371 HH21 ARG 51 HH21 ARG 51 1.068 6.848 -9.252 372 HH22 ARG 51 HH22 ARG 51 -0.352 7.485 -8.509 373 H LEU 52 HN LEU 52 2.764 -0.020 -6.368 374 HA LEU 52 HA LEU 52 4.900 1.827 -6.555 375 HB2 LEU 52 HB2 LEU 52 4.016 0.113 -4.242 376 HB3 LEU 52 HB1 LEU 52 5.169 1.430 -4.135 377 HG LEU 52 HG LEU 52 2.259 1.705 -4.903 378 HD11 LEU 52 HD11 LEU 52 2.538 1.179 -2.551 379 HD12 LEU 52 HD12 LEU 52 2.021 2.851 -2.767 380 HD13 LEU 52 HD13 LEU 52 3.706 2.491 -2.387 381 HD21 LEU 52 HD21 LEU 52 2.667 4.119 -4.762 382 HD22 LEU 52 HD22 LEU 52 3.651 3.367 -6.019 383 HD23 LEU 52 HD23 LEU 52 4.381 3.810 -4.476 384 H GLU 53 HN GLU 53 4.744 -1.661 -6.090 385 HA GLU 53 HA GLU 53 7.372 -2.214 -5.449 386 HB2 GLU 53 HB2 GLU 53 5.458 -3.838 -7.102 387 HB3 GLU 53 HB1 GLU 53 7.001 -4.429 -6.531 388 HG2 GLU 53 HG2 GLU 53 6.227 -4.160 -4.224 389 HG3 GLU 53 HG1 GLU 53 4.684 -3.569 -4.839 390 H SER 54 HN SER 54 5.885 -2.487 -8.655 391 HA SER 54 HA SER 54 8.328 -2.953 -9.926 392 HB2 SER 54 HB2 SER 54 5.660 -2.182 -11.086 393 HB3 SER 54 HB1 SER 54 7.014 -2.906 -11.968 394 HG SER 54 HG SER 54 6.755 -4.519 -10.020 395 H ARG 55 HN ARG 55 6.578 0.026 -9.266 396 HA ARG 55 HA ARG 55 7.956 1.580 -11.174 397 HB2 ARG 55 HB2 ARG 55 5.904 2.452 -10.175 398 HB3 ARG 55 HB1 ARG 55 6.665 2.506 -8.589 399 HG2 ARG 55 HG2 ARG 55 8.247 4.179 -9.394 400 HG3 ARG 55 HG1 ARG 55 7.529 4.101 -10.995 401 HD2 ARG 55 HD2 ARG 55 5.450 5.010 -10.137 402 HD3 ARG 55 HD1 ARG 55 6.096 4.985 -8.490 403 HE ARG 55 HE ARG 55 7.826 6.416 -10.167 404 HH11 ARG 55 HH11 ARG 55 4.535 6.901 -8.945 405 HH12 ARG 55 HH12 ARG 55 4.739 8.537 -8.598 406 HH21 ARG 55 HH21 ARG 55 8.099 8.643 -9.811 407 HH22 ARG 55 HH22 ARG 55 6.841 9.619 -9.183 408 H TYR 56 HN TYR 56 8.715 0.854 -7.795 409 HA TYR 56 HA TYR 56 11.106 2.499 -8.110 410 HB2 TYR 56 HB2 TYR 56 9.943 1.292 -5.603 411 HB3 TYR 56 HB1 TYR 56 11.357 2.346 -5.671 412 HD1 TYR 56 HD2 TYR 56 10.913 4.632 -6.988 413 HD2 TYR 56 HD1 TYR 56 7.915 2.276 -5.112 414 HE1 TYR 56 HE2 TYR 56 9.469 6.607 -6.830 415 HE2 TYR 56 HE1 TYR 56 6.456 4.243 -4.947 416 HH TYR 56 HH TYR 56 7.063 7.070 -6.654 417 H GLY 57 HN GLY 57 10.230 -0.757 -8.176 418 HA2 GLY 57 HA2 GLY 57 11.670 -2.395 -9.021 419 HA3 GLY 57 HA1 GLY 57 13.044 -1.419 -8.529 420 H VAL 58 HN VAL 58 10.235 -2.764 -6.806 421 HA VAL 58 HA VAL 58 12.079 -4.296 -5.168 422 HB VAL 58 HB VAL 58 10.775 -3.861 -3.104 423 HG11 VAL 58 HG11 VAL 58 12.759 -2.554 -3.501 424 HG12 VAL 58 HG12 VAL 58 11.540 -1.580 -2.675 425 HG13 VAL 58 HG13 VAL 58 11.819 -1.369 -4.406 426 HG21 VAL 58 HG21 VAL 58 8.633 -3.284 -4.090 427 HG22 VAL 58 HG22 VAL 58 9.324 -1.791 -4.747 428 HG23 VAL 58 HG23 VAL 58 9.178 -2.005 -3.001 429 H SER 59 HN SER 59 10.546 -5.833 -3.642 430 HA SER 59 HA SER 59 8.467 -6.962 -5.380 431 HB2 SER 59 HB2 SER 59 10.699 -8.590 -4.159 432 HB3 SER 59 HB1 SER 59 9.429 -9.157 -5.242 433 HG SER 59 HG SER 59 10.594 -7.157 -6.455 434 H ILE 60 HN ILE 60 6.713 -7.251 -4.130 435 HA ILE 60 HA ILE 60 7.069 -7.947 -1.301 436 HB ILE 60 HB ILE 60 4.656 -6.810 -2.757 437 HG12 ILE 60 HG12 ILE 60 6.437 -5.553 -0.653 438 HG13 ILE 60 HG11 ILE 60 6.459 -5.172 -2.370 439 HG21 ILE 60 HG21 ILE 60 3.943 -8.331 -0.999 440 HG22 ILE 60 HG22 ILE 60 3.584 -6.664 -0.552 441 HG23 ILE 60 HG23 ILE 60 4.965 -7.490 0.168 442 HD11 ILE 60 HD11 ILE 60 4.151 -4.721 -0.489 443 HD12 ILE 60 HD12 ILE 60 4.174 -4.328 -2.209 444 HD13 ILE 60 HD13 ILE 60 5.256 -3.488 -1.096 445 HA PRO 61 HA PRO 61 5.839 -12.112 -2.614 446 HB2 PRO 61 HB2 PRO 61 5.313 -12.209 0.327 447 HB3 PRO 61 HB1 PRO 61 6.175 -13.376 -0.697 448 HG2 PRO 61 HG2 PRO 61 7.554 -11.773 0.875 449 HG3 PRO 61 HG1 PRO 61 8.100 -12.043 -0.792 450 HD2 PRO 61 HD2 PRO 61 6.657 -9.691 0.370 451 HD3 PRO 61 HD1 PRO 61 7.994 -9.727 -0.799 452 H ASP 62 HN ASP 62 3.877 -13.072 -2.940 453 HA ASP 62 HA ASP 62 1.551 -11.525 -3.009 454 HB2 ASP 62 HB2 ASP 62 1.824 -14.532 -3.093 455 HB3 ASP 62 HB1 ASP 62 0.294 -13.698 -3.311 456 H ASP 63 HN ASP 63 2.520 -13.938 -0.645 457 HA ASP 63 HA ASP 63 0.074 -13.696 0.826 458 HB2 ASP 63 HB2 ASP 63 1.045 -15.119 2.531 459 HB3 ASP 63 HB1 ASP 63 1.471 -15.766 0.954 460 H VAL 64 HN VAL 64 3.002 -11.951 0.777 461 HA VAL 64 HA VAL 64 2.650 -10.918 3.411 462 HB VAL 64 HB VAL 64 4.642 -10.077 1.271 463 HG11 VAL 64 HG11 VAL 64 5.787 -8.825 3.042 464 HG12 VAL 64 HG12 VAL 64 4.488 -9.219 4.169 465 HG13 VAL 64 HG13 VAL 64 4.166 -8.186 2.776 466 HG21 VAL 64 HG21 VAL 64 6.252 -11.198 2.720 467 HG22 VAL 64 HG22 VAL 64 4.985 -12.302 2.186 468 HG23 VAL 64 HG23 VAL 64 4.951 -11.647 3.823 469 H ALA 65 HN ALA 65 1.926 -9.822 0.141 470 HA ALA 65 HA ALA 65 0.982 -7.260 0.911 471 HB1 ALA 65 HB1 ALA 65 -0.195 -7.179 -1.251 472 HB2 ALA 65 HB2 ALA 65 0.052 -8.895 -1.472 473 HB3 ALA 65 HB3 ALA 65 1.437 -7.800 -1.464 474 H GLY 66 HN GLY 66 -0.293 -10.369 1.365 475 HA2 GLY 66 HA2 GLY 66 -2.937 -9.319 2.036 476 HA3 GLY 66 HA1 GLY 66 -2.476 -11.016 1.994 477 H ARG 67 HN ARG 67 0.024 -9.991 3.472 478 HA ARG 67 HA ARG 67 -1.098 -10.429 6.113 479 HB2 ARG 67 HB2 ARG 67 1.624 -10.818 4.941 480 HB3 ARG 67 HB1 ARG 67 1.469 -10.578 6.678 481 HG2 ARG 67 HG2 ARG 67 0.030 -12.505 6.850 482 HG3 ARG 67 HG1 ARG 67 0.038 -12.697 5.098 483 HD2 ARG 67 HD2 ARG 67 2.281 -13.372 5.069 484 HD3 ARG 67 HD1 ARG 67 2.578 -12.731 6.688 485 HE ARG 67 HE ARG 67 0.830 -14.519 7.296 486 HH11 ARG 67 HH11 ARG 67 3.239 -15.072 4.717 487 HH12 ARG 67 HH12 ARG 67 3.610 -16.644 5.234 488 HH21 ARG 67 HH21 ARG 67 1.308 -16.664 7.938 489 HH22 ARG 67 HH22 ARG 67 2.442 -17.623 7.086 490 H VAL 68 HN VAL 68 -0.399 -7.866 4.294 491 HA VAL 68 HA VAL 68 0.625 -6.216 6.407 492 HB VAL 68 HB VAL 68 0.091 -4.278 4.857 493 HG11 VAL 68 HG11 VAL 68 1.804 -4.791 3.206 494 HG12 VAL 68 HG12 VAL 68 1.717 -6.500 3.642 495 HG13 VAL 68 HG13 VAL 68 2.279 -5.313 4.821 496 HG21 VAL 68 HG21 VAL 68 -1.795 -5.262 3.659 497 HG22 VAL 68 HG22 VAL 68 -0.727 -6.471 2.952 498 HG23 VAL 68 HG23 VAL 68 -0.530 -4.773 2.530 499 H ASP 69 HN ASP 69 -0.516 -5.419 7.960 500 HA ASP 69 HA ASP 69 -3.337 -6.063 8.023 501 HB2 ASP 69 HB2 ASP 69 -1.810 -6.566 9.930 502 HB3 ASP 69 HB1 ASP 69 -1.601 -4.838 10.166 503 H THR 70 HN THR 70 -1.489 -3.156 8.962 504 HA THR 70 HA THR 70 -3.778 -1.537 8.204 505 HB THR 70 HB THR 70 -2.466 0.246 9.372 506 HG1 THR 70 HG1 THR 70 -0.612 -0.604 10.636 507 HG21 THR 70 HG21 THR 70 -2.732 -0.661 11.655 508 HG22 THR 70 HG22 THR 70 -2.869 -2.289 10.984 509 HG23 THR 70 HG23 THR 70 -4.109 -1.083 10.636 510 HA PRO 71 HA PRO 71 -1.604 -0.007 4.541 511 HB2 PRO 71 HB2 PRO 71 -2.300 2.715 5.558 512 HB3 PRO 71 HB1 PRO 71 -2.578 2.014 3.957 513 HG2 PRO 71 HG2 PRO 71 -4.600 2.261 5.624 514 HG3 PRO 71 HG1 PRO 71 -4.410 0.767 4.679 515 HD2 PRO 71 HD2 PRO 71 -3.736 1.287 7.551 516 HD3 PRO 71 HD1 PRO 71 -4.534 -0.125 6.824 517 H ARG 72 HN ARG 72 -1.174 1.561 7.647 518 HA ARG 72 HA ARG 72 1.315 2.758 7.329 519 HB2 ARG 72 HB2 ARG 72 -0.305 2.764 9.357 520 HB3 ARG 72 HB1 ARG 72 0.519 1.288 9.838 521 HG2 ARG 72 HG2 ARG 72 2.650 2.518 9.876 522 HG3 ARG 72 HG1 ARG 72 1.780 3.995 9.464 523 HD2 ARG 72 HD2 ARG 72 1.532 2.341 11.970 524 HD3 ARG 72 HD1 ARG 72 2.152 3.982 11.822 525 HE ARG 72 HE ARG 72 -0.667 3.180 11.481 526 HH11 ARG 72 HH11 ARG 72 1.663 5.804 12.161 527 HH12 ARG 72 HH12 ARG 72 0.534 6.745 13.006 528 HH21 ARG 72 HH21 ARG 72 -2.176 4.480 12.748 529 HH22 ARG 72 HH22 ARG 72 -1.702 6.003 13.322 530 H GLU 73 HN GLU 73 0.486 -0.582 8.191 531 HA GLU 73 HA GLU 73 3.066 -1.667 8.506 532 HB2 GLU 73 HB2 GLU 73 0.934 -2.705 9.263 533 HB3 GLU 73 HB1 GLU 73 0.491 -2.981 7.593 534 HG2 GLU 73 HG2 GLU 73 1.224 -5.031 8.534 535 HG3 GLU 73 HG1 GLU 73 2.454 -4.490 7.395 536 H LEU 74 HN LEU 74 0.933 -1.349 5.701 537 HA LEU 74 HA LEU 74 2.502 -2.816 3.815 538 HB2 LEU 74 HB2 LEU 74 0.009 -1.825 3.769 539 HB3 LEU 74 HB1 LEU 74 0.798 -0.491 2.964 540 HG LEU 74 HG LEU 74 0.363 -3.314 1.985 541 HD11 LEU 74 HD11 LEU 74 -0.275 -0.658 0.797 542 HD12 LEU 74 HD12 LEU 74 -1.388 -1.792 1.562 543 HD13 LEU 74 HD13 LEU 74 -0.579 -2.229 0.058 544 HD21 LEU 74 HD21 LEU 74 2.255 -1.309 0.739 545 HD22 LEU 74 HD22 LEU 74 1.761 -2.847 0.027 546 HD23 LEU 74 HD23 LEU 74 2.727 -2.825 1.505 547 H LEU 75 HN LEU 75 2.212 0.633 4.601 548 HA LEU 75 HA LEU 75 4.068 1.714 2.836 549 HB2 LEU 75 HB2 LEU 75 2.513 3.033 4.194 550 HB3 LEU 75 HB1 LEU 75 3.415 2.617 5.638 551 HG LEU 75 HG LEU 75 5.376 3.832 4.723 552 HD11 LEU 75 HD11 LEU 75 5.064 5.327 2.812 553 HD12 LEU 75 HD12 LEU 75 3.456 4.644 2.554 554 HD13 LEU 75 HD13 LEU 75 4.886 3.631 2.364 555 HD21 LEU 75 HD21 LEU 75 2.836 5.450 4.911 556 HD22 LEU 75 HD22 LEU 75 4.475 6.079 5.073 557 HD23 LEU 75 HD23 LEU 75 3.848 4.941 6.264 558 H ASP 76 HN ASP 76 4.517 0.577 6.147 559 HA ASP 76 HA ASP 76 7.254 1.138 6.437 560 HB2 ASP 76 HB2 ASP 76 5.783 0.535 8.328 561 HB3 ASP 76 HB1 ASP 76 5.671 -1.108 7.711 562 H LEU 77 HN LEU 77 5.590 -1.643 5.161 563 HA LEU 77 HA LEU 77 7.764 -3.384 4.839 564 HB2 LEU 77 HB2 LEU 77 5.462 -4.120 4.676 565 HB3 LEU 77 HB1 LEU 77 5.208 -3.113 3.268 566 HG LEU 77 HG LEU 77 6.833 -4.517 2.026 567 HD11 LEU 77 HD11 LEU 77 7.456 -6.697 2.940 568 HD12 LEU 77 HD12 LEU 77 6.722 -6.260 4.483 569 HD13 LEU 77 HD13 LEU 77 8.128 -5.373 3.891 570 HD21 LEU 77 HD21 LEU 77 4.446 -4.877 1.840 571 HD22 LEU 77 HD22 LEU 77 4.483 -5.944 3.243 572 HD23 LEU 77 HD23 LEU 77 5.312 -6.411 1.759 573 H ILE 78 HN ILE 78 6.267 -1.063 2.645 574 HA ILE 78 HA ILE 78 8.098 -1.648 0.558 575 HB ILE 78 HB ILE 78 6.176 0.697 0.811 576 HG12 ILE 78 HG12 ILE 78 5.994 -1.949 -0.647 577 HG13 ILE 78 HG11 ILE 78 5.035 -1.446 0.736 578 HG21 ILE 78 HG21 ILE 78 7.723 -0.277 -1.602 579 HG22 ILE 78 HG22 ILE 78 8.022 1.223 -0.729 580 HG23 ILE 78 HG23 ILE 78 6.510 1.005 -1.610 581 HD11 ILE 78 HD11 ILE 78 4.945 -0.265 -2.031 582 HD12 ILE 78 HD12 ILE 78 3.980 0.285 -0.654 583 HD13 ILE 78 HD13 ILE 78 3.751 -1.337 -1.305 584 H ASN 79 HN ASN 79 7.901 0.839 3.048 585 HA ASN 79 HA ASN 79 9.988 2.463 2.082 586 HB2 ASN 79 HB2 ASN 79 8.807 2.079 4.792 587 HB3 ASN 79 HB1 ASN 79 10.314 2.955 4.654 588 HD21 ASN 79 HD21 ASN 79 7.706 3.067 2.272 589 HD22 ASN 79 HD22 ASN 79 7.286 4.718 2.620 590 H GLY 80 HN GLY 80 10.075 -0.359 4.189 591 HA2 GLY 80 HA2 GLY 80 12.842 -0.295 4.724 592 HA3 GLY 80 HA1 GLY 80 11.826 -1.736 4.770 593 H ALA 81 HN ALA 81 10.996 -1.725 2.111 594 HA ALA 81 HA ALA 81 13.233 -2.980 0.875 595 HB1 ALA 81 HB1 ALA 81 10.507 -2.327 -0.251 596 HB2 ALA 81 HB2 ALA 81 10.948 -3.813 0.591 597 HB3 ALA 81 HB3 ALA 81 11.687 -3.427 -0.963 598 H LEU 82 HN LEU 82 11.743 0.148 0.698 599 HA LEU 82 HA LEU 82 12.761 1.010 -1.773 600 HB2 LEU 82 HB2 LEU 82 11.850 2.569 0.622 601 HB3 LEU 82 HB1 LEU 82 12.345 3.323 -0.880 602 HG LEU 82 HG LEU 82 10.044 1.402 -0.576 603 HD11 LEU 82 HD11 LEU 82 10.073 4.385 -0.922 604 HD12 LEU 82 HD12 LEU 82 9.604 3.506 0.532 605 HD13 LEU 82 HD13 LEU 82 8.643 3.356 -0.936 606 HD21 LEU 82 HD21 LEU 82 11.051 1.315 -2.791 607 HD22 LEU 82 HD22 LEU 82 10.933 3.069 -2.922 608 HD23 LEU 82 HD23 LEU 82 9.468 2.091 -2.847 609 H ALA 83 HN ALA 83 14.314 0.586 1.200 610 HA ALA 83 HA ALA 83 16.438 2.420 0.873 611 HB1 ALA 83 HB1 ALA 83 16.022 1.228 2.991 612 HB2 ALA 83 HB2 ALA 83 17.673 0.970 2.427 613 HB3 ALA 83 HB3 ALA 83 16.458 -0.293 2.217 614 H GLU 84 HN GLU 84 15.665 -0.666 -0.486 615 HA GLU 84 HA GLU 84 18.246 -0.949 -1.836 616 HB2 GLU 84 HB2 GLU 84 15.920 -2.867 -1.550 617 HB3 GLU 84 HB1 GLU 84 17.486 -3.234 -2.248 618 HG2 GLU 84 HG2 GLU 84 17.036 -2.443 0.624 619 HG3 GLU 84 HG1 GLU 84 17.178 -4.103 0.051 620 H ALA 85 HN ALA 85 15.699 0.807 -2.433 621 HA ALA 85 HA ALA 85 15.091 -0.217 -5.106 622 HB1 ALA 85 HB1 ALA 85 13.172 0.195 -3.635 623 HB2 ALA 85 HB2 ALA 85 13.151 1.239 -5.057 624 HB3 ALA 85 HB3 ALA 85 13.654 1.884 -3.494 625 H ALA 86 HN ALA 86 14.602 1.658 -6.669 626 HA ALA 86 HA ALA 86 16.451 3.855 -6.374 627 HB1 ALA 86 HB1 ALA 86 16.595 1.886 -8.671 628 HB2 ALA 86 HB2 ALA 86 17.813 2.091 -7.412 629 HB3 ALA 86 HB3 ALA 86 17.499 3.395 -8.559 630 H281 PSR 87 H28A PSR 87 -8.042 -10.798 -6.014 631 H282 PSR 87 H28B PSR 87 -7.267 -9.696 -4.886 632 H301 PSR 87 H30A PSR 87 -4.472 -10.873 -6.837 633 H302 PSR 87 H30B PSR 87 -5.349 -9.473 -6.222 634 H303 PSR 87 H30C PSR 87 -6.097 -10.518 -7.438 635 H311 PSR 87 H31A PSR 87 -4.140 -11.614 -4.476 636 H312 PSR 87 H31B PSR 87 -5.546 -11.745 -3.419 637 H313 PSR 87 H31C PSR 87 -5.008 -10.166 -3.973 638 H321 PSR 87 H32A PSR 87 -5.167 -13.151 -6.396 639 H331 PSR 87 H33A PSR 87 -7.762 -13.502 -6.552 640 H361 PSR 87 H36A PSR 87 -4.726 -13.855 -4.144 641 H371 PSR 87 H37A PSR 87 -6.901 -15.154 -2.642 642 H372 PSR 87 H37B PSR 87 -5.619 -16.155 -3.302 643 H381 PSR 87 H38A PSR 87 -5.071 -15.719 -1.053 644 H382 PSR 87 H38B PSR 87 -3.942 -14.780 -2.055 645 H411 PSR 87 H41A PSR 87 -3.483 -13.371 -0.499 646 H421 PSR 87 H42A PSR 87 -5.511 -11.755 0.854 647 H422 PSR 87 H42B PSR 87 -3.786 -11.816 1.170 648 H431 PSR 87 H43A PSR 87 -4.152 -9.699 0.149 649 H432 PSR 87 H43B PSR 87 -5.127 -10.455 -1.111 650 HC21 PSR 87 H2A PSR 87 -2.039 -8.363 -4.003 651 HC22 PSR 87 H2B PSR 87 -2.667 -9.971 -4.310 652 HC31 PSR 87 H3A PSR 87 -0.798 -11.026 -3.318 653 HC32 PSR 87 H3B PSR 87 -0.186 -9.482 -2.694 654 HC41 PSR 87 H4C PSR 87 -0.522 -10.218 -5.599 655 HC42 PSR 87 H4A PSR 87 1.007 -10.175 -4.712 656 HC43 PSR 87 H4B PSR 87 0.094 -8.688 -4.968 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 19.980 10.641 1.950 2 H2 MET 1 HT2 MET 1 20.420 9.755 3.311 3 H3 MET 1 HT3 MET 1 20.261 11.461 3.418 4 HA MET 1 HA MET 1 18.461 10.228 4.438 5 HB2 MET 1 HB2 MET 1 16.651 11.474 3.475 6 HB3 MET 1 HB1 MET 1 18.077 12.491 3.375 7 HG2 MET 1 HG2 MET 1 18.316 11.967 1.018 8 HG3 MET 1 HG1 MET 1 16.952 10.856 1.107 9 HE1 MET 1 HE1 MET 1 17.391 14.371 2.807 10 HE2 MET 1 HE2 MET 1 16.653 15.427 1.601 11 HE3 MET 1 HE3 MET 1 18.141 14.561 1.223 12 H ALA 2 HN ALA 2 16.451 9.061 3.924 13 HA ALA 2 HA ALA 2 16.966 7.099 1.819 14 HB1 ALA 2 HB1 ALA 2 15.220 6.920 4.279 15 HB2 ALA 2 HB2 ALA 2 16.800 6.163 4.074 16 HB3 ALA 2 HB3 ALA 2 15.437 5.644 3.081 17 H THR 3 HN THR 3 15.740 7.330 0.051 18 HA THR 3 HA THR 3 13.456 9.031 0.177 19 HB THR 3 HB THR 3 14.888 9.104 -1.819 20 HG1 THR 3 HG1 THR 3 12.563 9.404 -1.948 21 HG21 THR 3 HG21 THR 3 14.965 7.246 -3.445 22 HG22 THR 3 HG22 THR 3 14.056 6.237 -2.315 23 HG23 THR 3 HG23 THR 3 15.678 6.787 -1.897 24 H LEU 4 HN LEU 4 11.753 8.319 1.058 25 HA LEU 4 HA LEU 4 10.955 5.515 0.745 26 HB2 LEU 4 HB2 LEU 4 10.676 7.238 3.210 27 HB3 LEU 4 HB1 LEU 4 10.082 5.603 3.034 28 HG LEU 4 HG LEU 4 12.984 6.438 3.072 29 HD11 LEU 4 HD11 LEU 4 11.309 4.989 5.111 30 HD12 LEU 4 HD12 LEU 4 11.929 6.634 5.243 31 HD13 LEU 4 HD13 LEU 4 13.047 5.270 5.218 32 HD21 LEU 4 HD21 LEU 4 12.632 4.479 1.650 33 HD22 LEU 4 HD22 LEU 4 11.751 3.683 2.954 34 HD23 LEU 4 HD23 LEU 4 13.468 4.038 3.139 35 H LEU 5 HN LEU 5 8.592 5.366 1.512 36 HA LEU 5 HA LEU 5 7.044 7.277 -0.006 37 HB2 LEU 5 HB2 LEU 5 6.273 4.810 1.525 38 HB3 LEU 5 HB1 LEU 5 5.194 5.766 0.543 39 HG LEU 5 HG LEU 5 7.558 4.227 -0.514 40 HD11 LEU 5 HD11 LEU 5 5.839 2.690 -1.340 41 HD12 LEU 5 HD12 LEU 5 4.615 3.629 -0.464 42 HD13 LEU 5 HD13 LEU 5 5.866 2.765 0.424 43 HD21 LEU 5 HD21 LEU 5 5.240 5.581 -1.877 44 HD22 LEU 5 HD22 LEU 5 6.492 4.618 -2.660 45 HD23 LEU 5 HD23 LEU 5 6.912 6.144 -1.882 46 H THR 6 HN THR 6 5.928 8.843 0.958 47 HA THR 6 HA THR 6 5.768 8.765 3.850 48 HB THR 6 HB THR 6 5.133 11.168 3.684 49 HG1 THR 6 HG1 THR 6 5.592 10.733 0.876 50 HG21 THR 6 HG21 THR 6 7.340 12.001 2.992 51 HG22 THR 6 HG22 THR 6 7.685 10.447 2.230 52 HG23 THR 6 HG23 THR 6 7.484 10.547 3.981 53 H THR 7 HN THR 7 3.600 10.081 4.464 54 HA THR 7 HA THR 7 1.463 8.393 4.043 55 HB THR 7 HB THR 7 1.298 11.350 4.629 56 HG1 THR 7 HG1 THR 7 2.770 10.166 6.102 57 HG21 THR 7 HG21 THR 7 -0.530 9.053 5.377 58 HG22 THR 7 HG22 THR 7 -0.877 10.291 4.176 59 HG23 THR 7 HG23 THR 7 -0.749 10.726 5.881 60 H ASP 8 HN ASP 8 2.240 11.483 2.368 61 HA ASP 8 HA ASP 8 0.041 11.519 0.621 62 HB2 ASP 8 HB2 ASP 8 1.407 13.497 0.879 63 HB3 ASP 8 HB1 ASP 8 2.798 12.673 0.183 64 H ASP 9 HN ASP 9 3.190 9.997 0.225 65 HA ASP 9 HA ASP 9 2.946 9.298 -2.514 66 HB2 ASP 9 HB2 ASP 9 4.494 7.890 -0.332 67 HB3 ASP 9 HB1 ASP 9 4.606 7.497 -2.032 68 H LEU 10 HN LEU 10 2.263 7.562 0.438 69 HA LEU 10 HA LEU 10 1.313 5.216 -0.814 70 HB2 LEU 10 HB2 LEU 10 2.123 5.432 1.538 71 HB3 LEU 10 HB1 LEU 10 0.648 6.292 1.920 72 HG LEU 10 HG LEU 10 -0.624 4.251 1.232 73 HD11 LEU 10 HD11 LEU 10 1.071 3.209 -0.162 74 HD12 LEU 10 HD12 LEU 10 0.574 2.129 1.141 75 HD13 LEU 10 HD13 LEU 10 2.112 2.988 1.246 76 HD21 LEU 10 HD21 LEU 10 -0.166 3.062 3.304 77 HD22 LEU 10 HD22 LEU 10 -0.189 4.813 3.553 78 HD23 LEU 10 HD23 LEU 10 1.346 3.953 3.479 79 H ARG 11 HN ARG 11 -0.254 8.061 0.559 80 HA ARG 11 HA ARG 11 -2.910 7.391 0.435 81 HB2 ARG 11 HB2 ARG 11 -1.964 9.403 1.522 82 HB3 ARG 11 HB1 ARG 11 -1.716 10.123 -0.055 83 HG2 ARG 11 HG2 ARG 11 -4.143 10.167 -0.418 84 HG3 ARG 11 HG1 ARG 11 -4.354 9.374 1.152 85 HD2 ARG 11 HD2 ARG 11 -4.710 11.843 1.230 86 HD3 ARG 11 HD1 ARG 11 -3.462 11.250 2.325 87 HE ARG 11 HE ARG 11 -2.472 12.102 -0.231 88 HH11 ARG 11 HH11 ARG 11 -3.409 13.352 2.993 89 HH12 ARG 11 HH12 ARG 11 -2.308 14.639 2.954 90 HH21 ARG 11 HH21 ARG 11 -0.908 13.898 -0.206 91 HH22 ARG 11 HH22 ARG 11 -0.833 14.937 1.131 92 H ARG 12 HN ARG 12 -1.065 9.065 -2.088 93 HA ARG 12 HA ARG 12 -3.173 9.214 -3.910 94 HB2 ARG 12 HB2 ARG 12 -1.414 9.527 -5.672 95 HB3 ARG 12 HB1 ARG 12 -1.326 10.622 -4.304 96 HG2 ARG 12 HG2 ARG 12 0.464 9.194 -3.352 97 HG3 ARG 12 HG1 ARG 12 0.422 8.239 -4.838 98 HD2 ARG 12 HD2 ARG 12 1.033 10.127 -6.145 99 HD3 ARG 12 HD1 ARG 12 0.864 11.205 -4.763 100 HE ARG 12 HE ARG 12 2.773 9.210 -4.216 101 HH11 ARG 12 HH11 ARG 12 2.272 12.223 -5.987 102 HH12 ARG 12 HH12 ARG 12 3.910 12.625 -6.124 103 HH21 ARG 12 HH21 ARG 12 5.125 9.849 -4.231 104 HH22 ARG 12 HH22 ARG 12 5.555 11.234 -5.101 105 H ALA 13 HN ALA 13 -0.952 6.564 -3.340 106 HA ALA 13 HA ALA 13 -1.711 5.053 -5.627 107 HB1 ALA 13 HB1 ALA 13 -0.578 3.182 -4.539 108 HB2 ALA 13 HB2 ALA 13 -0.510 4.090 -3.028 109 HB3 ALA 13 HB3 ALA 13 0.400 4.646 -4.432 110 H LEU 14 HN LEU 14 -2.740 5.041 -2.244 111 HA LEU 14 HA LEU 14 -4.624 2.930 -2.442 112 HB2 LEU 14 HB2 LEU 14 -4.297 5.218 -0.523 113 HB3 LEU 14 HB1 LEU 14 -5.723 4.221 -0.441 114 HG LEU 14 HG LEU 14 -4.087 3.586 1.242 115 HD11 LEU 14 HD11 LEU 14 -5.532 1.864 0.418 116 HD12 LEU 14 HD12 LEU 14 -3.943 1.211 0.823 117 HD13 LEU 14 HD13 LEU 14 -4.384 1.482 -0.864 118 HD21 LEU 14 HD21 LEU 14 -1.976 2.539 0.653 119 HD22 LEU 14 HD22 LEU 14 -2.046 4.216 0.111 120 HD23 LEU 14 HD23 LEU 14 -2.270 2.903 -1.046 121 H VAL 15 HN VAL 15 -5.017 6.427 -2.633 122 HA VAL 15 HA VAL 15 -7.739 6.388 -3.275 123 HB VAL 15 HB VAL 15 -5.643 8.546 -3.755 124 HG11 VAL 15 HG11 VAL 15 -7.501 8.901 -5.313 125 HG12 VAL 15 HG12 VAL 15 -7.473 10.129 -4.047 126 HG13 VAL 15 HG13 VAL 15 -8.644 8.808 -3.972 127 HG21 VAL 15 HG21 VAL 15 -7.772 8.219 -1.655 128 HG22 VAL 15 HG22 VAL 15 -6.671 9.589 -1.806 129 HG23 VAL 15 HG23 VAL 15 -6.038 7.986 -1.434 130 H GLU 16 HN GLU 16 -5.083 5.493 -5.194 131 HA GLU 16 HA GLU 16 -6.441 6.032 -7.672 132 HB2 GLU 16 HB2 GLU 16 -3.952 6.235 -7.524 133 HB3 GLU 16 HB1 GLU 16 -3.854 4.505 -7.231 134 HG2 GLU 16 HG2 GLU 16 -4.738 4.045 -9.435 135 HG3 GLU 16 HG1 GLU 16 -4.983 5.765 -9.726 136 H SER 17 HN SER 17 -5.380 3.108 -5.871 137 HA SER 17 HA SER 17 -6.631 1.293 -7.612 138 HB2 SER 17 HB2 SER 17 -6.032 0.855 -4.676 139 HB3 SER 17 HB1 SER 17 -6.089 -0.384 -5.933 140 HG SER 17 HG SER 17 -4.383 1.204 -6.887 141 H ALA 18 HN ALA 18 -7.797 2.962 -4.724 142 HA ALA 18 HA ALA 18 -10.400 1.610 -4.962 143 HB1 ALA 18 HB1 ALA 18 -10.807 2.327 -2.686 144 HB2 ALA 18 HB2 ALA 18 -9.253 3.166 -2.668 145 HB3 ALA 18 HB3 ALA 18 -9.310 1.408 -2.816 146 H GLY 19 HN GLY 19 -9.409 3.910 -6.552 147 HA2 GLY 19 HA2 GLY 19 -11.275 5.993 -5.716 148 HA3 GLY 19 HA1 GLY 19 -10.195 6.064 -7.109 149 H GLU 20 HN GLU 20 -11.155 3.256 -7.653 150 HA GLU 20 HA GLU 20 -13.375 4.106 -9.314 151 HB2 GLU 20 HB2 GLU 20 -11.289 2.032 -9.566 152 HB3 GLU 20 HB1 GLU 20 -12.818 1.760 -10.401 153 HG2 GLU 20 HG2 GLU 20 -11.114 2.793 -11.849 154 HG3 GLU 20 HG1 GLU 20 -12.541 3.797 -11.659 155 H THR 21 HN THR 21 -13.201 2.840 -6.436 156 HA THR 21 HA THR 21 -15.487 1.046 -6.741 157 HB THR 21 HB THR 21 -15.100 0.968 -4.165 158 HG1 THR 21 HG1 THR 21 -13.424 2.099 -3.470 159 HG21 THR 21 HG21 THR 21 -13.323 -0.724 -4.403 160 HG22 THR 21 HG22 THR 21 -12.983 -0.143 -6.032 161 HG23 THR 21 HG23 THR 21 -14.535 -0.902 -5.672 162 H ASP 22 HN ASP 22 -15.113 2.963 -4.097 163 HA ASP 22 HA ASP 22 -17.341 4.714 -4.973 164 HB2 ASP 22 HB2 ASP 22 -17.785 3.595 -2.802 165 HB3 ASP 22 HB1 ASP 22 -16.315 4.312 -2.144 166 H GLY 23 HN GLY 23 -14.408 4.776 -3.017 167 HA2 GLY 23 HA2 GLY 23 -12.570 6.164 -3.726 168 HA3 GLY 23 HA1 GLY 23 -13.754 7.339 -4.283 169 H THR 24 HN THR 24 -15.433 7.697 -2.263 170 HA THR 24 HA THR 24 -13.667 9.065 -0.426 171 HB THR 24 HB THR 24 -16.674 9.329 -0.704 172 HG1 THR 24 HG1 THR 24 -16.065 10.052 -2.559 173 HG21 THR 24 HG21 THR 24 -14.573 11.179 0.457 174 HG22 THR 24 HG22 THR 24 -15.725 10.227 1.396 175 HG23 THR 24 HG23 THR 24 -16.300 11.520 0.345 176 H ASP 25 HN ASP 25 -13.095 7.114 0.555 177 HA ASP 25 HA ASP 25 -14.749 6.555 2.919 178 HB2 ASP 25 HB2 ASP 25 -15.204 4.700 1.239 179 HB3 ASP 25 HB1 ASP 25 -13.497 4.293 1.314 180 H LEU 26 HN LEU 26 -11.822 5.526 1.280 181 HA LEU 26 HA LEU 26 -10.277 5.787 3.753 182 HB2 LEU 26 HB2 LEU 26 -8.592 4.509 2.753 183 HB3 LEU 26 HB1 LEU 26 -10.074 3.814 2.147 184 HG LEU 26 HG LEU 26 -8.276 5.672 0.585 185 HD11 LEU 26 HD11 LEU 26 -7.628 3.667 -0.642 186 HD12 LEU 26 HD12 LEU 26 -8.542 2.695 0.523 187 HD13 LEU 26 HD13 LEU 26 -7.149 3.632 1.053 188 HD21 LEU 26 HD21 LEU 26 -10.513 5.786 -0.312 189 HD22 LEU 26 HD22 LEU 26 -10.658 4.021 -0.271 190 HD23 LEU 26 HD23 LEU 26 -9.522 4.789 -1.376 191 H SER 27 HN SER 27 -11.366 7.946 2.046 192 HA SER 27 HA SER 27 -9.274 9.298 0.733 193 HB2 SER 27 HB2 SER 27 -11.080 11.176 0.906 194 HB3 SER 27 HB1 SER 27 -11.380 9.764 -0.109 195 HG SER 27 HG SER 27 -12.698 10.638 2.077 196 H GLY 28 HN GLY 28 -7.736 10.434 1.600 197 HA2 GLY 28 HA2 GLY 28 -6.678 11.959 3.008 198 HA3 GLY 28 HA1 GLY 28 -8.167 12.083 3.934 199 H ASP 29 HN ASP 29 -8.703 9.928 5.083 200 HA ASP 29 HA ASP 29 -6.235 8.978 6.309 201 HB2 ASP 29 HB2 ASP 29 -7.293 8.781 8.488 202 HB3 ASP 29 HB1 ASP 29 -7.447 10.427 7.901 203 H PHE 30 HN PHE 30 -5.958 7.021 6.595 204 HA PHE 30 HA PHE 30 -7.843 4.874 6.176 205 HB2 PHE 30 HB2 PHE 30 -7.025 4.101 3.949 206 HB3 PHE 30 HB1 PHE 30 -7.604 5.739 3.876 207 HD1 PHE 30 HD2 PHE 30 -6.077 7.664 3.666 208 HD2 PHE 30 HD1 PHE 30 -4.620 3.665 3.569 209 HE1 PHE 30 HE2 PHE 30 -3.988 8.441 2.629 210 HE2 PHE 30 HE1 PHE 30 -2.536 4.448 2.527 211 HZ PHE 30 HZ PHE 30 -2.108 6.904 2.375 212 H LEU 31 HN LEU 31 -4.654 6.147 6.380 213 HA LEU 31 HA LEU 31 -2.940 4.101 6.176 214 HB2 LEU 31 HB2 LEU 31 -2.443 6.465 6.135 215 HB3 LEU 31 HB1 LEU 31 -2.789 6.585 7.840 216 HG LEU 31 HG LEU 31 -0.787 5.306 8.379 217 HD11 LEU 31 HD11 LEU 31 -0.374 5.190 5.396 218 HD12 LEU 31 HD12 LEU 31 -0.791 3.822 6.426 219 HD13 LEU 31 HD13 LEU 31 0.760 4.634 6.624 220 HD21 LEU 31 HD21 LEU 31 -0.613 7.714 8.072 221 HD22 LEU 31 HD22 LEU 31 -0.276 7.475 6.357 222 HD23 LEU 31 HD23 LEU 31 0.863 6.892 7.570 223 H ASP 32 HN ASP 32 -4.571 5.088 9.209 224 HA ASP 32 HA ASP 32 -3.158 2.852 10.467 225 HB2 ASP 32 HB2 ASP 32 -4.606 5.161 11.774 226 HB3 ASP 32 HB1 ASP 32 -3.891 3.815 12.652 227 H LEU 33 HN LEU 33 -5.886 3.178 8.890 228 HA LEU 33 HA LEU 33 -7.573 1.588 10.666 229 HB2 LEU 33 HB2 LEU 33 -8.023 2.643 7.854 230 HB3 LEU 33 HB1 LEU 33 -9.173 1.641 8.689 231 HG LEU 33 HG LEU 33 -9.376 3.511 10.399 232 HD11 LEU 33 HD11 LEU 33 -7.311 4.688 9.913 233 HD12 LEU 33 HD12 LEU 33 -8.710 5.742 9.705 234 HD13 LEU 33 HD13 LEU 33 -7.897 5.065 8.294 235 HD21 LEU 33 HD21 LEU 33 -10.143 4.092 7.548 236 HD22 LEU 33 HD22 LEU 33 -10.850 4.838 8.983 237 HD23 LEU 33 HD23 LEU 33 -11.050 3.109 8.698 238 H ARG 34 HN ARG 34 -8.232 -0.576 9.923 239 HA ARG 34 HA ARG 34 -6.073 -1.814 8.487 240 HB2 ARG 34 HB2 ARG 34 -7.063 -3.025 10.393 241 HB3 ARG 34 HB1 ARG 34 -8.630 -3.036 9.592 242 HG2 ARG 34 HG2 ARG 34 -7.877 -4.494 7.926 243 HG3 ARG 34 HG1 ARG 34 -6.194 -4.290 8.387 244 HD2 ARG 34 HD2 ARG 34 -7.042 -6.352 8.949 245 HD3 ARG 34 HD1 ARG 34 -6.648 -5.503 10.454 246 HE ARG 34 HE ARG 34 -9.356 -5.099 10.015 247 HH11 ARG 34 HH11 ARG 34 -7.274 -7.935 10.571 248 HH12 ARG 34 HH12 ARG 34 -8.562 -8.928 11.084 249 HH21 ARG 34 HH21 ARG 34 -11.067 -6.443 10.729 250 HH22 ARG 34 HH22 ARG 34 -10.761 -8.040 11.245 251 H PHE 35 HN PHE 35 -6.314 -3.000 6.489 252 HA PHE 35 HA PHE 35 -7.550 -1.659 4.409 253 HB2 PHE 35 HB2 PHE 35 -7.007 -4.633 4.455 254 HB3 PHE 35 HB1 PHE 35 -7.203 -3.629 3.024 255 HD1 PHE 35 HD2 PHE 35 -5.483 -1.906 2.497 256 HD2 PHE 35 HD1 PHE 35 -5.004 -4.787 5.576 257 HE1 PHE 35 HE2 PHE 35 -3.058 -1.485 2.505 258 HE2 PHE 35 HE1 PHE 35 -2.631 -4.394 5.613 259 HZ PHE 35 HZ PHE 35 -1.614 -2.732 4.069 260 H GLU 36 HN GLU 36 -8.771 -4.389 6.216 261 HA GLU 36 HA GLU 36 -11.179 -4.910 4.987 262 HB2 GLU 36 HB2 GLU 36 -10.651 -4.902 7.960 263 HB3 GLU 36 HB1 GLU 36 -11.906 -5.808 7.126 264 HG2 GLU 36 HG2 GLU 36 -8.943 -6.207 6.739 265 HG3 GLU 36 HG1 GLU 36 -9.969 -7.173 7.786 266 H ASP 37 HN ASP 37 -10.347 -2.299 7.207 267 HA ASP 37 HA ASP 37 -13.076 -1.383 7.517 268 HB2 ASP 37 HB2 ASP 37 -10.472 -0.015 8.229 269 HB3 ASP 37 HB1 ASP 37 -12.071 0.573 8.642 270 H ILE 38 HN ILE 38 -10.450 -0.814 5.356 271 HA ILE 38 HA ILE 38 -11.780 1.593 4.376 272 HB ILE 38 HB ILE 38 -9.779 2.060 3.013 273 HG12 ILE 38 HG12 ILE 38 -8.537 -0.351 4.375 274 HG13 ILE 38 HG11 ILE 38 -8.993 -0.331 2.684 275 HG21 ILE 38 HG21 ILE 38 -9.190 1.565 5.924 276 HG22 ILE 38 HG22 ILE 38 -9.937 3.005 5.234 277 HG23 ILE 38 HG23 ILE 38 -8.257 2.618 4.859 278 HD11 ILE 38 HD11 ILE 38 -6.623 -0.025 2.915 279 HD12 ILE 38 HD12 ILE 38 -6.860 1.339 4.008 280 HD13 ILE 38 HD13 ILE 38 -7.338 1.472 2.315 281 H GLY 39 HN GLY 39 -12.463 -1.313 3.949 282 HA2 GLY 39 HA2 GLY 39 -13.454 -2.579 2.321 283 HA3 GLY 39 HA1 GLY 39 -13.720 -1.061 1.475 284 H TYR 40 HN TYR 40 -10.827 -2.954 2.278 285 HA TYR 40 HA TYR 40 -10.106 -2.611 -0.485 286 HB2 TYR 40 HB2 TYR 40 -8.396 -2.592 1.896 287 HB3 TYR 40 HB1 TYR 40 -7.833 -3.680 0.670 288 HD1 TYR 40 HD2 TYR 40 -9.613 -0.446 0.405 289 HD2 TYR 40 HD1 TYR 40 -6.171 -2.728 -0.507 290 HE1 TYR 40 HE2 TYR 40 -8.691 1.454 -0.839 291 HE2 TYR 40 HE1 TYR 40 -5.240 -0.850 -1.738 292 HH TYR 40 HH TYR 40 -5.935 1.195 -2.833 293 H ASP 41 HN ASP 41 -10.495 -3.926 -1.821 294 HA ASP 41 HA ASP 41 -10.978 -6.725 -1.285 295 HB2 ASP 41 HB2 ASP 41 -12.375 -5.444 -2.932 296 HB3 ASP 41 HB1 ASP 41 -10.894 -5.140 -3.841 297 H SER 42 HN SER 42 -9.905 -8.283 -2.715 298 HA SER 42 HA SER 42 -7.194 -8.343 -2.248 299 HB2 SER 42 HB2 SER 42 -7.214 -10.343 -3.754 300 HB3 SER 42 HB1 SER 42 -8.407 -10.381 -2.462 301 H LEU 43 HN LEU 43 -8.911 -7.518 -5.244 302 HA LEU 43 HA LEU 43 -6.543 -7.143 -6.776 303 HB2 LEU 43 HB2 LEU 43 -8.549 -7.481 -7.995 304 HB3 LEU 43 HB1 LEU 43 -9.357 -6.158 -7.178 305 HG LEU 43 HG LEU 43 -7.892 -4.550 -8.334 306 HD11 LEU 43 HD11 LEU 43 -6.785 -6.920 -9.838 307 HD12 LEU 43 HD12 LEU 43 -5.924 -5.901 -8.674 308 HD13 LEU 43 HD13 LEU 43 -6.477 -5.212 -10.185 309 HD21 LEU 43 HD21 LEU 43 -9.332 -6.449 -10.167 310 HD22 LEU 43 HD22 LEU 43 -8.864 -4.793 -10.563 311 HD23 LEU 43 HD23 LEU 43 -10.046 -5.097 -9.288 312 H ALA 44 HN ALA 44 -8.501 -4.988 -4.856 313 HA ALA 44 HA ALA 44 -7.355 -2.589 -5.745 314 HB1 ALA 44 HB1 ALA 44 -8.592 -3.158 -3.049 315 HB2 ALA 44 HB2 ALA 44 -9.467 -2.672 -4.501 316 HB3 ALA 44 HB3 ALA 44 -8.316 -1.566 -3.753 317 H LEU 45 HN LEU 45 -6.587 -4.585 -2.917 318 HA LEU 45 HA LEU 45 -4.550 -2.881 -1.964 319 HB2 LEU 45 HB2 LEU 45 -5.793 -4.577 -0.596 320 HB3 LEU 45 HB1 LEU 45 -4.899 -5.839 -1.408 321 HG LEU 45 HG LEU 45 -3.538 -3.720 0.284 322 HD11 LEU 45 HD11 LEU 45 -5.152 -4.962 1.644 323 HD12 LEU 45 HD12 LEU 45 -3.466 -5.279 2.050 324 HD13 LEU 45 HD13 LEU 45 -4.392 -6.481 1.129 325 HD21 LEU 45 HD21 LEU 45 -2.102 -4.934 -1.256 326 HD22 LEU 45 HD22 LEU 45 -2.721 -6.458 -0.620 327 HD23 LEU 45 HD23 LEU 45 -1.766 -5.388 0.427 328 H MET 46 HN MET 46 -4.441 -5.748 -4.004 329 HA MET 46 HA MET 46 -1.617 -5.926 -4.048 330 HB2 MET 46 HB2 MET 46 -1.851 -7.543 -5.803 331 HB3 MET 46 HB1 MET 46 -3.124 -7.814 -4.628 332 HG2 MET 46 HG2 MET 46 -4.326 -8.021 -6.562 333 HG3 MET 46 HG1 MET 46 -4.464 -6.285 -6.211 334 HE1 MET 46 HE1 MET 46 -1.236 -8.050 -7.589 335 HE2 MET 46 HE2 MET 46 -1.469 -7.926 -9.332 336 HE3 MET 46 HE3 MET 46 -2.517 -8.972 -8.376 337 H GLU 47 HN GLU 47 -3.924 -4.114 -5.969 338 HA GLU 47 HA GLU 47 -2.052 -3.503 -7.998 339 HB2 GLU 47 HB2 GLU 47 -4.502 -3.510 -8.398 340 HB3 GLU 47 HB1 GLU 47 -4.664 -2.117 -7.337 341 HG2 GLU 47 HG2 GLU 47 -3.317 -0.796 -8.800 342 HG3 GLU 47 HG1 GLU 47 -3.040 -2.172 -9.863 343 H THR 48 HN THR 48 -3.158 -1.919 -5.037 344 HA THR 48 HA THR 48 -1.788 0.495 -5.249 345 HB THR 48 HB THR 48 -2.183 -1.211 -2.766 346 HG1 THR 48 HG1 THR 48 -3.935 0.228 -4.352 347 HG21 THR 48 HG21 THR 48 -0.658 0.674 -2.435 348 HG22 THR 48 HG22 THR 48 -2.180 0.932 -1.578 349 HG23 THR 48 HG23 THR 48 -1.866 1.774 -3.097 350 H ALA 49 HN ALA 49 -0.815 -2.628 -3.882 351 HA ALA 49 HA ALA 49 1.793 -2.019 -3.139 352 HB1 ALA 49 HB1 ALA 49 0.657 -4.086 -2.467 353 HB2 ALA 49 HB2 ALA 49 2.224 -4.408 -3.221 354 HB3 ALA 49 HB3 ALA 49 0.743 -4.660 -4.138 355 H ALA 50 HN ALA 50 0.670 -3.562 -6.148 356 HA ALA 50 HA ALA 50 3.164 -3.827 -7.386 357 HB1 ALA 50 HB1 ALA 50 1.931 -4.182 -9.448 358 HB2 ALA 50 HB2 ALA 50 0.481 -3.497 -8.715 359 HB3 ALA 50 HB3 ALA 50 1.145 -5.012 -8.104 360 H ARG 51 HN ARG 51 0.929 -1.186 -7.356 361 HA ARG 51 HA ARG 51 1.887 0.445 -9.427 362 HB2 ARG 51 HB2 ARG 51 -0.202 0.469 -7.786 363 HB3 ARG 51 HB1 ARG 51 0.827 1.499 -6.825 364 HG2 ARG 51 HG2 ARG 51 0.039 2.086 -9.663 365 HG3 ARG 51 HG1 ARG 51 -0.869 2.624 -8.261 366 HD2 ARG 51 HD2 ARG 51 1.214 3.797 -7.503 367 HD3 ARG 51 HD1 ARG 51 1.921 3.393 -9.073 368 HE ARG 51 HE ARG 51 -0.631 4.576 -9.345 369 HH11 ARG 51 HH11 ARG 51 2.750 5.450 -8.740 370 HH12 ARG 51 HH12 ARG 51 2.631 7.007 -9.423 371 HH21 ARG 51 HH21 ARG 51 -0.857 6.700 -10.138 372 HH22 ARG 51 HH22 ARG 51 0.488 7.777 -10.194 373 H LEU 52 HN LEU 52 2.568 0.397 -5.953 374 HA LEU 52 HA LEU 52 4.703 2.273 -6.071 375 HB2 LEU 52 HB2 LEU 52 3.868 0.376 -3.896 376 HB3 LEU 52 HB1 LEU 52 5.048 1.665 -3.715 377 HG LEU 52 HG LEU 52 2.138 2.080 -4.424 378 HD11 LEU 52 HD11 LEU 52 3.616 2.556 -1.868 379 HD12 LEU 52 HD12 LEU 52 2.402 1.305 -2.143 380 HD13 LEU 52 HD13 LEU 52 1.942 3.013 -2.178 381 HD21 LEU 52 HD21 LEU 52 4.315 4.064 -3.763 382 HD22 LEU 52 HD22 LEU 52 2.615 4.448 -4.036 383 HD23 LEU 52 HD23 LEU 52 3.595 3.803 -5.353 384 H GLU 53 HN GLU 53 4.595 -1.263 -5.875 385 HA GLU 53 HA GLU 53 7.264 -1.860 -5.416 386 HB2 GLU 53 HB2 GLU 53 5.286 -3.350 -7.133 387 HB3 GLU 53 HB1 GLU 53 6.856 -3.981 -6.688 388 HG2 GLU 53 HG2 GLU 53 6.152 -3.934 -4.318 389 HG3 GLU 53 HG1 GLU 53 4.580 -3.342 -4.841 390 H SER 54 HN SER 54 5.649 -1.845 -8.559 391 HA SER 54 HA SER 54 7.996 -2.287 -10.040 392 HB2 SER 54 HB2 SER 54 5.671 -2.839 -10.799 393 HB3 SER 54 HB1 SER 54 5.386 -1.118 -11.041 394 HG SER 54 HG SER 54 7.606 -2.337 -12.235 395 H ARG 55 HN ARG 55 6.501 0.620 -8.900 396 HA ARG 55 HA ARG 55 7.661 2.434 -10.734 397 HB2 ARG 55 HB2 ARG 55 5.673 2.821 -9.171 398 HB3 ARG 55 HB1 ARG 55 6.836 3.070 -7.891 399 HG2 ARG 55 HG2 ARG 55 6.693 4.750 -10.402 400 HG3 ARG 55 HG1 ARG 55 5.890 5.157 -8.891 401 HD2 ARG 55 HD2 ARG 55 8.059 5.281 -7.782 402 HD3 ARG 55 HD1 ARG 55 8.858 4.831 -9.285 403 HE ARG 55 HE ARG 55 7.212 7.248 -9.173 404 HH11 ARG 55 HH11 ARG 55 10.382 5.731 -9.558 405 HH12 ARG 55 HH12 ARG 55 11.191 7.154 -10.019 406 HH21 ARG 55 HH21 ARG 55 8.312 9.241 -9.879 407 HH22 ARG 55 HH22 ARG 55 9.988 9.168 -10.209 408 H TYR 56 HN TYR 56 8.771 1.159 -7.621 409 HA TYR 56 HA TYR 56 11.168 2.827 -7.916 410 HB2 TYR 56 HB2 TYR 56 10.198 1.370 -5.465 411 HB3 TYR 56 HB1 TYR 56 11.641 2.371 -5.560 412 HD1 TYR 56 HD2 TYR 56 11.324 4.828 -6.278 413 HD2 TYR 56 HD1 TYR 56 8.154 2.338 -4.922 414 HE1 TYR 56 HE2 TYR 56 10.028 6.806 -5.754 415 HE2 TYR 56 HE1 TYR 56 6.819 4.321 -4.379 416 HH TYR 56 HH TYR 56 7.368 7.254 -5.552 417 H GLY 57 HN GLY 57 10.169 -0.368 -8.263 418 HA2 GLY 57 HA2 GLY 57 11.497 -2.016 -9.255 419 HA3 GLY 57 HA1 GLY 57 12.936 -1.140 -8.744 420 H VAL 58 HN VAL 58 10.147 -2.179 -6.850 421 HA VAL 58 HA VAL 58 11.930 -3.987 -5.405 422 HB VAL 58 HB VAL 58 10.759 -3.483 -3.271 423 HG11 VAL 58 HG11 VAL 58 12.855 -2.367 -3.713 424 HG12 VAL 58 HG12 VAL 58 11.770 -1.283 -2.841 425 HG13 VAL 58 HG13 VAL 58 12.017 -1.076 -4.576 426 HG21 VAL 58 HG21 VAL 58 8.639 -2.668 -4.157 427 HG22 VAL 58 HG22 VAL 58 9.444 -1.251 -4.827 428 HG23 VAL 58 HG23 VAL 58 9.352 -1.469 -3.078 429 H SER 59 HN SER 59 10.446 -5.448 -3.879 430 HA SER 59 HA SER 59 7.992 -6.161 -5.242 431 HB2 SER 59 HB2 SER 59 10.271 -8.096 -4.773 432 HB3 SER 59 HB1 SER 59 8.648 -8.555 -5.284 433 HG SER 59 HG SER 59 8.947 -7.217 -7.114 434 H ILE 60 HN ILE 60 6.504 -6.886 -3.935 435 HA ILE 60 HA ILE 60 7.146 -7.314 -1.095 436 HB ILE 60 HB ILE 60 4.508 -6.678 -2.462 437 HG12 ILE 60 HG12 ILE 60 6.187 -4.992 -0.609 438 HG13 ILE 60 HG11 ILE 60 6.129 -4.804 -2.361 439 HG21 ILE 60 HG21 ILE 60 5.089 -6.976 0.491 440 HG22 ILE 60 HG22 ILE 60 4.132 -8.082 -0.494 441 HG23 ILE 60 HG23 ILE 60 3.558 -6.439 -0.204 442 HD11 ILE 60 HD11 ILE 60 3.748 -4.264 -2.189 443 HD12 ILE 60 HD12 ILE 60 4.778 -3.166 -1.267 444 HD13 ILE 60 HD13 ILE 60 3.862 -4.425 -0.430 445 HA PRO 61 HA PRO 61 6.358 -11.695 -1.818 446 HB2 PRO 61 HB2 PRO 61 5.553 -11.576 1.061 447 HB3 PRO 61 HB1 PRO 61 6.699 -12.663 0.259 448 HG2 PRO 61 HG2 PRO 61 7.587 -10.699 1.794 449 HG3 PRO 61 HG1 PRO 61 8.405 -11.091 0.269 450 HD2 PRO 61 HD2 PRO 61 6.519 -8.855 0.889 451 HD3 PRO 61 HD1 PRO 61 8.005 -8.838 -0.091 452 H ASP 62 HN ASP 62 4.557 -12.279 -2.750 453 HA ASP 62 HA ASP 62 2.117 -10.900 -2.537 454 HB2 ASP 62 HB2 ASP 62 1.111 -12.558 -3.991 455 HB3 ASP 62 HB1 ASP 62 2.711 -12.128 -4.571 456 H ASP 63 HN ASP 63 3.207 -13.723 -0.811 457 HA ASP 63 HA ASP 63 0.599 -14.310 0.241 458 HB2 ASP 63 HB2 ASP 63 2.392 -16.031 0.100 459 HB3 ASP 63 HB1 ASP 63 3.318 -15.138 1.298 460 H VAL 64 HN VAL 64 3.217 -12.235 1.049 461 HA VAL 64 HA VAL 64 2.247 -11.646 3.694 462 HB VAL 64 HB VAL 64 4.434 -10.271 2.081 463 HG11 VAL 64 HG11 VAL 64 3.718 -9.912 4.994 464 HG12 VAL 64 HG12 VAL 64 3.474 -8.720 3.718 465 HG13 VAL 64 HG13 VAL 64 5.111 -9.199 4.179 466 HG21 VAL 64 HG21 VAL 64 4.987 -12.553 2.696 467 HG22 VAL 64 HG22 VAL 64 4.587 -12.211 4.379 468 HG23 VAL 64 HG23 VAL 64 5.962 -11.409 3.620 469 H ALA 65 HN ALA 65 1.814 -10.383 0.488 470 HA ALA 65 HA ALA 65 0.698 -7.890 1.193 471 HB1 ALA 65 HB1 ALA 65 1.325 -8.428 -1.134 472 HB2 ALA 65 HB2 ALA 65 -0.332 -7.846 -1.020 473 HB3 ALA 65 HB3 ALA 65 -0.022 -9.565 -1.232 474 H GLY 66 HN GLY 66 -0.545 -11.076 1.430 475 HA2 GLY 66 HA2 GLY 66 -3.204 -10.036 2.085 476 HA3 GLY 66 HA1 GLY 66 -2.812 -11.724 1.772 477 H ARG 67 HN ARG 67 -0.457 -10.293 3.619 478 HA ARG 67 HA ARG 67 -1.642 -11.351 6.093 479 HB2 ARG 67 HB2 ARG 67 0.288 -12.617 5.044 480 HB3 ARG 67 HB1 ARG 67 1.332 -11.269 5.434 481 HG2 ARG 67 HG2 ARG 67 0.490 -11.609 7.855 482 HG3 ARG 67 HG1 ARG 67 -0.119 -13.157 7.274 483 HD2 ARG 67 HD2 ARG 67 2.725 -12.187 7.324 484 HD3 ARG 67 HD1 ARG 67 2.026 -13.530 8.222 485 HE ARG 67 HE ARG 67 1.602 -14.336 5.755 486 HH11 ARG 67 HH11 ARG 67 4.511 -12.924 7.241 487 HH12 ARG 67 HH12 ARG 67 5.601 -13.706 6.179 488 HH21 ARG 67 HH21 ARG 67 3.112 -15.349 4.247 489 HH22 ARG 67 HH22 ARG 67 4.778 -15.073 4.376 490 H VAL 68 HN VAL 68 -0.945 -8.602 4.535 491 HA VAL 68 HA VAL 68 0.315 -7.184 6.693 492 HB VAL 68 HB VAL 68 -0.065 -5.109 5.246 493 HG11 VAL 68 HG11 VAL 68 1.460 -7.396 4.021 494 HG12 VAL 68 HG12 VAL 68 2.053 -6.285 5.256 495 HG13 VAL 68 HG13 VAL 68 1.677 -5.686 3.640 496 HG21 VAL 68 HG21 VAL 68 -1.968 -5.926 3.952 497 HG22 VAL 68 HG22 VAL 68 -0.951 -7.175 3.232 498 HG23 VAL 68 HG23 VAL 68 -0.633 -5.473 2.894 499 H ASP 69 HN ASP 69 -0.557 -5.895 8.086 500 HA ASP 69 HA ASP 69 -3.382 -6.343 8.554 501 HB2 ASP 69 HB2 ASP 69 -1.822 -6.811 10.327 502 HB3 ASP 69 HB1 ASP 69 -1.211 -5.167 10.271 503 H THR 70 HN THR 70 -1.233 -3.484 8.309 504 HA THR 70 HA THR 70 -3.659 -1.893 7.789 505 HB THR 70 HB THR 70 -2.570 -0.016 9.062 506 HG1 THR 70 HG1 THR 70 -0.972 -1.967 10.363 507 HG21 THR 70 HG21 THR 70 -3.198 -0.847 11.302 508 HG22 THR 70 HG22 THR 70 -3.224 -2.493 10.667 509 HG23 THR 70 HG23 THR 70 -4.392 -1.305 10.085 510 HA PRO 71 HA PRO 71 -1.262 -0.036 4.442 511 HB2 PRO 71 HB2 PRO 71 -2.296 2.561 5.502 512 HB3 PRO 71 HB1 PRO 71 -2.340 1.935 3.848 513 HG2 PRO 71 HG2 PRO 71 -4.536 1.940 5.322 514 HG3 PRO 71 HG1 PRO 71 -4.151 0.557 4.275 515 HD2 PRO 71 HD2 PRO 71 -3.864 0.836 7.236 516 HD3 PRO 71 HD1 PRO 71 -4.397 -0.563 6.283 517 H ARG 72 HN ARG 72 -1.315 1.427 7.656 518 HA ARG 72 HA ARG 72 1.071 2.798 7.801 519 HB2 ARG 72 HB2 ARG 72 -0.531 2.701 9.650 520 HB3 ARG 72 HB1 ARG 72 -0.249 0.985 9.852 521 HG2 ARG 72 HG2 ARG 72 0.845 2.171 11.619 522 HG3 ARG 72 HG1 ARG 72 2.073 1.496 10.554 523 HD2 ARG 72 HD2 ARG 72 2.705 3.729 11.163 524 HD3 ARG 72 HD1 ARG 72 2.272 3.699 9.458 525 HE ARG 72 HE ARG 72 0.061 4.450 11.124 526 HH11 ARG 72 HH11 ARG 72 3.016 5.708 9.574 527 HH12 ARG 72 HH12 ARG 72 2.448 7.313 9.518 528 HH21 ARG 72 HH21 ARG 72 -0.695 6.646 11.080 529 HH22 ARG 72 HH22 ARG 72 0.294 7.876 10.425 530 H GLU 73 HN GLU 73 0.540 -0.623 8.521 531 HA GLU 73 HA GLU 73 3.235 -1.379 8.818 532 HB2 GLU 73 HB2 GLU 73 1.308 -2.554 9.751 533 HB3 GLU 73 HB1 GLU 73 0.790 -2.988 8.134 534 HG2 GLU 73 HG2 GLU 73 2.824 -4.310 7.862 535 HG3 GLU 73 HG1 GLU 73 3.293 -3.894 9.514 536 H LEU 74 HN LEU 74 1.032 -1.437 6.087 537 HA LEU 74 HA LEU 74 2.672 -2.894 4.285 538 HB2 LEU 74 HB2 LEU 74 0.179 -2.605 4.142 539 HB3 LEU 74 HB1 LEU 74 0.417 -0.938 3.711 540 HG LEU 74 HG LEU 74 -0.252 -2.534 1.862 541 HD11 LEU 74 HD11 LEU 74 1.220 -1.546 0.177 542 HD12 LEU 74 HD12 LEU 74 2.308 -0.989 1.451 543 HD13 LEU 74 HD13 LEU 74 0.672 -0.338 1.339 544 HD21 LEU 74 HD21 LEU 74 1.152 -4.412 2.449 545 HD22 LEU 74 HD22 LEU 74 2.606 -3.458 2.148 546 HD23 LEU 74 HD23 LEU 74 1.525 -3.864 0.814 547 H LEU 75 HN LEU 75 2.196 0.563 4.821 548 HA LEU 75 HA LEU 75 3.913 1.692 2.940 549 HB2 LEU 75 HB2 LEU 75 2.382 2.945 4.410 550 HB3 LEU 75 HB1 LEU 75 3.349 2.510 5.798 551 HG LEU 75 HG LEU 75 5.228 3.833 4.818 552 HD11 LEU 75 HD11 LEU 75 4.545 3.762 2.500 553 HD12 LEU 75 HD12 LEU 75 4.713 5.425 3.060 554 HD13 LEU 75 HD13 LEU 75 3.108 4.713 2.881 555 HD21 LEU 75 HD21 LEU 75 4.274 6.006 5.399 556 HD22 LEU 75 HD22 LEU 75 3.788 4.762 6.550 557 HD23 LEU 75 HD23 LEU 75 2.653 5.316 5.319 558 H ASP 76 HN ASP 76 4.458 0.713 6.244 559 HA ASP 76 HA ASP 76 7.154 1.214 6.581 560 HB2 ASP 76 HB2 ASP 76 5.601 0.695 8.387 561 HB3 ASP 76 HB1 ASP 76 5.412 -0.942 7.777 562 H LEU 77 HN LEU 77 5.534 -1.662 5.357 563 HA LEU 77 HA LEU 77 7.804 -3.314 5.122 564 HB2 LEU 77 HB2 LEU 77 5.434 -4.108 5.135 565 HB3 LEU 77 HB1 LEU 77 5.206 -3.406 3.556 566 HG LEU 77 HG LEU 77 5.425 -5.899 3.571 567 HD11 LEU 77 HD11 LEU 77 7.561 -4.498 1.998 568 HD12 LEU 77 HD12 LEU 77 5.883 -4.741 1.512 569 HD13 LEU 77 HD13 LEU 77 6.956 -6.127 1.701 570 HD21 LEU 77 HD21 LEU 77 7.047 -6.136 5.354 571 HD22 LEU 77 HD22 LEU 77 8.271 -5.335 4.371 572 HD23 LEU 77 HD23 LEU 77 7.632 -6.905 3.879 573 H ILE 78 HN ILE 78 6.209 -1.126 2.811 574 HA ILE 78 HA ILE 78 7.978 -1.857 0.704 575 HB ILE 78 HB ILE 78 6.249 0.645 0.875 576 HG12 ILE 78 HG12 ILE 78 5.762 -2.062 -0.370 577 HG13 ILE 78 HG11 ILE 78 4.903 -1.373 0.997 578 HG21 ILE 78 HG21 ILE 78 8.082 0.851 -0.759 579 HG22 ILE 78 HG22 ILE 78 6.526 0.749 -1.573 580 HG23 ILE 78 HG23 ILE 78 7.584 -0.664 -1.514 581 HD11 ILE 78 HD11 ILE 78 3.978 0.363 -0.482 582 HD12 ILE 78 HD12 ILE 78 3.558 -1.271 -1.004 583 HD13 ILE 78 HD13 ILE 78 4.821 -0.380 -1.848 584 H ASN 79 HN ASN 79 7.896 0.681 3.099 585 HA ASN 79 HA ASN 79 10.110 2.097 2.119 586 HB2 ASN 79 HB2 ASN 79 8.937 1.940 4.895 587 HB3 ASN 79 HB1 ASN 79 10.333 2.945 4.527 588 HD21 ASN 79 HD21 ASN 79 7.787 3.911 5.435 589 HD22 ASN 79 HD22 ASN 79 7.155 4.887 4.154 590 H GLY 80 HN GLY 80 9.911 -0.721 4.140 591 HA2 GLY 80 HA2 GLY 80 12.661 -0.844 4.796 592 HA3 GLY 80 HA1 GLY 80 11.546 -2.209 4.775 593 H ALA 81 HN ALA 81 10.791 -1.983 2.066 594 HA ALA 81 HA ALA 81 12.903 -3.452 0.820 595 HB1 ALA 81 HB1 ALA 81 10.302 -2.416 -0.348 596 HB2 ALA 81 HB2 ALA 81 10.527 -3.979 0.418 597 HB3 ALA 81 HB3 ALA 81 11.361 -3.613 -1.091 598 H LEU 82 HN LEU 82 11.533 -0.235 0.442 599 HA LEU 82 HA LEU 82 12.862 0.622 -1.847 600 HB2 LEU 82 HB2 LEU 82 12.041 2.259 0.542 601 HB3 LEU 82 HB1 LEU 82 12.537 2.914 -1.001 602 HG LEU 82 HG LEU 82 10.072 1.294 -0.429 603 HD11 LEU 82 HD11 LEU 82 8.902 3.330 -1.078 604 HD12 LEU 82 HD12 LEU 82 10.451 4.152 -1.275 605 HD13 LEU 82 HD13 LEU 82 9.949 3.588 0.318 606 HD21 LEU 82 HD21 LEU 82 11.059 2.404 -3.051 607 HD22 LEU 82 HD22 LEU 82 9.489 1.650 -2.775 608 HD23 LEU 82 HD23 LEU 82 10.967 0.700 -2.614 609 H ALA 83 HN ALA 83 13.946 0.535 1.455 610 HA ALA 83 HA ALA 83 16.203 2.186 1.168 611 HB1 ALA 83 HB1 ALA 83 15.213 1.610 3.334 612 HB2 ALA 83 HB2 ALA 83 16.945 1.286 3.287 613 HB3 ALA 83 HB3 ALA 83 15.792 -0.045 3.147 614 H GLU 84 HN GLU 84 15.692 -0.868 -0.165 615 HA GLU 84 HA GLU 84 18.560 -1.493 -0.230 616 HB2 GLU 84 HB2 GLU 84 16.259 -3.180 -1.179 617 HB3 GLU 84 HB1 GLU 84 17.935 -3.667 -1.032 618 HG2 GLU 84 HG2 GLU 84 17.741 -3.355 1.422 619 HG3 GLU 84 HG1 GLU 84 16.019 -3.036 1.189 620 H ALA 85 HN ALA 85 15.745 -1.050 -2.370 621 HA ALA 85 HA ALA 85 17.582 -1.196 -4.658 622 HB1 ALA 85 HB1 ALA 85 14.615 -1.644 -4.678 623 HB2 ALA 85 HB2 ALA 85 15.844 -2.909 -4.578 624 HB3 ALA 85 HB3 ALA 85 15.737 -1.894 -6.016 625 H ALA 86 HN ALA 86 15.679 1.124 -3.003 626 HA ALA 86 HA ALA 86 15.499 2.709 -5.439 627 HB1 ALA 86 HB1 ALA 86 13.383 2.450 -4.215 628 HB2 ALA 86 HB2 ALA 86 13.923 4.130 -4.191 629 HB3 ALA 86 HB3 ALA 86 14.138 3.113 -2.767 630 H281 PSR 87 H28A PSR 87 -7.606 -11.247 -7.488 631 H282 PSR 87 H28B PSR 87 -7.510 -9.943 -6.311 632 H301 PSR 87 H30A PSR 87 -4.141 -10.153 -7.615 633 H302 PSR 87 H30B PSR 87 -5.561 -9.142 -7.357 634 H303 PSR 87 H30C PSR 87 -5.612 -10.448 -8.562 635 H311 PSR 87 H31A PSR 87 -5.531 -11.110 -4.405 636 H312 PSR 87 H31B PSR 87 -5.400 -9.493 -5.106 637 H313 PSR 87 H31C PSR 87 -4.057 -10.634 -5.242 638 H321 PSR 87 H32A PSR 87 -4.052 -12.507 -6.854 639 H331 PSR 87 H33A PSR 87 -5.978 -13.849 -7.862 640 H361 PSR 87 H36A PSR 87 -4.667 -12.647 -4.313 641 H371 PSR 87 H37A PSR 87 -5.444 -15.401 -3.945 642 H372 PSR 87 H37B PSR 87 -4.686 -14.363 -2.746 643 H381 PSR 87 H38A PSR 87 -7.592 -14.228 -3.636 644 H382 PSR 87 H38B PSR 87 -6.965 -15.106 -2.246 645 H411 PSR 87 H41A PSR 87 -5.145 -12.494 -2.238 646 H421 PSR 87 H42A PSR 87 -6.319 -10.206 -1.467 647 H422 PSR 87 H42B PSR 87 -6.683 -11.286 -0.161 648 H431 PSR 87 H43A PSR 87 -4.229 -11.910 -0.163 649 H432 PSR 87 H43B PSR 87 -4.910 -10.544 0.714 650 HC21 PSR 87 H2A PSR 87 -1.775 -9.055 -2.779 651 HC22 PSR 87 H2B PSR 87 -2.664 -9.553 -4.201 652 HC31 PSR 87 H3A PSR 87 -1.316 -11.570 -4.382 653 HC32 PSR 87 H3B PSR 87 -0.414 -11.095 -2.929 654 HC41 PSR 87 H4C PSR 87 0.786 -10.480 -4.966 655 HC42 PSR 87 H4A PSR 87 0.290 -9.047 -4.068 656 HC43 PSR 87 H4B PSR 87 -0.606 -9.540 -5.504 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 21.016 7.759 1.056 2 H2 MET 1 HT2 MET 1 21.376 8.533 -0.376 3 H3 MET 1 HT3 MET 1 20.409 7.124 -0.378 4 HA MET 1 HA MET 1 19.711 9.737 0.815 5 HB2 MET 1 HB2 MET 1 18.694 8.361 -1.670 6 HB3 MET 1 HB1 MET 1 17.860 9.699 -0.903 7 HG2 MET 1 HG2 MET 1 20.650 9.787 -2.001 8 HG3 MET 1 HG1 MET 1 19.208 10.380 -2.827 9 HE1 MET 1 HE1 MET 1 20.427 12.708 -3.153 10 HE2 MET 1 HE2 MET 1 21.839 12.094 -2.296 11 HE3 MET 1 HE3 MET 1 21.127 13.639 -1.830 12 H ALA 2 HN ALA 2 18.397 6.544 -0.142 13 HA ALA 2 HA ALA 2 16.682 5.352 0.575 14 HB1 ALA 2 HB1 ALA 2 17.300 6.525 3.301 15 HB2 ALA 2 HB2 ALA 2 18.062 5.087 2.619 16 HB3 ALA 2 HB3 ALA 2 16.336 5.081 2.996 17 H THR 3 HN THR 3 15.416 6.673 -0.742 18 HA THR 3 HA THR 3 13.879 8.838 0.380 19 HB THR 3 HB THR 3 12.799 8.656 -1.939 20 HG1 THR 3 HG1 THR 3 13.532 6.411 -2.131 21 HG21 THR 3 HG21 THR 3 15.802 9.033 -1.765 22 HG22 THR 3 HG22 THR 3 14.590 10.269 -1.424 23 HG23 THR 3 HG23 THR 3 14.765 9.634 -3.059 24 H LEU 4 HN LEU 4 12.303 8.241 1.784 25 HA LEU 4 HA LEU 4 10.959 5.696 1.352 26 HB2 LEU 4 HB2 LEU 4 10.936 7.486 3.770 27 HB3 LEU 4 HB1 LEU 4 10.211 5.894 3.651 28 HG LEU 4 HG LEU 4 13.148 6.558 3.626 29 HD11 LEU 4 HD11 LEU 4 11.445 5.013 5.562 30 HD12 LEU 4 HD12 LEU 4 12.136 6.618 5.812 31 HD13 LEU 4 HD13 LEU 4 13.195 5.217 5.653 32 HD21 LEU 4 HD21 LEU 4 12.714 4.747 2.047 33 HD22 LEU 4 HD22 LEU 4 11.812 3.872 3.283 34 HD23 LEU 4 HD23 LEU 4 13.544 4.145 3.482 35 H LEU 5 HN LEU 5 8.667 5.658 1.988 36 HA LEU 5 HA LEU 5 7.277 7.797 0.587 37 HB2 LEU 5 HB2 LEU 5 6.360 5.081 1.490 38 HB3 LEU 5 HB1 LEU 5 5.431 6.215 0.527 39 HG LEU 5 HG LEU 5 7.936 4.778 -0.317 40 HD11 LEU 5 HD11 LEU 5 6.439 3.627 -1.871 41 HD12 LEU 5 HD12 LEU 5 5.062 4.478 -1.171 42 HD13 LEU 5 HD13 LEU 5 5.986 3.337 -0.192 43 HD21 LEU 5 HD21 LEU 5 6.159 6.680 -1.829 44 HD22 LEU 5 HD22 LEU 5 7.498 5.759 -2.516 45 HD23 LEU 5 HD23 LEU 5 7.810 7.002 -1.299 46 H THR 6 HN THR 6 5.961 9.114 1.644 47 HA THR 6 HA THR 6 5.533 8.626 4.480 48 HB THR 6 HB THR 6 4.703 10.985 4.517 49 HG1 THR 6 HG1 THR 6 5.498 10.958 1.745 50 HG21 THR 6 HG21 THR 6 7.069 10.528 4.999 51 HG22 THR 6 HG22 THR 6 6.890 12.070 4.158 52 HG23 THR 6 HG23 THR 6 7.447 10.643 3.280 53 H THR 7 HN THR 7 3.210 9.715 5.030 54 HA THR 7 HA THR 7 1.213 8.010 4.168 55 HB THR 7 HB THR 7 0.847 10.862 5.140 56 HG1 THR 7 HG1 THR 7 2.173 9.467 6.533 57 HG21 THR 7 HG21 THR 7 -1.202 9.833 4.241 58 HG22 THR 7 HG22 THR 7 -1.306 10.035 5.989 59 HG23 THR 7 HG23 THR 7 -0.975 8.443 5.304 60 H ASP 8 HN ASP 8 1.997 11.309 3.041 61 HA ASP 8 HA ASP 8 -0.029 11.545 1.126 62 HB2 ASP 8 HB2 ASP 8 2.710 12.838 1.114 63 HB3 ASP 8 HB1 ASP 8 1.381 13.294 0.059 64 H ASP 9 HN ASP 9 3.138 10.106 0.885 65 HA ASP 9 HA ASP 9 3.133 9.715 -1.952 66 HB2 ASP 9 HB2 ASP 9 4.643 8.221 0.204 67 HB3 ASP 9 HB1 ASP 9 4.853 7.927 -1.509 68 H LEU 10 HN LEU 10 2.437 7.605 0.768 69 HA LEU 10 HA LEU 10 1.742 5.308 -0.706 70 HB2 LEU 10 HB2 LEU 10 2.396 5.347 1.659 71 HB3 LEU 10 HB1 LEU 10 0.908 6.174 2.054 72 HG LEU 10 HG LEU 10 -0.323 4.150 1.198 73 HD11 LEU 10 HD11 LEU 10 0.903 2.049 1.073 74 HD12 LEU 10 HD12 LEU 10 2.422 2.924 1.266 75 HD13 LEU 10 HD13 LEU 10 1.429 3.187 -0.168 76 HD21 LEU 10 HD21 LEU 10 1.535 3.779 3.540 77 HD22 LEU 10 HD22 LEU 10 0.064 2.853 3.231 78 HD23 LEU 10 HD23 LEU 10 -0.036 4.581 3.570 79 H ARG 11 HN ARG 11 -0.089 8.019 0.546 80 HA ARG 11 HA ARG 11 -2.707 7.206 0.300 81 HB2 ARG 11 HB2 ARG 11 -1.698 9.420 1.192 82 HB3 ARG 11 HB1 ARG 11 -1.839 9.977 -0.467 83 HG2 ARG 11 HG2 ARG 11 -4.255 9.530 -0.393 84 HG3 ARG 11 HG1 ARG 11 -4.088 9.043 1.296 85 HD2 ARG 11 HD2 ARG 11 -4.806 11.290 1.351 86 HD3 ARG 11 HD1 ARG 11 -3.076 11.329 1.705 87 HE ARG 11 HE ARG 11 -3.612 11.597 -1.069 88 HH11 ARG 11 HH11 ARG 11 -3.248 13.484 1.923 89 HH12 ARG 11 HH12 ARG 11 -3.255 14.971 1.087 90 HH21 ARG 11 HH21 ARG 11 -3.633 13.562 -2.119 91 HH22 ARG 11 HH22 ARG 11 -3.507 15.046 -1.284 92 H ARG 12 HN ARG 12 -0.532 8.502 -2.109 93 HA ARG 12 HA ARG 12 -2.295 8.870 -4.236 94 HB2 ARG 12 HB2 ARG 12 0.613 8.076 -4.285 95 HB3 ARG 12 HB1 ARG 12 -0.307 8.571 -5.703 96 HG2 ARG 12 HG2 ARG 12 -0.702 10.741 -4.702 97 HG3 ARG 12 HG1 ARG 12 0.163 10.189 -3.257 98 HD2 ARG 12 HD2 ARG 12 2.224 10.048 -4.444 99 HD3 ARG 12 HD1 ARG 12 1.415 10.312 -5.992 100 HE ARG 12 HE ARG 12 0.796 12.518 -5.105 101 HH11 ARG 12 HH11 ARG 12 3.855 10.944 -4.100 102 HH12 ARG 12 HH12 ARG 12 4.555 12.412 -3.600 103 HH21 ARG 12 HH21 ARG 12 1.891 14.506 -4.404 104 HH22 ARG 12 HH22 ARG 12 3.493 14.401 -3.781 105 H ALA 13 HN ALA 13 -0.418 6.075 -3.332 106 HA ALA 13 HA ALA 13 -1.199 4.427 -5.519 107 HB1 ALA 13 HB1 ALA 13 -0.256 2.589 -4.264 108 HB2 ALA 13 HB2 ALA 13 -0.215 3.590 -2.810 109 HB3 ALA 13 HB3 ALA 13 0.799 4.001 -4.196 110 H LEU 14 HN LEU 14 -2.413 4.743 -2.238 111 HA LEU 14 HA LEU 14 -4.305 2.665 -2.459 112 HB2 LEU 14 HB2 LEU 14 -3.929 4.919 -0.539 113 HB3 LEU 14 HB1 LEU 14 -5.436 4.038 -0.518 114 HG LEU 14 HG LEU 14 -4.002 3.176 1.191 115 HD11 LEU 14 HD11 LEU 14 -3.871 0.813 0.596 116 HD12 LEU 14 HD12 LEU 14 -4.167 1.236 -1.091 117 HD13 LEU 14 HD13 LEU 14 -5.401 1.554 0.126 118 HD21 LEU 14 HD21 LEU 14 -1.972 2.629 -0.965 119 HD22 LEU 14 HD22 LEU 14 -1.845 2.124 0.722 120 HD23 LEU 14 HD23 LEU 14 -1.835 3.839 0.311 121 H VAL 15 HN VAL 15 -4.671 6.179 -2.813 122 HA VAL 15 HA VAL 15 -7.363 5.987 -3.578 123 HB VAL 15 HB VAL 15 -5.334 8.211 -4.094 124 HG11 VAL 15 HG11 VAL 15 -7.245 9.653 -4.567 125 HG12 VAL 15 HG12 VAL 15 -8.338 8.276 -4.416 126 HG13 VAL 15 HG13 VAL 15 -7.175 8.336 -5.738 127 HG21 VAL 15 HG21 VAL 15 -6.485 9.304 -2.265 128 HG22 VAL 15 HG22 VAL 15 -5.799 7.757 -1.770 129 HG23 VAL 15 HG23 VAL 15 -7.532 7.898 -2.074 130 H GLU 16 HN GLU 16 -4.400 5.802 -5.416 131 HA GLU 16 HA GLU 16 -5.230 5.888 -8.066 132 HB2 GLU 16 HB2 GLU 16 -2.898 5.919 -7.322 133 HB3 GLU 16 HB1 GLU 16 -3.034 4.262 -6.782 134 HG2 GLU 16 HG2 GLU 16 -1.793 4.392 -8.838 135 HG3 GLU 16 HG1 GLU 16 -3.310 3.540 -9.099 136 H SER 17 HN SER 17 -5.226 3.126 -5.835 137 HA SER 17 HA SER 17 -5.846 1.248 -7.907 138 HB2 SER 17 HB2 SER 17 -5.997 0.832 -4.912 139 HB3 SER 17 HB1 SER 17 -5.817 -0.426 -6.141 140 HG SER 17 HG SER 17 -3.945 1.635 -5.560 141 H ALA 18 HN ALA 18 -7.673 3.427 -6.103 142 HA ALA 18 HA ALA 18 -10.140 1.921 -6.472 143 HB1 ALA 18 HB1 ALA 18 -9.648 4.612 -5.166 144 HB2 ALA 18 HB2 ALA 18 -9.845 3.078 -4.319 145 HB3 ALA 18 HB3 ALA 18 -11.196 3.769 -5.223 146 H GLY 19 HN GLY 19 -8.747 5.114 -7.193 147 HA2 GLY 19 HA2 GLY 19 -8.956 6.502 -8.974 148 HA3 GLY 19 HA1 GLY 19 -9.438 5.092 -9.908 149 H GLU 20 HN GLU 20 -11.125 6.484 -7.078 150 HA GLU 20 HA GLU 20 -13.440 6.706 -8.827 151 HB2 GLU 20 HB2 GLU 20 -13.388 5.240 -6.717 152 HB3 GLU 20 HB1 GLU 20 -13.435 6.742 -5.814 153 HG2 GLU 20 HG2 GLU 20 -15.566 7.323 -6.761 154 HG3 GLU 20 HG1 GLU 20 -15.522 5.909 -7.815 155 H THR 21 HN THR 21 -11.055 8.551 -8.025 156 HA THR 21 HA THR 21 -10.605 10.724 -8.097 157 HB THR 21 HB THR 21 -13.532 11.240 -8.728 158 HG1 THR 21 HG1 THR 21 -12.120 9.641 -9.966 159 HG21 THR 21 HG21 THR 21 -11.000 12.733 -9.498 160 HG22 THR 21 HG22 THR 21 -12.101 13.189 -8.207 161 HG23 THR 21 HG23 THR 21 -12.664 13.220 -9.887 162 H ASP 22 HN ASP 22 -10.990 9.599 -5.674 163 HA ASP 22 HA ASP 22 -10.975 10.133 -3.517 164 HB2 ASP 22 HB2 ASP 22 -11.181 13.006 -4.476 165 HB3 ASP 22 HB1 ASP 22 -10.907 12.532 -2.812 166 H GLY 23 HN GLY 23 -12.178 11.339 -1.840 167 HA2 GLY 23 HA2 GLY 23 -14.520 12.438 -1.627 168 HA3 GLY 23 HA1 GLY 23 -15.027 10.888 -2.298 169 H THR 24 HN THR 24 -15.682 9.506 -0.826 170 HA THR 24 HA THR 24 -14.334 9.587 1.748 171 HB THR 24 HB THR 24 -16.591 8.328 2.390 172 HG1 THR 24 HG1 THR 24 -17.399 10.166 0.388 173 HG21 THR 24 HG21 THR 24 -17.478 10.480 3.151 174 HG22 THR 24 HG22 THR 24 -16.345 11.323 2.093 175 HG23 THR 24 HG23 THR 24 -15.746 10.368 3.449 176 H ASP 25 HN ASP 25 -13.607 8.174 -0.665 177 HA ASP 25 HA ASP 25 -14.034 5.415 -0.086 178 HB2 ASP 25 HB2 ASP 25 -12.168 5.055 -1.894 179 HB3 ASP 25 HB1 ASP 25 -13.668 5.773 -2.443 180 H LEU 26 HN LEU 26 -10.783 6.622 -0.510 181 HA LEU 26 HA LEU 26 -10.206 6.177 2.300 182 HB2 LEU 26 HB2 LEU 26 -8.399 4.641 1.956 183 HB3 LEU 26 HB1 LEU 26 -9.842 3.966 1.247 184 HG LEU 26 HG LEU 26 -7.605 5.255 -0.328 185 HD11 LEU 26 HD11 LEU 26 -6.908 3.313 0.892 186 HD12 LEU 26 HD12 LEU 26 -6.975 2.973 -0.842 187 HD13 LEU 26 HD13 LEU 26 -8.250 2.381 0.231 188 HD21 LEU 26 HD21 LEU 26 -9.930 3.521 -1.206 189 HD22 LEU 26 HD22 LEU 26 -8.614 4.079 -2.236 190 HD23 LEU 26 HD23 LEU 26 -9.744 5.244 -1.553 191 H SER 27 HN SER 27 -10.343 8.174 0.240 192 HA SER 27 HA SER 27 -7.690 9.194 -0.046 193 HB2 SER 27 HB2 SER 27 -9.163 11.112 -1.079 194 HB3 SER 27 HB1 SER 27 -8.925 9.598 -1.952 195 HG SER 27 HG SER 27 -10.883 8.997 -1.569 196 H GLY 28 HN GLY 28 -6.828 10.400 1.394 197 HA2 GLY 28 HA2 GLY 28 -6.886 12.353 2.851 198 HA3 GLY 28 HA1 GLY 28 -8.563 11.955 3.216 199 H ASP 29 HN ASP 29 -8.986 10.028 4.552 200 HA ASP 29 HA ASP 29 -6.619 9.333 6.153 201 HB2 ASP 29 HB2 ASP 29 -8.308 10.762 7.398 202 HB3 ASP 29 HB1 ASP 29 -9.432 9.410 7.254 203 H PHE 30 HN PHE 30 -6.128 7.361 6.251 204 HA PHE 30 HA PHE 30 -7.982 5.136 5.921 205 HB2 PHE 30 HB2 PHE 30 -7.139 4.320 3.741 206 HB3 PHE 30 HB1 PHE 30 -7.586 5.979 3.554 207 HD1 PHE 30 HD2 PHE 30 -5.797 7.787 3.679 208 HD2 PHE 30 HD1 PHE 30 -4.904 3.652 3.273 209 HE1 PHE 30 HE2 PHE 30 -3.540 8.351 2.911 210 HE2 PHE 30 HE1 PHE 30 -2.642 4.219 2.509 211 HZ PHE 30 HZ PHE 30 -1.958 6.567 2.330 212 H LEU 31 HN LEU 31 -4.839 6.478 6.562 213 HA LEU 31 HA LEU 31 -3.043 4.460 6.232 214 HB2 LEU 31 HB2 LEU 31 -2.531 6.818 6.622 215 HB3 LEU 31 HB1 LEU 31 -2.955 6.624 8.309 216 HG LEU 31 HG LEU 31 -1.106 4.940 8.490 217 HD11 LEU 31 HD11 LEU 31 0.631 4.957 6.770 218 HD12 LEU 31 HD12 LEU 31 -0.380 5.987 5.761 219 HD13 LEU 31 HD13 LEU 31 -0.902 4.349 6.152 220 HD21 LEU 31 HD21 LEU 31 -0.338 7.733 7.655 221 HD22 LEU 31 HD22 LEU 31 0.672 6.619 8.576 222 HD23 LEU 31 HD23 LEU 31 -0.831 7.230 9.273 223 H ASP 32 HN ASP 32 -5.041 4.992 9.118 224 HA ASP 32 HA ASP 32 -3.558 2.806 10.364 225 HB2 ASP 32 HB2 ASP 32 -5.131 5.038 11.601 226 HB3 ASP 32 HB1 ASP 32 -4.697 3.596 12.513 227 H LEU 33 HN LEU 33 -6.188 3.034 8.613 228 HA LEU 33 HA LEU 33 -7.875 1.341 10.265 229 HB2 LEU 33 HB2 LEU 33 -8.157 2.300 7.420 230 HB3 LEU 33 HB1 LEU 33 -9.320 1.271 8.230 231 HG LEU 33 HG LEU 33 -8.619 4.084 9.077 232 HD11 LEU 33 HD11 LEU 33 -11.027 2.998 7.623 233 HD12 LEU 33 HD12 LEU 33 -9.775 4.022 6.924 234 HD13 LEU 33 HD13 LEU 33 -10.823 4.654 8.195 235 HD21 LEU 33 HD21 LEU 33 -9.350 2.654 10.925 236 HD22 LEU 33 HD22 LEU 33 -10.782 2.190 10.001 237 HD23 LEU 33 HD23 LEU 33 -10.576 3.859 10.526 238 H ARG 34 HN ARG 34 -8.431 -0.816 9.601 239 HA ARG 34 HA ARG 34 -6.269 -2.293 8.421 240 HB2 ARG 34 HB2 ARG 34 -8.503 -2.813 10.043 241 HB3 ARG 34 HB1 ARG 34 -8.909 -3.574 8.518 242 HG2 ARG 34 HG2 ARG 34 -6.346 -4.113 9.982 243 HG3 ARG 34 HG1 ARG 34 -7.824 -5.016 10.272 244 HD2 ARG 34 HD2 ARG 34 -7.837 -5.804 7.993 245 HD3 ARG 34 HD1 ARG 34 -6.449 -4.781 7.601 246 HE ARG 34 HE ARG 34 -5.425 -6.179 9.564 247 HH11 ARG 34 HH11 ARG 34 -7.592 -7.581 7.138 248 HH12 ARG 34 HH12 ARG 34 -6.652 -8.983 6.921 249 HH21 ARG 34 HH21 ARG 34 -4.228 -8.094 9.344 250 HH22 ARG 34 HH22 ARG 34 -4.742 -9.324 8.287 251 H PHE 35 HN PHE 35 -6.223 -2.978 6.226 252 HA PHE 35 HA PHE 35 -7.296 -1.401 4.244 253 HB2 PHE 35 HB2 PHE 35 -6.600 -4.334 4.016 254 HB3 PHE 35 HB1 PHE 35 -6.947 -3.304 2.637 255 HD1 PHE 35 HD2 PHE 35 -5.459 -1.213 2.371 256 HD2 PHE 35 HD1 PHE 35 -4.443 -4.543 4.796 257 HE1 PHE 35 HE2 PHE 35 -3.100 -0.562 2.256 258 HE2 PHE 35 HE1 PHE 35 -2.076 -3.898 4.683 259 HZ PHE 35 HZ PHE 35 -1.403 -1.908 3.413 260 H GLU 36 HN GLU 36 -8.781 -4.227 5.593 261 HA GLU 36 HA GLU 36 -10.925 -4.527 3.862 262 HB2 GLU 36 HB2 GLU 36 -10.792 -5.110 6.811 263 HB3 GLU 36 HB1 GLU 36 -11.955 -5.793 5.674 264 HG2 GLU 36 HG2 GLU 36 -10.185 -6.876 4.446 265 HG3 GLU 36 HG1 GLU 36 -8.972 -6.125 5.480 266 H ASP 37 HN ASP 37 -10.493 -2.126 6.421 267 HA ASP 37 HA ASP 37 -13.291 -1.370 6.417 268 HB2 ASP 37 HB2 ASP 37 -10.918 -0.208 7.889 269 HB3 ASP 37 HB1 ASP 37 -12.556 0.406 8.014 270 H ILE 38 HN ILE 38 -10.608 -0.673 4.512 271 HA ILE 38 HA ILE 38 -11.627 2.021 3.950 272 HB ILE 38 HB ILE 38 -9.553 2.482 2.693 273 HG12 ILE 38 HG12 ILE 38 -8.764 -0.339 3.465 274 HG13 ILE 38 HG11 ILE 38 -9.111 0.227 1.845 275 HG21 ILE 38 HG21 ILE 38 -9.005 1.347 5.429 276 HG22 ILE 38 HG22 ILE 38 -9.557 2.981 5.062 277 HG23 ILE 38 HG23 ILE 38 -7.954 2.458 4.551 278 HD11 ILE 38 HD11 ILE 38 -7.111 1.667 1.964 279 HD12 ILE 38 HD12 ILE 38 -6.784 -0.053 2.131 280 HD13 ILE 38 HD13 ILE 38 -6.757 0.984 3.563 281 H GLY 39 HN GLY 39 -12.724 -0.615 3.173 282 HA2 GLY 39 HA2 GLY 39 -14.044 -1.296 1.422 283 HA3 GLY 39 HA1 GLY 39 -13.490 0.102 0.512 284 H TYR 40 HN TYR 40 -11.011 -1.869 1.852 285 HA TYR 40 HA TYR 40 -10.470 -2.710 -0.831 286 HB2 TYR 40 HB2 TYR 40 -8.709 -1.981 1.420 287 HB3 TYR 40 HB1 TYR 40 -8.131 -3.238 0.320 288 HD1 TYR 40 HD2 TYR 40 -10.196 -0.213 -0.306 289 HD2 TYR 40 HD1 TYR 40 -6.552 -2.238 -1.068 290 HE1 TYR 40 HE2 TYR 40 -9.527 1.567 -1.847 291 HE2 TYR 40 HE1 TYR 40 -5.868 -0.459 -2.597 292 HH TYR 40 HH TYR 40 -7.106 1.380 -4.008 293 H ASP 41 HN ASP 41 -10.901 -4.447 -1.475 294 HA ASP 41 HA ASP 41 -11.619 -6.569 0.323 295 HB2 ASP 41 HB2 ASP 41 -12.589 -7.591 -1.762 296 HB3 ASP 41 HB1 ASP 41 -13.297 -6.063 -1.261 297 H SER 42 HN SER 42 -9.606 -6.133 -2.523 298 HA SER 42 HA SER 42 -7.535 -7.931 -1.738 299 HB2 SER 42 HB2 SER 42 -8.159 -9.805 -3.279 300 HB3 SER 42 HB1 SER 42 -9.279 -9.618 -1.914 301 H LEU 43 HN LEU 43 -9.452 -7.293 -4.628 302 HA LEU 43 HA LEU 43 -7.433 -7.374 -6.558 303 HB2 LEU 43 HB2 LEU 43 -9.949 -7.424 -6.928 304 HB3 LEU 43 HB1 LEU 43 -9.944 -5.692 -6.735 305 HG LEU 43 HG LEU 43 -10.123 -6.399 -9.090 306 HD11 LEU 43 HD11 LEU 43 -7.540 -4.925 -8.563 307 HD12 LEU 43 HD12 LEU 43 -9.142 -4.214 -8.693 308 HD13 LEU 43 HD13 LEU 43 -8.406 -4.980 -10.097 309 HD21 LEU 43 HD21 LEU 43 -8.208 -7.405 -10.240 310 HD22 LEU 43 HD22 LEU 43 -8.869 -8.460 -8.991 311 HD23 LEU 43 HD23 LEU 43 -7.377 -7.565 -8.693 312 H ALA 44 HN ALA 44 -8.966 -4.487 -5.237 313 HA ALA 44 HA ALA 44 -7.142 -2.701 -6.376 314 HB1 ALA 44 HB1 ALA 44 -8.885 -2.368 -3.946 315 HB2 ALA 44 HB2 ALA 44 -9.346 -2.039 -5.616 316 HB3 ALA 44 HB3 ALA 44 -8.098 -1.063 -4.835 317 H LEU 45 HN LEU 45 -7.065 -4.500 -3.403 318 HA LEU 45 HA LEU 45 -5.069 -2.975 -2.117 319 HB2 LEU 45 HB2 LEU 45 -6.606 -4.389 -0.862 320 HB3 LEU 45 HB1 LEU 45 -6.003 -5.820 -1.648 321 HG LEU 45 HG LEU 45 -5.371 -5.257 0.817 322 HD11 LEU 45 HD11 LEU 45 -3.172 -6.376 0.550 323 HD12 LEU 45 HD12 LEU 45 -3.241 -6.080 -1.183 324 HD13 LEU 45 HD13 LEU 45 -4.413 -7.167 -0.426 325 HD21 LEU 45 HD21 LEU 45 -3.270 -4.064 1.038 326 HD22 LEU 45 HD22 LEU 45 -4.575 -3.029 0.431 327 HD23 LEU 45 HD23 LEU 45 -3.341 -3.662 -0.681 328 H MET 46 HN MET 46 -4.863 -5.876 -4.094 329 HA MET 46 HA MET 46 -2.020 -6.090 -3.875 330 HB2 MET 46 HB2 MET 46 -2.150 -7.749 -5.620 331 HB3 MET 46 HB1 MET 46 -3.517 -7.983 -4.550 332 HG2 MET 46 HG2 MET 46 -4.565 -8.191 -6.577 333 HG3 MET 46 HG1 MET 46 -4.709 -6.448 -6.255 334 HE1 MET 46 HE1 MET 46 -4.239 -6.570 -10.176 335 HE2 MET 46 HE2 MET 46 -5.289 -6.046 -8.862 336 HE3 MET 46 HE3 MET 46 -5.084 -7.765 -9.193 337 H GLU 47 HN GLU 47 -4.206 -4.333 -5.883 338 HA GLU 47 HA GLU 47 -2.517 -3.676 -8.031 339 HB2 GLU 47 HB2 GLU 47 -5.018 -3.588 -7.980 340 HB3 GLU 47 HB1 GLU 47 -4.923 -2.196 -6.929 341 HG2 GLU 47 HG2 GLU 47 -5.410 -1.549 -9.195 342 HG3 GLU 47 HG1 GLU 47 -3.830 -0.940 -8.715 343 H THR 48 HN THR 48 -3.232 -2.206 -4.922 344 HA THR 48 HA THR 48 -1.887 0.216 -5.126 345 HB THR 48 HB THR 48 -2.174 -1.603 -2.719 346 HG1 THR 48 HG1 THR 48 -3.955 -0.230 -4.204 347 HG21 THR 48 HG21 THR 48 -0.584 0.227 -2.361 348 HG22 THR 48 HG22 THR 48 -2.060 0.483 -1.429 349 HG23 THR 48 HG23 THR 48 -1.788 1.387 -2.918 350 H ALA 49 HN ALA 49 -0.780 -2.870 -3.766 351 HA ALA 49 HA ALA 49 1.841 -2.109 -3.205 352 HB1 ALA 49 HB1 ALA 49 0.820 -4.846 -3.881 353 HB2 ALA 49 HB2 ALA 49 0.846 -4.119 -2.258 354 HB3 ALA 49 HB3 ALA 49 2.359 -4.461 -3.122 355 H ALA 50 HN ALA 50 0.546 -3.835 -6.028 356 HA ALA 50 HA ALA 50 3.015 -4.221 -7.297 357 HB1 ALA 50 HB1 ALA 50 0.306 -4.029 -8.604 358 HB2 ALA 50 HB2 ALA 50 0.990 -5.479 -7.867 359 HB3 ALA 50 HB3 ALA 50 1.754 -4.769 -9.288 360 H ARG 51 HN ARG 51 0.782 -1.523 -7.430 361 HA ARG 51 HA ARG 51 1.899 -0.122 -9.597 362 HB2 ARG 51 HB2 ARG 51 -0.284 0.361 -8.418 363 HB3 ARG 51 HB1 ARG 51 0.642 1.043 -7.095 364 HG2 ARG 51 HG2 ARG 51 -0.212 2.812 -8.476 365 HG3 ARG 51 HG1 ARG 51 1.543 2.740 -8.659 366 HD2 ARG 51 HD2 ARG 51 1.335 1.587 -10.750 367 HD3 ARG 51 HD1 ARG 51 -0.407 1.435 -10.542 368 HE ARG 51 HE ARG 51 0.407 4.147 -10.503 369 HH11 ARG 51 HH11 ARG 51 -0.040 1.436 -12.716 370 HH12 ARG 51 HH12 ARG 51 -0.546 2.376 -14.039 371 HH21 ARG 51 HH21 ARG 51 -0.288 5.506 -12.348 372 HH22 ARG 51 HH22 ARG 51 -0.678 4.745 -13.827 373 H LEU 52 HN LEU 52 2.494 0.032 -6.115 374 HA LEU 52 HA LEU 52 4.597 1.923 -6.276 375 HB2 LEU 52 HB2 LEU 52 3.878 0.017 -4.058 376 HB3 LEU 52 HB1 LEU 52 5.041 1.324 -3.926 377 HG LEU 52 HG LEU 52 2.083 1.623 -4.432 378 HD11 LEU 52 HD11 LEU 52 2.047 2.670 -2.230 379 HD12 LEU 52 HD12 LEU 52 3.761 2.297 -2.030 380 HD13 LEU 52 HD13 LEU 52 2.583 0.993 -2.153 381 HD21 LEU 52 HD21 LEU 52 2.461 4.021 -4.242 382 HD22 LEU 52 HD22 LEU 52 3.375 3.352 -5.597 383 HD23 LEU 52 HD23 LEU 52 4.195 3.752 -4.087 384 H GLU 53 HN GLU 53 4.529 -1.591 -6.071 385 HA GLU 53 HA GLU 53 7.234 -2.110 -5.791 386 HB2 GLU 53 HB2 GLU 53 5.181 -3.663 -7.356 387 HB3 GLU 53 HB1 GLU 53 6.793 -4.249 -6.993 388 HG2 GLU 53 HG2 GLU 53 6.231 -4.081 -4.571 389 HG3 GLU 53 HG1 GLU 53 4.599 -3.630 -5.052 390 H SER 54 HN SER 54 5.339 -1.726 -8.682 391 HA SER 54 HA SER 54 7.376 -2.095 -10.563 392 HB2 SER 54 HB2 SER 54 4.999 -2.187 -11.143 393 HB3 SER 54 HB1 SER 54 4.826 -0.475 -10.777 394 HG SER 54 HG SER 54 6.793 -1.076 -12.644 395 H ARG 55 HN ARG 55 6.129 0.912 -9.112 396 HA ARG 55 HA ARG 55 7.728 2.614 -10.684 397 HB2 ARG 55 HB2 ARG 55 5.702 3.421 -9.615 398 HB3 ARG 55 HB1 ARG 55 6.412 3.171 -8.027 399 HG2 ARG 55 HG2 ARG 55 8.126 4.847 -8.532 400 HG3 ARG 55 HG1 ARG 55 7.390 5.117 -10.110 401 HD2 ARG 55 HD2 ARG 55 5.353 5.891 -9.053 402 HD3 ARG 55 HD1 ARG 55 6.023 5.535 -7.457 403 HE ARG 55 HE ARG 55 7.597 7.330 -9.063 404 HH11 ARG 55 HH11 ARG 55 5.268 7.032 -6.422 405 HH12 ARG 55 HH12 ARG 55 5.325 8.665 -5.973 406 HH21 ARG 55 HH21 ARG 55 7.687 9.625 -8.453 407 HH22 ARG 55 HH22 ARG 55 6.701 10.172 -7.181 408 H TYR 56 HN TYR 56 8.351 1.195 -7.492 409 HA TYR 56 HA TYR 56 10.784 2.837 -7.365 410 HB2 TYR 56 HB2 TYR 56 9.631 1.150 -5.154 411 HB3 TYR 56 HB1 TYR 56 10.872 2.393 -5.022 412 HD1 TYR 56 HD2 TYR 56 10.028 4.706 -6.159 413 HD2 TYR 56 HD1 TYR 56 7.557 1.778 -4.349 414 HE1 TYR 56 HE2 TYR 56 8.359 6.418 -5.698 415 HE2 TYR 56 HE1 TYR 56 5.863 3.492 -3.878 416 HH TYR 56 HH TYR 56 5.944 6.560 -5.278 417 H GLY 57 HN GLY 57 9.938 -0.197 -8.338 418 HA2 GLY 57 HA2 GLY 57 11.297 -1.910 -9.050 419 HA3 GLY 57 HA1 GLY 57 12.687 -1.000 -8.470 420 H VAL 58 HN VAL 58 9.828 -2.228 -6.790 421 HA VAL 58 HA VAL 58 11.678 -3.772 -5.148 422 HB VAL 58 HB VAL 58 10.225 -3.523 -3.168 423 HG11 VAL 58 HG11 VAL 58 10.700 -1.189 -2.632 424 HG12 VAL 58 HG12 VAL 58 11.044 -0.879 -4.336 425 HG13 VAL 58 HG13 VAL 58 12.066 -1.985 -3.417 426 HG21 VAL 58 HG21 VAL 58 8.078 -3.153 -4.263 427 HG22 VAL 58 HG22 VAL 58 8.632 -1.583 -4.845 428 HG23 VAL 58 HG23 VAL 58 8.419 -1.858 -3.116 429 H SER 59 HN SER 59 10.378 -5.508 -3.877 430 HA SER 59 HA SER 59 8.272 -6.625 -5.537 431 HB2 SER 59 HB2 SER 59 9.445 -8.880 -5.438 432 HB3 SER 59 HB1 SER 59 10.160 -7.683 -6.516 433 HG SER 59 HG SER 59 11.055 -7.895 -3.851 434 H ILE 60 HN ILE 60 6.685 -6.851 -4.230 435 HA ILE 60 HA ILE 60 7.109 -7.666 -1.442 436 HB ILE 60 HB ILE 60 4.628 -6.569 -2.812 437 HG12 ILE 60 HG12 ILE 60 6.406 -5.239 -0.774 438 HG13 ILE 60 HG11 ILE 60 6.471 -4.913 -2.511 439 HG21 ILE 60 HG21 ILE 60 3.678 -6.401 -0.544 440 HG22 ILE 60 HG22 ILE 60 5.115 -7.182 0.110 441 HG23 ILE 60 HG23 ILE 60 4.048 -8.069 -0.978 442 HD11 ILE 60 HD11 ILE 60 4.150 -4.144 -2.409 443 HD12 ILE 60 HD12 ILE 60 5.216 -3.218 -1.354 444 HD13 ILE 60 HD13 ILE 60 4.143 -4.438 -0.669 445 HA PRO 61 HA PRO 61 5.791 -11.729 -2.814 446 HB2 PRO 61 HB2 PRO 61 5.410 -11.975 0.136 447 HB3 PRO 61 HB1 PRO 61 6.272 -13.053 -0.978 448 HG2 PRO 61 HG2 PRO 61 7.633 -11.480 0.655 449 HG3 PRO 61 HG1 PRO 61 8.164 -11.684 -1.027 450 HD2 PRO 61 HD2 PRO 61 6.671 -9.407 0.222 451 HD3 PRO 61 HD1 PRO 61 8.004 -9.374 -0.956 452 H ASP 62 HN ASP 62 3.786 -12.213 -3.408 453 HA ASP 62 HA ASP 62 1.444 -10.849 -2.705 454 HB2 ASP 62 HB2 ASP 62 0.182 -12.542 -3.820 455 HB3 ASP 62 HB1 ASP 62 1.682 -12.350 -4.722 456 H ASP 63 HN ASP 63 3.080 -13.396 -1.131 457 HA ASP 63 HA ASP 63 1.038 -14.346 0.599 458 HB2 ASP 63 HB2 ASP 63 3.115 -15.585 0.313 459 HB3 ASP 63 HB1 ASP 63 4.040 -14.203 0.899 460 H VAL 64 HN VAL 64 3.386 -11.766 0.723 461 HA VAL 64 HA VAL 64 2.841 -11.148 3.419 462 HB VAL 64 HB VAL 64 4.615 -9.723 1.414 463 HG11 VAL 64 HG11 VAL 64 3.853 -8.108 3.101 464 HG12 VAL 64 HG12 VAL 64 5.560 -8.493 3.321 465 HG13 VAL 64 HG13 VAL 64 4.350 -9.208 4.386 466 HG21 VAL 64 HG21 VAL 64 6.420 -10.701 2.741 467 HG22 VAL 64 HG22 VAL 64 5.365 -11.938 2.058 468 HG23 VAL 64 HG23 VAL 64 5.228 -11.505 3.763 469 H ALA 65 HN ALA 65 1.793 -9.907 0.307 470 HA ALA 65 HA ALA 65 0.739 -7.464 1.242 471 HB1 ALA 65 HB1 ALA 65 -0.554 -7.308 -0.754 472 HB2 ALA 65 HB2 ALA 65 -0.324 -9.016 -1.124 473 HB3 ALA 65 HB3 ALA 65 1.056 -7.898 -1.153 474 H GLY 66 HN GLY 66 -0.491 -10.651 1.569 475 HA2 GLY 66 HA2 GLY 66 -2.990 -9.520 2.689 476 HA3 GLY 66 HA1 GLY 66 -2.778 -11.198 2.193 477 H ARG 67 HN ARG 67 -0.080 -10.066 3.700 478 HA ARG 67 HA ARG 67 -0.735 -11.460 6.210 479 HB2 ARG 67 HB2 ARG 67 1.072 -12.330 4.691 480 HB3 ARG 67 HB1 ARG 67 1.896 -10.804 4.925 481 HG2 ARG 67 HG2 ARG 67 2.326 -11.311 7.210 482 HG3 ARG 67 HG1 ARG 67 1.339 -12.780 7.112 483 HD2 ARG 67 HD2 ARG 67 2.822 -13.726 5.470 484 HD3 ARG 67 HD1 ARG 67 3.762 -12.239 5.411 485 HE ARG 67 HE ARG 67 3.923 -12.960 7.992 486 HH11 ARG 67 HH11 ARG 67 4.488 -14.849 4.990 487 HH12 ARG 67 HH12 ARG 67 5.780 -15.724 5.686 488 HH21 ARG 67 HH21 ARG 67 5.642 -14.160 8.857 489 HH22 ARG 67 HH22 ARG 67 6.436 -15.362 7.939 490 H VAL 68 HN VAL 68 -0.430 -8.480 4.846 491 HA VAL 68 HA VAL 68 0.712 -7.052 7.106 492 HB VAL 68 HB VAL 68 0.145 -4.988 5.710 493 HG11 VAL 68 HG11 VAL 68 1.874 -5.355 4.057 494 HG12 VAL 68 HG12 VAL 68 1.810 -7.089 4.355 495 HG13 VAL 68 HG13 VAL 68 2.355 -5.993 5.627 496 HG21 VAL 68 HG21 VAL 68 -0.494 -5.318 3.397 497 HG22 VAL 68 HG22 VAL 68 -1.727 -5.987 4.471 498 HG23 VAL 68 HG23 VAL 68 -0.592 -7.058 3.657 499 H ASP 69 HN ASP 69 -0.829 -4.861 7.289 500 HA ASP 69 HA ASP 69 -3.462 -5.902 8.106 501 HB2 ASP 69 HB2 ASP 69 -1.907 -6.120 10.055 502 HB3 ASP 69 HB1 ASP 69 -1.709 -4.376 10.045 503 H THR 70 HN THR 70 -1.700 -2.861 8.753 504 HA THR 70 HA THR 70 -3.950 -1.392 7.633 505 HB THR 70 HB THR 70 -2.841 0.511 8.838 506 HG1 THR 70 HG1 THR 70 -1.317 -0.483 10.569 507 HG21 THR 70 HG21 THR 70 -4.691 -0.726 9.878 508 HG22 THR 70 HG22 THR 70 -3.508 -0.233 11.095 509 HG23 THR 70 HG23 THR 70 -3.541 -1.900 10.516 510 HA PRO 71 HA PRO 71 -1.405 0.181 4.257 511 HB2 PRO 71 HB2 PRO 71 -2.119 2.882 5.321 512 HB3 PRO 71 HB1 PRO 71 -2.216 2.276 3.662 513 HG2 PRO 71 HG2 PRO 71 -4.416 2.513 5.099 514 HG3 PRO 71 HG1 PRO 71 -4.165 1.083 4.076 515 HD2 PRO 71 HD2 PRO 71 -3.890 1.374 7.033 516 HD3 PRO 71 HD1 PRO 71 -4.548 0.023 6.088 517 H ARG 72 HN ARG 72 -1.198 1.833 7.420 518 HA ARG 72 HA ARG 72 1.379 2.855 7.259 519 HB2 ARG 72 HB2 ARG 72 -0.153 3.296 9.164 520 HB3 ARG 72 HB1 ARG 72 0.095 1.647 9.726 521 HG2 ARG 72 HG2 ARG 72 2.512 2.134 9.959 522 HG3 ARG 72 HG1 ARG 72 2.183 3.807 9.523 523 HD2 ARG 72 HD2 ARG 72 1.084 2.341 11.921 524 HD3 ARG 72 HD1 ARG 72 2.395 3.515 11.936 525 HE ARG 72 HE ARG 72 -0.461 4.078 11.502 526 HH11 ARG 72 HH11 ARG 72 2.842 5.393 11.966 527 HH12 ARG 72 HH12 ARG 72 2.276 6.908 12.469 528 HH21 ARG 72 HH21 ARG 72 -1.180 6.147 12.179 529 HH22 ARG 72 HH22 ARG 72 -0.052 7.354 12.640 530 H GLU 73 HN GLU 73 0.351 -0.370 8.271 531 HA GLU 73 HA GLU 73 2.862 -1.418 8.978 532 HB2 GLU 73 HB2 GLU 73 0.484 -2.290 9.439 533 HB3 GLU 73 HB1 GLU 73 0.548 -2.979 7.829 534 HG2 GLU 73 HG2 GLU 73 1.063 -4.669 9.435 535 HG3 GLU 73 HG1 GLU 73 2.524 -4.289 8.525 536 H LEU 74 HN LEU 74 1.005 -1.490 5.978 537 HA LEU 74 HA LEU 74 2.856 -3.022 4.449 538 HB2 LEU 74 HB2 LEU 74 0.420 -2.842 3.967 539 HB3 LEU 74 HB1 LEU 74 0.626 -1.165 3.556 540 HG LEU 74 HG LEU 74 0.273 -2.785 1.639 541 HD11 LEU 74 HD11 LEU 74 1.891 -1.741 0.138 542 HD12 LEU 74 HD12 LEU 74 2.768 -1.105 1.533 543 HD13 LEU 74 HD13 LEU 74 1.121 -0.566 1.204 544 HD21 LEU 74 HD21 LEU 74 1.684 -4.600 2.422 545 HD22 LEU 74 HD22 LEU 74 3.111 -3.575 2.280 546 HD23 LEU 74 HD23 LEU 74 2.215 -4.044 0.834 547 H LEU 75 HN LEU 75 2.395 0.413 4.945 548 HA LEU 75 HA LEU 75 4.080 1.500 3.031 549 HB2 LEU 75 HB2 LEU 75 2.574 2.805 4.463 550 HB3 LEU 75 HB1 LEU 75 3.569 2.447 5.854 551 HG LEU 75 HG LEU 75 5.415 3.737 4.852 552 HD11 LEU 75 HD11 LEU 75 4.860 3.438 2.511 553 HD12 LEU 75 HD12 LEU 75 4.972 5.152 2.920 554 HD13 LEU 75 HD13 LEU 75 3.391 4.390 2.731 555 HD21 LEU 75 HD21 LEU 75 4.407 5.947 5.155 556 HD22 LEU 75 HD22 LEU 75 3.881 4.816 6.403 557 HD23 LEU 75 HD23 LEU 75 2.802 5.223 5.069 558 H ASP 76 HN ASP 76 4.827 0.572 6.361 559 HA ASP 76 HA ASP 76 7.573 1.140 6.315 560 HB2 ASP 76 HB2 ASP 76 6.450 0.766 8.425 561 HB3 ASP 76 HB1 ASP 76 6.050 -0.886 7.961 562 H LEU 77 HN LEU 77 5.811 -1.676 5.285 563 HA LEU 77 HA LEU 77 7.981 -3.453 4.990 564 HB2 LEU 77 HB2 LEU 77 5.509 -4.042 4.991 565 HB3 LEU 77 HB1 LEU 77 5.404 -3.395 3.379 566 HG LEU 77 HG LEU 77 5.426 -5.869 3.434 567 HD11 LEU 77 HD11 LEU 77 7.826 -4.727 2.049 568 HD12 LEU 77 HD12 LEU 77 6.182 -4.830 1.415 569 HD13 LEU 77 HD13 LEU 77 7.099 -6.302 1.730 570 HD21 LEU 77 HD21 LEU 77 7.479 -7.080 3.991 571 HD22 LEU 77 HD22 LEU 77 6.832 -6.207 5.383 572 HD23 LEU 77 HD23 LEU 77 8.221 -5.566 4.508 573 H ILE 78 HN ILE 78 6.447 -1.155 2.756 574 HA ILE 78 HA ILE 78 8.253 -1.798 0.641 575 HB ILE 78 HB ILE 78 6.390 0.591 0.912 576 HG12 ILE 78 HG12 ILE 78 6.184 -2.035 -0.556 577 HG13 ILE 78 HG11 ILE 78 5.188 -1.489 0.783 578 HG21 ILE 78 HG21 ILE 78 7.944 -0.352 -1.514 579 HG22 ILE 78 HG22 ILE 78 8.257 1.122 -0.597 580 HG23 ILE 78 HG23 ILE 78 6.752 0.948 -1.498 581 HD11 ILE 78 HD11 ILE 78 3.968 -1.357 -1.291 582 HD12 ILE 78 HD12 ILE 78 5.219 -0.363 -2.013 583 HD13 ILE 78 HD13 ILE 78 4.250 0.273 -0.676 584 H ASN 79 HN ASN 79 8.084 0.677 3.107 585 HA ASN 79 HA ASN 79 10.236 2.209 2.181 586 HB2 ASN 79 HB2 ASN 79 9.056 1.910 4.937 587 HB3 ASN 79 HB1 ASN 79 10.451 2.939 4.644 588 HD21 ASN 79 HD21 ASN 79 7.821 3.749 5.541 589 HD22 ASN 79 HD22 ASN 79 7.227 4.846 4.336 590 H GLY 80 HN GLY 80 10.195 -0.623 4.244 591 HA2 GLY 80 HA2 GLY 80 12.961 -0.669 4.802 592 HA3 GLY 80 HA1 GLY 80 11.888 -2.066 4.814 593 H ALA 81 HN ALA 81 11.055 -1.850 2.106 594 HA ALA 81 HA ALA 81 13.210 -3.230 0.833 595 HB1 ALA 81 HB1 ALA 81 11.662 -3.475 -1.053 596 HB2 ALA 81 HB2 ALA 81 10.554 -2.328 -0.302 597 HB3 ALA 81 HB3 ALA 81 10.867 -3.879 0.468 598 H LEU 82 HN LEU 82 11.911 -0.010 0.723 599 HA LEU 82 HA LEU 82 13.111 0.910 -1.636 600 HB2 LEU 82 HB2 LEU 82 12.370 2.427 0.857 601 HB3 LEU 82 HB1 LEU 82 12.876 3.185 -0.638 602 HG LEU 82 HG LEU 82 10.406 1.501 -0.264 603 HD11 LEU 82 HD11 LEU 82 10.747 4.457 -0.698 604 HD12 LEU 82 HD12 LEU 82 10.225 3.670 0.793 605 HD13 LEU 82 HD13 LEU 82 9.211 3.591 -0.648 606 HD21 LEU 82 HD21 LEU 82 11.340 1.241 -2.489 607 HD22 LEU 82 HD22 LEU 82 11.415 2.992 -2.674 608 HD23 LEU 82 HD23 LEU 82 9.851 2.185 -2.537 609 H ALA 83 HN ALA 83 14.445 0.299 1.453 610 HA ALA 83 HA ALA 83 16.726 1.943 1.319 611 HB1 ALA 83 HB1 ALA 83 17.636 0.528 3.076 612 HB2 ALA 83 HB2 ALA 83 16.390 -0.681 2.767 613 HB3 ALA 83 HB3 ALA 83 15.942 0.905 3.396 614 H GLU 84 HN GLU 84 15.924 -0.978 -0.337 615 HA GLU 84 HA GLU 84 18.710 -1.201 -1.253 616 HB2 GLU 84 HB2 GLU 84 18.250 -3.568 -1.711 617 HB3 GLU 84 HB1 GLU 84 18.005 -3.182 -0.013 618 HG2 GLU 84 HG2 GLU 84 15.604 -3.114 -0.356 619 HG3 GLU 84 HG1 GLU 84 15.833 -3.440 -2.071 620 H ALA 85 HN ALA 85 16.149 0.296 -2.174 621 HA ALA 85 HA ALA 85 16.292 -0.546 -4.976 622 HB1 ALA 85 HB1 ALA 85 14.181 -1.343 -4.030 623 HB2 ALA 85 HB2 ALA 85 13.900 -0.055 -5.205 624 HB3 ALA 85 HB3 ALA 85 13.807 0.289 -3.479 625 H ALA 86 HN ALA 86 15.218 1.367 -6.332 626 HA ALA 86 HA ALA 86 16.336 3.823 -5.212 627 HB1 ALA 86 HB1 ALA 86 17.805 2.914 -6.946 628 HB2 ALA 86 HB2 ALA 86 17.073 4.433 -7.465 629 HB3 ALA 86 HB3 ALA 86 16.456 2.899 -8.083 630 H281 PSR 87 H28A PSR 87 -8.786 -10.321 -6.929 631 H282 PSR 87 H28B PSR 87 -8.227 -9.274 -5.625 632 H301 PSR 87 H30A PSR 87 -6.627 -10.296 -7.936 633 H302 PSR 87 H30B PSR 87 -5.170 -10.686 -7.009 634 H303 PSR 87 H30C PSR 87 -6.080 -9.216 -6.650 635 H311 PSR 87 H31A PSR 87 -5.330 -11.398 -4.620 636 H312 PSR 87 H31B PSR 87 -6.898 -11.286 -3.815 637 H313 PSR 87 H31C PSR 87 -6.094 -9.833 -4.377 638 H321 PSR 87 H32A PSR 87 -6.095 -12.990 -6.321 639 H331 PSR 87 H33A PSR 87 -7.901 -13.475 -7.836 640 H361 PSR 87 H36A PSR 87 -7.258 -12.852 -3.963 641 H371 PSR 87 H37A PSR 87 -9.786 -13.722 -3.352 642 H372 PSR 87 H37B PSR 87 -8.942 -15.173 -3.855 643 H381 PSR 87 H38A PSR 87 -8.776 -15.068 -1.524 644 H382 PSR 87 H38B PSR 87 -7.164 -14.703 -2.169 645 H411 PSR 87 H41A PSR 87 -6.288 -13.450 -0.778 646 H421 PSR 87 H42A PSR 87 -7.320 -10.843 -0.102 647 H422 PSR 87 H42B PSR 87 -7.067 -11.950 1.253 648 H431 PSR 87 H43A PSR 87 -4.737 -12.262 0.570 649 H432 PSR 87 H43B PSR 87 -5.092 -10.548 0.861 650 HC21 PSR 87 H2A PSR 87 -1.254 -10.652 -2.085 651 HC22 PSR 87 H2B PSR 87 -2.572 -9.535 -2.452 652 HC31 PSR 87 H3A PSR 87 -3.582 -11.227 -3.921 653 HC32 PSR 87 H3B PSR 87 -2.246 -12.334 -3.541 654 HC41 PSR 87 H4C PSR 87 -0.668 -10.725 -4.467 655 HC42 PSR 87 H4A PSR 87 -1.994 -9.620 -4.825 656 HC43 PSR 87 H4B PSR 87 -1.888 -11.169 -5.665 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 21.408 5.727 -1.013 2 H2 MET 1 HT2 MET 1 21.943 7.257 -1.492 3 H3 MET 1 HT3 MET 1 20.947 6.312 -2.516 4 HA MET 1 HA MET 1 20.145 7.404 0.107 5 HB2 MET 1 HB2 MET 1 19.189 8.090 -2.688 6 HB3 MET 1 HB1 MET 1 18.482 8.689 -1.201 7 HG2 MET 1 HG2 MET 1 20.597 9.843 -0.701 8 HG3 MET 1 HG1 MET 1 21.237 9.284 -2.247 9 HE1 MET 1 HE1 MET 1 20.166 9.997 -4.627 10 HE2 MET 1 HE2 MET 1 18.798 11.099 -4.784 11 HE3 MET 1 HE3 MET 1 18.568 9.501 -4.070 12 H ALA 2 HN ALA 2 18.162 6.705 0.817 13 HA ALA 2 HA ALA 2 16.852 4.644 -0.797 14 HB1 ALA 2 HB1 ALA 2 16.030 3.710 1.327 15 HB2 ALA 2 HB2 ALA 2 16.929 4.943 2.212 16 HB3 ALA 2 HB3 ALA 2 17.792 3.723 1.277 17 H THR 3 HN THR 3 15.213 5.624 -1.731 18 HA THR 3 HA THR 3 13.962 7.928 -0.510 19 HB THR 3 HB THR 3 13.316 6.491 -3.027 20 HG1 THR 3 HG1 THR 3 15.494 7.197 -3.082 21 HG21 THR 3 HG21 THR 3 11.582 8.061 -2.305 22 HG22 THR 3 HG22 THR 3 12.384 8.684 -3.745 23 HG23 THR 3 HG23 THR 3 12.783 9.344 -2.160 24 H LEU 4 HN LEU 4 12.575 7.413 1.060 25 HA LEU 4 HA LEU 4 11.077 4.931 0.967 26 HB2 LEU 4 HB2 LEU 4 11.150 7.070 3.094 27 HB3 LEU 4 HB1 LEU 4 10.415 5.488 3.239 28 HG LEU 4 HG LEU 4 13.362 6.076 3.004 29 HD11 LEU 4 HD11 LEU 4 11.714 4.990 5.276 30 HD12 LEU 4 HD12 LEU 4 12.432 6.597 5.185 31 HD13 LEU 4 HD13 LEU 4 13.469 5.172 5.269 32 HD21 LEU 4 HD21 LEU 4 13.667 3.661 3.345 33 HD22 LEU 4 HD22 LEU 4 12.812 4.019 1.840 34 HD23 LEU 4 HD23 LEU 4 11.915 3.448 3.246 35 H LEU 5 HN LEU 5 8.771 5.240 1.884 36 HA LEU 5 HA LEU 5 7.395 7.111 0.107 37 HB2 LEU 5 HB2 LEU 5 6.351 4.895 1.853 38 HB3 LEU 5 HB1 LEU 5 5.372 5.902 0.811 39 HG LEU 5 HG LEU 5 7.500 3.995 -0.133 40 HD11 LEU 5 HD11 LEU 5 4.489 3.802 -0.147 41 HD12 LEU 5 HD12 LEU 5 5.577 2.877 0.888 42 HD13 LEU 5 HD13 LEU 5 5.606 2.635 -0.859 43 HD21 LEU 5 HD21 LEU 5 6.521 4.419 -2.327 44 HD22 LEU 5 HD22 LEU 5 7.151 5.903 -1.611 45 HD23 LEU 5 HD23 LEU 5 5.416 5.591 -1.609 46 H THR 6 HN THR 6 6.182 8.768 0.895 47 HA THR 6 HA THR 6 6.248 9.214 3.765 48 HB THR 6 HB THR 6 5.403 11.475 3.159 49 HG1 THR 6 HG1 THR 6 5.898 11.002 0.413 50 HG21 THR 6 HG21 THR 6 7.849 10.645 1.573 51 HG22 THR 6 HG22 THR 6 7.839 11.121 3.272 52 HG23 THR 6 HG23 THR 6 7.435 12.300 2.024 53 H THR 7 HN THR 7 4.003 10.321 4.475 54 HA THR 7 HA THR 7 1.844 8.652 4.300 55 HB THR 7 HB THR 7 1.662 11.667 4.396 56 HG1 THR 7 HG1 THR 7 2.266 9.966 6.600 57 HG21 THR 7 HG21 THR 7 -0.142 11.208 6.001 58 HG22 THR 7 HG22 THR 7 0.150 9.476 5.842 59 HG23 THR 7 HG23 THR 7 -0.450 10.398 4.464 60 H ASP 8 HN ASP 8 2.649 11.542 2.451 61 HA ASP 8 HA ASP 8 0.481 11.761 0.705 62 HB2 ASP 8 HB2 ASP 8 2.231 13.461 1.171 63 HB3 ASP 8 HB1 ASP 8 3.348 12.523 0.189 64 H ASP 9 HN ASP 9 3.673 10.301 0.160 65 HA ASP 9 HA ASP 9 3.148 9.477 -2.507 66 HB2 ASP 9 HB2 ASP 9 5.248 8.464 -0.592 67 HB3 ASP 9 HB1 ASP 9 5.153 7.990 -2.279 68 H LEU 10 HN LEU 10 2.721 7.870 0.545 69 HA LEU 10 HA LEU 10 2.005 5.355 -0.599 70 HB2 LEU 10 HB2 LEU 10 2.771 5.549 1.721 71 HB3 LEU 10 HB1 LEU 10 1.378 6.532 2.110 72 HG LEU 10 HG LEU 10 -0.089 4.600 1.618 73 HD11 LEU 10 HD11 LEU 10 1.356 3.382 0.085 74 HD12 LEU 10 HD12 LEU 10 0.897 2.364 1.449 75 HD13 LEU 10 HD13 LEU 10 2.507 3.082 1.387 76 HD21 LEU 10 HD21 LEU 10 0.459 3.354 3.647 77 HD22 LEU 10 HD22 LEU 10 0.584 5.098 3.886 78 HD23 LEU 10 HD23 LEU 10 2.044 4.130 3.685 79 H ARG 11 HN ARG 11 0.186 8.110 0.654 80 HA ARG 11 HA ARG 11 -2.393 7.151 0.670 81 HB2 ARG 11 HB2 ARG 11 -1.573 9.373 1.516 82 HB3 ARG 11 HB1 ARG 11 -1.669 9.950 -0.137 83 HG2 ARG 11 HG2 ARG 11 -4.081 9.399 -0.165 84 HG3 ARG 11 HG1 ARG 11 -3.949 8.937 1.536 85 HD2 ARG 11 HD2 ARG 11 -4.785 11.167 1.412 86 HD3 ARG 11 HD1 ARG 11 -3.132 11.214 2.029 87 HE ARG 11 HE ARG 11 -3.672 11.614 -0.802 88 HH11 ARG 11 HH11 ARG 11 -2.359 12.853 2.274 89 HH12 ARG 11 HH12 ARG 11 -1.767 14.301 1.579 90 HH21 ARG 11 HH21 ARG 11 -2.879 13.651 -1.712 91 HH22 ARG 11 HH22 ARG 11 -2.126 14.789 -0.693 92 H ARG 12 HN ARG 12 -0.703 8.674 -1.973 93 HA ARG 12 HA ARG 12 -2.801 8.879 -3.750 94 HB2 ARG 12 HB2 ARG 12 -1.107 8.978 -5.544 95 HB3 ARG 12 HB1 ARG 12 -0.709 10.004 -4.178 96 HG2 ARG 12 HG2 ARG 12 0.864 8.272 -3.387 97 HG3 ARG 12 HG1 ARG 12 0.493 7.331 -4.832 98 HD2 ARG 12 HD2 ARG 12 1.287 9.170 -6.224 99 HD3 ARG 12 HD1 ARG 12 1.666 10.101 -4.777 100 HE ARG 12 HE ARG 12 2.982 7.694 -4.537 101 HH11 ARG 12 HH11 ARG 12 3.103 10.576 -6.608 102 HH12 ARG 12 HH12 ARG 12 4.729 10.329 -7.081 103 HH21 ARG 12 HH21 ARG 12 5.362 7.421 -5.258 104 HH22 ARG 12 HH22 ARG 12 5.945 8.624 -6.295 105 H ALA 13 HN ALA 13 -0.775 6.075 -3.059 106 HA ALA 13 HA ALA 13 -1.547 4.538 -5.311 107 HB1 ALA 13 HB1 ALA 13 0.512 4.104 -4.070 108 HB2 ALA 13 HB2 ALA 13 -0.509 2.664 -4.135 109 HB3 ALA 13 HB3 ALA 13 -0.435 3.633 -2.662 110 H LEU 14 HN LEU 14 -2.824 4.878 -2.081 111 HA LEU 14 HA LEU 14 -4.685 2.716 -2.098 112 HB2 LEU 14 HB2 LEU 14 -4.555 5.291 -0.543 113 HB3 LEU 14 HB1 LEU 14 -5.863 4.144 -0.349 114 HG LEU 14 HG LEU 14 -4.271 3.864 1.442 115 HD11 LEU 14 HD11 LEU 14 -3.715 1.488 1.232 116 HD12 LEU 14 HD12 LEU 14 -4.077 1.554 -0.482 117 HD13 LEU 14 HD13 LEU 14 -5.354 1.841 0.700 118 HD21 LEU 14 HD21 LEU 14 -2.265 4.744 0.386 119 HD22 LEU 14 HD22 LEU 14 -2.188 3.337 -0.675 120 HD23 LEU 14 HD23 LEU 14 -1.958 3.144 1.064 121 H VAL 15 HN VAL 15 -5.031 6.145 -2.767 122 HA VAL 15 HA VAL 15 -7.696 6.019 -3.644 123 HB VAL 15 HB VAL 15 -5.601 8.119 -4.307 124 HG11 VAL 15 HG11 VAL 15 -7.510 8.274 -5.824 125 HG12 VAL 15 HG12 VAL 15 -7.475 9.636 -4.702 126 HG13 VAL 15 HG13 VAL 15 -8.610 8.309 -4.445 127 HG21 VAL 15 HG21 VAL 15 -7.644 8.006 -2.096 128 HG22 VAL 15 HG22 VAL 15 -6.576 9.367 -2.439 129 HG23 VAL 15 HG23 VAL 15 -5.900 7.824 -1.918 130 H GLU 16 HN GLU 16 -4.769 5.232 -5.298 131 HA GLU 16 HA GLU 16 -5.714 5.538 -7.981 132 HB2 GLU 16 HB2 GLU 16 -3.420 3.924 -6.876 133 HB3 GLU 16 HB1 GLU 16 -3.770 4.076 -8.587 134 HG2 GLU 16 HG2 GLU 16 -3.054 6.325 -6.729 135 HG3 GLU 16 HG1 GLU 16 -1.959 5.525 -7.850 136 H SER 17 HN SER 17 -5.250 2.707 -5.876 137 HA SER 17 HA SER 17 -6.110 0.879 -7.864 138 HB2 SER 17 HB2 SER 17 -5.855 -0.714 -5.916 139 HB3 SER 17 HB1 SER 17 -4.440 0.261 -6.308 140 HG SER 17 HG SER 17 -4.710 0.473 -4.112 141 H ALA 18 HN ALA 18 -7.415 1.781 -4.705 142 HA ALA 18 HA ALA 18 -9.827 0.333 -4.977 143 HB1 ALA 18 HB1 ALA 18 -10.546 1.525 -2.995 144 HB2 ALA 18 HB2 ALA 18 -9.206 2.659 -3.181 145 HB3 ALA 18 HB3 ALA 18 -8.884 0.962 -2.825 146 H GLY 19 HN GLY 19 -8.850 3.494 -5.882 147 HA2 GLY 19 HA2 GLY 19 -11.384 4.701 -6.122 148 HA3 GLY 19 HA1 GLY 19 -9.906 5.246 -6.889 149 H GLU 20 HN GLU 20 -9.943 2.296 -8.062 150 HA GLU 20 HA GLU 20 -11.341 3.130 -10.452 151 HB2 GLU 20 HB2 GLU 20 -9.795 0.589 -9.918 152 HB3 GLU 20 HB1 GLU 20 -10.410 1.096 -11.484 153 HG2 GLU 20 HG2 GLU 20 -8.348 2.565 -9.857 154 HG3 GLU 20 HG1 GLU 20 -8.002 1.508 -11.219 155 H THR 21 HN THR 21 -12.210 1.732 -7.729 156 HA THR 21 HA THR 21 -14.633 0.616 -8.932 157 HB THR 21 HB THR 21 -13.204 -0.571 -6.502 158 HG1 THR 21 HG1 THR 21 -12.061 -1.230 -8.244 159 HG21 THR 21 HG21 THR 21 -14.869 -2.374 -6.693 160 HG22 THR 21 HG22 THR 21 -15.627 -1.536 -8.047 161 HG23 THR 21 HG23 THR 21 -15.655 -0.816 -6.436 162 H ASP 22 HN ASP 22 -15.538 2.648 -8.551 163 HA ASP 22 HA ASP 22 -15.228 4.099 -6.174 164 HB2 ASP 22 HB2 ASP 22 -15.963 5.147 -8.284 165 HB3 ASP 22 HB1 ASP 22 -17.513 4.315 -8.140 166 H GLY 23 HN GLY 23 -15.815 3.612 -4.327 167 HA2 GLY 23 HA2 GLY 23 -18.190 3.189 -3.180 168 HA3 GLY 23 HA1 GLY 23 -17.773 1.575 -3.772 169 H THR 24 HN THR 24 -15.009 1.782 -3.578 170 HA THR 24 HA THR 24 -14.662 1.962 -0.710 171 HB THR 24 HB THR 24 -14.108 -0.253 -1.394 172 HG1 THR 24 HG1 THR 24 -12.523 0.323 0.007 173 HG21 THR 24 HG21 THR 24 -12.378 0.895 -3.598 174 HG22 THR 24 HG22 THR 24 -13.919 0.066 -3.811 175 HG23 THR 24 HG23 THR 24 -12.522 -0.818 -3.201 176 H ASP 25 HN ASP 25 -14.618 4.230 -0.924 177 HA ASP 25 HA ASP 25 -12.133 5.243 -2.108 178 HB2 ASP 25 HB2 ASP 25 -14.206 6.374 -2.888 179 HB3 ASP 25 HB1 ASP 25 -14.564 6.825 -1.224 180 H LEU 26 HN LEU 26 -10.621 5.992 -0.883 181 HA LEU 26 HA LEU 26 -11.109 6.452 1.946 182 HB2 LEU 26 HB2 LEU 26 -9.280 5.066 2.663 183 HB3 LEU 26 HB1 LEU 26 -10.341 4.098 1.683 184 HG LEU 26 HG LEU 26 -7.608 5.143 0.915 185 HD11 LEU 26 HD11 LEU 26 -7.545 3.348 2.493 186 HD12 LEU 26 HD12 LEU 26 -6.989 2.791 0.915 187 HD13 LEU 26 HD13 LEU 26 -8.607 2.373 1.478 188 HD21 LEU 26 HD21 LEU 26 -9.542 3.483 -0.721 189 HD22 LEU 26 HD22 LEU 26 -7.821 3.631 -1.047 190 HD23 LEU 26 HD23 LEU 26 -8.836 5.058 -1.150 191 H SER 27 HN SER 27 -10.880 8.304 0.001 192 HA SER 27 HA SER 27 -8.262 9.301 -0.336 193 HB2 SER 27 HB2 SER 27 -9.454 11.390 -1.066 194 HB3 SER 27 HB1 SER 27 -9.966 9.930 -1.907 195 HG SER 27 HG SER 27 -11.832 9.921 -0.842 196 H GLY 28 HN GLY 28 -7.274 11.045 0.676 197 HA2 GLY 28 HA2 GLY 28 -6.864 12.574 2.380 198 HA3 GLY 28 HA1 GLY 28 -8.467 12.249 3.016 199 H ASP 29 HN ASP 29 -8.437 9.601 3.640 200 HA ASP 29 HA ASP 29 -6.060 9.114 5.198 201 HB2 ASP 29 HB2 ASP 29 -7.423 10.531 6.687 202 HB3 ASP 29 HB1 ASP 29 -8.739 9.364 6.577 203 H PHE 30 HN PHE 30 -5.839 7.114 5.928 204 HA PHE 30 HA PHE 30 -7.538 4.856 5.203 205 HB2 PHE 30 HB2 PHE 30 -5.835 3.856 3.679 206 HB3 PHE 30 HB1 PHE 30 -6.566 5.172 2.836 207 HD1 PHE 30 HD2 PHE 30 -5.219 7.499 3.240 208 HD2 PHE 30 HD1 PHE 30 -3.610 3.608 3.752 209 HE1 PHE 30 HE2 PHE 30 -2.972 8.408 3.048 210 HE2 PHE 30 HE1 PHE 30 -1.351 4.519 3.566 211 HZ PHE 30 HZ PHE 30 -1.020 6.923 3.214 212 H LEU 31 HN LEU 31 -4.607 6.247 6.449 213 HA LEU 31 HA LEU 31 -2.774 4.278 6.541 214 HB2 LEU 31 HB2 LEU 31 -2.328 6.569 6.860 215 HB3 LEU 31 HB1 LEU 31 -3.114 6.574 8.434 216 HG LEU 31 HG LEU 31 -1.327 4.959 9.188 217 HD11 LEU 31 HD11 LEU 31 -0.067 5.746 6.561 218 HD12 LEU 31 HD12 LEU 31 -0.647 4.139 6.998 219 HD13 LEU 31 HD13 LEU 31 0.721 4.846 7.856 220 HD21 LEU 31 HD21 LEU 31 -0.445 7.667 8.209 221 HD22 LEU 31 HD22 LEU 31 0.362 6.702 9.443 222 HD23 LEU 31 HD23 LEU 31 -1.261 7.329 9.735 223 H ASP 32 HN ASP 32 -5.066 4.867 9.194 224 HA ASP 32 HA ASP 32 -3.852 2.612 10.630 225 HB2 ASP 32 HB2 ASP 32 -4.247 4.827 11.773 226 HB3 ASP 32 HB1 ASP 32 -5.973 4.550 11.593 227 H LEU 33 HN LEU 33 -6.222 3.032 8.402 228 HA LEU 33 HA LEU 33 -8.239 1.389 9.663 229 HB2 LEU 33 HB2 LEU 33 -8.164 2.693 6.939 230 HB3 LEU 33 HB1 LEU 33 -9.475 1.684 7.493 231 HG LEU 33 HG LEU 33 -10.235 3.865 7.698 232 HD11 LEU 33 HD11 LEU 33 -10.825 2.586 9.609 233 HD12 LEU 33 HD12 LEU 33 -10.555 4.262 10.085 234 HD13 LEU 33 HD13 LEU 33 -9.330 3.038 10.427 235 HD21 LEU 33 HD21 LEU 33 -9.035 5.697 8.826 236 HD22 LEU 33 HD22 LEU 33 -8.145 5.069 7.438 237 HD23 LEU 33 HD23 LEU 33 -7.657 4.622 9.070 238 H ARG 34 HN ARG 34 -8.409 -0.634 9.440 239 HA ARG 34 HA ARG 34 -6.386 -2.135 8.075 240 HB2 ARG 34 HB2 ARG 34 -7.362 -2.548 10.384 241 HB3 ARG 34 HB1 ARG 34 -8.811 -3.126 9.596 242 HG2 ARG 34 HG2 ARG 34 -6.122 -4.377 9.129 243 HG3 ARG 34 HG1 ARG 34 -7.160 -4.835 10.476 244 HD2 ARG 34 HD2 ARG 34 -7.793 -4.983 7.559 245 HD3 ARG 34 HD1 ARG 34 -7.413 -6.338 8.615 246 HE ARG 34 HE ARG 34 -9.807 -4.665 9.134 247 HH11 ARG 34 HH11 ARG 34 -8.376 -7.886 8.649 248 HH12 ARG 34 HH12 ARG 34 -9.750 -8.712 9.150 249 HH21 ARG 34 HH21 ARG 34 -11.653 -5.768 9.780 250 HH22 ARG 34 HH22 ARG 34 -11.721 -7.483 9.799 251 H PHE 35 HN PHE 35 -6.535 -3.238 6.200 252 HA PHE 35 HA PHE 35 -8.076 -2.273 4.168 253 HB2 PHE 35 HB2 PHE 35 -6.716 -4.949 4.167 254 HB3 PHE 35 HB1 PHE 35 -7.315 -4.109 2.738 255 HD1 PHE 35 HD2 PHE 35 -6.368 -1.759 2.297 256 HD2 PHE 35 HD1 PHE 35 -4.643 -4.573 4.938 257 HE1 PHE 35 HE2 PHE 35 -4.239 -0.539 2.189 258 HE2 PHE 35 HE1 PHE 35 -2.548 -3.411 4.862 259 HZ PHE 35 HZ PHE 35 -2.298 -1.365 3.471 260 H GLU 36 HN GLU 36 -8.726 -5.442 5.620 261 HA GLU 36 HA GLU 36 -10.898 -6.123 4.040 262 HB2 GLU 36 HB2 GLU 36 -10.649 -6.656 6.994 263 HB3 GLU 36 HB1 GLU 36 -11.742 -7.487 5.896 264 HG2 GLU 36 HG2 GLU 36 -8.738 -7.537 5.793 265 HG3 GLU 36 HG1 GLU 36 -9.785 -8.821 6.388 266 H ASP 37 HN ASP 37 -10.855 -3.726 6.601 267 HA ASP 37 HA ASP 37 -13.737 -3.571 6.617 268 HB2 ASP 37 HB2 ASP 37 -11.651 -2.179 8.274 269 HB3 ASP 37 HB1 ASP 37 -13.368 -1.806 8.373 270 H ILE 38 HN ILE 38 -11.257 -2.156 4.843 271 HA ILE 38 HA ILE 38 -12.823 0.290 4.478 272 HB ILE 38 HB ILE 38 -10.875 1.122 3.093 273 HG12 ILE 38 HG12 ILE 38 -9.525 -1.296 4.300 274 HG13 ILE 38 HG11 ILE 38 -9.844 -1.083 2.594 275 HG21 ILE 38 HG21 ILE 38 -10.361 0.484 5.984 276 HG22 ILE 38 HG22 ILE 38 -11.243 1.874 5.348 277 HG23 ILE 38 HG23 ILE 38 -9.519 1.707 5.030 278 HD11 ILE 38 HD11 ILE 38 -7.945 0.541 4.284 279 HD12 ILE 38 HD12 ILE 38 -8.248 0.781 2.552 280 HD13 ILE 38 HD13 ILE 38 -7.543 -0.727 3.128 281 H GLY 39 HN GLY 39 -13.461 -2.374 3.399 282 HA2 GLY 39 HA2 GLY 39 -14.637 -3.049 1.529 283 HA3 GLY 39 HA1 GLY 39 -14.420 -1.433 0.884 284 H TYR 40 HN TYR 40 -11.657 -3.249 1.830 285 HA TYR 40 HA TYR 40 -10.822 -3.310 -0.940 286 HB2 TYR 40 HB2 TYR 40 -9.463 -3.395 1.681 287 HB3 TYR 40 HB1 TYR 40 -8.684 -4.305 0.406 288 HD1 TYR 40 HD2 TYR 40 -10.469 -1.057 0.468 289 HD2 TYR 40 HD1 TYR 40 -6.847 -3.088 -0.369 290 HE1 TYR 40 HE2 TYR 40 -9.507 1.041 -0.336 291 HE2 TYR 40 HE1 TYR 40 -5.861 -0.987 -1.183 292 HH TYR 40 HH TYR 40 -7.264 2.046 -0.629 293 H ASP 41 HN ASP 41 -10.842 -5.023 -2.143 294 HA ASP 41 HA ASP 41 -11.933 -7.443 -1.046 295 HB2 ASP 41 HB2 ASP 41 -12.233 -8.115 -3.392 296 HB3 ASP 41 HB1 ASP 41 -12.828 -6.483 -3.165 297 H SER 42 HN SER 42 -9.258 -6.695 -3.154 298 HA SER 42 HA SER 42 -7.160 -7.971 -1.926 299 HB2 SER 42 HB2 SER 42 -7.048 -10.061 -3.386 300 HB3 SER 42 HB1 SER 42 -8.279 -10.101 -2.117 301 H LEU 43 HN LEU 43 -8.853 -7.496 -5.008 302 HA LEU 43 HA LEU 43 -6.560 -7.066 -6.592 303 HB2 LEU 43 HB2 LEU 43 -8.647 -7.509 -7.683 304 HB3 LEU 43 HB1 LEU 43 -9.403 -6.130 -6.913 305 HG LEU 43 HG LEU 43 -7.969 -4.617 -8.232 306 HD11 LEU 43 HD11 LEU 43 -6.679 -5.466 -10.110 307 HD12 LEU 43 HD12 LEU 43 -6.974 -7.125 -9.572 308 HD13 LEU 43 HD13 LEU 43 -6.049 -6.008 -8.563 309 HD21 LEU 43 HD21 LEU 43 -10.171 -5.198 -9.063 310 HD22 LEU 43 HD22 LEU 43 -9.504 -6.611 -9.881 311 HD23 LEU 43 HD23 LEU 43 -9.036 -4.991 -10.396 312 H ALA 44 HN ALA 44 -8.757 -4.798 -5.018 313 HA ALA 44 HA ALA 44 -7.328 -2.495 -5.751 314 HB1 ALA 44 HB1 ALA 44 -9.007 -2.944 -3.275 315 HB2 ALA 44 HB2 ALA 44 -9.612 -2.419 -4.848 316 HB3 ALA 44 HB3 ALA 44 -8.526 -1.378 -3.929 317 H LEU 45 HN LEU 45 -6.990 -4.701 -3.079 318 HA LEU 45 HA LEU 45 -5.120 -3.118 -1.702 319 HB2 LEU 45 HB2 LEU 45 -6.538 -4.806 -0.589 320 HB3 LEU 45 HB1 LEU 45 -5.663 -6.077 -1.404 321 HG LEU 45 HG LEU 45 -5.195 -5.392 1.112 322 HD11 LEU 45 HD11 LEU 45 -2.984 -5.946 -0.888 323 HD12 LEU 45 HD12 LEU 45 -3.990 -7.199 -0.141 324 HD13 LEU 45 HD13 LEU 45 -2.875 -6.236 0.845 325 HD21 LEU 45 HD21 LEU 45 -3.247 -3.955 1.285 326 HD22 LEU 45 HD22 LEU 45 -4.674 -3.118 0.650 327 HD23 LEU 45 HD23 LEU 45 -3.373 -3.626 -0.449 328 H MET 46 HN MET 46 -4.616 -5.967 -3.805 329 HA MET 46 HA MET 46 -1.802 -5.876 -3.501 330 HB2 MET 46 HB2 MET 46 -1.672 -7.601 -5.101 331 HB3 MET 46 HB1 MET 46 -3.204 -7.865 -4.296 332 HG2 MET 46 HG2 MET 46 -3.756 -8.221 -6.517 333 HG3 MET 46 HG1 MET 46 -4.174 -6.517 -6.274 334 HE1 MET 46 HE1 MET 46 -3.732 -7.896 -9.177 335 HE2 MET 46 HE2 MET 46 -2.839 -6.613 -9.995 336 HE3 MET 46 HE3 MET 46 -4.208 -6.211 -8.958 337 H GLU 47 HN GLU 47 -4.024 -4.309 -5.706 338 HA GLU 47 HA GLU 47 -2.099 -3.573 -7.627 339 HB2 GLU 47 HB2 GLU 47 -4.600 -3.697 -7.925 340 HB3 GLU 47 HB1 GLU 47 -4.704 -2.179 -7.048 341 HG2 GLU 47 HG2 GLU 47 -3.259 -1.152 -8.745 342 HG3 GLU 47 HG1 GLU 47 -3.304 -2.660 -9.655 343 H THR 48 HN THR 48 -3.102 -2.248 -4.608 344 HA THR 48 HA THR 48 -2.051 0.368 -4.800 345 HB THR 48 HB THR 48 -2.169 -1.479 -2.381 346 HG1 THR 48 HG1 THR 48 -4.255 -1.276 -3.158 347 HG21 THR 48 HG21 THR 48 -2.269 0.596 -1.067 348 HG22 THR 48 HG22 THR 48 -2.106 1.544 -2.547 349 HG23 THR 48 HG23 THR 48 -0.778 0.517 -2.007 350 H ALA 49 HN ALA 49 -0.710 -2.665 -3.532 351 HA ALA 49 HA ALA 49 1.911 -1.837 -3.068 352 HB1 ALA 49 HB1 ALA 49 0.854 -4.554 -3.804 353 HB2 ALA 49 HB2 ALA 49 1.032 -3.913 -2.160 354 HB3 ALA 49 HB3 ALA 49 2.456 -4.219 -3.169 355 H ALA 50 HN ALA 50 0.514 -3.581 -5.823 356 HA ALA 50 HA ALA 50 2.775 -3.842 -7.387 357 HB1 ALA 50 HB1 ALA 50 1.288 -4.241 -9.258 358 HB2 ALA 50 HB2 ALA 50 -0.055 -3.518 -8.373 359 HB3 ALA 50 HB3 ALA 50 0.666 -5.021 -7.804 360 H ARG 51 HN ARG 51 0.587 -1.116 -7.170 361 HA ARG 51 HA ARG 51 1.463 0.351 -9.413 362 HB2 ARG 51 HB2 ARG 51 -0.558 0.741 -7.827 363 HB3 ARG 51 HB1 ARG 51 0.586 1.563 -6.785 364 HG2 ARG 51 HG2 ARG 51 -0.502 3.231 -8.026 365 HG3 ARG 51 HG1 ARG 51 1.101 3.068 -8.746 366 HD2 ARG 51 HD2 ARG 51 -0.540 3.218 -10.524 367 HD3 ARG 51 HD1 ARG 51 0.134 1.587 -10.463 368 HE ARG 51 HE ARG 51 -1.910 0.835 -9.412 369 HH11 ARG 51 HH11 ARG 51 -2.087 4.008 -11.053 370 HH12 ARG 51 HH12 ARG 51 -3.793 3.955 -11.161 371 HH21 ARG 51 HH21 ARG 51 -4.376 0.834 -9.701 372 HH22 ARG 51 HH22 ARG 51 -5.021 2.191 -10.430 373 H LEU 52 HN LEU 52 2.408 0.417 -6.011 374 HA LEU 52 HA LEU 52 4.534 2.287 -6.314 375 HB2 LEU 52 HB2 LEU 52 3.902 0.389 -4.066 376 HB3 LEU 52 HB1 LEU 52 5.086 1.682 -3.996 377 HG LEU 52 HG LEU 52 2.119 2.073 -4.397 378 HD11 LEU 52 HD11 LEU 52 3.841 2.569 -1.983 379 HD12 LEU 52 HD12 LEU 52 2.627 1.306 -2.155 380 HD13 LEU 52 HD13 LEU 52 2.140 3.005 -2.144 381 HD21 LEU 52 HD21 LEU 52 3.430 3.813 -5.486 382 HD22 LEU 52 HD22 LEU 52 4.341 4.079 -4.000 383 HD23 LEU 52 HD23 LEU 52 2.618 4.454 -4.057 384 H GLU 53 HN GLU 53 4.455 -1.250 -6.067 385 HA GLU 53 HA GLU 53 7.154 -1.800 -5.854 386 HB2 GLU 53 HB2 GLU 53 5.117 -3.335 -7.456 387 HB3 GLU 53 HB1 GLU 53 6.718 -3.919 -7.062 388 HG2 GLU 53 HG2 GLU 53 6.111 -3.872 -4.678 389 HG3 GLU 53 HG1 GLU 53 4.502 -3.315 -5.136 390 H SER 54 HN SER 54 5.241 -1.499 -8.766 391 HA SER 54 HA SER 54 7.260 -2.035 -10.636 392 HB2 SER 54 HB2 SER 54 4.838 -0.282 -11.069 393 HB3 SER 54 HB1 SER 54 5.721 -1.208 -12.286 394 HG SER 54 HG SER 54 3.979 -2.069 -10.270 395 H ARG 55 HN ARG 55 6.207 0.973 -9.166 396 HA ARG 55 HA ARG 55 7.600 2.689 -10.926 397 HB2 ARG 55 HB2 ARG 55 5.627 3.380 -9.660 398 HB3 ARG 55 HB1 ARG 55 6.550 3.252 -8.169 399 HG2 ARG 55 HG2 ARG 55 7.949 5.080 -8.795 400 HG3 ARG 55 HG1 ARG 55 7.262 5.119 -10.422 401 HD2 ARG 55 HD2 ARG 55 5.827 5.720 -7.836 402 HD3 ARG 55 HD1 ARG 55 6.276 6.881 -9.092 403 HE ARG 55 HE ARG 55 4.804 4.963 -10.357 404 HH11 ARG 55 HH11 ARG 55 4.182 7.429 -7.894 405 HH12 ARG 55 HH12 ARG 55 2.485 7.425 -8.146 406 HH21 ARG 55 HH21 ARG 55 2.496 4.898 -10.609 407 HH22 ARG 55 HH22 ARG 55 1.501 5.958 -9.728 408 H TYR 56 HN TYR 56 8.493 1.273 -7.819 409 HA TYR 56 HA TYR 56 10.968 2.864 -7.942 410 HB2 TYR 56 HB2 TYR 56 10.078 1.259 -5.551 411 HB3 TYR 56 HB1 TYR 56 11.285 2.512 -5.636 412 HD1 TYR 56 HD2 TYR 56 10.497 4.912 -6.336 413 HD2 TYR 56 HD1 TYR 56 7.873 1.883 -4.891 414 HE1 TYR 56 HE2 TYR 56 8.818 6.626 -5.756 415 HE2 TYR 56 HE1 TYR 56 6.222 3.569 -4.317 416 HH TYR 56 HH TYR 56 6.254 5.992 -3.741 417 H GLY 57 HN GLY 57 9.859 -0.311 -8.441 418 HA2 GLY 57 HA2 GLY 57 11.083 -2.080 -9.270 419 HA3 GLY 57 HA1 GLY 57 12.565 -1.208 -8.903 420 H VAL 58 HN VAL 58 9.812 -2.417 -7.027 421 HA VAL 58 HA VAL 58 11.729 -3.801 -5.301 422 HB VAL 58 HB VAL 58 10.328 -3.413 -3.303 423 HG11 VAL 58 HG11 VAL 58 12.170 -1.908 -3.690 424 HG12 VAL 58 HG12 VAL 58 10.821 -1.044 -2.952 425 HG13 VAL 58 HG13 VAL 58 11.140 -0.868 -4.675 426 HG21 VAL 58 HG21 VAL 58 8.160 -3.111 -4.363 427 HG22 VAL 58 HG22 VAL 58 8.703 -1.593 -5.078 428 HG23 VAL 58 HG23 VAL 58 8.534 -1.732 -3.326 429 H SER 59 HN SER 59 10.340 -5.412 -3.765 430 HA SER 59 HA SER 59 8.362 -6.736 -5.425 431 HB2 SER 59 HB2 SER 59 9.603 -8.914 -4.917 432 HB3 SER 59 HB1 SER 59 10.289 -7.858 -6.149 433 HG SER 59 HG SER 59 11.136 -8.213 -3.459 434 H ILE 60 HN ILE 60 6.648 -6.860 -4.142 435 HA ILE 60 HA ILE 60 7.040 -7.467 -1.310 436 HB ILE 60 HB ILE 60 4.565 -6.554 -2.809 437 HG12 ILE 60 HG12 ILE 60 6.322 -5.080 -0.836 438 HG13 ILE 60 HG11 ILE 60 6.324 -4.835 -2.580 439 HG21 ILE 60 HG21 ILE 60 4.965 -6.984 0.161 440 HG22 ILE 60 HG22 ILE 60 3.964 -7.970 -0.906 441 HG23 ILE 60 HG23 ILE 60 3.523 -6.293 -0.589 442 HD11 ILE 60 HD11 ILE 60 4.017 -4.324 -0.728 443 HD12 ILE 60 HD12 ILE 60 4.030 -4.067 -2.476 444 HD13 ILE 60 HD13 ILE 60 5.080 -3.107 -1.437 445 HA PRO 61 HA PRO 61 6.099 -11.758 -2.238 446 HB2 PRO 61 HB2 PRO 61 5.513 -11.662 0.688 447 HB3 PRO 61 HB1 PRO 61 6.522 -12.801 -0.219 448 HG2 PRO 61 HG2 PRO 61 7.655 -10.930 1.263 449 HG3 PRO 61 HG1 PRO 61 8.310 -11.308 -0.343 450 HD2 PRO 61 HD2 PRO 61 6.607 -9.010 0.521 451 HD3 PRO 61 HD1 PRO 61 7.993 -9.028 -0.591 452 H ASP 62 HN ASP 62 4.223 -12.503 -2.895 453 HA ASP 62 HA ASP 62 1.761 -11.222 -2.550 454 HB2 ASP 62 HB2 ASP 62 0.695 -13.121 -3.642 455 HB3 ASP 62 HB1 ASP 62 2.211 -12.761 -4.445 456 H ASP 63 HN ASP 63 3.285 -13.667 -0.641 457 HA ASP 63 HA ASP 63 1.049 -14.344 0.989 458 HB2 ASP 63 HB2 ASP 63 2.850 -15.855 1.093 459 HB3 ASP 63 HB1 ASP 63 4.033 -14.574 1.316 460 H VAL 64 HN VAL 64 3.606 -11.953 1.220 461 HA VAL 64 HA VAL 64 2.775 -11.113 3.818 462 HB VAL 64 HB VAL 64 4.835 -9.874 1.951 463 HG11 VAL 64 HG11 VAL 64 3.990 -8.195 3.530 464 HG12 VAL 64 HG12 VAL 64 5.652 -8.642 3.903 465 HG13 VAL 64 HG13 VAL 64 4.327 -9.286 4.874 466 HG21 VAL 64 HG21 VAL 64 6.467 -10.907 3.460 467 HG22 VAL 64 HG22 VAL 64 5.424 -12.110 2.699 468 HG23 VAL 64 HG23 VAL 64 5.149 -11.639 4.376 469 H ALA 65 HN ALA 65 2.128 -10.124 0.552 470 HA ALA 65 HA ALA 65 0.970 -7.627 1.124 471 HB1 ALA 65 HB1 ALA 65 0.212 -9.526 -1.100 472 HB2 ALA 65 HB2 ALA 65 1.516 -8.329 -1.158 473 HB3 ALA 65 HB3 ALA 65 -0.159 -7.801 -1.006 474 H GLY 66 HN GLY 66 -0.250 -10.876 1.463 475 HA2 GLY 66 HA2 GLY 66 -2.903 -9.878 2.132 476 HA3 GLY 66 HA1 GLY 66 -2.405 -11.567 2.104 477 H ARG 67 HN ARG 67 -0.042 -10.000 3.667 478 HA ARG 67 HA ARG 67 -1.156 -10.677 6.287 479 HB2 ARG 67 HB2 ARG 67 1.667 -10.614 5.256 480 HB3 ARG 67 HB1 ARG 67 1.294 -10.714 6.982 481 HG2 ARG 67 HG2 ARG 67 0.170 -12.789 6.678 482 HG3 ARG 67 HG1 ARG 67 0.260 -12.639 4.923 483 HD2 ARG 67 HD2 ARG 67 1.912 -14.207 5.731 484 HD3 ARG 67 HD1 ARG 67 2.684 -12.787 5.038 485 HE ARG 67 HE ARG 67 2.351 -12.540 7.841 486 HH11 ARG 67 HH11 ARG 67 4.369 -14.103 5.346 487 HH12 ARG 67 HH12 ARG 67 5.757 -14.210 6.331 488 HH21 ARG 67 HH21 ARG 67 4.227 -12.774 9.219 489 HH22 ARG 67 HH22 ARG 67 5.648 -13.509 8.633 490 H VAL 68 HN VAL 68 -0.395 -8.045 4.417 491 HA VAL 68 HA VAL 68 0.145 -6.327 6.667 492 HB VAL 68 HB VAL 68 0.104 -4.449 4.958 493 HG11 VAL 68 HG11 VAL 68 2.169 -5.071 3.820 494 HG12 VAL 68 HG12 VAL 68 1.919 -6.749 4.303 495 HG13 VAL 68 HG13 VAL 68 2.194 -5.511 5.528 496 HG21 VAL 68 HG21 VAL 68 -1.432 -5.428 3.322 497 HG22 VAL 68 HG22 VAL 68 -0.248 -6.683 2.956 498 HG23 VAL 68 HG23 VAL 68 0.105 -4.999 2.570 499 H ASP 69 HN ASP 69 -1.508 -5.962 7.995 500 HA ASP 69 HA ASP 69 -4.232 -5.954 6.948 501 HB2 ASP 69 HB2 ASP 69 -3.231 -5.655 9.786 502 HB3 ASP 69 HB1 ASP 69 -4.923 -5.681 9.318 503 H THR 70 HN THR 70 -1.906 -3.803 8.378 504 HA THR 70 HA THR 70 -3.784 -1.599 8.005 505 HB THR 70 HB THR 70 -2.156 -0.294 9.362 506 HG1 THR 70 HG1 THR 70 -0.999 -2.831 10.023 507 HG21 THR 70 HG21 THR 70 -2.774 -1.306 11.523 508 HG22 THR 70 HG22 THR 70 -3.277 -2.770 10.680 509 HG23 THR 70 HG23 THR 70 -4.135 -1.255 10.407 510 HA PRO 71 HA PRO 71 -1.411 -0.132 4.523 511 HB2 PRO 71 HB2 PRO 71 -2.203 2.555 5.525 512 HB3 PRO 71 HB1 PRO 71 -2.460 1.835 3.930 513 HG2 PRO 71 HG2 PRO 71 -4.495 2.080 5.599 514 HG3 PRO 71 HG1 PRO 71 -4.302 0.598 4.639 515 HD2 PRO 71 HD2 PRO 71 -3.596 1.097 7.511 516 HD3 PRO 71 HD1 PRO 71 -4.435 -0.298 6.806 517 H ARG 72 HN ARG 72 -1.195 1.337 7.700 518 HA ARG 72 HA ARG 72 1.276 2.569 7.556 519 HB2 ARG 72 HB2 ARG 72 -0.122 2.832 9.492 520 HB3 ARG 72 HB1 ARG 72 -0.028 1.121 9.865 521 HG2 ARG 72 HG2 ARG 72 2.297 1.336 10.462 522 HG3 ARG 72 HG1 ARG 72 2.309 3.023 9.935 523 HD2 ARG 72 HD2 ARG 72 0.550 1.937 12.129 524 HD3 ARG 72 HD1 ARG 72 2.110 2.714 12.403 525 HE ARG 72 HE ARG 72 1.181 4.712 11.373 526 HH11 ARG 72 HH11 ARG 72 -1.153 2.323 12.573 527 HH12 ARG 72 HH12 ARG 72 -2.372 3.435 12.945 528 HH21 ARG 72 HH21 ARG 72 -0.459 6.314 11.955 529 HH22 ARG 72 HH22 ARG 72 -1.958 5.830 12.564 530 H GLU 73 HN GLU 73 0.565 -0.862 8.242 531 HA GLU 73 HA GLU 73 3.249 -1.672 8.528 532 HB2 GLU 73 HB2 GLU 73 1.366 -3.050 9.298 533 HB3 GLU 73 HB1 GLU 73 0.838 -3.273 7.637 534 HG2 GLU 73 HG2 GLU 73 1.977 -5.244 8.375 535 HG3 GLU 73 HG1 GLU 73 2.961 -4.436 7.159 536 H LEU 74 HN LEU 74 1.083 -1.489 5.764 537 HA LEU 74 HA LEU 74 2.807 -2.715 3.887 538 HB2 LEU 74 HB2 LEU 74 0.325 -2.402 3.629 539 HB3 LEU 74 HB1 LEU 74 0.589 -0.692 3.425 540 HG LEU 74 HG LEU 74 0.048 -2.024 1.341 541 HD11 LEU 74 HD11 LEU 74 1.005 0.192 1.162 542 HD12 LEU 74 HD12 LEU 74 1.640 -0.865 -0.100 543 HD13 LEU 74 HD13 LEU 74 2.630 -0.477 1.304 544 HD21 LEU 74 HD21 LEU 74 2.867 -3.028 1.711 545 HD22 LEU 74 HD22 LEU 74 1.874 -3.258 0.269 546 HD23 LEU 74 HD23 LEU 74 1.392 -3.991 1.796 547 H LEU 75 HN LEU 75 2.354 0.612 4.901 548 HA LEU 75 HA LEU 75 4.127 1.949 3.229 549 HB2 LEU 75 HB2 LEU 75 2.640 3.090 4.802 550 HB3 LEU 75 HB1 LEU 75 3.524 2.416 6.149 551 HG LEU 75 HG LEU 75 5.517 3.735 5.471 552 HD11 LEU 75 HD11 LEU 75 5.041 3.947 3.110 553 HD12 LEU 75 HD12 LEU 75 5.287 5.521 3.860 554 HD13 LEU 75 HD13 LEU 75 3.657 4.978 3.466 555 HD21 LEU 75 HD21 LEU 75 4.666 5.893 6.179 556 HD22 LEU 75 HD22 LEU 75 3.997 4.586 7.160 557 HD23 LEU 75 HD23 LEU 75 3.013 5.347 5.905 558 H ASP 76 HN ASP 76 4.704 0.583 6.449 559 HA ASP 76 HA ASP 76 7.471 1.109 6.486 560 HB2 ASP 76 HB2 ASP 76 6.128 0.708 8.534 561 HB3 ASP 76 HB1 ASP 76 5.985 -0.988 8.084 562 H LEU 77 HN LEU 77 5.627 -1.623 5.355 563 HA LEU 77 HA LEU 77 7.725 -3.459 5.013 564 HB2 LEU 77 HB2 LEU 77 5.214 -3.904 4.898 565 HB3 LEU 77 HB1 LEU 77 5.231 -3.191 3.308 566 HG LEU 77 HG LEU 77 5.117 -5.665 3.282 567 HD11 LEU 77 HD11 LEU 77 6.030 -4.583 1.331 568 HD12 LEU 77 HD12 LEU 77 6.849 -6.117 1.628 569 HD13 LEU 77 HD13 LEU 77 7.638 -4.598 2.049 570 HD21 LEU 77 HD21 LEU 77 7.877 -5.539 4.481 571 HD22 LEU 77 HD22 LEU 77 7.083 -6.994 3.873 572 HD23 LEU 77 HD23 LEU 77 6.419 -6.146 5.267 573 H ILE 78 HN ILE 78 6.271 -1.092 2.787 574 HA ILE 78 HA ILE 78 8.207 -1.695 0.796 575 HB ILE 78 HB ILE 78 6.354 0.728 0.883 576 HG12 ILE 78 HG12 ILE 78 6.073 -1.975 -0.449 577 HG13 ILE 78 HG11 ILE 78 5.089 -1.338 0.861 578 HG21 ILE 78 HG21 ILE 78 7.919 -0.476 -1.411 579 HG22 ILE 78 HG22 ILE 78 8.283 1.054 -0.607 580 HG23 ILE 78 HG23 ILE 78 6.792 0.878 -1.533 581 HD11 ILE 78 HD11 ILE 78 4.211 0.383 -0.661 582 HD12 ILE 78 HD12 ILE 78 3.903 -1.256 -1.242 583 HD13 ILE 78 HD13 ILE 78 5.189 -0.299 -1.966 584 H ASN 79 HN ASN 79 8.023 0.535 3.429 585 HA ASN 79 HA ASN 79 10.235 2.137 2.663 586 HB2 ASN 79 HB2 ASN 79 8.988 1.563 5.331 587 HB3 ASN 79 HB1 ASN 79 10.530 2.395 5.267 588 HD21 ASN 79 HD21 ASN 79 7.916 2.811 2.930 589 HD22 ASN 79 HD22 ASN 79 7.538 4.438 3.419 590 H GLY 80 HN GLY 80 10.030 -0.874 4.471 591 HA2 GLY 80 HA2 GLY 80 12.795 -1.146 4.956 592 HA3 GLY 80 HA1 GLY 80 11.627 -2.465 4.893 593 H ALA 81 HN ALA 81 10.762 -2.004 2.251 594 HA ALA 81 HA ALA 81 12.734 -3.433 0.786 595 HB1 ALA 81 HB1 ALA 81 10.239 -2.044 -0.193 596 HB2 ALA 81 HB2 ALA 81 10.334 -3.709 0.380 597 HB3 ALA 81 HB3 ALA 81 11.178 -3.232 -1.093 598 H LEU 82 HN LEU 82 11.573 -0.093 0.708 599 HA LEU 82 HA LEU 82 13.132 0.787 -1.445 600 HB2 LEU 82 HB2 LEU 82 11.754 2.267 0.768 601 HB3 LEU 82 HB1 LEU 82 12.568 3.055 -0.567 602 HG LEU 82 HG LEU 82 10.239 1.160 -0.861 603 HD11 LEU 82 HD11 LEU 82 10.329 4.160 -1.024 604 HD12 LEU 82 HD12 LEU 82 9.565 3.213 0.248 605 HD13 LEU 82 HD13 LEU 82 8.935 3.148 -1.399 606 HD21 LEU 82 HD21 LEU 82 11.621 2.954 -2.844 607 HD22 LEU 82 HD22 LEU 82 10.179 1.990 -3.152 608 HD23 LEU 82 HD23 LEU 82 11.712 1.194 -2.790 609 H ALA 83 HN ALA 83 13.883 0.275 1.848 610 HA ALA 83 HA ALA 83 16.070 2.025 2.104 611 HB1 ALA 83 HB1 ALA 83 16.770 0.591 3.955 612 HB2 ALA 83 HB2 ALA 83 15.635 -0.653 3.431 613 HB3 ALA 83 HB3 ALA 83 15.034 0.895 4.020 614 H GLU 84 HN GLU 84 15.641 -0.833 0.292 615 HA GLU 84 HA GLU 84 18.511 -0.901 -0.367 616 HB2 GLU 84 HB2 GLU 84 16.626 -3.247 -0.144 617 HB3 GLU 84 HB1 GLU 84 18.295 -3.321 -0.683 618 HG2 GLU 84 HG2 GLU 84 19.038 -2.584 1.517 619 HG3 GLU 84 HG1 GLU 84 17.359 -2.507 2.050 620 H ALA 85 HN ALA 85 15.978 0.323 -1.542 621 HA ALA 85 HA ALA 85 15.733 -1.178 -4.039 622 HB1 ALA 85 HB1 ALA 85 13.665 -0.435 -2.974 623 HB2 ALA 85 HB2 ALA 85 13.873 0.307 -4.558 624 HB3 ALA 85 HB3 ALA 85 14.203 1.241 -3.096 625 H ALA 86 HN ALA 86 15.962 -0.131 -6.048 626 HA ALA 86 HA ALA 86 18.094 1.851 -5.961 627 HB1 ALA 86 HB1 ALA 86 18.543 1.200 -8.279 628 HB2 ALA 86 HB2 ALA 86 17.156 0.111 -8.248 629 HB3 ALA 86 HB3 ALA 86 18.551 -0.207 -7.218 630 H281 PSR 87 H28A PSR 87 -7.970 -10.662 -7.242 631 H282 PSR 87 H28B PSR 87 -7.514 -9.493 -6.011 632 H301 PSR 87 H30A PSR 87 -4.599 -9.730 -8.186 633 H302 PSR 87 H30B PSR 87 -5.662 -8.633 -7.336 634 H303 PSR 87 H30C PSR 87 -6.316 -9.680 -8.613 635 H311 PSR 87 H31A PSR 87 -5.150 -9.334 -5.227 636 H312 PSR 87 H31B PSR 87 -3.937 -10.439 -5.854 637 H313 PSR 87 H31C PSR 87 -5.195 -11.033 -4.772 638 H321 PSR 87 H32A PSR 87 -4.472 -12.115 -7.626 639 H331 PSR 87 H33A PSR 87 -6.810 -12.966 -8.436 640 H361 PSR 87 H36A PSR 87 -4.623 -12.793 -5.103 641 H371 PSR 87 H37A PSR 87 -6.170 -14.310 -3.628 642 H372 PSR 87 H37B PSR 87 -6.238 -15.237 -5.077 643 H381 PSR 87 H38A PSR 87 -4.798 -16.487 -4.067 644 H382 PSR 87 H38B PSR 87 -3.620 -15.411 -4.934 645 H411 PSR 87 H41A PSR 87 -4.606 -13.593 -2.635 646 H421 PSR 87 H42A PSR 87 -4.036 -14.629 -0.221 647 H422 PSR 87 H42B PSR 87 -2.507 -13.908 -0.816 648 H431 PSR 87 H43A PSR 87 -4.378 -12.574 0.573 649 H432 PSR 87 H43B PSR 87 -5.059 -12.415 -1.107 650 HC21 PSR 87 H2A PSR 87 -1.470 -9.823 -2.291 651 HC22 PSR 87 H2B PSR 87 -2.572 -9.447 -3.615 652 HC31 PSR 87 H3A PSR 87 -1.675 -11.319 -4.906 653 HC32 PSR 87 H3B PSR 87 -0.578 -11.711 -3.568 654 HC41 PSR 87 H4C PSR 87 -0.645 -9.123 -5.115 655 HC42 PSR 87 H4A PSR 87 0.554 -10.401 -5.300 656 HC43 PSR 87 H4B PSR 87 0.446 -9.498 -3.786 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 20.986 5.226 0.741 2 H2 MET 1 HT2 MET 1 21.897 6.639 0.944 3 H3 MET 1 HT3 MET 1 20.767 6.521 -0.320 4 HA MET 1 HA MET 1 20.109 6.462 2.536 5 HB2 MET 1 HB2 MET 1 20.916 8.682 1.859 6 HB3 MET 1 HB1 MET 1 19.814 8.677 0.491 7 HG2 MET 1 HG2 MET 1 18.966 10.079 2.274 8 HG3 MET 1 HG1 MET 1 17.910 8.692 2.017 9 HE1 MET 1 HE1 MET 1 21.384 8.692 3.842 10 HE2 MET 1 HE2 MET 1 20.912 9.009 5.510 11 HE3 MET 1 HE3 MET 1 20.710 10.260 4.285 12 H ALA 2 HN ALA 2 18.371 5.353 2.796 13 HA ALA 2 HA ALA 2 16.685 4.482 0.696 14 HB1 ALA 2 HB1 ALA 2 15.317 3.537 2.481 15 HB2 ALA 2 HB2 ALA 2 16.217 4.469 3.679 16 HB3 ALA 2 HB3 ALA 2 17.027 3.204 2.756 17 H THR 3 HN THR 3 15.482 5.931 -0.397 18 HA THR 3 HA THR 3 14.284 8.177 0.931 19 HB THR 3 HB THR 3 15.070 8.523 -1.337 20 HG1 THR 3 HG1 THR 3 12.287 8.490 -1.772 21 HG21 THR 3 HG21 THR 3 14.114 7.376 -3.307 22 HG22 THR 3 HG22 THR 3 13.174 6.339 -2.235 23 HG23 THR 3 HG23 THR 3 14.936 6.248 -2.227 24 H LEU 4 HN LEU 4 12.651 7.782 2.214 25 HA LEU 4 HA LEU 4 11.041 5.424 1.792 26 HB2 LEU 4 HB2 LEU 4 10.999 7.387 4.071 27 HB3 LEU 4 HB1 LEU 4 10.134 5.864 4.001 28 HG LEU 4 HG LEU 4 13.118 6.245 4.143 29 HD11 LEU 4 HD11 LEU 4 11.148 5.011 6.036 30 HD12 LEU 4 HD12 LEU 4 11.975 6.559 6.251 31 HD13 LEU 4 HD13 LEU 4 12.894 5.046 6.255 32 HD21 LEU 4 HD21 LEU 4 12.604 4.374 2.667 33 HD22 LEU 4 HD22 LEU 4 11.536 3.688 3.895 34 HD23 LEU 4 HD23 LEU 4 13.270 3.798 4.196 35 H LEU 5 HN LEU 5 8.797 5.433 1.863 36 HA LEU 5 HA LEU 5 7.629 7.535 0.275 37 HB2 LEU 5 HB2 LEU 5 6.341 5.111 1.522 38 HB3 LEU 5 HB1 LEU 5 5.581 6.213 0.398 39 HG LEU 5 HG LEU 5 7.914 4.422 -0.239 40 HD11 LEU 5 HD11 LEU 5 4.991 4.220 -0.961 41 HD12 LEU 5 HD12 LEU 5 5.851 3.178 0.171 42 HD13 LEU 5 HD13 LEU 5 6.274 3.159 -1.542 43 HD21 LEU 5 HD21 LEU 5 6.195 6.170 -1.983 44 HD22 LEU 5 HD22 LEU 5 7.461 5.075 -2.540 45 HD23 LEU 5 HD23 LEU 5 7.877 6.473 -1.548 46 H THR 6 HN THR 6 5.992 8.877 0.914 47 HA THR 6 HA THR 6 5.659 9.146 3.768 48 HB THR 6 HB THR 6 4.603 11.367 3.008 49 HG1 THR 6 HG1 THR 6 5.350 12.025 0.916 50 HG21 THR 6 HG21 THR 6 6.841 11.218 3.992 51 HG22 THR 6 HG22 THR 6 6.814 12.422 2.701 52 HG23 THR 6 HG23 THR 6 7.515 10.829 2.411 53 H THR 7 HN THR 7 3.455 9.395 4.585 54 HA THR 7 HA THR 7 1.650 7.507 3.742 55 HB THR 7 HB THR 7 0.878 10.084 5.103 56 HG1 THR 7 HG1 THR 7 1.738 9.283 6.940 57 HG21 THR 7 HG21 THR 7 -0.951 8.551 4.563 58 HG22 THR 7 HG22 THR 7 -0.686 8.583 6.310 59 HG23 THR 7 HG23 THR 7 -0.092 7.230 5.349 60 H ASP 8 HN ASP 8 1.849 10.927 2.923 61 HA ASP 8 HA ASP 8 -0.491 11.162 1.398 62 HB2 ASP 8 HB2 ASP 8 2.111 12.643 0.994 63 HB3 ASP 8 HB1 ASP 8 0.566 13.084 0.271 64 H ASP 9 HN ASP 9 2.748 10.187 0.423 65 HA ASP 9 HA ASP 9 2.104 10.022 -2.347 66 HB2 ASP 9 HB2 ASP 9 4.463 10.221 -1.337 67 HB3 ASP 9 HB1 ASP 9 4.331 8.505 -0.993 68 H LEU 10 HN LEU 10 2.132 7.766 0.312 69 HA LEU 10 HA LEU 10 1.453 5.413 -1.114 70 HB2 LEU 10 HB2 LEU 10 2.233 5.345 1.194 71 HB3 LEU 10 HB1 LEU 10 0.823 6.240 1.723 72 HG LEU 10 HG LEU 10 -0.572 4.289 0.926 73 HD11 LEU 10 HD11 LEU 10 2.090 2.907 0.798 74 HD12 LEU 10 HD12 LEU 10 1.013 3.249 -0.555 75 HD13 LEU 10 HD13 LEU 10 0.512 2.122 0.705 76 HD21 LEU 10 HD21 LEU 10 -0.132 4.673 3.277 77 HD22 LEU 10 HD22 LEU 10 1.395 3.799 3.156 78 HD23 LEU 10 HD23 LEU 10 -0.131 2.945 2.926 79 H ARG 11 HN ARG 11 -0.450 7.937 0.435 80 HA ARG 11 HA ARG 11 -3.047 6.994 0.231 81 HB2 ARG 11 HB2 ARG 11 -2.031 9.274 1.172 82 HB3 ARG 11 HB1 ARG 11 -2.507 9.870 -0.410 83 HG2 ARG 11 HG2 ARG 11 -4.815 8.830 0.161 84 HG3 ARG 11 HG1 ARG 11 -4.171 8.824 1.814 85 HD2 ARG 11 HD2 ARG 11 -4.612 11.209 0.023 86 HD3 ARG 11 HD1 ARG 11 -5.488 10.798 1.488 87 HE ARG 11 HE ARG 11 -2.677 11.676 1.374 88 HH11 ARG 11 HH11 ARG 11 -5.594 11.193 3.299 89 HH12 ARG 11 HH12 ARG 11 -5.150 12.317 4.505 90 HH21 ARG 11 HH21 ARG 11 -2.071 13.251 3.049 91 HH22 ARG 11 HH22 ARG 11 -3.147 13.524 4.335 92 H ARG 12 HN ARG 12 -1.159 8.822 -2.064 93 HA ARG 12 HA ARG 12 -3.021 9.192 -4.102 94 HB2 ARG 12 HB2 ARG 12 -0.047 8.718 -4.381 95 HB3 ARG 12 HB1 ARG 12 -1.078 9.447 -5.602 96 HG2 ARG 12 HG2 ARG 12 -1.437 11.356 -4.245 97 HG3 ARG 12 HG1 ARG 12 -0.669 10.586 -2.856 98 HD2 ARG 12 HD2 ARG 12 1.457 10.543 -4.110 99 HD3 ARG 12 HD1 ARG 12 0.666 11.408 -5.435 100 HE ARG 12 HE ARG 12 0.111 13.049 -3.533 101 HH11 ARG 12 HH11 ARG 12 3.238 11.350 -3.925 102 HH12 ARG 12 HH12 ARG 12 4.134 12.582 -3.182 103 HH21 ARG 12 HH21 ARG 12 1.362 14.687 -2.446 104 HH22 ARG 12 HH22 ARG 12 3.054 14.513 -2.302 105 H ALA 13 HN ALA 13 -0.637 6.589 -3.757 106 HA ALA 13 HA ALA 13 -1.443 5.190 -6.072 107 HB1 ALA 13 HB1 ALA 13 0.780 4.933 -5.078 108 HB2 ALA 13 HB2 ALA 13 -0.044 3.383 -5.266 109 HB3 ALA 13 HB3 ALA 13 0.055 4.141 -3.680 110 H LEU 14 HN LEU 14 -2.270 4.822 -2.650 111 HA LEU 14 HA LEU 14 -3.681 2.410 -2.952 112 HB2 LEU 14 HB2 LEU 14 -2.711 3.484 -0.844 113 HB3 LEU 14 HB1 LEU 14 -4.140 4.490 -0.835 114 HG LEU 14 HG LEU 14 -5.554 2.490 -0.561 115 HD11 LEU 14 HD11 LEU 14 -2.922 1.024 -0.386 116 HD12 LEU 14 HD12 LEU 14 -4.099 0.874 -1.693 117 HD13 LEU 14 HD13 LEU 14 -4.514 0.338 -0.066 118 HD21 LEU 14 HD21 LEU 14 -3.294 2.706 1.399 119 HD22 LEU 14 HD22 LEU 14 -4.876 1.979 1.718 120 HD23 LEU 14 HD23 LEU 14 -4.741 3.706 1.373 121 H VAL 15 HN VAL 15 -4.823 5.768 -2.618 122 HA VAL 15 HA VAL 15 -7.535 5.172 -2.999 123 HB VAL 15 HB VAL 15 -6.167 7.884 -3.493 124 HG11 VAL 15 HG11 VAL 15 -8.340 8.857 -3.099 125 HG12 VAL 15 HG12 VAL 15 -9.047 7.248 -2.948 126 HG13 VAL 15 HG13 VAL 15 -8.378 7.777 -4.493 127 HG21 VAL 15 HG21 VAL 15 -7.475 6.808 -0.987 128 HG22 VAL 15 HG22 VAL 15 -6.863 8.446 -1.241 129 HG23 VAL 15 HG23 VAL 15 -5.748 7.085 -1.250 130 H GLU 16 HN GLU 16 -4.979 5.413 -5.241 131 HA GLU 16 HA GLU 16 -6.385 6.079 -7.612 132 HB2 GLU 16 HB2 GLU 16 -3.839 6.047 -7.131 133 HB3 GLU 16 HB1 GLU 16 -3.933 4.336 -7.507 134 HG2 GLU 16 HG2 GLU 16 -3.209 5.543 -9.438 135 HG3 GLU 16 HG1 GLU 16 -4.838 4.922 -9.730 136 H SER 17 HN SER 17 -5.589 3.038 -5.992 137 HA SER 17 HA SER 17 -6.709 1.420 -8.068 138 HB2 SER 17 HB2 SER 17 -5.727 0.752 -5.296 139 HB3 SER 17 HB1 SER 17 -6.158 -0.465 -6.496 140 HG SER 17 HG SER 17 -4.700 0.581 -7.874 141 H ALA 18 HN ALA 18 -7.934 3.096 -5.428 142 HA ALA 18 HA ALA 18 -10.269 1.431 -5.095 143 HB1 ALA 18 HB1 ALA 18 -9.450 2.750 -3.190 144 HB2 ALA 18 HB2 ALA 18 -11.089 3.230 -3.629 145 HB3 ALA 18 HB3 ALA 18 -9.720 4.236 -4.100 146 H GLY 19 HN GLY 19 -9.524 4.636 -6.454 147 HA2 GLY 19 HA2 GLY 19 -10.423 5.064 -8.726 148 HA3 GLY 19 HA1 GLY 19 -11.911 4.320 -8.147 149 H GLU 20 HN GLU 20 -11.479 5.637 -5.541 150 HA GLU 20 HA GLU 20 -12.682 7.116 -4.508 151 HB2 GLU 20 HB2 GLU 20 -11.846 9.421 -4.504 152 HB3 GLU 20 HB1 GLU 20 -10.561 8.248 -4.396 153 HG2 GLU 20 HG2 GLU 20 -9.879 8.686 -6.651 154 HG3 GLU 20 HG1 GLU 20 -11.317 9.670 -6.944 155 H THR 21 HN THR 21 -14.397 6.297 -5.880 156 HA THR 21 HA THR 21 -15.946 8.635 -6.546 157 HB THR 21 HB THR 21 -14.847 8.113 -8.710 158 HG1 THR 21 HG1 THR 21 -17.636 7.555 -8.732 159 HG21 THR 21 HG21 THR 21 -14.604 5.715 -8.456 160 HG22 THR 21 HG22 THR 21 -15.465 6.093 -9.948 161 HG23 THR 21 HG23 THR 21 -16.353 5.509 -8.539 162 H ASP 22 HN ASP 22 -15.869 6.236 -4.688 163 HA ASP 22 HA ASP 22 -18.674 5.484 -5.131 164 HB2 ASP 22 HB2 ASP 22 -16.501 4.101 -3.537 165 HB3 ASP 22 HB1 ASP 22 -18.204 3.741 -3.284 166 H GLY 23 HN GLY 23 -16.394 6.852 -2.947 167 HA2 GLY 23 HA2 GLY 23 -17.243 8.773 -1.666 168 HA3 GLY 23 HA1 GLY 23 -18.601 7.730 -1.213 169 H THR 24 HN THR 24 -18.042 5.678 -0.236 170 HA THR 24 HA THR 24 -15.855 6.016 1.615 171 HB THR 24 HB THR 24 -17.799 3.692 1.503 172 HG1 THR 24 HG1 THR 24 -19.051 5.512 1.726 173 HG21 THR 24 HG21 THR 24 -16.161 4.911 3.744 174 HG22 THR 24 HG22 THR 24 -15.789 3.405 2.905 175 HG23 THR 24 HG23 THR 24 -17.241 3.525 3.896 176 H ASP 25 HN ASP 25 -14.631 5.901 -0.497 177 HA ASP 25 HA ASP 25 -13.962 3.289 -1.498 178 HB2 ASP 25 HB2 ASP 25 -12.450 5.929 -1.695 179 HB3 ASP 25 HB1 ASP 25 -12.106 4.488 -2.637 180 H LEU 26 HN LEU 26 -12.571 5.738 0.514 181 HA LEU 26 HA LEU 26 -11.863 4.307 2.684 182 HB2 LEU 26 HB2 LEU 26 -9.396 4.202 2.645 183 HB3 LEU 26 HB1 LEU 26 -10.018 3.246 1.337 184 HG LEU 26 HG LEU 26 -8.711 5.979 1.039 185 HD11 LEU 26 HD11 LEU 26 -6.860 4.752 0.115 186 HD12 LEU 26 HD12 LEU 26 -7.678 3.233 0.479 187 HD13 LEU 26 HD13 LEU 26 -7.172 4.299 1.791 188 HD21 LEU 26 HD21 LEU 26 -9.483 3.948 -1.063 189 HD22 LEU 26 HD22 LEU 26 -8.666 5.484 -1.349 190 HD23 LEU 26 HD23 LEU 26 -10.336 5.462 -0.779 191 H SER 27 HN SER 27 -10.474 6.730 0.646 192 HA SER 27 HA SER 27 -10.443 8.974 0.590 193 HB2 SER 27 HB2 SER 27 -12.930 8.763 2.146 194 HB3 SER 27 HB1 SER 27 -12.482 10.068 1.047 195 HG SER 27 HG SER 27 -13.954 8.236 0.314 196 H GLY 28 HN GLY 28 -8.942 10.027 1.498 197 HA2 GLY 28 HA2 GLY 28 -8.240 11.661 3.028 198 HA3 GLY 28 HA1 GLY 28 -9.481 11.089 4.145 199 H ASP 29 HN ASP 29 -8.869 9.860 5.782 200 HA ASP 29 HA ASP 29 -6.156 8.801 5.627 201 HB2 ASP 29 HB2 ASP 29 -6.426 10.447 7.426 202 HB3 ASP 29 HB1 ASP 29 -7.727 9.483 8.119 203 H PHE 30 HN PHE 30 -5.730 6.853 6.417 204 HA PHE 30 HA PHE 30 -7.850 4.865 6.828 205 HB2 PHE 30 HB2 PHE 30 -7.134 3.624 4.698 206 HB3 PHE 30 HB1 PHE 30 -7.848 5.186 4.437 207 HD1 PHE 30 HD1 PHE 30 -4.444 3.785 4.951 208 HD2 PHE 30 HD2 PHE 30 -6.842 6.656 2.943 209 HE1 PHE 30 HE1 PHE 30 -2.526 4.482 3.614 210 HE2 PHE 30 HE2 PHE 30 -4.899 7.352 1.606 211 HZ PHE 30 HZ PHE 30 -2.735 6.500 2.114 212 H LEU 31 HN LEU 31 -4.872 6.100 7.525 213 HA LEU 31 HA LEU 31 -3.007 4.186 6.914 214 HB2 LEU 31 HB2 LEU 31 -2.569 6.508 7.318 215 HB3 LEU 31 HB1 LEU 31 -2.908 6.320 9.030 216 HG LEU 31 HG LEU 31 -0.942 4.804 9.208 217 HD11 LEU 31 HD11 LEU 31 -0.499 5.605 6.332 218 HD12 LEU 31 HD12 LEU 31 -0.886 3.988 6.922 219 HD13 LEU 31 HD13 LEU 31 0.653 4.735 7.342 220 HD21 LEU 31 HD21 LEU 31 -0.732 7.180 9.718 221 HD22 LEU 31 HD22 LEU 31 -0.381 7.521 8.023 222 HD23 LEU 31 HD23 LEU 31 0.745 6.560 8.982 223 H ASP 32 HN ASP 32 -4.689 4.562 10.043 224 HA ASP 32 HA ASP 32 -3.404 2.073 10.918 225 HB2 ASP 32 HB2 ASP 32 -4.909 4.174 12.475 226 HB3 ASP 32 HB1 ASP 32 -4.469 2.620 13.164 227 H LEU 33 HN LEU 33 -5.948 2.695 9.173 228 HA LEU 33 HA LEU 33 -7.818 1.008 10.607 229 HB2 LEU 33 HB2 LEU 33 -8.026 2.432 7.939 230 HB3 LEU 33 HB1 LEU 33 -9.246 1.330 8.523 231 HG LEU 33 HG LEU 33 -9.600 2.881 10.478 232 HD11 LEU 33 HD11 LEU 33 -8.840 5.188 10.308 233 HD12 LEU 33 HD12 LEU 33 -7.874 4.769 8.893 234 HD13 LEU 33 HD13 LEU 33 -7.487 4.065 10.463 235 HD21 LEU 33 HD21 LEU 33 -10.899 4.511 9.201 236 HD22 LEU 33 HD22 LEU 33 -11.103 2.874 8.580 237 HD23 LEU 33 HD23 LEU 33 -10.065 4.017 7.728 238 H ARG 34 HN ARG 34 -8.378 -1.026 9.888 239 HA ARG 34 HA ARG 34 -6.278 -2.446 8.495 240 HB2 ARG 34 HB2 ARG 34 -8.030 -3.203 10.385 241 HB3 ARG 34 HB1 ARG 34 -9.003 -3.611 8.992 242 HG2 ARG 34 HG2 ARG 34 -6.250 -4.719 9.547 243 HG3 ARG 34 HG1 ARG 34 -7.749 -5.511 9.992 244 HD2 ARG 34 HD2 ARG 34 -8.339 -5.736 7.632 245 HD3 ARG 34 HD1 ARG 34 -6.867 -4.865 7.174 246 HE ARG 34 HE ARG 34 -6.093 -6.966 8.785 247 HH11 ARG 34 HH11 ARG 34 -7.651 -6.823 5.491 248 HH12 ARG 34 HH12 ARG 34 -6.912 -8.265 5.067 249 HH21 ARG 34 HH21 ARG 34 -5.150 -8.831 8.049 250 HH22 ARG 34 HH22 ARG 34 -5.488 -9.468 6.501 251 H PHE 35 HN PHE 35 -6.389 -3.171 6.346 252 HA PHE 35 HA PHE 35 -7.782 -1.811 4.401 253 HB2 PHE 35 HB2 PHE 35 -6.809 -4.672 4.306 254 HB3 PHE 35 HB1 PHE 35 -7.419 -3.808 2.901 255 HD1 PHE 35 HD2 PHE 35 -6.204 -1.682 2.198 256 HD2 PHE 35 HD1 PHE 35 -4.596 -4.481 4.966 257 HE1 PHE 35 HE2 PHE 35 -3.961 -0.755 1.823 258 HE2 PHE 35 HE1 PHE 35 -2.347 -3.555 4.600 259 HZ PHE 35 HZ PHE 35 -2.023 -1.749 2.918 260 H GLU 36 HN GLU 36 -8.841 -4.544 6.202 261 HA GLU 36 HA GLU 36 -11.123 -5.416 5.042 262 HB2 GLU 36 HB2 GLU 36 -9.977 -6.429 6.881 263 HB3 GLU 36 HB1 GLU 36 -10.292 -5.041 7.899 264 HG2 GLU 36 HG2 GLU 36 -12.604 -5.545 7.920 265 HG3 GLU 36 HG1 GLU 36 -12.342 -6.887 6.791 266 H ASP 37 HN ASP 37 -10.648 -2.600 7.195 267 HA ASP 37 HA ASP 37 -13.484 -2.061 7.291 268 HB2 ASP 37 HB2 ASP 37 -11.118 -0.694 8.563 269 HB3 ASP 37 HB1 ASP 37 -12.758 -0.073 8.687 270 H ILE 38 HN ILE 38 -10.805 -1.139 5.410 271 HA ILE 38 HA ILE 38 -12.249 1.241 4.546 272 HB ILE 38 HB ILE 38 -10.252 1.876 3.208 273 HG12 ILE 38 HG12 ILE 38 -8.906 -0.474 4.585 274 HG13 ILE 38 HG11 ILE 38 -9.272 -0.405 2.871 275 HG21 ILE 38 HG21 ILE 38 -9.750 1.417 6.139 276 HG22 ILE 38 HG22 ILE 38 -10.571 2.797 5.412 277 HG23 ILE 38 HG23 ILE 38 -8.852 2.535 5.111 278 HD11 ILE 38 HD11 ILE 38 -6.933 0.052 3.286 279 HD12 ILE 38 HD12 ILE 38 -7.362 1.399 4.346 280 HD13 ILE 38 HD13 ILE 38 -7.728 1.480 2.624 281 H GLY 39 HN GLY 39 -12.770 -1.650 3.910 282 HA2 GLY 39 HA2 GLY 39 -13.864 -2.688 2.181 283 HA3 GLY 39 HA1 GLY 39 -13.901 -1.130 1.373 284 H TYR 40 HN TYR 40 -10.863 -2.575 2.296 285 HA TYR 40 HA TYR 40 -10.351 -3.003 -0.507 286 HB2 TYR 40 HB2 TYR 40 -8.493 -2.545 1.842 287 HB3 TYR 40 HB1 TYR 40 -7.947 -3.364 0.422 288 HD1 TYR 40 HD2 TYR 40 -10.146 -0.412 0.928 289 HD2 TYR 40 HD1 TYR 40 -6.651 -1.979 -0.893 290 HE1 TYR 40 HE2 TYR 40 -9.753 1.746 -0.169 291 HE2 TYR 40 HE1 TYR 40 -6.250 0.173 -1.998 292 HH TYR 40 HH TYR 40 -8.080 3.017 -1.239 293 H ASP 41 HN ASP 41 -10.651 -4.857 -1.261 294 HA ASP 41 HA ASP 41 -11.054 -7.098 0.477 295 HB2 ASP 41 HB2 ASP 41 -11.796 -8.217 -1.589 296 HB3 ASP 41 HB1 ASP 41 -12.644 -6.690 -1.345 297 H SER 42 HN SER 42 -9.051 -6.283 -2.292 298 HA SER 42 HA SER 42 -6.647 -7.398 -1.357 299 HB2 SER 42 HB2 SER 42 -6.596 -9.437 -2.825 300 HB3 SER 42 HB1 SER 42 -7.674 -9.543 -1.426 301 H LEU 43 HN LEU 43 -8.596 -7.143 -4.344 302 HA LEU 43 HA LEU 43 -6.368 -6.944 -6.066 303 HB2 LEU 43 HB2 LEU 43 -8.781 -7.553 -6.656 304 HB3 LEU 43 HB1 LEU 43 -9.111 -5.840 -6.674 305 HG LEU 43 HG LEU 43 -7.103 -7.172 -8.507 306 HD11 LEU 43 HD11 LEU 43 -9.980 -6.466 -9.010 307 HD12 LEU 43 HD12 LEU 43 -9.310 -8.088 -8.881 308 HD13 LEU 43 HD13 LEU 43 -8.836 -7.040 -10.222 309 HD21 LEU 43 HD21 LEU 43 -8.470 -4.471 -8.675 310 HD22 LEU 43 HD22 LEU 43 -7.353 -5.143 -9.867 311 HD23 LEU 43 HD23 LEU 43 -6.778 -4.739 -8.255 312 H ALA 44 HN ALA 44 -8.498 -4.394 -4.825 313 HA ALA 44 HA ALA 44 -7.126 -2.236 -5.901 314 HB1 ALA 44 HB1 ALA 44 -8.152 -0.886 -4.133 315 HB2 ALA 44 HB2 ALA 44 -8.558 -2.355 -3.241 316 HB3 ALA 44 HB3 ALA 44 -9.307 -2.038 -4.804 317 H LEU 45 HN LEU 45 -6.489 -4.050 -2.978 318 HA LEU 45 HA LEU 45 -4.449 -2.383 -1.925 319 HB2 LEU 45 HB2 LEU 45 -5.744 -4.205 -0.712 320 HB3 LEU 45 HB1 LEU 45 -4.771 -5.376 -1.563 321 HG LEU 45 HG LEU 45 -3.719 -3.367 0.457 322 HD11 LEU 45 HD11 LEU 45 -3.430 -5.271 1.878 323 HD12 LEU 45 HD12 LEU 45 -4.222 -6.310 0.684 324 HD13 LEU 45 HD13 LEU 45 -5.134 -5.019 1.489 325 HD21 LEU 45 HD21 LEU 45 -2.377 -5.728 -0.830 326 HD22 LEU 45 HD22 LEU 45 -1.698 -4.714 0.459 327 HD23 LEU 45 HD23 LEU 45 -2.009 -4.028 -1.146 328 H MET 46 HN MET 46 -4.351 -5.358 -3.868 329 HA MET 46 HA MET 46 -1.534 -5.421 -4.035 330 HB2 MET 46 HB2 MET 46 -1.773 -7.260 -5.595 331 HB3 MET 46 HB1 MET 46 -2.906 -7.452 -4.273 332 HG2 MET 46 HG2 MET 46 -4.208 -8.043 -6.095 333 HG3 MET 46 HG1 MET 46 -4.564 -6.318 -5.876 334 HE1 MET 46 HE1 MET 46 -2.486 -8.925 -7.978 335 HE2 MET 46 HE2 MET 46 -1.255 -7.787 -7.433 336 HE3 MET 46 HE3 MET 46 -1.682 -7.872 -9.142 337 H GLU 47 HN GLU 47 -3.948 -3.911 -6.079 338 HA GLU 47 HA GLU 47 -2.223 -3.423 -8.260 339 HB2 GLU 47 HB2 GLU 47 -4.710 -3.251 -8.360 340 HB3 GLU 47 HB1 GLU 47 -4.615 -1.798 -7.374 341 HG2 GLU 47 HG2 GLU 47 -3.202 -0.776 -9.135 342 HG3 GLU 47 HG1 GLU 47 -3.520 -2.183 -10.144 343 H THR 48 HN THR 48 -3.010 -1.649 -5.329 344 HA THR 48 HA THR 48 -1.512 0.679 -5.762 345 HB THR 48 HB THR 48 -2.159 -0.824 -3.219 346 HG1 THR 48 HG1 THR 48 -3.764 0.333 -4.841 347 HG21 THR 48 HG21 THR 48 -1.218 2.034 -3.578 348 HG22 THR 48 HG22 THR 48 -0.286 0.716 -2.865 349 HG23 THR 48 HG23 THR 48 -1.740 1.304 -2.056 350 H ALA 49 HN ALA 49 -0.734 -2.355 -4.067 351 HA ALA 49 HA ALA 49 1.914 -1.864 -3.438 352 HB1 ALA 49 HB1 ALA 49 0.664 -4.499 -4.217 353 HB2 ALA 49 HB2 ALA 49 0.699 -3.835 -2.581 354 HB3 ALA 49 HB3 ALA 49 2.199 -4.297 -3.393 355 H ALA 50 HN ALA 50 0.562 -3.419 -6.329 356 HA ALA 50 HA ALA 50 2.948 -4.034 -7.617 357 HB1 ALA 50 HB1 ALA 50 0.310 -3.376 -8.919 358 HB2 ALA 50 HB2 ALA 50 0.772 -4.954 -8.277 359 HB3 ALA 50 HB3 ALA 50 1.646 -4.269 -9.648 360 H ARG 51 HN ARG 51 1.072 -1.056 -7.663 361 HA ARG 51 HA ARG 51 2.474 0.210 -9.757 362 HB2 ARG 51 HB2 ARG 51 0.321 1.059 -8.772 363 HB3 ARG 51 HB1 ARG 51 1.229 1.571 -7.355 364 HG2 ARG 51 HG2 ARG 51 2.621 3.008 -8.827 365 HG3 ARG 51 HG1 ARG 51 1.574 2.571 -10.173 366 HD2 ARG 51 HD2 ARG 51 -0.346 3.482 -8.842 367 HD3 ARG 51 HD1 ARG 51 0.838 4.083 -7.679 368 HE ARG 51 HE ARG 51 0.872 4.843 -10.509 369 HH11 ARG 51 HH11 ARG 51 1.149 5.803 -7.075 370 HH12 ARG 51 HH12 ARG 51 1.256 7.443 -7.426 371 HH21 ARG 51 HH21 ARG 51 1.074 7.164 -10.951 372 HH22 ARG 51 HH22 ARG 51 1.252 8.240 -9.659 373 H LEU 52 HN LEU 52 2.823 0.406 -6.248 374 HA LEU 52 HA LEU 52 5.082 2.095 -6.333 375 HB2 LEU 52 HB2 LEU 52 4.044 0.346 -4.119 376 HB3 LEU 52 HB1 LEU 52 5.326 1.529 -3.926 377 HG LEU 52 HG LEU 52 2.483 2.163 -4.730 378 HD11 LEU 52 HD11 LEU 52 2.651 1.469 -2.400 379 HD12 LEU 52 HD12 LEU 52 2.324 3.201 -2.528 380 HD13 LEU 52 HD13 LEU 52 3.950 2.636 -2.146 381 HD21 LEU 52 HD21 LEU 52 3.166 4.495 -4.428 382 HD22 LEU 52 HD22 LEU 52 4.090 3.704 -5.704 383 HD23 LEU 52 HD23 LEU 52 4.822 3.966 -4.121 384 H GLU 53 HN GLU 53 4.742 -1.390 -6.134 385 HA GLU 53 HA GLU 53 7.396 -2.109 -5.710 386 HB2 GLU 53 HB2 GLU 53 5.325 -3.478 -7.431 387 HB3 GLU 53 HB1 GLU 53 6.863 -4.189 -6.979 388 HG2 GLU 53 HG2 GLU 53 6.137 -4.038 -4.587 389 HG3 GLU 53 HG1 GLU 53 4.596 -3.445 -5.178 390 H SER 54 HN SER 54 5.663 -1.828 -8.764 391 HA SER 54 HA SER 54 7.905 -2.176 -10.451 392 HB2 SER 54 HB2 SER 54 5.326 -0.748 -11.110 393 HB3 SER 54 HB1 SER 54 6.431 -1.534 -12.241 394 HG SER 54 HG SER 54 4.605 -2.625 -10.449 395 H ARG 55 HN ARG 55 6.555 0.637 -8.932 396 HA ARG 55 HA ARG 55 7.628 2.696 -10.513 397 HB2 ARG 55 HB2 ARG 55 5.832 2.690 -8.608 398 HB3 ARG 55 HB1 ARG 55 7.196 2.902 -7.539 399 HG2 ARG 55 HG2 ARG 55 6.407 4.801 -9.749 400 HG3 ARG 55 HG1 ARG 55 5.971 4.981 -8.058 401 HD2 ARG 55 HD2 ARG 55 8.408 5.119 -7.526 402 HD3 ARG 55 HD1 ARG 55 8.735 5.096 -9.259 403 HE ARG 55 HE ARG 55 6.838 7.080 -8.612 404 HH11 ARG 55 HH11 ARG 55 10.368 6.526 -8.521 405 HH12 ARG 55 HH12 ARG 55 10.733 8.182 -8.480 406 HH21 ARG 55 HH21 ARG 55 7.374 9.296 -8.583 407 HH22 ARG 55 HH22 ARG 55 9.004 9.812 -8.545 408 H TYR 56 HN TYR 56 8.869 1.047 -7.615 409 HA TYR 56 HA TYR 56 11.360 2.560 -7.920 410 HB2 TYR 56 HB2 TYR 56 10.320 0.999 -5.553 411 HB3 TYR 56 HB1 TYR 56 11.878 1.832 -5.598 412 HD1 TYR 56 HD2 TYR 56 11.947 4.297 -5.804 413 HD2 TYR 56 HD1 TYR 56 8.290 2.218 -5.211 414 HE1 TYR 56 HE2 TYR 56 10.857 6.405 -5.194 415 HE2 TYR 56 HE1 TYR 56 7.184 4.318 -4.603 416 HH TYR 56 HH TYR 56 7.766 6.540 -3.797 417 H GLY 57 HN GLY 57 10.091 -0.567 -8.360 418 HA2 GLY 57 HA2 GLY 57 11.204 -2.227 -9.576 419 HA3 GLY 57 HA1 GLY 57 12.740 -1.474 -9.163 420 H VAL 58 HN VAL 58 10.140 -2.289 -6.959 421 HA VAL 58 HA VAL 58 11.950 -4.186 -5.657 422 HB VAL 58 HB VAL 58 10.865 -3.658 -3.483 423 HG11 VAL 58 HG11 VAL 58 12.049 -1.264 -4.876 424 HG12 VAL 58 HG12 VAL 58 12.942 -2.549 -4.062 425 HG13 VAL 58 HG13 VAL 58 11.906 -1.470 -3.129 426 HG21 VAL 58 HG21 VAL 58 8.707 -2.850 -4.307 427 HG22 VAL 58 HG22 VAL 58 9.498 -1.436 -5.009 428 HG23 VAL 58 HG23 VAL 58 9.466 -1.650 -3.259 429 H SER 59 HN SER 59 10.472 -5.640 -4.038 430 HA SER 59 HA SER 59 8.125 -6.503 -5.579 431 HB2 SER 59 HB2 SER 59 10.254 -8.386 -4.545 432 HB3 SER 59 HB1 SER 59 8.863 -8.786 -5.551 433 HG SER 59 HG SER 59 9.853 -7.316 -7.146 434 H ILE 60 HN ILE 60 6.468 -6.816 -4.250 435 HA ILE 60 HA ILE 60 6.945 -7.219 -1.374 436 HB ILE 60 HB ILE 60 4.422 -6.423 -2.865 437 HG12 ILE 60 HG12 ILE 60 6.148 -4.847 -0.961 438 HG13 ILE 60 HG11 ILE 60 6.142 -4.662 -2.717 439 HG21 ILE 60 HG21 ILE 60 4.833 -6.730 0.115 440 HG22 ILE 60 HG22 ILE 60 3.835 -7.764 -0.906 441 HG23 ILE 60 HG23 ILE 60 3.391 -6.077 -0.661 442 HD11 ILE 60 HD11 ILE 60 3.834 -4.145 -0.864 443 HD12 ILE 60 HD12 ILE 60 3.815 -3.960 -2.622 444 HD13 ILE 60 HD13 ILE 60 4.857 -2.932 -1.633 445 HA PRO 61 HA PRO 61 5.820 -11.516 -2.027 446 HB2 PRO 61 HB2 PRO 61 5.344 -11.427 0.904 447 HB3 PRO 61 HB1 PRO 61 6.405 -12.501 -0.022 448 HG2 PRO 61 HG2 PRO 61 7.414 -10.559 1.494 449 HG3 PRO 61 HG1 PRO 61 8.128 -10.943 -0.086 450 HD2 PRO 61 HD2 PRO 61 6.291 -8.704 0.672 451 HD3 PRO 61 HD1 PRO 61 7.729 -8.675 -0.375 452 H ASP 62 HN ASP 62 3.880 -12.089 -2.674 453 HA ASP 62 HA ASP 62 1.510 -10.647 -2.197 454 HB2 ASP 62 HB2 ASP 62 0.282 -12.567 -3.246 455 HB3 ASP 62 HB1 ASP 62 1.611 -11.949 -4.211 456 H ASP 63 HN ASP 63 2.876 -13.310 -0.515 457 HA ASP 63 HA ASP 63 0.537 -13.971 0.978 458 HB2 ASP 63 HB2 ASP 63 2.521 -15.494 0.658 459 HB3 ASP 63 HB1 ASP 63 3.418 -14.458 1.761 460 H VAL 64 HN VAL 64 3.198 -11.738 1.358 461 HA VAL 64 HA VAL 64 2.491 -11.078 4.054 462 HB VAL 64 HB VAL 64 4.484 -9.709 2.199 463 HG11 VAL 64 HG11 VAL 64 4.105 -9.373 5.176 464 HG12 VAL 64 HG12 VAL 64 3.708 -8.178 3.944 465 HG13 VAL 64 HG13 VAL 64 5.389 -8.643 4.209 466 HG21 VAL 64 HG21 VAL 64 6.185 -10.850 3.537 467 HG22 VAL 64 HG22 VAL 64 5.116 -11.997 2.729 468 HG23 VAL 64 HG23 VAL 64 4.915 -11.665 4.450 469 H ALA 65 HN ALA 65 1.759 -9.883 0.866 470 HA ALA 65 HA ALA 65 0.672 -7.407 1.655 471 HB1 ALA 65 HB1 ALA 65 -0.188 -9.096 -0.717 472 HB2 ALA 65 HB2 ALA 65 1.146 -7.936 -0.712 473 HB3 ALA 65 HB3 ALA 65 -0.499 -7.374 -0.498 474 H GLY 66 HN GLY 66 -0.532 -10.620 2.016 475 HA2 GLY 66 HA2 GLY 66 -3.147 -9.592 2.883 476 HA3 GLY 66 HA1 GLY 66 -2.759 -11.286 2.597 477 H ARG 67 HN ARG 67 -0.228 -9.983 4.131 478 HA ARG 67 HA ARG 67 -1.090 -10.998 6.731 479 HB2 ARG 67 HB2 ARG 67 0.896 -11.972 5.570 480 HB3 ARG 67 HB1 ARG 67 1.728 -10.448 5.675 481 HG2 ARG 67 HG2 ARG 67 0.789 -11.557 8.246 482 HG3 ARG 67 HG1 ARG 67 1.976 -12.537 7.393 483 HD2 ARG 67 HD2 ARG 67 3.233 -11.161 8.823 484 HD3 ARG 67 HD1 ARG 67 3.378 -10.412 7.241 485 HE ARG 67 HE ARG 67 1.223 -9.324 8.712 486 HH11 ARG 67 HH11 ARG 67 4.782 -9.128 8.372 487 HH12 ARG 67 HH12 ARG 67 4.889 -7.608 9.131 488 HH21 ARG 67 HH21 ARG 67 1.416 -7.267 9.794 489 HH22 ARG 67 HH22 ARG 67 2.942 -6.533 9.965 490 H VAL 68 HN VAL 68 -0.199 -8.195 4.988 491 HA VAL 68 HA VAL 68 0.196 -6.560 7.316 492 HB VAL 68 HB VAL 68 0.281 -4.645 5.726 493 HG11 VAL 68 HG11 VAL 68 1.937 -6.978 4.815 494 HG12 VAL 68 HG12 VAL 68 2.314 -5.882 6.143 495 HG13 VAL 68 HG13 VAL 68 2.278 -5.279 4.487 496 HG21 VAL 68 HG21 VAL 68 -0.275 -6.689 3.573 497 HG22 VAL 68 HG22 VAL 68 0.182 -5.006 3.304 498 HG23 VAL 68 HG23 VAL 68 -1.358 -5.389 4.076 499 H ASP 69 HN ASP 69 -1.361 -5.644 8.470 500 HA ASP 69 HA ASP 69 -4.088 -6.054 7.560 501 HB2 ASP 69 HB2 ASP 69 -2.932 -5.361 10.256 502 HB3 ASP 69 HB1 ASP 69 -4.656 -5.283 9.924 503 H THR 70 HN THR 70 -1.994 -3.465 8.710 504 HA THR 70 HA THR 70 -4.028 -1.587 7.803 505 HB THR 70 HB THR 70 -2.693 0.075 9.113 506 HG1 THR 70 HG1 THR 70 -1.311 -1.141 10.739 507 HG21 THR 70 HG21 THR 70 -3.649 -2.355 10.635 508 HG22 THR 70 HG22 THR 70 -4.661 -1.019 10.083 509 HG23 THR 70 HG23 THR 70 -3.425 -0.742 11.310 510 HA PRO 71 HA PRO 71 -1.552 -0.273 4.335 511 HB2 PRO 71 HB2 PRO 71 -2.347 2.474 5.201 512 HB3 PRO 71 HB1 PRO 71 -2.499 1.710 3.608 513 HG2 PRO 71 HG2 PRO 71 -4.658 1.973 5.103 514 HG3 PRO 71 HG1 PRO 71 -4.349 0.442 4.259 515 HD2 PRO 71 HD2 PRO 71 -3.866 1.136 7.129 516 HD3 PRO 71 HD1 PRO 71 -4.630 -0.311 6.430 517 H ARG 72 HN ARG 72 -1.282 1.291 7.481 518 HA ARG 72 HA ARG 72 1.177 2.565 7.274 519 HB2 ARG 72 HB2 ARG 72 -0.219 2.685 9.293 520 HB3 ARG 72 HB1 ARG 72 0.104 0.988 9.633 521 HG2 ARG 72 HG2 ARG 72 2.482 1.499 9.901 522 HG3 ARG 72 HG1 ARG 72 2.150 3.195 9.579 523 HD2 ARG 72 HD2 ARG 72 1.078 1.578 11.888 524 HD3 ARG 72 HD1 ARG 72 2.381 2.760 11.967 525 HE ARG 72 HE ARG 72 -0.450 3.262 11.950 526 HH11 ARG 72 HH11 ARG 72 2.579 4.776 10.867 527 HH12 ARG 72 HH12 ARG 72 2.087 6.339 11.277 528 HH21 ARG 72 HH21 ARG 72 -1.088 5.413 12.535 529 HH22 ARG 72 HH22 ARG 72 -0.037 6.726 12.240 530 H GLU 73 HN GLU 73 0.454 -0.802 7.985 531 HA GLU 73 HA GLU 73 3.096 -1.700 8.378 532 HB2 GLU 73 HB2 GLU 73 1.009 -2.845 9.103 533 HB3 GLU 73 HB1 GLU 73 0.686 -3.239 7.422 534 HG2 GLU 73 HG2 GLU 73 1.620 -5.136 8.497 535 HG3 GLU 73 HG1 GLU 73 2.807 -4.485 7.363 536 H LEU 74 HN LEU 74 0.938 -1.646 5.607 537 HA LEU 74 HA LEU 74 2.645 -3.004 3.806 538 HB2 LEU 74 HB2 LEU 74 0.144 -2.710 3.597 539 HB3 LEU 74 HB1 LEU 74 0.409 -1.037 3.198 540 HG LEU 74 HG LEU 74 -0.192 -2.594 1.299 541 HD11 LEU 74 HD11 LEU 74 2.408 -1.085 1.022 542 HD12 LEU 74 HD12 LEU 74 0.787 -0.412 0.844 543 HD13 LEU 74 HD13 LEU 74 1.375 -1.610 -0.309 544 HD21 LEU 74 HD21 LEU 74 1.155 -4.508 1.928 545 HD22 LEU 74 HD22 LEU 74 2.632 -3.569 1.710 546 HD23 LEU 74 HD23 LEU 74 1.614 -3.945 0.320 547 H LEU 75 HN LEU 75 2.144 0.405 4.542 548 HA LEU 75 HA LEU 75 3.871 1.610 2.723 549 HB2 LEU 75 HB2 LEU 75 2.326 2.849 4.172 550 HB3 LEU 75 HB1 LEU 75 3.244 2.366 5.579 551 HG LEU 75 HG LEU 75 5.164 3.700 4.750 552 HD11 LEU 75 HD11 LEU 75 3.226 4.586 2.626 553 HD12 LEU 75 HD12 LEU 75 4.683 3.624 2.377 554 HD13 LEU 75 HD13 LEU 75 4.814 5.291 2.935 555 HD21 LEU 75 HD21 LEU 75 3.586 4.655 6.343 556 HD22 LEU 75 HD22 LEU 75 2.572 5.220 5.015 557 HD23 LEU 75 HD23 LEU 75 4.189 5.886 5.235 558 H ASP 76 HN ASP 76 4.509 0.543 6.052 559 HA ASP 76 HA ASP 76 7.261 1.142 6.040 560 HB2 ASP 76 HB2 ASP 76 5.952 0.848 8.110 561 HB3 ASP 76 HB1 ASP 76 5.806 -0.870 7.763 562 H LEU 77 HN LEU 77 5.492 -1.694 5.071 563 HA LEU 77 HA LEU 77 7.646 -3.484 4.826 564 HB2 LEU 77 HB2 LEU 77 5.156 -4.021 4.677 565 HB3 LEU 77 HB1 LEU 77 5.173 -3.355 3.065 566 HG LEU 77 HG LEU 77 5.140 -5.836 3.127 567 HD11 LEU 77 HD11 LEU 77 7.637 -4.729 1.881 568 HD12 LEU 77 HD12 LEU 77 6.035 -4.792 1.148 569 HD13 LEU 77 HD13 LEU 77 6.896 -6.287 1.507 570 HD21 LEU 77 HD21 LEU 77 6.429 -6.205 5.135 571 HD22 LEU 77 HD22 LEU 77 7.878 -5.570 4.354 572 HD23 LEU 77 HD23 LEU 77 7.150 -7.071 3.779 573 H ILE 78 HN ILE 78 6.228 -1.158 2.545 574 HA ILE 78 HA ILE 78 8.152 -1.751 0.533 575 HB ILE 78 HB ILE 78 6.373 0.714 0.731 576 HG12 ILE 78 HG12 ILE 78 6.016 -1.929 -0.688 577 HG13 ILE 78 HG11 ILE 78 5.059 -1.310 0.649 578 HG21 ILE 78 HG21 ILE 78 7.899 -0.415 -1.639 579 HG22 ILE 78 HG22 ILE 78 8.303 1.062 -0.764 580 HG23 ILE 78 HG23 ILE 78 6.803 0.967 -1.685 581 HD11 ILE 78 HD11 ILE 78 4.215 0.480 -0.819 582 HD12 ILE 78 HD12 ILE 78 3.859 -1.142 -1.431 583 HD13 ILE 78 HD13 ILE 78 5.165 -0.212 -2.144 584 H ASN 79 HN ASN 79 7.961 0.446 3.186 585 HA ASN 79 HA ASN 79 10.186 2.053 2.467 586 HB2 ASN 79 HB2 ASN 79 8.914 1.484 5.145 587 HB3 ASN 79 HB1 ASN 79 10.392 2.419 5.045 588 HD21 ASN 79 HD21 ASN 79 7.765 2.594 2.681 589 HD22 ASN 79 HD22 ASN 79 7.265 4.197 3.109 590 H GLY 80 HN GLY 80 9.934 -1.044 4.038 591 HA2 GLY 80 HA2 GLY 80 12.677 -1.330 4.711 592 HA3 GLY 80 HA1 GLY 80 11.519 -2.645 4.506 593 H ALA 81 HN ALA 81 10.765 -2.064 1.872 594 HA ALA 81 HA ALA 81 12.871 -3.301 0.405 595 HB1 ALA 81 HB1 ALA 81 10.296 -2.046 -0.579 596 HB2 ALA 81 HB2 ALA 81 10.499 -3.729 -0.101 597 HB3 ALA 81 HB3 ALA 81 11.347 -3.104 -1.516 598 H LEU 82 HN LEU 82 11.871 -0.049 0.970 599 HA LEU 82 HA LEU 82 13.367 1.109 -1.162 600 HB2 LEU 82 HB2 LEU 82 12.093 2.301 1.286 601 HB3 LEU 82 HB1 LEU 82 12.894 3.248 0.049 602 HG LEU 82 HG LEU 82 10.503 1.483 -0.448 603 HD11 LEU 82 HD11 LEU 82 9.254 3.562 -0.635 604 HD12 LEU 82 HD12 LEU 82 10.677 4.465 -0.113 605 HD13 LEU 82 HD13 LEU 82 9.899 3.326 0.988 606 HD21 LEU 82 HD21 LEU 82 10.392 2.668 -2.583 607 HD22 LEU 82 HD22 LEU 82 11.913 1.793 -2.407 608 HD23 LEU 82 HD23 LEU 82 11.869 3.540 -2.178 609 H ALA 83 HN ALA 83 14.137 -0.080 1.923 610 HA ALA 83 HA ALA 83 16.554 1.387 2.258 611 HB1 ALA 83 HB1 ALA 83 15.580 0.109 4.126 612 HB2 ALA 83 HB2 ALA 83 17.228 -0.423 3.788 613 HB3 ALA 83 HB3 ALA 83 15.860 -1.391 3.243 614 H GLU 84 HN GLU 84 15.588 -1.523 0.640 615 HA GLU 84 HA GLU 84 18.113 -2.505 -0.190 616 HB2 GLU 84 HB2 GLU 84 15.437 -2.877 -1.550 617 HB3 GLU 84 HB1 GLU 84 16.837 -3.920 -1.693 618 HG2 GLU 84 HG2 GLU 84 15.218 -3.503 0.813 619 HG3 GLU 84 HG1 GLU 84 15.064 -4.869 -0.286 620 H ALA 85 HN ALA 85 15.522 -0.892 -1.973 621 HA ALA 85 HA ALA 85 17.358 -0.111 -4.105 622 HB1 ALA 85 HB1 ALA 85 15.295 0.487 -5.315 623 HB2 ALA 85 HB2 ALA 85 14.347 0.121 -3.876 624 HB3 ALA 85 HB3 ALA 85 15.216 -1.167 -4.707 625 H ALA 86 HN ALA 86 16.002 2.233 -4.919 626 HA ALA 86 HA ALA 86 15.466 4.062 -2.882 627 HB1 ALA 86 HB1 ALA 86 17.424 5.557 -3.170 628 HB2 ALA 86 HB2 ALA 86 18.190 4.354 -4.208 629 HB3 ALA 86 HB3 ALA 86 17.918 4.000 -2.501 630 H281 PSR 87 H28A PSR 87 -7.845 -10.568 -6.049 631 H282 PSR 87 H28B PSR 87 -6.719 -9.745 -4.973 632 H301 PSR 87 H30A PSR 87 -4.396 -11.101 -7.322 633 H302 PSR 87 H30B PSR 87 -4.848 -9.733 -6.308 634 H303 PSR 87 H30C PSR 87 -5.918 -10.249 -7.617 635 H311 PSR 87 H31A PSR 87 -5.416 -12.536 -4.071 636 H312 PSR 87 H31B PSR 87 -4.509 -11.046 -4.341 637 H313 PSR 87 H31C PSR 87 -4.118 -12.496 -5.266 638 H321 PSR 87 H32A PSR 87 -5.648 -13.371 -7.050 639 H331 PSR 87 H33A PSR 87 -7.643 -13.172 -8.191 640 H361 PSR 87 H36A PSR 87 -5.937 -14.006 -4.541 641 H371 PSR 87 H37A PSR 87 -7.974 -14.539 -2.998 642 H372 PSR 87 H37B PSR 87 -8.377 -15.628 -4.327 643 H381 PSR 87 H38A PSR 87 -7.189 -16.783 -2.481 644 H382 PSR 87 H38B PSR 87 -6.321 -16.851 -4.003 645 H411 PSR 87 H41A PSR 87 -6.434 -14.053 -1.825 646 H421 PSR 87 H42A PSR 87 -3.575 -14.379 -1.168 647 H422 PSR 87 H42B PSR 87 -4.270 -12.891 -1.763 648 H431 PSR 87 H43A PSR 87 -4.855 -14.130 0.903 649 H432 PSR 87 H43B PSR 87 -5.864 -12.923 0.113 650 HC21 PSR 87 H2A PSR 87 -2.667 -9.682 0.138 651 HC22 PSR 87 H2B PSR 87 -4.134 -8.724 -0.017 652 HC31 PSR 87 H3A PSR 87 -2.602 -8.218 -1.847 653 HC32 PSR 87 H3B PSR 87 -4.056 -9.017 -2.469 654 HC41 PSR 87 H4C PSR 87 -2.845 -11.144 -2.524 655 HC42 PSR 87 H4A PSR 87 -1.405 -10.338 -1.900 656 HC43 PSR 87 H4B PSR 87 -2.023 -9.917 -3.495 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 19.211 9.861 4.634 2 H2 MET 1 HT2 MET 1 17.954 8.750 4.489 3 H3 MET 1 HT3 MET 1 18.272 9.820 3.226 4 HA MET 1 HA MET 1 20.416 8.790 2.879 5 HB2 MET 1 HB2 MET 1 20.813 8.013 5.160 6 HB3 MET 1 HB1 MET 1 19.462 6.895 5.037 7 HG2 MET 1 HG2 MET 1 20.651 5.681 3.270 8 HG3 MET 1 HG1 MET 1 22.016 6.784 3.449 9 HE1 MET 1 HE1 MET 1 23.317 3.430 5.003 10 HE2 MET 1 HE2 MET 1 23.596 4.673 3.783 11 HE3 MET 1 HE3 MET 1 22.211 3.593 3.642 12 H ALA 2 HN ALA 2 17.565 6.815 3.752 13 HA ALA 2 HA ALA 2 17.734 5.528 1.150 14 HB1 ALA 2 HB1 ALA 2 15.904 5.021 3.504 15 HB2 ALA 2 HB2 ALA 2 17.379 4.126 3.133 16 HB3 ALA 2 HB3 ALA 2 15.997 4.041 2.041 17 H THR 3 HN THR 3 15.850 5.453 -0.226 18 HA THR 3 HA THR 3 14.295 7.905 -0.122 19 HB THR 3 HB THR 3 14.521 5.791 -2.195 20 HG1 THR 3 HG1 THR 3 16.012 8.114 -1.606 21 HG21 THR 3 HG21 THR 3 13.732 7.575 -3.742 22 HG22 THR 3 HG22 THR 3 13.591 8.671 -2.368 23 HG23 THR 3 HG23 THR 3 12.560 7.244 -2.464 24 H LEU 4 HN LEU 4 12.495 7.660 1.038 25 HA LEU 4 HA LEU 4 11.147 5.036 1.030 26 HB2 LEU 4 HB2 LEU 4 11.060 7.159 3.160 27 HB3 LEU 4 HB1 LEU 4 10.269 5.602 3.212 28 HG LEU 4 HG LEU 4 13.220 6.160 3.360 29 HD11 LEU 4 HD11 LEU 4 11.263 4.983 5.315 30 HD12 LEU 4 HD12 LEU 4 11.985 6.591 5.390 31 HD13 LEU 4 HD13 LEU 4 12.998 5.160 5.574 32 HD21 LEU 4 HD21 LEU 4 12.839 4.135 2.035 33 HD22 LEU 4 HD22 LEU 4 11.794 3.496 3.305 34 HD23 LEU 4 HD23 LEU 4 13.512 3.740 3.617 35 H LEU 5 HN LEU 5 8.817 5.296 1.691 36 HA LEU 5 HA LEU 5 7.533 7.339 0.049 37 HB2 LEU 5 HB2 LEU 5 6.461 4.855 1.371 38 HB3 LEU 5 HB1 LEU 5 5.528 5.966 0.395 39 HG LEU 5 HG LEU 5 7.814 4.279 -0.604 40 HD11 LEU 5 HD11 LEU 5 5.858 2.952 0.023 41 HD12 LEU 5 HD12 LEU 5 6.044 3.016 -1.733 42 HD13 LEU 5 HD13 LEU 5 4.830 4.020 -0.933 43 HD21 LEU 5 HD21 LEU 5 7.531 6.378 -1.803 44 HD22 LEU 5 HD22 LEU 5 5.819 6.013 -2.036 45 HD23 LEU 5 HD23 LEU 5 7.055 4.997 -2.785 46 H THR 6 HN THR 6 6.118 8.755 0.940 47 HA THR 6 HA THR 6 6.072 8.914 3.838 48 HB THR 6 HB THR 6 5.096 11.183 3.370 49 HG1 THR 6 HG1 THR 6 5.996 11.047 0.721 50 HG21 THR 6 HG21 THR 6 7.784 10.619 2.086 51 HG22 THR 6 HG22 THR 6 7.510 10.922 3.803 52 HG23 THR 6 HG23 THR 6 7.215 12.199 2.624 53 H THR 7 HN THR 7 3.945 9.486 4.789 54 HA THR 7 HA THR 7 1.831 7.858 4.047 55 HB THR 7 HB THR 7 1.560 10.497 5.501 56 HG1 THR 7 HG1 THR 7 2.336 9.478 7.280 57 HG21 THR 7 HG21 THR 7 -0.158 9.272 6.754 58 HG22 THR 7 HG22 THR 7 0.178 7.819 5.814 59 HG23 THR 7 HG23 THR 7 -0.519 9.236 5.028 60 H ASP 8 HN ASP 8 2.678 11.114 3.085 61 HA ASP 8 HA ASP 8 0.393 11.938 1.697 62 HB2 ASP 8 HB2 ASP 8 2.348 13.366 2.275 63 HB3 ASP 8 HB1 ASP 8 3.280 12.542 1.034 64 H ASP 9 HN ASP 9 3.295 10.226 0.522 65 HA ASP 9 HA ASP 9 2.347 9.988 -2.161 66 HB2 ASP 9 HB2 ASP 9 4.768 9.830 -1.496 67 HB3 ASP 9 HB1 ASP 9 4.425 8.229 -0.846 68 H LEU 10 HN LEU 10 2.348 7.870 0.621 69 HA LEU 10 HA LEU 10 1.345 5.561 -0.607 70 HB2 LEU 10 HB2 LEU 10 2.337 5.664 1.658 71 HB3 LEU 10 HB1 LEU 10 0.914 6.515 2.224 72 HG LEU 10 HG LEU 10 -0.420 4.487 1.531 73 HD11 LEU 10 HD11 LEU 10 0.773 2.367 1.352 74 HD12 LEU 10 HD12 LEU 10 2.308 3.235 1.366 75 HD13 LEU 10 HD13 LEU 10 1.175 3.472 0.037 76 HD21 LEU 10 HD21 LEU 10 0.166 3.233 3.562 77 HD22 LEU 10 HD22 LEU 10 0.054 4.969 3.849 78 HD23 LEU 10 HD23 LEU 10 1.636 4.201 3.711 79 H ARG 11 HN ARG 11 -0.192 8.419 0.686 80 HA ARG 11 HA ARG 11 -2.835 7.629 0.817 81 HB2 ARG 11 HB2 ARG 11 -1.759 9.889 1.473 82 HB3 ARG 11 HB1 ARG 11 -2.044 10.354 -0.197 83 HG2 ARG 11 HG2 ARG 11 -4.462 9.874 0.135 84 HG3 ARG 11 HG1 ARG 11 -4.099 9.541 1.834 85 HD2 ARG 11 HD2 ARG 11 -4.905 11.782 1.703 86 HD3 ARG 11 HD1 ARG 11 -3.170 11.854 2.015 87 HE ARG 11 HE ARG 11 -3.701 11.946 -0.758 88 HH11 ARG 11 HH11 ARG 11 -3.627 14.000 2.133 89 HH12 ARG 11 HH12 ARG 11 -3.678 15.467 1.272 90 HH21 ARG 11 HH21 ARG 11 -3.695 13.980 -1.950 91 HH22 ARG 11 HH22 ARG 11 -3.719 15.449 -1.090 92 H ARG 12 HN ARG 12 -1.203 9.204 -1.927 93 HA ARG 12 HA ARG 12 -3.388 8.906 -3.668 94 HB2 ARG 12 HB2 ARG 12 -1.959 9.651 -5.488 95 HB3 ARG 12 HB1 ARG 12 -1.609 10.595 -4.060 96 HG2 ARG 12 HG2 ARG 12 0.493 10.227 -4.921 97 HG3 ARG 12 HG1 ARG 12 0.359 8.909 -3.761 98 HD2 ARG 12 HD2 ARG 12 1.270 8.009 -5.792 99 HD3 ARG 12 HD1 ARG 12 -0.390 7.434 -5.648 100 HE ARG 12 HE ARG 12 0.456 9.663 -7.375 101 HH11 ARG 12 HH11 ARG 12 -1.719 6.884 -6.812 102 HH12 ARG 12 HH12 ARG 12 -2.378 6.945 -8.389 103 HH21 ARG 12 HH21 ARG 12 -0.570 9.740 -9.518 104 HH22 ARG 12 HH22 ARG 12 -1.826 8.653 -9.858 105 H ALA 13 HN ALA 13 -0.925 6.668 -2.801 106 HA ALA 13 HA ALA 13 -1.292 4.867 -4.975 107 HB1 ALA 13 HB1 ALA 13 -0.269 4.296 -2.185 108 HB2 ALA 13 HB2 ALA 13 0.717 4.801 -3.556 109 HB3 ALA 13 HB3 ALA 13 -0.098 3.240 -3.588 110 H LEU 14 HN LEU 14 -2.598 5.004 -1.694 111 HA LEU 14 HA LEU 14 -4.333 2.782 -1.972 112 HB2 LEU 14 HB2 LEU 14 -4.166 5.085 -0.061 113 HB3 LEU 14 HB1 LEU 14 -5.568 4.044 -0.031 114 HG LEU 14 HG LEU 14 -3.818 3.534 1.695 115 HD11 LEU 14 HD11 LEU 14 -5.445 1.880 1.106 116 HD12 LEU 14 HD12 LEU 14 -3.882 1.127 1.434 117 HD13 LEU 14 HD13 LEU 14 -4.435 1.329 -0.229 118 HD21 LEU 14 HD21 LEU 14 -1.811 3.900 0.376 119 HD22 LEU 14 HD22 LEU 14 -2.230 2.537 -0.662 120 HD23 LEU 14 HD23 LEU 14 -1.841 2.267 1.039 121 H VAL 15 HN VAL 15 -4.821 6.246 -2.393 122 HA VAL 15 HA VAL 15 -7.537 6.168 -3.084 123 HB VAL 15 HB VAL 15 -5.412 8.204 -3.882 124 HG11 VAL 15 HG11 VAL 15 -8.410 8.508 -3.997 125 HG12 VAL 15 HG12 VAL 15 -7.330 8.401 -5.388 126 HG13 VAL 15 HG13 VAL 15 -7.227 9.782 -4.295 127 HG21 VAL 15 HG21 VAL 15 -7.443 8.231 -1.671 128 HG22 VAL 15 HG22 VAL 15 -6.337 9.547 -2.075 129 HG23 VAL 15 HG23 VAL 15 -5.701 8.006 -1.503 130 H GLU 16 HN GLU 16 -4.886 5.022 -4.821 131 HA GLU 16 HA GLU 16 -5.851 5.436 -7.494 132 HB2 GLU 16 HB2 GLU 16 -3.448 5.197 -6.843 133 HB3 GLU 16 HB1 GLU 16 -3.765 3.517 -6.452 134 HG2 GLU 16 HG2 GLU 16 -2.742 3.609 -8.580 135 HG3 GLU 16 HG1 GLU 16 -4.437 3.177 -8.816 136 H SER 17 HN SER 17 -5.461 2.579 -5.361 137 HA SER 17 HA SER 17 -6.909 0.919 -7.181 138 HB2 SER 17 HB2 SER 17 -5.981 0.290 -4.383 139 HB3 SER 17 HB1 SER 17 -6.262 -0.872 -5.688 140 HG SER 17 HG SER 17 -4.608 0.354 -6.871 141 H ALA 18 HN ALA 18 -7.662 2.827 -4.374 142 HA ALA 18 HA ALA 18 -10.161 1.637 -3.776 143 HB1 ALA 18 HB1 ALA 18 -9.014 3.156 -2.212 144 HB2 ALA 18 HB2 ALA 18 -10.641 3.731 -2.583 145 HB3 ALA 18 HB3 ALA 18 -9.243 4.489 -3.343 146 H GLY 19 HN GLY 19 -9.026 3.783 -6.223 147 HA2 GLY 19 HA2 GLY 19 -11.591 4.716 -7.097 148 HA3 GLY 19 HA1 GLY 19 -10.074 4.831 -7.991 149 H GLU 20 HN GLU 20 -9.575 1.956 -7.730 150 HA GLU 20 HA GLU 20 -11.010 1.029 -10.014 151 HB2 GLU 20 HB2 GLU 20 -8.682 0.311 -9.568 152 HB3 GLU 20 HB1 GLU 20 -9.209 -0.483 -8.097 153 HG2 GLU 20 HG2 GLU 20 -8.805 -2.078 -9.890 154 HG3 GLU 20 HG1 GLU 20 -10.499 -2.079 -9.402 155 H THR 21 HN THR 21 -11.234 0.718 -6.759 156 HA THR 21 HA THR 21 -13.577 -1.073 -6.893 157 HB THR 21 HB THR 21 -12.242 -0.114 -4.332 158 HG1 THR 21 HG1 THR 21 -10.597 -1.085 -5.452 159 HG21 THR 21 HG21 THR 21 -14.431 -1.244 -4.156 160 HG22 THR 21 HG22 THR 21 -13.145 -2.225 -3.452 161 HG23 THR 21 HG23 THR 21 -13.788 -2.624 -5.046 162 H ASP 22 HN ASP 22 -14.213 1.091 -7.999 163 HA ASP 22 HA ASP 22 -14.576 3.459 -6.589 164 HB2 ASP 22 HB2 ASP 22 -15.800 4.305 -8.430 165 HB3 ASP 22 HB1 ASP 22 -14.616 3.205 -9.112 166 H GLY 23 HN GLY 23 -15.953 4.199 -5.280 167 HA2 GLY 23 HA2 GLY 23 -18.412 4.368 -4.769 168 HA3 GLY 23 HA1 GLY 23 -18.375 2.609 -4.705 169 H THR 24 HN THR 24 -15.937 2.287 -3.418 170 HA THR 24 HA THR 24 -16.495 3.465 -0.795 171 HB THR 24 HB THR 24 -15.257 0.741 -1.337 172 HG1 THR 24 HG1 THR 24 -17.349 0.631 -2.016 173 HG21 THR 24 HG21 THR 24 -16.441 1.975 1.173 174 HG22 THR 24 HG22 THR 24 -14.720 1.747 0.859 175 HG23 THR 24 HG23 THR 24 -15.773 0.347 1.043 176 H ASP 25 HN ASP 25 -15.099 5.172 -1.532 177 HA ASP 25 HA ASP 25 -12.289 4.478 -1.999 178 HB2 ASP 25 HB2 ASP 25 -13.748 6.199 -3.366 179 HB3 ASP 25 HB1 ASP 25 -13.381 7.277 -2.030 180 H LEU 26 HN LEU 26 -10.906 6.371 -1.001 181 HA LEU 26 HA LEU 26 -11.663 6.729 1.784 182 HB2 LEU 26 HB2 LEU 26 -9.266 6.234 2.449 183 HB3 LEU 26 HB1 LEU 26 -10.208 4.859 1.924 184 HG LEU 26 HG LEU 26 -9.002 5.415 -0.392 185 HD11 LEU 26 HD11 LEU 26 -7.790 7.343 0.382 186 HD12 LEU 26 HD12 LEU 26 -6.684 6.040 -0.061 187 HD13 LEU 26 HD13 LEU 26 -7.016 6.375 1.638 188 HD21 LEU 26 HD21 LEU 26 -7.324 3.723 0.175 189 HD22 LEU 26 HD22 LEU 26 -8.942 3.278 0.715 190 HD23 LEU 26 HD23 LEU 26 -7.758 3.883 1.878 191 H SER 27 HN SER 27 -9.347 7.682 -0.689 192 HA SER 27 HA SER 27 -8.501 9.683 -1.360 193 HB2 SER 27 HB2 SER 27 -11.161 10.547 -0.423 194 HB3 SER 27 HB1 SER 27 -10.136 11.521 -1.485 195 HG SER 27 HG SER 27 -10.801 8.843 -2.200 196 H GLY 28 HN GLY 28 -7.963 9.091 1.547 197 HA2 GLY 28 HA2 GLY 28 -6.588 11.367 2.265 198 HA3 GLY 28 HA1 GLY 28 -8.199 11.590 2.929 199 H ASP 29 HN ASP 29 -8.836 10.390 4.673 200 HA ASP 29 HA ASP 29 -6.716 9.299 6.278 201 HB2 ASP 29 HB2 ASP 29 -8.566 10.615 7.276 202 HB3 ASP 29 HB1 ASP 29 -9.702 9.360 6.800 203 H PHE 30 HN PHE 30 -6.083 7.294 6.329 204 HA PHE 30 HA PHE 30 -7.817 5.033 5.744 205 HB2 PHE 30 HB2 PHE 30 -6.769 4.299 3.646 206 HB3 PHE 30 HB1 PHE 30 -7.161 5.988 3.484 207 HD1 PHE 30 HD2 PHE 30 -5.463 7.714 3.436 208 HD2 PHE 30 HD1 PHE 30 -4.415 3.627 3.792 209 HE1 PHE 30 HE2 PHE 30 -3.162 8.249 2.785 210 HE2 PHE 30 HE1 PHE 30 -2.118 4.155 3.140 211 HZ PHE 30 HZ PHE 30 -1.435 6.510 2.872 212 H LEU 31 HN LEU 31 -4.778 6.421 6.670 213 HA LEU 31 HA LEU 31 -2.936 4.431 6.508 214 HB2 LEU 31 HB2 LEU 31 -2.480 6.781 6.992 215 HB3 LEU 31 HB1 LEU 31 -3.089 6.562 8.622 216 HG LEU 31 HG LEU 31 -1.261 4.875 8.971 217 HD11 LEU 31 HD11 LEU 31 -0.251 5.995 6.364 218 HD12 LEU 31 HD12 LEU 31 -0.803 4.345 6.654 219 HD13 LEU 31 HD13 LEU 31 0.653 4.940 7.451 220 HD21 LEU 31 HD21 LEU 31 -0.429 7.692 8.290 221 HD22 LEU 31 HD22 LEU 31 0.484 6.568 9.293 222 HD23 LEU 31 HD23 LEU 31 -1.094 7.151 9.830 223 H ASP 32 HN ASP 32 -5.111 5.030 9.222 224 HA ASP 32 HA ASP 32 -3.909 2.719 10.588 225 HB2 ASP 32 HB2 ASP 32 -4.179 5.031 11.687 226 HB3 ASP 32 HB1 ASP 32 -5.885 4.628 11.806 227 H LEU 33 HN LEU 33 -6.303 3.179 8.493 228 HA LEU 33 HA LEU 33 -8.398 1.729 9.890 229 HB2 LEU 33 HB2 LEU 33 -8.285 2.871 7.093 230 HB3 LEU 33 HB1 LEU 33 -9.633 1.941 7.698 231 HG LEU 33 HG LEU 33 -10.003 3.730 9.417 232 HD11 LEU 33 HD11 LEU 33 -7.987 5.251 7.788 233 HD12 LEU 33 HD12 LEU 33 -7.789 4.713 9.455 234 HD13 LEU 33 HD13 LEU 33 -9.013 5.920 9.057 235 HD21 LEU 33 HD21 LEU 33 -11.331 3.619 7.393 236 HD22 LEU 33 HD22 LEU 33 -10.122 4.562 6.527 237 HD23 LEU 33 HD23 LEU 33 -11.031 5.296 7.851 238 H ARG 34 HN ARG 34 -9.235 -0.222 9.076 239 HA ARG 34 HA ARG 34 -7.202 -2.005 8.140 240 HB2 ARG 34 HB2 ARG 34 -10.142 -2.365 8.654 241 HB3 ARG 34 HB1 ARG 34 -9.121 -3.658 8.046 242 HG2 ARG 34 HG2 ARG 34 -8.835 -2.217 10.666 243 HG3 ARG 34 HG1 ARG 34 -9.388 -3.881 10.422 244 HD2 ARG 34 HD2 ARG 34 -7.120 -4.219 9.236 245 HD3 ARG 34 HD1 ARG 34 -6.676 -2.709 10.004 246 HE ARG 34 HE ARG 34 -7.133 -3.742 12.136 247 HH11 ARG 34 HH11 ARG 34 -6.655 -5.824 9.331 248 HH12 ARG 34 HH12 ARG 34 -5.985 -7.133 10.182 249 HH21 ARG 34 HH21 ARG 34 -6.354 -5.589 13.382 250 HH22 ARG 34 HH22 ARG 34 -5.854 -7.023 12.559 251 H PHE 35 HN PHE 35 -7.007 -2.969 6.164 252 HA PHE 35 HA PHE 35 -7.766 -1.597 3.865 253 HB2 PHE 35 HB2 PHE 35 -7.017 -4.507 4.156 254 HB3 PHE 35 HB1 PHE 35 -7.166 -3.664 2.617 255 HD1 PHE 35 HD2 PHE 35 -5.753 -1.474 2.423 256 HD2 PHE 35 HD1 PHE 35 -4.972 -4.630 5.153 257 HE1 PHE 35 HE2 PHE 35 -3.417 -0.741 2.592 258 HE2 PHE 35 HE1 PHE 35 -2.660 -3.910 5.340 259 HZ PHE 35 HZ PHE 35 -1.858 -1.962 4.053 260 H GLU 36 HN GLU 36 -9.176 -4.357 5.401 261 HA GLU 36 HA GLU 36 -11.275 -5.017 3.726 262 HB2 GLU 36 HB2 GLU 36 -11.533 -4.911 6.723 263 HB3 GLU 36 HB1 GLU 36 -12.321 -6.011 5.607 264 HG2 GLU 36 HG2 GLU 36 -9.402 -5.986 6.348 265 HG3 GLU 36 HG1 GLU 36 -10.614 -7.147 6.867 266 H ASP 37 HN ASP 37 -10.913 -2.312 5.879 267 HA ASP 37 HA ASP 37 -13.730 -1.585 5.919 268 HB2 ASP 37 HB2 ASP 37 -11.991 -1.479 7.859 269 HB3 ASP 37 HB1 ASP 37 -11.459 0.002 7.084 270 H ILE 38 HN ILE 38 -10.873 -0.871 4.117 271 HA ILE 38 HA ILE 38 -11.937 1.732 3.275 272 HB ILE 38 HB ILE 38 -9.695 2.214 2.329 273 HG12 ILE 38 HG12 ILE 38 -8.826 -0.275 3.812 274 HG13 ILE 38 HG11 ILE 38 -8.894 -0.200 2.069 275 HG21 ILE 38 HG21 ILE 38 -8.604 2.647 4.482 276 HG22 ILE 38 HG22 ILE 38 -9.776 1.592 5.270 277 HG23 ILE 38 HG23 ILE 38 -10.316 3.076 4.490 278 HD11 ILE 38 HD11 ILE 38 -6.640 0.047 2.831 279 HD12 ILE 38 HD12 ILE 38 -7.094 1.378 3.900 280 HD13 ILE 38 HD13 ILE 38 -7.167 1.585 2.151 281 H GLY 39 HN GLY 39 -12.914 -0.810 2.203 282 HA2 GLY 39 HA2 GLY 39 -13.768 -1.343 0.115 283 HA3 GLY 39 HA1 GLY 39 -12.877 0.015 -0.554 284 H TYR 40 HN TYR 40 -10.838 -1.974 1.224 285 HA TYR 40 HA TYR 40 -9.867 -3.107 -1.239 286 HB2 TYR 40 HB2 TYR 40 -8.658 -2.660 1.480 287 HB3 TYR 40 HB1 TYR 40 -7.939 -3.820 0.383 288 HD1 TYR 40 HD2 TYR 40 -9.419 -0.481 -0.435 289 HD2 TYR 40 HD1 TYR 40 -5.949 -2.913 -0.179 290 HE1 TYR 40 HE2 TYR 40 -8.122 1.254 -1.588 291 HE2 TYR 40 HE1 TYR 40 -4.652 -1.196 -1.329 292 HH TYR 40 HH TYR 40 -4.889 0.629 -2.694 293 H ASP 41 HN ASP 41 -10.941 -4.796 -1.733 294 HA ASP 41 HA ASP 41 -12.025 -6.595 0.250 295 HB2 ASP 41 HB2 ASP 41 -13.333 -6.020 -1.751 296 HB3 ASP 41 HB1 ASP 41 -12.065 -6.666 -2.783 297 H SER 42 HN SER 42 -9.572 -6.438 -2.149 298 HA SER 42 HA SER 42 -7.645 -8.016 -0.990 299 HB2 SER 42 HB2 SER 42 -7.774 -10.081 -2.431 300 HB3 SER 42 HB1 SER 42 -9.112 -9.962 -1.278 301 H LEU 43 HN LEU 43 -9.151 -7.785 -4.148 302 HA LEU 43 HA LEU 43 -6.976 -7.676 -5.817 303 HB2 LEU 43 HB2 LEU 43 -9.266 -7.904 -6.594 304 HB3 LEU 43 HB1 LEU 43 -9.601 -6.245 -6.151 305 HG LEU 43 HG LEU 43 -7.911 -5.517 -7.841 306 HD11 LEU 43 HD11 LEU 43 -7.224 -7.097 -9.567 307 HD12 LEU 43 HD12 LEU 43 -7.963 -8.417 -8.657 308 HD13 LEU 43 HD13 LEU 43 -6.590 -7.537 -7.981 309 HD21 LEU 43 HD21 LEU 43 -10.222 -7.159 -8.862 310 HD22 LEU 43 HD22 LEU 43 -9.362 -5.921 -9.773 311 HD23 LEU 43 HD23 LEU 43 -10.286 -5.478 -8.338 312 H ALA 44 HN ALA 44 -8.489 -4.931 -4.165 313 HA ALA 44 HA ALA 44 -6.978 -2.974 -5.467 314 HB1 ALA 44 HB1 ALA 44 -9.026 -2.487 -4.216 315 HB2 ALA 44 HB2 ALA 44 -7.681 -1.454 -3.728 316 HB3 ALA 44 HB3 ALA 44 -8.166 -2.807 -2.708 317 H LEU 45 HN LEU 45 -6.074 -5.070 -2.789 318 HA LEU 45 HA LEU 45 -3.956 -3.449 -1.847 319 HB2 LEU 45 HB2 LEU 45 -4.715 -6.289 -1.492 320 HB3 LEU 45 HB1 LEU 45 -3.067 -5.840 -1.125 321 HG LEU 45 HG LEU 45 -5.501 -4.597 0.176 322 HD11 LEU 45 HD11 LEU 45 -3.427 -6.497 1.173 323 HD12 LEU 45 HD12 LEU 45 -5.075 -7.002 0.742 324 HD13 LEU 45 HD13 LEU 45 -4.791 -5.876 2.100 325 HD21 LEU 45 HD21 LEU 45 -3.607 -3.112 0.072 326 HD22 LEU 45 HD22 LEU 45 -2.568 -4.430 0.628 327 HD23 LEU 45 HD23 LEU 45 -3.806 -3.766 1.708 328 H MET 46 HN MET 46 -3.980 -6.239 -3.887 329 HA MET 46 HA MET 46 -1.242 -6.158 -4.552 330 HB2 MET 46 HB2 MET 46 -1.716 -7.710 -6.329 331 HB3 MET 46 HB1 MET 46 -2.667 -8.135 -4.922 332 HG2 MET 46 HG2 MET 46 -4.206 -8.410 -6.549 333 HG3 MET 46 HG1 MET 46 -4.486 -6.709 -6.106 334 HE1 MET 46 HE1 MET 46 -2.751 -9.102 -8.732 335 HE2 MET 46 HE2 MET 46 -1.439 -8.049 -8.203 336 HE3 MET 46 HE3 MET 46 -2.054 -7.931 -9.852 337 H GLU 47 HN GLU 47 -3.956 -4.473 -5.847 338 HA GLU 47 HA GLU 47 -2.795 -3.525 -8.232 339 HB2 GLU 47 HB2 GLU 47 -5.272 -3.547 -7.248 340 HB3 GLU 47 HB1 GLU 47 -4.816 -1.965 -6.653 341 HG2 GLU 47 HG2 GLU 47 -4.823 -2.822 -9.539 342 HG3 GLU 47 HG1 GLU 47 -6.078 -1.884 -8.743 343 H THR 48 HN THR 48 -3.188 -2.088 -4.990 344 HA THR 48 HA THR 48 -1.633 0.245 -5.318 345 HB THR 48 HB THR 48 -2.154 -1.427 -2.820 346 HG1 THR 48 HG1 THR 48 -3.740 0.027 -4.401 347 HG21 THR 48 HG21 THR 48 -1.795 0.655 -1.594 348 HG22 THR 48 HG22 THR 48 -1.427 1.502 -3.099 349 HG23 THR 48 HG23 THR 48 -0.348 0.234 -2.508 350 H ALA 49 HN ALA 49 -0.772 -3.000 -4.173 351 HA ALA 49 HA ALA 49 1.906 -2.545 -3.573 352 HB1 ALA 49 HB1 ALA 49 2.226 -4.955 -3.857 353 HB2 ALA 49 HB2 ALA 49 0.670 -5.071 -4.676 354 HB3 ALA 49 HB3 ALA 49 0.738 -4.620 -2.973 355 H ALA 50 HN ALA 50 0.468 -3.748 -6.599 356 HA ALA 50 HA ALA 50 2.754 -3.933 -8.146 357 HB1 ALA 50 HB1 ALA 50 -0.013 -3.175 -9.062 358 HB2 ALA 50 HB2 ALA 50 0.565 -4.819 -8.797 359 HB3 ALA 50 HB3 ALA 50 1.277 -3.828 -10.072 360 H ARG 51 HN ARG 51 0.749 -1.146 -7.485 361 HA ARG 51 HA ARG 51 1.835 0.679 -9.334 362 HB2 ARG 51 HB2 ARG 51 0.671 1.120 -6.583 363 HB3 ARG 51 HB1 ARG 51 1.026 2.444 -7.663 364 HG2 ARG 51 HG2 ARG 51 -0.915 0.212 -8.174 365 HG3 ARG 51 HG1 ARG 51 -1.322 1.843 -7.641 366 HD2 ARG 51 HD2 ARG 51 -0.567 2.779 -9.693 367 HD3 ARG 51 HD1 ARG 51 0.139 1.243 -10.203 368 HE ARG 51 HE ARG 51 -2.325 0.478 -9.927 369 HH11 ARG 51 HH11 ARG 51 -1.335 3.603 -11.310 370 HH12 ARG 51 HH12 ARG 51 -2.656 3.627 -12.406 371 HH21 ARG 51 HH21 ARG 51 -3.948 0.530 -11.322 372 HH22 ARG 51 HH22 ARG 51 -4.203 1.780 -12.472 373 H LEU 52 HN LEU 52 2.566 0.211 -5.932 374 HA LEU 52 HA LEU 52 4.766 1.984 -5.956 375 HB2 LEU 52 HB2 LEU 52 3.923 -0.046 -3.901 376 HB3 LEU 52 HB1 LEU 52 5.150 1.184 -3.655 377 HG LEU 52 HG LEU 52 2.235 1.744 -4.240 378 HD11 LEU 52 HD11 LEU 52 3.793 2.037 -1.694 379 HD12 LEU 52 HD12 LEU 52 2.548 0.827 -2.009 380 HD13 LEU 52 HD13 LEU 52 2.122 2.538 -1.944 381 HD21 LEU 52 HD21 LEU 52 4.498 3.606 -3.542 382 HD22 LEU 52 HD22 LEU 52 2.803 4.058 -3.715 383 HD23 LEU 52 HD23 LEU 52 3.705 3.468 -5.112 384 H GLU 53 HN GLU 53 4.554 -1.565 -6.139 385 HA GLU 53 HA GLU 53 7.258 -2.155 -5.905 386 HB2 GLU 53 HB2 GLU 53 5.238 -3.547 -7.681 387 HB3 GLU 53 HB1 GLU 53 6.839 -4.159 -7.331 388 HG2 GLU 53 HG2 GLU 53 6.106 -4.231 -4.885 389 HG3 GLU 53 HG1 GLU 53 4.504 -3.861 -5.489 390 H SER 54 HN SER 54 5.354 -1.613 -8.824 391 HA SER 54 HA SER 54 7.443 -1.932 -10.651 392 HB2 SER 54 HB2 SER 54 4.995 -2.137 -11.124 393 HB3 SER 54 HB1 SER 54 4.879 -0.385 -11.033 394 HG SER 54 HG SER 54 5.493 -1.896 -13.045 395 H ARG 55 HN ARG 55 6.290 0.904 -8.920 396 HA ARG 55 HA ARG 55 7.467 2.854 -10.585 397 HB2 ARG 55 HB2 ARG 55 5.742 3.297 -8.811 398 HB3 ARG 55 HB1 ARG 55 7.020 3.115 -7.612 399 HG2 ARG 55 HG2 ARG 55 8.255 4.941 -8.854 400 HG3 ARG 55 HG1 ARG 55 6.752 5.225 -9.729 401 HD2 ARG 55 HD2 ARG 55 7.186 5.414 -6.758 402 HD3 ARG 55 HD1 ARG 55 6.954 6.752 -7.876 403 HE ARG 55 HE ARG 55 4.715 5.352 -8.228 404 HH11 ARG 55 HH11 ARG 55 6.389 6.348 -5.208 405 HH12 ARG 55 HH12 ARG 55 4.936 6.632 -4.378 406 HH21 ARG 55 HH21 ARG 55 2.713 5.754 -6.967 407 HH22 ARG 55 HH22 ARG 55 2.901 6.283 -5.335 408 H TYR 56 HN TYR 56 8.714 1.026 -7.851 409 HA TYR 56 HA TYR 56 11.266 2.459 -8.107 410 HB2 TYR 56 HB2 TYR 56 10.251 0.791 -5.798 411 HB3 TYR 56 HB1 TYR 56 11.792 1.645 -5.847 412 HD1 TYR 56 HD2 TYR 56 11.771 4.169 -6.120 413 HD2 TYR 56 HD1 TYR 56 8.312 1.899 -5.157 414 HE1 TYR 56 HE2 TYR 56 10.723 6.176 -5.233 415 HE2 TYR 56 HE1 TYR 56 7.243 3.897 -4.241 416 HH TYR 56 HH TYR 56 7.768 5.963 -3.366 417 H GLY 57 HN GLY 57 9.827 -0.462 -8.854 418 HA2 GLY 57 HA2 GLY 57 10.727 -2.263 -9.959 419 HA3 GLY 57 HA1 GLY 57 12.330 -1.557 -9.755 420 H VAL 58 HN VAL 58 10.028 -2.152 -7.194 421 HA VAL 58 HA VAL 58 12.010 -3.924 -5.971 422 HB VAL 58 HB VAL 58 10.906 -3.500 -3.776 423 HG11 VAL 58 HG11 VAL 58 11.817 -1.021 -5.215 424 HG12 VAL 58 HG12 VAL 58 12.851 -2.198 -4.404 425 HG13 VAL 58 HG13 VAL 58 11.728 -1.213 -3.464 426 HG21 VAL 58 HG21 VAL 58 9.312 -1.635 -3.554 427 HG22 VAL 58 HG22 VAL 58 8.665 -2.926 -4.568 428 HG23 VAL 58 HG23 VAL 58 9.291 -1.455 -5.309 429 H SER 59 HN SER 59 10.781 -5.454 -4.240 430 HA SER 59 HA SER 59 8.668 -6.824 -5.763 431 HB2 SER 59 HB2 SER 59 10.997 -8.167 -4.395 432 HB3 SER 59 HB1 SER 59 9.793 -8.902 -5.457 433 HG SER 59 HG SER 59 10.620 -7.416 -7.103 434 H ILE 60 HN ILE 60 6.971 -7.173 -4.483 435 HA ILE 60 HA ILE 60 7.347 -7.468 -1.569 436 HB ILE 60 HB ILE 60 4.876 -6.704 -3.157 437 HG12 ILE 60 HG12 ILE 60 6.579 -5.029 -1.306 438 HG13 ILE 60 HG11 ILE 60 6.596 -4.943 -3.066 439 HG21 ILE 60 HG21 ILE 60 3.824 -6.268 -0.973 440 HG22 ILE 60 HG22 ILE 60 5.264 -6.882 -0.162 441 HG23 ILE 60 HG23 ILE 60 4.282 -7.963 -1.150 442 HD11 ILE 60 HD11 ILE 60 5.291 -3.161 -2.088 443 HD12 ILE 60 HD12 ILE 60 4.249 -4.342 -1.294 444 HD13 ILE 60 HD13 ILE 60 4.277 -4.230 -3.057 445 HA PRO 61 HA PRO 61 6.201 -11.771 -2.317 446 HB2 PRO 61 HB2 PRO 61 5.642 -11.699 0.600 447 HB3 PRO 61 HB1 PRO 61 6.706 -12.784 -0.310 448 HG2 PRO 61 HG2 PRO 61 7.715 -10.874 1.240 449 HG3 PRO 61 HG1 PRO 61 8.455 -11.256 -0.328 450 HD2 PRO 61 HD2 PRO 61 6.643 -8.990 0.413 451 HD3 PRO 61 HD1 PRO 61 8.104 -8.980 -0.601 452 H ASP 62 HN ASP 62 4.312 -12.651 -2.756 453 HA ASP 62 HA ASP 62 1.942 -11.176 -2.833 454 HB2 ASP 62 HB2 ASP 62 2.333 -14.163 -3.082 455 HB3 ASP 62 HB1 ASP 62 0.798 -13.359 -3.356 456 H ASP 63 HN ASP 63 2.899 -13.726 -0.568 457 HA ASP 63 HA ASP 63 0.358 -13.587 0.752 458 HB2 ASP 63 HB2 ASP 63 1.624 -15.690 0.785 459 HB3 ASP 63 HB1 ASP 63 2.901 -14.911 1.716 460 H VAL 64 HN VAL 64 3.293 -11.881 1.015 461 HA VAL 64 HA VAL 64 2.711 -11.042 3.673 462 HB VAL 64 HB VAL 64 4.844 -9.955 1.790 463 HG11 VAL 64 HG11 VAL 64 4.235 -8.313 3.511 464 HG12 VAL 64 HG12 VAL 64 5.846 -8.970 3.798 465 HG13 VAL 64 HG13 VAL 64 4.480 -9.531 4.763 466 HG21 VAL 64 HG21 VAL 64 6.384 -11.274 3.158 467 HG22 VAL 64 HG22 VAL 64 5.174 -12.296 2.381 468 HG23 VAL 64 HG23 VAL 64 5.023 -11.898 4.092 469 H ALA 65 HN ALA 65 2.152 -9.837 0.446 470 HA ALA 65 HA ALA 65 1.107 -7.317 1.194 471 HB1 ALA 65 HB1 ALA 65 -0.048 -7.308 -0.967 472 HB2 ALA 65 HB2 ALA 65 0.328 -9.017 -1.199 473 HB3 ALA 65 HB3 ALA 65 1.627 -7.819 -1.142 474 H GLY 66 HN GLY 66 -0.065 -10.475 1.585 475 HA2 GLY 66 HA2 GLY 66 -2.690 -9.447 2.451 476 HA3 GLY 66 HA1 GLY 66 -2.380 -11.114 1.959 477 H ARG 67 HN ARG 67 -0.084 -9.406 3.793 478 HA ARG 67 HA ARG 67 -0.804 -10.809 6.298 479 HB2 ARG 67 HB2 ARG 67 1.145 -11.801 5.115 480 HB3 ARG 67 HB1 ARG 67 1.956 -10.252 5.174 481 HG2 ARG 67 HG2 ARG 67 1.972 -10.394 7.632 482 HG3 ARG 67 HG1 ARG 67 1.237 -12.000 7.513 483 HD2 ARG 67 HD2 ARG 67 3.880 -11.167 6.335 484 HD3 ARG 67 HD1 ARG 67 3.660 -12.156 7.776 485 HE ARG 67 HE ARG 67 2.308 -13.332 5.601 486 HH11 ARG 67 HH11 ARG 67 5.650 -12.721 6.599 487 HH12 ARG 67 HH12 ARG 67 6.232 -14.213 6.033 488 HH21 ARG 67 HH21 ARG 67 3.128 -15.276 4.686 489 HH22 ARG 67 HH22 ARG 67 4.763 -15.714 4.902 490 H VAL 68 HN VAL 68 -0.059 -7.966 4.636 491 HA VAL 68 HA VAL 68 0.559 -6.387 6.943 492 HB VAL 68 HB VAL 68 0.332 -4.456 5.273 493 HG11 VAL 68 HG11 VAL 68 2.385 -4.985 4.082 494 HG12 VAL 68 HG12 VAL 68 2.209 -6.682 4.537 495 HG13 VAL 68 HG13 VAL 68 2.480 -5.458 5.780 496 HG21 VAL 68 HG21 VAL 68 0.262 -5.011 2.894 497 HG22 VAL 68 HG22 VAL 68 -1.218 -5.526 3.704 498 HG23 VAL 68 HG23 VAL 68 0.023 -6.712 3.292 499 H ASP 69 HN ASP 69 -0.940 -5.883 8.298 500 HA ASP 69 HA ASP 69 -3.716 -6.163 7.484 501 HB2 ASP 69 HB2 ASP 69 -2.383 -6.124 10.154 502 HB3 ASP 69 HB1 ASP 69 -4.112 -5.824 10.034 503 H THR 70 HN THR 70 -1.562 -3.633 8.352 504 HA THR 70 HA THR 70 -3.803 -1.783 7.985 505 HB THR 70 HB THR 70 -2.498 -0.166 9.467 506 HG1 THR 70 HG1 THR 70 -1.258 -2.523 10.451 507 HG21 THR 70 HG21 THR 70 -4.522 -1.297 10.282 508 HG22 THR 70 HG22 THR 70 -3.339 -1.129 11.577 509 HG23 THR 70 HG23 THR 70 -3.554 -2.687 10.775 510 HA PRO 71 HA PRO 71 -1.547 -0.039 4.591 511 HB2 PRO 71 HB2 PRO 71 -2.371 2.585 5.747 512 HB3 PRO 71 HB1 PRO 71 -2.553 1.979 4.094 513 HG2 PRO 71 HG2 PRO 71 -4.641 2.040 5.696 514 HG3 PRO 71 HG1 PRO 71 -4.368 0.633 4.649 515 HD2 PRO 71 HD2 PRO 71 -3.867 0.937 7.584 516 HD3 PRO 71 HD1 PRO 71 -4.518 -0.448 6.688 517 H ARG 72 HN ARG 72 -1.192 1.546 7.733 518 HA ARG 72 HA ARG 72 1.258 2.808 7.376 519 HB2 ARG 72 HB2 ARG 72 -0.292 2.859 9.412 520 HB3 ARG 72 HB1 ARG 72 0.494 1.370 9.916 521 HG2 ARG 72 HG2 ARG 72 2.669 2.580 9.862 522 HG3 ARG 72 HG1 ARG 72 1.778 4.066 9.544 523 HD2 ARG 72 HD2 ARG 72 1.646 2.319 11.995 524 HD3 ARG 72 HD1 ARG 72 2.246 3.967 11.884 525 HE ARG 72 HE ARG 72 -0.584 3.223 11.504 526 HH11 ARG 72 HH11 ARG 72 1.795 5.628 12.562 527 HH12 ARG 72 HH12 ARG 72 0.735 6.468 13.595 528 HH21 ARG 72 HH21 ARG 72 -2.075 4.330 13.014 529 HH22 ARG 72 HH22 ARG 72 -1.501 5.684 13.878 530 H GLU 73 HN GLU 73 0.564 -0.513 8.344 531 HA GLU 73 HA GLU 73 3.232 -1.384 8.619 532 HB2 GLU 73 HB2 GLU 73 1.404 -2.481 9.761 533 HB3 GLU 73 HB1 GLU 73 0.638 -2.875 8.236 534 HG2 GLU 73 HG2 GLU 73 2.322 -4.470 7.722 535 HG3 GLU 73 HG1 GLU 73 3.307 -3.947 9.091 536 H LEU 74 HN LEU 74 0.957 -1.417 5.951 537 HA LEU 74 HA LEU 74 2.567 -2.937 4.176 538 HB2 LEU 74 HB2 LEU 74 0.115 -2.648 3.896 539 HB3 LEU 74 HB1 LEU 74 0.338 -0.948 3.594 540 HG LEU 74 HG LEU 74 -0.224 -2.480 1.616 541 HD11 LEU 74 HD11 LEU 74 2.224 -0.715 1.396 542 HD12 LEU 74 HD12 LEU 74 0.547 -0.180 1.284 543 HD13 LEU 74 HD13 LEU 74 1.217 -1.245 0.049 544 HD21 LEU 74 HD21 LEU 74 2.696 -3.186 1.900 545 HD22 LEU 74 HD22 LEU 74 1.679 -3.582 0.513 546 HD23 LEU 74 HD23 LEU 74 1.327 -4.280 2.095 547 H LEU 75 HN LEU 75 2.176 0.522 4.712 548 HA LEU 75 HA LEU 75 3.993 1.567 2.877 549 HB2 LEU 75 HB2 LEU 75 2.481 2.913 4.257 550 HB3 LEU 75 HB1 LEU 75 3.376 2.469 5.690 551 HG LEU 75 HG LEU 75 5.344 3.689 4.806 552 HD11 LEU 75 HD11 LEU 75 5.060 5.199 2.916 553 HD12 LEU 75 HD12 LEU 75 3.444 4.545 2.638 554 HD13 LEU 75 HD13 LEU 75 4.861 3.512 2.440 555 HD21 LEU 75 HD21 LEU 75 3.804 4.777 6.346 556 HD22 LEU 75 HD22 LEU 75 2.806 5.300 4.989 557 HD23 LEU 75 HD23 LEU 75 4.441 5.933 5.174 558 H ASP 76 HN ASP 76 4.467 0.574 6.216 559 HA ASP 76 HA ASP 76 7.211 1.035 6.448 560 HB2 ASP 76 HB2 ASP 76 5.783 0.629 8.375 561 HB3 ASP 76 HB1 ASP 76 5.508 -1.026 7.851 562 H LEU 77 HN LEU 77 5.470 -1.758 5.260 563 HA LEU 77 HA LEU 77 7.614 -3.566 5.059 564 HB2 LEU 77 HB2 LEU 77 5.266 -4.222 4.858 565 HB3 LEU 77 HB1 LEU 77 5.131 -3.315 3.367 566 HG LEU 77 HG LEU 77 6.834 -4.848 2.369 567 HD11 LEU 77 HD11 LEU 77 7.880 -5.634 4.398 568 HD12 LEU 77 HD12 LEU 77 7.247 -6.989 3.464 569 HD13 LEU 77 HD13 LEU 77 6.381 -6.420 4.893 570 HD21 LEU 77 HD21 LEU 77 5.255 -6.691 2.034 571 HD22 LEU 77 HD22 LEU 77 4.460 -5.121 1.931 572 HD23 LEU 77 HD23 LEU 77 4.289 -6.100 3.388 573 H ILE 78 HN ILE 78 6.258 -1.251 2.737 574 HA ILE 78 HA ILE 78 8.152 -1.974 0.742 575 HB ILE 78 HB ILE 78 6.302 0.437 0.832 576 HG12 ILE 78 HG12 ILE 78 6.098 -2.283 -0.466 577 HG13 ILE 78 HG11 ILE 78 5.088 -1.637 0.817 578 HG21 ILE 78 HG21 ILE 78 7.894 -0.678 -1.507 579 HG22 ILE 78 HG22 ILE 78 8.237 0.830 -0.665 580 HG23 ILE 78 HG23 ILE 78 6.752 0.668 -1.588 581 HD11 ILE 78 HD11 ILE 78 4.197 0.024 -0.779 582 HD12 ILE 78 HD12 ILE 78 3.918 -1.653 -1.271 583 HD13 ILE 78 HD13 ILE 78 5.192 -0.726 -2.038 584 H ASN 79 HN ASN 79 7.905 0.552 3.136 585 HA ASN 79 HA ASN 79 10.231 1.902 2.316 586 HB2 ASN 79 HB2 ASN 79 8.823 1.844 4.979 587 HB3 ASN 79 HB1 ASN 79 10.295 2.777 4.727 588 HD21 ASN 79 HD21 ASN 79 7.765 3.906 5.405 589 HD22 ASN 79 HD22 ASN 79 7.286 4.875 4.052 590 H GLY 80 HN GLY 80 9.782 -0.924 4.246 591 HA2 GLY 80 HA2 GLY 80 12.456 -1.152 5.164 592 HA3 GLY 80 HA1 GLY 80 11.294 -2.471 5.010 593 H ALA 81 HN ALA 81 10.762 -2.191 2.272 594 HA ALA 81 HA ALA 81 12.980 -3.588 1.139 595 HB1 ALA 81 HB1 ALA 81 11.652 -3.584 -0.939 596 HB2 ALA 81 HB2 ALA 81 10.523 -2.439 -0.215 597 HB3 ALA 81 HB3 ALA 81 10.668 -4.066 0.443 598 H LEU 82 HN LEU 82 11.657 -0.354 0.838 599 HA LEU 82 HA LEU 82 13.449 0.599 -1.117 600 HB2 LEU 82 HB2 LEU 82 11.757 2.055 0.892 601 HB3 LEU 82 HB1 LEU 82 12.693 2.863 -0.345 602 HG LEU 82 HG LEU 82 10.394 0.964 -0.802 603 HD11 LEU 82 HD11 LEU 82 9.259 2.951 -1.665 604 HD12 LEU 82 HD12 LEU 82 10.653 3.934 -1.218 605 HD13 LEU 82 HD13 LEU 82 9.700 3.136 0.034 606 HD21 LEU 82 HD21 LEU 82 12.073 0.752 -2.557 607 HD22 LEU 82 HD22 LEU 82 12.078 2.502 -2.777 608 HD23 LEU 82 HD23 LEU 82 10.634 1.569 -3.167 609 H ALA 83 HN ALA 83 13.743 0.207 2.298 610 HA ALA 83 HA ALA 83 15.854 1.984 2.790 611 HB1 ALA 83 HB1 ALA 83 15.303 -0.686 4.098 612 HB2 ALA 83 HB2 ALA 83 14.617 0.862 4.588 613 HB3 ALA 83 HB3 ALA 83 16.354 0.579 4.737 614 H GLU 84 HN GLU 84 15.726 -1.173 1.357 615 HA GLU 84 HA GLU 84 18.629 -1.301 1.079 616 HB2 GLU 84 HB2 GLU 84 16.467 -3.113 0.008 617 HB3 GLU 84 HB1 GLU 84 18.191 -3.391 -0.141 618 HG2 GLU 84 HG2 GLU 84 18.340 -3.559 2.302 619 HG3 GLU 84 HG1 GLU 84 16.586 -3.358 2.390 620 H ALA 85 HN ALA 85 15.698 -0.917 -0.758 621 HA ALA 85 HA ALA 85 15.136 -0.233 -2.776 622 HB1 ALA 85 HB1 ALA 85 17.850 1.097 -2.890 623 HB2 ALA 85 HB2 ALA 85 16.384 1.827 -2.240 624 HB3 ALA 85 HB3 ALA 85 16.486 1.430 -3.956 625 H ALA 86 HN ALA 86 14.955 -2.202 -3.561 626 HA ALA 86 HA ALA 86 17.181 -3.154 -5.178 627 HB1 ALA 86 HB1 ALA 86 16.537 -5.442 -4.564 628 HB2 ALA 86 HB2 ALA 86 15.303 -4.801 -3.479 629 HB3 ALA 86 HB3 ALA 86 17.009 -4.501 -3.149 630 H281 PSR 87 H28A PSR 87 -8.135 -10.727 -6.215 631 H282 PSR 87 H28B PSR 87 -7.522 -9.734 -4.894 632 H301 PSR 87 H30A PSR 87 -5.489 -9.601 -6.107 633 H302 PSR 87 H30B PSR 87 -6.061 -10.693 -7.387 634 H303 PSR 87 H30C PSR 87 -4.536 -11.019 -6.540 635 H311 PSR 87 H31A PSR 87 -5.333 -10.230 -3.846 636 H312 PSR 87 H31B PSR 87 -4.494 -11.729 -4.202 637 H313 PSR 87 H31C PSR 87 -6.004 -11.756 -3.291 638 H321 PSR 87 H32A PSR 87 -5.377 -13.350 -6.019 639 H331 PSR 87 H33A PSR 87 -7.753 -13.645 -6.906 640 H361 PSR 87 H36A PSR 87 -5.904 -13.493 -3.466 641 H371 PSR 87 H37A PSR 87 -8.393 -14.550 -2.583 642 H372 PSR 87 H37B PSR 87 -7.239 -15.834 -2.926 643 H381 PSR 87 H38A PSR 87 -7.078 -15.283 -0.614 644 H382 PSR 87 H38B PSR 87 -5.596 -14.739 -1.420 645 H411 PSR 87 H41A PSR 87 -5.069 -13.270 0.047 646 H421 PSR 87 H42A PSR 87 -6.796 -10.911 0.587 647 H422 PSR 87 H42B PSR 87 -5.630 -11.598 1.693 648 H431 PSR 87 H43A PSR 87 -3.808 -11.097 0.007 649 H432 PSR 87 H43B PSR 87 -4.560 -9.779 0.889 650 HC21 PSR 87 H2A PSR 87 -2.772 -10.724 -0.755 651 HC22 PSR 87 H2B PSR 87 -1.709 -9.362 -1.095 652 HC31 PSR 87 H3A PSR 87 -2.606 -11.371 -3.181 653 HC32 PSR 87 H3B PSR 87 -1.101 -11.513 -2.259 654 HC41 PSR 87 H4C PSR 87 -0.711 -10.521 -4.453 655 HC42 PSR 87 H4A PSR 87 -0.351 -9.375 -3.161 656 HC43 PSR 87 H4B PSR 87 -1.852 -9.228 -4.076 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 18.500 10.438 9.205 2 H2 MET 1 HT2 MET 1 17.123 9.901 8.401 3 H3 MET 1 HT3 MET 1 18.367 10.618 7.521 4 HA MET 1 HA MET 1 19.857 8.847 8.047 5 HB2 MET 1 HB2 MET 1 18.863 8.124 10.162 6 HB3 MET 1 HB1 MET 1 17.387 7.650 9.335 7 HG2 MET 1 HG2 MET 1 18.636 5.918 8.129 8 HG3 MET 1 HG1 MET 1 20.098 6.380 8.999 9 HE1 MET 1 HE1 MET 1 19.249 5.368 12.674 10 HE2 MET 1 HE2 MET 1 19.071 6.954 11.923 11 HE3 MET 1 HE3 MET 1 20.492 5.968 11.576 12 H ALA 2 HN ALA 2 16.400 8.238 7.336 13 HA ALA 2 HA ALA 2 17.242 7.323 4.685 14 HB1 ALA 2 HB1 ALA 2 16.600 5.405 6.067 15 HB2 ALA 2 HB2 ALA 2 15.426 5.682 4.782 16 HB3 ALA 2 HB3 ALA 2 15.058 6.179 6.432 17 H THR 3 HN THR 3 15.698 7.739 3.049 18 HA THR 3 HA THR 3 13.647 9.669 3.817 19 HB THR 3 HB THR 3 15.398 10.739 2.460 20 HG1 THR 3 HG1 THR 3 12.889 10.441 1.160 21 HG21 THR 3 HG21 THR 3 16.331 8.824 1.276 22 HG22 THR 3 HG22 THR 3 15.875 10.079 0.123 23 HG23 THR 3 HG23 THR 3 14.852 8.659 0.328 24 H LEU 4 HN LEU 4 11.840 8.549 3.909 25 HA LEU 4 HA LEU 4 11.433 6.401 1.955 26 HB2 LEU 4 HB2 LEU 4 10.568 6.511 4.836 27 HB3 LEU 4 HB1 LEU 4 10.184 5.226 3.705 28 HG LEU 4 HG LEU 4 12.972 5.947 4.624 29 HD11 LEU 4 HD11 LEU 4 11.189 3.658 5.401 30 HD12 LEU 4 HD12 LEU 4 11.669 5.001 6.434 31 HD13 LEU 4 HD13 LEU 4 12.879 3.843 5.868 32 HD21 LEU 4 HD21 LEU 4 11.972 3.631 2.966 33 HD22 LEU 4 HD22 LEU 4 13.624 3.847 3.540 34 HD23 LEU 4 HD23 LEU 4 12.936 4.985 2.379 35 H LEU 5 HN LEU 5 9.013 5.756 2.109 36 HA LEU 5 HA LEU 5 7.547 7.927 0.987 37 HB2 LEU 5 HB2 LEU 5 6.627 5.171 1.768 38 HB3 LEU 5 HB1 LEU 5 5.710 6.311 0.812 39 HG LEU 5 HG LEU 5 8.297 5.005 0.009 40 HD11 LEU 5 HD11 LEU 5 5.469 4.633 -0.974 41 HD12 LEU 5 HD12 LEU 5 6.397 3.480 -0.014 42 HD13 LEU 5 HD13 LEU 5 6.906 3.873 -1.658 43 HD21 LEU 5 HD21 LEU 5 8.114 7.257 -0.862 44 HD22 LEU 5 HD22 LEU 5 6.490 6.900 -1.453 45 HD23 LEU 5 HD23 LEU 5 7.883 6.070 -2.149 46 H THR 6 HN THR 6 6.214 9.289 1.987 47 HA THR 6 HA THR 6 5.509 8.729 4.740 48 HB THR 6 HB THR 6 4.833 11.144 4.743 49 HG1 THR 6 HG1 THR 6 5.688 12.325 2.853 50 HG21 THR 6 HG21 THR 6 7.099 10.494 5.457 51 HG22 THR 6 HG22 THR 6 7.120 12.054 4.634 52 HG23 THR 6 HG23 THR 6 7.654 10.600 3.786 53 H THR 7 HN THR 7 3.149 9.874 5.159 54 HA THR 7 HA THR 7 1.226 8.272 4.065 55 HB THR 7 HB THR 7 0.776 11.078 5.078 56 HG1 THR 7 HG1 THR 7 0.587 9.567 7.117 57 HG21 THR 7 HG21 THR 7 -1.293 10.082 5.954 58 HG22 THR 7 HG22 THR 7 -0.831 8.515 5.290 59 HG23 THR 7 HG23 THR 7 -1.188 9.862 4.207 60 H ASP 8 HN ASP 8 2.321 11.483 3.071 61 HA ASP 8 HA ASP 8 0.331 12.153 1.249 62 HB2 ASP 8 HB2 ASP 8 3.218 12.956 1.413 63 HB3 ASP 8 HB1 ASP 8 2.182 13.543 0.121 64 H ASP 9 HN ASP 9 3.449 10.615 0.539 65 HA ASP 9 HA ASP 9 2.730 10.326 -2.199 66 HB2 ASP 9 HB2 ASP 9 5.108 10.444 -1.425 67 HB3 ASP 9 HB1 ASP 9 4.924 8.810 -0.784 68 H LEU 10 HN LEU 10 2.402 8.312 0.607 69 HA LEU 10 HA LEU 10 1.804 5.926 -0.789 70 HB2 LEU 10 HB2 LEU 10 2.466 6.026 1.592 71 HB3 LEU 10 HB1 LEU 10 0.918 6.748 1.976 72 HG LEU 10 HG LEU 10 -0.175 4.668 1.114 73 HD11 LEU 10 HD11 LEU 10 2.648 3.619 1.083 74 HD12 LEU 10 HD12 LEU 10 1.603 3.866 -0.315 75 HD13 LEU 10 HD13 LEU 10 1.185 2.653 0.895 76 HD21 LEU 10 HD21 LEU 10 0.335 3.330 3.092 77 HD22 LEU 10 HD22 LEU 10 0.141 5.036 3.493 78 HD23 LEU 10 HD23 LEU 10 1.753 4.329 3.402 79 H ARG 11 HN ARG 11 -0.087 8.711 0.062 80 HA ARG 11 HA ARG 11 -2.705 7.834 -0.108 81 HB2 ARG 11 HB2 ARG 11 -1.530 10.446 -1.057 82 HB3 ARG 11 HB1 ARG 11 -3.256 10.132 -1.019 83 HG2 ARG 11 HG2 ARG 11 -3.237 9.908 1.332 84 HG3 ARG 11 HG1 ARG 11 -1.468 9.979 1.392 85 HD2 ARG 11 HD2 ARG 11 -1.582 12.278 0.504 86 HD3 ARG 11 HD1 ARG 11 -3.345 12.185 0.539 87 HE ARG 11 HE ARG 11 -2.669 11.576 3.072 88 HH11 ARG 11 HH11 ARG 11 -1.689 14.319 1.001 89 HH12 ARG 11 HH12 ARG 11 -1.546 15.375 2.316 90 HH21 ARG 11 HH21 ARG 11 -2.463 13.110 4.837 91 HH22 ARG 11 HH22 ARG 11 -1.989 14.712 4.479 92 H ARG 12 HN ARG 12 -0.745 9.045 -2.783 93 HA ARG 12 HA ARG 12 -2.657 8.596 -4.771 94 HB2 ARG 12 HB2 ARG 12 -0.822 8.819 -6.404 95 HB3 ARG 12 HB1 ARG 12 -0.836 10.090 -5.187 96 HG2 ARG 12 HG2 ARG 12 0.968 8.901 -3.984 97 HG3 ARG 12 HG1 ARG 12 1.011 7.713 -5.285 98 HD2 ARG 12 HD2 ARG 12 2.758 9.485 -5.451 99 HD3 ARG 12 HD1 ARG 12 1.702 9.378 -6.862 100 HE ARG 12 HE ARG 12 0.520 11.302 -6.040 101 HH11 ARG 12 HH11 ARG 12 3.750 10.849 -4.467 102 HH12 ARG 12 HH12 ARG 12 3.832 12.521 -4.146 103 HH21 ARG 12 HH21 ARG 12 0.739 13.419 -5.463 104 HH22 ARG 12 HH22 ARG 12 2.167 13.986 -4.677 105 H ALA 13 HN ALA 13 -0.379 6.406 -3.340 106 HA ALA 13 HA ALA 13 -0.501 4.413 -5.362 107 HB1 ALA 13 HB1 ALA 13 1.297 4.505 -3.711 108 HB2 ALA 13 HB2 ALA 13 0.479 2.944 -3.691 109 HB3 ALA 13 HB3 ALA 13 0.137 4.137 -2.436 110 H LEU 14 HN LEU 14 -2.032 4.657 -2.193 111 HA LEU 14 HA LEU 14 -3.685 2.378 -2.464 112 HB2 LEU 14 HB2 LEU 14 -3.668 4.730 -0.618 113 HB3 LEU 14 HB1 LEU 14 -5.065 3.686 -0.642 114 HG LEU 14 HG LEU 14 -3.580 3.157 1.198 115 HD11 LEU 14 HD11 LEU 14 -3.341 0.768 0.850 116 HD12 LEU 14 HD12 LEU 14 -3.629 0.998 -0.876 117 HD13 LEU 14 HD13 LEU 14 -4.899 1.376 0.288 118 HD21 LEU 14 HD21 LEU 14 -1.453 3.833 0.257 119 HD22 LEU 14 HD22 LEU 14 -1.526 2.504 -0.900 120 HD23 LEU 14 HD23 LEU 14 -1.378 2.166 0.825 121 H VAL 15 HN VAL 15 -4.394 5.815 -2.762 122 HA VAL 15 HA VAL 15 -7.092 5.480 -3.300 123 HB VAL 15 HB VAL 15 -5.262 7.855 -3.807 124 HG11 VAL 15 HG11 VAL 15 -7.133 7.950 -5.380 125 HG12 VAL 15 HG12 VAL 15 -7.278 9.182 -4.122 126 HG13 VAL 15 HG13 VAL 15 -8.265 7.720 -4.048 127 HG21 VAL 15 HG21 VAL 15 -7.374 7.289 -1.752 128 HG22 VAL 15 HG22 VAL 15 -6.401 8.765 -1.895 129 HG23 VAL 15 HG23 VAL 15 -5.627 7.236 -1.502 130 H GLU 16 HN GLU 16 -4.376 5.486 -5.509 131 HA GLU 16 HA GLU 16 -5.618 5.715 -7.998 132 HB2 GLU 16 HB2 GLU 16 -3.111 5.501 -7.318 133 HB3 GLU 16 HB1 GLU 16 -3.376 3.776 -7.401 134 HG2 GLU 16 HG2 GLU 16 -3.722 5.695 -9.703 135 HG3 GLU 16 HG1 GLU 16 -2.269 4.769 -9.378 136 H SER 17 HN SER 17 -4.886 2.786 -6.113 137 HA SER 17 HA SER 17 -6.221 1.016 -7.866 138 HB2 SER 17 HB2 SER 17 -5.776 -0.626 -5.926 139 HB3 SER 17 HB1 SER 17 -4.419 0.166 -6.686 140 HG SER 17 HG SER 17 -5.450 1.599 -4.554 141 H ALA 18 HN ALA 18 -7.401 3.029 -5.388 142 HA ALA 18 HA ALA 18 -9.710 1.361 -4.835 143 HB1 ALA 18 HB1 ALA 18 -8.711 2.666 -3.012 144 HB2 ALA 18 HB2 ALA 18 -10.382 3.158 -3.307 145 HB3 ALA 18 HB3 ALA 18 -9.052 4.157 -3.892 146 H GLY 19 HN GLY 19 -8.897 4.338 -6.511 147 HA2 GLY 19 HA2 GLY 19 -10.783 4.057 -8.522 148 HA3 GLY 19 HA1 GLY 19 -11.498 5.077 -7.273 149 H GLU 20 HN GLU 20 -9.719 6.622 -6.362 150 HA GLU 20 HA GLU 20 -8.566 8.492 -6.596 151 HB2 GLU 20 HB2 GLU 20 -6.809 7.101 -7.632 152 HB3 GLU 20 HB1 GLU 20 -7.558 7.306 -9.204 153 HG2 GLU 20 HG2 GLU 20 -6.985 9.615 -9.246 154 HG3 GLU 20 HG1 GLU 20 -6.445 9.567 -7.567 155 H THR 21 HN THR 21 -10.180 9.753 -6.549 156 HA THR 21 HA THR 21 -11.586 11.408 -7.105 157 HB THR 21 HB THR 21 -10.539 11.334 -9.970 158 HG1 THR 21 HG1 THR 21 -9.337 12.070 -7.581 159 HG21 THR 21 HG21 THR 21 -12.495 12.783 -9.524 160 HG22 THR 21 HG22 THR 21 -11.064 13.741 -9.903 161 HG23 THR 21 HG23 THR 21 -11.600 13.581 -8.231 162 H ASP 22 HN ASP 22 -12.509 9.123 -6.859 163 HA ASP 22 HA ASP 22 -14.355 8.522 -9.098 164 HB2 ASP 22 HB2 ASP 22 -12.777 6.749 -8.915 165 HB3 ASP 22 HB1 ASP 22 -12.903 6.718 -7.169 166 H GLY 23 HN GLY 23 -13.817 8.741 -5.660 167 HA2 GLY 23 HA2 GLY 23 -15.768 9.506 -4.335 168 HA3 GLY 23 HA1 GLY 23 -16.670 8.225 -5.163 169 H THR 24 HN THR 24 -14.633 6.369 -5.346 170 HA THR 24 HA THR 24 -14.429 5.371 -2.655 171 HB THR 24 HB THR 24 -13.091 4.255 -5.144 172 HG1 THR 24 HG1 THR 24 -15.141 4.414 -5.788 173 HG21 THR 24 HG21 THR 24 -14.227 2.939 -2.660 174 HG22 THR 24 HG22 THR 24 -12.513 3.216 -2.979 175 HG23 THR 24 HG23 THR 24 -13.430 2.103 -3.993 176 H ASP 25 HN ASP 25 -13.293 7.433 -2.166 177 HA ASP 25 HA ASP 25 -10.434 7.308 -2.775 178 HB2 ASP 25 HB2 ASP 25 -12.248 9.703 -2.578 179 HB3 ASP 25 HB1 ASP 25 -10.511 9.836 -2.379 180 H LEU 26 HN LEU 26 -9.152 7.452 -1.151 181 HA LEU 26 HA LEU 26 -10.211 7.391 1.565 182 HB2 LEU 26 HB2 LEU 26 -7.349 7.251 0.617 183 HB3 LEU 26 HB1 LEU 26 -7.987 6.709 2.160 184 HG LEU 26 HG LEU 26 -8.623 5.460 -0.511 185 HD11 LEU 26 HD11 LEU 26 -6.818 4.523 1.690 186 HD12 LEU 26 HD12 LEU 26 -6.330 5.086 0.092 187 HD13 LEU 26 HD13 LEU 26 -7.265 3.600 0.257 188 HD21 LEU 26 HD21 LEU 26 -9.301 4.587 2.287 189 HD22 LEU 26 HD22 LEU 26 -9.618 3.671 0.813 190 HD23 LEU 26 HD23 LEU 26 -10.434 5.213 1.087 191 H SER 27 HN SER 27 -7.730 9.034 -0.250 192 HA SER 27 HA SER 27 -7.148 11.194 -0.586 193 HB2 SER 27 HB2 SER 27 -9.617 11.797 0.914 194 HB3 SER 27 HB1 SER 27 -8.707 12.949 -0.076 195 HG SER 27 HG SER 27 -10.652 11.498 -0.846 196 H GLY 28 HN GLY 28 -6.295 9.796 1.894 197 HA2 GLY 28 HA2 GLY 28 -4.546 11.410 3.031 198 HA3 GLY 28 HA1 GLY 28 -6.015 12.109 3.690 199 H ASP 29 HN ASP 29 -7.396 10.651 4.944 200 HA ASP 29 HA ASP 29 -5.648 9.027 6.584 201 HB2 ASP 29 HB2 ASP 29 -7.364 8.967 8.314 202 HB3 ASP 29 HB1 ASP 29 -7.111 10.620 7.802 203 H PHE 30 HN PHE 30 -5.416 7.130 6.373 204 HA PHE 30 HA PHE 30 -7.421 5.187 5.828 205 HB2 PHE 30 HB2 PHE 30 -6.652 4.400 3.580 206 HB3 PHE 30 HB1 PHE 30 -7.102 6.081 3.526 207 HD1 PHE 30 HD1 PHE 30 -4.237 3.773 3.478 208 HD2 PHE 30 HD2 PHE 30 -5.555 7.778 3.024 209 HE1 PHE 30 HE1 PHE 30 -2.067 4.370 2.501 210 HE2 PHE 30 HE2 PHE 30 -3.385 8.380 2.043 211 HZ PHE 30 HZ PHE 30 -1.638 6.680 1.785 212 H LEU 31 HN LEU 31 -4.153 6.192 6.075 213 HA LEU 31 HA LEU 31 -2.594 3.980 6.087 214 HB2 LEU 31 HB2 LEU 31 -1.868 6.303 6.117 215 HB3 LEU 31 HB1 LEU 31 -2.375 6.451 7.782 216 HG LEU 31 HG LEU 31 -0.602 4.876 8.438 217 HD11 LEU 31 HD11 LEU 31 0.151 5.010 5.523 218 HD12 LEU 31 HD12 LEU 31 -0.488 3.593 6.361 219 HD13 LEU 31 HD13 LEU 31 1.091 4.241 6.803 220 HD21 LEU 31 HD21 LEU 31 0.312 7.185 6.739 221 HD22 LEU 31 HD22 LEU 31 1.251 6.380 7.996 222 HD23 LEU 31 HD23 LEU 31 -0.207 7.273 8.423 223 H ASP 32 HN ASP 32 -4.560 5.162 8.744 224 HA ASP 32 HA ASP 32 -3.483 3.071 10.505 225 HB2 ASP 32 HB2 ASP 32 -3.668 5.428 11.298 226 HB3 ASP 32 HB1 ASP 32 -5.417 5.290 11.168 227 H LEU 33 HN LEU 33 -6.041 3.491 8.416 228 HA LEU 33 HA LEU 33 -7.944 1.905 9.937 229 HB2 LEU 33 HB2 LEU 33 -8.165 3.194 7.202 230 HB3 LEU 33 HB1 LEU 33 -9.426 2.240 7.941 231 HG LEU 33 HG LEU 33 -9.526 3.986 9.777 232 HD11 LEU 33 HD11 LEU 33 -8.668 6.216 9.291 233 HD12 LEU 33 HD12 LEU 33 -7.855 5.594 7.857 234 HD13 LEU 33 HD13 LEU 33 -7.362 5.039 9.458 235 HD21 LEU 33 HD21 LEU 33 -11.188 3.867 8.017 236 HD22 LEU 33 HD22 LEU 33 -10.168 4.852 6.966 237 HD23 LEU 33 HD23 LEU 33 -10.849 5.548 8.435 238 H ARG 34 HN ARG 34 -8.457 -0.206 9.370 239 HA ARG 34 HA ARG 34 -6.365 -1.570 7.965 240 HB2 ARG 34 HB2 ARG 34 -7.802 -2.387 10.010 241 HB3 ARG 34 HB1 ARG 34 -8.979 -2.856 8.796 242 HG2 ARG 34 HG2 ARG 34 -6.133 -3.844 8.766 243 HG3 ARG 34 HG1 ARG 34 -7.412 -4.656 9.658 244 HD2 ARG 34 HD2 ARG 34 -8.336 -5.516 7.775 245 HD3 ARG 34 HD1 ARG 34 -7.969 -4.078 6.815 246 HE ARG 34 HE ARG 34 -5.561 -5.039 7.208 247 HH11 ARG 34 HH11 ARG 34 -8.416 -6.996 6.339 248 HH12 ARG 34 HH12 ARG 34 -7.540 -7.902 5.200 249 HH21 ARG 34 HH21 ARG 34 -4.406 -6.405 5.637 250 HH22 ARG 34 HH22 ARG 34 -5.241 -7.577 4.799 251 H PHE 35 HN PHE 35 -6.492 -2.610 5.967 252 HA PHE 35 HA PHE 35 -7.523 -1.248 3.876 253 HB2 PHE 35 HB2 PHE 35 -6.861 -4.172 3.996 254 HB3 PHE 35 HB1 PHE 35 -7.211 -3.330 2.495 255 HD1 PHE 35 HD2 PHE 35 -5.732 -1.413 1.823 256 HD2 PHE 35 HD1 PHE 35 -4.750 -4.094 4.973 257 HE1 PHE 35 HE2 PHE 35 -3.373 -0.748 1.651 258 HE2 PHE 35 HE1 PHE 35 -2.393 -3.433 4.807 259 HZ PHE 35 HZ PHE 35 -1.701 -1.759 3.140 260 H GLU 36 HN GLU 36 -9.155 -4.104 5.237 261 HA GLU 36 HA GLU 36 -11.289 -4.146 3.457 262 HB2 GLU 36 HB2 GLU 36 -11.162 -5.055 6.327 263 HB3 GLU 36 HB1 GLU 36 -12.482 -5.442 5.220 264 HG2 GLU 36 HG2 GLU 36 -11.036 -6.680 3.801 265 HG3 GLU 36 HG1 GLU 36 -9.609 -6.116 4.662 266 H ASP 37 HN ASP 37 -10.756 -2.034 6.201 267 HA ASP 37 HA ASP 37 -13.498 -1.114 6.262 268 HB2 ASP 37 HB2 ASP 37 -11.022 -0.142 7.705 269 HB3 ASP 37 HB1 ASP 37 -12.609 0.580 7.893 270 H ILE 38 HN ILE 38 -10.648 -0.424 4.546 271 HA ILE 38 HA ILE 38 -11.771 2.146 3.822 272 HB ILE 38 HB ILE 38 -9.567 2.629 2.640 273 HG12 ILE 38 HG12 ILE 38 -8.606 0.321 4.348 274 HG13 ILE 38 HG11 ILE 38 -8.737 0.290 2.600 275 HG21 ILE 38 HG21 ILE 38 -10.179 3.702 4.694 276 HG22 ILE 38 HG22 ILE 38 -8.455 3.329 4.703 277 HG23 ILE 38 HG23 ILE 38 -9.577 2.333 5.627 278 HD11 ILE 38 HD11 ILE 38 -7.029 2.065 2.470 279 HD12 ILE 38 HD12 ILE 38 -6.451 0.599 3.247 280 HD13 ILE 38 HD13 ILE 38 -6.868 2.009 4.231 281 H GLY 39 HN GLY 39 -12.245 -0.763 2.836 282 HA2 GLY 39 HA2 GLY 39 -13.729 -1.099 1.031 283 HA3 GLY 39 HA1 GLY 39 -12.988 0.257 0.203 284 H TYR 40 HN TYR 40 -10.746 -1.985 1.542 285 HA TYR 40 HA TYR 40 -10.306 -2.874 -1.190 286 HB2 TYR 40 HB2 TYR 40 -8.256 -3.070 1.085 287 HB3 TYR 40 HB1 TYR 40 -8.077 -3.524 -0.568 288 HD1 TYR 40 HD2 TYR 40 -9.427 -0.422 0.986 289 HD2 TYR 40 HD1 TYR 40 -6.671 -2.154 -1.715 290 HE1 TYR 40 HE2 TYR 40 -8.704 1.808 0.317 291 HE2 TYR 40 HE1 TYR 40 -5.939 0.084 -2.401 292 HH TYR 40 HH TYR 40 -6.735 2.336 -2.395 293 H ASP 41 HN ASP 41 -10.620 -4.763 -1.829 294 HA ASP 41 HA ASP 41 -11.753 -6.698 -0.038 295 HB2 ASP 41 HB2 ASP 41 -12.087 -7.944 -2.279 296 HB3 ASP 41 HB1 ASP 41 -13.024 -6.490 -1.983 297 H SER 42 HN SER 42 -9.263 -6.604 -2.443 298 HA SER 42 HA SER 42 -7.226 -7.954 -1.096 299 HB2 SER 42 HB2 SER 42 -7.385 -10.142 -2.372 300 HB3 SER 42 HB1 SER 42 -8.645 -9.930 -1.144 301 H LEU 43 HN LEU 43 -8.917 -7.860 -4.168 302 HA LEU 43 HA LEU 43 -6.666 -7.708 -5.865 303 HB2 LEU 43 HB2 LEU 43 -9.026 -8.399 -6.496 304 HB3 LEU 43 HB1 LEU 43 -9.482 -6.719 -6.398 305 HG LEU 43 HG LEU 43 -9.218 -7.547 -8.714 306 HD11 LEU 43 HD11 LEU 43 -7.856 -5.736 -9.627 307 HD12 LEU 43 HD12 LEU 43 -7.225 -5.396 -8.022 308 HD13 LEU 43 HD13 LEU 43 -8.942 -5.172 -8.360 309 HD21 LEU 43 HD21 LEU 43 -7.448 -9.158 -8.362 310 HD22 LEU 43 HD22 LEU 43 -6.309 -7.864 -7.994 311 HD23 LEU 43 HD23 LEU 43 -6.986 -8.009 -9.616 312 H ALA 44 HN ALA 44 -8.801 -5.302 -4.421 313 HA ALA 44 HA ALA 44 -7.616 -3.079 -5.625 314 HB1 ALA 44 HB1 ALA 44 -8.916 -3.193 -2.903 315 HB2 ALA 44 HB2 ALA 44 -9.758 -2.971 -4.440 316 HB3 ALA 44 HB3 ALA 44 -8.627 -1.744 -3.869 317 H LEU 45 HN LEU 45 -6.714 -4.799 -2.649 318 HA LEU 45 HA LEU 45 -4.722 -2.937 -1.821 319 HB2 LEU 45 HB2 LEU 45 -5.852 -4.778 -0.408 320 HB3 LEU 45 HB1 LEU 45 -4.752 -5.898 -1.172 321 HG LEU 45 HG LEU 45 -3.932 -3.595 0.645 322 HD11 LEU 45 HD11 LEU 45 -3.352 -5.306 2.222 323 HD12 LEU 45 HD12 LEU 45 -4.036 -6.549 1.163 324 HD13 LEU 45 HD13 LEU 45 -5.081 -5.306 1.873 325 HD21 LEU 45 HD21 LEU 45 -2.257 -5.857 -0.468 326 HD22 LEU 45 HD22 LEU 45 -1.713 -4.639 0.689 327 HD23 LEU 45 HD23 LEU 45 -2.144 -4.167 -0.956 328 H MET 46 HN MET 46 -4.657 -5.855 -3.723 329 HA MET 46 HA MET 46 -1.806 -5.888 -4.033 330 HB2 MET 46 HB2 MET 46 -2.018 -7.618 -5.701 331 HB3 MET 46 HB1 MET 46 -3.192 -7.931 -4.439 332 HG2 MET 46 HG2 MET 46 -4.447 -8.359 -6.329 333 HG3 MET 46 HG1 MET 46 -4.771 -6.650 -5.977 334 HE1 MET 46 HE1 MET 46 -1.788 -7.932 -9.275 335 HE2 MET 46 HE2 MET 46 -2.618 -9.094 -8.238 336 HE3 MET 46 HE3 MET 46 -1.430 -7.988 -7.548 337 H GLU 47 HN GLU 47 -4.347 -4.343 -5.808 338 HA GLU 47 HA GLU 47 -2.852 -3.548 -8.053 339 HB2 GLU 47 HB2 GLU 47 -5.353 -3.571 -7.812 340 HB3 GLU 47 HB1 GLU 47 -5.219 -2.181 -6.754 341 HG2 GLU 47 HG2 GLU 47 -5.874 -1.438 -8.909 342 HG3 GLU 47 HG1 GLU 47 -4.214 -0.924 -8.628 343 H THR 48 HN THR 48 -3.306 -2.224 -4.808 344 HA THR 48 HA THR 48 -2.014 0.250 -5.046 345 HB THR 48 HB THR 48 -1.964 -1.673 -2.710 346 HG1 THR 48 HG1 THR 48 -3.999 -0.073 -3.756 347 HG21 THR 48 HG21 THR 48 -1.787 0.372 -1.359 348 HG22 THR 48 HG22 THR 48 -1.753 1.334 -2.838 349 HG23 THR 48 HG23 THR 48 -0.441 0.209 -2.484 350 H ALA 49 HN ALA 49 -0.855 -2.917 -3.958 351 HA ALA 49 HA ALA 49 1.822 -2.308 -3.539 352 HB1 ALA 49 HB1 ALA 49 0.761 -4.358 -2.711 353 HB2 ALA 49 HB2 ALA 49 2.231 -4.701 -3.640 354 HB3 ALA 49 HB3 ALA 49 0.650 -4.955 -4.372 355 H ALA 50 HN ALA 50 0.279 -3.759 -6.382 356 HA ALA 50 HA ALA 50 2.499 -4.129 -7.978 357 HB1 ALA 50 HB1 ALA 50 -0.276 -3.375 -8.890 358 HB2 ALA 50 HB2 ALA 50 0.272 -5.003 -8.492 359 HB3 ALA 50 HB3 ALA 50 0.968 -4.150 -9.872 360 H ARG 51 HN ARG 51 0.607 -1.212 -7.512 361 HA ARG 51 HA ARG 51 1.805 0.394 -9.529 362 HB2 ARG 51 HB2 ARG 51 -0.291 0.994 -8.305 363 HB3 ARG 51 HB1 ARG 51 0.648 1.220 -6.847 364 HG2 ARG 51 HG2 ARG 51 0.389 3.387 -7.526 365 HG3 ARG 51 HG1 ARG 51 1.918 2.997 -8.305 366 HD2 ARG 51 HD2 ARG 51 -0.796 2.890 -9.633 367 HD3 ARG 51 HD1 ARG 51 0.336 4.226 -9.766 368 HE ARG 51 HE ARG 51 1.846 2.319 -10.730 369 HH11 ARG 51 HH11 ARG 51 -1.650 2.732 -11.292 370 HH12 ARG 51 HH12 ARG 51 -1.580 2.191 -12.906 371 HH21 ARG 51 HH21 ARG 51 1.878 1.489 -12.936 372 HH22 ARG 51 HH22 ARG 51 0.436 1.440 -13.827 373 H LEU 52 HN LEU 52 2.467 0.147 -6.038 374 HA LEU 52 HA LEU 52 4.701 1.885 -6.227 375 HB2 LEU 52 HB2 LEU 52 3.872 0.052 -4.007 376 HB3 LEU 52 HB1 LEU 52 5.249 1.136 -3.909 377 HG LEU 52 HG LEU 52 2.361 1.942 -4.245 378 HD11 LEU 52 HD11 LEU 52 4.290 2.339 -1.976 379 HD12 LEU 52 HD12 LEU 52 2.946 1.194 -2.005 380 HD13 LEU 52 HD13 LEU 52 2.631 2.934 -2.045 381 HD21 LEU 52 HD21 LEU 52 3.175 4.241 -4.065 382 HD22 LEU 52 HD22 LEU 52 3.830 3.441 -5.492 383 HD23 LEU 52 HD23 LEU 52 4.839 3.656 -4.061 384 H GLU 53 HN GLU 53 4.444 -1.608 -6.271 385 HA GLU 53 HA GLU 53 7.140 -2.178 -6.062 386 HB2 GLU 53 HB2 GLU 53 4.980 -3.648 -7.559 387 HB3 GLU 53 HB1 GLU 53 6.609 -4.274 -7.343 388 HG2 GLU 53 HG2 GLU 53 6.249 -4.128 -4.872 389 HG3 GLU 53 HG1 GLU 53 4.587 -3.679 -5.215 390 H SER 54 HN SER 54 5.184 -1.665 -8.963 391 HA SER 54 HA SER 54 7.308 -1.844 -10.803 392 HB2 SER 54 HB2 SER 54 5.646 -0.719 -12.362 393 HB3 SER 54 HB1 SER 54 5.002 -2.129 -11.513 394 HG SER 54 HG SER 54 3.716 -0.960 -10.444 395 H ARG 55 HN ARG 55 5.839 0.853 -9.138 396 HA ARG 55 HA ARG 55 7.152 2.954 -10.449 397 HB2 ARG 55 HB2 ARG 55 5.068 3.132 -9.151 398 HB3 ARG 55 HB1 ARG 55 5.981 2.889 -7.678 399 HG2 ARG 55 HG2 ARG 55 7.133 5.006 -8.040 400 HG3 ARG 55 HG1 ARG 55 6.249 5.229 -9.555 401 HD2 ARG 55 HD2 ARG 55 4.131 5.187 -8.343 402 HD3 ARG 55 HD1 ARG 55 4.993 4.931 -6.830 403 HE ARG 55 HE ARG 55 5.430 7.324 -8.450 404 HH11 ARG 55 HH11 ARG 55 4.115 5.872 -5.513 405 HH12 ARG 55 HH12 ARG 55 4.348 7.255 -4.526 406 HH21 ARG 55 HH21 ARG 55 5.574 9.346 -7.080 407 HH22 ARG 55 HH22 ARG 55 5.098 9.204 -5.438 408 H TYR 56 HN TYR 56 7.960 1.358 -7.347 409 HA TYR 56 HA TYR 56 10.399 2.971 -7.321 410 HB2 TYR 56 HB2 TYR 56 9.030 1.518 -5.067 411 HB3 TYR 56 HB1 TYR 56 10.618 2.253 -4.931 412 HD1 TYR 56 HD2 TYR 56 10.890 4.688 -5.259 413 HD2 TYR 56 HD1 TYR 56 7.058 2.878 -4.972 414 HE1 TYR 56 HE2 TYR 56 9.901 6.883 -4.811 415 HE2 TYR 56 HE1 TYR 56 6.050 5.071 -4.522 416 HH TYR 56 HH TYR 56 6.617 7.314 -3.777 417 H GLY 57 HN GLY 57 9.652 0.035 -8.441 418 HA2 GLY 57 HA2 GLY 57 11.066 -1.617 -9.184 419 HA3 GLY 57 HA1 GLY 57 12.411 -0.680 -8.553 420 H VAL 58 HN VAL 58 9.722 -1.728 -6.608 421 HA VAL 58 HA VAL 58 11.577 -3.485 -5.194 422 HB VAL 58 HB VAL 58 10.155 -3.275 -3.176 423 HG11 VAL 58 HG11 VAL 58 11.052 -0.630 -4.301 424 HG12 VAL 58 HG12 VAL 58 12.047 -1.787 -3.417 425 HG13 VAL 58 HG13 VAL 58 10.722 -0.963 -2.601 426 HG21 VAL 58 HG21 VAL 58 8.599 -1.242 -4.787 427 HG22 VAL 58 HG22 VAL 58 8.400 -1.555 -3.062 428 HG23 VAL 58 HG23 VAL 58 8.003 -2.812 -4.233 429 H SER 59 HN SER 59 10.297 -5.262 -3.935 430 HA SER 59 HA SER 59 8.157 -6.344 -5.583 431 HB2 SER 59 HB2 SER 59 10.724 -7.809 -4.935 432 HB3 SER 59 HB1 SER 59 9.286 -8.568 -5.625 433 HG SER 59 HG SER 59 9.471 -6.939 -7.307 434 H ILE 60 HN ILE 60 6.586 -6.905 -4.378 435 HA ILE 60 HA ILE 60 6.999 -7.464 -1.529 436 HB ILE 60 HB ILE 60 4.517 -6.645 -3.060 437 HG12 ILE 60 HG12 ILE 60 6.157 -5.164 -0.995 438 HG13 ILE 60 HG11 ILE 60 6.134 -4.841 -2.726 439 HG21 ILE 60 HG21 ILE 60 4.804 -7.185 -0.103 440 HG22 ILE 60 HG22 ILE 60 3.893 -8.155 -1.256 441 HG23 ILE 60 HG23 ILE 60 3.377 -6.506 -0.890 442 HD11 ILE 60 HD11 ILE 60 3.786 -4.224 -2.578 443 HD12 ILE 60 HD12 ILE 60 4.804 -3.247 -1.513 444 HD13 ILE 60 HD13 ILE 60 3.817 -4.544 -0.839 445 HA PRO 61 HA PRO 61 6.084 -11.780 -2.448 446 HB2 PRO 61 HB2 PRO 61 5.595 -11.751 0.487 447 HB3 PRO 61 HB1 PRO 61 6.649 -12.812 -0.467 448 HG2 PRO 61 HG2 PRO 61 7.676 -10.915 1.070 449 HG3 PRO 61 HG1 PRO 61 8.360 -11.245 -0.533 450 HD2 PRO 61 HD2 PRO 61 6.541 -9.037 0.336 451 HD3 PRO 61 HD1 PRO 61 7.948 -8.978 -0.751 452 H ASP 62 HN ASP 62 4.140 -12.606 -2.956 453 HA ASP 62 HA ASP 62 1.668 -11.324 -2.567 454 HB2 ASP 62 HB2 ASP 62 2.128 -14.279 -3.080 455 HB3 ASP 62 HB1 ASP 62 0.599 -13.435 -3.262 456 H ASP 63 HN ASP 63 3.371 -13.652 -0.680 457 HA ASP 63 HA ASP 63 1.231 -14.444 1.036 458 HB2 ASP 63 HB2 ASP 63 4.179 -14.416 1.712 459 HB3 ASP 63 HB1 ASP 63 2.925 -15.343 2.514 460 H VAL 64 HN VAL 64 3.653 -11.918 1.082 461 HA VAL 64 HA VAL 64 2.890 -11.154 3.720 462 HB VAL 64 HB VAL 64 4.824 -9.716 1.861 463 HG11 VAL 64 HG11 VAL 64 5.629 -8.592 3.886 464 HG12 VAL 64 HG12 VAL 64 4.376 -9.395 4.833 465 HG13 VAL 64 HG13 VAL 64 3.928 -8.226 3.591 466 HG21 VAL 64 HG21 VAL 64 5.576 -11.964 2.419 467 HG22 VAL 64 HG22 VAL 64 5.336 -11.632 4.135 468 HG23 VAL 64 HG23 VAL 64 6.573 -10.756 3.231 469 H ALA 65 HN ALA 65 2.124 -10.178 0.468 470 HA ALA 65 HA ALA 65 0.794 -7.767 1.085 471 HB1 ALA 65 HB1 ALA 65 -0.377 -8.035 -1.048 472 HB2 ALA 65 HB2 ALA 65 0.149 -9.712 -1.149 473 HB3 ALA 65 HB3 ALA 65 1.335 -8.402 -1.226 474 H GLY 66 HN GLY 66 -0.127 -11.088 1.461 475 HA2 GLY 66 HA2 GLY 66 -2.840 -10.355 2.249 476 HA3 GLY 66 HA1 GLY 66 -2.195 -11.989 2.131 477 H ARG 67 HN ARG 67 0.081 -10.278 3.644 478 HA ARG 67 HA ARG 67 -0.738 -11.241 6.290 479 HB2 ARG 67 HB2 ARG 67 1.359 -12.099 5.318 480 HB3 ARG 67 HB1 ARG 67 1.984 -10.472 5.192 481 HG2 ARG 67 HG2 ARG 67 1.909 -10.319 7.671 482 HG3 ARG 67 HG1 ARG 67 1.390 -12.010 7.712 483 HD2 ARG 67 HD2 ARG 67 3.430 -12.661 6.520 484 HD3 ARG 67 HD1 ARG 67 3.950 -10.979 6.501 485 HE ARG 67 HE ARG 67 3.407 -12.072 9.115 486 HH11 ARG 67 HH11 ARG 67 5.898 -11.654 6.634 487 HH12 ARG 67 HH12 ARG 67 7.221 -11.687 7.708 488 HH21 ARG 67 HH21 ARG 67 5.203 -12.189 10.619 489 HH22 ARG 67 HH22 ARG 67 6.795 -12.016 10.059 490 H VAL 68 HN VAL 68 -0.143 -8.393 4.460 491 HA VAL 68 HA VAL 68 0.442 -6.690 6.676 492 HB VAL 68 HB VAL 68 0.187 -4.799 4.994 493 HG11 VAL 68 HG11 VAL 68 2.343 -5.779 5.498 494 HG12 VAL 68 HG12 VAL 68 2.238 -5.347 3.790 495 HG13 VAL 68 HG13 VAL 68 2.078 -7.031 4.285 496 HG21 VAL 68 HG21 VAL 68 -0.148 -7.083 3.048 497 HG22 VAL 68 HG22 VAL 68 0.089 -5.388 2.621 498 HG23 VAL 68 HG23 VAL 68 -1.379 -5.891 3.460 499 H ASP 69 HN ASP 69 -0.842 -6.014 8.012 500 HA ASP 69 HA ASP 69 -3.713 -6.293 7.668 501 HB2 ASP 69 HB2 ASP 69 -2.524 -6.989 9.740 502 HB3 ASP 69 HB1 ASP 69 -2.149 -5.304 10.039 503 H THR 70 HN THR 70 -1.564 -3.643 8.699 504 HA THR 70 HA THR 70 -3.702 -1.811 7.936 505 HB THR 70 HB THR 70 -2.316 -0.159 9.262 506 HG1 THR 70 HG1 THR 70 -1.104 -2.116 10.729 507 HG21 THR 70 HG21 THR 70 -3.359 -2.606 10.691 508 HG22 THR 70 HG22 THR 70 -4.322 -1.213 10.192 509 HG23 THR 70 HG23 THR 70 -3.084 -1.033 11.441 510 HA PRO 71 HA PRO 71 -1.263 -0.197 4.534 511 HB2 PRO 71 HB2 PRO 71 -2.113 2.480 5.544 512 HB3 PRO 71 HB1 PRO 71 -2.263 1.798 3.916 513 HG2 PRO 71 HG2 PRO 71 -4.390 1.986 5.467 514 HG3 PRO 71 HG1 PRO 71 -4.132 0.537 4.474 515 HD2 PRO 71 HD2 PRO 71 -3.662 0.932 7.406 516 HD3 PRO 71 HD1 PRO 71 -4.372 -0.457 6.557 517 H ARG 72 HN ARG 72 -1.146 1.236 7.742 518 HA ARG 72 HA ARG 72 1.333 2.435 7.806 519 HB2 ARG 72 HB2 ARG 72 -0.091 2.518 9.731 520 HB3 ARG 72 HB1 ARG 72 -0.131 0.772 9.860 521 HG2 ARG 72 HG2 ARG 72 1.217 1.791 11.619 522 HG3 ARG 72 HG1 ARG 72 2.188 0.750 10.583 523 HD2 ARG 72 HD2 ARG 72 3.394 2.775 11.094 524 HD3 ARG 72 HD1 ARG 72 2.989 2.723 9.383 525 HE ARG 72 HE ARG 72 1.059 4.138 10.922 526 HH11 ARG 72 HH11 ARG 72 4.131 4.380 9.170 527 HH12 ARG 72 HH12 ARG 72 4.161 6.077 9.132 528 HH21 ARG 72 HH21 ARG 72 1.069 6.513 10.856 529 HH22 ARG 72 HH22 ARG 72 2.381 7.318 10.132 530 H GLU 73 HN GLU 73 0.597 -0.966 8.441 531 HA GLU 73 HA GLU 73 3.254 -1.860 8.647 532 HB2 GLU 73 HB2 GLU 73 1.322 -2.999 9.621 533 HB3 GLU 73 HB1 GLU 73 0.707 -3.350 8.018 534 HG2 GLU 73 HG2 GLU 73 2.557 -4.817 7.591 535 HG3 GLU 73 HG1 GLU 73 3.297 -4.377 9.132 536 H LEU 74 HN LEU 74 0.995 -1.734 5.953 537 HA LEU 74 HA LEU 74 2.615 -3.113 4.077 538 HB2 LEU 74 HB2 LEU 74 0.149 -2.799 3.862 539 HB3 LEU 74 HB1 LEU 74 0.393 -1.094 3.607 540 HG LEU 74 HG LEU 74 -0.219 -2.515 1.596 541 HD11 LEU 74 HD11 LEU 74 1.279 -1.324 0.045 542 HD12 LEU 74 HD12 LEU 74 2.313 -0.874 1.402 543 HD13 LEU 74 HD13 LEU 74 0.662 -0.259 1.310 544 HD21 LEU 74 HD21 LEU 74 1.222 -4.411 2.018 545 HD22 LEU 74 HD22 LEU 74 2.654 -3.397 1.843 546 HD23 LEU 74 HD23 LEU 74 1.608 -3.696 0.454 547 H LEU 75 HN LEU 75 2.193 0.340 4.763 548 HA LEU 75 HA LEU 75 3.997 1.446 2.960 549 HB2 LEU 75 HB2 LEU 75 2.488 2.780 4.360 550 HB3 LEU 75 HB1 LEU 75 3.361 2.287 5.796 551 HG LEU 75 HG LEU 75 5.357 3.502 4.956 552 HD11 LEU 75 HD11 LEU 75 5.112 5.082 3.124 553 HD12 LEU 75 HD12 LEU 75 3.485 4.484 2.817 554 HD13 LEU 75 HD13 LEU 75 4.872 3.419 2.582 555 HD21 LEU 75 HD21 LEU 75 2.848 5.159 5.200 556 HD22 LEU 75 HD22 LEU 75 4.498 5.746 5.409 557 HD23 LEU 75 HD23 LEU 75 3.833 4.564 6.536 558 H ASP 76 HN ASP 76 4.454 0.325 6.255 559 HA ASP 76 HA ASP 76 7.185 0.786 6.554 560 HB2 ASP 76 HB2 ASP 76 5.803 0.273 8.448 561 HB3 ASP 76 HB1 ASP 76 5.409 -1.310 7.790 562 H LEU 77 HN LEU 77 5.509 -1.963 5.184 563 HA LEU 77 HA LEU 77 7.709 -3.681 4.857 564 HB2 LEU 77 HB2 LEU 77 5.424 -4.455 4.624 565 HB3 LEU 77 HB1 LEU 77 5.169 -3.400 3.254 566 HG LEU 77 HG LEU 77 6.863 -4.725 1.993 567 HD11 LEU 77 HD11 LEU 77 6.685 -6.579 4.356 568 HD12 LEU 77 HD12 LEU 77 8.100 -5.652 3.858 569 HD13 LEU 77 HD13 LEU 77 7.478 -6.935 2.822 570 HD21 LEU 77 HD21 LEU 77 4.483 -6.230 3.055 571 HD22 LEU 77 HD22 LEU 77 5.371 -6.618 1.581 572 HD23 LEU 77 HD23 LEU 77 4.482 -5.099 1.703 573 H ILE 78 HN ILE 78 6.253 -1.297 2.674 574 HA ILE 78 HA ILE 78 8.260 -1.743 0.699 575 HB ILE 78 HB ILE 78 6.215 0.502 0.868 576 HG12 ILE 78 HG12 ILE 78 6.308 -2.099 -0.669 577 HG13 ILE 78 HG11 ILE 78 5.207 -1.675 0.630 578 HG21 ILE 78 HG21 ILE 78 6.721 0.938 -1.504 579 HG22 ILE 78 HG22 ILE 78 8.007 -0.271 -1.451 580 HG23 ILE 78 HG23 ILE 78 8.144 1.203 -0.490 581 HD11 ILE 78 HD11 ILE 78 5.299 -0.451 -2.117 582 HD12 ILE 78 HD12 ILE 78 4.195 0.033 -0.825 583 HD13 ILE 78 HD13 ILE 78 4.104 -1.591 -1.512 584 H ASN 79 HN ASN 79 7.918 0.411 3.365 585 HA ASN 79 HA ASN 79 10.052 2.163 2.733 586 HB2 ASN 79 HB2 ASN 79 8.738 1.386 5.331 587 HB3 ASN 79 HB1 ASN 79 10.197 2.361 5.350 588 HD21 ASN 79 HD21 ASN 79 7.830 2.702 2.802 589 HD22 ASN 79 HD22 ASN 79 7.240 4.249 3.337 590 H GLY 80 HN GLY 80 9.932 -0.872 4.520 591 HA2 GLY 80 HA2 GLY 80 12.696 -1.061 5.037 592 HA3 GLY 80 HA1 GLY 80 11.555 -2.401 5.019 593 H ALA 81 HN ALA 81 10.709 -1.964 2.312 594 HA ALA 81 HA ALA 81 12.707 -3.461 0.933 595 HB1 ALA 81 HB1 ALA 81 11.173 -3.368 -0.978 596 HB2 ALA 81 HB2 ALA 81 10.208 -2.144 -0.158 597 HB3 ALA 81 HB3 ALA 81 10.299 -3.773 0.499 598 H LEU 82 HN LEU 82 11.724 -0.123 0.974 599 HA LEU 82 HA LEU 82 13.278 0.732 -1.236 600 HB2 LEU 82 HB2 LEU 82 12.038 2.233 1.039 601 HB3 LEU 82 HB1 LEU 82 12.969 3.025 -0.212 602 HG LEU 82 HG LEU 82 10.423 1.463 -0.632 603 HD11 LEU 82 HD11 LEU 82 10.989 4.422 -0.731 604 HD12 LEU 82 HD12 LEU 82 10.075 3.580 0.521 605 HD13 LEU 82 HD13 LEU 82 9.454 3.647 -1.130 606 HD21 LEU 82 HD21 LEU 82 10.536 2.324 -2.918 607 HD22 LEU 82 HD22 LEU 82 11.936 1.317 -2.543 608 HD23 LEU 82 HD23 LEU 82 12.093 3.074 -2.562 609 H ALA 83 HN ALA 83 14.189 -0.205 1.845 610 HA ALA 83 HA ALA 83 16.265 1.599 2.368 611 HB1 ALA 83 HB1 ALA 83 17.120 -0.055 3.925 612 HB2 ALA 83 HB2 ALA 83 16.095 -1.291 3.199 613 HB3 ALA 83 HB3 ALA 83 15.366 0.067 4.057 614 H GLU 84 HN GLU 84 16.228 -1.357 0.389 615 HA GLU 84 HA GLU 84 18.968 -0.647 -0.390 616 HB2 GLU 84 HB2 GLU 84 17.602 -3.334 -0.610 617 HB3 GLU 84 HB1 GLU 84 19.256 -2.984 -1.092 618 HG2 GLU 84 HG2 GLU 84 19.766 -2.375 1.243 619 HG3 GLU 84 HG1 GLU 84 18.133 -2.856 1.692 620 H ALA 85 HN ALA 85 16.170 0.151 -1.383 621 HA ALA 85 HA ALA 85 16.661 -0.472 -4.215 622 HB1 ALA 85 HB1 ALA 85 14.562 -1.447 -3.439 623 HB2 ALA 85 HB2 ALA 85 14.262 -0.185 -4.633 624 HB3 ALA 85 HB3 ALA 85 13.996 0.136 -2.919 625 H ALA 86 HN ALA 86 14.565 1.958 -2.727 626 HA ALA 86 HA ALA 86 14.320 4.150 -2.944 627 HB1 ALA 86 HB1 ALA 86 17.339 4.194 -3.089 628 HB2 ALA 86 HB2 ALA 86 16.391 4.152 -1.601 629 HB3 ALA 86 HB3 ALA 86 16.294 5.554 -2.668 630 H281 PSR 87 H28A PSR 87 -7.958 -11.223 -5.943 631 H282 PSR 87 H28B PSR 87 -7.341 -10.086 -4.748 632 H301 PSR 87 H30A PSR 87 -5.240 -9.902 -5.800 633 H302 PSR 87 H30B PSR 87 -5.833 -10.943 -7.097 634 H303 PSR 87 H30C PSR 87 -4.302 -11.311 -6.292 635 H311 PSR 87 H31A PSR 87 -4.307 -12.084 -3.904 636 H312 PSR 87 H31B PSR 87 -5.842 -12.182 -3.043 637 H313 PSR 87 H31C PSR 87 -5.199 -10.610 -3.519 638 H321 PSR 87 H32A PSR 87 -5.100 -13.578 -5.975 639 H331 PSR 87 H33A PSR 87 -7.727 -13.806 -6.326 640 H361 PSR 87 H36A PSR 87 -4.865 -14.337 -3.696 641 H371 PSR 87 H37A PSR 87 -6.968 -15.336 -2.036 642 H372 PSR 87 H37B PSR 87 -6.468 -16.546 -3.164 643 H381 PSR 87 H38A PSR 87 -5.277 -17.047 -1.322 644 H382 PSR 87 H38B PSR 87 -4.064 -16.317 -2.427 645 H411 PSR 87 H41A PSR 87 -5.993 -14.040 -0.979 646 H421 PSR 87 H42A PSR 87 -4.957 -13.964 1.613 647 H422 PSR 87 H42B PSR 87 -4.240 -12.694 0.580 648 H431 PSR 87 H43A PSR 87 -6.394 -12.154 1.890 649 H432 PSR 87 H43B PSR 87 -7.173 -13.254 0.681 650 HC21 PSR 87 H2A PSR 87 -4.081 -8.479 0.390 651 HC22 PSR 87 H2B PSR 87 -5.370 -8.630 -0.812 652 HC31 PSR 87 H3A PSR 87 -4.087 -10.414 -1.910 653 HC32 PSR 87 H3B PSR 87 -2.814 -10.240 -0.687 654 HC41 PSR 87 H4C PSR 87 -2.273 -9.022 -2.731 655 HC42 PSR 87 H4A PSR 87 -2.501 -7.921 -1.374 656 HC43 PSR 87 H4B PSR 87 -3.772 -8.103 -2.583 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 19.889 10.346 1.525 2 H2 MET 1 HT2 MET 1 19.127 11.570 2.445 3 H3 MET 1 HT3 MET 1 18.621 11.225 0.867 4 HA MET 1 HA MET 1 18.550 9.223 3.003 5 HB2 MET 1 HB2 MET 1 16.184 9.637 3.263 6 HB3 MET 1 HB1 MET 1 17.047 11.130 3.571 7 HG2 MET 1 HG2 MET 1 16.429 11.982 1.395 8 HG3 MET 1 HG1 MET 1 15.666 10.447 0.984 9 HE1 MET 1 HE1 MET 1 14.314 9.720 3.827 10 HE2 MET 1 HE2 MET 1 13.522 9.480 2.270 11 HE3 MET 1 HE3 MET 1 12.685 10.344 3.559 12 H ALA 2 HN ALA 2 17.087 7.488 2.394 13 HA ALA 2 HA ALA 2 17.367 6.752 -0.373 14 HB1 ALA 2 HB1 ALA 2 17.473 5.056 1.406 15 HB2 ALA 2 HB2 ALA 2 16.138 4.721 0.306 16 HB3 ALA 2 HB3 ALA 2 15.819 5.447 1.880 17 H THR 3 HN THR 3 15.366 6.149 -1.708 18 HA THR 3 HA THR 3 13.435 8.274 -1.463 19 HB THR 3 HB THR 3 12.477 7.135 -3.537 20 HG1 THR 3 HG1 THR 3 13.615 5.104 -2.864 21 HG21 THR 3 HG21 THR 3 14.016 9.033 -3.713 22 HG22 THR 3 HG22 THR 3 14.301 7.872 -5.011 23 HG23 THR 3 HG23 THR 3 15.393 7.932 -3.627 24 H LEU 4 HN LEU 4 11.949 8.006 0.066 25 HA LEU 4 HA LEU 4 10.767 5.337 0.469 26 HB2 LEU 4 HB2 LEU 4 11.139 7.531 2.515 27 HB3 LEU 4 HB1 LEU 4 10.416 5.965 2.801 28 HG LEU 4 HG LEU 4 13.316 6.493 2.145 29 HD11 LEU 4 HD11 LEU 4 12.707 7.191 4.389 30 HD12 LEU 4 HD12 LEU 4 13.716 5.747 4.440 31 HD13 LEU 4 HD13 LEU 4 11.974 5.616 4.696 32 HD21 LEU 4 HD21 LEU 4 13.652 4.109 2.608 33 HD22 LEU 4 HD22 LEU 4 12.574 4.350 1.232 34 HD23 LEU 4 HD23 LEU 4 11.911 3.903 2.803 35 H LEU 5 HN LEU 5 8.546 5.430 1.259 36 HA LEU 5 HA LEU 5 6.978 7.415 -0.186 37 HB2 LEU 5 HB2 LEU 5 6.052 5.135 1.529 38 HB3 LEU 5 HB1 LEU 5 5.114 6.012 0.344 39 HG LEU 5 HG LEU 5 7.359 4.081 -0.227 40 HD11 LEU 5 HD11 LEU 5 5.532 2.675 -1.078 41 HD12 LEU 5 HD12 LEU 5 4.377 3.895 -0.519 42 HD13 LEU 5 HD13 LEU 5 5.365 3.021 0.647 43 HD21 LEU 5 HD21 LEU 5 5.455 5.487 -2.080 44 HD22 LEU 5 HD22 LEU 5 6.661 4.281 -2.545 45 HD23 LEU 5 HD23 LEU 5 7.171 5.848 -1.914 46 H THR 6 HN THR 6 5.794 9.001 0.882 47 HA THR 6 HA THR 6 5.909 9.018 3.793 48 HB THR 6 HB THR 6 5.069 11.361 3.556 49 HG1 THR 6 HG1 THR 6 5.156 12.241 1.413 50 HG21 THR 6 HG21 THR 6 7.549 10.725 1.943 51 HG22 THR 6 HG22 THR 6 7.480 10.932 3.694 52 HG23 THR 6 HG23 THR 6 7.151 12.300 2.630 53 H THR 7 HN THR 7 3.717 10.099 4.722 54 HA THR 7 HA THR 7 1.576 8.377 4.444 55 HB THR 7 HB THR 7 1.360 11.331 5.085 56 HG1 THR 7 HG1 THR 7 2.461 9.177 6.599 57 HG21 THR 7 HG21 THR 7 -0.446 10.585 6.582 58 HG22 THR 7 HG22 THR 7 -0.151 8.912 6.114 59 HG23 THR 7 HG23 THR 7 -0.771 10.054 4.930 60 H ASP 8 HN ASP 8 2.234 11.480 2.933 61 HA ASP 8 HA ASP 8 -0.026 11.869 1.366 62 HB2 ASP 8 HB2 ASP 8 2.830 12.706 1.046 63 HB3 ASP 8 HB1 ASP 8 1.624 13.107 -0.168 64 H ASP 9 HN ASP 9 3.029 10.296 0.472 65 HA ASP 9 HA ASP 9 2.128 9.792 -2.177 66 HB2 ASP 9 HB2 ASP 9 4.514 10.070 -1.429 67 HB3 ASP 9 HB1 ASP 9 4.415 8.424 -0.814 68 H LEU 10 HN LEU 10 2.192 7.946 0.760 69 HA LEU 10 HA LEU 10 1.328 5.490 -0.365 70 HB2 LEU 10 HB2 LEU 10 2.225 5.730 1.931 71 HB3 LEU 10 HB1 LEU 10 0.785 6.611 2.389 72 HG LEU 10 HG LEU 10 -0.538 4.545 1.802 73 HD11 LEU 10 HD11 LEU 10 2.189 3.276 1.752 74 HD12 LEU 10 HD12 LEU 10 1.081 3.442 0.388 75 HD13 LEU 10 HD13 LEU 10 0.648 2.415 1.755 76 HD21 LEU 10 HD21 LEU 10 -0.064 5.158 4.102 77 HD22 LEU 10 HD22 LEU 10 1.493 4.336 4.013 78 HD23 LEU 10 HD23 LEU 10 -0.002 3.407 3.901 79 H ARG 11 HN ARG 11 -0.331 8.308 0.942 80 HA ARG 11 HA ARG 11 -2.958 7.489 0.891 81 HB2 ARG 11 HB2 ARG 11 -2.125 9.604 1.876 82 HB3 ARG 11 HB1 ARG 11 -1.908 10.253 0.260 83 HG2 ARG 11 HG2 ARG 11 -4.360 10.002 -0.100 84 HG3 ARG 11 HG1 ARG 11 -4.480 9.466 1.580 85 HD2 ARG 11 HD2 ARG 11 -5.027 11.845 1.362 86 HD3 ARG 11 HD1 ARG 11 -3.602 11.582 2.362 87 HE ARG 11 HE ARG 11 -2.872 12.029 -0.336 88 HH11 ARG 11 HH11 ARG 11 -4.123 13.808 2.462 89 HH12 ARG 11 HH12 ARG 11 -3.362 15.275 2.028 90 HH21 ARG 11 HH21 ARG 11 -1.771 14.051 -0.873 91 HH22 ARG 11 HH22 ARG 11 -1.989 15.407 0.116 92 H ARG 12 HN ARG 12 -1.230 9.260 -1.648 93 HA ARG 12 HA ARG 12 -3.247 9.176 -3.569 94 HB2 ARG 12 HB2 ARG 12 -1.465 9.587 -5.269 95 HB3 ARG 12 HB1 ARG 12 -1.402 10.682 -3.896 96 HG2 ARG 12 HG2 ARG 12 0.415 9.401 -2.943 97 HG3 ARG 12 HG1 ARG 12 0.327 8.258 -4.274 98 HD2 ARG 12 HD2 ARG 12 0.931 11.189 -4.587 99 HD3 ARG 12 HD1 ARG 12 2.161 9.939 -4.430 100 HE ARG 12 HE ARG 12 0.185 9.907 -6.608 101 HH11 ARG 12 HH11 ARG 12 3.555 9.617 -5.480 102 HH12 ARG 12 HH12 ARG 12 4.228 9.527 -7.036 103 HH21 ARG 12 HH21 ARG 12 1.119 9.720 -8.789 104 HH22 ARG 12 HH22 ARG 12 2.794 9.622 -8.981 105 H ALA 13 HN ALA 13 -0.872 6.726 -2.770 106 HA ALA 13 HA ALA 13 -1.326 5.090 -5.044 107 HB1 ALA 13 HB1 ALA 13 -0.173 3.343 -3.779 108 HB2 ALA 13 HB2 ALA 13 -0.302 4.312 -2.311 109 HB3 ALA 13 HB3 ALA 13 0.689 4.877 -3.655 110 H LEU 14 HN LEU 14 -2.576 5.002 -1.730 111 HA LEU 14 HA LEU 14 -4.344 2.838 -2.192 112 HB2 LEU 14 HB2 LEU 14 -4.192 4.932 -0.046 113 HB3 LEU 14 HB1 LEU 14 -5.599 3.907 -0.143 114 HG LEU 14 HG LEU 14 -4.070 3.107 1.546 115 HD11 LEU 14 HD11 LEU 14 -4.128 1.273 -0.820 116 HD12 LEU 14 HD12 LEU 14 -5.374 1.454 0.415 117 HD13 LEU 14 HD13 LEU 14 -3.793 0.800 0.846 118 HD21 LEU 14 HD21 LEU 14 -2.042 2.796 -0.657 119 HD22 LEU 14 HD22 LEU 14 -1.859 2.218 1.000 120 HD23 LEU 14 HD23 LEU 14 -1.970 3.947 0.677 121 H VAL 15 HN VAL 15 -4.808 6.324 -2.330 122 HA VAL 15 HA VAL 15 -7.510 6.097 -3.070 123 HB VAL 15 HB VAL 15 -5.631 8.473 -3.402 124 HG11 VAL 15 HG11 VAL 15 -7.496 8.640 -4.999 125 HG12 VAL 15 HG12 VAL 15 -7.622 9.838 -3.712 126 HG13 VAL 15 HG13 VAL 15 -8.636 8.396 -3.674 127 HG21 VAL 15 HG21 VAL 15 -7.768 7.868 -1.375 128 HG22 VAL 15 HG22 VAL 15 -6.819 9.354 -1.468 129 HG23 VAL 15 HG23 VAL 15 -6.025 7.820 -1.109 130 H GLU 16 HN GLU 16 -4.771 5.370 -4.868 131 HA GLU 16 HA GLU 16 -5.823 6.079 -7.444 132 HB2 GLU 16 HB2 GLU 16 -3.388 5.963 -6.898 133 HB3 GLU 16 HB1 GLU 16 -3.546 4.223 -6.755 134 HG2 GLU 16 HG2 GLU 16 -2.609 4.811 -8.889 135 HG3 GLU 16 HG1 GLU 16 -4.213 4.110 -9.108 136 H SER 17 HN SER 17 -5.223 2.968 -5.744 137 HA SER 17 HA SER 17 -6.412 1.494 -7.833 138 HB2 SER 17 HB2 SER 17 -6.012 -0.450 -6.056 139 HB3 SER 17 HB1 SER 17 -4.684 0.404 -6.811 140 HG SER 17 HG SER 17 -5.706 0.877 -4.192 141 H ALA 18 HN ALA 18 -7.768 2.863 -4.924 142 HA ALA 18 HA ALA 18 -10.250 1.370 -5.537 143 HB1 ALA 18 HB1 ALA 18 -10.985 1.722 -3.275 144 HB2 ALA 18 HB2 ALA 18 -9.544 2.679 -2.934 145 HB3 ALA 18 HB3 ALA 18 -9.398 0.957 -3.291 146 H GLY 19 HN GLY 19 -8.889 4.497 -5.562 147 HA2 GLY 19 HA2 GLY 19 -11.509 5.755 -5.349 148 HA3 GLY 19 HA1 GLY 19 -9.950 6.574 -5.313 149 H GLU 20 HN GLU 20 -10.687 4.114 -7.620 150 HA GLU 20 HA GLU 20 -10.211 5.916 -9.831 151 HB2 GLU 20 HB2 GLU 20 -9.273 3.595 -9.702 152 HB3 GLU 20 HB1 GLU 20 -10.904 2.957 -9.760 153 HG2 GLU 20 HG2 GLU 20 -9.771 2.759 -11.909 154 HG3 GLU 20 HG1 GLU 20 -11.177 3.814 -12.022 155 H THR 21 HN THR 21 -12.434 6.645 -8.390 156 HA THR 21 HA THR 21 -14.660 7.116 -8.402 157 HB THR 21 HB THR 21 -14.441 6.710 -11.425 158 HG1 THR 21 HG1 THR 21 -12.690 8.029 -10.724 159 HG21 THR 21 HG21 THR 21 -16.060 8.676 -9.763 160 HG22 THR 21 HG22 THR 21 -16.707 7.245 -10.565 161 HG23 THR 21 HG23 THR 21 -16.055 8.571 -11.526 162 H ASP 22 HN ASP 22 -14.022 4.448 -7.847 163 HA ASP 22 HA ASP 22 -15.843 2.738 -9.315 164 HB2 ASP 22 HB2 ASP 22 -13.614 1.911 -8.596 165 HB3 ASP 22 HB1 ASP 22 -14.116 2.084 -6.920 166 H GLY 23 HN GLY 23 -15.513 4.030 -6.040 167 HA2 GLY 23 HA2 GLY 23 -18.041 4.718 -5.576 168 HA3 GLY 23 HA1 GLY 23 -18.115 2.978 -5.356 169 H THR 24 HN THR 24 -15.570 2.616 -4.154 170 HA THR 24 HA THR 24 -16.233 3.684 -1.512 171 HB THR 24 HB THR 24 -14.346 1.424 -2.217 172 HG1 THR 24 HG1 THR 24 -16.425 0.884 -2.984 173 HG21 THR 24 HG21 THR 24 -15.850 2.128 0.317 174 HG22 THR 24 HG22 THR 24 -14.127 2.376 0.044 175 HG23 THR 24 HG23 THR 24 -14.782 0.740 0.106 176 H ASP 25 HN ASP 25 -15.169 5.758 -1.760 177 HA ASP 25 HA ASP 25 -12.304 5.634 -2.337 178 HB2 ASP 25 HB2 ASP 25 -13.909 7.491 -3.269 179 HB3 ASP 25 HB1 ASP 25 -13.771 8.193 -1.661 180 H LEU 26 HN LEU 26 -11.233 7.530 -0.758 181 HA LEU 26 HA LEU 26 -11.759 6.883 1.995 182 HB2 LEU 26 HB2 LEU 26 -9.469 5.955 2.432 183 HB3 LEU 26 HB1 LEU 26 -10.498 4.904 1.502 184 HG LEU 26 HG LEU 26 -8.241 6.569 0.306 185 HD11 LEU 26 HD11 LEU 26 -7.025 4.456 0.183 186 HD12 LEU 26 HD12 LEU 26 -8.338 3.651 1.043 187 HD13 LEU 26 HD13 LEU 26 -7.388 4.899 1.849 188 HD21 LEU 26 HD21 LEU 26 -8.459 5.070 -1.617 189 HD22 LEU 26 HD22 LEU 26 -9.970 5.941 -1.339 190 HD23 LEU 26 HD23 LEU 26 -9.818 4.255 -0.845 191 H SER 27 HN SER 27 -9.450 8.233 -0.248 192 HA SER 27 HA SER 27 -8.654 10.331 -0.601 193 HB2 SER 27 HB2 SER 27 -10.585 11.270 1.425 194 HB3 SER 27 HB1 SER 27 -9.879 12.217 0.119 195 HG SER 27 HG SER 27 -11.106 10.077 -0.967 196 H GLY 28 HN GLY 28 -8.056 8.867 2.150 197 HA2 GLY 28 HA2 GLY 28 -5.775 9.887 3.070 198 HA3 GLY 28 HA1 GLY 28 -6.875 11.198 3.490 199 H ASP 29 HN ASP 29 -9.073 9.488 4.160 200 HA ASP 29 HA ASP 29 -8.201 8.758 6.837 201 HB2 ASP 29 HB2 ASP 29 -10.947 8.404 5.562 202 HB3 ASP 29 HB1 ASP 29 -10.539 8.172 7.251 203 H PHE 30 HN PHE 30 -6.872 6.966 6.579 204 HA PHE 30 HA PHE 30 -8.133 4.509 5.739 205 HB2 PHE 30 HB2 PHE 30 -7.053 4.159 3.613 206 HB3 PHE 30 HB1 PHE 30 -7.517 5.816 3.644 207 HD1 PHE 30 HD2 PHE 30 -5.898 7.632 3.957 208 HD2 PHE 30 HD1 PHE 30 -4.651 3.593 3.538 209 HE1 PHE 30 HE2 PHE 30 -3.632 8.389 3.398 210 HE2 PHE 30 HE1 PHE 30 -2.373 4.358 2.974 211 HZ PHE 30 HZ PHE 30 -1.823 6.693 3.048 212 H LEU 31 HN LEU 31 -5.250 6.265 6.664 213 HA LEU 31 HA LEU 31 -3.355 4.270 6.615 214 HB2 LEU 31 HB2 LEU 31 -2.842 6.633 6.683 215 HB3 LEU 31 HB1 LEU 31 -3.412 6.723 8.341 216 HG LEU 31 HG LEU 31 -1.623 5.211 9.017 217 HD11 LEU 31 HD11 LEU 31 -1.287 4.021 6.917 218 HD12 LEU 31 HD12 LEU 31 0.229 4.750 7.454 219 HD13 LEU 31 HD13 LEU 31 -0.699 5.500 6.155 220 HD21 LEU 31 HD21 LEU 31 -0.710 7.645 7.511 221 HD22 LEU 31 HD22 LEU 31 0.217 6.806 8.756 222 HD23 LEU 31 HD23 LEU 31 -1.302 7.604 9.170 223 H ASP 32 HN ASP 32 -5.453 5.095 9.305 224 HA ASP 32 HA ASP 32 -4.100 3.101 10.985 225 HB2 ASP 32 HB2 ASP 32 -6.218 5.156 11.658 226 HB3 ASP 32 HB1 ASP 32 -5.568 3.997 12.807 227 H LEU 33 HN LEU 33 -6.465 3.146 8.804 228 HA LEU 33 HA LEU 33 -8.336 1.395 10.186 229 HB2 LEU 33 HB2 LEU 33 -8.420 2.725 7.466 230 HB3 LEU 33 HB1 LEU 33 -9.648 1.640 8.052 231 HG LEU 33 HG LEU 33 -10.206 3.306 9.843 232 HD11 LEU 33 HD11 LEU 33 -8.084 4.515 9.981 233 HD12 LEU 33 HD12 LEU 33 -9.422 5.610 9.626 234 HD13 LEU 33 HD13 LEU 33 -8.317 5.122 8.341 235 HD21 LEU 33 HD21 LEU 33 -10.335 4.295 7.009 236 HD22 LEU 33 HD22 LEU 33 -11.328 4.869 8.348 237 HD23 LEU 33 HD23 LEU 33 -11.475 3.202 7.793 238 H ARG 34 HN ARG 34 -8.741 -0.715 9.295 239 HA ARG 34 HA ARG 34 -6.454 -1.825 7.902 240 HB2 ARG 34 HB2 ARG 34 -9.010 -3.035 8.852 241 HB3 ARG 34 HB1 ARG 34 -8.063 -3.869 7.641 242 HG2 ARG 34 HG2 ARG 34 -6.139 -3.503 9.417 243 HG3 ARG 34 HG1 ARG 34 -7.537 -3.454 10.517 244 HD2 ARG 34 HD2 ARG 34 -8.369 -5.554 9.487 245 HD3 ARG 34 HD1 ARG 34 -6.921 -5.502 8.465 246 HE ARG 34 HE ARG 34 -5.873 -5.534 10.911 247 HH11 ARG 34 HH11 ARG 34 -8.319 -7.590 9.352 248 HH12 ARG 34 HH12 ARG 34 -7.834 -9.028 10.128 249 HH21 ARG 34 HH21 ARG 34 -5.138 -7.593 11.937 250 HH22 ARG 34 HH22 ARG 34 -5.956 -9.037 11.546 251 H PHE 35 HN PHE 35 -6.425 -2.748 5.863 252 HA PHE 35 HA PHE 35 -7.605 -1.396 3.754 253 HB2 PHE 35 HB2 PHE 35 -6.752 -4.296 3.741 254 HB3 PHE 35 HB1 PHE 35 -7.027 -3.303 2.313 255 HD1 PHE 35 HD2 PHE 35 -5.554 -1.259 1.985 256 HD2 PHE 35 HD1 PHE 35 -4.737 -4.325 4.802 257 HE1 PHE 35 HE2 PHE 35 -3.205 -0.532 2.103 258 HE2 PHE 35 HE1 PHE 35 -2.480 -3.645 4.959 259 HZ PHE 35 HZ PHE 35 -1.635 -1.721 3.591 260 H GLU 36 HN GLU 36 -8.625 -4.350 5.226 261 HA GLU 36 HA GLU 36 -10.870 -5.109 3.815 262 HB2 GLU 36 HB2 GLU 36 -10.708 -5.065 6.823 263 HB3 GLU 36 HB1 GLU 36 -11.689 -6.132 5.834 264 HG2 GLU 36 HG2 GLU 36 -9.671 -7.196 4.978 265 HG3 GLU 36 HG1 GLU 36 -8.683 -6.114 5.960 266 H ASP 37 HN ASP 37 -10.577 -2.552 6.196 267 HA ASP 37 HA ASP 37 -13.429 -2.054 6.279 268 HB2 ASP 37 HB2 ASP 37 -12.107 -2.138 8.334 269 HB3 ASP 37 HB1 ASP 37 -11.123 -0.803 7.754 270 H ILE 38 HN ILE 38 -10.708 -0.904 4.559 271 HA ILE 38 HA ILE 38 -12.084 1.604 3.980 272 HB ILE 38 HB ILE 38 -10.033 2.349 2.777 273 HG12 ILE 38 HG12 ILE 38 -8.761 -0.128 3.959 274 HG13 ILE 38 HG11 ILE 38 -9.088 0.063 2.251 275 HG21 ILE 38 HG21 ILE 38 -8.693 2.765 4.782 276 HG22 ILE 38 HG22 ILE 38 -9.643 1.561 5.648 277 HG23 ILE 38 HG23 ILE 38 -10.415 3.028 5.049 278 HD11 ILE 38 HD11 ILE 38 -7.173 1.693 3.921 279 HD12 ILE 38 HD12 ILE 38 -7.514 1.971 2.213 280 HD13 ILE 38 HD13 ILE 38 -6.762 0.460 2.727 281 H GLY 39 HN GLY 39 -12.839 -1.045 2.985 282 HA2 GLY 39 HA2 GLY 39 -14.017 -1.666 1.088 283 HA3 GLY 39 HA1 GLY 39 -13.517 -0.159 0.334 284 H TYR 40 HN TYR 40 -11.055 -2.070 1.663 285 HA TYR 40 HA TYR 40 -10.177 -2.743 -1.004 286 HB2 TYR 40 HB2 TYR 40 -8.831 -2.282 1.579 287 HB3 TYR 40 HB1 TYR 40 -8.078 -3.473 0.538 288 HD1 TYR 40 HD2 TYR 40 -9.610 -0.083 0.230 289 HD2 TYR 40 HD1 TYR 40 -6.508 -2.739 -0.827 290 HE1 TYR 40 HE2 TYR 40 -8.606 1.649 -1.184 291 HE2 TYR 40 HE1 TYR 40 -5.509 -1.038 -2.239 292 HH TYR 40 HH TYR 40 -6.552 2.199 -2.298 293 H ASP 41 HN ASP 41 -10.535 -4.575 -1.790 294 HA ASP 41 HA ASP 41 -11.575 -6.678 -0.135 295 HB2 ASP 41 HB2 ASP 41 -12.177 -7.732 -2.285 296 HB3 ASP 41 HB1 ASP 41 -12.766 -6.084 -2.193 297 H SER 42 HN SER 42 -9.159 -6.391 -2.627 298 HA SER 42 HA SER 42 -7.019 -7.740 -1.478 299 HB2 SER 42 HB2 SER 42 -7.278 -9.944 -2.770 300 HB3 SER 42 HB1 SER 42 -8.344 -9.760 -1.368 301 H LEU 43 HN LEU 43 -8.983 -7.394 -4.414 302 HA LEU 43 HA LEU 43 -6.786 -7.354 -6.223 303 HB2 LEU 43 HB2 LEU 43 -9.137 -7.904 -6.879 304 HB3 LEU 43 HB1 LEU 43 -9.578 -6.239 -6.604 305 HG LEU 43 HG LEU 43 -7.591 -7.100 -8.739 306 HD11 LEU 43 HD11 LEU 43 -9.744 -8.135 -9.159 307 HD12 LEU 43 HD12 LEU 43 -9.424 -6.851 -10.324 308 HD13 LEU 43 HD13 LEU 43 -10.539 -6.571 -8.988 309 HD21 LEU 43 HD21 LEU 43 -8.108 -4.917 -9.748 310 HD22 LEU 43 HD22 LEU 43 -7.453 -4.713 -8.131 311 HD23 LEU 43 HD23 LEU 43 -9.187 -4.542 -8.404 312 H ALA 44 HN ALA 44 -8.774 -4.848 -4.758 313 HA ALA 44 HA ALA 44 -7.369 -2.707 -5.902 314 HB1 ALA 44 HB1 ALA 44 -8.814 -2.789 -3.248 315 HB2 ALA 44 HB2 ALA 44 -9.554 -2.446 -4.812 316 HB3 ALA 44 HB3 ALA 44 -8.362 -1.334 -4.136 317 H LEU 45 HN LEU 45 -6.800 -4.655 -3.086 318 HA LEU 45 HA LEU 45 -4.892 -3.060 -1.724 319 HB2 LEU 45 HB2 LEU 45 -6.236 -5.303 -1.133 320 HB3 LEU 45 HB1 LEU 45 -4.725 -6.023 -1.617 321 HG LEU 45 HG LEU 45 -5.401 -4.430 0.783 322 HD11 LEU 45 HD11 LEU 45 -3.948 -6.076 1.843 323 HD12 LEU 45 HD12 LEU 45 -3.733 -6.821 0.248 324 HD13 LEU 45 HD13 LEU 45 -5.340 -6.781 0.983 325 HD21 LEU 45 HD21 LEU 45 -2.589 -4.565 -0.293 326 HD22 LEU 45 HD22 LEU 45 -3.102 -3.984 1.312 327 HD23 LEU 45 HD23 LEU 45 -3.597 -3.115 -0.136 328 H MET 46 HN MET 46 -4.549 -5.841 -3.880 329 HA MET 46 HA MET 46 -1.732 -5.890 -3.849 330 HB2 MET 46 HB2 MET 46 -1.903 -7.513 -5.648 331 HB3 MET 46 HB1 MET 46 -3.095 -7.852 -4.407 332 HG2 MET 46 HG2 MET 46 -4.380 -8.150 -6.294 333 HG3 MET 46 HG1 MET 46 -4.610 -6.422 -5.935 334 HE1 MET 46 HE1 MET 46 -5.572 -6.186 -8.452 335 HE2 MET 46 HE2 MET 46 -5.205 -7.877 -8.774 336 HE3 MET 46 HE3 MET 46 -4.640 -6.626 -9.882 337 H GLU 47 HN GLU 47 -4.031 -4.135 -5.784 338 HA GLU 47 HA GLU 47 -2.196 -3.529 -7.846 339 HB2 GLU 47 HB2 GLU 47 -4.640 -3.603 -8.177 340 HB3 GLU 47 HB1 GLU 47 -4.815 -2.201 -7.135 341 HG2 GLU 47 HG2 GLU 47 -3.774 -0.800 -8.669 342 HG3 GLU 47 HG1 GLU 47 -3.177 -2.149 -9.645 343 H THR 48 HN THR 48 -3.090 -2.024 -4.809 344 HA THR 48 HA THR 48 -1.790 0.444 -5.060 345 HB THR 48 HB THR 48 -1.874 -1.342 -2.609 346 HG1 THR 48 HG1 THR 48 -3.901 0.122 -3.894 347 HG21 THR 48 HG21 THR 48 -1.873 1.661 -2.916 348 HG22 THR 48 HG22 THR 48 -0.516 0.673 -2.378 349 HG23 THR 48 HG23 THR 48 -1.975 0.786 -1.389 350 H ALA 49 HN ALA 49 -0.710 -2.669 -3.727 351 HA ALA 49 HA ALA 49 1.948 -2.045 -3.183 352 HB1 ALA 49 HB1 ALA 49 0.796 -4.729 -3.935 353 HB2 ALA 49 HB2 ALA 49 0.848 -4.054 -2.302 354 HB3 ALA 49 HB3 ALA 49 2.346 -4.447 -3.154 355 H ALA 50 HN ALA 50 0.580 -3.694 -6.016 356 HA ALA 50 HA ALA 50 2.853 -4.172 -7.475 357 HB1 ALA 50 HB1 ALA 50 0.156 -3.398 -8.564 358 HB2 ALA 50 HB2 ALA 50 0.637 -5.014 -8.041 359 HB3 ALA 50 HB3 ALA 50 1.429 -4.263 -9.426 360 H ARG 51 HN ARG 51 0.865 -1.240 -7.519 361 HA ARG 51 HA ARG 51 2.286 0.079 -9.561 362 HB2 ARG 51 HB2 ARG 51 0.007 0.732 -8.763 363 HB3 ARG 51 HB1 ARG 51 0.735 1.301 -7.277 364 HG2 ARG 51 HG2 ARG 51 1.948 3.013 -8.435 365 HG3 ARG 51 HG1 ARG 51 1.383 2.409 -9.994 366 HD2 ARG 51 HD2 ARG 51 -0.927 2.911 -9.331 367 HD3 ARG 51 HD1 ARG 51 -0.336 3.540 -7.792 368 HE ARG 51 HE ARG 51 0.708 5.318 -8.957 369 HH11 ARG 51 HH11 ARG 51 -1.472 3.376 -10.986 370 HH12 ARG 51 HH12 ARG 51 -1.757 4.604 -12.122 371 HH21 ARG 51 HH21 ARG 51 0.213 7.067 -10.477 372 HH22 ARG 51 HH22 ARG 51 -0.836 6.774 -11.776 373 H LEU 52 HN LEU 52 2.615 0.134 -6.053 374 HA LEU 52 HA LEU 52 4.726 2.049 -6.019 375 HB2 LEU 52 HB2 LEU 52 3.836 0.073 -3.923 376 HB3 LEU 52 HB1 LEU 52 5.009 1.352 -3.657 377 HG LEU 52 HG LEU 52 2.117 1.784 -4.431 378 HD11 LEU 52 HD11 LEU 52 2.310 0.924 -2.165 379 HD12 LEU 52 HD12 LEU 52 1.830 2.621 -2.164 380 HD13 LEU 52 HD13 LEU 52 3.494 2.175 -1.788 381 HD21 LEU 52 HD21 LEU 52 3.583 3.545 -5.256 382 HD22 LEU 52 HD22 LEU 52 4.276 3.738 -3.645 383 HD23 LEU 52 HD23 LEU 52 2.581 4.140 -3.930 384 H GLU 53 HN GLU 53 4.705 -1.494 -5.848 385 HA GLU 53 HA GLU 53 7.414 -1.968 -5.557 386 HB2 GLU 53 HB2 GLU 53 5.415 -3.509 -7.202 387 HB3 GLU 53 HB1 GLU 53 7.016 -4.083 -6.788 388 HG2 GLU 53 HG2 GLU 53 6.392 -4.052 -4.415 389 HG3 GLU 53 HG1 GLU 53 4.791 -3.477 -4.872 390 H SER 54 HN SER 54 5.501 -1.511 -8.435 391 HA SER 54 HA SER 54 7.455 -1.979 -10.367 392 HB2 SER 54 HB2 SER 54 4.969 -1.923 -10.692 393 HB3 SER 54 HB1 SER 54 5.046 -0.167 -10.595 394 HG SER 54 HG SER 54 5.674 -1.874 -12.603 395 H ARG 55 HN ARG 55 6.536 0.991 -8.680 396 HA ARG 55 HA ARG 55 7.962 2.800 -10.320 397 HB2 ARG 55 HB2 ARG 55 6.158 3.415 -8.672 398 HB3 ARG 55 HB1 ARG 55 7.338 3.174 -7.391 399 HG2 ARG 55 HG2 ARG 55 8.777 4.893 -8.592 400 HG3 ARG 55 HG1 ARG 55 7.349 5.250 -9.559 401 HD2 ARG 55 HD2 ARG 55 7.609 5.478 -6.567 402 HD3 ARG 55 HD1 ARG 55 7.560 6.807 -7.717 403 HE ARG 55 HE ARG 55 5.236 5.665 -8.212 404 HH11 ARG 55 HH11 ARG 55 6.773 6.217 -5.049 405 HH12 ARG 55 HH12 ARG 55 5.320 6.648 -4.273 406 HH21 ARG 55 HH21 ARG 55 3.214 6.229 -7.053 407 HH22 ARG 55 HH22 ARG 55 3.303 6.636 -5.387 408 H TYR 56 HN TYR 56 8.989 0.735 -7.722 409 HA TYR 56 HA TYR 56 11.557 2.182 -7.679 410 HB2 TYR 56 HB2 TYR 56 10.286 0.589 -5.469 411 HB3 TYR 56 HB1 TYR 56 11.872 1.350 -5.386 412 HD1 TYR 56 HD2 TYR 56 12.059 3.808 -5.408 413 HD2 TYR 56 HD1 TYR 56 8.274 1.870 -5.211 414 HE1 TYR 56 HE2 TYR 56 11.017 5.903 -4.673 415 HE2 TYR 56 HE1 TYR 56 7.240 3.931 -4.474 416 HH TYR 56 HH TYR 56 8.945 6.948 -4.594 417 H GLY 57 HN GLY 57 10.160 -0.785 -8.491 418 HA2 GLY 57 HA2 GLY 57 11.189 -2.607 -9.447 419 HA3 GLY 57 HA1 GLY 57 12.757 -1.883 -9.092 420 H VAL 58 HN VAL 58 10.178 -2.415 -6.798 421 HA VAL 58 HA VAL 58 11.981 -4.203 -5.351 422 HB VAL 58 HB VAL 58 10.788 -3.715 -3.277 423 HG11 VAL 58 HG11 VAL 58 11.455 -1.184 -4.738 424 HG12 VAL 58 HG12 VAL 58 12.589 -2.209 -3.848 425 HG13 VAL 58 HG13 VAL 58 11.300 -1.349 -2.992 426 HG21 VAL 58 HG21 VAL 58 8.995 -2.039 -3.149 427 HG22 VAL 58 HG22 VAL 58 8.529 -3.414 -4.151 428 HG23 VAL 58 HG23 VAL 58 9.012 -1.895 -4.907 429 H SER 59 HN SER 59 10.489 -5.781 -3.842 430 HA SER 59 HA SER 59 8.333 -6.765 -5.487 431 HB2 SER 59 HB2 SER 59 10.479 -7.839 -6.250 432 HB3 SER 59 HB1 SER 59 10.658 -8.505 -4.629 433 HG SER 59 HG SER 59 9.108 -9.281 -6.710 434 H ILE 60 HN ILE 60 6.736 -7.103 -4.179 435 HA ILE 60 HA ILE 60 7.219 -7.705 -1.349 436 HB ILE 60 HB ILE 60 4.684 -6.831 -2.778 437 HG12 ILE 60 HG12 ILE 60 6.397 -5.340 -0.789 438 HG13 ILE 60 HG11 ILE 60 6.408 -5.064 -2.533 439 HG21 ILE 60 HG21 ILE 60 4.136 -8.286 -0.898 440 HG22 ILE 60 HG22 ILE 60 3.675 -6.620 -0.542 441 HG23 ILE 60 HG23 ILE 60 5.136 -7.305 0.174 442 HD11 ILE 60 HD11 ILE 60 4.054 -4.396 -2.404 443 HD12 ILE 60 HD12 ILE 60 5.103 -3.396 -1.399 444 HD13 ILE 60 HD13 ILE 60 4.098 -4.642 -0.655 445 HA PRO 61 HA PRO 61 6.168 -11.989 -2.273 446 HB2 PRO 61 HB2 PRO 61 5.554 -11.863 0.654 447 HB3 PRO 61 HB1 PRO 61 6.524 -13.048 -0.239 448 HG2 PRO 61 HG2 PRO 61 7.718 -11.224 1.254 449 HG3 PRO 61 HG1 PRO 61 8.377 -11.645 -0.341 450 HD2 PRO 61 HD2 PRO 61 6.793 -9.251 0.486 451 HD3 PRO 61 HD1 PRO 61 8.175 -9.363 -0.624 452 H ASP 62 HN ASP 62 4.223 -12.471 -3.079 453 HA ASP 62 HA ASP 62 1.940 -10.926 -2.714 454 HB2 ASP 62 HB2 ASP 62 0.734 -12.551 -4.023 455 HB3 ASP 62 HB1 ASP 62 2.327 -12.319 -4.727 456 H ASP 63 HN ASP 63 2.938 -13.854 -1.061 457 HA ASP 63 HA ASP 63 0.403 -14.222 0.233 458 HB2 ASP 63 HB2 ASP 63 2.028 -16.076 -0.138 459 HB3 ASP 63 HB1 ASP 63 3.120 -15.289 0.999 460 H VAL 64 HN VAL 64 3.226 -12.398 0.831 461 HA VAL 64 HA VAL 64 2.550 -11.796 3.560 462 HB VAL 64 HB VAL 64 4.779 -10.658 1.818 463 HG11 VAL 64 HG11 VAL 64 4.161 -9.028 3.559 464 HG12 VAL 64 HG12 VAL 64 5.744 -9.737 3.878 465 HG13 VAL 64 HG13 VAL 64 4.335 -10.282 4.787 466 HG21 VAL 64 HG21 VAL 64 4.819 -12.664 4.063 467 HG22 VAL 64 HG22 VAL 64 6.235 -12.037 3.221 468 HG23 VAL 64 HG23 VAL 64 5.047 -13.006 2.348 469 H ALA 65 HN ALA 65 1.867 -10.502 0.456 470 HA ALA 65 HA ALA 65 1.043 -7.913 1.232 471 HB1 ALA 65 HB1 ALA 65 -0.276 -7.857 -0.848 472 HB2 ALA 65 HB2 ALA 65 -0.096 -9.597 -1.026 473 HB3 ALA 65 HB3 ALA 65 1.315 -8.545 -1.152 474 H GLY 66 HN GLY 66 -0.349 -11.012 1.733 475 HA2 GLY 66 HA2 GLY 66 -2.901 -9.887 2.597 476 HA3 GLY 66 HA1 GLY 66 -2.465 -11.593 2.594 477 H ARG 67 HN ARG 67 0.087 -10.061 3.887 478 HA ARG 67 HA ARG 67 -0.834 -10.623 6.597 479 HB2 ARG 67 HB2 ARG 67 1.926 -10.650 5.383 480 HB3 ARG 67 HB1 ARG 67 1.666 -10.684 7.136 481 HG2 ARG 67 HG2 ARG 67 0.310 -12.706 6.836 482 HG3 ARG 67 HG1 ARG 67 0.660 -12.659 5.110 483 HD2 ARG 67 HD2 ARG 67 3.028 -12.936 5.575 484 HD3 ARG 67 HD1 ARG 67 2.697 -12.916 7.312 485 HE ARG 67 HE ARG 67 1.117 -14.871 6.567 486 HH11 ARG 67 HH11 ARG 67 4.557 -14.325 5.870 487 HH12 ARG 67 HH12 ARG 67 4.837 -15.941 5.418 488 HH21 ARG 67 HH21 ARG 67 1.565 -17.110 6.010 489 HH22 ARG 67 HH22 ARG 67 3.126 -17.549 5.503 490 H VAL 68 HN VAL 68 0.031 -8.086 4.589 491 HA VAL 68 HA VAL 68 0.431 -6.248 6.782 492 HB VAL 68 HB VAL 68 0.475 -4.489 4.931 493 HG11 VAL 68 HG11 VAL 68 2.403 -6.791 4.674 494 HG12 VAL 68 HG12 VAL 68 2.520 -5.448 5.816 495 HG13 VAL 68 HG13 VAL 68 2.673 -5.149 4.083 496 HG21 VAL 68 HG21 VAL 68 -0.844 -5.693 3.251 497 HG22 VAL 68 HG22 VAL 68 0.415 -6.921 3.132 498 HG23 VAL 68 HG23 VAL 68 0.744 -5.263 2.617 499 H ASP 69 HN ASP 69 -1.368 -5.967 7.955 500 HA ASP 69 HA ASP 69 -3.918 -5.880 6.541 501 HB2 ASP 69 HB2 ASP 69 -5.019 -6.162 8.693 502 HB3 ASP 69 HB1 ASP 69 -3.735 -7.338 8.454 503 H THR 70 HN THR 70 -1.769 -3.809 8.120 504 HA THR 70 HA THR 70 -3.738 -1.656 7.869 505 HB THR 70 HB THR 70 -2.354 -0.386 9.497 506 HG1 THR 70 HG1 THR 70 -0.954 -2.870 9.750 507 HG21 THR 70 HG21 THR 70 -3.283 -3.115 10.377 508 HG22 THR 70 HG22 THR 70 -4.266 -1.653 10.294 509 HG23 THR 70 HG23 THR 70 -2.959 -1.774 11.480 510 HA PRO 71 HA PRO 71 -1.465 0.054 4.500 511 HB2 PRO 71 HB2 PRO 71 -2.114 2.681 5.752 512 HB3 PRO 71 HB1 PRO 71 -2.408 2.122 4.099 513 HG2 PRO 71 HG2 PRO 71 -4.412 2.260 5.803 514 HG3 PRO 71 HG1 PRO 71 -4.264 0.860 4.719 515 HD2 PRO 71 HD2 PRO 71 -3.562 1.091 7.620 516 HD3 PRO 71 HD1 PRO 71 -4.384 -0.232 6.770 517 H ARG 72 HN ARG 72 -0.942 1.507 7.687 518 HA ARG 72 HA ARG 72 1.533 2.690 7.209 519 HB2 ARG 72 HB2 ARG 72 0.222 3.054 9.260 520 HB3 ARG 72 HB1 ARG 72 0.603 1.420 9.788 521 HG2 ARG 72 HG2 ARG 72 2.981 2.009 9.870 522 HG3 ARG 72 HG1 ARG 72 2.585 3.650 9.356 523 HD2 ARG 72 HD2 ARG 72 1.619 2.291 11.861 524 HD3 ARG 72 HD1 ARG 72 2.897 3.498 11.780 525 HE ARG 72 HE ARG 72 1.143 5.044 10.922 526 HH11 ARG 72 HH11 ARG 72 0.215 2.277 12.978 527 HH12 ARG 72 HH12 ARG 72 -1.119 3.071 13.646 528 HH21 ARG 72 HH21 ARG 72 -0.717 6.102 11.855 529 HH22 ARG 72 HH22 ARG 72 -1.749 5.249 12.903 530 H GLU 73 HN GLU 73 0.810 -0.644 8.166 531 HA GLU 73 HA GLU 73 3.469 -1.534 8.439 532 HB2 GLU 73 HB2 GLU 73 1.500 -2.737 9.322 533 HB3 GLU 73 HB1 GLU 73 0.978 -3.072 7.682 534 HG2 GLU 73 HG2 GLU 73 1.993 -5.031 8.606 535 HG3 GLU 73 HG1 GLU 73 3.034 -4.390 7.335 536 H LEU 74 HN LEU 74 1.180 -1.558 5.755 537 HA LEU 74 HA LEU 74 2.860 -2.914 3.928 538 HB2 LEU 74 HB2 LEU 74 0.385 -2.781 3.735 539 HB3 LEU 74 HB1 LEU 74 0.490 -1.071 3.430 540 HG LEU 74 HG LEU 74 -0.045 -2.649 1.479 541 HD11 LEU 74 HD11 LEU 74 0.536 -0.297 1.124 542 HD12 LEU 74 HD12 LEU 74 1.238 -1.309 -0.138 543 HD13 LEU 74 HD13 LEU 74 2.252 -0.700 1.170 544 HD21 LEU 74 HD21 LEU 74 1.888 -3.605 0.303 545 HD22 LEU 74 HD22 LEU 74 1.657 -4.323 1.899 546 HD23 LEU 74 HD23 LEU 74 2.929 -3.129 1.647 547 H LEU 75 HN LEU 75 2.312 0.472 4.602 548 HA LEU 75 HA LEU 75 3.930 1.775 2.753 549 HB2 LEU 75 HB2 LEU 75 2.471 2.937 4.285 550 HB3 LEU 75 HB1 LEU 75 3.360 2.332 5.661 551 HG LEU 75 HG LEU 75 5.310 3.713 4.915 552 HD11 LEU 75 HD11 LEU 75 4.739 3.912 2.584 553 HD12 LEU 75 HD12 LEU 75 4.899 5.508 3.334 554 HD13 LEU 75 HD13 LEU 75 3.300 4.840 3.001 555 HD21 LEU 75 HD21 LEU 75 2.741 5.181 5.468 556 HD22 LEU 75 HD22 LEU 75 4.366 5.829 5.689 557 HD23 LEU 75 HD23 LEU 75 3.817 4.475 6.674 558 H ASP 76 HN ASP 76 4.728 0.645 5.992 559 HA ASP 76 HA ASP 76 7.455 1.377 5.892 560 HB2 ASP 76 HB2 ASP 76 6.077 1.149 7.954 561 HB3 ASP 76 HB1 ASP 76 6.134 -0.597 7.744 562 H LEU 77 HN LEU 77 5.737 -1.572 5.175 563 HA LEU 77 HA LEU 77 7.882 -3.379 4.973 564 HB2 LEU 77 HB2 LEU 77 5.418 -3.946 4.954 565 HB3 LEU 77 HB1 LEU 77 5.309 -3.280 3.351 566 HG LEU 77 HG LEU 77 5.254 -5.750 3.389 567 HD11 LEU 77 HD11 LEU 77 6.016 -4.735 1.361 568 HD12 LEU 77 HD12 LEU 77 6.889 -6.240 1.663 569 HD13 LEU 77 HD13 LEU 77 7.670 -4.690 1.972 570 HD21 LEU 77 HD21 LEU 77 8.068 -5.554 4.432 571 HD22 LEU 77 HD22 LEU 77 7.274 -7.036 3.899 572 HD23 LEU 77 HD23 LEU 77 6.666 -6.167 5.307 573 H ILE 78 HN ILE 78 6.361 -1.190 2.649 574 HA ILE 78 HA ILE 78 8.089 -1.927 0.534 575 HB ILE 78 HB ILE 78 6.267 0.490 0.818 576 HG12 ILE 78 HG12 ILE 78 6.001 -2.149 -0.609 577 HG13 ILE 78 HG11 ILE 78 5.090 -1.619 0.795 578 HG21 ILE 78 HG21 ILE 78 8.089 0.961 -0.788 579 HG22 ILE 78 HG22 ILE 78 6.544 0.803 -1.612 580 HG23 ILE 78 HG23 ILE 78 7.702 -0.526 -1.656 581 HD11 ILE 78 HD11 ILE 78 4.948 -0.470 -1.973 582 HD12 ILE 78 HD12 ILE 78 4.036 0.126 -0.582 583 HD13 ILE 78 HD13 ILE 78 3.748 -1.504 -1.204 584 H ASN 79 HN ASN 79 8.006 0.716 2.843 585 HA ASN 79 HA ASN 79 10.203 2.134 1.842 586 HB2 ASN 79 HB2 ASN 79 9.076 1.959 4.615 587 HB3 ASN 79 HB1 ASN 79 10.476 2.956 4.252 588 HD21 ASN 79 HD21 ASN 79 7.965 3.850 5.217 589 HD22 ASN 79 HD22 ASN 79 7.297 4.900 4.011 590 H GLY 80 HN GLY 80 10.143 -0.559 4.095 591 HA2 GLY 80 HA2 GLY 80 12.913 -0.579 4.661 592 HA3 GLY 80 HA1 GLY 80 11.834 -1.970 4.785 593 H ALA 81 HN ALA 81 10.980 -1.982 2.112 594 HA ALA 81 HA ALA 81 13.110 -3.442 0.912 595 HB1 ALA 81 HB1 ALA 81 11.545 -3.798 -0.944 596 HB2 ALA 81 HB2 ALA 81 10.446 -2.602 -0.258 597 HB3 ALA 81 HB3 ALA 81 10.762 -4.103 0.604 598 H LEU 82 HN LEU 82 11.763 -0.261 0.545 599 HA LEU 82 HA LEU 82 12.946 0.478 -1.887 600 HB2 LEU 82 HB2 LEU 82 12.236 2.265 0.436 601 HB3 LEU 82 HB1 LEU 82 12.572 2.800 -1.198 602 HG LEU 82 HG LEU 82 10.230 1.189 -0.241 603 HD11 LEU 82 HD11 LEU 82 10.390 3.918 -1.468 604 HD12 LEU 82 HD12 LEU 82 10.027 3.534 0.215 605 HD13 LEU 82 HD13 LEU 82 8.910 3.053 -1.062 606 HD21 LEU 82 HD21 LEU 82 10.947 0.313 -2.366 607 HD22 LEU 82 HD22 LEU 82 10.956 1.937 -3.055 608 HD23 LEU 82 HD23 LEU 82 9.437 1.205 -2.538 609 H ALA 83 HN ALA 83 14.119 0.698 1.391 610 HA ALA 83 HA ALA 83 16.483 2.122 0.796 611 HB1 ALA 83 HB1 ALA 83 15.986 0.176 3.050 612 HB2 ALA 83 HB2 ALA 83 15.598 1.897 3.075 613 HB3 ALA 83 HB3 ALA 83 17.281 1.373 2.977 614 H GLU 84 HN GLU 84 15.616 -1.179 0.405 615 HA GLU 84 HA GLU 84 18.394 -2.029 0.162 616 HB2 GLU 84 HB2 GLU 84 16.945 -3.291 1.649 617 HB3 GLU 84 HB1 GLU 84 15.846 -3.623 0.326 618 HG2 GLU 84 HG2 GLU 84 17.499 -4.991 -0.757 619 HG3 GLU 84 HG1 GLU 84 18.698 -4.572 0.469 620 H ALA 85 HN ALA 85 15.370 -2.204 -1.744 621 HA ALA 85 HA ALA 85 16.916 -3.293 -3.972 622 HB1 ALA 85 HB1 ALA 85 13.930 -3.108 -3.659 623 HB2 ALA 85 HB2 ALA 85 14.924 -4.510 -3.256 624 HB3 ALA 85 HB3 ALA 85 14.804 -3.965 -4.929 625 H ALA 86 HN ALA 86 15.694 -0.256 -3.053 626 HA ALA 86 HA ALA 86 15.486 0.539 -5.852 627 HB1 ALA 86 HB1 ALA 86 13.505 1.066 -4.499 628 HB2 ALA 86 HB2 ALA 86 14.309 2.538 -5.054 629 HB3 ALA 86 HB3 ALA 86 14.514 1.994 -3.389 630 H281 PSR 87 H28A PSR 87 -8.617 -10.737 -6.401 631 H282 PSR 87 H28B PSR 87 -7.878 -9.602 -5.278 632 H301 PSR 87 H30A PSR 87 -6.857 -9.966 -7.890 633 H302 PSR 87 H30B PSR 87 -5.164 -10.368 -7.552 634 H303 PSR 87 H30C PSR 87 -5.959 -9.106 -6.625 635 H311 PSR 87 H31A PSR 87 -5.827 -11.604 -4.125 636 H312 PSR 87 H31B PSR 87 -5.481 -9.933 -4.569 637 H313 PSR 87 H31C PSR 87 -4.538 -11.246 -5.274 638 H321 PSR 87 H32A PSR 87 -5.586 -12.684 -7.283 639 H331 PSR 87 H33A PSR 87 -8.147 -13.284 -7.190 640 H361 PSR 87 H36A PSR 87 -4.915 -13.382 -4.961 641 H371 PSR 87 H37A PSR 87 -6.729 -15.257 -3.594 642 H372 PSR 87 H37B PSR 87 -5.237 -15.854 -4.292 643 H381 PSR 87 H38A PSR 87 -4.783 -15.457 -2.025 644 H382 PSR 87 H38B PSR 87 -3.968 -14.154 -2.923 645 H411 PSR 87 H41A PSR 87 -3.919 -12.732 -1.301 646 H421 PSR 87 H42A PSR 87 -6.256 -11.207 -0.707 647 H422 PSR 87 H42B PSR 87 -5.635 -12.108 0.668 648 H431 PSR 87 H43A PSR 87 -3.437 -11.019 0.383 649 H432 PSR 87 H43B PSR 87 -4.730 -9.847 0.685 650 HC21 PSR 87 H2A PSR 87 -2.795 -9.508 -3.878 651 HC22 PSR 87 H2B PSR 87 -2.613 -11.213 -4.293 652 HC31 PSR 87 H3A PSR 87 -0.318 -11.164 -3.423 653 HC32 PSR 87 H3B PSR 87 -0.512 -9.436 -3.072 654 HC41 PSR 87 H4C PSR 87 -0.749 -10.745 -5.780 655 HC42 PSR 87 H4A PSR 87 0.625 -9.803 -5.208 656 HC43 PSR 87 H4B PSR 87 -0.940 -9.023 -5.447 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 19.547 8.093 0.250 2 H2 MET 1 HT2 MET 1 18.571 9.058 -0.687 3 H3 MET 1 HT3 MET 1 20.237 9.260 -0.788 4 HA MET 1 HA MET 1 19.396 8.038 -2.694 5 HB2 MET 1 HB2 MET 1 20.716 6.153 -0.718 6 HB3 MET 1 HB1 MET 1 20.586 5.863 -2.446 7 HG2 MET 1 HG2 MET 1 21.973 7.821 -2.880 8 HG3 MET 1 HG1 MET 1 22.087 8.124 -1.147 9 HE1 MET 1 HE1 MET 1 23.896 4.428 -3.249 10 HE2 MET 1 HE2 MET 1 23.044 5.718 -4.100 11 HE3 MET 1 HE3 MET 1 22.163 4.649 -3.008 12 H ALA 2 HN ALA 2 18.709 6.210 0.300 13 HA ALA 2 HA ALA 2 16.582 4.762 -0.908 14 HB1 ALA 2 HB1 ALA 2 17.269 5.175 2.012 15 HB2 ALA 2 HB2 ALA 2 17.843 3.852 1.000 16 HB3 ALA 2 HB3 ALA 2 16.128 3.985 1.387 17 H THR 3 HN THR 3 15.099 6.074 -1.711 18 HA THR 3 HA THR 3 14.094 8.329 -0.250 19 HB THR 3 HB THR 3 14.420 8.551 -2.635 20 HG1 THR 3 HG1 THR 3 12.368 9.176 -3.351 21 HG21 THR 3 HG21 THR 3 12.500 6.246 -3.043 22 HG22 THR 3 HG22 THR 3 14.233 6.238 -3.370 23 HG23 THR 3 HG23 THR 3 13.160 7.260 -4.328 24 H LEU 4 HN LEU 4 12.818 7.873 1.419 25 HA LEU 4 HA LEU 4 11.165 5.501 1.366 26 HB2 LEU 4 HB2 LEU 4 11.644 7.492 3.577 27 HB3 LEU 4 HB1 LEU 4 10.687 6.032 3.729 28 HG LEU 4 HG LEU 4 13.657 6.175 3.209 29 HD11 LEU 4 HD11 LEU 4 12.078 5.191 5.559 30 HD12 LEU 4 HD12 LEU 4 13.041 6.675 5.501 31 HD13 LEU 4 HD13 LEU 4 13.825 5.093 5.379 32 HD21 LEU 4 HD21 LEU 4 11.859 3.771 3.481 33 HD22 LEU 4 HD22 LEU 4 13.619 3.732 3.378 34 HD23 LEU 4 HD23 LEU 4 12.666 4.298 2.005 35 H LEU 5 HN LEU 5 8.956 5.572 2.030 36 HA LEU 5 HA LEU 5 7.643 7.731 0.597 37 HB2 LEU 5 HB2 LEU 5 6.664 5.053 1.486 38 HB3 LEU 5 HB1 LEU 5 5.721 6.211 0.563 39 HG LEU 5 HG LEU 5 8.200 4.765 -0.340 40 HD11 LEU 5 HD11 LEU 5 6.707 3.783 -2.003 41 HD12 LEU 5 HD12 LEU 5 5.343 4.634 -1.280 42 HD13 LEU 5 HD13 LEU 5 6.197 3.395 -0.359 43 HD21 LEU 5 HD21 LEU 5 7.871 5.906 -2.471 44 HD22 LEU 5 HD22 LEU 5 8.196 7.046 -1.164 45 HD23 LEU 5 HD23 LEU 5 6.551 6.839 -1.765 46 H THR 6 HN THR 6 6.386 9.149 1.520 47 HA THR 6 HA THR 6 5.712 8.802 4.317 48 HB THR 6 HB THR 6 4.952 11.206 4.147 49 HG1 THR 6 HG1 THR 6 5.307 12.336 2.317 50 HG21 THR 6 HG21 THR 6 7.208 12.171 4.044 51 HG22 THR 6 HG22 THR 6 7.814 10.678 3.328 52 HG23 THR 6 HG23 THR 6 7.195 10.678 4.979 53 H THR 7 HN THR 7 3.413 9.749 4.822 54 HA THR 7 HA THR 7 1.482 8.086 3.877 55 HB THR 7 HB THR 7 0.955 10.856 4.922 56 HG1 THR 7 HG1 THR 7 1.589 10.140 6.900 57 HG21 THR 7 HG21 THR 7 -0.856 9.677 6.093 58 HG22 THR 7 HG22 THR 7 -0.320 8.148 5.394 59 HG23 THR 7 HG23 THR 7 -0.972 9.413 4.354 60 H ASP 8 HN ASP 8 2.331 11.343 2.748 61 HA ASP 8 HA ASP 8 0.133 11.886 1.134 62 HB2 ASP 8 HB2 ASP 8 2.971 12.853 0.953 63 HB3 ASP 8 HB1 ASP 8 1.686 13.441 -0.093 64 H ASP 9 HN ASP 9 3.233 10.442 0.175 65 HA ASP 9 HA ASP 9 2.457 10.185 -2.552 66 HB2 ASP 9 HB2 ASP 9 4.847 10.181 -1.806 67 HB3 ASP 9 HB1 ASP 9 4.587 8.574 -1.122 68 H LEU 10 HN LEU 10 2.408 8.074 0.214 69 HA LEU 10 HA LEU 10 1.624 5.691 -1.056 70 HB2 LEU 10 HB2 LEU 10 2.502 5.800 1.236 71 HB3 LEU 10 HB1 LEU 10 1.059 6.649 1.748 72 HG LEU 10 HG LEU 10 -0.247 4.617 1.030 73 HD11 LEU 10 HD11 LEU 10 0.944 2.492 0.938 74 HD12 LEU 10 HD12 LEU 10 2.479 3.360 0.966 75 HD13 LEU 10 HD13 LEU 10 1.371 3.569 -0.391 76 HD21 LEU 10 HD21 LEU 10 1.725 4.320 3.282 77 HD22 LEU 10 HD22 LEU 10 0.234 3.397 3.091 78 HD23 LEU 10 HD23 LEU 10 0.167 5.139 3.358 79 H ARG 11 HN ARG 11 -0.204 8.383 0.316 80 HA ARG 11 HA ARG 11 -2.769 7.368 0.305 81 HB2 ARG 11 HB2 ARG 11 -1.957 9.682 1.124 82 HB3 ARG 11 HB1 ARG 11 -2.217 10.212 -0.533 83 HG2 ARG 11 HG2 ARG 11 -4.575 9.427 -0.349 84 HG3 ARG 11 HG1 ARG 11 -4.272 9.094 1.356 85 HD2 ARG 11 HD2 ARG 11 -5.307 11.206 1.311 86 HD3 ARG 11 HD1 ARG 11 -3.590 11.533 1.551 87 HE ARG 11 HE ARG 11 -3.821 11.665 -1.109 88 HH11 ARG 11 HH11 ARG 11 -5.633 13.291 1.499 89 HH12 ARG 11 HH12 ARG 11 -6.140 14.573 0.507 90 HH21 ARG 11 HH21 ARG 11 -4.499 13.498 -2.434 91 HH22 ARG 11 HH22 ARG 11 -5.473 14.702 -1.725 92 H ARG 12 HN ARG 12 -0.967 8.866 -2.296 93 HA ARG 12 HA ARG 12 -3.002 8.978 -4.212 94 HB2 ARG 12 HB2 ARG 12 -0.048 8.621 -4.712 95 HB3 ARG 12 HB1 ARG 12 -1.240 9.144 -5.899 96 HG2 ARG 12 HG2 ARG 12 -1.717 11.095 -4.399 97 HG3 ARG 12 HG1 ARG 12 -0.326 10.564 -3.445 98 HD2 ARG 12 HD2 ARG 12 -0.257 11.291 -6.369 99 HD3 ARG 12 HD1 ARG 12 0.240 12.349 -5.052 100 HE ARG 12 HE ARG 12 1.804 10.268 -4.614 101 HH11 ARG 12 HH11 ARG 12 0.987 11.688 -7.770 102 HH12 ARG 12 HH12 ARG 12 2.562 11.520 -8.398 103 HH21 ARG 12 HH21 ARG 12 3.970 10.046 -5.503 104 HH22 ARG 12 HH22 ARG 12 4.301 10.633 -7.067 105 H ALA 13 HN ALA 13 -0.744 6.445 -3.428 106 HA ALA 13 HA ALA 13 -1.479 4.696 -5.537 107 HB1 ALA 13 HB1 ALA 13 -0.326 2.955 -4.268 108 HB2 ALA 13 HB2 ALA 13 -0.285 4.005 -2.851 109 HB3 ALA 13 HB3 ALA 13 0.626 4.439 -4.298 110 H LEU 14 HN LEU 14 -2.499 4.921 -2.160 111 HA LEU 14 HA LEU 14 -4.372 2.799 -2.271 112 HB2 LEU 14 HB2 LEU 14 -3.977 5.075 -0.368 113 HB3 LEU 14 HB1 LEU 14 -5.421 4.099 -0.254 114 HG LEU 14 HG LEU 14 -3.803 3.383 1.372 115 HD11 LEU 14 HD11 LEU 14 -5.205 1.674 0.466 116 HD12 LEU 14 HD12 LEU 14 -3.610 1.025 0.843 117 HD13 LEU 14 HD13 LEU 14 -4.050 1.374 -0.830 118 HD21 LEU 14 HD21 LEU 14 -1.757 4.110 0.304 119 HD22 LEU 14 HD22 LEU 14 -1.937 2.859 -0.925 120 HD23 LEU 14 HD23 LEU 14 -1.654 2.412 0.759 121 H VAL 15 HN VAL 15 -4.723 6.230 -2.864 122 HA VAL 15 HA VAL 15 -7.489 6.160 -3.348 123 HB VAL 15 HB VAL 15 -5.293 8.016 -4.332 124 HG11 VAL 15 HG11 VAL 15 -8.269 8.262 -4.793 125 HG12 VAL 15 HG12 VAL 15 -7.012 8.051 -6.032 126 HG13 VAL 15 HG13 VAL 15 -7.085 9.537 -5.089 127 HG21 VAL 15 HG21 VAL 15 -7.545 8.379 -2.370 128 HG22 VAL 15 HG22 VAL 15 -6.358 9.606 -2.811 129 HG23 VAL 15 HG23 VAL 15 -5.843 8.141 -1.976 130 H GLU 16 HN GLU 16 -4.761 5.855 -5.573 131 HA GLU 16 HA GLU 16 -5.958 5.509 -8.027 132 HB2 GLU 16 HB2 GLU 16 -3.575 5.749 -7.719 133 HB3 GLU 16 HB1 GLU 16 -3.486 4.189 -6.918 134 HG2 GLU 16 HG2 GLU 16 -2.652 3.916 -9.111 135 HG3 GLU 16 HG1 GLU 16 -4.231 3.142 -9.055 136 H SER 17 HN SER 17 -5.051 2.806 -5.784 137 HA SER 17 HA SER 17 -6.143 0.917 -7.580 138 HB2 SER 17 HB2 SER 17 -5.612 -0.680 -5.593 139 HB3 SER 17 HB1 SER 17 -4.318 0.156 -6.428 140 HG SER 17 HG SER 17 -5.481 0.936 -3.949 141 H ALA 18 HN ALA 18 -7.600 2.814 -5.218 142 HA ALA 18 HA ALA 18 -9.816 0.961 -4.813 143 HB1 ALA 18 HB1 ALA 18 -9.472 3.801 -3.855 144 HB2 ALA 18 HB2 ALA 18 -8.990 2.379 -2.950 145 HB3 ALA 18 HB3 ALA 18 -10.700 2.657 -3.308 146 H GLY 19 HN GLY 19 -8.982 3.918 -6.431 147 HA2 GLY 19 HA2 GLY 19 -10.249 3.959 -8.679 148 HA3 GLY 19 HA1 GLY 19 -11.627 4.219 -7.599 149 H GLU 20 HN GLU 20 -8.792 5.594 -8.977 150 HA GLU 20 HA GLU 20 -8.540 7.740 -7.170 151 HB2 GLU 20 HB2 GLU 20 -6.640 6.971 -8.505 152 HB3 GLU 20 HB1 GLU 20 -7.461 7.459 -9.978 153 HG2 GLU 20 HG2 GLU 20 -7.307 9.780 -9.317 154 HG3 GLU 20 HG1 GLU 20 -6.575 9.317 -7.783 155 H THR 21 HN THR 21 -10.431 7.254 -9.771 156 HA THR 21 HA THR 21 -11.820 9.735 -9.186 157 HB THR 21 HB THR 21 -11.208 8.874 -12.046 158 HG1 THR 21 HG1 THR 21 -9.807 10.199 -10.254 159 HG21 THR 21 HG21 THR 21 -12.571 11.362 -10.959 160 HG22 THR 21 HG22 THR 21 -13.388 10.043 -11.792 161 HG23 THR 21 HG23 THR 21 -12.222 11.042 -12.658 162 H ASP 22 HN ASP 22 -12.971 8.198 -8.018 163 HA ASP 22 HA ASP 22 -14.979 6.767 -9.629 164 HB2 ASP 22 HB2 ASP 22 -13.469 5.069 -8.808 165 HB3 ASP 22 HB1 ASP 22 -13.561 5.712 -7.179 166 H GLY 23 HN GLY 23 -14.143 8.102 -6.477 167 HA2 GLY 23 HA2 GLY 23 -15.636 9.673 -5.422 168 HA3 GLY 23 HA1 GLY 23 -16.981 8.807 -6.153 169 H THR 24 HN THR 24 -16.127 6.158 -5.536 170 HA THR 24 HA THR 24 -16.443 6.298 -2.661 171 HB THR 24 HB THR 24 -17.308 3.841 -2.978 172 HG1 THR 24 HG1 THR 24 -16.868 4.389 -5.469 173 HG21 THR 24 HG21 THR 24 -18.954 6.251 -3.743 174 HG22 THR 24 HG22 THR 24 -18.636 5.689 -2.102 175 HG23 THR 24 HG23 THR 24 -19.598 4.701 -3.202 176 H ASP 25 HN ASP 25 -14.175 6.694 -2.907 177 HA ASP 25 HA ASP 25 -12.688 4.197 -2.585 178 HB2 ASP 25 HB2 ASP 25 -10.682 5.384 -3.368 179 HB3 ASP 25 HB1 ASP 25 -11.931 5.440 -4.603 180 H LEU 26 HN LEU 26 -10.543 5.086 -1.330 181 HA LEU 26 HA LEU 26 -11.645 5.798 1.198 182 HB2 LEU 26 HB2 LEU 26 -9.258 5.552 2.032 183 HB3 LEU 26 HB1 LEU 26 -10.020 4.134 1.353 184 HG LEU 26 HG LEU 26 -8.737 4.852 -0.827 185 HD11 LEU 26 HD11 LEU 26 -7.893 6.963 -0.036 186 HD12 LEU 26 HD12 LEU 26 -6.580 5.839 -0.408 187 HD13 LEU 26 HD13 LEU 26 -7.035 6.142 1.271 188 HD21 LEU 26 HD21 LEU 26 -6.851 3.472 -0.145 189 HD22 LEU 26 HD22 LEU 26 -8.396 2.773 0.324 190 HD23 LEU 26 HD23 LEU 26 -7.384 3.574 1.531 191 H SER 27 HN SER 27 -9.471 7.437 -1.005 192 HA SER 27 HA SER 27 -8.985 9.642 -1.373 193 HB2 SER 27 HB2 SER 27 -11.344 10.140 0.345 194 HB3 SER 27 HB1 SER 27 -10.643 11.292 -0.797 195 HG SER 27 HG SER 27 -11.150 9.043 -2.122 196 H GLY 28 HN GLY 28 -7.976 8.298 1.089 197 HA2 GLY 28 HA2 GLY 28 -6.289 9.381 2.510 198 HA3 GLY 28 HA1 GLY 28 -7.436 10.713 2.707 199 H ASP 29 HN ASP 29 -6.718 9.887 5.038 200 HA ASP 29 HA ASP 29 -7.096 8.697 6.938 201 HB2 ASP 29 HB2 ASP 29 -9.919 9.123 5.938 202 HB3 ASP 29 HB1 ASP 29 -9.590 8.359 7.489 203 H PHE 30 HN PHE 30 -6.010 6.920 6.370 204 HA PHE 30 HA PHE 30 -7.600 4.557 5.727 205 HB2 PHE 30 HB2 PHE 30 -6.679 4.242 3.432 206 HB3 PHE 30 HB1 PHE 30 -7.210 5.868 3.619 207 HD1 PHE 30 HD2 PHE 30 -5.705 7.759 3.821 208 HD2 PHE 30 HD1 PHE 30 -4.244 3.816 3.201 209 HE1 PHE 30 HE2 PHE 30 -3.509 8.668 3.220 210 HE2 PHE 30 HE1 PHE 30 -2.042 4.729 2.605 211 HZ PHE 30 HZ PHE 30 -1.673 7.153 2.617 212 H LEU 31 HN LEU 31 -4.528 6.119 6.393 213 HA LEU 31 HA LEU 31 -2.718 4.072 6.153 214 HB2 LEU 31 HB2 LEU 31 -2.187 6.444 6.383 215 HB3 LEU 31 HB1 LEU 31 -2.616 6.366 8.079 216 HG LEU 31 HG LEU 31 -0.777 4.750 8.409 217 HD11 LEU 31 HD11 LEU 31 -0.650 3.880 6.131 218 HD12 LEU 31 HD12 LEU 31 0.907 4.532 6.642 219 HD13 LEU 31 HD13 LEU 31 -0.122 5.457 5.549 220 HD21 LEU 31 HD21 LEU 31 -0.037 7.389 7.177 221 HD22 LEU 31 HD22 LEU 31 0.998 6.402 8.212 222 HD23 LEU 31 HD23 LEU 31 -0.487 7.104 8.859 223 H ASP 32 HN ASP 32 -4.589 4.946 9.038 224 HA ASP 32 HA ASP 32 -3.222 2.795 10.506 225 HB2 ASP 32 HB2 ASP 32 -5.078 4.934 11.592 226 HB3 ASP 32 HB1 ASP 32 -4.103 3.818 12.530 227 H LEU 33 HN LEU 33 -5.735 3.118 8.607 228 HA LEU 33 HA LEU 33 -7.761 1.793 10.211 229 HB2 LEU 33 HB2 LEU 33 -8.226 3.753 8.714 230 HB3 LEU 33 HB1 LEU 33 -7.821 2.742 7.350 231 HG LEU 33 HG LEU 33 -9.758 1.344 7.754 232 HD11 LEU 33 HD11 LEU 33 -10.238 3.159 10.115 233 HD12 LEU 33 HD12 LEU 33 -9.743 1.468 10.199 234 HD13 LEU 33 HD13 LEU 33 -11.324 1.894 9.542 235 HD21 LEU 33 HD21 LEU 33 -10.425 4.283 7.898 236 HD22 LEU 33 HD22 LEU 33 -11.502 3.000 7.349 237 HD23 LEU 33 HD23 LEU 33 -10.044 3.380 6.432 238 H ARG 34 HN ARG 34 -8.615 -0.299 9.577 239 HA ARG 34 HA ARG 34 -6.610 -2.045 8.454 240 HB2 ARG 34 HB2 ARG 34 -8.594 -2.433 10.278 241 HB3 ARG 34 HB1 ARG 34 -9.424 -2.982 8.836 242 HG2 ARG 34 HG2 ARG 34 -6.795 -4.081 9.823 243 HG3 ARG 34 HG1 ARG 34 -8.364 -4.791 10.165 244 HD2 ARG 34 HD2 ARG 34 -8.690 -5.322 7.845 245 HD3 ARG 34 HD1 ARG 34 -7.260 -4.395 7.382 246 HE ARG 34 HE ARG 34 -6.489 -6.308 9.235 247 HH11 ARG 34 HH11 ARG 34 -7.672 -6.312 5.799 248 HH12 ARG 34 HH12 ARG 34 -6.759 -7.701 5.467 249 HH21 ARG 34 HH21 ARG 34 -5.340 -8.279 8.562 250 HH22 ARG 34 HH22 ARG 34 -5.500 -8.798 6.953 251 H PHE 35 HN PHE 35 -6.647 -2.955 6.392 252 HA PHE 35 HA PHE 35 -7.560 -1.551 4.247 253 HB2 PHE 35 HB2 PHE 35 -6.913 -4.467 4.430 254 HB3 PHE 35 HB1 PHE 35 -7.405 -3.741 2.911 255 HD1 PHE 35 HD2 PHE 35 -6.005 -1.857 1.986 256 HD2 PHE 35 HD1 PHE 35 -4.749 -4.288 5.229 257 HE1 PHE 35 HE2 PHE 35 -3.689 -1.141 1.623 258 HE2 PHE 35 HE1 PHE 35 -2.425 -3.577 4.880 259 HZ PHE 35 HZ PHE 35 -1.894 -2.041 2.955 260 H GLU 36 HN GLU 36 -9.448 -4.038 5.848 261 HA GLU 36 HA GLU 36 -11.485 -4.359 3.995 262 HB2 GLU 36 HB2 GLU 36 -11.683 -4.401 7.002 263 HB3 GLU 36 HB1 GLU 36 -12.874 -5.068 5.894 264 HG2 GLU 36 HG2 GLU 36 -11.172 -6.626 5.044 265 HG3 GLU 36 HG1 GLU 36 -10.032 -5.987 6.226 266 H ASP 37 HN ASP 37 -10.993 -1.787 6.346 267 HA ASP 37 HA ASP 37 -13.642 -0.692 5.986 268 HB2 ASP 37 HB2 ASP 37 -11.252 0.282 7.559 269 HB3 ASP 37 HB1 ASP 37 -12.800 1.105 7.516 270 H ILE 38 HN ILE 38 -10.714 -0.482 4.328 271 HA ILE 38 HA ILE 38 -11.516 2.123 3.264 272 HB ILE 38 HB ILE 38 -9.292 2.359 2.227 273 HG12 ILE 38 HG12 ILE 38 -8.584 -0.163 3.742 274 HG13 ILE 38 HG11 ILE 38 -8.735 -0.030 1.998 275 HG21 ILE 38 HG21 ILE 38 -9.687 3.367 4.368 276 HG22 ILE 38 HG22 ILE 38 -8.025 2.793 4.271 277 HG23 ILE 38 HG23 ILE 38 -9.221 1.879 5.191 278 HD11 ILE 38 HD11 ILE 38 -6.697 1.385 3.707 279 HD12 ILE 38 HD12 ILE 38 -6.847 1.515 1.954 280 HD13 ILE 38 HD13 ILE 38 -6.413 -0.029 2.689 281 H GLY 39 HN GLY 39 -12.218 -0.846 2.669 282 HA2 GLY 39 HA2 GLY 39 -13.516 -1.530 0.879 283 HA3 GLY 39 HA1 GLY 39 -12.853 -0.212 -0.078 284 H TYR 40 HN TYR 40 -10.633 -2.255 1.628 285 HA TYR 40 HA TYR 40 -9.972 -3.373 -0.971 286 HB2 TYR 40 HB2 TYR 40 -7.982 -3.061 1.363 287 HB3 TYR 40 HB1 TYR 40 -7.776 -3.889 -0.109 288 HD1 TYR 40 HD2 TYR 40 -9.710 -0.854 -0.483 289 HD2 TYR 40 HD1 TYR 40 -5.824 -2.530 -0.459 290 HE1 TYR 40 HE2 TYR 40 -8.902 1.034 -1.770 291 HE2 TYR 40 HE1 TYR 40 -5.009 -0.646 -1.760 292 HH TYR 40 HH TYR 40 -6.811 2.158 -2.331 293 H ASP 41 HN ASP 41 -10.642 -5.206 -1.340 294 HA ASP 41 HA ASP 41 -11.256 -7.128 0.744 295 HB2 ASP 41 HB2 ASP 41 -11.263 -7.475 -2.276 296 HB3 ASP 41 HB1 ASP 41 -11.965 -8.580 -1.113 297 H SER 42 HN SER 42 -9.119 -6.739 -1.989 298 HA SER 42 HA SER 42 -6.761 -7.768 -0.909 299 HB2 SER 42 HB2 SER 42 -6.704 -9.984 -2.167 300 HB3 SER 42 HB1 SER 42 -7.807 -9.947 -0.778 301 H LEU 43 HN LEU 43 -8.758 -7.763 -3.876 302 HA LEU 43 HA LEU 43 -6.759 -7.656 -5.808 303 HB2 LEU 43 HB2 LEU 43 -9.308 -7.892 -6.100 304 HB3 LEU 43 HB1 LEU 43 -9.372 -6.150 -6.005 305 HG LEU 43 HG LEU 43 -9.553 -6.903 -8.305 306 HD11 LEU 43 HD11 LEU 43 -7.771 -5.646 -9.413 307 HD12 LEU 43 HD12 LEU 43 -6.896 -5.546 -7.892 308 HD13 LEU 43 HD13 LEU 43 -8.462 -4.766 -8.053 309 HD21 LEU 43 HD21 LEU 43 -8.423 -9.019 -8.130 310 HD22 LEU 43 HD22 LEU 43 -6.876 -8.206 -7.904 311 HD23 LEU 43 HD23 LEU 43 -7.730 -8.066 -9.440 312 H ALA 44 HN ALA 44 -8.460 -4.944 -4.279 313 HA ALA 44 HA ALA 44 -7.007 -2.971 -5.605 314 HB1 ALA 44 HB1 ALA 44 -8.342 -2.764 -2.917 315 HB2 ALA 44 HB2 ALA 44 -9.139 -2.564 -4.478 316 HB3 ALA 44 HB3 ALA 44 -7.891 -1.425 -3.970 317 H LEU 45 HN LEU 45 -6.318 -4.659 -2.586 318 HA LEU 45 HA LEU 45 -4.230 -2.960 -1.671 319 HB2 LEU 45 HB2 LEU 45 -5.433 -4.649 -0.257 320 HB3 LEU 45 HB1 LEU 45 -4.631 -5.922 -1.136 321 HG LEU 45 HG LEU 45 -3.165 -3.903 0.608 322 HD11 LEU 45 HD11 LEU 45 -4.716 -5.223 1.923 323 HD12 LEU 45 HD12 LEU 45 -3.027 -5.618 2.246 324 HD13 LEU 45 HD13 LEU 45 -4.012 -6.710 1.255 325 HD21 LEU 45 HD21 LEU 45 -2.294 -6.588 -0.475 326 HD22 LEU 45 HD22 LEU 45 -1.347 -5.538 0.585 327 HD23 LEU 45 HD23 LEU 45 -1.730 -5.022 -1.058 328 H MET 46 HN MET 46 -4.310 -5.858 -3.477 329 HA MET 46 HA MET 46 -1.489 -6.139 -3.803 330 HB2 MET 46 HB2 MET 46 -1.862 -7.915 -5.328 331 HB3 MET 46 HB1 MET 46 -3.204 -7.984 -4.209 332 HG2 MET 46 HG2 MET 46 -4.234 -8.365 -6.234 333 HG3 MET 46 HG1 MET 46 -4.437 -6.621 -6.004 334 HE1 MET 46 HE1 MET 46 -5.005 -6.320 -8.564 335 HE2 MET 46 HE2 MET 46 -4.808 -8.056 -8.817 336 HE3 MET 46 HE3 MET 46 -3.984 -6.912 -9.874 337 H GLU 47 HN GLU 47 -3.850 -4.352 -5.555 338 HA GLU 47 HA GLU 47 -2.224 -3.683 -7.778 339 HB2 GLU 47 HB2 GLU 47 -4.625 -3.704 -7.987 340 HB3 GLU 47 HB1 GLU 47 -4.803 -2.573 -6.666 341 HG2 GLU 47 HG2 GLU 47 -5.255 -1.590 -8.848 342 HG3 GLU 47 HG1 GLU 47 -3.938 -0.798 -8.004 343 H THR 48 HN THR 48 -2.935 -2.140 -4.635 344 HA THR 48 HA THR 48 -1.559 0.316 -4.954 345 HB THR 48 HB THR 48 -1.527 -1.424 -2.472 346 HG1 THR 48 HG1 THR 48 -3.664 0.039 -3.613 347 HG21 THR 48 HG21 THR 48 -0.231 0.636 -2.377 348 HG22 THR 48 HG22 THR 48 -1.632 0.730 -1.310 349 HG23 THR 48 HG23 THR 48 -1.649 1.562 -2.865 350 H ALA 49 HN ALA 49 -0.524 -2.849 -3.768 351 HA ALA 49 HA ALA 49 2.166 -2.308 -3.370 352 HB1 ALA 49 HB1 ALA 49 2.514 -4.724 -3.564 353 HB2 ALA 49 HB2 ALA 49 0.905 -4.900 -4.266 354 HB3 ALA 49 HB3 ALA 49 1.083 -4.366 -2.591 355 H ALA 50 HN ALA 50 0.601 -3.769 -6.217 356 HA ALA 50 HA ALA 50 2.744 -3.985 -7.931 357 HB1 ALA 50 HB1 ALA 50 -0.075 -3.236 -8.695 358 HB2 ALA 50 HB2 ALA 50 0.506 -4.873 -8.392 359 HB3 ALA 50 HB3 ALA 50 1.140 -3.949 -9.755 360 H ARG 51 HN ARG 51 0.775 -1.157 -7.335 361 HA ARG 51 HA ARG 51 1.829 0.543 -9.309 362 HB2 ARG 51 HB2 ARG 51 0.477 1.006 -6.676 363 HB3 ARG 51 HB1 ARG 51 0.947 2.389 -7.616 364 HG2 ARG 51 HG2 ARG 51 -0.892 0.180 -8.514 365 HG3 ARG 51 HG1 ARG 51 -1.399 1.758 -7.915 366 HD2 ARG 51 HD2 ARG 51 -0.504 2.868 -9.784 367 HD3 ARG 51 HD1 ARG 51 0.414 1.462 -10.306 368 HE ARG 51 HE ARG 51 -1.990 0.489 -10.450 369 HH11 ARG 51 HH11 ARG 51 -0.988 3.771 -11.423 370 HH12 ARG 51 HH12 ARG 51 -1.980 3.795 -12.812 371 HH21 ARG 51 HH21 ARG 51 -3.325 0.559 -12.410 372 HH22 ARG 51 HH22 ARG 51 -3.326 1.947 -13.377 373 H LEU 52 HN LEU 52 2.629 0.377 -5.869 374 HA LEU 52 HA LEU 52 4.785 2.189 -6.145 375 HB2 LEU 52 HB2 LEU 52 4.127 0.329 -3.873 376 HB3 LEU 52 HB1 LEU 52 5.306 1.626 -3.809 377 HG LEU 52 HG LEU 52 2.335 1.975 -4.229 378 HD11 LEU 52 HD11 LEU 52 2.366 3.016 -2.031 379 HD12 LEU 52 HD12 LEU 52 4.078 2.626 -1.872 380 HD13 LEU 52 HD13 LEU 52 2.881 1.331 -1.963 381 HD21 LEU 52 HD21 LEU 52 3.602 3.680 -5.419 382 HD22 LEU 52 HD22 LEU 52 4.518 4.042 -3.954 383 HD23 LEU 52 HD23 LEU 52 2.786 4.373 -4.016 384 H GLU 53 HN GLU 53 4.624 -1.341 -6.057 385 HA GLU 53 HA GLU 53 7.340 -1.927 -5.906 386 HB2 GLU 53 HB2 GLU 53 5.155 -3.386 -7.403 387 HB3 GLU 53 HB1 GLU 53 6.779 -4.011 -7.196 388 HG2 GLU 53 HG2 GLU 53 6.411 -4.005 -4.726 389 HG3 GLU 53 HG1 GLU 53 4.777 -3.441 -5.033 390 H SER 54 HN SER 54 5.323 -1.283 -8.696 391 HA SER 54 HA SER 54 7.256 -1.664 -10.670 392 HB2 SER 54 HB2 SER 54 4.863 -1.646 -11.146 393 HB3 SER 54 HB1 SER 54 4.758 0.045 -10.668 394 HG SER 54 HG SER 54 5.770 -1.125 -12.980 395 H ARG 55 HN ARG 55 6.147 1.363 -9.111 396 HA ARG 55 HA ARG 55 7.811 3.056 -10.655 397 HB2 ARG 55 HB2 ARG 55 5.801 3.850 -9.431 398 HB3 ARG 55 HB1 ARG 55 6.674 3.650 -7.918 399 HG2 ARG 55 HG2 ARG 55 8.398 5.260 -8.839 400 HG3 ARG 55 HG1 ARG 55 7.262 5.593 -10.145 401 HD2 ARG 55 HD2 ARG 55 6.823 6.036 -7.191 402 HD3 ARG 55 HD1 ARG 55 7.063 7.274 -8.419 403 HE ARG 55 HE ARG 55 4.915 6.078 -9.359 404 HH11 ARG 55 HH11 ARG 55 5.654 7.202 -6.057 405 HH12 ARG 55 HH12 ARG 55 4.075 7.401 -5.565 406 HH21 ARG 55 HH21 ARG 55 2.684 6.304 -8.726 407 HH22 ARG 55 HH22 ARG 55 2.240 6.872 -7.208 408 H TYR 56 HN TYR 56 8.358 1.599 -7.382 409 HA TYR 56 HA TYR 56 10.770 3.116 -7.190 410 HB2 TYR 56 HB2 TYR 56 9.180 1.462 -5.283 411 HB3 TYR 56 HB1 TYR 56 10.691 2.267 -4.886 412 HD1 TYR 56 HD2 TYR 56 10.799 4.798 -5.224 413 HD2 TYR 56 HD1 TYR 56 7.150 2.626 -5.206 414 HE1 TYR 56 HE2 TYR 56 9.564 6.882 -4.880 415 HE2 TYR 56 HE1 TYR 56 5.903 4.705 -4.872 416 HH TYR 56 HH TYR 56 6.228 6.999 -4.053 417 H GLY 57 HN GLY 57 9.903 0.044 -8.267 418 HA2 GLY 57 HA2 GLY 57 11.285 -1.654 -8.971 419 HA3 GLY 57 HA1 GLY 57 12.661 -0.725 -8.389 420 H VAL 58 HN VAL 58 9.806 -2.000 -6.783 421 HA VAL 58 HA VAL 58 11.577 -3.556 -5.063 422 HB VAL 58 HB VAL 58 10.146 -3.140 -3.077 423 HG11 VAL 58 HG11 VAL 58 10.856 -0.849 -2.615 424 HG12 VAL 58 HG12 VAL 58 11.223 -0.627 -4.325 425 HG13 VAL 58 HG13 VAL 58 12.137 -1.799 -3.372 426 HG21 VAL 58 HG21 VAL 58 8.751 -1.097 -4.814 427 HG22 VAL 58 HG22 VAL 58 8.508 -1.307 -3.079 428 HG23 VAL 58 HG23 VAL 58 8.047 -2.592 -4.198 429 H SER 59 HN SER 59 10.030 -5.143 -3.651 430 HA SER 59 HA SER 59 7.919 -6.134 -5.356 431 HB2 SER 59 HB2 SER 59 10.296 -7.813 -4.547 432 HB3 SER 59 HB1 SER 59 8.839 -8.418 -5.335 433 HG SER 59 HG SER 59 9.738 -6.336 -6.696 434 H ILE 60 HN ILE 60 6.351 -7.167 -4.289 435 HA ILE 60 HA ILE 60 6.711 -7.705 -1.416 436 HB ILE 60 HB ILE 60 4.279 -6.499 -2.770 437 HG12 ILE 60 HG12 ILE 60 6.135 -5.369 -0.667 438 HG13 ILE 60 HG11 ILE 60 6.096 -4.905 -2.365 439 HG21 ILE 60 HG21 ILE 60 3.254 -6.432 -0.531 440 HG22 ILE 60 HG22 ILE 60 4.637 -7.309 0.123 441 HG23 ILE 60 HG23 ILE 60 3.579 -8.085 -1.054 442 HD11 ILE 60 HD11 ILE 60 3.839 -4.050 -2.075 443 HD12 ILE 60 HD12 ILE 60 4.991 -3.292 -0.972 444 HD13 ILE 60 HD13 ILE 60 3.885 -4.528 -0.374 445 HA PRO 61 HA PRO 61 5.466 -11.835 -2.760 446 HB2 PRO 61 HB2 PRO 61 5.215 -12.065 0.198 447 HB3 PRO 61 HB1 PRO 61 6.089 -13.119 -0.937 448 HG2 PRO 61 HG2 PRO 61 7.443 -11.475 0.619 449 HG3 PRO 61 HG1 PRO 61 7.894 -11.629 -1.092 450 HD2 PRO 61 HD2 PRO 61 6.311 -9.476 0.261 451 HD3 PRO 61 HD1 PRO 61 7.611 -9.330 -0.942 452 H ASP 62 HN ASP 62 3.526 -12.773 -3.017 453 HA ASP 62 HA ASP 62 1.097 -11.444 -2.573 454 HB2 ASP 62 HB2 ASP 62 1.555 -14.405 -3.045 455 HB3 ASP 62 HB1 ASP 62 -0.023 -13.638 -3.039 456 H ASP 63 HN ASP 63 2.648 -13.992 -0.735 457 HA ASP 63 HA ASP 63 0.486 -14.272 1.100 458 HB2 ASP 63 HB2 ASP 63 3.324 -15.258 1.165 459 HB3 ASP 63 HB1 ASP 63 2.253 -15.464 2.545 460 H VAL 64 HN VAL 64 3.163 -12.157 0.930 461 HA VAL 64 HA VAL 64 2.883 -11.406 3.696 462 HB VAL 64 HB VAL 64 4.648 -10.151 1.555 463 HG11 VAL 64 HG11 VAL 64 4.633 -9.730 4.550 464 HG12 VAL 64 HG12 VAL 64 4.108 -8.553 3.344 465 HG13 VAL 64 HG13 VAL 64 5.800 -9.048 3.418 466 HG21 VAL 64 HG21 VAL 64 5.291 -12.036 3.818 467 HG22 VAL 64 HG22 VAL 64 6.463 -11.306 2.720 468 HG23 VAL 64 HG23 VAL 64 5.265 -12.442 2.102 469 H ALA 65 HN ALA 65 1.958 -10.140 0.548 470 HA ALA 65 HA ALA 65 0.844 -7.736 1.508 471 HB1 ALA 65 HB1 ALA 65 -0.039 -9.334 -0.902 472 HB2 ALA 65 HB2 ALA 65 1.257 -8.129 -0.875 473 HB3 ALA 65 HB3 ALA 65 -0.408 -7.641 -0.561 474 H GLY 66 HN GLY 66 -0.475 -10.989 1.212 475 HA2 GLY 66 HA2 GLY 66 -3.029 -10.205 2.336 476 HA3 GLY 66 HA1 GLY 66 -2.507 -11.846 1.986 477 H ARG 67 HN ARG 67 -0.381 -9.921 3.758 478 HA ARG 67 HA ARG 67 -1.075 -11.237 6.287 479 HB2 ARG 67 HB2 ARG 67 0.864 -12.269 5.484 480 HB3 ARG 67 HB1 ARG 67 1.598 -10.789 4.934 481 HG2 ARG 67 HG2 ARG 67 1.913 -10.156 7.321 482 HG3 ARG 67 HG1 ARG 67 1.267 -11.741 7.774 483 HD2 ARG 67 HD2 ARG 67 3.025 -12.866 6.637 484 HD3 ARG 67 HD1 ARG 67 3.587 -11.367 5.902 485 HE ARG 67 HE ARG 67 3.690 -11.069 8.659 486 HH11 ARG 67 HH11 ARG 67 5.245 -13.148 6.227 487 HH12 ARG 67 HH12 ARG 67 6.767 -13.133 6.989 488 HH21 ARG 67 HH21 ARG 67 5.661 -11.075 9.697 489 HH22 ARG 67 HH22 ARG 67 7.027 -11.946 9.086 490 H VAL 68 HN VAL 68 -0.587 -8.264 4.654 491 HA VAL 68 HA VAL 68 0.142 -6.807 7.023 492 HB VAL 68 HB VAL 68 -0.007 -4.759 5.595 493 HG11 VAL 68 HG11 VAL 68 2.085 -5.958 5.700 494 HG12 VAL 68 HG12 VAL 68 1.840 -5.279 4.089 495 HG13 VAL 68 HG13 VAL 68 1.576 -7.001 4.371 496 HG21 VAL 68 HG21 VAL 68 -0.765 -6.679 3.402 497 HG22 VAL 68 HG22 VAL 68 -0.394 -4.966 3.196 498 HG23 VAL 68 HG23 VAL 68 -1.817 -5.457 4.114 499 H ASP 69 HN ASP 69 -1.134 -5.408 8.187 500 HA ASP 69 HA ASP 69 -4.002 -6.020 8.025 501 HB2 ASP 69 HB2 ASP 69 -2.806 -6.402 10.176 502 HB3 ASP 69 HB1 ASP 69 -2.456 -4.687 10.260 503 H THR 70 HN THR 70 -1.949 -3.148 8.537 504 HA THR 70 HA THR 70 -4.127 -1.492 7.464 505 HB THR 70 HB THR 70 -2.981 0.382 8.629 506 HG1 THR 70 HG1 THR 70 -1.464 -1.542 10.048 507 HG21 THR 70 HG21 THR 70 -4.823 -0.785 9.753 508 HG22 THR 70 HG22 THR 70 -3.609 -0.264 10.923 509 HG23 THR 70 HG23 THR 70 -3.681 -1.955 10.415 510 HA PRO 71 HA PRO 71 -1.494 -0.224 4.036 511 HB2 PRO 71 HB2 PRO 71 -2.142 2.567 4.874 512 HB3 PRO 71 HB1 PRO 71 -2.264 1.817 3.275 513 HG2 PRO 71 HG2 PRO 71 -4.446 2.229 4.686 514 HG3 PRO 71 HG1 PRO 71 -4.231 0.699 3.810 515 HD2 PRO 71 HD2 PRO 71 -3.892 1.276 6.727 516 HD3 PRO 71 HD1 PRO 71 -4.644 -0.129 5.939 517 H ARG 72 HN ARG 72 -1.183 1.337 7.194 518 HA ARG 72 HA ARG 72 1.333 2.497 7.022 519 HB2 ARG 72 HB2 ARG 72 -0.080 2.628 9.031 520 HB3 ARG 72 HB1 ARG 72 0.221 0.921 9.349 521 HG2 ARG 72 HG2 ARG 72 2.695 1.541 9.385 522 HG3 ARG 72 HG1 ARG 72 2.146 3.213 9.494 523 HD2 ARG 72 HD2 ARG 72 1.497 0.976 11.393 524 HD3 ARG 72 HD1 ARG 72 2.618 2.302 11.684 525 HE ARG 72 HE ARG 72 0.195 3.467 11.102 526 HH11 ARG 72 HH11 ARG 72 1.397 1.177 13.547 527 HH12 ARG 72 HH12 ARG 72 0.339 1.723 14.756 528 HH21 ARG 72 HH21 ARG 72 -1.210 4.173 12.724 529 HH22 ARG 72 HH22 ARG 72 -1.200 3.522 14.302 530 H GLU 73 HN GLU 73 0.449 -0.825 7.786 531 HA GLU 73 HA GLU 73 3.039 -1.839 8.248 532 HB2 GLU 73 HB2 GLU 73 0.862 -2.889 8.941 533 HB3 GLU 73 HB1 GLU 73 0.588 -3.317 7.263 534 HG2 GLU 73 HG2 GLU 73 1.402 -5.221 8.466 535 HG3 GLU 73 HG1 GLU 73 2.633 -4.689 7.317 536 H LEU 74 HN LEU 74 0.976 -1.695 5.428 537 HA LEU 74 HA LEU 74 2.662 -3.140 3.668 538 HB2 LEU 74 HB2 LEU 74 0.158 -2.706 3.459 539 HB3 LEU 74 HB1 LEU 74 0.542 -1.077 2.985 540 HG LEU 74 HG LEU 74 -0.143 -2.659 1.157 541 HD11 LEU 74 HD11 LEU 74 2.584 -1.397 0.855 542 HD12 LEU 74 HD12 LEU 74 1.031 -0.595 0.613 543 HD13 LEU 74 HD13 LEU 74 1.530 -1.893 -0.471 544 HD21 LEU 74 HD21 LEU 74 2.574 -3.859 1.663 545 HD22 LEU 74 HD22 LEU 74 1.548 -4.206 0.273 546 HD23 LEU 74 HD23 LEU 74 1.013 -4.645 1.895 547 H LEU 75 HN LEU 75 2.231 0.305 4.342 548 HA LEU 75 HA LEU 75 4.047 1.450 2.562 549 HB2 LEU 75 HB2 LEU 75 2.478 2.764 3.877 550 HB3 LEU 75 HB1 LEU 75 3.278 2.286 5.358 551 HG LEU 75 HG LEU 75 5.296 3.533 4.643 552 HD11 LEU 75 HD11 LEU 75 3.545 4.445 2.381 553 HD12 LEU 75 HD12 LEU 75 4.981 3.426 2.250 554 HD13 LEU 75 HD13 LEU 75 5.130 5.101 2.789 555 HD21 LEU 75 HD21 LEU 75 3.658 4.590 6.108 556 HD22 LEU 75 HD22 LEU 75 2.747 5.147 4.706 557 HD23 LEU 75 HD23 LEU 75 4.367 5.772 5.008 558 H ASP 76 HN ASP 76 4.525 0.388 5.906 559 HA ASP 76 HA ASP 76 7.253 1.076 6.082 560 HB2 ASP 76 HB2 ASP 76 5.725 0.604 8.023 561 HB3 ASP 76 HB1 ASP 76 5.871 -1.109 7.642 562 H LEU 77 HN LEU 77 5.607 -1.830 5.093 563 HA LEU 77 HA LEU 77 7.785 -3.572 4.872 564 HB2 LEU 77 HB2 LEU 77 5.434 -4.257 4.752 565 HB3 LEU 77 HB1 LEU 77 5.257 -3.403 3.238 566 HG LEU 77 HG LEU 77 6.887 -4.977 2.216 567 HD11 LEU 77 HD11 LEU 77 7.399 -7.059 3.385 568 HD12 LEU 77 HD12 LEU 77 6.611 -6.438 4.837 569 HD13 LEU 77 HD13 LEU 77 8.071 -5.661 4.225 570 HD21 LEU 77 HD21 LEU 77 5.307 -6.840 2.085 571 HD22 LEU 77 HD22 LEU 77 4.492 -5.281 1.967 572 HD23 LEU 77 HD23 LEU 77 4.437 -6.194 3.475 573 H ILE 78 HN ILE 78 6.425 -1.203 2.627 574 HA ILE 78 HA ILE 78 8.251 -1.879 0.548 575 HB ILE 78 HB ILE 78 6.425 0.533 0.827 576 HG12 ILE 78 HG12 ILE 78 6.243 -2.039 -0.740 577 HG13 ILE 78 HG11 ILE 78 5.239 -1.548 0.614 578 HG21 ILE 78 HG21 ILE 78 6.863 0.959 -1.560 579 HG22 ILE 78 HG22 ILE 78 8.051 -0.348 -1.577 580 HG23 ILE 78 HG23 ILE 78 8.345 1.096 -0.610 581 HD11 ILE 78 HD11 ILE 78 5.315 -0.266 -2.097 582 HD12 ILE 78 HD12 ILE 78 4.273 0.228 -0.756 583 HD13 ILE 78 HD13 ILE 78 4.078 -1.362 -1.500 584 H ASN 79 HN ASN 79 8.089 0.578 3.036 585 HA ASN 79 HA ASN 79 10.398 1.969 2.236 586 HB2 ASN 79 HB2 ASN 79 9.100 1.703 4.949 587 HB3 ASN 79 HB1 ASN 79 10.552 2.661 4.707 588 HD21 ASN 79 HD21 ASN 79 7.971 3.548 5.566 589 HD22 ASN 79 HD22 ASN 79 7.427 4.725 4.411 590 H GLY 80 HN GLY 80 10.004 -0.883 4.239 591 HA2 GLY 80 HA2 GLY 80 12.718 -1.197 4.950 592 HA3 GLY 80 HA1 GLY 80 11.514 -2.482 4.877 593 H ALA 81 HN ALA 81 10.873 -2.146 2.120 594 HA ALA 81 HA ALA 81 12.985 -3.620 0.890 595 HB1 ALA 81 HB1 ALA 81 11.558 -3.566 -1.118 596 HB2 ALA 81 HB2 ALA 81 10.510 -2.377 -0.344 597 HB3 ALA 81 HB3 ALA 81 10.617 -4.007 0.307 598 H LEU 82 HN LEU 82 11.936 -0.289 0.900 599 HA LEU 82 HA LEU 82 13.540 0.628 -1.234 600 HB2 LEU 82 HB2 LEU 82 12.252 2.082 1.066 601 HB3 LEU 82 HB1 LEU 82 13.104 2.891 -0.233 602 HG LEU 82 HG LEU 82 10.673 1.146 -0.642 603 HD11 LEU 82 HD11 LEU 82 10.888 4.148 -0.530 604 HD12 LEU 82 HD12 LEU 82 10.103 3.120 0.668 605 HD13 LEU 82 HD13 LEU 82 9.450 3.226 -0.965 606 HD21 LEU 82 HD21 LEU 82 12.140 1.308 -2.582 607 HD22 LEU 82 HD22 LEU 82 12.112 3.068 -2.467 608 HD23 LEU 82 HD23 LEU 82 10.633 2.186 -2.849 609 H ALA 83 HN ALA 83 14.319 -0.265 1.935 610 HA ALA 83 HA ALA 83 16.545 1.421 2.385 611 HB1 ALA 83 HB1 ALA 83 17.271 -0.235 4.029 612 HB2 ALA 83 HB2 ALA 83 16.116 -1.398 3.381 613 HB3 ALA 83 HB3 ALA 83 15.539 0.069 4.173 614 H GLU 84 HN GLU 84 16.086 -1.339 0.358 615 HA GLU 84 HA GLU 84 18.952 -1.346 -0.259 616 HB2 GLU 84 HB2 GLU 84 18.616 -3.625 -1.119 617 HB3 GLU 84 HB1 GLU 84 18.180 -3.506 0.576 618 HG2 GLU 84 HG2 GLU 84 15.821 -3.417 -0.039 619 HG3 GLU 84 HG1 GLU 84 16.266 -3.515 -1.741 620 H ALA 85 HN ALA 85 16.752 0.433 -1.200 621 HA ALA 85 HA ALA 85 17.171 0.038 -4.055 622 HB1 ALA 85 HB1 ALA 85 14.563 0.816 -2.729 623 HB2 ALA 85 HB2 ALA 85 14.894 -0.723 -3.526 624 HB3 ALA 85 HB3 ALA 85 14.861 0.769 -4.468 625 H ALA 86 HN ALA 86 16.672 2.161 -5.188 626 HA ALA 86 HA ALA 86 16.793 4.521 -3.576 627 HB1 ALA 86 HB1 ALA 86 19.164 3.878 -3.632 628 HB2 ALA 86 HB2 ALA 86 18.891 5.339 -4.583 629 HB3 ALA 86 HB3 ALA 86 19.103 3.786 -5.394 630 H281 PSR 87 H28A PSR 87 -8.483 -11.045 -5.646 631 H282 PSR 87 H28B PSR 87 -7.341 -10.089 -4.706 632 H301 PSR 87 H30A PSR 87 -6.661 -10.410 -7.373 633 H302 PSR 87 H30B PSR 87 -5.055 -11.131 -7.217 634 H303 PSR 87 H30C PSR 87 -5.562 -9.855 -6.107 635 H311 PSR 87 H31A PSR 87 -5.733 -12.805 -4.005 636 H312 PSR 87 H31B PSR 87 -4.986 -11.225 -4.239 637 H313 PSR 87 H31C PSR 87 -4.517 -12.581 -5.263 638 H321 PSR 87 H32A PSR 87 -6.027 -13.546 -6.955 639 H331 PSR 87 H33A PSR 87 -8.516 -13.198 -7.446 640 H361 PSR 87 H36A PSR 87 -6.265 -14.270 -4.468 641 H371 PSR 87 H37A PSR 87 -8.870 -15.504 -4.024 642 H372 PSR 87 H37B PSR 87 -7.436 -16.545 -4.088 643 H381 PSR 87 H38A PSR 87 -7.835 -14.219 -2.225 644 H382 PSR 87 H38B PSR 87 -8.182 -15.883 -1.794 645 H411 PSR 87 H41A PSR 87 -6.366 -13.986 -0.642 646 H421 PSR 87 H42A PSR 87 -4.446 -15.075 0.578 647 H422 PSR 87 H42B PSR 87 -3.699 -15.159 -1.027 648 H431 PSR 87 H43A PSR 87 -2.967 -13.178 0.256 649 H432 PSR 87 H43B PSR 87 -4.655 -12.619 0.304 650 HC21 PSR 87 H2A PSR 87 -2.565 -9.045 -1.967 651 HC22 PSR 87 H2B PSR 87 -3.365 -9.942 -3.258 652 HC31 PSR 87 H3A PSR 87 -1.602 -11.606 -3.243 653 HC32 PSR 87 H3B PSR 87 -0.820 -10.794 -1.877 654 HC41 PSR 87 H4C PSR 87 -1.270 -9.631 -4.618 655 HC42 PSR 87 H4A PSR 87 0.261 -10.242 -3.991 656 HC43 PSR 87 H4B PSR 87 -0.485 -8.819 -3.263 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 18.263 10.500 1.702 2 H2 MET 1 HT2 MET 1 19.878 10.234 2.199 3 H3 MET 1 HT3 MET 1 18.735 8.984 2.258 4 HA MET 1 HA MET 1 19.521 10.342 -0.220 5 HB2 MET 1 HB2 MET 1 21.433 9.108 0.691 6 HB3 MET 1 HB1 MET 1 20.433 7.681 0.891 7 HG2 MET 1 HG2 MET 1 20.177 7.491 -1.514 8 HG3 MET 1 HG1 MET 1 21.120 8.964 -1.743 9 HE1 MET 1 HE1 MET 1 23.503 6.110 -3.033 10 HE2 MET 1 HE2 MET 1 22.673 7.609 -3.451 11 HE3 MET 1 HE3 MET 1 21.744 6.139 -3.161 12 H ALA 2 HN ALA 2 18.180 7.326 1.187 13 HA ALA 2 HA ALA 2 16.694 6.743 -1.139 14 HB1 ALA 2 HB1 ALA 2 16.388 5.692 1.672 15 HB2 ALA 2 HB2 ALA 2 17.428 5.005 0.424 16 HB3 ALA 2 HB3 ALA 2 15.678 4.991 0.219 17 H THR 3 HN THR 3 15.021 7.803 -1.765 18 HA THR 3 HA THR 3 13.488 9.507 -0.059 19 HB THR 3 HB THR 3 12.951 8.559 -2.814 20 HG1 THR 3 HG1 THR 3 14.639 10.627 -1.783 21 HG21 THR 3 HG21 THR 3 11.104 9.762 -1.778 22 HG22 THR 3 HG22 THR 3 11.818 10.748 -3.052 23 HG23 THR 3 HG23 THR 3 12.182 11.091 -1.361 24 H LEU 4 HN LEU 4 12.185 8.531 1.344 25 HA LEU 4 HA LEU 4 11.047 5.931 0.771 26 HB2 LEU 4 HB2 LEU 4 11.057 7.601 3.269 27 HB3 LEU 4 HB1 LEU 4 10.419 5.975 3.135 28 HG LEU 4 HG LEU 4 13.312 6.730 2.729 29 HD11 LEU 4 HD11 LEU 4 12.604 7.008 5.038 30 HD12 LEU 4 HD12 LEU 4 13.667 5.608 4.857 31 HD13 LEU 4 HD13 LEU 4 11.931 5.378 5.033 32 HD21 LEU 4 HD21 LEU 4 13.688 4.304 2.790 33 HD22 LEU 4 HD22 LEU 4 12.654 4.778 1.440 34 HD23 LEU 4 HD23 LEU 4 11.941 4.048 2.874 35 H LEU 5 HN LEU 5 8.848 5.524 1.088 36 HA LEU 5 HA LEU 5 7.163 7.642 0.110 37 HB2 LEU 5 HB2 LEU 5 6.480 4.816 0.890 38 HB3 LEU 5 HB1 LEU 5 5.415 5.944 0.079 39 HG LEU 5 HG LEU 5 7.923 4.718 -1.041 40 HD11 LEU 5 HD11 LEU 5 6.363 3.664 -2.600 41 HD12 LEU 5 HD12 LEU 5 5.009 4.401 -1.740 42 HD13 LEU 5 HD13 LEU 5 6.022 3.206 -0.932 43 HD21 LEU 5 HD21 LEU 5 7.656 7.023 -1.788 44 HD22 LEU 5 HD22 LEU 5 5.991 6.670 -2.260 45 HD23 LEU 5 HD23 LEU 5 7.328 5.886 -3.101 46 H THR 6 HN THR 6 5.937 8.857 1.307 47 HA THR 6 HA THR 6 5.669 8.215 4.131 48 HB THR 6 HB THR 6 4.878 10.580 4.333 49 HG1 THR 6 HG1 THR 6 5.536 10.641 1.539 50 HG21 THR 6 HG21 THR 6 7.259 10.052 4.666 51 HG22 THR 6 HG22 THR 6 7.068 11.639 3.926 52 HG23 THR 6 HG23 THR 6 7.546 10.257 2.939 53 H THR 7 HN THR 7 3.366 9.480 4.781 54 HA THR 7 HA THR 7 1.331 7.731 4.215 55 HB THR 7 HB THR 7 1.038 10.653 4.958 56 HG1 THR 7 HG1 THR 7 1.123 9.540 7.173 57 HG21 THR 7 HG21 THR 7 -1.073 9.461 4.472 58 HG22 THR 7 HG22 THR 7 -0.939 9.847 6.188 59 HG23 THR 7 HG23 THR 7 -0.625 8.204 5.628 60 H ASP 8 HN ASP 8 1.844 10.993 2.862 61 HA ASP 8 HA ASP 8 -0.283 11.028 1.046 62 HB2 ASP 8 HB2 ASP 8 0.881 13.059 1.599 63 HB3 ASP 8 HB1 ASP 8 2.378 12.448 0.901 64 H ASP 9 HN ASP 9 3.001 9.860 0.596 65 HA ASP 9 HA ASP 9 2.871 9.512 -2.227 66 HB2 ASP 9 HB2 ASP 9 4.616 8.012 -0.255 67 HB3 ASP 9 HB1 ASP 9 4.808 8.025 -2.000 68 H LEU 10 HN LEU 10 2.286 7.426 0.482 69 HA LEU 10 HA LEU 10 1.609 5.103 -0.981 70 HB2 LEU 10 HB2 LEU 10 2.294 5.115 1.360 71 HB3 LEU 10 HB1 LEU 10 0.870 6.023 1.793 72 HG LEU 10 HG LEU 10 -0.501 4.062 1.052 73 HD11 LEU 10 HD11 LEU 10 2.184 2.690 0.946 74 HD12 LEU 10 HD12 LEU 10 1.121 3.005 -0.426 75 HD13 LEU 10 HD13 LEU 10 0.615 1.892 0.845 76 HD21 LEU 10 HD21 LEU 10 -0.047 4.463 3.381 77 HD22 LEU 10 HD22 LEU 10 1.497 3.627 3.251 78 HD23 LEU 10 HD23 LEU 10 -0.012 2.730 3.054 79 H ARG 11 HN ARG 11 -0.277 7.658 0.572 80 HA ARG 11 HA ARG 11 -2.874 6.810 0.286 81 HB2 ARG 11 HB2 ARG 11 -2.037 8.822 1.530 82 HB3 ARG 11 HB1 ARG 11 -1.958 9.663 -0.004 83 HG2 ARG 11 HG2 ARG 11 -4.384 9.393 -0.291 84 HG3 ARG 11 HG1 ARG 11 -4.422 8.520 1.252 85 HD2 ARG 11 HD2 ARG 11 -5.120 10.877 1.489 86 HD3 ARG 11 HD1 ARG 11 -3.705 10.464 2.451 87 HE ARG 11 HE ARG 11 -2.692 11.438 0.131 88 HH11 ARG 11 HH11 ARG 11 -5.123 12.758 2.324 89 HH12 ARG 11 HH12 ARG 11 -4.564 14.366 2.253 90 HH21 ARG 11 HH21 ARG 11 -1.806 13.677 0.119 91 HH22 ARG 11 HH22 ARG 11 -2.620 14.879 1.016 92 H ARG 12 HN ARG 12 -1.035 8.705 -2.097 93 HA ARG 12 HA ARG 12 -3.116 9.097 -3.906 94 HB2 ARG 12 HB2 ARG 12 -1.418 9.540 -5.622 95 HB3 ARG 12 HB1 ARG 12 -1.013 10.317 -4.103 96 HG2 ARG 12 HG2 ARG 12 0.610 8.568 -3.630 97 HG3 ARG 12 HG1 ARG 12 0.183 7.759 -5.138 98 HD2 ARG 12 HD2 ARG 12 0.900 9.764 -6.375 99 HD3 ARG 12 HD1 ARG 12 1.382 10.506 -4.850 100 HE ARG 12 HE ARG 12 2.710 8.178 -4.846 101 HH11 ARG 12 HH11 ARG 12 2.465 10.823 -7.182 102 HH12 ARG 12 HH12 ARG 12 4.008 10.637 -7.845 103 HH21 ARG 12 HH21 ARG 12 4.978 7.871 -5.809 104 HH22 ARG 12 HH22 ARG 12 5.446 8.958 -7.013 105 H ALA 13 HN ALA 13 -1.031 6.305 -3.549 106 HA ALA 13 HA ALA 13 -1.917 4.993 -5.915 107 HB1 ALA 13 HB1 ALA 13 -0.738 3.043 -5.027 108 HB2 ALA 13 HB2 ALA 13 -0.543 3.868 -3.478 109 HB3 ALA 13 HB3 ALA 13 0.256 4.496 -4.918 110 H LEU 14 HN LEU 14 -2.803 4.867 -2.511 111 HA LEU 14 HA LEU 14 -4.689 2.753 -2.695 112 HB2 LEU 14 HB2 LEU 14 -4.422 5.027 -0.731 113 HB3 LEU 14 HB1 LEU 14 -5.774 3.929 -0.656 114 HG LEU 14 HG LEU 14 -4.161 3.334 0.999 115 HD11 LEU 14 HD11 LEU 14 -3.687 1.016 0.449 116 HD12 LEU 14 HD12 LEU 14 -4.092 1.342 -1.236 117 HD13 LEU 14 HD13 LEU 14 -5.328 1.492 0.013 118 HD21 LEU 14 HD21 LEU 14 -2.177 4.300 0.039 119 HD22 LEU 14 HD22 LEU 14 -2.173 3.070 -1.225 120 HD23 LEU 14 HD23 LEU 14 -1.905 2.608 0.455 121 H VAL 15 HN VAL 15 -5.110 6.268 -2.765 122 HA VAL 15 HA VAL 15 -7.871 6.255 -3.160 123 HB VAL 15 HB VAL 15 -5.842 8.405 -3.913 124 HG11 VAL 15 HG11 VAL 15 -7.698 9.984 -3.985 125 HG12 VAL 15 HG12 VAL 15 -8.841 8.662 -3.747 126 HG13 VAL 15 HG13 VAL 15 -7.880 8.741 -5.224 127 HG21 VAL 15 HG21 VAL 15 -7.686 8.118 -1.549 128 HG22 VAL 15 HG22 VAL 15 -6.628 9.490 -1.866 129 HG23 VAL 15 HG23 VAL 15 -5.938 7.898 -1.543 130 H GLU 16 HN GLU 16 -5.391 5.529 -5.373 131 HA GLU 16 HA GLU 16 -6.894 5.912 -7.782 132 HB2 GLU 16 HB2 GLU 16 -4.431 5.784 -7.764 133 HB3 GLU 16 HB1 GLU 16 -4.530 4.121 -7.203 134 HG2 GLU 16 HG2 GLU 16 -4.106 3.998 -9.504 135 HG3 GLU 16 HG1 GLU 16 -5.817 3.615 -9.311 136 H SER 17 HN SER 17 -5.972 3.093 -5.804 137 HA SER 17 HA SER 17 -7.449 1.256 -7.354 138 HB2 SER 17 HB2 SER 17 -6.185 0.929 -4.626 139 HB3 SER 17 HB1 SER 17 -6.610 -0.401 -5.714 140 HG SER 17 HG SER 17 -5.309 0.732 -7.277 141 H ALA 18 HN ALA 18 -8.311 3.273 -4.718 142 HA ALA 18 HA ALA 18 -10.618 1.875 -3.846 143 HB1 ALA 18 HB1 ALA 18 -9.629 3.723 -2.563 144 HB2 ALA 18 HB2 ALA 18 -11.332 4.026 -2.906 145 HB3 ALA 18 HB3 ALA 18 -10.082 4.850 -3.842 146 H GLY 19 HN GLY 19 -9.928 3.882 -6.589 147 HA2 GLY 19 HA2 GLY 19 -11.216 3.856 -8.561 148 HA3 GLY 19 HA1 GLY 19 -12.627 3.401 -7.608 149 H GLU 20 HN GLU 20 -13.303 5.043 -6.016 150 HA GLU 20 HA GLU 20 -13.954 7.100 -5.327 151 HB2 GLU 20 HB2 GLU 20 -11.517 7.647 -5.422 152 HB3 GLU 20 HB1 GLU 20 -11.735 8.221 -7.063 153 HG2 GLU 20 HG2 GLU 20 -13.195 9.990 -6.257 154 HG3 GLU 20 HG1 GLU 20 -13.021 9.388 -4.608 155 H THR 21 HN THR 21 -14.656 5.861 -8.049 156 HA THR 21 HA THR 21 -16.561 7.956 -8.658 157 HB THR 21 HB THR 21 -14.777 8.256 -10.363 158 HG1 THR 21 HG1 THR 21 -16.968 8.514 -11.096 159 HG21 THR 21 HG21 THR 21 -15.259 5.366 -11.088 160 HG22 THR 21 HG22 THR 21 -13.804 6.025 -10.341 161 HG23 THR 21 HG23 THR 21 -14.237 6.487 -11.986 162 H ASP 22 HN ASP 22 -16.635 5.699 -7.100 163 HA ASP 22 HA ASP 22 -18.246 3.741 -8.631 164 HB2 ASP 22 HB2 ASP 22 -16.606 3.323 -6.119 165 HB3 ASP 22 HB1 ASP 22 -17.611 2.101 -6.886 166 H GLY 23 HN GLY 23 -17.854 5.428 -5.572 167 HA2 GLY 23 HA2 GLY 23 -20.012 6.354 -4.678 168 HA3 GLY 23 HA1 GLY 23 -20.608 4.697 -4.817 169 H THR 24 HN THR 24 -17.632 4.094 -4.197 170 HA THR 24 HA THR 24 -17.621 4.598 -1.348 171 HB THR 24 HB THR 24 -18.617 2.418 -1.478 172 HG1 THR 24 HG1 THR 24 -17.304 2.178 0.134 173 HG21 THR 24 HG21 THR 24 -18.068 1.793 -3.778 174 HG22 THR 24 HG22 THR 24 -17.610 0.496 -2.675 175 HG23 THR 24 HG23 THR 24 -16.375 1.571 -3.333 176 H ASP 25 HN ASP 25 -15.918 5.959 -1.411 177 HA ASP 25 HA ASP 25 -13.462 4.981 -2.708 178 HB2 ASP 25 HB2 ASP 25 -12.824 7.175 -3.290 179 HB3 ASP 25 HB1 ASP 25 -14.530 7.099 -3.693 180 H LEU 26 HN LEU 26 -11.504 6.375 -1.624 181 HA LEU 26 HA LEU 26 -11.745 5.727 1.187 182 HB2 LEU 26 HB2 LEU 26 -10.061 4.492 0.065 183 HB3 LEU 26 HB1 LEU 26 -9.376 5.901 -0.692 184 HG LEU 26 HG LEU 26 -8.895 6.704 1.627 185 HD11 LEU 26 HD11 LEU 26 -10.300 5.207 2.883 186 HD12 LEU 26 HD12 LEU 26 -8.606 4.951 3.326 187 HD13 LEU 26 HD13 LEU 26 -9.414 3.808 2.255 188 HD21 LEU 26 HD21 LEU 26 -7.155 5.962 0.141 189 HD22 LEU 26 HD22 LEU 26 -7.466 4.281 0.568 190 HD23 LEU 26 HD23 LEU 26 -6.809 5.389 1.773 191 H SER 27 HN SER 27 -9.349 7.799 -0.242 192 HA SER 27 HA SER 27 -8.634 9.835 -0.034 193 HB2 SER 27 HB2 SER 27 -10.259 11.758 -0.053 194 HB3 SER 27 HB1 SER 27 -10.465 10.580 -1.340 195 HG SER 27 HG SER 27 -12.233 9.785 -0.368 196 H GLY 28 HN GLY 28 -7.518 10.847 1.334 197 HA2 GLY 28 HA2 GLY 28 -7.106 12.085 3.275 198 HA3 GLY 28 HA1 GLY 28 -8.652 11.550 3.917 199 H ASP 29 HN ASP 29 -8.337 10.481 5.689 200 HA ASP 29 HA ASP 29 -5.843 9.117 6.116 201 HB2 ASP 29 HB2 ASP 29 -6.770 10.490 7.920 202 HB3 ASP 29 HB1 ASP 29 -8.188 9.444 7.992 203 H PHE 30 HN PHE 30 -5.617 7.039 6.683 204 HA PHE 30 HA PHE 30 -7.617 5.000 6.190 205 HB2 PHE 30 HB2 PHE 30 -6.789 4.185 3.979 206 HB3 PHE 30 HB1 PHE 30 -7.158 5.882 3.894 207 HD1 PHE 30 HD2 PHE 30 -5.245 7.565 4.213 208 HD2 PHE 30 HD1 PHE 30 -4.632 3.469 3.291 209 HE1 PHE 30 HE2 PHE 30 -3.029 8.092 3.302 210 HE2 PHE 30 HE1 PHE 30 -2.433 3.988 2.377 211 HZ PHE 30 HZ PHE 30 -1.530 6.292 2.605 212 H LEU 31 HN LEU 31 -4.372 6.049 6.525 213 HA LEU 31 HA LEU 31 -2.747 3.911 6.400 214 HB2 LEU 31 HB2 LEU 31 -2.171 6.245 6.441 215 HB3 LEU 31 HB1 LEU 31 -2.480 6.319 8.173 216 HG LEU 31 HG LEU 31 -0.613 4.606 8.402 217 HD11 LEU 31 HD11 LEU 31 0.960 4.477 6.536 218 HD12 LEU 31 HD12 LEU 31 -0.143 5.429 5.544 219 HD13 LEU 31 HD13 LEU 31 -0.619 3.824 6.102 220 HD21 LEU 31 HD21 LEU 31 1.129 6.299 8.183 221 HD22 LEU 31 HD22 LEU 31 -0.326 6.965 8.928 222 HD23 LEU 31 HD23 LEU 31 0.036 7.304 7.235 223 H ASP 32 HN ASP 32 -4.740 4.734 9.203 224 HA ASP 32 HA ASP 32 -3.253 2.809 10.842 225 HB2 ASP 32 HB2 ASP 32 -3.559 4.980 11.850 226 HB3 ASP 32 HB1 ASP 32 -5.290 4.921 11.558 227 H LEU 33 HN LEU 33 -6.117 3.112 9.058 228 HA LEU 33 HA LEU 33 -7.626 1.236 10.656 229 HB2 LEU 33 HB2 LEU 33 -8.236 2.544 8.008 230 HB3 LEU 33 HB1 LEU 33 -9.327 1.469 8.854 231 HG LEU 33 HG LEU 33 -8.372 4.144 9.882 232 HD11 LEU 33 HD11 LEU 33 -11.036 3.303 8.754 233 HD12 LEU 33 HD12 LEU 33 -9.869 4.372 7.977 234 HD13 LEU 33 HD13 LEU 33 -10.668 4.875 9.466 235 HD21 LEU 33 HD21 LEU 33 -8.848 2.559 11.680 236 HD22 LEU 33 HD22 LEU 33 -10.429 2.222 10.971 237 HD23 LEU 33 HD23 LEU 33 -10.073 3.827 11.613 238 H ARG 34 HN ARG 34 -8.252 -0.776 9.957 239 HA ARG 34 HA ARG 34 -6.311 -2.241 8.446 240 HB2 ARG 34 HB2 ARG 34 -8.119 -2.854 10.396 241 HB3 ARG 34 HB1 ARG 34 -8.983 -3.414 8.975 242 HG2 ARG 34 HG2 ARG 34 -6.221 -4.306 9.786 243 HG3 ARG 34 HG1 ARG 34 -7.704 -5.168 10.145 244 HD2 ARG 34 HD2 ARG 34 -8.084 -5.514 7.758 245 HD3 ARG 34 HD1 ARG 34 -6.620 -4.594 7.383 246 HE ARG 34 HE ARG 34 -5.924 -6.555 9.181 247 HH11 ARG 34 HH11 ARG 34 -7.192 -6.700 5.757 248 HH12 ARG 34 HH12 ARG 34 -6.214 -8.019 5.417 249 HH21 ARG 34 HH21 ARG 34 -4.757 -8.361 8.613 250 HH22 ARG 34 HH22 ARG 34 -4.856 -9.056 7.053 251 H PHE 35 HN PHE 35 -6.504 -2.929 6.328 252 HA PHE 35 HA PHE 35 -7.846 -1.488 4.439 253 HB2 PHE 35 HB2 PHE 35 -6.941 -4.355 4.265 254 HB3 PHE 35 HB1 PHE 35 -7.545 -3.452 2.883 255 HD1 PHE 35 HD2 PHE 35 -6.283 -1.543 2.010 256 HD2 PHE 35 HD1 PHE 35 -4.752 -3.999 5.128 257 HE1 PHE 35 HE2 PHE 35 -4.024 -0.675 1.579 258 HE2 PHE 35 HE1 PHE 35 -2.497 -3.138 4.701 259 HZ PHE 35 HZ PHE 35 -2.127 -1.476 2.922 260 H GLU 36 HN GLU 36 -9.070 -4.344 6.066 261 HA GLU 36 HA GLU 36 -11.327 -4.956 4.596 262 HB2 GLU 36 HB2 GLU 36 -11.347 -5.005 7.602 263 HB3 GLU 36 HB1 GLU 36 -12.132 -6.106 6.487 264 HG2 GLU 36 HG2 GLU 36 -9.221 -5.933 7.183 265 HG3 GLU 36 HG1 GLU 36 -10.335 -7.255 7.501 266 H ASP 37 HN ASP 37 -10.833 -2.472 7.019 267 HA ASP 37 HA ASP 37 -13.644 -1.779 7.181 268 HB2 ASP 37 HB2 ASP 37 -12.221 -1.836 9.197 269 HB3 ASP 37 HB1 ASP 37 -11.213 -0.571 8.521 270 H ILE 38 HN ILE 38 -10.932 -0.897 5.360 271 HA ILE 38 HA ILE 38 -12.236 1.601 4.644 272 HB ILE 38 HB ILE 38 -10.185 2.212 3.345 273 HG12 ILE 38 HG12 ILE 38 -8.956 -0.223 4.683 274 HG13 ILE 38 HG11 ILE 38 -9.268 -0.103 2.964 275 HG21 ILE 38 HG21 ILE 38 -10.519 3.081 5.565 276 HG22 ILE 38 HG22 ILE 38 -8.804 2.755 5.300 277 HG23 ILE 38 HG23 ILE 38 -9.772 1.647 6.272 278 HD11 ILE 38 HD11 ILE 38 -7.648 1.757 2.835 279 HD12 ILE 38 HD12 ILE 38 -6.942 0.250 3.403 280 HD13 ILE 38 HD13 ILE 38 -7.302 1.543 4.555 281 H GLY 39 HN GLY 39 -12.712 -1.332 3.838 282 HA2 GLY 39 HA2 GLY 39 -13.882 -2.269 2.106 283 HA3 GLY 39 HA1 GLY 39 -13.931 -0.683 1.361 284 H TYR 40 HN TYR 40 -10.903 -2.323 2.136 285 HA TYR 40 HA TYR 40 -10.384 -2.391 -0.722 286 HB2 TYR 40 HB2 TYR 40 -8.594 -2.187 1.667 287 HB3 TYR 40 HB1 TYR 40 -7.972 -2.803 0.179 288 HD1 TYR 40 HD2 TYR 40 -10.105 0.035 1.261 289 HD2 TYR 40 HD1 TYR 40 -6.931 -1.322 -1.185 290 HE1 TYR 40 HE2 TYR 40 -9.796 2.302 0.444 291 HE2 TYR 40 HE1 TYR 40 -6.598 0.931 -2.024 292 HH TYR 40 HH TYR 40 -8.043 3.625 -0.520 293 H ASP 41 HN ASP 41 -10.620 -4.211 -1.735 294 HA ASP 41 HA ASP 41 -10.358 -6.738 -0.317 295 HB2 ASP 41 HB2 ASP 41 -11.306 -7.781 -2.228 296 HB3 ASP 41 HB1 ASP 41 -12.158 -6.249 -2.142 297 H SER 42 HN SER 42 -9.079 -8.433 -1.741 298 HA SER 42 HA SER 42 -6.424 -7.905 -1.626 299 HB2 SER 42 HB2 SER 42 -6.280 -9.909 -3.181 300 HB3 SER 42 HB1 SER 42 -7.182 -10.126 -1.673 301 H LEU 43 HN LEU 43 -8.548 -7.554 -4.479 302 HA LEU 43 HA LEU 43 -6.472 -7.023 -6.339 303 HB2 LEU 43 HB2 LEU 43 -8.763 -7.768 -6.987 304 HB3 LEU 43 HB1 LEU 43 -9.400 -6.232 -6.469 305 HG LEU 43 HG LEU 43 -9.264 -6.529 -8.944 306 HD11 LEU 43 HD11 LEU 43 -9.349 -4.266 -8.081 307 HD12 LEU 43 HD12 LEU 43 -8.333 -4.350 -9.519 308 HD13 LEU 43 HD13 LEU 43 -7.591 -4.240 -7.928 309 HD21 LEU 43 HD21 LEU 43 -6.289 -6.435 -8.503 310 HD22 LEU 43 HD22 LEU 43 -7.096 -6.356 -10.068 311 HD23 LEU 43 HD23 LEU 43 -7.221 -7.814 -9.083 312 H ALA 44 HN ALA 44 -8.634 -4.880 -4.525 313 HA ALA 44 HA ALA 44 -7.628 -2.477 -5.575 314 HB1 ALA 44 HB1 ALA 44 -8.825 -2.949 -2.842 315 HB2 ALA 44 HB2 ALA 44 -9.732 -2.608 -4.316 316 HB3 ALA 44 HB3 ALA 44 -8.648 -1.387 -3.643 317 H LEU 45 HN LEU 45 -6.700 -4.315 -2.731 318 HA LEU 45 HA LEU 45 -4.797 -2.489 -1.754 319 HB2 LEU 45 HB2 LEU 45 -5.913 -4.397 -0.537 320 HB3 LEU 45 HB1 LEU 45 -4.850 -5.485 -1.389 321 HG LEU 45 HG LEU 45 -3.898 -3.352 0.542 322 HD11 LEU 45 HD11 LEU 45 -3.571 -5.178 2.072 323 HD12 LEU 45 HD12 LEU 45 -4.371 -6.285 0.931 324 HD13 LEU 45 HD13 LEU 45 -5.274 -4.941 1.664 325 HD21 LEU 45 HD21 LEU 45 -2.523 -5.769 -0.619 326 HD22 LEU 45 HD22 LEU 45 -1.834 -4.651 0.576 327 HD23 LEU 45 HD23 LEU 45 -2.206 -4.093 -1.065 328 H MET 46 HN MET 46 -4.428 -5.366 -3.830 329 HA MET 46 HA MET 46 -1.603 -5.110 -3.998 330 HB2 MET 46 HB2 MET 46 -1.654 -6.837 -5.693 331 HB3 MET 46 HB1 MET 46 -2.693 -7.267 -4.345 332 HG2 MET 46 HG2 MET 46 -4.017 -7.858 -6.110 333 HG3 MET 46 HG1 MET 46 -4.492 -6.175 -5.754 334 HE1 MET 46 HE1 MET 46 -1.673 -7.200 -9.270 335 HE2 MET 46 HE2 MET 46 -2.275 -8.417 -8.142 336 HE3 MET 46 HE3 MET 46 -1.171 -7.162 -7.580 337 H GLU 47 HN GLU 47 -4.220 -3.784 -5.904 338 HA GLU 47 HA GLU 47 -2.699 -3.103 -8.155 339 HB2 GLU 47 HB2 GLU 47 -5.188 -3.003 -8.046 340 HB3 GLU 47 HB1 GLU 47 -5.054 -1.600 -6.993 341 HG2 GLU 47 HG2 GLU 47 -3.854 -0.426 -8.792 342 HG3 GLU 47 HG1 GLU 47 -4.159 -1.798 -9.857 343 H THR 48 HN THR 48 -3.348 -1.481 -5.135 344 HA THR 48 HA THR 48 -1.862 0.855 -5.517 345 HB THR 48 HB THR 48 -2.475 -0.782 -3.050 346 HG1 THR 48 HG1 THR 48 -4.064 0.620 -4.599 347 HG21 THR 48 HG21 THR 48 -2.027 1.267 -1.775 348 HG22 THR 48 HG22 THR 48 -1.519 2.073 -3.259 349 HG23 THR 48 HG23 THR 48 -0.586 0.713 -2.631 350 H ALA 49 HN ALA 49 -0.987 -2.174 -3.814 351 HA ALA 49 HA ALA 49 1.637 -1.526 -3.194 352 HB1 ALA 49 HB1 ALA 49 0.436 -3.392 -2.164 353 HB2 ALA 49 HB2 ALA 49 2.018 -3.861 -2.821 354 HB3 ALA 49 HB3 ALA 49 0.552 -4.272 -3.699 355 H ALA 50 HN ALA 50 0.528 -3.567 -5.903 356 HA ALA 50 HA ALA 50 3.039 -4.147 -6.941 357 HB1 ALA 50 HB1 ALA 50 1.892 -4.787 -8.983 358 HB2 ALA 50 HB2 ALA 50 0.446 -3.921 -8.463 359 HB3 ALA 50 HB3 ALA 50 0.994 -5.340 -7.570 360 H ARG 51 HN ARG 51 0.913 -1.424 -7.574 361 HA ARG 51 HA ARG 51 2.345 -0.376 -9.773 362 HB2 ARG 51 HB2 ARG 51 -0.003 0.263 -9.137 363 HB3 ARG 51 HB1 ARG 51 0.661 1.128 -7.763 364 HG2 ARG 51 HG2 ARG 51 1.900 2.591 -9.271 365 HG3 ARG 51 HG1 ARG 51 1.211 1.734 -10.651 366 HD2 ARG 51 HD2 ARG 51 -1.012 2.409 -9.978 367 HD3 ARG 51 HD1 ARG 51 -0.359 3.209 -8.551 368 HE ARG 51 HE ARG 51 0.948 4.304 -10.730 369 HH11 ARG 51 HH11 ARG 51 -2.347 4.110 -9.588 370 HH12 ARG 51 HH12 ARG 51 -2.870 5.559 -10.311 371 HH21 ARG 51 HH21 ARG 51 0.325 6.333 -11.668 372 HH22 ARG 51 HH22 ARG 51 -1.256 6.919 -11.477 373 H LEU 52 HN LEU 52 2.475 0.201 -6.299 374 HA LEU 52 HA LEU 52 4.554 2.120 -6.427 375 HB2 LEU 52 HB2 LEU 52 3.646 0.371 -4.145 376 HB3 LEU 52 HB1 LEU 52 4.815 1.670 -3.992 377 HG LEU 52 HG LEU 52 1.924 1.994 -4.802 378 HD11 LEU 52 HD11 LEU 52 1.673 3.104 -2.649 379 HD12 LEU 52 HD12 LEU 52 3.350 2.724 -2.256 380 HD13 LEU 52 HD13 LEU 52 2.174 1.425 -2.457 381 HD21 LEU 52 HD21 LEU 52 2.360 4.398 -4.619 382 HD22 LEU 52 HD22 LEU 52 3.352 3.654 -5.873 383 HD23 LEU 52 HD23 LEU 52 4.065 4.066 -4.316 384 H GLU 53 HN GLU 53 4.529 -1.371 -5.861 385 HA GLU 53 HA GLU 53 7.213 -1.794 -5.326 386 HB2 GLU 53 HB2 GLU 53 5.319 -3.568 -6.860 387 HB3 GLU 53 HB1 GLU 53 6.900 -4.070 -6.299 388 HG2 GLU 53 HG2 GLU 53 6.146 -3.720 -3.976 389 HG3 GLU 53 HG1 GLU 53 4.561 -3.271 -4.601 390 H SER 54 HN SER 54 5.572 -2.035 -8.436 391 HA SER 54 HA SER 54 7.847 -2.580 -9.976 392 HB2 SER 54 HB2 SER 54 5.272 -1.275 -10.856 393 HB3 SER 54 HB1 SER 54 6.432 -2.106 -11.896 394 HG SER 54 HG SER 54 4.389 -3.163 -10.741 395 H ARG 55 HN ARG 55 6.386 0.478 -9.051 396 HA ARG 55 HA ARG 55 7.701 2.131 -10.929 397 HB2 ARG 55 HB2 ARG 55 5.662 2.719 -9.627 398 HB3 ARG 55 HB1 ARG 55 6.695 2.947 -8.222 399 HG2 ARG 55 HG2 ARG 55 7.923 4.697 -9.427 400 HG3 ARG 55 HG1 ARG 55 6.835 4.484 -10.804 401 HD2 ARG 55 HD2 ARG 55 4.956 4.916 -9.144 402 HD3 ARG 55 HD1 ARG 55 6.216 5.499 -8.058 403 HE ARG 55 HE ARG 55 6.780 6.982 -10.048 404 HH11 ARG 55 HH11 ARG 55 3.501 5.954 -9.102 405 HH12 ARG 55 HH12 ARG 55 2.706 7.344 -9.647 406 HH21 ARG 55 HH21 ARG 55 5.702 8.865 -10.953 407 HH22 ARG 55 HH22 ARG 55 3.998 9.023 -10.825 408 H TYR 56 HN TYR 56 8.532 1.221 -7.611 409 HA TYR 56 HA TYR 56 10.909 2.926 -7.835 410 HB2 TYR 56 HB2 TYR 56 9.854 1.575 -5.352 411 HB3 TYR 56 HB1 TYR 56 11.092 2.821 -5.438 412 HD1 TYR 56 HD2 TYR 56 10.287 5.090 -6.616 413 HD2 TYR 56 HD1 TYR 56 7.712 2.226 -4.831 414 HE1 TYR 56 HE2 TYR 56 8.529 6.802 -6.400 415 HE2 TYR 56 HE1 TYR 56 5.960 3.916 -4.618 416 HH TYR 56 HH TYR 56 5.837 6.343 -4.445 417 H GLY 57 HN GLY 57 10.121 -0.141 -8.468 418 HA2 GLY 57 HA2 GLY 57 11.442 -1.939 -9.000 419 HA3 GLY 57 HA1 GLY 57 12.844 -0.963 -8.577 420 H VAL 58 HN VAL 58 10.064 -2.033 -6.676 421 HA VAL 58 HA VAL 58 11.953 -3.471 -4.981 422 HB VAL 58 HB VAL 58 10.762 -2.791 -2.938 423 HG11 VAL 58 HG11 VAL 58 11.691 -0.441 -4.577 424 HG12 VAL 58 HG12 VAL 58 12.699 -1.500 -3.591 425 HG13 VAL 58 HG13 VAL 58 11.502 -0.458 -2.823 426 HG21 VAL 58 HG21 VAL 58 9.137 -0.944 -2.976 427 HG22 VAL 58 HG22 VAL 58 8.554 -2.363 -3.844 428 HG23 VAL 58 HG23 VAL 58 9.168 -0.968 -4.742 429 H SER 59 HN SER 59 10.646 -4.992 -3.409 430 HA SER 59 HA SER 59 8.200 -5.921 -4.679 431 HB2 SER 59 HB2 SER 59 10.604 -7.693 -4.219 432 HB3 SER 59 HB1 SER 59 9.017 -8.234 -4.762 433 HG SER 59 HG SER 59 10.216 -6.168 -6.166 434 H ILE 60 HN ILE 60 6.760 -6.552 -3.290 435 HA ILE 60 HA ILE 60 7.451 -7.016 -0.453 436 HB ILE 60 HB ILE 60 4.746 -6.545 -1.769 437 HG12 ILE 60 HG12 ILE 60 6.329 -4.622 -0.066 438 HG13 ILE 60 HG11 ILE 60 6.225 -4.534 -1.826 439 HG21 ILE 60 HG21 ILE 60 3.888 -6.229 0.511 440 HG22 ILE 60 HG22 ILE 60 5.477 -6.635 1.161 441 HG23 ILE 60 HG23 ILE 60 4.551 -7.848 0.277 442 HD11 ILE 60 HD11 ILE 60 3.807 -4.206 -1.644 443 HD12 ILE 60 HD12 ILE 60 4.707 -2.963 -0.773 444 HD13 ILE 60 HD13 ILE 60 3.934 -4.276 0.114 445 HA PRO 61 HA PRO 61 6.690 -11.439 -1.253 446 HB2 PRO 61 HB2 PRO 61 5.652 -11.269 1.557 447 HB3 PRO 61 HB1 PRO 61 6.770 -12.440 0.838 448 HG2 PRO 61 HG2 PRO 61 7.702 -10.523 2.411 449 HG3 PRO 61 HG1 PRO 61 8.578 -10.980 0.938 450 HD2 PRO 61 HD2 PRO 61 6.868 -8.586 1.459 451 HD3 PRO 61 HD1 PRO 61 8.359 -8.723 0.501 452 H ASP 62 HN ASP 62 4.924 -12.241 -2.213 453 HA ASP 62 HA ASP 62 2.384 -11.063 -2.416 454 HB2 ASP 62 HB2 ASP 62 2.990 -14.024 -2.653 455 HB3 ASP 62 HB1 ASP 62 1.529 -13.240 -3.214 456 H ASP 63 HN ASP 63 3.640 -13.441 -0.240 457 HA ASP 63 HA ASP 63 1.224 -14.253 0.998 458 HB2 ASP 63 HB2 ASP 63 3.295 -15.578 0.995 459 HB3 ASP 63 HB1 ASP 63 4.088 -14.344 1.963 460 H VAL 64 HN VAL 64 3.572 -11.757 1.609 461 HA VAL 64 HA VAL 64 2.409 -11.014 4.133 462 HB VAL 64 HB VAL 64 4.601 -9.651 2.521 463 HG11 VAL 64 HG11 VAL 64 5.079 -8.356 4.550 464 HG12 VAL 64 HG12 VAL 64 3.676 -9.076 5.345 465 HG13 VAL 64 HG13 VAL 64 3.456 -8.019 3.950 466 HG21 VAL 64 HG21 VAL 64 5.229 -11.835 3.378 467 HG22 VAL 64 HG22 VAL 64 4.715 -11.368 4.998 468 HG23 VAL 64 HG23 VAL 64 6.088 -10.562 4.239 469 H ALA 65 HN ALA 65 2.254 -9.855 0.799 470 HA ALA 65 HA ALA 65 0.901 -7.432 1.339 471 HB1 ALA 65 HB1 ALA 65 0.653 -9.134 -1.154 472 HB2 ALA 65 HB2 ALA 65 1.864 -7.874 -0.882 473 HB3 ALA 65 HB3 ALA 65 0.155 -7.456 -0.996 474 H GLY 66 HN GLY 66 -0.241 -10.707 1.157 475 HA2 GLY 66 HA2 GLY 66 -3.010 -9.820 1.439 476 HA3 GLY 66 HA1 GLY 66 -2.463 -11.481 1.231 477 H ARG 67 HN ARG 67 -0.595 -9.818 3.464 478 HA ARG 67 HA ARG 67 -2.099 -10.989 5.712 479 HB2 ARG 67 HB2 ARG 67 -0.062 -12.249 5.036 480 HB3 ARG 67 HB1 ARG 67 0.943 -10.872 5.412 481 HG2 ARG 67 HG2 ARG 67 -0.147 -11.071 7.774 482 HG3 ARG 67 HG1 ARG 67 -0.620 -12.683 7.233 483 HD2 ARG 67 HD2 ARG 67 1.435 -12.916 8.386 484 HD3 ARG 67 HD1 ARG 67 1.792 -13.081 6.667 485 HE ARG 67 HE ARG 67 2.066 -10.399 7.678 486 HH11 ARG 67 HH11 ARG 67 3.775 -13.448 7.078 487 HH12 ARG 67 HH12 ARG 67 5.324 -12.769 7.210 488 HH21 ARG 67 HH21 ARG 67 4.118 -9.475 7.862 489 HH22 ARG 67 HH22 ARG 67 5.548 -10.415 7.653 490 H VAL 68 HN VAL 68 -1.332 -8.159 4.347 491 HA VAL 68 HA VAL 68 -0.163 -6.845 6.615 492 HB VAL 68 HB VAL 68 -0.439 -4.706 5.267 493 HG11 VAL 68 HG11 VAL 68 1.082 -6.959 3.997 494 HG12 VAL 68 HG12 VAL 68 1.648 -5.919 5.304 495 HG13 VAL 68 HG13 VAL 68 1.345 -5.240 3.704 496 HG21 VAL 68 HG21 VAL 68 -0.932 -4.933 2.882 497 HG22 VAL 68 HG22 VAL 68 -2.312 -5.409 3.869 498 HG23 VAL 68 HG23 VAL 68 -1.296 -6.643 3.120 499 H ASP 69 HN ASP 69 -0.994 -5.600 8.004 500 HA ASP 69 HA ASP 69 -3.857 -5.802 8.492 501 HB2 ASP 69 HB2 ASP 69 -2.311 -6.241 10.326 502 HB3 ASP 69 HB1 ASP 69 -1.582 -4.661 10.128 503 H THR 70 HN THR 70 -1.561 -3.098 8.714 504 HA THR 70 HA THR 70 -3.744 -1.317 7.933 505 HB THR 70 HB THR 70 -2.223 0.447 8.849 506 HG1 THR 70 HG1 THR 70 -0.826 -1.462 10.308 507 HG21 THR 70 HG21 THR 70 -3.022 -1.755 10.740 508 HG22 THR 70 HG22 THR 70 -4.068 -0.450 10.181 509 HG23 THR 70 HG23 THR 70 -2.674 -0.091 11.209 510 HA PRO 71 HA PRO 71 -1.502 -0.171 4.215 511 HB2 PRO 71 HB2 PRO 71 -2.040 2.617 5.137 512 HB3 PRO 71 HB1 PRO 71 -2.351 1.882 3.556 513 HG2 PRO 71 HG2 PRO 71 -4.359 2.323 5.216 514 HG3 PRO 71 HG1 PRO 71 -4.280 0.809 4.293 515 HD2 PRO 71 HD2 PRO 71 -3.609 1.317 7.161 516 HD3 PRO 71 HD1 PRO 71 -4.452 -0.066 6.427 517 H ARG 72 HN ARG 72 -1.020 1.435 7.319 518 HA ARG 72 HA ARG 72 1.523 2.514 7.038 519 HB2 ARG 72 HB2 ARG 72 0.120 2.782 9.050 520 HB3 ARG 72 HB1 ARG 72 0.390 1.099 9.463 521 HG2 ARG 72 HG2 ARG 72 2.852 1.643 9.573 522 HG3 ARG 72 HG1 ARG 72 2.391 3.344 9.444 523 HD2 ARG 72 HD2 ARG 72 1.550 1.398 11.580 524 HD3 ARG 72 HD1 ARG 72 2.707 2.709 11.764 525 HE ARG 72 HE ARG 72 0.806 4.239 11.277 526 HH11 ARG 72 HH11 ARG 72 0.163 1.012 12.652 527 HH12 ARG 72 HH12 ARG 72 -1.246 1.493 13.462 528 HH21 ARG 72 HH21 ARG 72 -1.187 4.864 12.377 529 HH22 ARG 72 HH22 ARG 72 -2.067 3.677 13.224 530 H GLU 73 HN GLU 73 0.601 -0.772 8.028 531 HA GLU 73 HA GLU 73 3.217 -1.768 8.273 532 HB2 GLU 73 HB2 GLU 73 1.338 -2.867 9.330 533 HB3 GLU 73 HB1 GLU 73 0.599 -3.186 7.772 534 HG2 GLU 73 HG2 GLU 73 2.303 -4.746 7.204 535 HG3 GLU 73 HG1 GLU 73 3.248 -4.304 8.627 536 H LEU 74 HN LEU 74 0.972 -1.725 5.594 537 HA LEU 74 HA LEU 74 2.534 -3.251 3.786 538 HB2 LEU 74 HB2 LEU 74 0.058 -2.732 3.614 539 HB3 LEU 74 HB1 LEU 74 0.470 -1.093 3.197 540 HG LEU 74 HG LEU 74 -0.305 -2.583 1.320 541 HD11 LEU 74 HD11 LEU 74 0.887 -0.523 0.824 542 HD12 LEU 74 HD12 LEU 74 1.336 -1.787 -0.322 543 HD13 LEU 74 HD13 LEU 74 2.434 -1.355 0.990 544 HD21 LEU 74 HD21 LEU 74 2.403 -3.850 1.689 545 HD22 LEU 74 HD22 LEU 74 1.322 -4.123 0.322 546 HD23 LEU 74 HD23 LEU 74 0.837 -4.619 1.945 547 H LEU 75 HN LEU 75 2.263 0.211 4.400 548 HA LEU 75 HA LEU 75 4.103 1.213 2.568 549 HB2 LEU 75 HB2 LEU 75 2.545 2.571 3.906 550 HB3 LEU 75 HB1 LEU 75 3.470 2.209 5.345 551 HG LEU 75 HG LEU 75 5.403 3.416 4.380 552 HD11 LEU 75 HD11 LEU 75 4.902 3.106 2.029 553 HD12 LEU 75 HD12 LEU 75 5.062 4.820 2.409 554 HD13 LEU 75 HD13 LEU 75 3.462 4.110 2.190 555 HD21 LEU 75 HD21 LEU 75 4.468 5.666 4.640 556 HD22 LEU 75 HD22 LEU 75 3.862 4.567 5.877 557 HD23 LEU 75 HD23 LEU 75 2.838 5.005 4.508 558 H ASP 76 HN ASP 76 4.558 0.079 5.880 559 HA ASP 76 HA ASP 76 7.281 0.641 6.174 560 HB2 ASP 76 HB2 ASP 76 5.869 0.056 8.079 561 HB3 ASP 76 HB1 ASP 76 5.651 -1.568 7.445 562 H LEU 77 HN LEU 77 5.689 -2.243 4.834 563 HA LEU 77 HA LEU 77 8.006 -3.740 4.448 564 HB2 LEU 77 HB2 LEU 77 5.230 -3.776 3.500 565 HB3 LEU 77 HB1 LEU 77 6.375 -4.535 2.428 566 HG LEU 77 HG LEU 77 5.330 -6.188 3.845 567 HD11 LEU 77 HD11 LEU 77 7.296 -7.238 4.851 568 HD12 LEU 77 HD12 LEU 77 8.186 -5.727 4.653 569 HD13 LEU 77 HD13 LEU 77 7.620 -6.608 3.235 570 HD21 LEU 77 HD21 LEU 77 5.622 -6.201 6.284 571 HD22 LEU 77 HD22 LEU 77 4.716 -4.786 5.745 572 HD23 LEU 77 HD23 LEU 77 6.416 -4.630 6.190 573 H ILE 78 HN ILE 78 6.418 -1.283 2.511 574 HA ILE 78 HA ILE 78 8.155 -1.633 0.267 575 HB ILE 78 HB ILE 78 6.399 0.764 0.936 576 HG12 ILE 78 HG12 ILE 78 5.924 -1.626 -0.855 577 HG13 ILE 78 HG11 ILE 78 5.103 -1.276 0.657 578 HG21 ILE 78 HG21 ILE 78 7.745 -0.011 -1.667 579 HG22 ILE 78 HG22 ILE 78 8.205 1.338 -0.626 580 HG23 ILE 78 HG23 ILE 78 6.644 1.350 -1.445 581 HD11 ILE 78 HD11 ILE 78 4.096 0.713 -0.374 582 HD12 ILE 78 HD12 ILE 78 3.702 -0.773 -1.236 583 HD13 ILE 78 HD13 ILE 78 4.913 0.319 -1.892 584 H ASN 79 HN ASN 79 8.071 0.481 3.073 585 HA ASN 79 HA ASN 79 10.241 2.127 2.299 586 HB2 ASN 79 HB2 ASN 79 9.046 1.509 4.985 587 HB3 ASN 79 HB1 ASN 79 10.549 2.408 4.891 588 HD21 ASN 79 HD21 ASN 79 7.863 2.692 2.613 589 HD22 ASN 79 HD22 ASN 79 7.459 4.318 3.067 590 H GLY 80 HN GLY 80 10.127 -0.867 4.152 591 HA2 GLY 80 HA2 GLY 80 12.904 -1.064 4.584 592 HA3 GLY 80 HA1 GLY 80 11.760 -2.403 4.600 593 H ALA 81 HN ALA 81 10.857 -1.979 1.905 594 HA ALA 81 HA ALA 81 12.859 -3.448 0.510 595 HB1 ALA 81 HB1 ALA 81 10.307 -2.231 -0.552 596 HB2 ALA 81 HB2 ALA 81 10.442 -3.822 0.194 597 HB3 ALA 81 HB3 ALA 81 11.278 -3.490 -1.323 598 H LEU 82 HN LEU 82 11.911 -0.129 0.681 599 HA LEU 82 HA LEU 82 13.188 0.784 -1.662 600 HB2 LEU 82 HB2 LEU 82 12.393 2.240 0.848 601 HB3 LEU 82 HB1 LEU 82 13.087 3.044 -0.546 602 HG LEU 82 HG LEU 82 10.484 1.512 -0.544 603 HD11 LEU 82 HD11 LEU 82 10.338 3.550 0.778 604 HD12 LEU 82 HD12 LEU 82 9.433 3.703 -0.728 605 HD13 LEU 82 HD13 LEU 82 11.010 4.478 -0.563 606 HD21 LEU 82 HD21 LEU 82 11.762 3.255 -2.648 607 HD22 LEU 82 HD22 LEU 82 10.165 2.515 -2.750 608 HD23 LEU 82 HD23 LEU 82 11.606 1.500 -2.713 609 H ALA 83 HN ALA 83 14.483 -0.332 1.230 610 HA ALA 83 HA ALA 83 16.841 1.193 1.378 611 HB1 ALA 83 HB1 ALA 83 16.415 -1.680 2.207 612 HB2 ALA 83 HB2 ALA 83 16.096 -0.263 3.209 613 HB3 ALA 83 HB3 ALA 83 17.747 -0.641 2.711 614 H GLU 84 HN GLU 84 15.929 -1.597 -0.541 615 HA GLU 84 HA GLU 84 18.590 -1.701 -1.704 616 HB2 GLU 84 HB2 GLU 84 17.768 -3.717 -2.938 617 HB3 GLU 84 HB1 GLU 84 17.605 -3.875 -1.198 618 HG2 GLU 84 HG2 GLU 84 15.180 -3.134 -1.541 619 HG3 GLU 84 HG1 GLU 84 15.467 -3.427 -3.248 620 H ALA 85 HN ALA 85 15.267 -1.354 -2.841 621 HA ALA 85 HA ALA 85 14.319 -0.478 -4.690 622 HB1 ALA 85 HB1 ALA 85 16.100 1.848 -4.031 623 HB2 ALA 85 HB2 ALA 85 14.617 1.426 -3.177 624 HB3 ALA 85 HB3 ALA 85 14.554 1.897 -4.876 625 H ALA 86 HN ALA 86 14.825 -1.651 -6.415 626 HA ALA 86 HA ALA 86 15.655 -2.253 -8.398 627 HB1 ALA 86 HB1 ALA 86 14.601 -0.101 -8.953 628 HB2 ALA 86 HB2 ALA 86 15.957 -0.475 -10.015 629 HB3 ALA 86 HB3 ALA 86 16.153 0.705 -8.721 630 H281 PSR 87 H28A PSR 87 -7.916 -10.700 -6.656 631 H282 PSR 87 H28B PSR 87 -7.083 -9.610 -5.549 632 H301 PSR 87 H30A PSR 87 -4.520 -9.655 -7.970 633 H302 PSR 87 H30B PSR 87 -5.439 -8.758 -6.753 634 H303 PSR 87 H30C PSR 87 -6.249 -9.384 -8.187 635 H311 PSR 87 H31A PSR 87 -4.839 -11.984 -5.152 636 H312 PSR 87 H31B PSR 87 -4.512 -10.254 -5.081 637 H313 PSR 87 H31C PSR 87 -3.695 -11.255 -6.282 638 H321 PSR 87 H32A PSR 87 -4.893 -12.298 -8.138 639 H331 PSR 87 H33A PSR 87 -7.588 -11.796 -8.672 640 H361 PSR 87 H36A PSR 87 -5.112 -13.474 -5.833 641 H371 PSR 87 H37A PSR 87 -7.262 -15.446 -6.099 642 H372 PSR 87 H37B PSR 87 -5.636 -15.847 -5.504 643 H381 PSR 87 H38A PSR 87 -7.538 -13.911 -4.140 644 H382 PSR 87 H38B PSR 87 -7.558 -15.618 -3.850 645 H411 PSR 87 H41A PSR 87 -6.926 -13.293 -2.191 646 H421 PSR 87 H42A PSR 87 -5.736 -13.791 -0.080 647 H422 PSR 87 H42B PSR 87 -4.313 -14.115 -1.073 648 H431 PSR 87 H43A PSR 87 -4.236 -11.890 -0.020 649 H432 PSR 87 H43B PSR 87 -5.731 -11.451 -0.878 650 HC21 PSR 87 H2A PSR 87 -2.346 -8.338 -2.473 651 HC22 PSR 87 H2B PSR 87 -3.057 -9.237 -3.810 652 HC31 PSR 87 H3A PSR 87 -1.518 -11.107 -3.382 653 HC32 PSR 87 H3B PSR 87 -0.791 -10.191 -2.052 654 HC41 PSR 87 H4C PSR 87 -0.885 -9.354 -4.951 655 HC42 PSR 87 H4A PSR 87 0.527 -9.998 -4.110 656 HC43 PSR 87 H4B PSR 87 -0.150 -8.439 -3.636 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 19.549 7.508 3.447 2 H2 MET 1 HT2 MET 1 20.024 5.923 3.174 3 H3 MET 1 HT3 MET 1 20.373 6.649 4.645 4 HA MET 1 HA MET 1 18.579 5.067 4.734 5 HB2 MET 1 HB2 MET 1 16.838 6.600 5.826 6 HB3 MET 1 HB1 MET 1 18.456 6.605 6.491 7 HG2 MET 1 HG2 MET 1 17.644 8.836 6.477 8 HG3 MET 1 HG1 MET 1 18.897 8.708 5.257 9 HE1 MET 1 HE1 MET 1 15.045 9.003 5.951 10 HE2 MET 1 HE2 MET 1 15.138 7.507 5.023 11 HE3 MET 1 HE3 MET 1 14.378 8.933 4.320 12 H ALA 2 HN ALA 2 18.573 6.702 1.917 13 HA ALA 2 HA ALA 2 17.529 6.332 0.019 14 HB1 ALA 2 HB1 ALA 2 17.197 3.996 0.737 15 HB2 ALA 2 HB2 ALA 2 15.870 4.579 -0.266 16 HB3 ALA 2 HB3 ALA 2 15.664 4.454 1.480 17 H THR 3 HN THR 3 15.397 6.676 -1.129 18 HA THR 3 HA THR 3 14.103 8.985 0.046 19 HB THR 3 HB THR 3 13.501 7.526 -2.470 20 HG1 THR 3 HG1 THR 3 15.656 9.151 -1.772 21 HG21 THR 3 HG21 THR 3 13.118 10.423 -1.672 22 HG22 THR 3 HG22 THR 3 11.852 9.208 -1.825 23 HG23 THR 3 HG23 THR 3 12.722 9.757 -3.257 24 H LEU 4 HN LEU 4 12.634 8.405 1.565 25 HA LEU 4 HA LEU 4 11.158 5.927 1.205 26 HB2 LEU 4 HB2 LEU 4 11.271 7.776 3.580 27 HB3 LEU 4 HB1 LEU 4 10.372 6.275 3.520 28 HG LEU 4 HG LEU 4 13.370 6.588 3.415 29 HD11 LEU 4 HD11 LEU 4 11.548 5.327 5.444 30 HD12 LEU 4 HD12 LEU 4 12.421 6.851 5.633 31 HD13 LEU 4 HD13 LEU 4 13.309 5.326 5.499 32 HD21 LEU 4 HD21 LEU 4 11.703 4.085 3.228 33 HD22 LEU 4 HD22 LEU 4 13.460 4.139 3.378 34 HD23 LEU 4 HD23 LEU 4 12.675 4.786 1.935 35 H LEU 5 HN LEU 5 8.897 5.841 1.617 36 HA LEU 5 HA LEU 5 7.552 7.907 0.123 37 HB2 LEU 5 HB2 LEU 5 6.472 5.371 1.335 38 HB3 LEU 5 HB1 LEU 5 5.626 6.419 0.215 39 HG LEU 5 HG LEU 5 8.034 4.713 -0.357 40 HD11 LEU 5 HD11 LEU 5 5.203 4.610 -1.375 41 HD12 LEU 5 HD12 LEU 5 5.946 3.491 -0.228 42 HD13 LEU 5 HD13 LEU 5 6.527 3.565 -1.890 43 HD21 LEU 5 HD21 LEU 5 8.213 6.821 -1.540 44 HD22 LEU 5 HD22 LEU 5 6.564 6.637 -2.132 45 HD23 LEU 5 HD23 LEU 5 7.821 5.513 -2.662 46 H THR 6 HN THR 6 5.933 9.179 0.896 47 HA THR 6 HA THR 6 5.825 9.451 3.775 48 HB THR 6 HB THR 6 4.756 11.647 3.131 49 HG1 THR 6 HG1 THR 6 5.394 12.094 0.740 50 HG21 THR 6 HG21 THR 6 7.514 11.097 1.995 51 HG22 THR 6 HG22 THR 6 7.157 11.484 3.678 52 HG23 THR 6 HG23 THR 6 6.873 12.685 2.420 53 H THR 7 HN THR 7 3.489 10.303 4.426 54 HA THR 7 HA THR 7 1.562 8.367 3.997 55 HB THR 7 HB THR 7 0.983 11.277 4.575 56 HG1 THR 7 HG1 THR 7 1.205 9.978 6.848 57 HG21 THR 7 HG21 THR 7 -0.328 8.703 5.478 58 HG22 THR 7 HG22 THR 7 -0.962 9.810 4.260 59 HG23 THR 7 HG23 THR 7 -0.833 10.328 5.942 60 H ASP 8 HN ASP 8 2.017 11.544 2.479 61 HA ASP 8 HA ASP 8 -0.211 11.610 0.791 62 HB2 ASP 8 HB2 ASP 8 1.233 13.548 1.333 63 HB3 ASP 8 HB1 ASP 8 2.501 12.861 0.333 64 H ASP 9 HN ASP 9 3.095 10.465 0.121 65 HA ASP 9 HA ASP 9 2.651 9.963 -2.648 66 HB2 ASP 9 HB2 ASP 9 4.914 10.230 -1.428 67 HB3 ASP 9 HB1 ASP 9 4.728 8.533 -0.995 68 H LEU 10 HN LEU 10 2.480 7.991 0.221 69 HA LEU 10 HA LEU 10 1.858 5.527 -1.039 70 HB2 LEU 10 HB2 LEU 10 2.639 5.663 1.259 71 HB3 LEU 10 HB1 LEU 10 1.221 6.582 1.717 72 HG LEU 10 HG LEU 10 -0.135 4.548 1.052 73 HD11 LEU 10 HD11 LEU 10 1.503 3.404 -0.290 74 HD12 LEU 10 HD12 LEU 10 1.019 2.392 1.069 75 HD13 LEU 10 HD13 LEU 10 2.568 3.233 1.105 76 HD21 LEU 10 HD21 LEU 10 0.285 3.399 3.174 77 HD22 LEU 10 HD22 LEU 10 0.234 5.149 3.365 78 HD23 LEU 10 HD23 LEU 10 1.784 4.308 3.359 79 H ARG 11 HN ARG 11 -0.123 8.024 0.478 80 HA ARG 11 HA ARG 11 -2.650 6.959 0.459 81 HB2 ARG 11 HB2 ARG 11 -1.999 9.105 1.480 82 HB3 ARG 11 HB1 ARG 11 -1.955 9.833 -0.115 83 HG2 ARG 11 HG2 ARG 11 -4.405 9.182 -0.322 84 HG3 ARG 11 HG1 ARG 11 -4.329 8.814 1.407 85 HD2 ARG 11 HD2 ARG 11 -5.152 11.064 1.102 86 HD3 ARG 11 HD1 ARG 11 -3.542 11.115 1.834 87 HE ARG 11 HE ARG 11 -3.951 11.437 -1.051 88 HH11 ARG 11 HH11 ARG 11 -2.624 12.715 2.017 89 HH12 ARG 11 HH12 ARG 11 -1.778 13.972 1.250 90 HH21 ARG 11 HH21 ARG 11 -2.740 13.170 -2.049 91 HH22 ARG 11 HH22 ARG 11 -1.761 14.174 -1.082 92 H ARG 12 HN ARG 12 -1.134 8.821 -2.108 93 HA ARG 12 HA ARG 12 -3.338 9.014 -3.793 94 HB2 ARG 12 HB2 ARG 12 -1.812 9.592 -5.561 95 HB3 ARG 12 HB1 ARG 12 -1.282 10.339 -4.063 96 HG2 ARG 12 HG2 ARG 12 0.383 8.557 -3.801 97 HG3 ARG 12 HG1 ARG 12 -0.125 7.889 -5.352 98 HD2 ARG 12 HD2 ARG 12 1.822 9.194 -5.705 99 HD3 ARG 12 HD1 ARG 12 0.451 10.062 -6.389 100 HE ARG 12 HE ARG 12 0.565 11.152 -3.998 101 HH11 ARG 12 HH11 ARG 12 3.053 10.625 -6.460 102 HH12 ARG 12 HH12 ARG 12 4.161 11.719 -5.794 103 HH21 ARG 12 HH21 ARG 12 2.086 12.700 -3.072 104 HH22 ARG 12 HH22 ARG 12 3.562 12.962 -3.878 105 H ALA 13 HN ALA 13 -0.972 6.416 -3.497 106 HA ALA 13 HA ALA 13 -1.801 5.018 -5.825 107 HB1 ALA 13 HB1 ALA 13 -0.326 4.003 -3.389 108 HB2 ALA 13 HB2 ALA 13 0.421 4.679 -4.835 109 HB3 ALA 13 HB3 ALA 13 -0.471 3.160 -4.931 110 H LEU 14 HN LEU 14 -2.599 4.813 -2.409 111 HA LEU 14 HA LEU 14 -4.294 2.554 -2.504 112 HB2 LEU 14 HB2 LEU 14 -4.174 4.929 -0.645 113 HB3 LEU 14 HB1 LEU 14 -5.414 3.724 -0.476 114 HG LEU 14 HG LEU 14 -3.702 3.396 1.158 115 HD11 LEU 14 HD11 LEU 14 -3.562 1.249 -0.913 116 HD12 LEU 14 HD12 LEU 14 -4.757 1.416 0.373 117 HD13 LEU 14 HD13 LEU 14 -3.067 1.095 0.774 118 HD21 LEU 14 HD21 LEU 14 -1.769 3.120 -1.116 119 HD22 LEU 14 HD22 LEU 14 -1.418 2.789 0.581 120 HD23 LEU 14 HD23 LEU 14 -1.829 4.427 0.066 121 H VAL 15 HN VAL 15 -5.059 6.009 -2.523 122 HA VAL 15 HA VAL 15 -7.818 5.806 -2.710 123 HB VAL 15 HB VAL 15 -6.006 8.049 -3.679 124 HG11 VAL 15 HG11 VAL 15 -7.961 9.485 -3.557 125 HG12 VAL 15 HG12 VAL 15 -8.970 8.090 -3.174 126 HG13 VAL 15 HG13 VAL 15 -8.191 8.206 -4.751 127 HG21 VAL 15 HG21 VAL 15 -7.558 7.682 -1.123 128 HG22 VAL 15 HG22 VAL 15 -6.619 9.107 -1.571 129 HG23 VAL 15 HG23 VAL 15 -5.809 7.566 -1.307 130 H GLU 16 HN GLU 16 -5.445 5.886 -5.286 131 HA GLU 16 HA GLU 16 -7.404 6.055 -7.331 132 HB2 GLU 16 HB2 GLU 16 -4.465 5.553 -7.387 133 HB3 GLU 16 HB1 GLU 16 -5.410 5.611 -8.860 134 HG2 GLU 16 HG2 GLU 16 -6.158 7.885 -8.237 135 HG3 GLU 16 HG1 GLU 16 -5.125 7.797 -6.814 136 H SER 17 HN SER 17 -5.712 3.308 -5.851 137 HA SER 17 HA SER 17 -6.745 1.530 -7.842 138 HB2 SER 17 HB2 SER 17 -5.771 -0.263 -6.256 139 HB3 SER 17 HB1 SER 17 -4.664 0.931 -6.902 140 HG SER 17 HG SER 17 -5.900 1.249 -4.363 141 H ALA 18 HN ALA 18 -7.763 2.741 -4.767 142 HA ALA 18 HA ALA 18 -9.831 0.829 -4.355 143 HB1 ALA 18 HB1 ALA 18 -9.460 3.591 -3.191 144 HB2 ALA 18 HB2 ALA 18 -8.853 2.089 -2.495 145 HB3 ALA 18 HB3 ALA 18 -10.590 2.374 -2.604 146 H GLY 19 HN GLY 19 -9.850 4.269 -5.372 147 HA2 GLY 19 HA2 GLY 19 -11.162 4.394 -7.582 148 HA3 GLY 19 HA1 GLY 19 -12.470 3.765 -6.595 149 H GLU 20 HN GLU 20 -11.915 5.247 -4.222 150 HA GLU 20 HA GLU 20 -12.510 7.150 -3.208 151 HB2 GLU 20 HB2 GLU 20 -10.486 8.068 -4.431 152 HB3 GLU 20 HB1 GLU 20 -11.531 8.516 -5.761 153 HG2 GLU 20 HG2 GLU 20 -12.713 10.083 -4.231 154 HG3 GLU 20 HG1 GLU 20 -11.546 9.671 -2.975 155 H THR 21 HN THR 21 -14.413 5.612 -4.494 156 HA THR 21 HA THR 21 -16.119 7.363 -6.053 157 HB THR 21 HB THR 21 -16.413 4.394 -5.475 158 HG1 THR 21 HG1 THR 21 -15.122 4.011 -7.145 159 HG21 THR 21 HG21 THR 21 -18.439 5.480 -6.307 160 HG22 THR 21 HG22 THR 21 -17.776 4.377 -7.520 161 HG23 THR 21 HG23 THR 21 -17.550 6.128 -7.689 162 H ASP 22 HN ASP 22 -15.677 7.098 -2.978 163 HA ASP 22 HA ASP 22 -16.804 7.535 -1.052 164 HB2 ASP 22 HB2 ASP 22 -19.131 8.252 -2.870 165 HB3 ASP 22 HB1 ASP 22 -19.139 8.486 -1.130 166 H GLY 23 HN GLY 23 -17.073 5.929 0.185 167 HA2 GLY 23 HA2 GLY 23 -19.131 4.684 1.112 168 HA3 GLY 23 HA1 GLY 23 -19.101 3.895 -0.458 169 H THR 24 HN THR 24 -17.477 2.453 -0.941 170 HA THR 24 HA THR 24 -16.258 1.210 1.409 171 HB THR 24 HB THR 24 -16.452 0.175 -1.443 172 HG1 THR 24 HG1 THR 24 -18.213 -1.082 0.110 173 HG21 THR 24 HG21 THR 24 -14.843 -0.990 -0.007 174 HG22 THR 24 HG22 THR 24 -16.216 -2.030 -0.376 175 HG23 THR 24 HG23 THR 24 -16.100 -1.250 1.203 176 H ASP 25 HN ASP 25 -14.656 3.027 1.426 177 HA ASP 25 HA ASP 25 -12.540 2.620 -0.521 178 HB2 ASP 25 HB2 ASP 25 -14.245 4.340 -1.368 179 HB3 ASP 25 HB1 ASP 25 -13.642 5.392 -0.092 180 H LEU 26 HN LEU 26 -10.929 4.656 0.058 181 HA LEU 26 HA LEU 26 -10.522 4.622 2.944 182 HB2 LEU 26 HB2 LEU 26 -8.074 4.182 2.437 183 HB3 LEU 26 HB1 LEU 26 -9.207 2.854 2.360 184 HG LEU 26 HG LEU 26 -9.148 2.985 -0.106 185 HD11 LEU 26 HD11 LEU 26 -8.581 5.347 -0.367 186 HD12 LEU 26 HD12 LEU 26 -7.428 4.307 -1.205 187 HD13 LEU 26 HD13 LEU 26 -6.996 5.042 0.339 188 HD21 LEU 26 HD21 LEU 26 -6.880 2.122 -0.319 189 HD22 LEU 26 HD22 LEU 26 -7.723 1.491 1.098 190 HD23 LEU 26 HD23 LEU 26 -6.519 2.766 1.286 191 H SER 27 HN SER 27 -10.664 6.416 0.174 192 HA SER 27 HA SER 27 -8.653 8.288 0.396 193 HB2 SER 27 HB2 SER 27 -10.361 9.853 -0.730 194 HB3 SER 27 HB1 SER 27 -9.931 8.366 -1.577 195 HG SER 27 HG SER 27 -11.793 7.455 -0.983 196 H GLY 28 HN GLY 28 -8.251 9.978 1.591 197 HA2 GLY 28 HA2 GLY 28 -8.900 11.683 3.157 198 HA3 GLY 28 HA1 GLY 28 -10.172 10.603 3.733 199 H ASP 29 HN ASP 29 -9.659 8.914 5.135 200 HA ASP 29 HA ASP 29 -6.879 8.802 6.005 201 HB2 ASP 29 HB2 ASP 29 -9.282 9.028 7.849 202 HB3 ASP 29 HB1 ASP 29 -7.695 8.502 8.394 203 H PHE 30 HN PHE 30 -6.117 6.830 6.495 204 HA PHE 30 HA PHE 30 -7.856 4.479 6.313 205 HB2 PHE 30 HB2 PHE 30 -6.958 3.677 4.140 206 HB3 PHE 30 HB1 PHE 30 -7.633 5.279 3.992 207 HD1 PHE 30 HD2 PHE 30 -6.210 7.275 3.788 208 HD2 PHE 30 HD1 PHE 30 -4.580 3.348 3.744 209 HE1 PHE 30 HE2 PHE 30 -4.105 8.159 2.898 210 HE2 PHE 30 HE1 PHE 30 -2.465 4.234 2.856 211 HZ PHE 30 HZ PHE 30 -2.229 6.651 2.438 212 H LEU 31 HN LEU 31 -4.714 5.947 6.690 213 HA LEU 31 HA LEU 31 -2.922 3.936 6.413 214 HB2 LEU 31 HB2 LEU 31 -2.465 6.294 6.598 215 HB3 LEU 31 HB1 LEU 31 -2.794 6.252 8.323 216 HG LEU 31 HG LEU 31 -0.876 4.635 8.512 217 HD11 LEU 31 HD11 LEU 31 -0.778 3.921 6.188 218 HD12 LEU 31 HD12 LEU 31 0.758 4.634 6.677 219 HD13 LEU 31 HD13 LEU 31 -0.368 5.561 5.686 220 HD21 LEU 31 HD21 LEU 31 -0.675 6.970 9.137 221 HD22 LEU 31 HD22 LEU 31 -0.306 7.397 7.465 222 HD23 LEU 31 HD23 LEU 31 0.819 6.402 8.392 223 H ASP 32 HN ASP 32 -4.757 4.602 9.383 224 HA ASP 32 HA ASP 32 -3.275 2.472 10.762 225 HB2 ASP 32 HB2 ASP 32 -4.144 3.366 12.808 226 HB3 ASP 32 HB1 ASP 32 -3.501 4.697 11.853 227 H LEU 33 HN LEU 33 -5.944 2.654 8.912 228 HA LEU 33 HA LEU 33 -7.680 1.040 10.603 229 HB2 LEU 33 HB2 LEU 33 -8.033 2.132 7.793 230 HB3 LEU 33 HB1 LEU 33 -9.191 1.083 8.566 231 HG LEU 33 HG LEU 33 -9.561 2.876 10.297 232 HD11 LEU 33 HD11 LEU 33 -7.906 4.575 8.444 233 HD12 LEU 33 HD12 LEU 33 -7.475 4.100 10.085 234 HD13 LEU 33 HD13 LEU 33 -8.862 5.155 9.808 235 HD21 LEU 33 HD21 LEU 33 -11.073 2.586 8.438 236 HD22 LEU 33 HD22 LEU 33 -10.068 3.633 7.432 237 HD23 LEU 33 HD23 LEU 33 -10.904 4.295 8.838 238 H ARG 34 HN ARG 34 -8.360 -1.112 9.868 239 HA ARG 34 HA ARG 34 -6.151 -2.475 8.596 240 HB2 ARG 34 HB2 ARG 34 -7.797 -3.361 10.519 241 HB3 ARG 34 HB1 ARG 34 -8.834 -3.769 9.169 242 HG2 ARG 34 HG2 ARG 34 -6.006 -4.810 9.506 243 HG3 ARG 34 HG1 ARG 34 -7.434 -5.663 10.060 244 HD2 ARG 34 HD2 ARG 34 -8.192 -5.982 7.798 245 HD3 ARG 34 HD1 ARG 34 -6.954 -4.892 7.175 246 HE ARG 34 HE ARG 34 -5.736 -7.000 8.581 247 HH11 ARG 34 HH11 ARG 34 -7.711 -6.838 5.605 248 HH12 ARG 34 HH12 ARG 34 -6.688 -7.822 4.693 249 HH21 ARG 34 HH21 ARG 34 -4.401 -8.469 7.339 250 HH22 ARG 34 HH22 ARG 34 -4.726 -8.790 5.712 251 H PHE 35 HN PHE 35 -6.357 -3.433 6.531 252 HA PHE 35 HA PHE 35 -7.561 -1.986 4.569 253 HB2 PHE 35 HB2 PHE 35 -6.869 -4.924 4.510 254 HB3 PHE 35 HB1 PHE 35 -7.306 -3.996 3.076 255 HD1 PHE 35 HD2 PHE 35 -5.854 -2.055 2.416 256 HD2 PHE 35 HD1 PHE 35 -4.697 -4.853 5.384 257 HE1 PHE 35 HE2 PHE 35 -3.521 -1.344 2.175 258 HE2 PHE 35 HE1 PHE 35 -2.359 -4.142 5.156 259 HZ PHE 35 HZ PHE 35 -1.775 -2.356 3.533 260 H GLU 36 HN GLU 36 -9.161 -4.381 6.513 261 HA GLU 36 HA GLU 36 -11.491 -4.981 5.121 262 HB2 GLU 36 HB2 GLU 36 -11.423 -4.326 8.060 263 HB3 GLU 36 HB1 GLU 36 -12.512 -5.416 7.225 264 HG2 GLU 36 HG2 GLU 36 -9.596 -5.817 7.782 265 HG3 GLU 36 HG1 GLU 36 -10.958 -6.672 8.497 266 H ASP 37 HN ASP 37 -10.597 -2.127 7.008 267 HA ASP 37 HA ASP 37 -13.258 -0.989 7.096 268 HB2 ASP 37 HB2 ASP 37 -10.584 0.217 7.835 269 HB3 ASP 37 HB1 ASP 37 -12.155 0.900 8.188 270 H ILE 38 HN ILE 38 -10.528 -0.919 5.082 271 HA ILE 38 HA ILE 38 -11.415 1.598 3.911 272 HB ILE 38 HB ILE 38 -9.205 1.838 2.925 273 HG12 ILE 38 HG12 ILE 38 -8.525 -0.725 4.391 274 HG13 ILE 38 HG11 ILE 38 -8.616 -0.555 2.644 275 HG21 ILE 38 HG21 ILE 38 -7.952 2.168 5.045 276 HG22 ILE 38 HG22 ILE 38 -9.217 1.269 5.884 277 HG23 ILE 38 HG23 ILE 38 -9.599 2.797 5.095 278 HD11 ILE 38 HD11 ILE 38 -6.746 1.011 2.705 279 HD12 ILE 38 HD12 ILE 38 -6.324 -0.551 3.410 280 HD13 ILE 38 HD13 ILE 38 -6.656 0.830 4.455 281 H GLY 39 HN GLY 39 -12.462 -1.113 3.495 282 HA2 GLY 39 HA2 GLY 39 -13.483 -2.255 1.826 283 HA3 GLY 39 HA1 GLY 39 -13.261 -0.814 0.852 284 H TYR 40 HN TYR 40 -10.659 -2.770 2.188 285 HA TYR 40 HA TYR 40 -9.885 -3.397 -0.548 286 HB2 TYR 40 HB2 TYR 40 -8.322 -2.815 1.900 287 HB3 TYR 40 HB1 TYR 40 -7.681 -4.019 0.813 288 HD1 TYR 40 HD2 TYR 40 -9.638 -1.489 -0.833 289 HD2 TYR 40 HD1 TYR 40 -5.790 -2.435 0.658 290 HE1 TYR 40 HE2 TYR 40 -8.653 0.225 -2.292 291 HE2 TYR 40 HE1 TYR 40 -4.799 -0.744 -0.792 292 HH TYR 40 HH TYR 40 -5.228 0.424 -2.691 293 H ASP 41 HN ASP 41 -10.430 -5.277 -1.206 294 HA ASP 41 HA ASP 41 -10.526 -7.494 0.668 295 HB2 ASP 41 HB2 ASP 41 -11.448 -7.291 -2.187 296 HB3 ASP 41 HB1 ASP 41 -11.368 -8.826 -1.328 297 H SER 42 HN SER 42 -8.809 -6.686 -2.361 298 HA SER 42 HA SER 42 -6.458 -8.107 -1.596 299 HB2 SER 42 HB2 SER 42 -6.725 -9.985 -3.214 300 HB3 SER 42 HB1 SER 42 -7.860 -10.060 -1.855 301 H LEU 43 HN LEU 43 -8.339 -7.791 -4.574 302 HA LEU 43 HA LEU 43 -6.165 -7.339 -6.297 303 HB2 LEU 43 HB2 LEU 43 -8.498 -8.096 -6.944 304 HB3 LEU 43 HB1 LEU 43 -9.015 -6.438 -6.784 305 HG LEU 43 HG LEU 43 -8.685 -7.175 -9.142 306 HD11 LEU 43 HD11 LEU 43 -6.814 -4.950 -8.334 307 HD12 LEU 43 HD12 LEU 43 -8.530 -4.791 -8.682 308 HD13 LEU 43 HD13 LEU 43 -7.412 -5.260 -9.961 309 HD21 LEU 43 HD21 LEU 43 -6.842 -8.700 -8.809 310 HD22 LEU 43 HD22 LEU 43 -5.786 -7.360 -8.362 311 HD23 LEU 43 HD23 LEU 43 -6.416 -7.475 -10.006 312 H ALA 44 HN ALA 44 -8.397 -5.047 -4.811 313 HA ALA 44 HA ALA 44 -7.227 -2.748 -5.946 314 HB1 ALA 44 HB1 ALA 44 -9.466 -2.738 -4.956 315 HB2 ALA 44 HB2 ALA 44 -8.443 -1.487 -4.249 316 HB3 ALA 44 HB3 ALA 44 -8.759 -2.977 -3.356 317 H LEU 45 HN LEU 45 -6.483 -4.616 -3.088 318 HA LEU 45 HA LEU 45 -4.682 -2.760 -1.923 319 HB2 LEU 45 HB2 LEU 45 -5.769 -4.653 -0.687 320 HB3 LEU 45 HB1 LEU 45 -4.765 -5.774 -1.572 321 HG LEU 45 HG LEU 45 -3.622 -3.666 0.293 322 HD11 LEU 45 HD11 LEU 45 -3.384 -5.408 1.914 323 HD12 LEU 45 HD12 LEU 45 -4.274 -6.544 0.884 324 HD13 LEU 45 HD13 LEU 45 -5.088 -5.119 1.561 325 HD21 LEU 45 HD21 LEU 45 -2.482 -6.240 -0.776 326 HD22 LEU 45 HD22 LEU 45 -1.675 -5.128 0.340 327 HD23 LEU 45 HD23 LEU 45 -2.039 -4.619 -1.313 328 H MET 46 HN MET 46 -4.203 -5.626 -3.952 329 HA MET 46 HA MET 46 -1.400 -5.243 -4.097 330 HB2 MET 46 HB2 MET 46 -1.334 -6.854 -5.904 331 HB3 MET 46 HB1 MET 46 -2.353 -7.434 -4.594 332 HG2 MET 46 HG2 MET 46 -4.234 -7.296 -5.810 333 HG3 MET 46 HG1 MET 46 -3.625 -5.953 -6.784 334 HE1 MET 46 HE1 MET 46 -1.230 -7.832 -9.276 335 HE2 MET 46 HE2 MET 46 -0.816 -7.049 -7.753 336 HE3 MET 46 HE3 MET 46 -1.967 -6.288 -8.852 337 H GLU 47 HN GLU 47 -4.040 -3.882 -5.918 338 HA GLU 47 HA GLU 47 -2.468 -3.061 -8.103 339 HB2 GLU 47 HB2 GLU 47 -4.979 -3.107 -8.074 340 HB3 GLU 47 HB1 GLU 47 -4.950 -1.700 -7.020 341 HG2 GLU 47 HG2 GLU 47 -3.878 -0.400 -8.740 342 HG3 GLU 47 HG1 GLU 47 -3.817 -1.799 -9.810 343 H THR 48 HN THR 48 -3.160 -1.671 -4.949 344 HA THR 48 HA THR 48 -1.775 0.757 -5.185 345 HB THR 48 HB THR 48 -1.945 -1.094 -2.788 346 HG1 THR 48 HG1 THR 48 -3.838 0.509 -4.037 347 HG21 THR 48 HG21 THR 48 -1.559 1.891 -2.985 348 HG22 THR 48 HG22 THR 48 -0.327 0.713 -2.537 349 HG23 THR 48 HG23 THR 48 -1.721 0.974 -1.487 350 H ALA 49 HN ALA 49 -0.786 -2.407 -3.894 351 HA ALA 49 HA ALA 49 1.868 -1.854 -3.337 352 HB1 ALA 49 HB1 ALA 49 2.211 -4.236 -3.230 353 HB2 ALA 49 HB2 ALA 49 0.703 -4.516 -4.097 354 HB3 ALA 49 HB3 ALA 49 0.670 -3.810 -2.474 355 H ALA 50 HN ALA 50 0.618 -3.596 -6.200 356 HA ALA 50 HA ALA 50 3.030 -4.061 -7.463 357 HB1 ALA 50 HB1 ALA 50 0.360 -3.585 -8.789 358 HB2 ALA 50 HB2 ALA 50 0.913 -5.114 -8.104 359 HB3 ALA 50 HB3 ALA 50 1.747 -4.420 -9.493 360 H ARG 51 HN ARG 51 0.964 -1.256 -7.636 361 HA ARG 51 HA ARG 51 2.271 0.089 -9.731 362 HB2 ARG 51 HB2 ARG 51 0.034 0.660 -8.827 363 HB3 ARG 51 HB1 ARG 51 0.797 1.241 -7.360 364 HG2 ARG 51 HG2 ARG 51 1.937 2.982 -8.655 365 HG3 ARG 51 HG1 ARG 51 1.126 2.398 -10.117 366 HD2 ARG 51 HD2 ARG 51 -1.044 2.818 -9.065 367 HD3 ARG 51 HD1 ARG 51 -0.225 3.441 -7.636 368 HE ARG 51 HE ARG 51 0.536 4.771 -10.040 369 HH11 ARG 51 HH11 ARG 51 -2.015 4.649 -7.549 370 HH12 ARG 51 HH12 ARG 51 -2.440 6.306 -7.793 371 HH21 ARG 51 HH21 ARG 51 -0.195 7.084 -10.300 372 HH22 ARG 51 HH22 ARG 51 -1.476 7.592 -9.297 373 H LEU 52 HN LEU 52 2.618 0.303 -6.214 374 HA LEU 52 HA LEU 52 4.795 2.113 -6.292 375 HB2 LEU 52 HB2 LEU 52 3.860 0.290 -4.081 376 HB3 LEU 52 HB1 LEU 52 5.078 1.541 -3.895 377 HG LEU 52 HG LEU 52 2.181 1.997 -4.628 378 HD11 LEU 52 HD11 LEU 52 2.006 3.026 -2.427 379 HD12 LEU 52 HD12 LEU 52 3.676 2.572 -2.082 380 HD13 LEU 52 HD13 LEU 52 2.451 1.326 -2.314 381 HD21 LEU 52 HD21 LEU 52 2.693 4.375 -4.357 382 HD22 LEU 52 HD22 LEU 52 3.642 3.659 -5.659 383 HD23 LEU 52 HD23 LEU 52 4.395 3.983 -4.096 384 H GLU 53 HN GLU 53 4.614 -1.411 -6.027 385 HA GLU 53 HA GLU 53 7.282 -1.990 -5.587 386 HB2 GLU 53 HB2 GLU 53 5.322 -3.544 -7.276 387 HB3 GLU 53 HB1 GLU 53 6.884 -4.144 -6.769 388 HG2 GLU 53 HG2 GLU 53 6.114 -3.960 -4.409 389 HG3 GLU 53 HG1 GLU 53 4.540 -3.470 -5.025 390 H SER 54 HN SER 54 5.575 -1.840 -8.676 391 HA SER 54 HA SER 54 7.844 -2.266 -10.265 392 HB2 SER 54 HB2 SER 54 5.543 -2.652 -11.068 393 HB3 SER 54 HB1 SER 54 5.244 -0.915 -11.033 394 HG SER 54 HG SER 54 5.767 -1.416 -13.092 395 H ARG 55 HN ARG 55 6.404 0.715 -9.046 396 HA ARG 55 HA ARG 55 7.847 2.473 -10.725 397 HB2 ARG 55 HB2 ARG 55 5.825 3.187 -9.464 398 HB3 ARG 55 HB1 ARG 55 6.729 3.053 -7.961 399 HG2 ARG 55 HG2 ARG 55 8.329 4.754 -8.902 400 HG3 ARG 55 HG1 ARG 55 7.185 4.988 -10.218 401 HD2 ARG 55 HD2 ARG 55 6.528 5.355 -7.300 402 HD3 ARG 55 HD1 ARG 55 7.030 6.653 -8.365 403 HE ARG 55 HE ARG 55 4.795 5.440 -9.513 404 HH11 ARG 55 HH11 ARG 55 5.485 7.030 -6.403 405 HH12 ARG 55 HH12 ARG 55 4.061 7.928 -6.360 406 HH21 ARG 55 HH21 ARG 55 2.818 6.706 -9.510 407 HH22 ARG 55 HH22 ARG 55 2.470 7.787 -8.271 408 H TYR 56 HN TYR 56 8.558 1.169 -7.491 409 HA TYR 56 HA TYR 56 11.067 2.669 -7.553 410 HB2 TYR 56 HB2 TYR 56 9.825 1.273 -5.165 411 HB3 TYR 56 HB1 TYR 56 11.220 2.341 -5.157 412 HD1 TYR 56 HD2 TYR 56 10.867 4.758 -6.046 413 HD2 TYR 56 HD1 TYR 56 7.690 2.212 -4.822 414 HE1 TYR 56 HE2 TYR 56 9.385 6.711 -5.837 415 HE2 TYR 56 HE1 TYR 56 6.195 4.148 -4.625 416 HH TYR 56 HH TYR 56 6.330 6.700 -4.333 417 H GLY 57 HN GLY 57 10.050 -0.318 -8.390 418 HA2 GLY 57 HA2 GLY 57 11.257 -2.124 -9.120 419 HA3 GLY 57 HA1 GLY 57 12.725 -1.267 -8.682 420 H VAL 58 HN VAL 58 10.026 -2.146 -6.604 421 HA VAL 58 HA VAL 58 11.918 -3.716 -5.012 422 HB VAL 58 HB VAL 58 10.551 -3.339 -3.012 423 HG11 VAL 58 HG11 VAL 58 11.198 -0.769 -4.434 424 HG12 VAL 58 HG12 VAL 58 12.311 -1.744 -3.473 425 HG13 VAL 58 HG13 VAL 58 10.935 -0.944 -2.700 426 HG21 VAL 58 HG21 VAL 58 8.798 -1.626 -4.778 427 HG22 VAL 58 HG22 VAL 58 8.667 -1.756 -3.023 428 HG23 VAL 58 HG23 VAL 58 8.344 -3.159 -4.036 429 H SER 59 HN SER 59 10.554 -5.389 -3.516 430 HA SER 59 HA SER 59 8.566 -6.717 -5.200 431 HB2 SER 59 HB2 SER 59 10.997 -8.109 -4.043 432 HB3 SER 59 HB1 SER 59 9.736 -8.843 -5.034 433 HG SER 59 HG SER 59 10.510 -6.856 -6.426 434 H ILE 60 HN ILE 60 6.855 -6.887 -3.897 435 HA ILE 60 HA ILE 60 7.188 -7.447 -1.037 436 HB ILE 60 HB ILE 60 4.774 -6.596 -2.674 437 HG12 ILE 60 HG12 ILE 60 6.283 -5.105 -0.537 438 HG13 ILE 60 HG11 ILE 60 6.496 -4.844 -2.272 439 HG21 ILE 60 HG21 ILE 60 4.047 -8.034 -0.846 440 HG22 ILE 60 HG22 ILE 60 3.568 -6.364 -0.536 441 HG23 ILE 60 HG23 ILE 60 4.951 -7.054 0.309 442 HD11 ILE 60 HD11 ILE 60 3.973 -4.392 -0.690 443 HD12 ILE 60 HD12 ILE 60 4.157 -4.135 -2.428 444 HD13 ILE 60 HD13 ILE 60 5.071 -3.148 -1.286 445 HA PRO 61 HA PRO 61 6.174 -11.730 -1.992 446 HB2 PRO 61 HB2 PRO 61 5.359 -11.787 0.858 447 HB3 PRO 61 HB1 PRO 61 6.529 -12.807 0.004 448 HG2 PRO 61 HG2 PRO 61 7.327 -10.930 1.724 449 HG3 PRO 61 HG1 PRO 61 8.241 -11.268 0.244 450 HD2 PRO 61 HD2 PRO 61 6.376 -9.011 0.847 451 HD3 PRO 61 HD1 PRO 61 7.905 -9.008 -0.060 452 H ASP 62 HN ASP 62 4.353 -12.567 -2.682 453 HA ASP 62 HA ASP 62 2.044 -11.047 -2.959 454 HB2 ASP 62 HB2 ASP 62 2.432 -13.997 -3.387 455 HB3 ASP 62 HB1 ASP 62 0.927 -13.170 -3.757 456 H ASP 63 HN ASP 63 2.367 -13.923 -0.886 457 HA ASP 63 HA ASP 63 -0.298 -13.429 0.056 458 HB2 ASP 63 HB2 ASP 63 -0.108 -15.341 1.559 459 HB3 ASP 63 HB1 ASP 63 0.451 -15.767 -0.044 460 H VAL 64 HN VAL 64 2.593 -12.109 0.846 461 HA VAL 64 HA VAL 64 1.952 -11.639 3.568 462 HB VAL 64 HB VAL 64 4.157 -10.398 1.876 463 HG11 VAL 64 HG11 VAL 64 3.741 -10.196 4.867 464 HG12 VAL 64 HG12 VAL 64 3.563 -8.875 3.712 465 HG13 VAL 64 HG13 VAL 64 5.143 -9.608 3.976 466 HG21 VAL 64 HG21 VAL 64 4.420 -12.775 2.274 467 HG22 VAL 64 HG22 VAL 64 4.216 -12.523 4.010 468 HG23 VAL 64 HG23 VAL 64 5.624 -11.857 3.179 469 H ALA 65 HN ALA 65 1.305 -10.091 0.526 470 HA ALA 65 HA ALA 65 0.653 -7.536 1.532 471 HB1 ALA 65 HB1 ALA 65 -0.483 -7.119 -0.545 472 HB2 ALA 65 HB2 ALA 65 -0.491 -8.830 -0.955 473 HB3 ALA 65 HB3 ALA 65 1.035 -7.940 -0.871 474 H GLY 66 HN GLY 66 -1.123 -10.510 1.476 475 HA2 GLY 66 HA2 GLY 66 -3.556 -9.162 2.413 476 HA3 GLY 66 HA1 GLY 66 -3.386 -10.890 2.110 477 H ARG 67 HN ARG 67 -0.751 -10.083 3.692 478 HA ARG 67 HA ARG 67 -1.682 -11.195 6.233 479 HB2 ARG 67 HB2 ARG 67 0.144 -12.350 5.200 480 HB3 ARG 67 HB1 ARG 67 0.982 -10.838 4.906 481 HG2 ARG 67 HG2 ARG 67 1.435 -10.616 7.279 482 HG3 ARG 67 HG1 ARG 67 0.575 -12.134 7.585 483 HD2 ARG 67 HD2 ARG 67 2.153 -13.394 6.390 484 HD3 ARG 67 HD1 ARG 67 2.840 -11.967 5.629 485 HE ARG 67 HE ARG 67 3.117 -11.904 8.448 486 HH11 ARG 67 HH11 ARG 67 4.439 -13.598 5.608 487 HH12 ARG 67 HH12 ARG 67 6.048 -13.577 6.117 488 HH21 ARG 67 HH21 ARG 67 5.401 -11.926 9.218 489 HH22 ARG 67 HH22 ARG 67 6.591 -12.635 8.229 490 H VAL 68 HN VAL 68 -0.528 -8.277 4.808 491 HA VAL 68 HA VAL 68 0.191 -7.046 7.298 492 HB VAL 68 HB VAL 68 0.329 -4.915 5.887 493 HG11 VAL 68 HG11 VAL 68 2.303 -5.581 4.647 494 HG12 VAL 68 HG12 VAL 68 1.879 -7.281 4.865 495 HG13 VAL 68 HG13 VAL 68 2.299 -6.284 6.265 496 HG21 VAL 68 HG21 VAL 68 0.230 -5.121 3.473 497 HG22 VAL 68 HG22 VAL 68 -1.327 -5.559 4.186 498 HG23 VAL 68 HG23 VAL 68 -0.232 -6.813 3.622 499 H ASP 69 HN ASP 69 -1.032 -5.786 8.528 500 HA ASP 69 HA ASP 69 -3.896 -5.986 7.979 501 HB2 ASP 69 HB2 ASP 69 -2.409 -5.464 10.521 502 HB3 ASP 69 HB1 ASP 69 -4.098 -4.997 10.395 503 H THR 70 HN THR 70 -1.670 -3.362 8.820 504 HA THR 70 HA THR 70 -3.795 -1.530 8.004 505 HB THR 70 HB THR 70 -2.455 0.198 9.235 506 HG1 THR 70 HG1 THR 70 -0.958 -1.051 10.837 507 HG21 THR 70 HG21 THR 70 -4.340 -0.914 10.344 508 HG22 THR 70 HG22 THR 70 -3.047 -0.581 11.496 509 HG23 THR 70 HG23 THR 70 -3.275 -2.216 10.873 510 HA PRO 71 HA PRO 71 -1.461 -0.236 4.385 511 HB2 PRO 71 HB2 PRO 71 -2.190 2.490 5.365 512 HB3 PRO 71 HB1 PRO 71 -2.343 1.804 3.740 513 HG2 PRO 71 HG2 PRO 71 -4.478 2.047 5.270 514 HG3 PRO 71 HG1 PRO 71 -4.237 0.585 4.293 515 HD2 PRO 71 HD2 PRO 71 -3.871 0.977 7.225 516 HD3 PRO 71 HD1 PRO 71 -4.481 -0.430 6.338 517 H ARG 72 HN ARG 72 -1.086 1.481 7.481 518 HA ARG 72 HA ARG 72 1.439 2.588 7.100 519 HB2 ARG 72 HB2 ARG 72 0.164 3.112 9.093 520 HB3 ARG 72 HB1 ARG 72 0.240 1.446 9.642 521 HG2 ARG 72 HG2 ARG 72 2.673 1.652 9.920 522 HG3 ARG 72 HG1 ARG 72 2.590 3.328 9.373 523 HD2 ARG 72 HD2 ARG 72 1.138 2.240 11.778 524 HD3 ARG 72 HD1 ARG 72 2.706 3.033 11.848 525 HE ARG 72 HE ARG 72 1.548 5.002 10.857 526 HH11 ARG 72 HH11 ARG 72 -0.372 2.630 12.682 527 HH12 ARG 72 HH12 ARG 72 -1.395 3.803 13.391 528 HH21 ARG 72 HH21 ARG 72 0.101 6.601 11.839 529 HH22 ARG 72 HH22 ARG 72 -1.157 6.108 12.850 530 H GLU 73 HN GLU 73 0.593 -0.666 8.182 531 HA GLU 73 HA GLU 73 3.232 -1.572 8.566 532 HB2 GLU 73 HB2 GLU 73 1.285 -2.609 9.618 533 HB3 GLU 73 HB1 GLU 73 0.671 -3.087 8.050 534 HG2 GLU 73 HG2 GLU 73 2.437 -4.650 7.759 535 HG3 GLU 73 HG1 GLU 73 3.271 -4.055 9.197 536 H LEU 74 HN LEU 74 1.043 -1.671 5.837 537 HA LEU 74 HA LEU 74 2.727 -3.179 4.115 538 HB2 LEU 74 HB2 LEU 74 0.259 -2.894 3.851 539 HB3 LEU 74 HB1 LEU 74 0.500 -1.220 3.426 540 HG LEU 74 HG LEU 74 -0.082 -2.804 1.553 541 HD11 LEU 74 HD11 LEU 74 0.905 -0.642 1.049 542 HD12 LEU 74 HD12 LEU 74 1.514 -1.865 -0.068 543 HD13 LEU 74 HD13 LEU 74 2.524 -1.306 1.267 544 HD21 LEU 74 HD21 LEU 74 1.720 -4.186 0.606 545 HD22 LEU 74 HD22 LEU 74 1.243 -4.712 2.217 546 HD23 LEU 74 HD23 LEU 74 2.733 -3.794 1.997 547 H LEU 75 HN LEU 75 2.273 0.304 4.585 548 HA LEU 75 HA LEU 75 4.113 1.334 2.755 549 HB2 LEU 75 HB2 LEU 75 2.566 2.742 3.990 550 HB3 LEU 75 HB1 LEU 75 3.339 2.323 5.501 551 HG LEU 75 HG LEU 75 5.388 3.502 4.733 552 HD11 LEU 75 HD11 LEU 75 5.264 5.001 2.826 553 HD12 LEU 75 HD12 LEU 75 3.662 4.379 2.428 554 HD13 LEU 75 HD13 LEU 75 5.069 3.318 2.338 555 HD21 LEU 75 HD21 LEU 75 4.490 5.769 5.019 556 HD22 LEU 75 HD22 LEU 75 3.801 4.628 6.170 557 HD23 LEU 75 HD23 LEU 75 2.858 5.143 4.771 558 H ASP 76 HN ASP 76 4.523 0.336 6.093 559 HA ASP 76 HA ASP 76 7.194 0.906 6.566 560 HB2 ASP 76 HB2 ASP 76 5.558 0.100 8.259 561 HB3 ASP 76 HB1 ASP 76 5.637 -1.504 7.551 562 H LEU 77 HN LEU 77 5.730 -1.940 5.131 563 HA LEU 77 HA LEU 77 8.054 -3.495 4.801 564 HB2 LEU 77 HB2 LEU 77 5.682 -4.316 4.717 565 HB3 LEU 77 HB1 LEU 77 5.500 -3.537 3.167 566 HG LEU 77 HG LEU 77 7.416 -5.841 3.666 567 HD11 LEU 77 HD11 LEU 77 5.733 -7.244 2.604 568 HD12 LEU 77 HD12 LEU 77 4.618 -5.876 2.564 569 HD13 LEU 77 HD13 LEU 77 5.142 -6.541 4.109 570 HD21 LEU 77 HD21 LEU 77 7.941 -4.495 1.684 571 HD22 LEU 77 HD22 LEU 77 6.286 -4.713 1.109 572 HD23 LEU 77 HD23 LEU 77 7.358 -6.103 1.249 573 H ILE 78 HN ILE 78 6.428 -1.168 2.680 574 HA ILE 78 HA ILE 78 8.181 -1.664 0.492 575 HB ILE 78 HB ILE 78 6.306 0.687 0.941 576 HG12 ILE 78 HG12 ILE 78 6.059 -1.871 -0.649 577 HG13 ILE 78 HG11 ILE 78 5.110 -1.399 0.752 578 HG21 ILE 78 HG21 ILE 78 8.116 1.305 -0.604 579 HG22 ILE 78 HG22 ILE 78 6.586 1.153 -1.462 580 HG23 ILE 78 HG23 ILE 78 7.790 -0.134 -1.571 581 HD11 ILE 78 HD11 ILE 78 5.043 -0.119 -1.973 582 HD12 ILE 78 HD12 ILE 78 4.089 0.406 -0.579 583 HD13 ILE 78 HD13 ILE 78 3.833 -1.194 -1.286 584 H ASN 79 HN ASN 79 8.011 0.807 2.991 585 HA ASN 79 HA ASN 79 10.222 2.276 2.067 586 HB2 ASN 79 HB2 ASN 79 8.883 2.103 4.747 587 HB3 ASN 79 HB1 ASN 79 10.381 3.006 4.568 588 HD21 ASN 79 HD21 ASN 79 7.775 4.052 5.267 589 HD22 ASN 79 HD22 ASN 79 7.351 5.165 4.012 590 H GLY 80 HN GLY 80 10.043 -0.563 4.087 591 HA2 GLY 80 HA2 GLY 80 12.796 -0.605 4.802 592 HA3 GLY 80 HA1 GLY 80 11.705 -1.990 4.798 593 H ALA 81 HN ALA 81 10.943 -1.785 2.083 594 HA ALA 81 HA ALA 81 13.055 -3.266 0.878 595 HB1 ALA 81 HB1 ALA 81 10.696 -3.818 0.505 596 HB2 ALA 81 HB2 ALA 81 11.529 -3.489 -1.012 597 HB3 ALA 81 HB3 ALA 81 10.462 -2.272 -0.311 598 H LEU 82 HN LEU 82 11.884 0.011 0.690 599 HA LEU 82 HA LEU 82 13.111 0.828 -1.680 600 HB2 LEU 82 HB2 LEU 82 12.537 2.434 0.804 601 HB3 LEU 82 HB1 LEU 82 13.013 3.126 -0.731 602 HG LEU 82 HG LEU 82 10.457 1.649 -0.128 603 HD11 LEU 82 HD11 LEU 82 11.001 4.512 -0.841 604 HD12 LEU 82 HD12 LEU 82 10.523 3.898 0.741 605 HD13 LEU 82 HD13 LEU 82 9.409 3.787 -0.621 606 HD21 LEU 82 HD21 LEU 82 9.800 2.190 -2.420 607 HD22 LEU 82 HD22 LEU 82 11.205 1.125 -2.381 608 HD23 LEU 82 HD23 LEU 82 11.410 2.841 -2.726 609 H ALA 83 HN ALA 83 14.312 0.725 1.608 610 HA ALA 83 HA ALA 83 16.819 1.929 1.108 611 HB1 ALA 83 HB1 ALA 83 16.092 -0.055 3.265 612 HB2 ALA 83 HB2 ALA 83 15.867 1.693 3.358 613 HB3 ALA 83 HB3 ALA 83 17.494 1.017 3.263 614 H GLU 84 HN GLU 84 15.654 -1.001 0.035 615 HA GLU 84 HA GLU 84 18.331 -2.185 -0.122 616 HB2 GLU 84 HB2 GLU 84 16.629 -3.471 1.123 617 HB3 GLU 84 HB1 GLU 84 15.633 -3.516 -0.321 618 HG2 GLU 84 HG2 GLU 84 16.826 -5.607 0.028 619 HG3 GLU 84 HG1 GLU 84 17.329 -4.817 -1.468 620 H ALA 85 HN ALA 85 15.293 -1.846 -1.966 621 HA ALA 85 HA ALA 85 16.751 -2.624 -4.368 622 HB1 ALA 85 HB1 ALA 85 14.811 -3.931 -3.724 623 HB2 ALA 85 HB2 ALA 85 14.631 -3.186 -5.312 624 HB3 ALA 85 HB3 ALA 85 13.794 -2.504 -3.915 625 H ALA 86 HN ALA 86 15.365 0.255 -3.033 626 HA ALA 86 HA ALA 86 15.049 1.375 -5.704 627 HB1 ALA 86 HB1 ALA 86 14.304 2.565 -3.024 628 HB2 ALA 86 HB2 ALA 86 13.198 1.746 -4.125 629 HB3 ALA 86 HB3 ALA 86 13.951 3.267 -4.603 630 H281 PSR 87 H28A PSR 87 -7.523 -10.520 -6.653 631 H282 PSR 87 H28B PSR 87 -6.580 -9.859 -5.320 632 H301 PSR 87 H30A PSR 87 -4.648 -9.874 -6.715 633 H302 PSR 87 H30B PSR 87 -5.599 -10.558 -8.038 634 H303 PSR 87 H30C PSR 87 -4.099 -11.340 -7.526 635 H311 PSR 87 H31A PSR 87 -4.477 -10.950 -4.599 636 H312 PSR 87 H31B PSR 87 -3.954 -12.461 -5.343 637 H313 PSR 87 H31C PSR 87 -5.351 -12.444 -4.261 638 H321 PSR 87 H32A PSR 87 -5.320 -13.515 -7.246 639 H331 PSR 87 H33A PSR 87 -7.464 -13.490 -8.236 640 H361 PSR 87 H36A PSR 87 -5.611 -13.990 -4.699 641 H371 PSR 87 H37A PSR 87 -8.186 -14.914 -3.749 642 H372 PSR 87 H37B PSR 87 -7.094 -16.184 -4.260 643 H381 PSR 87 H38A PSR 87 -6.716 -15.992 -1.996 644 H382 PSR 87 H38B PSR 87 -5.315 -15.181 -2.753 645 H411 PSR 87 H41A PSR 87 -4.808 -14.022 -1.058 646 H421 PSR 87 H42A PSR 87 -6.679 -12.340 0.425 647 H422 PSR 87 H42B PSR 87 -4.991 -12.659 0.788 648 H431 PSR 87 H43A PSR 87 -5.191 -10.354 0.150 649 H432 PSR 87 H43B PSR 87 -6.064 -10.835 -1.310 650 HC21 PSR 87 H2A PSR 87 -2.511 -8.202 -3.117 651 HC22 PSR 87 H2B PSR 87 -3.207 -9.536 -4.003 652 HC31 PSR 87 H3A PSR 87 -1.583 -11.076 -3.059 653 HC32 PSR 87 H3B PSR 87 -0.882 -9.754 -2.105 654 HC41 PSR 87 H4C PSR 87 -1.032 -9.907 -5.114 655 HC42 PSR 87 H4A PSR 87 0.407 -10.186 -4.137 656 HC43 PSR 87 H4B PSR 87 -0.329 -8.581 -4.184 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 19.492 5.963 4.603 2 H2 MET 1 HT2 MET 1 20.711 7.047 5.070 3 H3 MET 1 HT3 MET 1 20.897 6.049 3.705 4 HA MET 1 HA MET 1 18.889 8.180 3.969 5 HB2 MET 1 HB2 MET 1 21.394 7.982 2.275 6 HB3 MET 1 HB1 MET 1 20.166 9.225 2.094 7 HG2 MET 1 HG2 MET 1 21.828 8.762 4.556 8 HG3 MET 1 HG1 MET 1 22.128 9.997 3.335 9 HE1 MET 1 HE1 MET 1 19.268 11.041 2.582 10 HE2 MET 1 HE2 MET 1 20.623 12.110 2.948 11 HE3 MET 1 HE3 MET 1 19.063 12.366 3.729 12 H ALA 2 HN ALA 2 17.090 7.201 3.167 13 HA ALA 2 HA ALA 2 17.316 6.172 0.454 14 HB1 ALA 2 HB1 ALA 2 15.779 4.839 2.684 15 HB2 ALA 2 HB2 ALA 2 17.260 4.228 1.944 16 HB3 ALA 2 HB3 ALA 2 15.780 4.348 0.989 17 H THR 3 HN THR 3 15.691 6.792 -0.829 18 HA THR 3 HA THR 3 13.876 8.771 0.068 19 HB THR 3 HB THR 3 14.836 8.871 -2.178 20 HG1 THR 3 HG1 THR 3 12.683 9.602 -1.786 21 HG21 THR 3 HG21 THR 3 13.383 6.292 -2.770 22 HG22 THR 3 HG22 THR 3 15.130 6.505 -2.652 23 HG23 THR 3 HG23 THR 3 14.235 7.279 -3.958 24 H LEU 4 HN LEU 4 12.232 8.236 1.287 25 HA LEU 4 HA LEU 4 11.006 5.595 0.972 26 HB2 LEU 4 HB2 LEU 4 11.016 7.427 3.360 27 HB3 LEU 4 HB1 LEU 4 10.239 5.859 3.279 28 HG LEU 4 HG LEU 4 13.210 6.378 3.143 29 HD11 LEU 4 HD11 LEU 4 13.253 5.259 5.311 30 HD12 LEU 4 HD12 LEU 4 11.491 5.155 5.285 31 HD13 LEU 4 HD13 LEU 4 12.280 6.730 5.351 32 HD21 LEU 4 HD21 LEU 4 12.577 4.443 1.787 33 HD22 LEU 4 HD22 LEU 4 11.687 3.768 3.152 34 HD23 LEU 4 HD23 LEU 4 13.441 3.940 3.240 35 H LEU 5 HN LEU 5 8.777 5.445 1.380 36 HA LEU 5 HA LEU 5 7.307 7.700 0.291 37 HB2 LEU 5 HB2 LEU 5 6.506 4.833 0.775 38 HB3 LEU 5 HB1 LEU 5 5.478 6.060 0.067 39 HG LEU 5 HG LEU 5 8.023 4.990 -1.147 40 HD11 LEU 5 HD11 LEU 5 5.134 4.591 -1.883 41 HD12 LEU 5 HD12 LEU 5 6.199 3.379 -1.166 42 HD13 LEU 5 HD13 LEU 5 6.522 3.989 -2.792 43 HD21 LEU 5 HD21 LEU 5 7.338 6.281 -3.115 44 HD22 LEU 5 HD22 LEU 5 7.641 7.318 -1.715 45 HD23 LEU 5 HD23 LEU 5 5.983 6.936 -2.188 46 H THR 6 HN THR 6 6.111 8.886 1.564 47 HA THR 6 HA THR 6 5.757 7.961 4.278 48 HB THR 6 HB THR 6 5.353 10.347 4.845 49 HG1 THR 6 HG1 THR 6 5.746 10.689 2.035 50 HG21 THR 6 HG21 THR 6 7.600 9.413 5.090 51 HG22 THR 6 HG22 THR 6 7.679 11.105 4.594 52 HG23 THR 6 HG23 THR 6 7.963 9.826 3.414 53 H THR 7 HN THR 7 3.637 9.567 5.051 54 HA THR 7 HA THR 7 1.469 8.024 4.427 55 HB THR 7 HB THR 7 1.489 10.891 5.344 56 HG1 THR 7 HG1 THR 7 2.168 10.128 7.251 57 HG21 THR 7 HG21 THR 7 -0.398 8.583 5.918 58 HG22 THR 7 HG22 THR 7 -0.753 9.948 4.860 59 HG23 THR 7 HG23 THR 7 -0.529 10.208 6.591 60 H ASP 8 HN ASP 8 2.145 11.365 3.162 61 HA ASP 8 HA ASP 8 -0.141 11.331 1.497 62 HB2 ASP 8 HB2 ASP 8 0.548 13.412 0.526 63 HB3 ASP 8 HB1 ASP 8 0.942 13.463 2.233 64 H ASP 9 HN ASP 9 2.997 10.085 0.963 65 HA ASP 9 HA ASP 9 2.940 9.878 -1.883 66 HB2 ASP 9 HB2 ASP 9 4.287 8.095 0.150 67 HB3 ASP 9 HB1 ASP 9 4.535 7.985 -1.581 68 H LEU 10 HN LEU 10 2.276 7.596 0.683 69 HA LEU 10 HA LEU 10 1.284 5.497 -0.920 70 HB2 LEU 10 HB2 LEU 10 2.172 5.125 1.271 71 HB3 LEU 10 HB1 LEU 10 0.973 6.168 1.997 72 HG LEU 10 HG LEU 10 -0.766 4.491 1.271 73 HD11 LEU 10 HD11 LEU 10 -0.022 2.222 0.746 74 HD12 LEU 10 HD12 LEU 10 1.648 2.788 0.693 75 HD13 LEU 10 HD13 LEU 10 0.479 3.383 -0.485 76 HD21 LEU 10 HD21 LEU 10 0.034 4.613 3.554 77 HD22 LEU 10 HD22 LEU 10 1.385 3.555 3.156 78 HD23 LEU 10 HD23 LEU 10 -0.268 2.936 3.096 79 H ARG 11 HN ARG 11 -0.128 8.258 0.566 80 HA ARG 11 HA ARG 11 -2.810 7.689 0.627 81 HB2 ARG 11 HB2 ARG 11 -1.576 9.715 1.494 82 HB3 ARG 11 HB1 ARG 11 -1.655 10.360 -0.137 83 HG2 ARG 11 HG2 ARG 11 -4.101 10.294 -0.024 84 HG3 ARG 11 HG1 ARG 11 -3.959 9.643 1.621 85 HD2 ARG 11 HD2 ARG 11 -4.390 12.036 1.679 86 HD3 ARG 11 HD1 ARG 11 -2.802 11.651 2.340 87 HE ARG 11 HE ARG 11 -2.802 12.319 -0.442 88 HH11 ARG 11 HH11 ARG 11 -2.583 13.626 2.846 89 HH12 ARG 11 HH12 ARG 11 -1.841 15.085 2.356 90 HH21 ARG 11 HH21 ARG 11 -1.729 14.300 -1.083 91 HH22 ARG 11 HH22 ARG 11 -1.330 15.467 0.104 92 H ARG 12 HN ARG 12 -1.263 9.571 -2.017 93 HA ARG 12 HA ARG 12 -3.473 9.247 -3.732 94 HB2 ARG 12 HB2 ARG 12 -2.082 10.078 -5.568 95 HB3 ARG 12 HB1 ARG 12 -1.982 11.090 -4.141 96 HG2 ARG 12 HG2 ARG 12 0.201 10.225 -3.631 97 HG3 ARG 12 HG1 ARG 12 0.078 9.050 -4.946 98 HD2 ARG 12 HD2 ARG 12 -0.061 12.031 -5.330 99 HD3 ARG 12 HD1 ARG 12 1.419 11.091 -5.486 100 HE ARG 12 HE ARG 12 0.241 9.843 -7.277 101 HH11 ARG 12 HH11 ARG 12 -1.054 13.002 -6.456 102 HH12 ARG 12 HH12 ARG 12 -1.340 13.527 -8.038 103 HH21 ARG 12 HH21 ARG 12 -0.155 10.484 -9.519 104 HH22 ARG 12 HH22 ARG 12 -0.794 12.012 -9.882 105 H ALA 13 HN ALA 13 -0.791 7.209 -3.129 106 HA ALA 13 HA ALA 13 -0.957 5.640 -5.474 107 HB1 ALA 13 HB1 ALA 13 0.051 4.880 -2.738 108 HB2 ALA 13 HB2 ALA 13 1.004 5.631 -4.022 109 HB3 ALA 13 HB3 ALA 13 0.356 4.005 -4.239 110 H LEU 14 HN LEU 14 -2.321 5.234 -2.204 111 HA LEU 14 HA LEU 14 -3.739 2.883 -2.803 112 HB2 LEU 14 HB2 LEU 14 -3.147 3.762 -0.527 113 HB3 LEU 14 HB1 LEU 14 -4.385 4.980 -0.740 114 HG LEU 14 HG LEU 14 -6.092 3.190 -0.882 115 HD11 LEU 14 HD11 LEU 14 -4.646 1.390 -1.687 116 HD12 LEU 14 HD12 LEU 14 -5.491 0.930 -0.209 117 HD13 LEU 14 HD13 LEU 14 -3.789 1.393 -0.146 118 HD21 LEU 14 HD21 LEU 14 -6.017 2.600 1.468 119 HD22 LEU 14 HD22 LEU 14 -5.603 4.298 1.189 120 HD23 LEU 14 HD23 LEU 14 -4.331 3.127 1.528 121 H VAL 15 HN VAL 15 -4.593 6.312 -2.813 122 HA VAL 15 HA VAL 15 -7.218 5.904 -3.689 123 HB VAL 15 HB VAL 15 -5.436 8.364 -3.746 124 HG11 VAL 15 HG11 VAL 15 -7.358 9.714 -4.445 125 HG12 VAL 15 HG12 VAL 15 -8.322 8.254 -4.660 126 HG13 VAL 15 HG13 VAL 15 -6.942 8.559 -5.713 127 HG21 VAL 15 HG21 VAL 15 -6.294 7.637 -1.626 128 HG22 VAL 15 HG22 VAL 15 -7.936 7.638 -2.274 129 HG23 VAL 15 HG23 VAL 15 -7.051 9.158 -2.112 130 H GLU 16 HN GLU 16 -4.332 5.510 -5.423 131 HA GLU 16 HA GLU 16 -5.351 6.158 -8.014 132 HB2 GLU 16 HB2 GLU 16 -2.917 6.258 -7.357 133 HB3 GLU 16 HB1 GLU 16 -2.905 4.500 -7.414 134 HG2 GLU 16 HG2 GLU 16 -3.466 4.537 -9.754 135 HG3 GLU 16 HG1 GLU 16 -3.616 6.292 -9.717 136 H SER 17 HN SER 17 -4.755 3.084 -6.257 137 HA SER 17 HA SER 17 -5.696 1.487 -8.413 138 HB2 SER 17 HB2 SER 17 -5.593 -0.397 -6.569 139 HB3 SER 17 HB1 SER 17 -4.136 0.501 -6.917 140 HG SER 17 HG SER 17 -5.900 1.078 -4.768 141 H ALA 18 HN ALA 18 -7.280 3.557 -6.555 142 HA ALA 18 HA ALA 18 -9.819 2.105 -6.603 143 HB1 ALA 18 HB1 ALA 18 -9.149 2.759 -4.334 144 HB2 ALA 18 HB2 ALA 18 -10.581 3.650 -4.853 145 HB3 ALA 18 HB3 ALA 18 -9.002 4.437 -4.859 146 H GLY 19 HN GLY 19 -8.059 4.104 -8.411 147 HA2 GLY 19 HA2 GLY 19 -9.759 6.316 -8.935 148 HA3 GLY 19 HA1 GLY 19 -8.507 5.700 -10.008 149 H GLU 20 HN GLU 20 -9.931 3.071 -9.685 150 HA GLU 20 HA GLU 20 -11.564 3.133 -12.004 151 HB2 GLU 20 HB2 GLU 20 -11.843 0.714 -11.563 152 HB3 GLU 20 HB1 GLU 20 -10.171 1.277 -11.410 153 HG2 GLU 20 HG2 GLU 20 -10.190 1.162 -9.081 154 HG3 GLU 20 HG1 GLU 20 -11.934 0.903 -9.032 155 H THR 21 HN THR 21 -12.073 3.738 -8.895 156 HA THR 21 HA THR 21 -14.996 3.686 -9.151 157 HB THR 21 HB THR 21 -15.064 3.466 -6.616 158 HG1 THR 21 HG1 THR 21 -12.402 3.756 -6.866 159 HG21 THR 21 HG21 THR 21 -14.598 1.062 -6.547 160 HG22 THR 21 HG22 THR 21 -13.722 1.192 -8.074 161 HG23 THR 21 HG23 THR 21 -15.454 1.514 -8.023 162 H ASP 22 HN ASP 22 -14.430 5.305 -6.431 163 HA ASP 22 HA ASP 22 -14.244 7.796 -7.975 164 HB2 ASP 22 HB2 ASP 22 -14.957 7.436 -5.049 165 HB3 ASP 22 HB1 ASP 22 -14.829 8.993 -5.855 166 H GLY 23 HN GLY 23 -12.699 6.049 -5.398 167 HA2 GLY 23 HA2 GLY 23 -10.359 5.980 -5.116 168 HA3 GLY 23 HA1 GLY 23 -10.229 7.513 -5.975 169 H THR 24 HN THR 24 -12.109 8.968 -4.714 170 HA THR 24 HA THR 24 -10.742 9.738 -2.346 171 HB THR 24 HB THR 24 -12.461 11.584 -2.416 172 HG1 THR 24 HG1 THR 24 -14.138 10.962 -3.487 173 HG21 THR 24 HG21 THR 24 -10.255 11.813 -3.484 174 HG22 THR 24 HG22 THR 24 -11.499 12.636 -4.424 175 HG23 THR 24 HG23 THR 24 -10.888 11.069 -4.952 176 H ASP 25 HN ASP 25 -11.793 7.277 -1.979 177 HA ASP 25 HA ASP 25 -14.298 7.428 -0.507 178 HB2 ASP 25 HB2 ASP 25 -13.614 5.433 -1.878 179 HB3 ASP 25 HB1 ASP 25 -12.321 5.143 -0.720 180 H LEU 26 HN LEU 26 -10.911 7.167 -0.021 181 HA LEU 26 HA LEU 26 -11.250 7.449 2.863 182 HB2 LEU 26 HB2 LEU 26 -8.896 6.459 2.979 183 HB3 LEU 26 HB1 LEU 26 -10.208 5.385 2.552 184 HG LEU 26 HG LEU 26 -9.399 6.027 0.095 185 HD11 LEU 26 HD11 LEU 26 -6.876 6.229 1.704 186 HD12 LEU 26 HD12 LEU 26 -7.626 7.521 0.776 187 HD13 LEU 26 HD13 LEU 26 -6.975 6.105 -0.051 188 HD21 LEU 26 HD21 LEU 26 -8.121 3.941 0.092 189 HD22 LEU 26 HD22 LEU 26 -9.650 3.785 0.953 190 HD23 LEU 26 HD23 LEU 26 -8.142 3.938 1.854 191 H SER 27 HN SER 27 -9.176 8.461 0.186 192 HA SER 27 HA SER 27 -8.318 10.492 -0.416 193 HB2 SER 27 HB2 SER 27 -10.223 11.524 1.588 194 HB3 SER 27 HB1 SER 27 -9.469 12.475 0.304 195 HG SER 27 HG SER 27 -11.596 11.746 -0.199 196 H GLY 28 HN GLY 28 -7.185 9.138 2.041 197 HA2 GLY 28 HA2 GLY 28 -5.056 10.164 2.900 198 HA3 GLY 28 HA1 GLY 28 -6.035 11.575 3.262 199 H ASP 29 HN ASP 29 -8.219 9.611 4.085 200 HA ASP 29 HA ASP 29 -7.187 9.090 6.785 201 HB2 ASP 29 HB2 ASP 29 -9.246 10.483 6.511 202 HB3 ASP 29 HB1 ASP 29 -10.026 9.125 5.720 203 H PHE 30 HN PHE 30 -6.128 7.152 6.469 204 HA PHE 30 HA PHE 30 -7.719 4.789 5.902 205 HB2 PHE 30 HB2 PHE 30 -6.668 4.152 3.757 206 HB3 PHE 30 HB1 PHE 30 -7.254 5.776 3.669 207 HD1 PHE 30 HD2 PHE 30 -5.831 7.703 3.476 208 HD2 PHE 30 HD1 PHE 30 -4.173 3.813 3.853 209 HE1 PHE 30 HE2 PHE 30 -3.661 8.563 2.739 210 HE2 PHE 30 HE1 PHE 30 -2.002 4.670 3.110 211 HZ PHE 30 HZ PHE 30 -1.702 7.077 2.711 212 H LEU 31 HN LEU 31 -4.652 6.319 6.624 213 HA LEU 31 HA LEU 31 -2.808 4.320 6.421 214 HB2 LEU 31 HB2 LEU 31 -2.331 6.686 6.686 215 HB3 LEU 31 HB1 LEU 31 -2.834 6.612 8.363 216 HG LEU 31 HG LEU 31 -0.984 4.978 8.744 217 HD11 LEU 31 HD11 LEU 31 0.853 4.933 7.105 218 HD12 LEU 31 HD12 LEU 31 -0.141 5.871 5.988 219 HD13 LEU 31 HD13 LEU 31 -0.639 4.247 6.460 220 HD21 LEU 31 HD21 LEU 31 -0.781 7.309 9.404 221 HD22 LEU 31 HD22 LEU 31 -0.228 7.740 7.787 222 HD23 LEU 31 HD23 LEU 31 0.767 6.706 8.812 223 H ASP 32 HN ASP 32 -4.805 5.049 9.249 224 HA ASP 32 HA ASP 32 -3.395 2.909 10.650 225 HB2 ASP 32 HB2 ASP 32 -3.573 5.222 11.652 226 HB3 ASP 32 HB1 ASP 32 -5.295 4.920 11.850 227 H LEU 33 HN LEU 33 -6.064 3.188 8.784 228 HA LEU 33 HA LEU 33 -7.818 1.553 10.432 229 HB2 LEU 33 HB2 LEU 33 -8.223 2.622 7.624 230 HB3 LEU 33 HB1 LEU 33 -9.382 1.643 8.480 231 HG LEU 33 HG LEU 33 -10.195 3.810 8.581 232 HD11 LEU 33 HD11 LEU 33 -8.833 3.316 11.199 233 HD12 LEU 33 HD12 LEU 33 -10.406 2.710 10.684 234 HD13 LEU 33 HD13 LEU 33 -10.165 4.441 10.931 235 HD21 LEU 33 HD21 LEU 33 -7.472 4.760 9.443 236 HD22 LEU 33 HD22 LEU 33 -8.917 5.765 9.322 237 HD23 LEU 33 HD23 LEU 33 -8.229 5.030 7.875 238 H ARG 34 HN ARG 34 -8.550 -0.492 9.699 239 HA ARG 34 HA ARG 34 -6.440 -1.994 8.408 240 HB2 ARG 34 HB2 ARG 34 -8.090 -2.736 10.363 241 HB3 ARG 34 HB1 ARG 34 -9.181 -3.120 9.043 242 HG2 ARG 34 HG2 ARG 34 -6.398 -4.254 9.221 243 HG3 ARG 34 HG1 ARG 34 -7.780 -5.014 9.994 244 HD2 ARG 34 HD2 ARG 34 -8.680 -5.695 7.995 245 HD3 ARG 34 HD1 ARG 34 -7.967 -4.346 7.101 246 HE ARG 34 HE ARG 34 -5.885 -5.456 7.158 247 HH11 ARG 34 HH11 ARG 34 -8.552 -7.593 8.206 248 HH12 ARG 34 HH12 ARG 34 -7.759 -9.021 7.720 249 HH21 ARG 34 HH21 ARG 34 -4.809 -7.440 6.499 250 HH22 ARG 34 HH22 ARG 34 -5.583 -8.929 6.739 251 H PHE 35 HN PHE 35 -6.594 -2.895 6.280 252 HA PHE 35 HA PHE 35 -7.777 -1.419 4.293 253 HB2 PHE 35 HB2 PHE 35 -7.106 -4.358 4.222 254 HB3 PHE 35 HB1 PHE 35 -7.604 -3.450 2.803 255 HD1 PHE 35 HD2 PHE 35 -6.182 -1.543 2.032 256 HD2 PHE 35 HD1 PHE 35 -4.908 -4.313 4.990 257 HE1 PHE 35 HE2 PHE 35 -3.848 -0.889 1.628 258 HE2 PHE 35 HE1 PHE 35 -2.580 -3.672 4.598 259 HZ PHE 35 HZ PHE 35 -2.039 -1.958 2.911 260 H GLU 36 HN GLU 36 -9.229 -4.261 5.823 261 HA GLU 36 HA GLU 36 -11.569 -4.545 4.370 262 HB2 GLU 36 HB2 GLU 36 -11.131 -4.917 7.330 263 HB3 GLU 36 HB1 GLU 36 -12.521 -5.513 6.442 264 HG2 GLU 36 HG2 GLU 36 -9.676 -6.304 5.897 265 HG3 GLU 36 HG1 GLU 36 -10.804 -7.219 6.896 266 H ASP 37 HN ASP 37 -10.731 -2.083 6.700 267 HA ASP 37 HA ASP 37 -13.462 -1.273 7.221 268 HB2 ASP 37 HB2 ASP 37 -11.589 -1.221 8.926 269 HB3 ASP 37 HB1 ASP 37 -10.885 0.102 8.011 270 H ILE 38 HN ILE 38 -10.817 -0.470 5.158 271 HA ILE 38 HA ILE 38 -12.172 1.972 4.280 272 HB ILE 38 HB ILE 38 -10.113 2.517 2.991 273 HG12 ILE 38 HG12 ILE 38 -8.934 0.069 4.343 274 HG13 ILE 38 HG11 ILE 38 -9.348 0.177 2.644 275 HG21 ILE 38 HG21 ILE 38 -9.650 1.967 5.917 276 HG22 ILE 38 HG22 ILE 38 -10.384 3.413 5.224 277 HG23 ILE 38 HG23 ILE 38 -8.684 3.051 4.916 278 HD11 ILE 38 HD11 ILE 38 -7.233 1.793 4.057 279 HD12 ILE 38 HD12 ILE 38 -7.650 1.909 2.346 280 HD13 ILE 38 HD13 ILE 38 -6.964 0.418 2.982 281 H GLY 39 HN GLY 39 -12.775 -0.921 3.668 282 HA2 GLY 39 HA2 GLY 39 -13.770 -2.059 1.958 283 HA3 GLY 39 HA1 GLY 39 -13.837 -0.533 1.099 284 H TYR 40 HN TYR 40 -10.770 -1.943 2.071 285 HA TYR 40 HA TYR 40 -10.228 -2.214 -0.765 286 HB2 TYR 40 HB2 TYR 40 -8.463 -1.430 1.465 287 HB3 TYR 40 HB1 TYR 40 -7.816 -2.689 0.442 288 HD1 TYR 40 HD2 TYR 40 -9.639 0.546 -0.032 289 HD2 TYR 40 HD1 TYR 40 -6.671 -2.171 -1.356 290 HE1 TYR 40 HE2 TYR 40 -9.101 2.050 -1.911 291 HE2 TYR 40 HE1 TYR 40 -6.137 -0.704 -3.221 292 HH TYR 40 HH TYR 40 -7.083 2.433 -3.478 293 H ASP 41 HN ASP 41 -10.447 -4.013 -1.693 294 HA ASP 41 HA ASP 41 -10.340 -6.472 -0.164 295 HB2 ASP 41 HB2 ASP 41 -11.336 -7.512 -2.052 296 HB3 ASP 41 HB1 ASP 41 -12.131 -5.945 -1.942 297 H SER 42 HN SER 42 -9.250 -8.264 -1.404 298 HA SER 42 HA SER 42 -6.561 -8.083 -1.378 299 HB2 SER 42 HB2 SER 42 -6.753 -10.210 -2.762 300 HB3 SER 42 HB1 SER 42 -7.634 -10.155 -1.225 301 H LEU 43 HN LEU 43 -8.652 -7.652 -4.263 302 HA LEU 43 HA LEU 43 -6.458 -7.659 -6.109 303 HB2 LEU 43 HB2 LEU 43 -8.874 -8.270 -6.636 304 HB3 LEU 43 HB1 LEU 43 -9.246 -6.567 -6.570 305 HG LEU 43 HG LEU 43 -7.361 -7.832 -8.584 306 HD11 LEU 43 HD11 LEU 43 -9.612 -8.651 -8.876 307 HD12 LEU 43 HD12 LEU 43 -9.187 -7.541 -10.180 308 HD13 LEU 43 HD13 LEU 43 -10.235 -7.001 -8.867 309 HD21 LEU 43 HD21 LEU 43 -6.918 -5.399 -8.259 310 HD22 LEU 43 HD22 LEU 43 -8.616 -5.060 -8.543 311 HD23 LEU 43 HD23 LEU 43 -7.623 -5.715 -9.839 312 H ALA 44 HN ALA 44 -8.541 -5.146 -4.750 313 HA ALA 44 HA ALA 44 -7.236 -3.038 -6.052 314 HB1 ALA 44 HB1 ALA 44 -8.355 -1.583 -4.440 315 HB2 ALA 44 HB2 ALA 44 -8.751 -2.980 -3.441 316 HB3 ALA 44 HB3 ALA 44 -9.462 -2.815 -5.048 317 H LEU 45 HN LEU 45 -6.700 -4.581 -2.942 318 HA LEU 45 HA LEU 45 -4.767 -2.828 -1.882 319 HB2 LEU 45 HB2 LEU 45 -6.077 -4.645 -0.689 320 HB3 LEU 45 HB1 LEU 45 -5.006 -5.810 -1.412 321 HG LEU 45 HG LEU 45 -4.209 -3.700 0.624 322 HD11 LEU 45 HD11 LEU 45 -3.883 -5.577 2.079 323 HD12 LEU 45 HD12 LEU 45 -4.541 -6.667 0.843 324 HD13 LEU 45 HD13 LEU 45 -5.580 -5.433 1.588 325 HD21 LEU 45 HD21 LEU 45 -2.099 -4.941 0.782 326 HD22 LEU 45 HD22 LEU 45 -2.363 -4.243 -0.829 327 HD23 LEU 45 HD23 LEU 45 -2.633 -5.967 -0.570 328 H MET 46 HN MET 46 -4.423 -5.849 -3.705 329 HA MET 46 HA MET 46 -1.607 -5.909 -3.670 330 HB2 MET 46 HB2 MET 46 -1.719 -7.644 -5.331 331 HB3 MET 46 HB1 MET 46 -3.077 -7.862 -4.243 332 HG2 MET 46 HG2 MET 46 -4.176 -8.155 -6.239 333 HG3 MET 46 HG1 MET 46 -4.263 -6.385 -6.042 334 HE1 MET 46 HE1 MET 46 -3.821 -6.809 -9.921 335 HE2 MET 46 HE2 MET 46 -4.837 -6.148 -8.640 336 HE3 MET 46 HE3 MET 46 -4.699 -7.895 -8.844 337 H GLU 47 HN GLU 47 -3.877 -4.309 -5.760 338 HA GLU 47 HA GLU 47 -2.010 -3.661 -7.785 339 HB2 GLU 47 HB2 GLU 47 -4.455 -3.865 -8.156 340 HB3 GLU 47 HB1 GLU 47 -4.709 -2.452 -7.150 341 HG2 GLU 47 HG2 GLU 47 -4.872 -1.922 -9.495 342 HG3 GLU 47 HG1 GLU 47 -3.535 -1.080 -8.733 343 H THR 48 HN THR 48 -3.119 -2.108 -4.812 344 HA THR 48 HA THR 48 -1.935 0.415 -5.105 345 HB THR 48 HB THR 48 -2.051 -1.253 -2.576 346 HG1 THR 48 HG1 THR 48 -4.072 0.091 -4.012 347 HG21 THR 48 HG21 THR 48 -2.241 0.931 -1.466 348 HG22 THR 48 HG22 THR 48 -2.105 1.733 -3.030 349 HG23 THR 48 HG23 THR 48 -0.744 0.806 -2.393 350 H ALA 49 HN ALA 49 -0.737 -2.541 -3.528 351 HA ALA 49 HA ALA 49 1.852 -1.695 -2.957 352 HB1 ALA 49 HB1 ALA 49 2.420 -4.037 -2.728 353 HB2 ALA 49 HB2 ALA 49 0.943 -4.495 -3.569 354 HB3 ALA 49 HB3 ALA 49 0.849 -3.710 -1.983 355 H ALA 50 HN ALA 50 0.720 -3.662 -5.701 356 HA ALA 50 HA ALA 50 3.203 -4.003 -6.926 357 HB1 ALA 50 HB1 ALA 50 1.970 -4.714 -8.884 358 HB2 ALA 50 HB2 ALA 50 0.498 -3.987 -8.237 359 HB3 ALA 50 HB3 ALA 50 1.237 -5.363 -7.417 360 H ARG 51 HN ARG 51 0.960 -1.391 -7.085 361 HA ARG 51 HA ARG 51 1.820 -0.066 -9.408 362 HB2 ARG 51 HB2 ARG 51 -0.192 0.380 -7.808 363 HB3 ARG 51 HB1 ARG 51 0.957 1.337 -6.887 364 HG2 ARG 51 HG2 ARG 51 0.365 3.028 -8.177 365 HG3 ARG 51 HG1 ARG 51 1.279 2.234 -9.469 366 HD2 ARG 51 HD2 ARG 51 -1.669 2.028 -8.888 367 HD3 ARG 51 HD1 ARG 51 -0.898 2.697 -10.321 368 HE ARG 51 HE ARG 51 -0.990 -0.159 -9.602 369 HH11 ARG 51 HH11 ARG 51 -0.681 2.362 -12.094 370 HH12 ARG 51 HH12 ARG 51 -0.837 1.264 -13.380 371 HH21 ARG 51 HH21 ARG 51 -1.221 -1.585 -11.328 372 HH22 ARG 51 HH22 ARG 51 -1.093 -1.061 -12.959 373 H LEU 52 HN LEU 52 2.585 0.439 -6.002 374 HA LEU 52 HA LEU 52 4.698 2.267 -6.446 375 HB2 LEU 52 HB2 LEU 52 3.913 0.723 -3.992 376 HB3 LEU 52 HB1 LEU 52 5.126 1.989 -4.023 377 HG LEU 52 HG LEU 52 2.208 2.361 -4.690 378 HD11 LEU 52 HD11 LEU 52 3.790 3.156 -2.255 379 HD12 LEU 52 HD12 LEU 52 2.528 1.927 -2.330 380 HD13 LEU 52 HD13 LEU 52 2.124 3.623 -2.597 381 HD21 LEU 52 HD21 LEU 52 4.454 4.356 -4.423 382 HD22 LEU 52 HD22 LEU 52 2.750 4.747 -4.683 383 HD23 LEU 52 HD23 LEU 52 3.657 3.884 -5.927 384 H GLU 53 HN GLU 53 4.597 -1.203 -5.805 385 HA GLU 53 HA GLU 53 7.271 -1.698 -5.313 386 HB2 GLU 53 HB2 GLU 53 5.307 -3.403 -6.835 387 HB3 GLU 53 HB1 GLU 53 6.898 -3.948 -6.350 388 HG2 GLU 53 HG2 GLU 53 6.221 -3.635 -3.977 389 HG3 GLU 53 HG1 GLU 53 4.628 -3.168 -4.555 390 H SER 54 HN SER 54 5.614 -1.927 -8.405 391 HA SER 54 HA SER 54 7.936 -2.371 -9.938 392 HB2 SER 54 HB2 SER 54 5.297 -1.209 -10.843 393 HB3 SER 54 HB1 SER 54 6.512 -1.983 -11.863 394 HG SER 54 HG SER 54 4.716 -3.103 -10.038 395 H ARG 55 HN ARG 55 6.322 0.522 -8.902 396 HA ARG 55 HA ARG 55 7.395 2.341 -10.754 397 HB2 ARG 55 HB2 ARG 55 5.361 2.747 -9.458 398 HB3 ARG 55 HB1 ARG 55 6.307 2.829 -7.986 399 HG2 ARG 55 HG2 ARG 55 7.400 4.840 -8.768 400 HG3 ARG 55 HG1 ARG 55 6.529 4.734 -10.302 401 HD2 ARG 55 HD2 ARG 55 5.248 5.020 -7.587 402 HD3 ARG 55 HD1 ARG 55 5.516 6.341 -8.720 403 HE ARG 55 HE ARG 55 4.076 4.310 -10.006 404 HH11 ARG 55 HH11 ARG 55 3.638 6.884 -7.589 405 HH12 ARG 55 HH12 ARG 55 1.963 7.033 -7.817 406 HH21 ARG 55 HH21 ARG 55 1.704 4.505 -10.320 407 HH22 ARG 55 HH22 ARG 55 0.817 5.618 -9.406 408 H TYR 56 HN TYR 56 8.645 1.194 -7.648 409 HA TYR 56 HA TYR 56 10.995 2.892 -8.177 410 HB2 TYR 56 HB2 TYR 56 10.176 1.888 -5.430 411 HB3 TYR 56 HB1 TYR 56 11.484 2.963 -5.830 412 HD1 TYR 56 HD2 TYR 56 11.036 5.234 -6.790 413 HD2 TYR 56 HD1 TYR 56 7.954 2.825 -5.116 414 HE1 TYR 56 HE2 TYR 56 9.598 7.217 -6.599 415 HE2 TYR 56 HE1 TYR 56 6.504 4.799 -4.929 416 HH TYR 56 HH TYR 56 6.779 7.310 -4.769 417 H GLY 57 HN GLY 57 10.138 0.077 -8.872 418 HA2 GLY 57 HA2 GLY 57 11.195 -1.909 -9.284 419 HA3 GLY 57 HA1 GLY 57 12.690 -1.031 -9.030 420 H VAL 58 HN VAL 58 10.050 -1.917 -6.858 421 HA VAL 58 HA VAL 58 11.977 -3.464 -5.324 422 HB VAL 58 HB VAL 58 10.902 -2.811 -3.194 423 HG11 VAL 58 HG11 VAL 58 12.899 -1.656 -3.884 424 HG12 VAL 58 HG12 VAL 58 11.817 -0.553 -3.035 425 HG13 VAL 58 HG13 VAL 58 11.939 -0.491 -4.792 426 HG21 VAL 58 HG21 VAL 58 9.370 -0.822 -4.874 427 HG22 VAL 58 HG22 VAL 58 9.429 -0.835 -3.112 428 HG23 VAL 58 HG23 VAL 58 8.699 -2.191 -3.976 429 H SER 59 HN SER 59 10.547 -4.795 -3.551 430 HA SER 59 HA SER 59 8.226 -5.842 -4.876 431 HB2 SER 59 HB2 SER 59 9.299 -8.166 -4.680 432 HB3 SER 59 HB1 SER 59 9.828 -7.122 -6.002 433 HG SER 59 HG SER 59 11.111 -7.932 -3.691 434 H ILE 60 HN ILE 60 6.935 -7.055 -3.536 435 HA ILE 60 HA ILE 60 7.649 -7.270 -0.676 436 HB ILE 60 HB ILE 60 4.967 -6.628 -1.959 437 HG12 ILE 60 HG12 ILE 60 6.705 -4.935 -0.161 438 HG13 ILE 60 HG11 ILE 60 6.509 -4.727 -1.899 439 HG21 ILE 60 HG21 ILE 60 5.593 -6.963 0.975 440 HG22 ILE 60 HG22 ILE 60 4.620 -8.050 -0.020 441 HG23 ILE 60 HG23 ILE 60 4.058 -6.411 0.299 442 HD11 ILE 60 HD11 ILE 60 5.201 -3.143 -0.646 443 HD12 ILE 60 HD12 ILE 60 4.343 -4.456 0.162 444 HD13 ILE 60 HD13 ILE 60 4.158 -4.215 -1.581 445 HA PRO 61 HA PRO 61 6.710 -11.649 -1.395 446 HB2 PRO 61 HB2 PRO 61 5.870 -11.512 1.471 447 HB3 PRO 61 HB1 PRO 61 6.977 -12.646 0.678 448 HG2 PRO 61 HG2 PRO 61 7.937 -10.726 2.229 449 HG3 PRO 61 HG1 PRO 61 8.749 -11.139 0.705 450 HD2 PRO 61 HD2 PRO 61 6.959 -8.826 1.332 451 HD3 PRO 61 HD1 PRO 61 8.445 -8.873 0.361 452 H ASP 62 HN ASP 62 4.892 -12.470 -2.169 453 HA ASP 62 HA ASP 62 2.523 -10.994 -2.383 454 HB2 ASP 62 HB2 ASP 62 3.281 -12.706 -3.998 455 HB3 ASP 62 HB1 ASP 62 2.845 -13.962 -2.846 456 H ASP 63 HN ASP 63 3.315 -13.658 -0.199 457 HA ASP 63 HA ASP 63 0.642 -13.864 0.832 458 HB2 ASP 63 HB2 ASP 63 2.157 -15.787 1.001 459 HB3 ASP 63 HB1 ASP 63 3.247 -14.787 1.971 460 H VAL 64 HN VAL 64 3.344 -11.868 1.487 461 HA VAL 64 HA VAL 64 2.414 -11.167 4.078 462 HB VAL 64 HB VAL 64 4.589 -9.821 2.427 463 HG11 VAL 64 HG11 VAL 64 3.901 -9.449 5.351 464 HG12 VAL 64 HG12 VAL 64 3.625 -8.264 4.077 465 HG13 VAL 64 HG13 VAL 64 5.273 -8.722 4.509 466 HG21 VAL 64 HG21 VAL 64 5.102 -12.106 3.069 467 HG22 VAL 64 HG22 VAL 64 4.733 -11.727 4.752 468 HG23 VAL 64 HG23 VAL 64 6.109 -10.964 3.957 469 H ALA 65 HN ALA 65 1.983 -10.014 0.839 470 HA ALA 65 HA ALA 65 0.751 -7.561 1.505 471 HB1 ALA 65 HB1 ALA 65 1.491 -8.063 -0.793 472 HB2 ALA 65 HB2 ALA 65 -0.201 -7.573 -0.727 473 HB3 ALA 65 HB3 ALA 65 0.211 -9.273 -0.935 474 H GLY 66 HN GLY 66 -0.291 -10.809 1.850 475 HA2 GLY 66 HA2 GLY 66 -3.063 -9.925 2.336 476 HA3 GLY 66 HA1 GLY 66 -2.537 -11.597 2.158 477 H ARG 67 HN ARG 67 -0.264 -10.154 3.918 478 HA ARG 67 HA ARG 67 -1.277 -11.238 6.441 479 HB2 ARG 67 HB2 ARG 67 0.860 -12.093 5.606 480 HB3 ARG 67 HB1 ARG 67 1.480 -10.459 5.495 481 HG2 ARG 67 HG2 ARG 67 1.384 -10.279 7.946 482 HG3 ARG 67 HG1 ARG 67 0.838 -11.959 8.021 483 HD2 ARG 67 HD2 ARG 67 2.854 -12.755 7.061 484 HD3 ARG 67 HD1 ARG 67 3.358 -11.129 6.616 485 HE ARG 67 HE ARG 67 3.027 -11.471 9.442 486 HH11 ARG 67 HH11 ARG 67 5.268 -12.118 6.781 487 HH12 ARG 67 HH12 ARG 67 6.683 -11.906 7.702 488 HH21 ARG 67 HH21 ARG 67 4.983 -11.170 10.747 489 HH22 ARG 67 HH22 ARG 67 6.499 -11.299 10.001 490 H VAL 68 HN VAL 68 -0.701 -8.330 4.824 491 HA VAL 68 HA VAL 68 -0.097 -6.724 7.112 492 HB VAL 68 HB VAL 68 -0.364 -4.779 5.527 493 HG11 VAL 68 HG11 VAL 68 1.415 -7.004 4.567 494 HG12 VAL 68 HG12 VAL 68 1.793 -5.849 5.841 495 HG13 VAL 68 HG13 VAL 68 1.591 -5.291 4.179 496 HG21 VAL 68 HG21 VAL 68 -2.054 -5.742 4.049 497 HG22 VAL 68 HG22 VAL 68 -0.891 -6.949 3.500 498 HG23 VAL 68 HG23 VAL 68 -0.627 -5.241 3.141 499 H ASP 69 HN ASP 69 -1.408 -5.507 8.321 500 HA ASP 69 HA ASP 69 -4.247 -6.008 7.996 501 HB2 ASP 69 HB2 ASP 69 -4.492 -5.295 10.309 502 HB3 ASP 69 HB1 ASP 69 -3.184 -6.456 10.209 503 H THR 70 HN THR 70 -2.058 -3.321 8.486 504 HA THR 70 HA THR 70 -4.140 -1.463 7.603 505 HB THR 70 HB THR 70 -2.630 0.193 8.845 506 HG1 THR 70 HG1 THR 70 -1.664 -2.240 10.023 507 HG21 THR 70 HG21 THR 70 -3.982 -2.014 10.417 508 HG22 THR 70 HG22 THR 70 -4.788 -0.594 9.745 509 HG23 THR 70 HG23 THR 70 -3.598 -0.406 11.033 510 HA PRO 71 HA PRO 71 -1.680 -0.303 4.047 511 HB2 PRO 71 HB2 PRO 71 -2.195 2.517 4.867 512 HB3 PRO 71 HB1 PRO 71 -2.501 1.729 3.314 513 HG2 PRO 71 HG2 PRO 71 -4.518 2.265 4.937 514 HG3 PRO 71 HG1 PRO 71 -4.455 0.722 4.062 515 HD2 PRO 71 HD2 PRO 71 -3.802 1.306 6.923 516 HD3 PRO 71 HD1 PRO 71 -4.688 -0.069 6.228 517 H ARG 72 HN ARG 72 -1.210 1.391 7.077 518 HA ARG 72 HA ARG 72 1.310 2.507 6.752 519 HB2 ARG 72 HB2 ARG 72 -0.226 2.716 8.753 520 HB3 ARG 72 HB1 ARG 72 0.336 1.130 9.260 521 HG2 ARG 72 HG2 ARG 72 2.654 2.047 9.273 522 HG3 ARG 72 HG1 ARG 72 1.958 3.641 8.993 523 HD2 ARG 72 HD2 ARG 72 1.507 1.832 11.359 524 HD3 ARG 72 HD1 ARG 72 2.381 3.358 11.340 525 HE ARG 72 HE ARG 72 -0.526 3.006 11.129 526 HH11 ARG 72 HH11 ARG 72 2.163 5.265 11.389 527 HH12 ARG 72 HH12 ARG 72 1.348 6.429 12.302 528 HH21 ARG 72 HH21 ARG 72 -1.709 4.569 12.519 529 HH22 ARG 72 HH22 ARG 72 -0.917 6.025 12.930 530 H GLU 73 HN GLU 73 0.428 -0.769 7.767 531 HA GLU 73 HA GLU 73 3.034 -1.788 8.148 532 HB2 GLU 73 HB2 GLU 73 0.942 -2.755 9.095 533 HB3 GLU 73 HB1 GLU 73 0.475 -3.259 7.481 534 HG2 GLU 73 HG2 GLU 73 1.357 -5.124 8.727 535 HG3 GLU 73 HG1 GLU 73 2.433 -4.723 7.387 536 H LEU 74 HN LEU 74 0.804 -1.794 5.448 537 HA LEU 74 HA LEU 74 2.336 -3.454 3.733 538 HB2 LEU 74 HB2 LEU 74 -0.130 -3.008 3.552 539 HB3 LEU 74 HB1 LEU 74 0.223 -1.384 3.035 540 HG LEU 74 HG LEU 74 -0.535 -3.031 1.269 541 HD11 LEU 74 HD11 LEU 74 2.125 -1.670 0.804 542 HD12 LEU 74 HD12 LEU 74 0.534 -0.930 0.630 543 HD13 LEU 74 HD13 LEU 74 1.024 -2.228 -0.458 544 HD21 LEU 74 HD21 LEU 74 1.161 -4.530 0.313 545 HD22 LEU 74 HD22 LEU 74 0.746 -4.961 1.973 546 HD23 LEU 74 HD23 LEU 74 2.254 -4.113 1.633 547 H LEU 75 HN LEU 75 2.110 0.033 4.158 548 HA LEU 75 HA LEU 75 3.881 0.920 2.201 549 HB2 LEU 75 HB2 LEU 75 2.428 2.373 3.558 550 HB3 LEU 75 HB1 LEU 75 3.400 2.024 4.968 551 HG LEU 75 HG LEU 75 5.325 3.141 3.891 552 HD11 LEU 75 HD11 LEU 75 4.960 4.506 1.900 553 HD12 LEU 75 HD12 LEU 75 3.328 3.852 1.752 554 HD13 LEU 75 HD13 LEU 75 4.725 2.790 1.569 555 HD21 LEU 75 HD21 LEU 75 3.886 4.378 5.420 556 HD22 LEU 75 HD22 LEU 75 2.817 4.807 4.085 557 HD23 LEU 75 HD23 LEU 75 4.469 5.428 4.127 558 H ASP 76 HN ASP 76 4.448 -0.297 5.444 559 HA ASP 76 HA ASP 76 7.185 0.294 5.667 560 HB2 ASP 76 HB2 ASP 76 5.819 -0.372 7.607 561 HB3 ASP 76 HB1 ASP 76 5.674 -1.996 6.948 562 H LEU 77 HN LEU 77 5.514 -2.506 4.267 563 HA LEU 77 HA LEU 77 7.783 -4.056 3.825 564 HB2 LEU 77 HB2 LEU 77 5.005 -3.971 2.849 565 HB3 LEU 77 HB1 LEU 77 6.148 -4.834 1.859 566 HG LEU 77 HG LEU 77 4.984 -6.376 3.298 567 HD11 LEU 77 HD11 LEU 77 6.852 -7.436 4.455 568 HD12 LEU 77 HD12 LEU 77 7.810 -5.971 4.231 569 HD13 LEU 77 HD13 LEU 77 7.281 -6.901 2.828 570 HD21 LEU 77 HD21 LEU 77 4.325 -4.851 5.085 571 HD22 LEU 77 HD22 LEU 77 6.001 -4.736 5.620 572 HD23 LEU 77 HD23 LEU 77 5.139 -6.271 5.745 573 H ILE 78 HN ILE 78 6.334 -1.447 2.060 574 HA ILE 78 HA ILE 78 7.976 -1.776 -0.270 575 HB ILE 78 HB ILE 78 6.364 0.647 0.627 576 HG12 ILE 78 HG12 ILE 78 5.696 -1.597 -1.282 577 HG13 ILE 78 HG11 ILE 78 4.987 -1.352 0.307 578 HG21 ILE 78 HG21 ILE 78 6.516 1.349 -1.733 579 HG22 ILE 78 HG22 ILE 78 7.543 -0.042 -2.078 580 HG23 ILE 78 HG23 ILE 78 8.114 1.227 -0.996 581 HD11 ILE 78 HD11 ILE 78 4.707 0.438 -2.083 582 HD12 ILE 78 HD12 ILE 78 3.968 0.725 -0.499 583 HD13 ILE 78 HD13 ILE 78 3.496 -0.680 -1.465 584 H ASN 79 HN ASN 79 7.891 0.471 2.469 585 HA ASN 79 HA ASN 79 10.200 1.914 1.777 586 HB2 ASN 79 HB2 ASN 79 8.774 1.576 4.402 587 HB3 ASN 79 HB1 ASN 79 10.248 2.532 4.277 588 HD21 ASN 79 HD21 ASN 79 7.478 3.365 4.918 589 HD22 ASN 79 HD22 ASN 79 7.130 4.576 3.735 590 H GLY 80 HN GLY 80 9.867 -1.030 3.634 591 HA2 GLY 80 HA2 GLY 80 12.530 -1.205 4.549 592 HA3 GLY 80 HA1 GLY 80 11.458 -2.575 4.267 593 H ALA 81 HN ALA 81 10.986 -2.152 1.548 594 HA ALA 81 HA ALA 81 13.317 -3.320 0.413 595 HB1 ALA 81 HB1 ALA 81 11.985 -3.389 -1.658 596 HB2 ALA 81 HB2 ALA 81 10.753 -2.381 -0.895 597 HB3 ALA 81 HB3 ALA 81 11.060 -3.998 -0.286 598 H LEU 82 HN LEU 82 11.746 -0.169 0.315 599 HA LEU 82 HA LEU 82 13.316 1.059 -1.653 600 HB2 LEU 82 HB2 LEU 82 11.879 2.281 0.692 601 HB3 LEU 82 HB1 LEU 82 12.631 3.216 -0.582 602 HG LEU 82 HG LEU 82 10.313 1.314 -0.911 603 HD11 LEU 82 HD11 LEU 82 9.055 3.340 -1.406 604 HD12 LEU 82 HD12 LEU 82 10.484 4.316 -1.064 605 HD13 LEU 82 HD13 LEU 82 9.724 3.380 0.224 606 HD21 LEU 82 HD21 LEU 82 10.222 2.144 -3.202 607 HD22 LEU 82 HD22 LEU 82 11.757 1.335 -2.880 608 HD23 LEU 82 HD23 LEU 82 11.679 3.095 -2.922 609 H ALA 83 HN ALA 83 13.954 0.431 1.655 610 HA ALA 83 HA ALA 83 16.126 2.178 2.033 611 HB1 ALA 83 HB1 ALA 83 16.759 0.719 3.883 612 HB2 ALA 83 HB2 ALA 83 15.665 -0.527 3.284 613 HB3 ALA 83 HB3 ALA 83 15.015 1.002 3.886 614 H GLU 84 HN GLU 84 15.791 -0.769 0.293 615 HA GLU 84 HA GLU 84 18.688 -1.071 0.078 616 HB2 GLU 84 HB2 GLU 84 17.247 -2.997 0.798 617 HB3 GLU 84 HB1 GLU 84 16.528 -2.978 -0.804 618 HG2 GLU 84 HG2 GLU 84 18.704 -3.441 -1.787 619 HG3 GLU 84 HG1 GLU 84 19.424 -3.428 -0.174 620 H ALA 85 HN ALA 85 15.715 -0.857 -1.890 621 HA ALA 85 HA ALA 85 17.332 0.044 -4.165 622 HB1 ALA 85 HB1 ALA 85 16.780 -2.314 -4.509 623 HB2 ALA 85 HB2 ALA 85 15.927 -1.275 -5.654 624 HB3 ALA 85 HB3 ALA 85 15.070 -1.946 -4.265 625 H ALA 86 HN ALA 86 16.229 1.489 -5.526 626 HA ALA 86 HA ALA 86 13.518 2.136 -5.290 627 HB1 ALA 86 HB1 ALA 86 13.823 4.453 -4.467 628 HB2 ALA 86 HB2 ALA 86 15.524 4.113 -4.159 629 HB3 ALA 86 HB3 ALA 86 14.275 3.272 -3.237 630 H281 PSR 87 H28A PSR 87 -8.382 -10.625 -6.097 631 H282 PSR 87 H28B PSR 87 -7.217 -9.882 -5.004 632 H301 PSR 87 H30A PSR 87 -5.450 -9.461 -6.387 633 H302 PSR 87 H30B PSR 87 -6.580 -9.769 -7.705 634 H303 PSR 87 H30C PSR 87 -4.987 -10.537 -7.704 635 H311 PSR 87 H31A PSR 87 -4.448 -12.296 -6.038 636 H312 PSR 87 H31B PSR 87 -5.642 -12.724 -4.809 637 H313 PSR 87 H31C PSR 87 -4.884 -11.136 -4.779 638 H321 PSR 87 H32A PSR 87 -6.060 -12.976 -7.797 639 H331 PSR 87 H33A PSR 87 -8.570 -12.434 -8.151 640 H361 PSR 87 H36A PSR 87 -6.203 -14.151 -5.484 641 H371 PSR 87 H37A PSR 87 -8.405 -14.932 -4.118 642 H372 PSR 87 H37B PSR 87 -8.488 -15.909 -5.573 643 H381 PSR 87 H38A PSR 87 -7.438 -17.128 -3.774 644 H382 PSR 87 H38B PSR 87 -6.296 -16.883 -5.104 645 H411 PSR 87 H41A PSR 87 -6.834 -14.156 -3.205 646 H421 PSR 87 H42A PSR 87 -4.693 -14.677 -1.293 647 H422 PSR 87 H42B PSR 87 -4.547 -13.340 -2.424 648 H431 PSR 87 H43A PSR 87 -6.693 -13.678 -0.367 649 H432 PSR 87 H43B PSR 87 -6.690 -12.466 -1.651 650 HC21 PSR 87 H2A PSR 87 -2.951 -10.425 0.071 651 HC22 PSR 87 H2B PSR 87 -3.291 -9.254 -1.203 652 HC31 PSR 87 H3A PSR 87 -1.744 -11.818 -1.630 653 HC32 PSR 87 H3B PSR 87 -0.994 -10.253 -1.292 654 HC41 PSR 87 H4C PSR 87 -1.012 -10.734 -3.687 655 HC42 PSR 87 H4A PSR 87 -2.017 -9.333 -3.313 656 HC43 PSR 87 H4B PSR 87 -2.769 -10.893 -3.644 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 18.104 9.517 6.298 2 H2 MET 1 HT2 MET 1 18.149 8.724 7.808 3 H3 MET 1 HT3 MET 1 16.939 8.352 6.701 4 HA MET 1 HA MET 1 19.823 7.926 6.294 5 HB2 MET 1 HB2 MET 1 18.886 6.400 7.997 6 HB3 MET 1 HB1 MET 1 17.627 5.915 6.871 7 HG2 MET 1 HG2 MET 1 19.305 4.958 5.390 8 HG3 MET 1 HG1 MET 1 20.579 5.477 6.490 9 HE1 MET 1 HE1 MET 1 20.308 2.492 5.443 10 HE2 MET 1 HE2 MET 1 20.613 1.595 6.932 11 HE3 MET 1 HE3 MET 1 21.565 3.031 6.557 12 H ALA 2 HN ALA 2 16.523 7.145 5.100 13 HA ALA 2 HA ALA 2 17.637 7.341 2.409 14 HB1 ALA 2 HB1 ALA 2 16.428 5.328 1.743 15 HB2 ALA 2 HB2 ALA 2 15.907 5.084 3.412 16 HB3 ALA 2 HB3 ALA 2 17.617 4.970 2.996 17 H THR 3 HN THR 3 16.052 7.877 0.825 18 HA THR 3 HA THR 3 13.883 9.424 1.758 19 HB THR 3 HB THR 3 13.469 9.212 -0.861 20 HG1 THR 3 HG1 THR 3 14.903 7.639 -1.414 21 HG21 THR 3 HG21 THR 3 15.089 11.038 -1.208 22 HG22 THR 3 HG22 THR 3 15.860 10.646 0.328 23 HG23 THR 3 HG23 THR 3 14.205 11.257 0.303 24 H LEU 4 HN LEU 4 12.210 8.386 2.619 25 HA LEU 4 HA LEU 4 11.430 5.769 1.566 26 HB2 LEU 4 HB2 LEU 4 10.832 7.048 4.233 27 HB3 LEU 4 HB1 LEU 4 10.314 5.455 3.731 28 HG LEU 4 HG LEU 4 13.170 6.327 4.182 29 HD11 LEU 4 HD11 LEU 4 13.097 4.782 6.073 30 HD12 LEU 4 HD12 LEU 4 11.387 4.485 5.761 31 HD13 LEU 4 HD13 LEU 4 11.926 6.090 6.248 32 HD21 LEU 4 HD21 LEU 4 12.057 3.622 3.435 33 HD22 LEU 4 HD22 LEU 4 13.738 3.963 3.852 34 HD23 LEU 4 HD23 LEU 4 13.027 4.668 2.399 35 H LEU 5 HN LEU 5 9.000 5.388 2.039 36 HA LEU 5 HA LEU 5 7.566 7.375 0.521 37 HB2 LEU 5 HB2 LEU 5 6.652 4.755 1.678 38 HB3 LEU 5 HB1 LEU 5 5.761 5.758 0.553 39 HG LEU 5 HG LEU 5 8.307 4.266 0.004 40 HD11 LEU 5 HD11 LEU 5 6.316 2.877 0.111 41 HD12 LEU 5 HD12 LEU 5 6.902 3.019 -1.548 42 HD13 LEU 5 HD13 LEU 5 5.501 3.957 -1.019 43 HD21 LEU 5 HD21 LEU 5 8.284 6.394 -1.138 44 HD22 LEU 5 HD22 LEU 5 6.670 6.054 -1.761 45 HD23 LEU 5 HD23 LEU 5 8.041 5.070 -2.276 46 H THR 6 HN THR 6 5.974 8.587 1.296 47 HA THR 6 HA THR 6 5.721 8.625 4.191 48 HB THR 6 HB THR 6 4.777 10.904 3.839 49 HG1 THR 6 HG1 THR 6 5.395 10.328 1.082 50 HG21 THR 6 HG21 THR 6 7.162 10.623 4.343 51 HG22 THR 6 HG22 THR 6 6.908 11.985 3.251 52 HG23 THR 6 HG23 THR 6 7.510 10.453 2.623 53 H THR 7 HN THR 7 3.338 9.702 4.679 54 HA THR 7 HA THR 7 1.475 7.726 4.233 55 HB THR 7 HB THR 7 0.792 10.618 4.704 56 HG1 THR 7 HG1 THR 7 1.324 10.384 6.753 57 HG21 THR 7 HG21 THR 7 -0.963 9.621 6.098 58 HG22 THR 7 HG22 THR 7 -0.362 8.009 5.708 59 HG23 THR 7 HG23 THR 7 -1.051 9.026 4.441 60 H ASP 8 HN ASP 8 2.102 10.792 2.574 61 HA ASP 8 HA ASP 8 -0.112 10.859 0.869 62 HB2 ASP 8 HB2 ASP 8 1.376 12.781 1.166 63 HB3 ASP 8 HB1 ASP 8 2.649 11.936 0.286 64 H ASP 9 HN ASP 9 3.040 9.395 0.372 65 HA ASP 9 HA ASP 9 2.741 8.640 -2.350 66 HB2 ASP 9 HB2 ASP 9 4.354 7.252 -0.185 67 HB3 ASP 9 HB1 ASP 9 4.481 6.917 -1.901 68 H LEU 10 HN LEU 10 2.150 7.024 0.653 69 HA LEU 10 HA LEU 10 1.251 4.549 -0.346 70 HB2 LEU 10 HB2 LEU 10 1.995 5.280 1.989 71 HB3 LEU 10 HB1 LEU 10 0.391 5.895 2.168 72 HG LEU 10 HG LEU 10 -0.575 3.668 1.847 73 HD11 LEU 10 HD11 LEU 10 1.171 2.692 0.459 74 HD12 LEU 10 HD12 LEU 10 0.867 1.695 1.882 75 HD13 LEU 10 HD13 LEU 10 2.294 2.732 1.818 76 HD21 LEU 10 HD21 LEU 10 1.533 3.831 3.988 77 HD22 LEU 10 HD22 LEU 10 0.139 2.748 3.992 78 HD23 LEU 10 HD23 LEU 10 -0.097 4.493 4.084 79 H ARG 11 HN ARG 11 -0.375 7.394 0.846 80 HA ARG 11 HA ARG 11 -3.043 6.724 0.743 81 HB2 ARG 11 HB2 ARG 11 -2.037 8.900 1.595 82 HB3 ARG 11 HB1 ARG 11 -2.024 9.440 -0.073 83 HG2 ARG 11 HG2 ARG 11 -4.496 9.012 -0.143 84 HG3 ARG 11 HG1 ARG 11 -4.395 8.730 1.600 85 HD2 ARG 11 HD2 ARG 11 -3.583 11.274 0.209 86 HD3 ARG 11 HD1 ARG 11 -5.115 11.018 1.029 87 HE ARG 11 HE ARG 11 -2.627 10.722 2.536 88 HH11 ARG 11 HH11 ARG 11 -5.555 12.630 1.841 89 HH12 ARG 11 HH12 ARG 11 -5.473 13.537 3.267 90 HH21 ARG 11 HH21 ARG 11 -2.488 12.033 4.482 91 HH22 ARG 11 HH22 ARG 11 -3.696 13.195 4.795 92 H ARG 12 HN ARG 12 -1.274 8.439 -1.816 93 HA ARG 12 HA ARG 12 -3.397 8.278 -3.589 94 HB2 ARG 12 HB2 ARG 12 -1.789 8.893 -5.401 95 HB3 ARG 12 HB1 ARG 12 -1.747 9.961 -4.009 96 HG2 ARG 12 HG2 ARG 12 0.315 9.034 -3.265 97 HG3 ARG 12 HG1 ARG 12 0.211 7.718 -4.436 98 HD2 ARG 12 HD2 ARG 12 0.458 10.644 -5.122 99 HD3 ARG 12 HD1 ARG 12 1.790 9.485 -5.125 100 HE ARG 12 HE ARG 12 -0.318 8.512 -6.720 101 HH11 ARG 12 HH11 ARG 12 2.237 10.991 -6.861 102 HH12 ARG 12 HH12 ARG 12 2.260 10.996 -8.573 103 HH21 ARG 12 HH21 ARG 12 -0.284 8.590 -8.977 104 HH22 ARG 12 HH22 ARG 12 0.804 9.593 -9.825 105 H ALA 13 HN ALA 13 -0.689 6.070 -3.072 106 HA ALA 13 HA ALA 13 -1.027 4.550 -5.419 107 HB1 ALA 13 HB1 ALA 13 0.279 2.832 -4.299 108 HB2 ALA 13 HB2 ALA 13 0.043 3.650 -2.753 109 HB3 ALA 13 HB3 ALA 13 0.981 4.426 -4.027 110 H LEU 14 HN LEU 14 -2.437 4.275 -2.216 111 HA LEU 14 HA LEU 14 -3.944 1.931 -2.675 112 HB2 LEU 14 HB2 LEU 14 -4.228 4.237 -0.772 113 HB3 LEU 14 HB1 LEU 14 -5.575 3.149 -0.968 114 HG LEU 14 HG LEU 14 -4.350 2.611 1.023 115 HD11 LEU 14 HD11 LEU 14 -5.369 0.774 -0.097 116 HD12 LEU 14 HD12 LEU 14 -3.868 0.262 0.674 117 HD13 LEU 14 HD13 LEU 14 -3.922 0.519 -1.072 118 HD21 LEU 14 HD21 LEU 14 -2.050 1.781 0.994 119 HD22 LEU 14 HD22 LEU 14 -2.152 3.462 0.462 120 HD23 LEU 14 HD23 LEU 14 -1.938 2.170 -0.722 121 H VAL 15 HN VAL 15 -4.845 5.345 -2.877 122 HA VAL 15 HA VAL 15 -7.463 4.814 -3.683 123 HB VAL 15 HB VAL 15 -6.566 6.995 -2.618 124 HG11 VAL 15 HG11 VAL 15 -4.910 7.264 -4.164 125 HG12 VAL 15 HG12 VAL 15 -5.894 8.707 -3.788 126 HG13 VAL 15 HG13 VAL 15 -6.089 7.848 -5.358 127 HG21 VAL 15 HG21 VAL 15 -8.487 7.214 -4.906 128 HG22 VAL 15 HG22 VAL 15 -8.336 8.343 -3.557 129 HG23 VAL 15 HG23 VAL 15 -8.899 6.693 -3.274 130 H GLU 16 HN GLU 16 -4.644 5.530 -5.669 131 HA GLU 16 HA GLU 16 -5.995 5.778 -8.136 132 HB2 GLU 16 HB2 GLU 16 -3.158 4.952 -7.563 133 HB3 GLU 16 HB1 GLU 16 -3.773 5.398 -9.143 134 HG2 GLU 16 HG2 GLU 16 -4.224 7.642 -8.361 135 HG3 GLU 16 HG1 GLU 16 -3.707 7.195 -6.737 136 H SER 17 HN SER 17 -4.729 2.993 -6.414 137 HA SER 17 HA SER 17 -4.971 1.274 -8.685 138 HB2 SER 17 HB2 SER 17 -4.459 0.642 -5.794 139 HB3 SER 17 HB1 SER 17 -4.201 -0.458 -7.154 140 HG SER 17 HG SER 17 -2.732 1.685 -6.266 141 H ALA 18 HN ALA 18 -7.119 2.359 -6.307 142 HA ALA 18 HA ALA 18 -8.900 0.068 -6.685 143 HB1 ALA 18 HB1 ALA 18 -9.251 2.544 -4.991 144 HB2 ALA 18 HB2 ALA 18 -8.690 0.972 -4.416 145 HB3 ALA 18 HB3 ALA 18 -10.336 1.153 -5.025 146 H GLY 19 HN GLY 19 -8.470 3.387 -7.500 147 HA2 GLY 19 HA2 GLY 19 -9.472 4.032 -9.690 148 HA3 GLY 19 HA1 GLY 19 -10.997 3.459 -8.988 149 H GLU 20 HN GLU 20 -8.792 6.050 -9.151 150 HA GLU 20 HA GLU 20 -9.316 6.993 -6.556 151 HB2 GLU 20 HB2 GLU 20 -8.018 8.981 -7.045 152 HB3 GLU 20 HB1 GLU 20 -7.197 7.516 -7.546 153 HG2 GLU 20 HG2 GLU 20 -7.637 7.974 -9.841 154 HG3 GLU 20 HG1 GLU 20 -8.720 9.306 -9.421 155 H THR 21 HN THR 21 -11.291 7.167 -9.025 156 HA THR 21 HA THR 21 -12.962 9.021 -7.552 157 HB THR 21 HB THR 21 -12.669 9.310 -10.576 158 HG1 THR 21 HG1 THR 21 -11.603 10.800 -8.408 159 HG21 THR 21 HG21 THR 21 -14.005 11.351 -10.242 160 HG22 THR 21 HG22 THR 21 -14.087 11.018 -8.512 161 HG23 THR 21 HG23 THR 21 -14.875 9.933 -9.655 162 H ASP 22 HN ASP 22 -13.524 6.719 -7.078 163 HA ASP 22 HA ASP 22 -15.216 5.571 -9.182 164 HB2 ASP 22 HB2 ASP 22 -13.447 4.081 -8.462 165 HB3 ASP 22 HB1 ASP 22 -13.949 4.262 -6.780 166 H GLY 23 HN GLY 23 -15.032 6.082 -5.722 167 HA2 GLY 23 HA2 GLY 23 -17.068 7.041 -4.671 168 HA3 GLY 23 HA1 GLY 23 -17.969 5.842 -5.605 169 H THR 24 HN THR 24 -16.455 3.630 -5.408 170 HA THR 24 HA THR 24 -16.618 3.074 -2.555 171 HB THR 24 HB THR 24 -16.507 0.632 -3.246 172 HG1 THR 24 HG1 THR 24 -16.233 1.786 -5.800 173 HG21 THR 24 HG21 THR 24 -18.765 2.245 -4.442 174 HG22 THR 24 HG22 THR 24 -18.654 1.692 -2.771 175 HG23 THR 24 HG23 THR 24 -18.815 0.519 -4.079 176 H ASP 25 HN ASP 25 -14.598 4.595 -3.486 177 HA ASP 25 HA ASP 25 -12.189 2.928 -3.318 178 HB2 ASP 25 HB2 ASP 25 -10.974 4.840 -4.312 179 HB3 ASP 25 HB1 ASP 25 -12.315 4.358 -5.323 180 H LEU 26 HN LEU 26 -10.432 4.873 -2.418 181 HA LEU 26 HA LEU 26 -11.286 5.102 0.322 182 HB2 LEU 26 HB2 LEU 26 -9.243 4.013 0.015 183 HB3 LEU 26 HB1 LEU 26 -8.634 5.218 -1.090 184 HG LEU 26 HG LEU 26 -8.702 6.779 0.841 185 HD11 LEU 26 HD11 LEU 26 -8.665 5.772 3.085 186 HD12 LEU 26 HD12 LEU 26 -9.063 4.209 2.372 187 HD13 LEU 26 HD13 LEU 26 -10.210 5.544 2.269 188 HD21 LEU 26 HD21 LEU 26 -6.663 5.880 -0.046 189 HD22 LEU 26 HD22 LEU 26 -6.860 4.396 0.886 190 HD23 LEU 26 HD23 LEU 26 -6.552 5.924 1.715 191 H SER 27 HN SER 27 -8.935 7.162 -1.160 192 HA SER 27 HA SER 27 -8.518 9.274 -1.206 193 HB2 SER 27 HB2 SER 27 -10.395 10.887 -1.964 194 HB3 SER 27 HB1 SER 27 -9.822 9.662 -3.095 195 HG SER 27 HG SER 27 -11.669 8.474 -2.722 196 H GLY 28 HN GLY 28 -7.745 9.975 0.521 197 HA2 GLY 28 HA2 GLY 28 -8.286 11.877 2.101 198 HA3 GLY 28 HA1 GLY 28 -9.621 10.844 2.607 199 H ASP 29 HN ASP 29 -8.794 10.813 4.756 200 HA ASP 29 HA ASP 29 -6.167 9.747 5.268 201 HB2 ASP 29 HB2 ASP 29 -6.656 9.965 7.629 202 HB3 ASP 29 HB1 ASP 29 -7.263 11.404 6.830 203 H PHE 30 HN PHE 30 -5.676 7.779 6.105 204 HA PHE 30 HA PHE 30 -7.721 5.653 6.143 205 HB2 PHE 30 HB2 PHE 30 -7.056 4.585 4.063 206 HB3 PHE 30 HB1 PHE 30 -7.078 6.289 3.769 207 HD1 PHE 30 HD2 PHE 30 -4.884 7.621 4.071 208 HD2 PHE 30 HD1 PHE 30 -5.098 3.415 3.514 209 HE1 PHE 30 HE2 PHE 30 -2.549 7.605 3.354 210 HE2 PHE 30 HE1 PHE 30 -2.759 3.397 2.793 211 HZ PHE 30 HZ PHE 30 -1.482 5.493 2.711 212 H LEU 31 HN LEU 31 -4.589 6.848 6.823 213 HA LEU 31 HA LEU 31 -2.833 4.823 6.703 214 HB2 LEU 31 HB2 LEU 31 -2.337 7.142 7.077 215 HB3 LEU 31 HB1 LEU 31 -2.917 7.027 8.724 216 HG LEU 31 HG LEU 31 -1.089 5.438 9.222 217 HD11 LEU 31 HD11 LEU 31 0.768 5.228 7.638 218 HD12 LEU 31 HD12 LEU 31 -0.144 6.153 6.445 219 HD13 LEU 31 HD13 LEU 31 -0.724 4.571 6.965 220 HD21 LEU 31 HD21 LEU 31 -0.247 8.099 8.091 221 HD22 LEU 31 HD22 LEU 31 0.685 7.120 9.227 222 HD23 LEU 31 HD23 LEU 31 -0.865 7.805 9.717 223 H ASP 32 HN ASP 32 -5.100 5.218 9.386 224 HA ASP 32 HA ASP 32 -3.740 2.991 10.757 225 HB2 ASP 32 HB2 ASP 32 -4.110 4.999 12.105 226 HB3 ASP 32 HB1 ASP 32 -5.839 4.893 11.804 227 H LEU 33 HN LEU 33 -6.371 3.518 8.770 228 HA LEU 33 HA LEU 33 -8.155 1.606 10.049 229 HB2 LEU 33 HB2 LEU 33 -8.424 2.998 7.390 230 HB3 LEU 33 HB1 LEU 33 -9.679 2.144 8.256 231 HG LEU 33 HG LEU 33 -8.397 4.743 9.079 232 HD11 LEU 33 HD11 LEU 33 -11.152 4.105 8.063 233 HD12 LEU 33 HD12 LEU 33 -9.882 4.962 7.188 234 HD13 LEU 33 HD13 LEU 33 -10.602 5.680 8.629 235 HD21 LEU 33 HD21 LEU 33 -10.081 4.791 10.860 236 HD22 LEU 33 HD22 LEU 33 -8.995 3.414 11.042 237 HD23 LEU 33 HD23 LEU 33 -10.620 3.177 10.397 238 H ARG 34 HN ARG 34 -8.531 -0.457 9.239 239 HA ARG 34 HA ARG 34 -6.363 -1.507 7.684 240 HB2 ARG 34 HB2 ARG 34 -7.479 -2.848 9.488 241 HB3 ARG 34 HB1 ARG 34 -8.911 -2.961 8.463 242 HG2 ARG 34 HG2 ARG 34 -7.554 -4.035 6.726 243 HG3 ARG 34 HG1 ARG 34 -6.165 -3.976 7.798 244 HD2 ARG 34 HD2 ARG 34 -8.709 -5.532 8.185 245 HD3 ARG 34 HD1 ARG 34 -7.096 -6.102 7.733 246 HE ARG 34 HE ARG 34 -6.646 -4.935 10.110 247 HH11 ARG 34 HH11 ARG 34 -9.092 -7.299 9.062 248 HH12 ARG 34 HH12 ARG 34 -9.108 -8.155 10.525 249 HH21 ARG 34 HH21 ARG 34 -6.653 -6.124 12.129 250 HH22 ARG 34 HH22 ARG 34 -7.727 -7.446 12.312 251 H PHE 35 HN PHE 35 -6.390 -2.338 5.631 252 HA PHE 35 HA PHE 35 -7.620 -0.921 3.635 253 HB2 PHE 35 HB2 PHE 35 -6.809 -3.807 3.340 254 HB3 PHE 35 HB1 PHE 35 -6.907 -2.593 2.072 255 HD1 PHE 35 HD2 PHE 35 -5.296 -0.599 2.238 256 HD2 PHE 35 HD1 PHE 35 -4.883 -4.179 4.472 257 HE1 PHE 35 HE2 PHE 35 -2.917 -0.092 2.612 258 HE2 PHE 35 HE1 PHE 35 -2.553 -3.708 4.865 259 HZ PHE 35 HZ PHE 35 -1.527 -1.647 3.926 260 H GLU 36 HN GLU 36 -8.646 -4.126 4.836 261 HA GLU 36 HA GLU 36 -10.797 -4.548 3.151 262 HB2 GLU 36 HB2 GLU 36 -11.705 -6.077 4.812 263 HB3 GLU 36 HB1 GLU 36 -9.961 -6.256 4.724 264 HG2 GLU 36 HG2 GLU 36 -9.686 -5.002 6.767 265 HG3 GLU 36 HG1 GLU 36 -11.413 -4.660 6.823 266 H ASP 37 HN ASP 37 -10.590 -2.421 5.890 267 HA ASP 37 HA ASP 37 -13.458 -2.138 6.138 268 HB2 ASP 37 HB2 ASP 37 -11.964 -2.322 8.125 269 HB3 ASP 37 HB1 ASP 37 -11.242 -0.782 7.679 270 H ILE 38 HN ILE 38 -10.896 -0.656 4.466 271 HA ILE 38 HA ILE 38 -12.451 1.792 4.202 272 HB ILE 38 HB ILE 38 -10.506 2.779 2.987 273 HG12 ILE 38 HG12 ILE 38 -9.072 0.236 3.810 274 HG13 ILE 38 HG11 ILE 38 -9.446 0.664 2.154 275 HG21 ILE 38 HG21 ILE 38 -10.803 3.202 5.332 276 HG22 ILE 38 HG22 ILE 38 -9.086 3.067 4.961 277 HG23 ILE 38 HG23 ILE 38 -9.924 1.729 5.742 278 HD11 ILE 38 HD11 ILE 38 -7.940 2.625 2.375 279 HD12 ILE 38 HD12 ILE 38 -7.126 1.080 2.627 280 HD13 ILE 38 HD13 ILE 38 -7.539 2.086 4.010 281 H GLY 39 HN GLY 39 -13.099 -0.807 3.047 282 HA2 GLY 39 HA2 GLY 39 -14.372 -1.366 1.221 283 HA3 GLY 39 HA1 GLY 39 -13.991 0.195 0.515 284 H TYR 40 HN TYR 40 -11.276 -1.647 1.519 285 HA TYR 40 HA TYR 40 -10.635 -2.003 -1.280 286 HB2 TYR 40 HB2 TYR 40 -9.052 -1.613 1.174 287 HB3 TYR 40 HB1 TYR 40 -8.248 -2.473 -0.119 288 HD1 TYR 40 HD2 TYR 40 -10.659 0.357 -0.077 289 HD2 TYR 40 HD1 TYR 40 -6.823 -1.062 -1.149 290 HE1 TYR 40 HE2 TYR 40 -10.227 2.459 -1.197 291 HE2 TYR 40 HE1 TYR 40 -6.345 0.994 -2.267 292 HH TYR 40 HH TYR 40 -7.523 2.860 -3.237 293 H ASP 41 HN ASP 41 -11.028 -3.777 -2.162 294 HA ASP 41 HA ASP 41 -10.933 -6.254 -0.662 295 HB2 ASP 41 HB2 ASP 41 -11.543 -5.742 -3.587 296 HB3 ASP 41 HB1 ASP 41 -11.598 -7.313 -2.809 297 H SER 42 HN SER 42 -9.920 -8.030 -2.102 298 HA SER 42 HA SER 42 -7.228 -7.982 -1.786 299 HB2 SER 42 HB2 SER 42 -7.380 -10.008 -3.245 300 HB3 SER 42 HB1 SER 42 -8.514 -9.963 -1.875 301 H LEU 43 HN LEU 43 -9.008 -7.507 -4.866 302 HA LEU 43 HA LEU 43 -6.690 -7.370 -6.497 303 HB2 LEU 43 HB2 LEU 43 -9.064 -7.825 -7.299 304 HB3 LEU 43 HB1 LEU 43 -9.368 -6.112 -7.148 305 HG LEU 43 HG LEU 43 -7.312 -7.305 -9.046 306 HD11 LEU 43 HD11 LEU 43 -8.937 -6.877 -10.815 307 HD12 LEU 43 HD12 LEU 43 -10.124 -6.401 -9.601 308 HD13 LEU 43 HD13 LEU 43 -9.522 -8.059 -9.644 309 HD21 LEU 43 HD21 LEU 43 -8.526 -4.519 -8.966 310 HD22 LEU 43 HD22 LEU 43 -7.406 -5.115 -10.186 311 HD23 LEU 43 HD23 LEU 43 -6.865 -4.916 -8.530 312 H ALA 44 HN ALA 44 -8.742 -4.803 -5.182 313 HA ALA 44 HA ALA 44 -7.302 -2.643 -6.239 314 HB1 ALA 44 HB1 ALA 44 -8.407 -1.279 -4.539 315 HB2 ALA 44 HB2 ALA 44 -8.883 -2.737 -3.670 316 HB3 ALA 44 HB3 ALA 44 -9.544 -2.410 -5.273 317 H LEU 45 HN LEU 45 -6.920 -4.461 -3.269 318 HA LEU 45 HA LEU 45 -4.948 -2.820 -2.130 319 HB2 LEU 45 HB2 LEU 45 -6.419 -4.937 -1.296 320 HB3 LEU 45 HB1 LEU 45 -4.854 -5.689 -1.520 321 HG LEU 45 HG LEU 45 -5.613 -3.487 0.356 322 HD11 LEU 45 HD11 LEU 45 -4.572 -4.943 1.966 323 HD12 LEU 45 HD12 LEU 45 -4.416 -6.178 0.689 324 HD13 LEU 45 HD13 LEU 45 -6.027 -5.599 1.193 325 HD21 LEU 45 HD21 LEU 45 -3.266 -3.348 1.020 326 HD22 LEU 45 HD22 LEU 45 -3.606 -2.768 -0.613 327 HD23 LEU 45 HD23 LEU 45 -2.846 -4.362 -0.383 328 H MET 46 HN MET 46 -4.687 -5.886 -3.960 329 HA MET 46 HA MET 46 -1.890 -6.032 -3.866 330 HB2 MET 46 HB2 MET 46 -1.992 -7.786 -5.471 331 HB3 MET 46 HB1 MET 46 -3.455 -7.916 -4.513 332 HG2 MET 46 HG2 MET 46 -4.348 -8.203 -6.612 333 HG3 MET 46 HG1 MET 46 -4.414 -6.449 -6.413 334 HE1 MET 46 HE1 MET 46 -4.750 -6.202 -9.053 335 HE2 MET 46 HE2 MET 46 -4.641 -7.950 -9.246 336 HE3 MET 46 HE3 MET 46 -3.649 -6.892 -10.248 337 H GLU 47 HN GLU 47 -4.007 -4.358 -6.122 338 HA GLU 47 HA GLU 47 -1.931 -3.808 -7.972 339 HB2 GLU 47 HB2 GLU 47 -4.400 -3.724 -8.528 340 HB3 GLU 47 HB1 GLU 47 -4.488 -2.213 -7.627 341 HG2 GLU 47 HG2 GLU 47 -2.861 -1.222 -9.109 342 HG3 GLU 47 HG1 GLU 47 -2.768 -2.711 -10.051 343 H THR 48 HN THR 48 -3.068 -2.338 -5.061 344 HA THR 48 HA THR 48 -1.821 0.178 -5.235 345 HB THR 48 HB THR 48 -2.427 -1.590 -2.856 346 HG1 THR 48 HG1 THR 48 -4.295 -0.906 -3.962 347 HG21 THR 48 HG21 THR 48 -0.684 0.020 -2.287 348 HG22 THR 48 HG22 THR 48 -2.200 0.440 -1.491 349 HG23 THR 48 HG23 THR 48 -1.674 1.335 -2.915 350 H ALA 49 HN ALA 49 -0.771 -2.905 -3.844 351 HA ALA 49 HA ALA 49 1.816 -2.165 -3.093 352 HB1 ALA 49 HB1 ALA 49 0.787 -4.284 -2.393 353 HB2 ALA 49 HB2 ALA 49 2.345 -4.546 -3.200 354 HB3 ALA 49 HB3 ALA 49 0.847 -4.847 -4.071 355 H ALA 50 HN ALA 50 0.629 -3.734 -6.032 356 HA ALA 50 HA ALA 50 3.006 -3.920 -7.443 357 HB1 ALA 50 HB1 ALA 50 0.234 -3.542 -8.558 358 HB2 ALA 50 HB2 ALA 50 0.938 -5.077 -8.052 359 HB3 ALA 50 HB3 ALA 50 1.626 -4.201 -9.420 360 H ARG 51 HN ARG 51 0.817 -1.228 -7.139 361 HA ARG 51 HA ARG 51 1.766 0.450 -9.177 362 HB2 ARG 51 HB2 ARG 51 -0.325 0.765 -7.819 363 HB3 ARG 51 HB1 ARG 51 0.669 1.208 -6.449 364 HG2 ARG 51 HG2 ARG 51 -0.154 3.214 -7.333 365 HG3 ARG 51 HG1 ARG 51 1.523 3.124 -7.865 366 HD2 ARG 51 HD2 ARG 51 0.069 3.865 -9.672 367 HD3 ARG 51 HD1 ARG 51 0.793 2.299 -10.042 368 HE ARG 51 HE ARG 51 -1.394 1.359 -9.203 369 HH11 ARG 51 HH11 ARG 51 -1.235 4.567 -10.687 370 HH12 ARG 51 HH12 ARG 51 -2.752 4.438 -11.474 371 HH21 ARG 51 HH21 ARG 51 -3.561 1.213 -10.230 372 HH22 ARG 51 HH22 ARG 51 -4.117 2.510 -11.150 373 H LEU 52 HN LEU 52 2.554 0.398 -5.716 374 HA LEU 52 HA LEU 52 4.702 2.220 -6.038 375 HB2 LEU 52 HB2 LEU 52 3.986 0.423 -3.741 376 HB3 LEU 52 HB1 LEU 52 5.310 1.573 -3.700 377 HG LEU 52 HG LEU 52 2.407 2.287 -4.113 378 HD11 LEU 52 HD11 LEU 52 2.848 1.502 -1.864 379 HD12 LEU 52 HD12 LEU 52 2.542 3.246 -1.884 380 HD13 LEU 52 HD13 LEU 52 4.195 2.636 -1.737 381 HD21 LEU 52 HD21 LEU 52 3.170 4.597 -3.833 382 HD22 LEU 52 HD22 LEU 52 3.917 3.836 -5.237 383 HD23 LEU 52 HD23 LEU 52 4.841 4.035 -3.748 384 H GLU 53 HN GLU 53 4.518 -1.289 -5.962 385 HA GLU 53 HA GLU 53 7.230 -1.837 -5.876 386 HB2 GLU 53 HB2 GLU 53 5.084 -3.342 -7.367 387 HB3 GLU 53 HB1 GLU 53 6.724 -3.922 -7.150 388 HG2 GLU 53 HG2 GLU 53 6.325 -3.835 -4.675 389 HG3 GLU 53 HG1 GLU 53 4.648 -3.457 -5.045 390 H SER 54 HN SER 54 5.149 -1.440 -8.697 391 HA SER 54 HA SER 54 7.209 -1.623 -10.604 392 HB2 SER 54 HB2 SER 54 5.518 -0.596 -12.180 393 HB3 SER 54 HB1 SER 54 4.894 -1.966 -11.256 394 HG SER 54 HG SER 54 3.729 -0.685 -10.053 395 H ARG 55 HN ARG 55 5.887 1.113 -8.887 396 HA ARG 55 HA ARG 55 7.124 3.133 -10.384 397 HB2 ARG 55 HB2 ARG 55 5.203 3.559 -8.970 398 HB3 ARG 55 HB1 ARG 55 6.126 3.150 -7.538 399 HG2 ARG 55 HG2 ARG 55 7.495 5.116 -7.817 400 HG3 ARG 55 HG1 ARG 55 6.688 5.492 -9.343 401 HD2 ARG 55 HD2 ARG 55 4.602 5.868 -8.216 402 HD3 ARG 55 HD1 ARG 55 5.262 5.278 -6.693 403 HE ARG 55 HE ARG 55 6.800 7.427 -7.631 404 HH11 ARG 55 HH11 ARG 55 3.516 6.908 -6.281 405 HH12 ARG 55 HH12 ARG 55 3.567 8.384 -5.401 406 HH21 ARG 55 HH21 ARG 55 6.725 9.457 -6.433 407 HH22 ARG 55 HH22 ARG 55 5.346 9.829 -5.511 408 H TYR 56 HN TYR 56 8.281 1.468 -7.424 409 HA TYR 56 HA TYR 56 10.778 2.999 -7.748 410 HB2 TYR 56 HB2 TYR 56 9.862 1.597 -5.220 411 HB3 TYR 56 HB1 TYR 56 11.322 2.513 -5.441 412 HD1 TYR 56 HD2 TYR 56 11.325 4.913 -5.737 413 HD2 TYR 56 HD1 TYR 56 7.716 2.800 -4.976 414 HE1 TYR 56 HE2 TYR 56 10.225 7.026 -5.162 415 HE2 TYR 56 HE1 TYR 56 6.593 4.887 -4.390 416 HH TYR 56 HH TYR 56 7.167 7.227 -3.645 417 H GLY 57 HN GLY 57 9.654 -0.002 -8.462 418 HA2 GLY 57 HA2 GLY 57 10.805 -1.807 -9.292 419 HA3 GLY 57 HA1 GLY 57 12.309 -0.959 -8.957 420 H VAL 58 HN VAL 58 9.739 -1.772 -6.708 421 HA VAL 58 HA VAL 58 11.720 -3.290 -5.175 422 HB VAL 58 HB VAL 58 10.370 -2.964 -3.151 423 HG11 VAL 58 HG11 VAL 58 10.672 -0.554 -2.853 424 HG12 VAL 58 HG12 VAL 58 10.903 -0.376 -4.591 425 HG13 VAL 58 HG13 VAL 58 12.061 -1.305 -3.638 426 HG21 VAL 58 HG21 VAL 58 8.529 -1.324 -4.894 427 HG22 VAL 58 HG22 VAL 58 8.430 -1.456 -3.138 428 HG23 VAL 58 HG23 VAL 58 8.147 -2.875 -4.147 429 H SER 59 HN SER 59 10.455 -5.022 -3.641 430 HA SER 59 HA SER 59 8.512 -6.416 -5.295 431 HB2 SER 59 HB2 SER 59 11.016 -7.720 -4.199 432 HB3 SER 59 HB1 SER 59 9.754 -8.498 -5.160 433 HG SER 59 HG SER 59 10.258 -6.846 -6.752 434 H ILE 60 HN ILE 60 6.868 -6.795 -4.049 435 HA ILE 60 HA ILE 60 7.227 -7.238 -1.171 436 HB ILE 60 HB ILE 60 4.733 -6.577 -2.770 437 HG12 ILE 60 HG12 ILE 60 6.333 -4.865 -0.856 438 HG13 ILE 60 HG11 ILE 60 6.341 -4.714 -2.609 439 HG21 ILE 60 HG21 ILE 60 3.627 -6.266 -0.596 440 HG22 ILE 60 HG22 ILE 60 5.089 -6.818 0.224 441 HG23 ILE 60 HG23 ILE 60 4.187 -7.927 -0.808 442 HD11 ILE 60 HD11 ILE 60 3.970 -4.298 -0.810 443 HD12 ILE 60 HD12 ILE 60 3.982 -4.132 -2.568 444 HD13 ILE 60 HD13 ILE 60 4.944 -3.038 -1.571 445 HA PRO 61 HA PRO 61 6.386 -11.613 -1.963 446 HB2 PRO 61 HB2 PRO 61 5.695 -11.439 0.944 447 HB3 PRO 61 HB1 PRO 61 6.765 -12.581 0.111 448 HG2 PRO 61 HG2 PRO 61 7.799 -10.643 1.586 449 HG3 PRO 61 HG1 PRO 61 8.532 -11.058 0.026 450 HD2 PRO 61 HD2 PRO 61 6.750 -8.765 0.727 451 HD3 PRO 61 HD1 PRO 61 8.189 -8.790 -0.312 452 H ASP 62 HN ASP 62 4.479 -12.378 -2.695 453 HA ASP 62 HA ASP 62 2.085 -10.948 -2.488 454 HB2 ASP 62 HB2 ASP 62 0.944 -12.760 -3.616 455 HB3 ASP 62 HB1 ASP 62 2.513 -12.512 -4.358 456 H ASP 63 HN ASP 63 3.343 -13.462 -0.460 457 HA ASP 63 HA ASP 63 0.876 -14.010 0.895 458 HB2 ASP 63 HB2 ASP 63 3.697 -14.350 1.940 459 HB3 ASP 63 HB1 ASP 63 2.249 -14.986 2.691 460 H VAL 64 HN VAL 64 3.418 -11.691 1.206 461 HA VAL 64 HA VAL 64 2.618 -10.843 3.814 462 HB VAL 64 HB VAL 64 4.573 -9.547 1.880 463 HG11 VAL 64 HG11 VAL 64 5.369 -8.269 3.812 464 HG12 VAL 64 HG12 VAL 64 4.100 -8.981 4.810 465 HG13 VAL 64 HG13 VAL 64 3.674 -7.911 3.477 466 HG21 VAL 64 HG21 VAL 64 5.013 -11.268 4.308 467 HG22 VAL 64 HG22 VAL 64 6.277 -10.492 3.352 468 HG23 VAL 64 HG23 VAL 64 5.269 -11.747 2.630 469 H ALA 65 HN ALA 65 2.022 -9.847 0.518 470 HA ALA 65 HA ALA 65 0.782 -7.394 1.119 471 HB1 ALA 65 HB1 ALA 65 0.209 -9.253 -1.212 472 HB2 ALA 65 HB2 ALA 65 1.390 -7.943 -1.186 473 HB3 ALA 65 HB3 ALA 65 -0.327 -7.581 -1.096 474 H GLY 66 HN GLY 66 -0.325 -10.646 1.492 475 HA2 GLY 66 HA2 GLY 66 -3.051 -9.755 2.095 476 HA3 GLY 66 HA1 GLY 66 -2.496 -11.425 2.019 477 H ARG 67 HN ARG 67 -0.151 -10.040 3.678 478 HA ARG 67 HA ARG 67 -1.363 -10.714 6.252 479 HB2 ARG 67 HB2 ARG 67 1.509 -10.794 5.320 480 HB3 ARG 67 HB1 ARG 67 1.090 -10.858 7.035 481 HG2 ARG 67 HG2 ARG 67 -0.210 -12.862 6.660 482 HG3 ARG 67 HG1 ARG 67 0.090 -12.758 4.929 483 HD2 ARG 67 HD2 ARG 67 2.502 -13.064 5.361 484 HD3 ARG 67 HD1 ARG 67 2.153 -13.224 7.084 485 HE ARG 67 HE ARG 67 0.623 -15.112 6.258 486 HH11 ARG 67 HH11 ARG 67 3.924 -14.426 5.089 487 HH12 ARG 67 HH12 ARG 67 4.150 -15.966 4.406 488 HH21 ARG 67 HH21 ARG 67 1.012 -17.282 5.360 489 HH22 ARG 67 HH22 ARG 67 2.471 -17.617 4.571 490 H VAL 68 HN VAL 68 -0.335 -8.079 4.480 491 HA VAL 68 HA VAL 68 0.177 -6.400 6.757 492 HB VAL 68 HB VAL 68 0.182 -4.522 5.057 493 HG11 VAL 68 HG11 VAL 68 1.983 -6.855 4.456 494 HG12 VAL 68 HG12 VAL 68 2.243 -5.622 5.689 495 HG13 VAL 68 HG13 VAL 68 2.272 -5.183 3.981 496 HG21 VAL 68 HG21 VAL 68 0.224 -5.089 2.679 497 HG22 VAL 68 HG22 VAL 68 -1.329 -5.507 3.404 498 HG23 VAL 68 HG23 VAL 68 -0.146 -6.769 3.064 499 H ASP 69 HN ASP 69 -1.360 -5.771 7.984 500 HA ASP 69 HA ASP 69 -4.057 -5.661 6.855 501 HB2 ASP 69 HB2 ASP 69 -3.233 -5.694 9.760 502 HB3 ASP 69 HB1 ASP 69 -4.892 -5.557 9.196 503 H THR 70 HN THR 70 -1.814 -3.652 8.662 504 HA THR 70 HA THR 70 -3.682 -1.470 8.182 505 HB THR 70 HB THR 70 -2.149 -0.154 9.731 506 HG1 THR 70 HG1 THR 70 -1.284 -2.744 10.540 507 HG21 THR 70 HG21 THR 70 -3.621 -2.546 10.839 508 HG22 THR 70 HG22 THR 70 -4.323 -0.975 10.454 509 HG23 THR 70 HG23 THR 70 -3.153 -1.121 11.767 510 HA PRO 71 HA PRO 71 -1.455 0.268 4.823 511 HB2 PRO 71 HB2 PRO 71 -1.968 2.847 6.239 512 HB3 PRO 71 HB1 PRO 71 -2.268 2.415 4.547 513 HG2 PRO 71 HG2 PRO 71 -4.291 2.504 6.211 514 HG3 PRO 71 HG1 PRO 71 -4.154 1.140 5.083 515 HD2 PRO 71 HD2 PRO 71 -3.493 1.264 7.996 516 HD3 PRO 71 HD1 PRO 71 -4.325 -0.020 7.100 517 H ARG 72 HN ARG 72 -0.767 1.881 7.921 518 HA ARG 72 HA ARG 72 1.812 2.736 7.403 519 HB2 ARG 72 HB2 ARG 72 0.816 3.539 9.334 520 HB3 ARG 72 HB1 ARG 72 0.410 1.999 9.998 521 HG2 ARG 72 HG2 ARG 72 2.835 1.631 10.421 522 HG3 ARG 72 HG1 ARG 72 3.117 3.284 9.856 523 HD2 ARG 72 HD2 ARG 72 1.279 2.500 12.118 524 HD3 ARG 72 HD1 ARG 72 2.896 3.188 12.305 525 HE ARG 72 HE ARG 72 1.857 4.995 10.800 526 HH11 ARG 72 HH11 ARG 72 0.123 3.387 13.473 527 HH12 ARG 72 HH12 ARG 72 -0.727 4.756 13.967 528 HH21 ARG 72 HH21 ARG 72 0.790 6.952 11.593 529 HH22 ARG 72 HH22 ARG 72 -0.312 6.897 12.868 530 H GLU 73 HN GLU 73 0.776 -0.460 8.428 531 HA GLU 73 HA GLU 73 3.338 -1.582 8.779 532 HB2 GLU 73 HB2 GLU 73 1.401 -2.585 9.768 533 HB3 GLU 73 HB1 GLU 73 0.635 -2.771 8.203 534 HG2 GLU 73 HG2 GLU 73 2.207 -4.470 7.589 535 HG3 GLU 73 HG1 GLU 73 3.116 -4.212 9.083 536 H LEU 74 HN LEU 74 1.122 -1.493 6.026 537 HA LEU 74 HA LEU 74 2.761 -3.006 4.266 538 HB2 LEU 74 HB2 LEU 74 0.310 -2.726 3.980 539 HB3 LEU 74 HB1 LEU 74 0.527 -1.028 3.678 540 HG LEU 74 HG LEU 74 -0.033 -2.564 1.703 541 HD11 LEU 74 HD11 LEU 74 2.409 -0.794 1.467 542 HD12 LEU 74 HD12 LEU 74 0.728 -0.267 1.358 543 HD13 LEU 74 HD13 LEU 74 1.398 -1.336 0.127 544 HD21 LEU 74 HD21 LEU 74 1.871 -3.665 0.600 545 HD22 LEU 74 HD22 LEU 74 1.528 -4.361 2.184 546 HD23 LEU 74 HD23 LEU 74 2.890 -3.261 1.982 547 H LEU 75 HN LEU 75 2.443 0.400 4.947 548 HA LEU 75 HA LEU 75 4.121 1.546 3.053 549 HB2 LEU 75 HB2 LEU 75 2.702 2.800 4.612 550 HB3 LEU 75 HB1 LEU 75 3.718 2.307 5.945 551 HG LEU 75 HG LEU 75 5.587 3.594 4.973 552 HD11 LEU 75 HD11 LEU 75 4.947 3.482 2.644 553 HD12 LEU 75 HD12 LEU 75 5.117 5.166 3.152 554 HD13 LEU 75 HD13 LEU 75 3.513 4.448 2.976 555 HD21 LEU 75 HD21 LEU 75 3.039 5.155 5.386 556 HD22 LEU 75 HD22 LEU 75 4.677 5.810 5.478 557 HD23 LEU 75 HD23 LEU 75 4.139 4.609 6.652 558 H ASP 76 HN ASP 76 4.904 0.398 6.323 559 HA ASP 76 HA ASP 76 7.660 0.881 6.251 560 HB2 ASP 76 HB2 ASP 76 6.513 0.416 8.338 561 HB3 ASP 76 HB1 ASP 76 6.153 -1.221 7.808 562 H LEU 77 HN LEU 77 5.797 -1.794 5.077 563 HA LEU 77 HA LEU 77 7.888 -3.663 4.746 564 HB2 LEU 77 HB2 LEU 77 5.330 -4.037 4.653 565 HB3 LEU 77 HB1 LEU 77 5.415 -3.446 3.014 566 HG LEU 77 HG LEU 77 5.250 -5.901 3.159 567 HD11 LEU 77 HD11 LEU 77 7.875 -4.996 2.005 568 HD12 LEU 77 HD12 LEU 77 6.314 -4.985 1.188 569 HD13 LEU 77 HD13 LEU 77 7.057 -6.519 1.647 570 HD21 LEU 77 HD21 LEU 77 7.147 -7.220 3.965 571 HD22 LEU 77 HD22 LEU 77 6.410 -6.251 5.241 572 HD23 LEU 77 HD23 LEU 77 7.931 -5.737 4.512 573 H ILE 78 HN ILE 78 6.509 -1.192 2.602 574 HA ILE 78 HA ILE 78 8.323 -1.872 0.495 575 HB ILE 78 HB ILE 78 6.604 0.628 0.716 576 HG12 ILE 78 HG12 ILE 78 6.090 -2.058 -0.580 577 HG13 ILE 78 HG11 ILE 78 5.244 -1.373 0.799 578 HG21 ILE 78 HG21 ILE 78 6.904 0.766 -1.726 579 HG22 ILE 78 HG22 ILE 78 7.956 -0.649 -1.682 580 HG23 ILE 78 HG23 ILE 78 8.460 0.846 -0.898 581 HD11 ILE 78 HD11 ILE 78 4.359 0.398 -0.662 582 HD12 ILE 78 HD12 ILE 78 3.903 -1.227 -1.189 583 HD13 ILE 78 HD13 ILE 78 5.184 -0.363 -2.029 584 H ASN 79 HN ASN 79 8.227 0.459 3.070 585 HA ASN 79 HA ASN 79 10.452 1.966 2.222 586 HB2 ASN 79 HB2 ASN 79 9.254 1.591 4.969 587 HB3 ASN 79 HB1 ASN 79 10.662 2.616 4.692 588 HD21 ASN 79 HD21 ASN 79 8.057 3.467 5.644 589 HD22 ASN 79 HD22 ASN 79 7.464 4.577 4.463 590 H GLY 80 HN GLY 80 10.215 -0.982 4.050 591 HA2 GLY 80 HA2 GLY 80 12.992 -1.189 4.622 592 HA3 GLY 80 HA1 GLY 80 11.821 -2.506 4.658 593 H ALA 81 HN ALA 81 10.981 -2.031 1.920 594 HA ALA 81 HA ALA 81 12.916 -3.639 0.561 595 HB1 ALA 81 HB1 ALA 81 11.397 -3.480 -1.362 596 HB2 ALA 81 HB2 ALA 81 10.476 -2.222 -0.536 597 HB3 ALA 81 HB3 ALA 81 10.507 -3.857 0.113 598 H LEU 82 HN LEU 82 11.959 -0.258 0.460 599 HA LEU 82 HA LEU 82 13.374 0.681 -1.738 600 HB2 LEU 82 HB2 LEU 82 12.792 2.086 0.859 601 HB3 LEU 82 HB1 LEU 82 13.402 2.882 -0.570 602 HG LEU 82 HG LEU 82 10.717 1.524 -0.323 603 HD11 LEU 82 HD11 LEU 82 11.477 4.436 -0.464 604 HD12 LEU 82 HD12 LEU 82 10.870 3.587 0.955 605 HD13 LEU 82 HD13 LEU 82 9.834 3.797 -0.458 606 HD21 LEU 82 HD21 LEU 82 10.260 2.518 -2.510 607 HD22 LEU 82 HD22 LEU 82 11.614 1.388 -2.592 608 HD23 LEU 82 HD23 LEU 82 11.914 3.126 -2.581 609 H ALA 83 HN ALA 83 14.562 -0.309 1.301 610 HA ALA 83 HA ALA 83 16.906 1.181 1.538 611 HB1 ALA 83 HB1 ALA 83 16.352 -1.614 2.494 612 HB2 ALA 83 HB2 ALA 83 15.926 -0.124 3.338 613 HB3 ALA 83 HB3 ALA 83 17.620 -0.539 3.083 614 H GLU 84 HN GLU 84 16.213 -1.704 -0.343 615 HA GLU 84 HA GLU 84 18.988 -1.599 -1.307 616 HB2 GLU 84 HB2 GLU 84 17.407 -4.066 -0.632 617 HB3 GLU 84 HB1 GLU 84 18.929 -4.089 -1.514 618 HG2 GLU 84 HG2 GLU 84 20.110 -3.204 0.358 619 HG3 GLU 84 HG1 GLU 84 18.606 -2.900 1.226 620 H ALA 85 HN ALA 85 15.628 -2.275 -2.089 621 HA ALA 85 HA ALA 85 16.165 -3.028 -4.772 622 HB1 ALA 85 HB1 ALA 85 14.141 -3.735 -3.595 623 HB2 ALA 85 HB2 ALA 85 13.762 -2.892 -5.095 624 HB3 ALA 85 HB3 ALA 85 13.586 -2.063 -3.548 625 H ALA 86 HN ALA 86 15.371 0.050 -3.215 626 HA ALA 86 HA ALA 86 15.637 1.359 -5.804 627 HB1 ALA 86 HB1 ALA 86 14.707 2.462 -3.141 628 HB2 ALA 86 HB2 ALA 86 13.659 1.971 -4.470 629 HB3 ALA 86 HB3 ALA 86 14.742 3.349 -4.664 630 H281 PSR 87 H28A PSR 87 -7.663 -10.908 -6.628 631 H282 PSR 87 H28B PSR 87 -7.262 -9.831 -5.291 632 H301 PSR 87 H30A PSR 87 -4.009 -10.985 -6.326 633 H302 PSR 87 H30B PSR 87 -4.989 -9.635 -5.770 634 H303 PSR 87 H30C PSR 87 -5.389 -10.437 -7.301 635 H311 PSR 87 H31A PSR 87 -6.093 -12.033 -3.457 636 H312 PSR 87 H31B PSR 87 -5.372 -10.445 -3.720 637 H313 PSR 87 H31C PSR 87 -4.426 -11.896 -4.022 638 H321 PSR 87 H32A PSR 87 -4.835 -13.325 -6.118 639 H331 PSR 87 H33A PSR 87 -7.162 -13.310 -7.492 640 H361 PSR 87 H36A PSR 87 -5.531 -14.008 -3.914 641 H371 PSR 87 H37A PSR 87 -8.180 -15.082 -3.449 642 H372 PSR 87 H37B PSR 87 -6.912 -16.293 -3.662 643 H381 PSR 87 H38A PSR 87 -7.262 -15.768 -1.279 644 H382 PSR 87 H38B PSR 87 -5.645 -15.316 -1.810 645 H411 PSR 87 H41A PSR 87 -5.323 -13.820 -0.240 646 H421 PSR 87 H42A PSR 87 -6.978 -11.416 -0.372 647 H422 PSR 87 H42B PSR 87 -6.126 -11.922 1.112 648 H431 PSR 87 H43A PSR 87 -4.789 -11.363 -1.524 649 H432 PSR 87 H43B PSR 87 -4.003 -11.361 0.076 650 HC21 PSR 87 H2A PSR 87 -3.036 -10.878 -1.309 651 HC22 PSR 87 H2B PSR 87 -1.820 -9.646 -1.050 652 HC31 PSR 87 H3A PSR 87 -1.925 -9.001 -3.401 653 HC32 PSR 87 H3B PSR 87 -3.203 -10.200 -3.675 654 HC41 PSR 87 H4C PSR 87 -1.656 -11.971 -3.013 655 HC42 PSR 87 H4A PSR 87 -0.394 -10.769 -2.749 656 HC43 PSR 87 H4B PSR 87 -1.021 -11.042 -4.374 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 20.529 9.375 1.131 2 H2 MET 1 HT2 MET 1 20.517 11.054 1.364 3 H3 MET 1 HT3 MET 1 20.363 10.392 -0.178 4 HA MET 1 HA MET 1 18.394 9.937 1.962 5 HB2 MET 1 HB2 MET 1 18.311 11.776 -0.428 6 HB3 MET 1 HB1 MET 1 16.887 11.286 0.467 7 HG2 MET 1 HG2 MET 1 17.800 12.347 2.467 8 HG3 MET 1 HG1 MET 1 19.206 12.865 1.535 9 HE1 MET 1 HE1 MET 1 17.234 14.828 3.205 10 HE2 MET 1 HE2 MET 1 17.147 16.183 2.078 11 HE3 MET 1 HE3 MET 1 18.684 15.364 2.356 12 H ALA 2 HN ALA 2 16.616 8.761 1.305 13 HA ALA 2 HA ALA 2 16.712 7.533 -1.334 14 HB1 ALA 2 HB1 ALA 2 15.885 5.461 -0.305 15 HB2 ALA 2 HB2 ALA 2 16.013 6.200 1.286 16 HB3 ALA 2 HB3 ALA 2 17.473 5.892 0.337 17 H THR 3 HN THR 3 14.789 7.602 -2.308 18 HA THR 3 HA THR 3 12.749 9.211 -1.189 19 HB THR 3 HB THR 3 13.144 9.352 -3.526 20 HG1 THR 3 HG1 THR 3 10.708 8.928 -2.706 21 HG21 THR 3 HG21 THR 3 12.626 6.390 -3.740 22 HG22 THR 3 HG22 THR 3 14.178 7.204 -3.953 23 HG23 THR 3 HG23 THR 3 12.872 7.478 -5.107 24 H LEU 4 HN LEU 4 11.615 8.462 0.441 25 HA LEU 4 HA LEU 4 10.709 5.679 0.448 26 HB2 LEU 4 HB2 LEU 4 10.739 7.723 2.671 27 HB3 LEU 4 HB1 LEU 4 10.219 6.058 2.818 28 HG LEU 4 HG LEU 4 13.032 7.015 2.292 29 HD11 LEU 4 HD11 LEU 4 13.484 6.046 4.472 30 HD12 LEU 4 HD12 LEU 4 11.762 5.680 4.665 31 HD13 LEU 4 HD13 LEU 4 12.307 7.356 4.569 32 HD21 LEU 4 HD21 LEU 4 11.979 4.208 2.610 33 HD22 LEU 4 HD22 LEU 4 13.678 4.666 2.503 34 HD23 LEU 4 HD23 LEU 4 12.605 4.918 1.122 35 H LEU 5 HN LEU 5 8.511 5.458 1.453 36 HA LEU 5 HA LEU 5 6.714 7.209 0.007 37 HB2 LEU 5 HB2 LEU 5 6.231 4.724 1.621 38 HB3 LEU 5 HB1 LEU 5 5.011 5.613 0.749 39 HG LEU 5 HG LEU 5 7.326 4.145 -0.493 40 HD11 LEU 5 HD11 LEU 5 4.384 3.554 -0.319 41 HD12 LEU 5 HD12 LEU 5 5.657 2.689 0.545 42 HD13 LEU 5 HD13 LEU 5 5.565 2.601 -1.217 43 HD21 LEU 5 HD21 LEU 5 6.688 6.001 -1.864 44 HD22 LEU 5 HD22 LEU 5 4.981 5.634 -1.631 45 HD23 LEU 5 HD23 LEU 5 5.995 4.525 -2.553 46 H THR 6 HN THR 6 5.813 8.844 1.013 47 HA THR 6 HA THR 6 5.651 8.783 3.912 48 HB THR 6 HB THR 6 4.949 11.165 3.688 49 HG1 THR 6 HG1 THR 6 5.507 10.745 0.899 50 HG21 THR 6 HG21 THR 6 7.133 12.044 2.956 51 HG22 THR 6 HG22 THR 6 7.517 10.484 2.236 52 HG23 THR 6 HG23 THR 6 7.332 10.625 3.986 53 H THR 7 HN THR 7 3.405 10.123 4.524 54 HA THR 7 HA THR 7 1.273 8.439 4.202 55 HB THR 7 HB THR 7 1.015 11.423 4.454 56 HG1 THR 7 HG1 THR 7 1.309 10.272 6.871 57 HG21 THR 7 HG21 THR 7 -1.055 10.094 4.459 58 HG22 THR 7 HG22 THR 7 -0.772 10.808 6.048 59 HG23 THR 7 HG23 THR 7 -0.420 9.103 5.772 60 H ASP 8 HN ASP 8 1.983 11.477 2.479 61 HA ASP 8 HA ASP 8 -0.137 11.459 0.664 62 HB2 ASP 8 HB2 ASP 8 1.222 13.439 1.056 63 HB3 ASP 8 HB1 ASP 8 2.619 12.650 0.337 64 H ASP 9 HN ASP 9 3.116 10.011 0.316 65 HA ASP 9 HA ASP 9 2.864 9.303 -2.432 66 HB2 ASP 9 HB2 ASP 9 4.550 7.961 -0.287 67 HB3 ASP 9 HB1 ASP 9 4.622 7.568 -1.987 68 H LEU 10 HN LEU 10 2.246 7.603 0.563 69 HA LEU 10 HA LEU 10 1.429 5.184 -0.617 70 HB2 LEU 10 HB2 LEU 10 2.117 5.461 1.753 71 HB3 LEU 10 HB1 LEU 10 0.633 6.338 2.053 72 HG LEU 10 HG LEU 10 -0.641 4.299 1.414 73 HD11 LEU 10 HD11 LEU 10 1.038 3.200 0.048 74 HD12 LEU 10 HD12 LEU 10 0.526 2.150 1.369 75 HD13 LEU 10 HD13 LEU 10 2.075 2.990 1.459 76 HD21 LEU 10 HD21 LEU 10 -0.212 3.107 3.502 77 HD22 LEU 10 HD22 LEU 10 -0.243 4.855 3.745 78 HD23 LEU 10 HD23 LEU 10 1.299 3.998 3.694 79 H ARG 11 HN ARG 11 -0.363 7.988 0.621 80 HA ARG 11 HA ARG 11 -2.949 7.075 0.329 81 HB2 ARG 11 HB2 ARG 11 -2.172 9.265 1.369 82 HB3 ARG 11 HB1 ARG 11 -2.197 9.922 -0.267 83 HG2 ARG 11 HG2 ARG 11 -4.646 8.726 -0.094 84 HG3 ARG 11 HG1 ARG 11 -4.385 9.307 1.554 85 HD2 ARG 11 HD2 ARG 11 -4.295 10.925 -0.992 86 HD3 ARG 11 HD1 ARG 11 -5.542 10.982 0.247 87 HE ARG 11 HE ARG 11 -3.686 11.809 1.747 88 HH11 ARG 11 HH11 ARG 11 -3.615 12.292 -1.761 89 HH12 ARG 11 HH12 ARG 11 -2.777 13.769 -1.677 90 HH21 ARG 11 HH21 ARG 11 -2.604 13.858 1.875 91 HH22 ARG 11 HH22 ARG 11 -2.147 14.682 0.460 92 H ARG 12 HN ARG 12 -1.033 8.895 -2.040 93 HA ARG 12 HA ARG 12 -3.030 8.900 -4.003 94 HB2 ARG 12 HB2 ARG 12 -1.290 9.512 -5.614 95 HB3 ARG 12 HB1 ARG 12 -1.219 10.473 -4.148 96 HG2 ARG 12 HG2 ARG 12 0.659 9.070 -3.376 97 HG3 ARG 12 HG1 ARG 12 0.604 8.211 -4.921 98 HD2 ARG 12 HD2 ARG 12 2.301 9.954 -4.962 99 HD3 ARG 12 HD1 ARG 12 0.999 10.315 -6.095 100 HE ARG 12 HE ARG 12 1.344 11.607 -3.461 101 HH11 ARG 12 HH11 ARG 12 0.055 11.690 -6.764 102 HH12 ARG 12 HH12 ARG 12 -0.340 13.337 -6.716 103 HH21 ARG 12 HH21 ARG 12 0.803 13.759 -3.374 104 HH22 ARG 12 HH22 ARG 12 0.100 14.598 -4.714 105 H ALA 13 HN ALA 13 -0.641 6.462 -3.250 106 HA ALA 13 HA ALA 13 -1.049 4.902 -5.588 107 HB1 ALA 13 HB1 ALA 13 -0.101 4.046 -2.858 108 HB2 ALA 13 HB2 ALA 13 0.922 4.635 -4.170 109 HB3 ALA 13 HB3 ALA 13 0.049 3.113 -4.346 110 H LEU 14 HN LEU 14 -2.427 4.889 -2.354 111 HA LEU 14 HA LEU 14 -4.207 2.721 -2.692 112 HB2 LEU 14 HB2 LEU 14 -4.194 5.128 -0.882 113 HB3 LEU 14 HB1 LEU 14 -5.598 4.102 -0.942 114 HG LEU 14 HG LEU 14 -4.195 3.660 1.009 115 HD11 LEU 14 HD11 LEU 14 -4.006 1.260 0.829 116 HD12 LEU 14 HD12 LEU 14 -4.226 1.378 -0.920 117 HD13 LEU 14 HD13 LEU 14 -5.524 1.866 0.169 118 HD21 LEU 14 HD21 LEU 14 -2.017 4.191 0.117 119 HD22 LEU 14 HD22 LEU 14 -2.099 2.791 -0.951 120 HD23 LEU 14 HD23 LEU 14 -2.040 2.567 0.801 121 H VAL 15 HN VAL 15 -4.785 6.220 -2.877 122 HA VAL 15 HA VAL 15 -7.371 5.996 -3.860 123 HB VAL 15 HB VAL 15 -5.471 8.380 -3.799 124 HG11 VAL 15 HG11 VAL 15 -7.338 9.825 -4.416 125 HG12 VAL 15 HG12 VAL 15 -8.370 8.418 -4.674 126 HG13 VAL 15 HG13 VAL 15 -6.992 8.709 -5.736 127 HG21 VAL 15 HG21 VAL 15 -6.334 7.584 -1.709 128 HG22 VAL 15 HG22 VAL 15 -7.984 7.703 -2.321 129 HG23 VAL 15 HG23 VAL 15 -7.009 9.161 -2.115 130 H GLU 16 HN GLU 16 -4.482 5.557 -5.547 131 HA GLU 16 HA GLU 16 -5.406 6.033 -8.206 132 HB2 GLU 16 HB2 GLU 16 -3.006 5.836 -7.533 133 HB3 GLU 16 HB1 GLU 16 -3.269 4.134 -7.205 134 HG2 GLU 16 HG2 GLU 16 -2.169 4.439 -9.324 135 HG3 GLU 16 HG1 GLU 16 -3.783 3.766 -9.561 136 H SER 17 HN SER 17 -4.946 3.088 -6.268 137 HA SER 17 HA SER 17 -6.374 1.407 -8.065 138 HB2 SER 17 HB2 SER 17 -6.047 -0.282 -6.170 139 HB3 SER 17 HB1 SER 17 -4.601 0.491 -6.790 140 HG SER 17 HG SER 17 -5.605 2.023 -4.816 141 H ALA 18 HN ALA 18 -7.324 3.589 -5.700 142 HA ALA 18 HA ALA 18 -9.864 2.361 -5.086 143 HB1 ALA 18 HB1 ALA 18 -10.294 4.375 -3.793 144 HB2 ALA 18 HB2 ALA 18 -8.854 5.132 -4.465 145 HB3 ALA 18 HB3 ALA 18 -8.698 3.731 -3.400 146 H GLY 19 HN GLY 19 -8.710 3.597 -7.784 147 HA2 GLY 19 HA2 GLY 19 -10.943 5.267 -8.545 148 HA3 GLY 19 HA1 GLY 19 -9.608 4.746 -9.579 149 H GLU 20 HN GLU 20 -11.465 2.583 -7.603 150 HA GLU 20 HA GLU 20 -13.026 1.611 -9.819 151 HB2 GLU 20 HB2 GLU 20 -10.813 0.379 -9.795 152 HB3 GLU 20 HB1 GLU 20 -11.248 -0.221 -8.202 153 HG2 GLU 20 HG2 GLU 20 -11.734 -1.891 -9.857 154 HG3 GLU 20 HG1 GLU 20 -13.250 -1.273 -9.194 155 H THR 21 HN THR 21 -14.796 2.233 -8.738 156 HA THR 21 HA THR 21 -16.640 1.923 -7.547 157 HB THR 21 HB THR 21 -15.339 -0.413 -6.105 158 HG1 THR 21 HG1 THR 21 -15.631 -1.544 -7.815 159 HG21 THR 21 HG21 THR 21 -17.666 -1.223 -5.940 160 HG22 THR 21 HG22 THR 21 -18.233 0.222 -6.776 161 HG23 THR 21 HG23 THR 21 -17.505 0.360 -5.177 162 H ASP 22 HN ASP 22 -15.315 3.965 -6.803 163 HA ASP 22 HA ASP 22 -16.148 4.302 -4.085 164 HB2 ASP 22 HB2 ASP 22 -13.679 3.623 -3.864 165 HB3 ASP 22 HB1 ASP 22 -13.278 5.058 -4.803 166 H GLY 23 HN GLY 23 -16.396 6.624 -3.682 167 HA2 GLY 23 HA2 GLY 23 -16.925 8.044 -6.109 168 HA3 GLY 23 HA1 GLY 23 -17.128 8.645 -4.463 169 H THR 24 HN THR 24 -15.445 9.625 -3.435 170 HA THR 24 HA THR 24 -12.912 9.946 -4.818 171 HB THR 24 HB THR 24 -13.160 12.499 -4.204 172 HG1 THR 24 HG1 THR 24 -15.190 12.378 -3.240 173 HG21 THR 24 HG21 THR 24 -14.011 13.000 -6.466 174 HG22 THR 24 HG22 THR 24 -14.552 11.330 -6.626 175 HG23 THR 24 HG23 THR 24 -12.830 11.689 -6.501 176 H ASP 25 HN ASP 25 -13.387 8.457 -2.497 177 HA ASP 25 HA ASP 25 -12.466 10.278 -0.418 178 HB2 ASP 25 HB2 ASP 25 -14.231 7.833 -0.173 179 HB3 ASP 25 HB1 ASP 25 -13.408 8.478 1.241 180 H LEU 26 HN LEU 26 -11.701 7.702 1.316 181 HA LEU 26 HA LEU 26 -9.785 6.879 1.922 182 HB2 LEU 26 HB2 LEU 26 -10.156 5.869 -0.568 183 HB3 LEU 26 HB1 LEU 26 -8.743 6.845 -0.911 184 HG LEU 26 HG LEU 26 -8.854 4.698 1.186 185 HD11 LEU 26 HD11 LEU 26 -9.196 3.739 -1.017 186 HD12 LEU 26 HD12 LEU 26 -7.592 3.325 -0.413 187 HD13 LEU 26 HD13 LEU 26 -7.778 4.591 -1.627 188 HD21 LEU 26 HD21 LEU 26 -7.120 6.350 1.569 189 HD22 LEU 26 HD22 LEU 26 -6.533 6.134 -0.081 190 HD23 LEU 26 HD23 LEU 26 -6.413 4.810 1.082 191 H SER 27 HN SER 27 -10.211 9.275 2.203 192 HA SER 27 HA SER 27 -8.676 11.237 0.769 193 HB2 SER 27 HB2 SER 27 -9.955 12.658 2.506 194 HB3 SER 27 HB1 SER 27 -10.848 11.840 1.215 195 HG SER 27 HG SER 27 -10.785 11.311 3.960 196 H GLY 28 HN GLY 28 -6.871 9.638 2.049 197 HA2 GLY 28 HA2 GLY 28 -4.888 10.158 3.255 198 HA3 GLY 28 HA1 GLY 28 -5.711 11.562 3.916 199 H ASP 29 HN ASP 29 -7.996 10.230 4.974 200 HA ASP 29 HA ASP 29 -6.760 8.961 7.250 201 HB2 ASP 29 HB2 ASP 29 -8.616 10.477 7.736 202 HB3 ASP 29 HB1 ASP 29 -9.690 9.521 6.713 203 H PHE 30 HN PHE 30 -6.064 7.115 6.786 204 HA PHE 30 HA PHE 30 -7.842 4.914 6.264 205 HB2 PHE 30 HB2 PHE 30 -7.149 4.285 3.998 206 HB3 PHE 30 HB1 PHE 30 -7.485 5.978 3.991 207 HD1 PHE 30 HD2 PHE 30 -5.791 7.662 3.823 208 HD2 PHE 30 HD1 PHE 30 -4.773 3.554 3.687 209 HE1 PHE 30 HE2 PHE 30 -3.563 8.254 2.998 210 HE2 PHE 30 HE1 PHE 30 -2.530 4.137 2.859 211 HZ PHE 30 HZ PHE 30 -1.925 6.512 2.522 212 H LEU 31 HN LEU 31 -4.706 6.277 6.685 213 HA LEU 31 HA LEU 31 -2.945 4.230 6.406 214 HB2 LEU 31 HB2 LEU 31 -2.349 6.531 6.572 215 HB3 LEU 31 HB1 LEU 31 -2.814 6.582 8.265 216 HG LEU 31 HG LEU 31 -0.977 4.925 8.722 217 HD11 LEU 31 HD11 LEU 31 -0.230 5.537 5.873 218 HD12 LEU 31 HD12 LEU 31 -0.787 3.986 6.498 219 HD13 LEU 31 HD13 LEU 31 0.757 4.647 7.032 220 HD21 LEU 31 HD21 LEU 31 0.823 6.571 8.556 221 HD22 LEU 31 HD22 LEU 31 -0.673 7.307 9.131 222 HD23 LEU 31 HD23 LEU 31 -0.161 7.537 7.457 223 H ASP 32 HN ASP 32 -4.857 4.893 9.304 224 HA ASP 32 HA ASP 32 -3.387 2.707 10.640 225 HB2 ASP 32 HB2 ASP 32 -5.070 4.869 11.911 226 HB3 ASP 32 HB1 ASP 32 -4.144 3.640 12.759 227 H LEU 33 HN LEU 33 -5.996 3.097 8.899 228 HA LEU 33 HA LEU 33 -7.911 1.707 10.589 229 HB2 LEU 33 HB2 LEU 33 -8.500 3.706 9.216 230 HB3 LEU 33 HB1 LEU 33 -8.137 2.782 7.778 231 HG LEU 33 HG LEU 33 -10.004 1.275 8.270 232 HD11 LEU 33 HD11 LEU 33 -9.953 1.451 10.700 233 HD12 LEU 33 HD12 LEU 33 -11.560 1.834 10.073 234 HD13 LEU 33 HD13 LEU 33 -10.482 3.129 10.598 235 HD21 LEU 33 HD21 LEU 33 -11.789 2.885 7.854 236 HD22 LEU 33 HD22 LEU 33 -10.357 3.252 6.892 237 HD23 LEU 33 HD23 LEU 33 -10.717 4.200 8.336 238 H ARG 34 HN ARG 34 -8.929 -0.287 9.712 239 HA ARG 34 HA ARG 34 -7.039 -2.051 8.468 240 HB2 ARG 34 HB2 ARG 34 -9.917 -2.332 9.336 241 HB3 ARG 34 HB1 ARG 34 -9.122 -3.593 8.411 242 HG2 ARG 34 HG2 ARG 34 -7.988 -2.554 10.985 243 HG3 ARG 34 HG1 ARG 34 -9.176 -3.863 10.931 244 HD2 ARG 34 HD2 ARG 34 -6.701 -3.860 9.308 245 HD3 ARG 34 HD1 ARG 34 -6.685 -4.560 10.953 246 HE ARG 34 HE ARG 34 -8.752 -5.574 9.212 247 HH11 ARG 34 HH11 ARG 34 -5.411 -6.205 10.298 248 HH12 ARG 34 HH12 ARG 34 -5.363 -7.735 9.552 249 HH21 ARG 34 HH21 ARG 34 -8.633 -7.664 8.313 250 HH22 ARG 34 HH22 ARG 34 -7.211 -8.612 8.460 251 H PHE 35 HN PHE 35 -6.973 -2.755 6.367 252 HA PHE 35 HA PHE 35 -7.957 -1.247 4.250 253 HB2 PHE 35 HB2 PHE 35 -7.216 -4.181 4.297 254 HB3 PHE 35 HB1 PHE 35 -7.576 -3.293 2.828 255 HD1 PHE 35 HD2 PHE 35 -6.061 -1.376 2.197 256 HD2 PHE 35 HD1 PHE 35 -5.105 -4.171 5.251 257 HE1 PHE 35 HE2 PHE 35 -3.715 -0.688 2.081 258 HE2 PHE 35 HE1 PHE 35 -2.744 -3.486 5.149 259 HZ PHE 35 HZ PHE 35 -2.019 -1.881 3.396 260 H GLU 36 HN GLU 36 -9.285 -4.004 5.880 261 HA GLU 36 HA GLU 36 -11.489 -4.579 4.331 262 HB2 GLU 36 HB2 GLU 36 -11.261 -4.664 7.330 263 HB3 GLU 36 HB1 GLU 36 -12.544 -5.422 6.400 264 HG2 GLU 36 HG2 GLU 36 -10.826 -6.790 5.253 265 HG3 GLU 36 HG1 GLU 36 -9.618 -6.093 6.335 266 H ASP 37 HN ASP 37 -11.087 -1.903 6.631 267 HA ASP 37 HA ASP 37 -13.933 -1.318 6.462 268 HB2 ASP 37 HB2 ASP 37 -12.647 -0.960 8.603 269 HB3 ASP 37 HB1 ASP 37 -11.828 0.387 7.819 270 H ILE 38 HN ILE 38 -11.119 -0.445 4.771 271 HA ILE 38 HA ILE 38 -12.474 1.891 3.652 272 HB ILE 38 HB ILE 38 -10.383 2.398 2.395 273 HG12 ILE 38 HG12 ILE 38 -9.163 0.145 4.024 274 HG13 ILE 38 HG11 ILE 38 -9.431 0.090 2.290 275 HG21 ILE 38 HG21 ILE 38 -10.060 2.181 5.373 276 HG22 ILE 38 HG22 ILE 38 -10.807 3.504 4.479 277 HG23 ILE 38 HG23 ILE 38 -9.081 3.186 4.306 278 HD11 ILE 38 HD11 ILE 38 -7.112 0.537 2.786 279 HD12 ILE 38 HD12 ILE 38 -7.558 1.936 3.761 280 HD13 ILE 38 HD13 ILE 38 -7.838 1.953 2.021 281 H GLY 39 HN GLY 39 -13.002 -1.027 3.187 282 HA2 GLY 39 HA2 GLY 39 -13.995 -2.207 1.474 283 HA3 GLY 39 HA1 GLY 39 -13.931 -0.738 0.519 284 H TYR 40 HN TYR 40 -11.116 -2.363 1.878 285 HA TYR 40 HA TYR 40 -10.185 -2.643 -0.838 286 HB2 TYR 40 HB2 TYR 40 -8.751 -2.170 1.703 287 HB3 TYR 40 HB1 TYR 40 -8.014 -3.307 0.618 288 HD1 TYR 40 HD2 TYR 40 -9.986 -0.258 -0.189 289 HD2 TYR 40 HD1 TYR 40 -6.274 -2.291 -0.323 290 HE1 TYR 40 HE2 TYR 40 -9.082 1.493 -1.649 291 HE2 TYR 40 HE1 TYR 40 -5.369 -0.568 -1.781 292 HH TYR 40 HH TYR 40 -6.078 1.056 -3.244 293 H ASP 41 HN ASP 41 -10.742 -4.346 -1.766 294 HA ASP 41 HA ASP 41 -10.511 -6.915 -0.436 295 HB2 ASP 41 HB2 ASP 41 -11.421 -6.162 -3.240 296 HB3 ASP 41 HB1 ASP 41 -11.245 -7.821 -2.697 297 H SER 42 HN SER 42 -9.490 -8.575 -2.137 298 HA SER 42 HA SER 42 -6.786 -8.397 -2.014 299 HB2 SER 42 HB2 SER 42 -6.830 -10.178 -3.734 300 HB3 SER 42 HB1 SER 42 -8.035 -10.429 -2.459 301 H LEU 43 HN LEU 43 -8.783 -7.659 -4.820 302 HA LEU 43 HA LEU 43 -6.852 -6.973 -6.675 303 HB2 LEU 43 HB2 LEU 43 -9.039 -7.334 -7.445 304 HB3 LEU 43 HB1 LEU 43 -9.711 -6.117 -6.385 305 HG LEU 43 HG LEU 43 -8.702 -4.346 -7.742 306 HD11 LEU 43 HD11 LEU 43 -7.702 -6.563 -9.524 307 HD12 LEU 43 HD12 LEU 43 -6.726 -5.450 -8.548 308 HD13 LEU 43 HD13 LEU 43 -7.662 -4.836 -9.895 309 HD21 LEU 43 HD21 LEU 43 -10.946 -5.095 -8.275 310 HD22 LEU 43 HD22 LEU 43 -10.295 -6.337 -9.341 311 HD23 LEU 43 HD23 LEU 43 -10.082 -4.634 -9.744 312 H ALA 44 HN ALA 44 -8.710 -4.676 -4.689 313 HA ALA 44 HA ALA 44 -7.395 -2.417 -5.626 314 HB1 ALA 44 HB1 ALA 44 -8.689 -2.793 -2.933 315 HB2 ALA 44 HB2 ALA 44 -9.519 -2.338 -4.423 316 HB3 ALA 44 HB3 ALA 44 -8.327 -1.252 -3.708 317 H LEU 45 HN LEU 45 -6.698 -4.412 -2.778 318 HA LEU 45 HA LEU 45 -4.659 -2.728 -1.787 319 HB2 LEU 45 HB2 LEU 45 -5.944 -4.629 -0.587 320 HB3 LEU 45 HB1 LEU 45 -4.773 -5.707 -1.312 321 HG LEU 45 HG LEU 45 -4.119 -3.477 0.638 322 HD11 LEU 45 HD11 LEU 45 -4.252 -6.440 1.050 323 HD12 LEU 45 HD12 LEU 45 -5.332 -5.215 1.748 324 HD13 LEU 45 HD13 LEU 45 -3.611 -5.245 2.176 325 HD21 LEU 45 HD21 LEU 45 -2.267 -3.959 -0.832 326 HD22 LEU 45 HD22 LEU 45 -2.392 -5.680 -0.441 327 HD23 LEU 45 HD23 LEU 45 -1.937 -4.508 0.817 328 H MET 46 HN MET 46 -4.560 -5.581 -3.894 329 HA MET 46 HA MET 46 -1.725 -5.637 -3.996 330 HB2 MET 46 HB2 MET 46 -1.901 -7.361 -5.609 331 HB3 MET 46 HB1 MET 46 -3.263 -7.590 -4.538 332 HG2 MET 46 HG2 MET 46 -4.282 -7.901 -6.579 333 HG3 MET 46 HG1 MET 46 -4.495 -6.158 -6.325 334 HE1 MET 46 HE1 MET 46 -4.669 -7.730 -9.191 335 HE2 MET 46 HE2 MET 46 -3.891 -6.533 -10.229 336 HE3 MET 46 HE3 MET 46 -5.031 -6.018 -8.984 337 H GLU 47 HN GLU 47 -4.178 -4.006 -5.881 338 HA GLU 47 HA GLU 47 -2.459 -3.277 -7.991 339 HB2 GLU 47 HB2 GLU 47 -4.942 -3.375 -8.186 340 HB3 GLU 47 HB1 GLU 47 -5.065 -1.989 -7.118 341 HG2 GLU 47 HG2 GLU 47 -4.035 -0.579 -8.716 342 HG3 GLU 47 HG1 GLU 47 -3.649 -1.937 -9.773 343 H THR 48 HN THR 48 -3.275 -1.835 -4.901 344 HA THR 48 HA THR 48 -1.927 0.629 -5.140 345 HB THR 48 HB THR 48 -2.130 -1.193 -2.719 346 HG1 THR 48 HG1 THR 48 -4.046 0.315 -4.005 347 HG21 THR 48 HG21 THR 48 -0.512 0.592 -2.416 348 HG22 THR 48 HG22 THR 48 -1.936 0.883 -1.418 349 HG23 THR 48 HG23 THR 48 -1.708 1.787 -2.914 350 H ALA 49 HN ALA 49 -0.879 -2.470 -3.735 351 HA ALA 49 HA ALA 49 1.750 -1.821 -3.141 352 HB1 ALA 49 HB1 ALA 49 0.635 -3.847 -2.285 353 HB2 ALA 49 HB2 ALA 49 2.175 -4.218 -3.073 354 HB3 ALA 49 HB3 ALA 49 0.665 -4.526 -3.915 355 H ALA 50 HN ALA 50 0.450 -3.428 -6.003 356 HA ALA 50 HA ALA 50 2.763 -3.980 -7.376 357 HB1 ALA 50 HB1 ALA 50 1.403 -4.058 -9.374 358 HB2 ALA 50 HB2 ALA 50 0.125 -3.151 -8.562 359 HB3 ALA 50 HB3 ALA 50 0.541 -4.775 -8.013 360 H ARG 51 HN ARG 51 0.912 -0.969 -7.388 361 HA ARG 51 HA ARG 51 2.442 0.228 -9.447 362 HB2 ARG 51 HB2 ARG 51 0.126 0.997 -8.736 363 HB3 ARG 51 HB1 ARG 51 0.879 1.636 -7.300 364 HG2 ARG 51 HG2 ARG 51 1.907 3.355 -8.348 365 HG3 ARG 51 HG1 ARG 51 2.020 2.501 -9.887 366 HD2 ARG 51 HD2 ARG 51 -0.495 3.633 -8.675 367 HD3 ARG 51 HD1 ARG 51 0.422 4.350 -10.005 368 HE ARG 51 HE ARG 51 -1.067 1.806 -10.104 369 HH11 ARG 51 HH11 ARG 51 0.477 4.497 -11.844 370 HH12 ARG 51 HH12 ARG 51 -0.035 3.961 -13.369 371 HH21 ARG 51 HH21 ARG 51 -1.820 1.143 -12.173 372 HH22 ARG 51 HH22 ARG 51 -1.416 2.043 -13.557 373 H LEU 52 HN LEU 52 2.632 0.320 -5.955 374 HA LEU 52 HA LEU 52 4.782 2.156 -5.851 375 HB2 LEU 52 HB2 LEU 52 3.810 0.142 -3.830 376 HB3 LEU 52 HB1 LEU 52 5.021 1.373 -3.504 377 HG LEU 52 HG LEU 52 2.187 1.960 -4.357 378 HD11 LEU 52 HD11 LEU 52 2.222 0.958 -2.145 379 HD12 LEU 52 HD12 LEU 52 1.831 2.676 -2.053 380 HD13 LEU 52 HD13 LEU 52 3.451 2.112 -1.631 381 HD21 LEU 52 HD21 LEU 52 3.776 3.686 -5.006 382 HD22 LEU 52 HD22 LEU 52 4.397 3.754 -3.356 383 HD23 LEU 52 HD23 LEU 52 2.738 4.252 -3.697 384 H GLU 53 HN GLU 53 4.609 -1.362 -5.888 385 HA GLU 53 HA GLU 53 7.316 -1.976 -5.605 386 HB2 GLU 53 HB2 GLU 53 5.280 -3.331 -7.351 387 HB3 GLU 53 HB1 GLU 53 6.849 -3.982 -6.936 388 HG2 GLU 53 HG2 GLU 53 6.132 -3.995 -4.556 389 HG3 GLU 53 HG1 GLU 53 4.541 -3.476 -5.115 390 H SER 54 HN SER 54 5.397 -1.444 -8.479 391 HA SER 54 HA SER 54 7.454 -1.793 -10.353 392 HB2 SER 54 HB2 SER 54 4.960 -1.879 -10.767 393 HB3 SER 54 HB1 SER 54 4.955 -0.123 -10.720 394 HG SER 54 HG SER 54 5.300 -1.595 -12.743 395 H ARG 55 HN ARG 55 6.317 1.073 -8.647 396 HA ARG 55 HA ARG 55 7.702 2.998 -10.157 397 HB2 ARG 55 HB2 ARG 55 5.889 3.660 -8.680 398 HB3 ARG 55 HB1 ARG 55 6.786 3.103 -7.275 399 HG2 ARG 55 HG2 ARG 55 8.431 4.853 -7.584 400 HG3 ARG 55 HG1 ARG 55 7.643 5.363 -9.076 401 HD2 ARG 55 HD2 ARG 55 6.422 5.453 -6.315 402 HD3 ARG 55 HD1 ARG 55 7.089 6.833 -7.187 403 HE ARG 55 HE ARG 55 5.014 5.378 -8.573 404 HH11 ARG 55 HH11 ARG 55 5.651 8.148 -6.395 405 HH12 ARG 55 HH12 ARG 55 4.247 8.968 -6.875 406 HH21 ARG 55 HH21 ARG 55 3.158 6.478 -9.153 407 HH22 ARG 55 HH22 ARG 55 2.744 8.000 -8.465 408 H TYR 56 HN TYR 56 8.688 1.269 -7.214 409 HA TYR 56 HA TYR 56 11.242 2.692 -7.392 410 HB2 TYR 56 HB2 TYR 56 10.077 1.087 -5.144 411 HB3 TYR 56 HB1 TYR 56 11.652 1.864 -5.090 412 HD1 TYR 56 HD2 TYR 56 11.790 4.334 -5.269 413 HD2 TYR 56 HD1 TYR 56 8.107 2.302 -4.735 414 HE1 TYR 56 HE2 TYR 56 10.774 6.399 -4.509 415 HE2 TYR 56 HE1 TYR 56 7.060 4.387 -3.975 416 HH TYR 56 HH TYR 56 8.390 7.347 -4.484 417 H GLY 57 HN GLY 57 9.979 -0.312 -8.186 418 HA2 GLY 57 HA2 GLY 57 11.108 -2.012 -9.274 419 HA3 GLY 57 HA1 GLY 57 12.633 -1.261 -8.821 420 H VAL 58 HN VAL 58 9.928 -2.305 -6.790 421 HA VAL 58 HA VAL 58 11.836 -4.054 -5.433 422 HB VAL 58 HB VAL 58 10.543 -3.920 -3.363 423 HG11 VAL 58 HG11 VAL 58 12.274 -2.275 -3.648 424 HG12 VAL 58 HG12 VAL 58 10.921 -1.590 -2.747 425 HG13 VAL 58 HG13 VAL 58 11.144 -1.184 -4.447 426 HG21 VAL 58 HG21 VAL 58 8.303 -3.631 -4.244 427 HG22 VAL 58 HG22 VAL 58 8.713 -2.021 -4.829 428 HG23 VAL 58 HG23 VAL 58 8.668 -2.343 -3.096 429 H SER 59 HN SER 59 10.501 -5.865 -4.119 430 HA SER 59 HA SER 59 8.452 -6.968 -5.881 431 HB2 SER 59 HB2 SER 59 10.856 -8.494 -4.825 432 HB3 SER 59 HB1 SER 59 9.562 -9.149 -5.829 433 HG SER 59 HG SER 59 10.267 -7.949 -7.543 434 H ILE 60 HN ILE 60 6.772 -6.955 -4.485 435 HA ILE 60 HA ILE 60 7.203 -7.708 -1.684 436 HB ILE 60 HB ILE 60 4.725 -6.622 -3.065 437 HG12 ILE 60 HG12 ILE 60 6.561 -5.261 -1.087 438 HG13 ILE 60 HG11 ILE 60 6.581 -4.976 -2.828 439 HG21 ILE 60 HG21 ILE 60 3.780 -6.358 -0.807 440 HG22 ILE 60 HG22 ILE 60 5.201 -7.149 -0.128 441 HG23 ILE 60 HG23 ILE 60 4.114 -8.050 -1.185 442 HD11 ILE 60 HD11 ILE 60 4.309 -4.423 -0.937 443 HD12 ILE 60 HD12 ILE 60 4.276 -4.163 -2.682 444 HD13 ILE 60 HD13 ILE 60 5.379 -3.230 -1.675 445 HA PRO 61 HA PRO 61 5.901 -11.893 -2.764 446 HB2 PRO 61 HB2 PRO 61 5.619 -11.897 0.213 447 HB3 PRO 61 HB1 PRO 61 6.416 -13.076 -0.844 448 HG2 PRO 61 HG2 PRO 61 7.882 -11.404 0.568 449 HG3 PRO 61 HG1 PRO 61 8.304 -11.725 -1.127 450 HD2 PRO 61 HD2 PRO 61 6.908 -9.355 0.056 451 HD3 PRO 61 HD1 PRO 61 8.163 -9.412 -1.201 452 H ASP 62 HN ASP 62 3.935 -12.719 -3.046 453 HA ASP 62 HA ASP 62 1.530 -11.330 -2.649 454 HB2 ASP 62 HB2 ASP 62 2.029 -14.286 -3.073 455 HB3 ASP 62 HB1 ASP 62 0.426 -13.580 -3.040 456 H ASP 63 HN ASP 63 3.240 -13.584 -0.710 457 HA ASP 63 HA ASP 63 1.253 -14.148 1.230 458 HB2 ASP 63 HB2 ASP 63 4.236 -14.406 1.222 459 HB3 ASP 63 HB1 ASP 63 3.329 -14.653 2.705 460 H VAL 64 HN VAL 64 3.379 -11.455 0.788 461 HA VAL 64 HA VAL 64 3.187 -10.640 3.537 462 HB VAL 64 HB VAL 64 4.393 -9.206 1.141 463 HG11 VAL 64 HG11 VAL 64 5.324 -7.607 2.756 464 HG12 VAL 64 HG12 VAL 64 4.437 -8.404 4.057 465 HG13 VAL 64 HG13 VAL 64 3.562 -7.564 2.776 466 HG21 VAL 64 HG21 VAL 64 5.631 -10.546 3.541 467 HG22 VAL 64 HG22 VAL 64 6.508 -9.695 2.267 468 HG23 VAL 64 HG23 VAL 64 5.619 -11.170 1.892 469 H ALA 65 HN ALA 65 1.734 -9.708 0.459 470 HA ALA 65 HA ALA 65 0.253 -7.530 1.507 471 HB1 ALA 65 HB1 ALA 65 -1.134 -7.667 -0.496 472 HB2 ALA 65 HB2 ALA 65 -0.461 -9.247 -0.892 473 HB3 ALA 65 HB3 ALA 65 0.565 -7.806 -0.916 474 H GLY 66 HN GLY 66 -0.193 -10.928 1.701 475 HA2 GLY 66 HA2 GLY 66 -2.857 -10.582 2.882 476 HA3 GLY 66 HA1 GLY 66 -2.140 -12.112 2.383 477 H ARG 67 HN ARG 67 -0.014 -10.043 4.017 478 HA ARG 67 HA ARG 67 -0.424 -11.451 6.569 479 HB2 ARG 67 HB2 ARG 67 1.511 -12.358 5.459 480 HB3 ARG 67 HB1 ARG 67 2.180 -10.792 5.115 481 HG2 ARG 67 HG2 ARG 67 2.586 -10.479 7.528 482 HG3 ARG 67 HG1 ARG 67 1.897 -12.079 7.830 483 HD2 ARG 67 HD2 ARG 67 3.619 -13.126 6.525 484 HD3 ARG 67 HD1 ARG 67 4.253 -11.560 6.028 485 HE ARG 67 HE ARG 67 4.559 -11.304 8.586 486 HH11 ARG 67 HH11 ARG 67 5.012 -14.282 6.772 487 HH12 ARG 67 HH12 ARG 67 6.365 -14.833 7.649 488 HH21 ARG 67 HH21 ARG 67 6.435 -12.064 9.875 489 HH22 ARG 67 HH22 ARG 67 7.161 -13.546 9.473 490 H VAL 68 HN VAL 68 -0.644 -8.596 5.043 491 HA VAL 68 HA VAL 68 0.467 -6.881 7.095 492 HB VAL 68 HB VAL 68 -0.468 -4.979 5.768 493 HG11 VAL 68 HG11 VAL 68 1.773 -5.756 5.315 494 HG12 VAL 68 HG12 VAL 68 0.985 -5.211 3.835 495 HG13 VAL 68 HG13 VAL 68 1.146 -6.936 4.166 496 HG21 VAL 68 HG21 VAL 68 -1.442 -5.403 3.566 497 HG22 VAL 68 HG22 VAL 68 -2.434 -6.109 4.843 498 HG23 VAL 68 HG23 VAL 68 -1.384 -7.140 3.871 499 H ASP 69 HN ASP 69 -1.276 -4.914 7.427 500 HA ASP 69 HA ASP 69 -3.709 -6.108 8.569 501 HB2 ASP 69 HB2 ASP 69 -2.046 -6.245 10.387 502 HB3 ASP 69 HB1 ASP 69 -1.669 -4.544 10.193 503 H THR 70 HN THR 70 -1.888 -3.095 8.841 504 HA THR 70 HA THR 70 -4.173 -1.595 7.843 505 HB THR 70 HB THR 70 -2.906 0.254 9.081 506 HG1 THR 70 HG1 THR 70 -1.744 -1.476 10.833 507 HG21 THR 70 HG21 THR 70 -3.964 -2.079 10.666 508 HG22 THR 70 HG22 THR 70 -4.957 -0.802 9.957 509 HG23 THR 70 HG23 THR 70 -3.824 -0.425 11.262 510 HA PRO 71 HA PRO 71 -1.762 -0.155 4.364 511 HB2 PRO 71 HB2 PRO 71 -2.207 2.597 5.449 512 HB3 PRO 71 HB1 PRO 71 -2.438 1.982 3.805 513 HG2 PRO 71 HG2 PRO 71 -4.537 2.340 5.340 514 HG3 PRO 71 HG1 PRO 71 -4.412 0.867 4.357 515 HD2 PRO 71 HD2 PRO 71 -3.934 1.238 7.285 516 HD3 PRO 71 HD1 PRO 71 -4.728 -0.102 6.431 517 H ARG 72 HN ARG 72 -1.007 1.493 7.502 518 HA ARG 72 HA ARG 72 1.490 2.358 6.851 519 HB2 ARG 72 HB2 ARG 72 1.982 2.260 9.242 520 HB3 ARG 72 HB1 ARG 72 0.490 3.093 8.861 521 HG2 ARG 72 HG2 ARG 72 -0.817 1.342 9.717 522 HG3 ARG 72 HG1 ARG 72 0.550 0.226 9.734 523 HD2 ARG 72 HD2 ARG 72 -0.061 1.069 11.973 524 HD3 ARG 72 HD1 ARG 72 1.597 1.434 11.509 525 HE ARG 72 HE ARG 72 -0.612 3.404 11.416 526 HH11 ARG 72 HH11 ARG 72 2.832 2.656 11.970 527 HH12 ARG 72 HH12 ARG 72 3.176 4.175 12.629 528 HH21 ARG 72 HH21 ARG 72 -0.120 5.422 12.217 529 HH22 ARG 72 HH22 ARG 72 1.456 5.834 12.767 530 H GLU 73 HN GLU 73 0.536 -0.907 7.793 531 HA GLU 73 HA GLU 73 3.150 -1.925 8.210 532 HB2 GLU 73 HB2 GLU 73 1.132 -3.089 9.002 533 HB3 GLU 73 HB1 GLU 73 0.615 -3.339 7.342 534 HG2 GLU 73 HG2 GLU 73 1.534 -5.377 8.198 535 HG3 GLU 73 HG1 GLU 73 2.609 -4.732 6.963 536 H LEU 74 HN LEU 74 1.016 -1.830 5.435 537 HA LEU 74 HA LEU 74 2.698 -3.260 3.651 538 HB2 LEU 74 HB2 LEU 74 0.177 -2.902 3.498 539 HB3 LEU 74 HB1 LEU 74 0.490 -1.263 3.007 540 HG LEU 74 HG LEU 74 -0.195 -2.871 1.208 541 HD11 LEU 74 HD11 LEU 74 1.419 -2.051 -0.468 542 HD12 LEU 74 HD12 LEU 74 2.482 -1.519 0.834 543 HD13 LEU 74 HD13 LEU 74 0.902 -0.766 0.624 544 HD21 LEU 74 HD21 LEU 74 1.519 -4.369 0.280 545 HD22 LEU 74 HD22 LEU 74 1.057 -4.812 1.925 546 HD23 LEU 74 HD23 LEU 74 2.578 -3.971 1.633 547 H LEU 75 HN LEU 75 2.142 0.120 4.333 548 HA LEU 75 HA LEU 75 3.852 1.469 2.609 549 HB2 LEU 75 HB2 LEU 75 2.268 2.556 4.072 550 HB3 LEU 75 HB1 LEU 75 3.108 1.963 5.486 551 HG LEU 75 HG LEU 75 5.047 3.422 4.854 552 HD11 LEU 75 HD11 LEU 75 4.584 3.623 2.498 553 HD12 LEU 75 HD12 LEU 75 4.652 5.209 3.269 554 HD13 LEU 75 HD13 LEU 75 3.094 4.494 2.852 555 HD21 LEU 75 HD21 LEU 75 2.402 4.803 5.282 556 HD22 LEU 75 HD22 LEU 75 3.992 5.495 5.595 557 HD23 LEU 75 HD23 LEU 75 3.431 4.117 6.540 558 H ASP 76 HN ASP 76 4.473 0.225 5.857 559 HA ASP 76 HA ASP 76 7.159 1.051 6.002 560 HB2 ASP 76 HB2 ASP 76 5.736 0.662 7.972 561 HB3 ASP 76 HB1 ASP 76 5.758 -1.063 7.630 562 H LEU 77 HN LEU 77 5.663 -1.921 4.986 563 HA LEU 77 HA LEU 77 7.976 -3.519 4.846 564 HB2 LEU 77 HB2 LEU 77 5.589 -4.316 4.653 565 HB3 LEU 77 HB1 LEU 77 5.524 -3.622 3.057 566 HG LEU 77 HG LEU 77 5.759 -6.104 3.091 567 HD11 LEU 77 HD11 LEU 77 7.500 -6.332 1.414 568 HD12 LEU 77 HD12 LEU 77 8.060 -4.697 1.773 569 HD13 LEU 77 HD13 LEU 77 6.453 -4.949 1.099 570 HD21 LEU 77 HD21 LEU 77 7.913 -7.107 3.665 571 HD22 LEU 77 HD22 LEU 77 7.149 -6.340 5.056 572 HD23 LEU 77 HD23 LEU 77 8.488 -5.538 4.232 573 H ILE 78 HN ILE 78 6.481 -1.292 2.548 574 HA ILE 78 HA ILE 78 8.340 -1.847 0.481 575 HB ILE 78 HB ILE 78 6.492 0.545 0.801 576 HG12 ILE 78 HG12 ILE 78 6.201 -2.051 -0.712 577 HG13 ILE 78 HG11 ILE 78 5.330 -1.604 0.748 578 HG21 ILE 78 HG21 ILE 78 7.965 -0.484 -1.652 579 HG22 ILE 78 HG22 ILE 78 8.355 0.987 -0.768 580 HG23 ILE 78 HG23 ILE 78 6.823 0.861 -1.627 581 HD11 ILE 78 HD11 ILE 78 5.105 -0.273 -1.938 582 HD12 ILE 78 HD12 ILE 78 4.214 0.193 -0.484 583 HD13 ILE 78 HD13 ILE 78 3.949 -1.389 -1.224 584 H ASN 79 HN ASN 79 8.015 0.665 2.928 585 HA ASN 79 HA ASN 79 10.272 2.146 2.146 586 HB2 ASN 79 HB2 ASN 79 8.892 1.914 4.806 587 HB3 ASN 79 HB1 ASN 79 10.337 2.895 4.609 588 HD21 ASN 79 HD21 ASN 79 7.766 3.803 5.358 589 HD22 ASN 79 HD22 ASN 79 7.200 4.898 4.134 590 H GLY 80 HN GLY 80 10.041 -0.753 4.042 591 HA2 GLY 80 HA2 GLY 80 12.764 -0.728 4.922 592 HA3 GLY 80 HA1 GLY 80 11.696 -2.127 4.900 593 H ALA 81 HN ALA 81 11.028 -2.029 2.186 594 HA ALA 81 HA ALA 81 13.228 -3.399 1.012 595 HB1 ALA 81 HB1 ALA 81 10.888 -4.002 0.553 596 HB2 ALA 81 HB2 ALA 81 11.747 -3.608 -0.937 597 HB3 ALA 81 HB3 ALA 81 10.638 -2.439 -0.223 598 H LEU 82 HN LEU 82 12.127 -0.171 1.039 599 HA LEU 82 HA LEU 82 13.506 0.747 -1.258 600 HB2 LEU 82 HB2 LEU 82 12.380 2.293 1.067 601 HB3 LEU 82 HB1 LEU 82 13.046 3.027 -0.375 602 HG LEU 82 HG LEU 82 10.602 1.283 -0.203 603 HD11 LEU 82 HD11 LEU 82 10.213 3.530 0.573 604 HD12 LEU 82 HD12 LEU 82 9.417 3.257 -0.976 605 HD13 LEU 82 HD13 LEU 82 10.919 4.182 -0.906 606 HD21 LEU 82 HD21 LEU 82 11.902 2.506 -2.619 607 HD22 LEU 82 HD22 LEU 82 10.336 1.697 -2.590 608 HD23 LEU 82 HD23 LEU 82 11.806 0.789 -2.232 609 H ALA 83 HN ALA 83 14.612 -0.095 1.804 610 HA ALA 83 HA ALA 83 16.941 1.514 1.852 611 HB1 ALA 83 HB1 ALA 83 16.244 0.191 3.804 612 HB2 ALA 83 HB2 ALA 83 17.882 -0.239 3.314 613 HB3 ALA 83 HB3 ALA 83 16.534 -1.299 2.905 614 H GLU 84 HN GLU 84 16.072 -1.521 0.379 615 HA GLU 84 HA GLU 84 18.609 -2.147 -0.793 616 HB2 GLU 84 HB2 GLU 84 15.862 -3.091 -1.583 617 HB3 GLU 84 HB1 GLU 84 17.392 -3.891 -1.895 618 HG2 GLU 84 HG2 GLU 84 17.639 -4.464 0.408 619 HG3 GLU 84 HG1 GLU 84 16.245 -3.475 0.856 620 H ALA 85 HN ALA 85 15.482 -1.048 -1.965 621 HA ALA 85 HA ALA 85 16.573 -0.376 -4.585 622 HB1 ALA 85 HB1 ALA 85 14.261 -0.394 -5.331 623 HB2 ALA 85 HB2 ALA 85 13.699 -0.512 -3.662 624 HB3 ALA 85 HB3 ALA 85 14.584 -1.846 -4.387 625 H ALA 86 HN ALA 86 14.130 1.485 -4.874 626 HA ALA 86 HA ALA 86 13.500 3.579 -4.656 627 HB1 ALA 86 HB1 ALA 86 13.768 3.447 -2.186 628 HB2 ALA 86 HB2 ALA 86 14.163 5.046 -2.818 629 HB3 ALA 86 HB3 ALA 86 15.454 3.934 -2.365 630 H281 PSR 87 H28A PSR 87 -6.853 -10.429 -7.125 631 H282 PSR 87 H28B PSR 87 -6.346 -9.838 -5.542 632 H301 PSR 87 H30A PSR 87 -4.047 -9.679 -6.289 633 H302 PSR 87 H30B PSR 87 -4.602 -10.184 -7.890 634 H303 PSR 87 H30C PSR 87 -3.253 -11.024 -7.103 635 H311 PSR 87 H31A PSR 87 -4.438 -10.906 -4.343 636 H312 PSR 87 H31B PSR 87 -3.655 -12.334 -5.017 637 H313 PSR 87 H31C PSR 87 -5.295 -12.449 -4.379 638 H321 PSR 87 H32A PSR 87 -4.341 -13.211 -7.410 639 H331 PSR 87 H33A PSR 87 -6.704 -13.037 -8.447 640 H361 PSR 87 H36A PSR 87 -4.845 -14.269 -5.230 641 H371 PSR 87 H37A PSR 87 -7.516 -15.358 -4.822 642 H372 PSR 87 H37B PSR 87 -6.215 -16.486 -5.196 643 H381 PSR 87 H38A PSR 87 -6.449 -16.354 -2.818 644 H382 PSR 87 H38B PSR 87 -4.916 -15.593 -3.278 645 H411 PSR 87 H41A PSR 87 -4.939 -14.569 -1.276 646 H421 PSR 87 H42A PSR 87 -5.985 -11.924 -1.184 647 H422 PSR 87 H42B PSR 87 -6.876 -12.989 -0.108 648 H431 PSR 87 H43A PSR 87 -3.913 -12.435 0.022 649 H432 PSR 87 H43B PSR 87 -4.762 -13.663 0.962 650 HC21 PSR 87 H2A PSR 87 -3.514 -10.877 -0.286 651 HC22 PSR 87 H2B PSR 87 -3.339 -9.181 0.149 652 HC31 PSR 87 H3A PSR 87 -4.890 -8.536 -1.610 653 HC32 PSR 87 H3B PSR 87 -5.078 -10.242 -2.064 654 HC41 PSR 87 H4C PSR 87 -3.456 -9.097 -3.497 655 HC42 PSR 87 H4A PSR 87 -2.683 -10.360 -2.539 656 HC43 PSR 87 H4B PSR 87 -2.506 -8.667 -2.075 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 19.331 6.801 2.801 2 H2 MET 1 HT2 MET 1 20.790 7.574 3.148 3 H3 MET 1 HT3 MET 1 20.639 6.531 1.809 4 HA MET 1 HA MET 1 19.118 9.036 2.058 5 HB2 MET 1 HB2 MET 1 21.391 8.350 0.156 6 HB3 MET 1 HB1 MET 1 20.541 9.881 0.261 7 HG2 MET 1 HG2 MET 1 22.302 8.728 2.410 8 HG3 MET 1 HG1 MET 1 22.803 9.931 1.230 9 HE1 MET 1 HE1 MET 1 22.056 12.428 1.242 10 HE2 MET 1 HE2 MET 1 20.758 13.062 2.253 11 HE3 MET 1 HE3 MET 1 20.397 11.886 0.989 12 H ALA 2 HN ALA 2 17.165 8.274 1.311 13 HA ALA 2 HA ALA 2 17.147 7.051 -1.321 14 HB1 ALA 2 HB1 ALA 2 17.369 5.158 0.198 15 HB2 ALA 2 HB2 ALA 2 15.792 5.168 -0.594 16 HB3 ALA 2 HB3 ALA 2 15.943 5.698 1.081 17 H THR 3 HN THR 3 14.863 6.783 -2.086 18 HA THR 3 HA THR 3 13.292 9.095 -1.313 19 HB THR 3 HB THR 3 12.983 7.046 -3.447 20 HG1 THR 3 HG1 THR 3 14.852 8.333 -3.764 21 HG21 THR 3 HG21 THR 3 11.452 8.678 -4.532 22 HG22 THR 3 HG22 THR 3 11.610 9.724 -3.121 23 HG23 THR 3 HG23 THR 3 10.855 8.138 -2.963 24 H LEU 4 HN LEU 4 12.061 8.657 0.437 25 HA LEU 4 HA LEU 4 10.915 5.987 0.681 26 HB2 LEU 4 HB2 LEU 4 11.244 8.148 2.754 27 HB3 LEU 4 HB1 LEU 4 10.469 6.603 3.042 28 HG LEU 4 HG LEU 4 13.372 7.024 2.321 29 HD11 LEU 4 HD11 LEU 4 12.856 7.669 4.604 30 HD12 LEU 4 HD12 LEU 4 13.810 6.185 4.563 31 HD13 LEU 4 HD13 LEU 4 12.076 6.111 4.878 32 HD21 LEU 4 HD21 LEU 4 11.855 4.489 2.920 33 HD22 LEU 4 HD22 LEU 4 13.603 4.612 2.702 34 HD23 LEU 4 HD23 LEU 4 12.519 4.959 1.355 35 H LEU 5 HN LEU 5 8.761 5.758 1.373 36 HA LEU 5 HA LEU 5 7.010 7.702 0.086 37 HB2 LEU 5 HB2 LEU 5 6.360 5.020 1.300 38 HB3 LEU 5 HB1 LEU 5 5.291 6.010 0.340 39 HG LEU 5 HG LEU 5 7.763 4.606 -0.645 40 HD11 LEU 5 HD11 LEU 5 5.944 3.094 -0.127 41 HD12 LEU 5 HD12 LEU 5 6.168 3.226 -1.875 42 HD13 LEU 5 HD13 LEU 5 4.835 4.070 -1.090 43 HD21 LEU 5 HD21 LEU 5 5.696 6.190 -2.166 44 HD22 LEU 5 HD22 LEU 5 7.063 5.294 -2.850 45 HD23 LEU 5 HD23 LEU 5 7.353 6.700 -1.835 46 H THR 6 HN THR 6 5.814 9.054 1.293 47 HA THR 6 HA THR 6 5.754 8.639 4.166 48 HB THR 6 HB THR 6 4.733 10.899 4.231 49 HG1 THR 6 HG1 THR 6 5.149 10.946 1.396 50 HG21 THR 6 HG21 THR 6 7.206 10.793 2.498 51 HG22 THR 6 HG22 THR 6 7.182 10.739 4.261 52 HG23 THR 6 HG23 THR 6 6.649 12.193 3.413 53 H THR 7 HN THR 7 3.457 9.428 5.001 54 HA THR 7 HA THR 7 1.480 7.615 4.348 55 HB THR 7 HB THR 7 1.125 10.424 5.443 56 HG1 THR 7 HG1 THR 7 2.646 8.900 6.535 57 HG21 THR 7 HG21 THR 7 -0.996 9.360 4.765 58 HG22 THR 7 HG22 THR 7 -0.891 9.498 6.519 59 HG23 THR 7 HG23 THR 7 -0.595 7.943 5.737 60 H ASP 8 HN ASP 8 1.913 10.984 3.287 61 HA ASP 8 HA ASP 8 -0.264 11.073 1.539 62 HB2 ASP 8 HB2 ASP 8 0.904 13.087 2.294 63 HB3 ASP 8 HB1 ASP 8 2.296 12.646 1.304 64 H ASP 9 HN ASP 9 3.031 10.005 0.932 65 HA ASP 9 HA ASP 9 2.767 9.695 -1.895 66 HB2 ASP 9 HB2 ASP 9 4.560 8.213 0.039 67 HB3 ASP 9 HB1 ASP 9 4.612 7.982 -1.698 68 H LEU 10 HN LEU 10 2.336 7.501 0.797 69 HA LEU 10 HA LEU 10 1.583 5.229 -0.699 70 HB2 LEU 10 HB2 LEU 10 2.298 5.281 1.687 71 HB3 LEU 10 HB1 LEU 10 0.753 5.994 2.098 72 HG LEU 10 HG LEU 10 -0.314 3.932 1.118 73 HD11 LEU 10 HD11 LEU 10 2.502 2.894 1.286 74 HD12 LEU 10 HD12 LEU 10 1.552 3.125 -0.179 75 HD13 LEU 10 HD13 LEU 10 1.059 1.919 1.011 76 HD21 LEU 10 HD21 LEU 10 1.442 3.672 3.540 77 HD22 LEU 10 HD22 LEU 10 0.102 2.598 3.141 78 HD23 LEU 10 HD23 LEU 10 -0.205 4.301 3.496 79 H ARG 11 HN ARG 11 -0.159 7.879 0.753 80 HA ARG 11 HA ARG 11 -2.788 7.167 0.446 81 HB2 ARG 11 HB2 ARG 11 -1.835 9.214 1.607 82 HB3 ARG 11 HB1 ARG 11 -1.683 9.948 0.028 83 HG2 ARG 11 HG2 ARG 11 -4.153 9.774 -0.258 84 HG3 ARG 11 HG1 ARG 11 -4.192 9.089 1.385 85 HD2 ARG 11 HD2 ARG 11 -3.001 11.791 0.815 86 HD3 ARG 11 HD1 ARG 11 -4.707 11.575 1.193 87 HE ARG 11 HE ARG 11 -3.940 10.532 3.302 88 HH11 ARG 11 HH11 ARG 11 -1.861 12.954 1.678 89 HH12 ARG 11 HH12 ARG 11 -1.102 13.440 3.107 90 HH21 ARG 11 HH21 ARG 11 -2.868 11.281 5.273 91 HH22 ARG 11 HH22 ARG 11 -1.626 12.436 5.166 92 H ARG 12 HN ARG 12 -0.587 8.570 -1.913 93 HA ARG 12 HA ARG 12 -2.359 9.130 -4.011 94 HB2 ARG 12 HB2 ARG 12 0.496 8.124 -4.258 95 HB3 ARG 12 HB1 ARG 12 -0.415 8.956 -5.509 96 HG2 ARG 12 HG2 ARG 12 -0.443 10.978 -4.191 97 HG3 ARG 12 HG1 ARG 12 0.354 10.145 -2.856 98 HD2 ARG 12 HD2 ARG 12 2.015 11.417 -3.999 99 HD3 ARG 12 HD1 ARG 12 2.291 9.720 -4.377 100 HE ARG 12 HE ARG 12 0.669 10.915 -6.364 101 HH11 ARG 12 HH11 ARG 12 4.086 10.582 -5.344 102 HH12 ARG 12 HH12 ARG 12 4.706 11.221 -6.788 103 HH21 ARG 12 HH21 ARG 12 1.589 11.777 -8.373 104 HH22 ARG 12 HH22 ARG 12 3.269 11.938 -8.534 105 H ALA 13 HN ALA 13 -0.547 6.190 -3.273 106 HA ALA 13 HA ALA 13 -1.524 4.672 -5.464 107 HB1 ALA 13 HB1 ALA 13 -0.442 2.775 -4.402 108 HB2 ALA 13 HB2 ALA 13 -0.250 3.699 -2.912 109 HB3 ALA 13 HB3 ALA 13 0.616 4.186 -4.369 110 H LEU 14 HN LEU 14 -2.411 4.794 -2.032 111 HA LEU 14 HA LEU 14 -4.365 2.757 -2.186 112 HB2 LEU 14 HB2 LEU 14 -3.812 4.883 -0.171 113 HB3 LEU 14 HB1 LEU 14 -5.343 4.042 -0.106 114 HG LEU 14 HG LEU 14 -3.814 3.054 1.449 115 HD11 LEU 14 HD11 LEU 14 -5.362 1.552 0.405 116 HD12 LEU 14 HD12 LEU 14 -3.835 0.729 0.730 117 HD13 LEU 14 HD13 LEU 14 -4.227 1.252 -0.911 118 HD21 LEU 14 HD21 LEU 14 -1.990 2.549 -0.886 119 HD22 LEU 14 HD22 LEU 14 -1.754 1.948 0.755 120 HD23 LEU 14 HD23 LEU 14 -1.706 3.681 0.434 121 H VAL 15 HN VAL 15 -4.641 6.240 -2.578 122 HA VAL 15 HA VAL 15 -7.410 6.187 -3.109 123 HB VAL 15 HB VAL 15 -5.256 8.056 -4.203 124 HG11 VAL 15 HG11 VAL 15 -8.268 8.356 -4.304 125 HG12 VAL 15 HG12 VAL 15 -7.220 8.043 -5.686 126 HG13 VAL 15 HG13 VAL 15 -7.093 9.571 -4.813 127 HG21 VAL 15 HG21 VAL 15 -6.144 9.641 -2.564 128 HG22 VAL 15 HG22 VAL 15 -5.543 8.176 -1.788 129 HG23 VAL 15 HG23 VAL 15 -7.278 8.416 -1.996 130 H GLU 16 HN GLU 16 -4.668 6.086 -5.304 131 HA GLU 16 HA GLU 16 -5.864 6.123 -7.744 132 HB2 GLU 16 HB2 GLU 16 -3.408 6.098 -7.214 133 HB3 GLU 16 HB1 GLU 16 -3.519 4.344 -7.151 134 HG2 GLU 16 HG2 GLU 16 -2.711 4.977 -9.301 135 HG3 GLU 16 HG1 GLU 16 -4.363 4.378 -9.490 136 H SER 17 HN SER 17 -5.205 3.075 -5.953 137 HA SER 17 HA SER 17 -6.112 1.415 -8.049 138 HB2 SER 17 HB2 SER 17 -5.878 0.717 -5.124 139 HB3 SER 17 HB1 SER 17 -5.775 -0.417 -6.472 140 HG SER 17 HG SER 17 -3.890 1.067 -5.350 141 H ALA 18 HN ALA 18 -7.994 3.340 -6.022 142 HA ALA 18 HA ALA 18 -10.434 1.897 -6.757 143 HB1 ALA 18 HB1 ALA 18 -9.749 2.759 -3.950 144 HB2 ALA 18 HB2 ALA 18 -9.874 1.085 -4.503 145 HB3 ALA 18 HB3 ALA 18 -11.309 2.120 -4.464 146 H GLY 19 HN GLY 19 -8.826 4.465 -7.231 147 HA2 GLY 19 HA2 GLY 19 -10.459 6.476 -5.907 148 HA3 GLY 19 HA1 GLY 19 -8.907 6.733 -6.677 149 H GLU 20 HN GLU 20 -10.596 4.909 -8.722 150 HA GLU 20 HA GLU 20 -11.121 7.096 -10.400 151 HB2 GLU 20 HB2 GLU 20 -12.035 5.422 -11.985 152 HB3 GLU 20 HB1 GLU 20 -10.469 4.988 -11.306 153 HG2 GLU 20 HG2 GLU 20 -11.533 3.400 -9.810 154 HG3 GLU 20 HG1 GLU 20 -13.108 3.808 -10.502 155 H THR 21 HN THR 21 -12.511 8.463 -9.983 156 HA THR 21 HA THR 21 -14.126 9.578 -9.057 157 HB THR 21 HB THR 21 -16.531 8.649 -9.361 158 HG1 THR 21 HG1 THR 21 -15.300 6.484 -9.926 159 HG21 THR 21 HG21 THR 21 -14.719 9.192 -11.702 160 HG22 THR 21 HG22 THR 21 -15.524 10.377 -10.666 161 HG23 THR 21 HG23 THR 21 -16.490 9.325 -11.708 162 H ASP 22 HN ASP 22 -12.708 8.304 -7.219 163 HA ASP 22 HA ASP 22 -14.699 7.555 -5.197 164 HB2 ASP 22 HB2 ASP 22 -12.575 6.183 -5.251 165 HB3 ASP 22 HB1 ASP 22 -11.674 7.633 -4.832 166 H GLY 23 HN GLY 23 -15.468 9.027 -4.013 167 HA2 GLY 23 HA2 GLY 23 -14.533 11.721 -4.072 168 HA3 GLY 23 HA1 GLY 23 -15.778 11.088 -2.996 169 H THR 24 HN THR 24 -15.099 9.974 -1.096 170 HA THR 24 HA THR 24 -12.337 10.193 -0.314 171 HB THR 24 HB THR 24 -14.559 11.629 1.197 172 HG1 THR 24 HG1 THR 24 -12.887 12.409 -0.749 173 HG21 THR 24 HG21 THR 24 -12.771 12.422 2.704 174 HG22 THR 24 HG22 THR 24 -11.601 11.436 1.827 175 HG23 THR 24 HG23 THR 24 -12.900 10.665 2.737 176 H ASP 25 HN ASP 25 -12.982 7.794 -0.630 177 HA ASP 25 HA ASP 25 -14.526 6.762 1.628 178 HB2 ASP 25 HB2 ASP 25 -14.451 5.823 -0.811 179 HB3 ASP 25 HB1 ASP 25 -12.953 5.063 -0.321 180 H LEU 26 HN LEU 26 -11.359 6.031 0.278 181 HA LEU 26 HA LEU 26 -10.289 5.979 3.025 182 HB2 LEU 26 HB2 LEU 26 -8.632 4.423 2.431 183 HB3 LEU 26 HB1 LEU 26 -10.092 3.823 1.699 184 HG LEU 26 HG LEU 26 -7.901 5.277 0.202 185 HD11 LEU 26 HD11 LEU 26 -7.283 3.071 -0.627 186 HD12 LEU 26 HD12 LEU 26 -8.474 2.346 0.454 187 HD13 LEU 26 HD13 LEU 26 -7.092 3.215 1.120 188 HD21 LEU 26 HD21 LEU 26 -9.954 5.445 -1.052 189 HD22 LEU 26 HD22 LEU 26 -10.331 3.747 -0.746 190 HD23 LEU 26 HD23 LEU 26 -8.973 4.174 -1.785 191 H SER 27 HN SER 27 -10.351 7.545 0.152 192 HA SER 27 HA SER 27 -7.895 8.729 -0.180 193 HB2 SER 27 HB2 SER 27 -10.580 9.897 -0.536 194 HB3 SER 27 HB1 SER 27 -9.127 10.428 -1.386 195 HG SER 27 HG SER 27 -10.795 8.370 -2.120 196 H GLY 28 HN GLY 28 -6.796 9.762 1.345 197 HA2 GLY 28 HA2 GLY 28 -6.641 11.879 2.591 198 HA3 GLY 28 HA1 GLY 28 -8.284 11.521 3.151 199 H ASP 29 HN ASP 29 -8.572 10.274 4.914 200 HA ASP 29 HA ASP 29 -6.146 9.272 6.219 201 HB2 ASP 29 HB2 ASP 29 -7.669 10.810 7.513 202 HB3 ASP 29 HB1 ASP 29 -8.915 9.572 7.419 203 H PHE 30 HN PHE 30 -5.767 7.277 6.261 204 HA PHE 30 HA PHE 30 -7.783 5.150 6.128 205 HB2 PHE 30 HB2 PHE 30 -7.028 4.181 3.975 206 HB3 PHE 30 HB1 PHE 30 -7.449 5.860 3.752 207 HD1 PHE 30 HD2 PHE 30 -5.749 7.584 3.483 208 HD2 PHE 30 HD1 PHE 30 -4.722 3.476 3.703 209 HE1 PHE 30 HE2 PHE 30 -3.526 8.100 2.642 210 HE2 PHE 30 HE1 PHE 30 -2.477 3.990 2.869 211 HZ PHE 30 HZ PHE 30 -1.870 6.308 2.342 212 H LEU 31 HN LEU 31 -4.552 6.323 6.606 213 HA LEU 31 HA LEU 31 -2.877 4.240 6.255 214 HB2 LEU 31 HB2 LEU 31 -2.282 6.557 6.627 215 HB3 LEU 31 HB1 LEU 31 -2.639 6.381 8.339 216 HG LEU 31 HG LEU 31 -0.868 4.541 8.353 217 HD11 LEU 31 HD11 LEU 31 -0.156 5.835 5.738 218 HD12 LEU 31 HD12 LEU 31 -0.714 4.180 5.981 219 HD13 LEU 31 HD13 LEU 31 0.847 4.688 6.626 220 HD21 LEU 31 HD21 LEU 31 -0.017 7.381 7.814 221 HD22 LEU 31 HD22 LEU 31 0.963 6.139 8.596 222 HD23 LEU 31 HD23 LEU 31 -0.511 6.720 9.373 223 H ASP 32 HN ASP 32 -4.725 4.815 9.249 224 HA ASP 32 HA ASP 32 -3.416 2.394 10.235 225 HB2 ASP 32 HB2 ASP 32 -4.590 4.690 11.765 226 HB3 ASP 32 HB1 ASP 32 -4.229 3.143 12.529 227 H LEU 33 HN LEU 33 -6.044 2.941 8.643 228 HA LEU 33 HA LEU 33 -7.830 1.450 10.384 229 HB2 LEU 33 HB2 LEU 33 -8.326 2.629 7.647 230 HB3 LEU 33 HB1 LEU 33 -9.497 1.665 8.510 231 HG LEU 33 HG LEU 33 -10.170 3.860 8.802 232 HD11 LEU 33 HD11 LEU 33 -8.667 3.108 11.277 233 HD12 LEU 33 HD12 LEU 33 -10.305 2.629 10.833 234 HD13 LEU 33 HD13 LEU 33 -9.943 4.321 11.176 235 HD21 LEU 33 HD21 LEU 33 -7.341 4.574 9.521 236 HD22 LEU 33 HD22 LEU 33 -8.723 5.664 9.606 237 HD23 LEU 33 HD23 LEU 33 -8.207 5.018 8.051 238 H ARG 34 HN ARG 34 -9.120 -0.283 9.254 239 HA ARG 34 HA ARG 34 -7.276 -2.286 8.336 240 HB2 ARG 34 HB2 ARG 34 -10.277 -2.295 8.684 241 HB3 ARG 34 HB1 ARG 34 -9.344 -3.697 8.185 242 HG2 ARG 34 HG2 ARG 34 -8.971 -2.234 10.790 243 HG3 ARG 34 HG1 ARG 34 -9.939 -3.700 10.530 244 HD2 ARG 34 HD2 ARG 34 -8.102 -4.991 10.013 245 HD3 ARG 34 HD1 ARG 34 -7.052 -3.618 9.721 246 HE ARG 34 HE ARG 34 -7.793 -3.452 12.363 247 HH11 ARG 34 HH11 ARG 34 -6.335 -5.957 10.373 248 HH12 ARG 34 HH12 ARG 34 -5.159 -6.421 11.513 249 HH21 ARG 34 HH21 ARG 34 -6.178 -4.083 13.983 250 HH22 ARG 34 HH22 ARG 34 -5.087 -5.336 13.620 251 H PHE 35 HN PHE 35 -7.062 -3.092 6.374 252 HA PHE 35 HA PHE 35 -7.541 -1.582 4.108 253 HB2 PHE 35 HB2 PHE 35 -7.002 -4.515 4.485 254 HB3 PHE 35 HB1 PHE 35 -7.099 -3.783 2.863 255 HD1 PHE 35 HD2 PHE 35 -5.514 -1.702 2.585 256 HD2 PHE 35 HD1 PHE 35 -5.067 -4.715 5.544 257 HE1 PHE 35 HE2 PHE 35 -3.174 -1.095 2.840 258 HE2 PHE 35 HE1 PHE 35 -2.703 -4.109 5.810 259 HZ PHE 35 HZ PHE 35 -1.726 -2.362 4.373 260 H GLU 36 HN GLU 36 -9.390 -4.299 5.347 261 HA GLU 36 HA GLU 36 -11.385 -4.274 3.387 262 HB2 GLU 36 HB2 GLU 36 -12.794 -5.457 5.219 263 HB3 GLU 36 HB1 GLU 36 -11.336 -6.214 4.611 264 HG2 GLU 36 HG2 GLU 36 -11.290 -4.619 7.153 265 HG3 GLU 36 HG1 GLU 36 -11.817 -6.299 7.141 266 H ASP 37 HN ASP 37 -10.911 -2.343 6.116 267 HA ASP 37 HA ASP 37 -13.570 -1.151 6.053 268 HB2 ASP 37 HB2 ASP 37 -12.559 -1.527 8.228 269 HB3 ASP 37 HB1 ASP 37 -11.184 -0.519 7.797 270 H ILE 38 HN ILE 38 -10.615 -0.542 4.498 271 HA ILE 38 HA ILE 38 -11.305 2.271 4.093 272 HB ILE 38 HB ILE 38 -9.128 2.557 2.957 273 HG12 ILE 38 HG12 ILE 38 -8.653 -0.355 3.648 274 HG13 ILE 38 HG11 ILE 38 -8.884 0.288 2.032 275 HG21 ILE 38 HG21 ILE 38 -9.244 2.965 5.324 276 HG22 ILE 38 HG22 ILE 38 -7.673 2.273 4.905 277 HG23 ILE 38 HG23 ILE 38 -8.909 1.265 5.660 278 HD11 ILE 38 HD11 ILE 38 -6.777 1.517 2.226 279 HD12 ILE 38 HD12 ILE 38 -6.560 -0.216 2.484 280 HD13 ILE 38 HD13 ILE 38 -6.562 0.883 3.861 281 H GLY 39 HN GLY 39 -12.711 -0.045 2.994 282 HA2 GLY 39 HA2 GLY 39 -14.040 -0.283 1.138 283 HA3 GLY 39 HA1 GLY 39 -13.252 1.131 0.453 284 H TYR 40 HN TYR 40 -11.377 -1.575 1.556 285 HA TYR 40 HA TYR 40 -10.783 -2.029 -1.212 286 HB2 TYR 40 HB2 TYR 40 -9.028 -2.154 1.166 287 HB3 TYR 40 HB1 TYR 40 -8.748 -3.340 -0.098 288 HD1 TYR 40 HD2 TYR 40 -10.148 -0.103 -1.021 289 HD2 TYR 40 HD1 TYR 40 -6.599 -2.360 -0.574 290 HE1 TYR 40 HE2 TYR 40 -8.970 1.485 -2.461 291 HE2 TYR 40 HE1 TYR 40 -5.409 -0.782 -2.019 292 HH TYR 40 HH TYR 40 -6.670 2.204 -2.910 293 H ASP 41 HN ASP 41 -11.170 -3.580 -2.251 294 HA ASP 41 HA ASP 41 -12.606 -5.821 -1.155 295 HB2 ASP 41 HB2 ASP 41 -13.609 -4.944 -3.069 296 HB3 ASP 41 HB1 ASP 41 -12.075 -4.732 -3.890 297 H SER 42 HN SER 42 -9.865 -5.632 -3.488 298 HA SER 42 HA SER 42 -8.110 -7.299 -2.058 299 HB2 SER 42 HB2 SER 42 -8.311 -9.407 -3.348 300 HB3 SER 42 HB1 SER 42 -9.770 -9.061 -2.410 301 H LEU 43 HN LEU 43 -9.214 -7.005 -5.415 302 HA LEU 43 HA LEU 43 -6.691 -7.040 -6.634 303 HB2 LEU 43 HB2 LEU 43 -8.584 -7.350 -8.025 304 HB3 LEU 43 HB1 LEU 43 -9.302 -5.837 -7.517 305 HG LEU 43 HG LEU 43 -7.593 -4.590 -8.753 306 HD11 LEU 43 HD11 LEU 43 -6.559 -7.278 -9.664 307 HD12 LEU 43 HD12 LEU 43 -5.733 -6.118 -8.605 308 HD13 LEU 43 HD13 LEU 43 -6.052 -5.694 -10.272 309 HD21 LEU 43 HD21 LEU 43 -8.978 -6.690 -10.402 310 HD22 LEU 43 HD22 LEU 43 -8.337 -5.161 -11.009 311 HD23 LEU 43 HD23 LEU 43 -9.673 -5.165 -9.857 312 H ALA 44 HN ALA 44 -8.631 -4.358 -5.511 313 HA ALA 44 HA ALA 44 -6.903 -2.304 -6.299 314 HB1 ALA 44 HB1 ALA 44 -8.056 -0.927 -4.651 315 HB2 ALA 44 HB2 ALA 44 -8.740 -2.373 -3.908 316 HB3 ALA 44 HB3 ALA 44 -9.200 -1.923 -5.550 317 H LEU 45 HN LEU 45 -6.942 -4.308 -3.414 318 HA LEU 45 HA LEU 45 -4.984 -2.846 -1.996 319 HB2 LEU 45 HB2 LEU 45 -6.575 -4.391 -0.890 320 HB3 LEU 45 HB1 LEU 45 -5.822 -5.744 -1.690 321 HG LEU 45 HG LEU 45 -5.314 -5.304 0.814 322 HD11 LEU 45 HD11 LEU 45 -3.004 -5.665 -1.106 323 HD12 LEU 45 HD12 LEU 45 -4.061 -6.950 -0.518 324 HD13 LEU 45 HD13 LEU 45 -2.999 -6.094 0.604 325 HD21 LEU 45 HD21 LEU 45 -3.541 -3.285 -0.484 326 HD22 LEU 45 HD22 LEU 45 -3.381 -3.870 1.178 327 HD23 LEU 45 HD23 LEU 45 -4.832 -2.981 0.694 328 H MET 46 HN MET 46 -4.792 -5.711 -3.983 329 HA MET 46 HA MET 46 -1.978 -5.999 -3.662 330 HB2 MET 46 HB2 MET 46 -2.066 -7.706 -5.359 331 HB3 MET 46 HB1 MET 46 -3.467 -7.883 -4.319 332 HG2 MET 46 HG2 MET 46 -4.473 -8.150 -6.359 333 HG3 MET 46 HG1 MET 46 -4.558 -6.390 -6.139 334 HE1 MET 46 HE1 MET 46 -1.338 -8.392 -8.776 335 HE2 MET 46 HE2 MET 46 -2.548 -9.310 -7.881 336 HE3 MET 46 HE3 MET 46 -1.304 -8.409 -7.013 337 H GLU 47 HN GLU 47 -3.983 -4.305 -5.990 338 HA GLU 47 HA GLU 47 -1.945 -3.774 -7.854 339 HB2 GLU 47 HB2 GLU 47 -4.377 -3.739 -8.343 340 HB3 GLU 47 HB1 GLU 47 -4.529 -2.287 -7.365 341 HG2 GLU 47 HG2 GLU 47 -3.034 -1.130 -8.876 342 HG3 GLU 47 HG1 GLU 47 -2.917 -2.575 -9.877 343 H THR 48 HN THR 48 -3.041 -2.196 -4.957 344 HA THR 48 HA THR 48 -1.732 0.269 -5.207 345 HB THR 48 HB THR 48 -2.302 -1.419 -2.755 346 HG1 THR 48 HG1 THR 48 -4.193 -0.760 -3.857 347 HG21 THR 48 HG21 THR 48 -0.559 0.237 -2.281 348 HG22 THR 48 HG22 THR 48 -2.071 0.666 -1.479 349 HG23 THR 48 HG23 THR 48 -1.581 1.509 -2.949 350 H ALA 49 HN ALA 49 -0.692 -2.733 -3.597 351 HA ALA 49 HA ALA 49 1.945 -1.978 -3.063 352 HB1 ALA 49 HB1 ALA 49 0.873 -4.732 -3.661 353 HB2 ALA 49 HB2 ALA 49 0.928 -3.971 -2.062 354 HB3 ALA 49 HB3 ALA 49 2.427 -4.364 -2.918 355 H ALA 50 HN ALA 50 0.533 -3.712 -5.803 356 HA ALA 50 HA ALA 50 2.815 -4.246 -7.255 357 HB1 ALA 50 HB1 ALA 50 0.619 -5.214 -7.723 358 HB2 ALA 50 HB2 ALA 50 1.354 -4.528 -9.171 359 HB3 ALA 50 HB3 ALA 50 0.067 -3.656 -8.338 360 H ARG 51 HN ARG 51 0.808 -1.339 -7.312 361 HA ARG 51 HA ARG 51 2.030 -0.052 -9.491 362 HB2 ARG 51 HB2 ARG 51 -0.126 0.592 -8.309 363 HB3 ARG 51 HB1 ARG 51 0.866 1.300 -7.047 364 HG2 ARG 51 HG2 ARG 51 0.161 3.052 -8.493 365 HG3 ARG 51 HG1 ARG 51 1.881 2.782 -8.791 366 HD2 ARG 51 HD2 ARG 51 1.334 1.421 -10.743 367 HD3 ARG 51 HD1 ARG 51 -0.384 1.667 -10.440 368 HE ARG 51 HE ARG 51 1.461 3.864 -11.118 369 HH11 ARG 51 HH11 ARG 51 -1.628 2.176 -11.597 370 HH12 ARG 51 HH12 ARG 51 -2.276 3.369 -12.615 371 HH21 ARG 51 HH21 ARG 51 0.631 5.400 -12.574 372 HH22 ARG 51 HH22 ARG 51 -0.932 5.236 -13.267 373 H LEU 52 HN LEU 52 2.634 0.111 -6.026 374 HA LEU 52 HA LEU 52 4.809 1.909 -6.217 375 HB2 LEU 52 HB2 LEU 52 4.001 0.043 -3.996 376 HB3 LEU 52 HB1 LEU 52 5.222 1.292 -3.850 377 HG LEU 52 HG LEU 52 2.300 1.782 -4.450 378 HD11 LEU 52 HD11 LEU 52 2.640 1.000 -2.173 379 HD12 LEU 52 HD12 LEU 52 2.201 2.708 -2.201 380 HD13 LEU 52 HD13 LEU 52 3.878 2.233 -1.931 381 HD21 LEU 52 HD21 LEU 52 3.760 3.470 -5.445 382 HD22 LEU 52 HD22 LEU 52 4.550 3.718 -3.887 383 HD23 LEU 52 HD23 LEU 52 2.849 4.141 -4.092 384 H GLU 53 HN GLU 53 4.597 -1.610 -5.987 385 HA GLU 53 HA GLU 53 7.288 -2.240 -5.782 386 HB2 GLU 53 HB2 GLU 53 5.122 -3.712 -7.281 387 HB3 GLU 53 HB1 GLU 53 6.721 -4.357 -6.987 388 HG2 GLU 53 HG2 GLU 53 6.258 -4.278 -4.552 389 HG3 GLU 53 HG1 GLU 53 4.648 -3.677 -4.925 390 H SER 54 HN SER 54 5.288 -1.946 -8.642 391 HA SER 54 HA SER 54 7.245 -2.405 -10.588 392 HB2 SER 54 HB2 SER 54 4.840 -2.591 -10.986 393 HB3 SER 54 HB1 SER 54 4.649 -0.862 -10.736 394 HG SER 54 HG SER 54 5.420 -2.267 -12.909 395 H ARG 55 HN ARG 55 6.190 0.568 -9.016 396 HA ARG 55 HA ARG 55 7.409 2.371 -10.801 397 HB2 ARG 55 HB2 ARG 55 5.632 3.006 -9.220 398 HB3 ARG 55 HB1 ARG 55 6.751 2.783 -7.885 399 HG2 ARG 55 HG2 ARG 55 8.129 4.608 -8.704 400 HG3 ARG 55 HG1 ARG 55 7.067 4.803 -10.099 401 HD2 ARG 55 HD2 ARG 55 6.300 5.177 -7.206 402 HD3 ARG 55 HD1 ARG 55 6.575 6.464 -8.381 403 HE ARG 55 HE ARG 55 4.601 4.626 -9.278 404 HH11 ARG 55 HH11 ARG 55 5.054 7.519 -7.235 405 HH12 ARG 55 HH12 ARG 55 3.393 7.893 -7.196 406 HH21 ARG 55 HH21 ARG 55 2.352 5.216 -9.245 407 HH22 ARG 55 HH22 ARG 55 1.830 6.568 -8.353 408 H TYR 56 HN TYR 56 8.610 0.813 -7.884 409 HA TYR 56 HA TYR 56 11.125 2.279 -8.228 410 HB2 TYR 56 HB2 TYR 56 10.083 0.788 -5.819 411 HB3 TYR 56 HB1 TYR 56 11.622 1.638 -5.879 412 HD1 TYR 56 HD2 TYR 56 11.606 4.122 -6.353 413 HD2 TYR 56 HD1 TYR 56 8.126 1.934 -5.281 414 HE1 TYR 56 HE2 TYR 56 10.499 6.211 -5.704 415 HE2 TYR 56 HE1 TYR 56 7.011 4.007 -4.630 416 HH TYR 56 HH TYR 56 7.630 6.225 -3.930 417 H GLY 57 HN GLY 57 9.839 -0.735 -8.885 418 HA2 GLY 57 HA2 GLY 57 10.888 -2.546 -9.855 419 HA3 GLY 57 HA1 GLY 57 12.440 -1.764 -9.572 420 H VAL 58 HN VAL 58 9.998 -2.370 -7.177 421 HA VAL 58 HA VAL 58 11.873 -4.178 -5.878 422 HB VAL 58 HB VAL 58 10.840 -3.639 -3.684 423 HG11 VAL 58 HG11 VAL 58 12.839 -2.455 -4.348 424 HG12 VAL 58 HG12 VAL 58 11.787 -1.393 -3.416 425 HG13 VAL 58 HG13 VAL 58 11.870 -1.229 -5.168 426 HG21 VAL 58 HG21 VAL 58 9.374 -1.666 -3.466 427 HG22 VAL 58 HG22 VAL 58 8.630 -2.963 -4.395 428 HG23 VAL 58 HG23 VAL 58 9.300 -1.550 -5.227 429 H SER 59 HN SER 59 10.506 -5.623 -4.175 430 HA SER 59 HA SER 59 8.173 -6.661 -5.592 431 HB2 SER 59 HB2 SER 59 10.262 -7.799 -6.408 432 HB3 SER 59 HB1 SER 59 10.524 -8.375 -4.766 433 HG SER 59 HG SER 59 9.155 -9.463 -6.645 434 H ILE 60 HN ILE 60 6.660 -7.419 -4.234 435 HA ILE 60 HA ILE 60 7.324 -7.874 -1.395 436 HB ILE 60 HB ILE 60 4.751 -6.753 -2.575 437 HG12 ILE 60 HG12 ILE 60 6.779 -5.401 -0.775 438 HG13 ILE 60 HG11 ILE 60 6.623 -5.122 -2.508 439 HG21 ILE 60 HG21 ILE 60 4.281 -8.174 -0.649 440 HG22 ILE 60 HG22 ILE 60 3.991 -6.484 -0.247 441 HG23 ILE 60 HG23 ILE 60 5.457 -7.284 0.319 442 HD11 ILE 60 HD11 ILE 60 4.545 -4.552 -0.416 443 HD12 ILE 60 HD12 ILE 60 4.381 -4.241 -2.147 444 HD13 ILE 60 HD13 ILE 60 5.593 -3.371 -1.201 445 HA PRO 61 HA PRO 61 5.877 -12.035 -2.366 446 HB2 PRO 61 HB2 PRO 61 5.388 -12.049 0.574 447 HB3 PRO 61 HB1 PRO 61 6.276 -13.210 -0.424 448 HG2 PRO 61 HG2 PRO 61 7.606 -11.518 1.116 449 HG3 PRO 61 HG1 PRO 61 8.182 -11.869 -0.526 450 HD2 PRO 61 HD2 PRO 61 6.708 -9.473 0.493 451 HD3 PRO 61 HD1 PRO 61 8.060 -9.559 -0.658 452 H ASP 62 HN ASP 62 3.935 -12.719 -2.916 453 HA ASP 62 HA ASP 62 1.595 -11.196 -2.625 454 HB2 ASP 62 HB2 ASP 62 0.401 -12.962 -3.730 455 HB3 ASP 62 HB1 ASP 62 1.987 -12.835 -4.466 456 H ASP 63 HN ASP 63 2.792 -13.882 -0.769 457 HA ASP 63 HA ASP 63 0.388 -14.205 0.729 458 HB2 ASP 63 HB2 ASP 63 1.764 -15.630 2.240 459 HB3 ASP 63 HB1 ASP 63 1.851 -16.103 0.549 460 H VAL 64 HN VAL 64 3.167 -12.179 0.976 461 HA VAL 64 HA VAL 64 2.607 -11.406 3.695 462 HB VAL 64 HB VAL 64 4.510 -10.174 1.649 463 HG11 VAL 64 HG11 VAL 64 5.464 -8.894 3.515 464 HG12 VAL 64 HG12 VAL 64 4.224 -9.533 4.594 465 HG13 VAL 64 HG13 VAL 64 3.769 -8.468 3.262 466 HG21 VAL 64 HG21 VAL 64 6.258 -11.155 3.055 467 HG22 VAL 64 HG22 VAL 64 5.169 -12.382 2.408 468 HG23 VAL 64 HG23 VAL 64 5.019 -11.870 4.088 469 H ALA 65 HN ALA 65 1.937 -10.187 0.465 470 HA ALA 65 HA ALA 65 0.702 -7.801 1.278 471 HB1 ALA 65 HB1 ALA 65 -0.002 -9.505 -1.128 472 HB2 ALA 65 HB2 ALA 65 1.238 -8.247 -1.095 473 HB3 ALA 65 HB3 ALA 65 -0.463 -7.823 -0.898 474 H GLY 66 HN GLY 66 -0.471 -11.088 1.081 475 HA2 GLY 66 HA2 GLY 66 -3.159 -10.397 1.851 476 HA3 GLY 66 HA1 GLY 66 -2.483 -12.020 1.770 477 H ARG 67 HN ARG 67 -0.256 -10.593 3.495 478 HA ARG 67 HA ARG 67 -1.527 -11.296 6.023 479 HB2 ARG 67 HB2 ARG 67 1.274 -11.575 5.031 480 HB3 ARG 67 HB1 ARG 67 0.990 -11.434 6.764 481 HG2 ARG 67 HG2 ARG 67 -0.472 -13.393 6.673 482 HG3 ARG 67 HG1 ARG 67 -0.247 -13.484 4.928 483 HD2 ARG 67 HD2 ARG 67 2.129 -13.926 5.251 484 HD3 ARG 67 HD1 ARG 67 1.931 -13.789 7.000 485 HE ARG 67 HE ARG 67 0.127 -15.677 6.287 486 HH11 ARG 67 HH11 ARG 67 3.611 -15.431 5.630 487 HH12 ARG 67 HH12 ARG 67 3.886 -17.106 5.772 488 HH21 ARG 67 HH21 ARG 67 0.522 -17.967 6.461 489 HH22 ARG 67 HH22 ARG 67 2.073 -18.592 6.174 490 H VAL 68 HN VAL 68 -1.038 -8.539 4.450 491 HA VAL 68 HA VAL 68 0.282 -7.122 6.558 492 HB VAL 68 HB VAL 68 -0.284 -5.008 5.285 493 HG11 VAL 68 HG11 VAL 68 1.160 -7.148 3.738 494 HG12 VAL 68 HG12 VAL 68 1.849 -6.120 4.996 495 HG13 VAL 68 HG13 VAL 68 1.303 -5.407 3.481 496 HG21 VAL 68 HG21 VAL 68 -1.319 -6.965 3.248 497 HG22 VAL 68 HG22 VAL 68 -1.080 -5.237 2.985 498 HG23 VAL 68 HG23 VAL 68 -2.288 -5.796 4.146 499 H ASP 69 HN ASP 69 -0.481 -5.629 7.857 500 HA ASP 69 HA ASP 69 -3.157 -6.189 8.896 501 HB2 ASP 69 HB2 ASP 69 -1.544 -6.394 10.544 502 HB3 ASP 69 HB1 ASP 69 -0.614 -5.018 9.980 503 H THR 70 HN THR 70 -1.345 -3.144 8.599 504 HA THR 70 HA THR 70 -3.820 -1.897 7.716 505 HB THR 70 HB THR 70 -3.133 0.085 9.201 506 HG1 THR 70 HG1 THR 70 -1.779 -1.900 10.674 507 HG21 THR 70 HG21 THR 70 -5.043 -1.365 9.787 508 HG22 THR 70 HG22 THR 70 -4.164 -0.864 11.239 509 HG23 THR 70 HG23 THR 70 -3.928 -2.485 10.577 510 HA PRO 71 HA PRO 71 -1.426 0.049 4.553 511 HB2 PRO 71 HB2 PRO 71 -2.294 2.664 5.712 512 HB3 PRO 71 HB1 PRO 71 -2.307 2.123 4.026 513 HG2 PRO 71 HG2 PRO 71 -4.551 2.132 5.407 514 HG3 PRO 71 HG1 PRO 71 -4.174 0.759 4.347 515 HD2 PRO 71 HD2 PRO 71 -4.027 0.953 7.321 516 HD3 PRO 71 HD1 PRO 71 -4.502 -0.421 6.300 517 H ARG 72 HN ARG 72 -1.093 1.656 7.724 518 HA ARG 72 HA ARG 72 1.383 2.843 7.373 519 HB2 ARG 72 HB2 ARG 72 0.056 3.164 9.420 520 HB3 ARG 72 HB1 ARG 72 0.403 1.508 9.911 521 HG2 ARG 72 HG2 ARG 72 2.798 2.052 10.005 522 HG3 ARG 72 HG1 ARG 72 2.428 3.716 9.561 523 HD2 ARG 72 HD2 ARG 72 1.498 2.282 12.046 524 HD3 ARG 72 HD1 ARG 72 2.793 3.471 11.960 525 HE ARG 72 HE ARG 72 -0.075 4.001 11.562 526 HH11 ARG 72 HH11 ARG 72 3.191 5.215 12.203 527 HH12 ARG 72 HH12 ARG 72 2.671 6.723 12.807 528 HH21 ARG 72 HH21 ARG 72 -0.784 6.063 12.240 529 HH22 ARG 72 HH22 ARG 72 0.333 7.270 12.746 530 H GLU 73 HN GLU 73 0.700 -0.498 8.223 531 HA GLU 73 HA GLU 73 3.387 -1.301 8.621 532 HB2 GLU 73 HB2 GLU 73 1.497 -2.555 9.508 533 HB3 GLU 73 HB1 GLU 73 0.948 -2.912 7.878 534 HG2 GLU 73 HG2 GLU 73 2.977 -4.193 7.478 535 HG3 GLU 73 HG1 GLU 73 3.524 -3.837 9.116 536 H LEU 74 HN LEU 74 1.243 -1.294 5.854 537 HA LEU 74 HA LEU 74 2.953 -2.695 4.071 538 HB2 LEU 74 HB2 LEU 74 0.464 -2.368 3.815 539 HB3 LEU 74 HB1 LEU 74 0.753 -0.689 3.450 540 HG LEU 74 HG LEU 74 0.182 -2.146 1.489 541 HD11 LEU 74 HD11 LEU 74 2.852 -0.780 1.335 542 HD12 LEU 74 HD12 LEU 74 1.275 -0.028 1.100 543 HD13 LEU 74 HD13 LEU 74 1.852 -1.244 -0.041 544 HD21 LEU 74 HD21 LEU 74 2.922 -3.303 1.975 545 HD22 LEU 74 HD22 LEU 74 1.921 -3.597 0.551 546 HD23 LEU 74 HD23 LEU 74 1.384 -4.151 2.136 547 H LEU 75 HN LEU 75 2.400 0.692 4.797 548 HA LEU 75 HA LEU 75 4.148 1.975 3.061 549 HB2 LEU 75 HB2 LEU 75 2.535 3.101 4.560 550 HB3 LEU 75 HB1 LEU 75 3.504 2.638 5.931 551 HG LEU 75 HG LEU 75 5.351 4.048 5.089 552 HD11 LEU 75 HD11 LEU 75 3.334 4.886 3.029 553 HD12 LEU 75 HD12 LEU 75 4.813 3.969 2.733 554 HD13 LEU 75 HD13 LEU 75 4.907 5.640 3.299 555 HD21 LEU 75 HD21 LEU 75 3.774 4.928 6.729 556 HD22 LEU 75 HD22 LEU 75 2.708 5.467 5.431 557 HD23 LEU 75 HD23 LEU 75 4.304 6.195 5.622 558 H ASP 76 HN ASP 76 4.681 0.773 6.323 559 HA ASP 76 HA ASP 76 7.381 1.431 6.640 560 HB2 ASP 76 HB2 ASP 76 5.912 0.810 8.491 561 HB3 ASP 76 HB1 ASP 76 5.813 -0.832 7.872 562 H LEU 77 HN LEU 77 5.856 -1.481 5.405 563 HA LEU 77 HA LEU 77 8.127 -3.106 5.153 564 HB2 LEU 77 HB2 LEU 77 5.665 -3.764 5.010 565 HB3 LEU 77 HB1 LEU 77 5.639 -3.128 3.391 566 HG LEU 77 HG LEU 77 5.724 -5.567 3.437 567 HD11 LEU 77 HD11 LEU 77 8.256 -4.406 2.318 568 HD12 LEU 77 HD12 LEU 77 6.696 -4.519 1.503 569 HD13 LEU 77 HD13 LEU 77 7.580 -5.987 1.917 570 HD21 LEU 77 HD21 LEU 77 7.723 -6.758 4.206 571 HD22 LEU 77 HD22 LEU 77 6.901 -5.905 5.515 572 HD23 LEU 77 HD23 LEU 77 8.377 -5.239 4.818 573 H ILE 78 HN ILE 78 6.536 -0.905 2.863 574 HA ILE 78 HA ILE 78 8.510 -1.425 0.883 575 HB ILE 78 HB ILE 78 6.396 0.768 0.889 576 HG12 ILE 78 HG12 ILE 78 6.480 -1.988 -0.356 577 HG13 ILE 78 HG11 ILE 78 5.412 -1.440 0.926 578 HG21 ILE 78 HG21 ILE 78 8.275 1.309 -0.605 579 HG22 ILE 78 HG22 ILE 78 6.824 0.922 -1.528 580 HG23 ILE 78 HG23 ILE 78 8.117 -0.271 -1.377 581 HD11 ILE 78 HD11 ILE 78 4.308 0.080 -0.658 582 HD12 ILE 78 HD12 ILE 78 4.256 -1.602 -1.194 583 HD13 ILE 78 HD13 ILE 78 5.395 -0.488 -1.931 584 H ASN 79 HN ASN 79 8.134 0.960 3.395 585 HA ASN 79 HA ASN 79 10.135 2.743 2.480 586 HB2 ASN 79 HB2 ASN 79 8.957 2.223 5.175 587 HB3 ASN 79 HB1 ASN 79 10.483 3.076 5.113 588 HD21 ASN 79 HD21 ASN 79 7.740 3.343 2.855 589 HD22 ASN 79 HD22 ASN 79 7.421 5.011 3.257 590 H GLY 80 HN GLY 80 10.312 -0.122 4.517 591 HA2 GLY 80 HA2 GLY 80 13.073 -0.022 5.064 592 HA3 GLY 80 HA1 GLY 80 12.086 -1.482 5.062 593 H ALA 81 HN ALA 81 11.253 -1.360 2.392 594 HA ALA 81 HA ALA 81 13.445 -2.607 1.100 595 HB1 ALA 81 HB1 ALA 81 11.941 -2.799 -0.824 596 HB2 ALA 81 HB2 ALA 81 10.811 -1.682 -0.062 597 HB3 ALA 81 HB3 ALA 81 11.114 -3.259 0.664 598 H LEU 82 HN LEU 82 11.833 0.550 0.676 599 HA LEU 82 HA LEU 82 13.343 1.343 -1.561 600 HB2 LEU 82 HB2 LEU 82 11.764 2.969 0.393 601 HB3 LEU 82 HB1 LEU 82 12.444 3.575 -1.099 602 HG LEU 82 HG LEU 82 10.261 1.541 -0.782 603 HD11 LEU 82 HD11 LEU 82 10.313 4.291 -1.993 604 HD12 LEU 82 HD12 LEU 82 9.558 3.825 -0.468 605 HD13 LEU 82 HD13 LEU 82 8.935 3.192 -1.990 606 HD21 LEU 82 HD21 LEU 82 10.173 1.463 -3.215 607 HD22 LEU 82 HD22 LEU 82 11.724 0.884 -2.601 608 HD23 LEU 82 HD23 LEU 82 11.599 2.501 -3.301 609 H ALA 83 HN ALA 83 13.916 1.583 1.851 610 HA ALA 83 HA ALA 83 15.751 3.707 1.890 611 HB1 ALA 83 HB1 ALA 83 14.772 2.710 3.923 612 HB2 ALA 83 HB2 ALA 83 16.539 2.775 3.989 613 HB3 ALA 83 HB3 ALA 83 15.733 1.253 3.633 614 H GLU 84 HN GLU 84 16.050 0.405 1.039 615 HA GLU 84 HA GLU 84 18.946 0.602 0.705 616 HB2 GLU 84 HB2 GLU 84 17.863 -1.326 1.884 617 HB3 GLU 84 HB1 GLU 84 17.090 -1.752 0.366 618 HG2 GLU 84 HG2 GLU 84 19.316 -2.048 -0.636 619 HG3 GLU 84 HG1 GLU 84 20.002 -1.660 0.953 620 H ALA 85 HN ALA 85 15.952 -0.205 -0.980 621 HA ALA 85 HA ALA 85 15.179 -0.050 -3.022 622 HB1 ALA 85 HB1 ALA 85 15.982 2.278 -2.930 623 HB2 ALA 85 HB2 ALA 85 16.033 1.621 -4.566 624 HB3 ALA 85 HB3 ALA 85 17.519 1.762 -3.626 625 H ALA 86 HN ALA 86 15.996 -0.193 -5.508 626 HA ALA 86 HA ALA 86 17.965 -2.336 -5.640 627 HB1 ALA 86 HB1 ALA 86 15.237 -2.299 -6.949 628 HB2 ALA 86 HB2 ALA 86 15.737 -3.361 -5.634 629 HB3 ALA 86 HB3 ALA 86 16.490 -3.511 -7.221 630 H281 PSR 87 H28A PSR 87 -8.176 -10.664 -6.907 631 H282 PSR 87 H28B PSR 87 -7.765 -9.433 -5.711 632 H301 PSR 87 H30A PSR 87 -5.830 -10.823 -7.528 633 H302 PSR 87 H30B PSR 87 -4.580 -11.019 -6.288 634 H303 PSR 87 H30C PSR 87 -5.558 -9.548 -6.347 635 H311 PSR 87 H31A PSR 87 -6.004 -9.872 -3.991 636 H312 PSR 87 H31B PSR 87 -5.214 -11.438 -3.920 637 H313 PSR 87 H31C PSR 87 -6.904 -11.283 -3.446 638 H321 PSR 87 H32A PSR 87 -5.734 -13.274 -5.602 639 H331 PSR 87 H33A PSR 87 -7.765 -13.451 -7.223 640 H361 PSR 87 H36A PSR 87 -7.027 -13.126 -3.420 641 H371 PSR 87 H37A PSR 87 -9.747 -14.143 -3.582 642 H372 PSR 87 H37B PSR 87 -8.542 -15.236 -2.877 643 H381 PSR 87 H38A PSR 87 -9.140 -12.435 -1.921 644 H382 PSR 87 H38B PSR 87 -9.862 -13.879 -1.246 645 H411 PSR 87 H41A PSR 87 -8.054 -11.792 -0.193 646 H421 PSR 87 H42A PSR 87 -6.839 -12.460 1.882 647 H422 PSR 87 H42B PSR 87 -5.803 -13.410 0.803 648 H431 PSR 87 H43A PSR 87 -4.790 -11.263 1.362 649 H432 PSR 87 H43B PSR 87 -6.192 -10.431 0.652 650 HC21 PSR 87 H2A PSR 87 -2.842 -8.691 -2.183 651 HC22 PSR 87 H2B PSR 87 -3.957 -9.679 -3.117 652 HC31 PSR 87 H3A PSR 87 -2.672 -11.689 -2.571 653 HC32 PSR 87 H3B PSR 87 -1.541 -10.703 -1.623 654 HC41 PSR 87 H4C PSR 87 -0.673 -11.161 -3.858 655 HC42 PSR 87 H4A PSR 87 -0.987 -9.439 -3.644 656 HC43 PSR 87 H4B PSR 87 -2.111 -10.430 -4.574 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 21.219 9.028 3.873 2 H2 MET 1 HT2 MET 1 21.344 10.664 3.521 3 H3 MET 1 HT3 MET 1 21.287 9.510 2.279 4 HA MET 1 HA MET 1 19.083 10.016 4.184 5 HB2 MET 1 HB2 MET 1 19.283 10.555 1.211 6 HB3 MET 1 HB1 MET 1 17.811 10.679 2.150 7 HG2 MET 1 HG2 MET 1 18.862 12.482 3.459 8 HG3 MET 1 HG1 MET 1 20.273 12.381 2.402 9 HE1 MET 1 HE1 MET 1 18.716 15.097 2.848 10 HE2 MET 1 HE2 MET 1 18.628 15.706 1.194 11 HE3 MET 1 HE3 MET 1 20.104 14.929 1.771 12 H ALA 2 HN ALA 2 17.080 8.922 3.242 13 HA ALA 2 HA ALA 2 17.710 6.469 1.817 14 HB1 ALA 2 HB1 ALA 2 16.108 6.641 4.387 15 HB2 ALA 2 HB2 ALA 2 17.675 5.854 4.198 16 HB3 ALA 2 HB3 ALA 2 16.259 5.205 3.373 17 H THR 3 HN THR 3 16.225 6.192 0.236 18 HA THR 3 HA THR 3 14.136 8.143 0.043 19 HB THR 3 HB THR 3 13.710 6.862 -2.134 20 HG1 THR 3 HG1 THR 3 15.290 5.421 -2.746 21 HG21 THR 3 HG21 THR 3 15.068 8.905 -2.049 22 HG22 THR 3 HG22 THR 3 15.720 7.753 -3.217 23 HG23 THR 3 HG23 THR 3 16.489 7.943 -1.641 24 H LEU 4 HN LEU 4 12.457 7.797 1.333 25 HA LEU 4 HA LEU 4 11.303 5.101 1.462 26 HB2 LEU 4 HB2 LEU 4 11.271 7.217 3.622 27 HB3 LEU 4 HB1 LEU 4 10.584 5.614 3.734 28 HG LEU 4 HG LEU 4 13.523 6.287 3.580 29 HD11 LEU 4 HD11 LEU 4 13.593 5.436 5.872 30 HD12 LEU 4 HD12 LEU 4 11.842 5.231 5.841 31 HD13 LEU 4 HD13 LEU 4 12.544 6.846 5.717 32 HD21 LEU 4 HD21 LEU 4 13.065 4.165 2.464 33 HD22 LEU 4 HD22 LEU 4 12.169 3.603 3.874 34 HD23 LEU 4 HD23 LEU 4 13.904 3.897 3.992 35 H LEU 5 HN LEU 5 8.978 5.165 1.842 36 HA LEU 5 HA LEU 5 7.724 7.241 0.279 37 HB2 LEU 5 HB2 LEU 5 6.682 4.775 1.632 38 HB3 LEU 5 HB1 LEU 5 5.674 5.877 0.715 39 HG LEU 5 HG LEU 5 7.949 4.237 -0.403 40 HD11 LEU 5 HD11 LEU 5 6.016 2.888 0.244 41 HD12 LEU 5 HD12 LEU 5 6.166 2.986 -1.510 42 HD13 LEU 5 HD13 LEU 5 4.958 3.961 -0.672 43 HD21 LEU 5 HD21 LEU 5 7.109 5.001 -2.569 44 HD22 LEU 5 HD22 LEU 5 7.640 6.357 -1.568 45 HD23 LEU 5 HD23 LEU 5 5.919 6.009 -1.740 46 H THR 6 HN THR 6 6.318 8.699 1.059 47 HA THR 6 HA THR 6 6.249 8.982 3.956 48 HB THR 6 HB THR 6 5.392 11.267 3.469 49 HG1 THR 6 HG1 THR 6 5.919 10.547 0.742 50 HG21 THR 6 HG21 THR 6 7.962 10.571 2.038 51 HG22 THR 6 HG22 THR 6 7.802 10.927 3.758 52 HG23 THR 6 HG23 THR 6 7.487 12.185 2.564 53 H THR 7 HN THR 7 4.061 10.067 4.661 54 HA THR 7 HA THR 7 1.938 8.288 4.316 55 HB THR 7 HB THR 7 1.751 11.223 5.071 56 HG1 THR 7 HG1 THR 7 2.989 9.122 6.331 57 HG21 THR 7 HG21 THR 7 0.037 8.838 5.819 58 HG22 THR 7 HG22 THR 7 -0.419 10.116 4.692 59 HG23 THR 7 HG23 THR 7 -0.191 10.488 6.400 60 H ASP 8 HN ASP 8 2.740 11.337 2.745 61 HA ASP 8 HA ASP 8 0.513 11.734 1.115 62 HB2 ASP 8 HB2 ASP 8 2.344 13.364 1.519 63 HB3 ASP 8 HB1 ASP 8 3.391 12.401 0.486 64 H ASP 9 HN ASP 9 3.483 9.959 0.470 65 HA ASP 9 HA ASP 9 2.899 9.253 -2.231 66 HB2 ASP 9 HB2 ASP 9 4.711 7.802 -0.288 67 HB3 ASP 9 HB1 ASP 9 4.662 7.542 -2.021 68 H LEU 10 HN LEU 10 2.439 7.643 0.829 69 HA LEU 10 HA LEU 10 1.397 5.239 -0.226 70 HB2 LEU 10 HB2 LEU 10 2.307 5.524 2.041 71 HB3 LEU 10 HB1 LEU 10 0.939 6.528 2.457 72 HG LEU 10 HG LEU 10 -0.536 4.546 2.008 73 HD11 LEU 10 HD11 LEU 10 2.092 3.075 1.916 74 HD12 LEU 10 HD12 LEU 10 0.958 3.283 0.579 75 HD13 LEU 10 HD13 LEU 10 0.494 2.330 1.988 76 HD21 LEU 10 HD21 LEU 10 -0.010 3.450 4.129 77 HD22 LEU 10 HD22 LEU 10 0.075 5.205 4.264 78 HD23 LEU 10 HD23 LEU 10 1.558 4.255 4.153 79 H ARG 11 HN ARG 11 -0.031 8.270 0.819 80 HA ARG 11 HA ARG 11 -2.729 7.687 0.848 81 HB2 ARG 11 HB2 ARG 11 -1.483 9.880 1.434 82 HB3 ARG 11 HB1 ARG 11 -1.708 10.282 -0.262 83 HG2 ARG 11 HG2 ARG 11 -4.193 9.792 0.169 84 HG3 ARG 11 HG1 ARG 11 -3.754 9.915 1.879 85 HD2 ARG 11 HD2 ARG 11 -3.474 12.025 -0.256 86 HD3 ARG 11 HD1 ARG 11 -4.545 12.053 1.137 87 HE ARG 11 HE ARG 11 -2.622 12.348 2.532 88 HH11 ARG 11 HH11 ARG 11 -2.021 12.729 -0.972 89 HH12 ARG 11 HH12 ARG 11 -0.664 13.751 -0.726 90 HH21 ARG 11 HH21 ARG 11 -0.786 13.872 2.775 91 HH22 ARG 11 HH22 ARG 11 0.013 14.382 1.338 92 H ARG 12 HN ARG 12 -0.844 9.017 -1.862 93 HA ARG 12 HA ARG 12 -2.915 8.969 -3.734 94 HB2 ARG 12 HB2 ARG 12 -1.186 9.096 -5.509 95 HB3 ARG 12 HB1 ARG 12 -0.981 10.280 -4.231 96 HG2 ARG 12 HG2 ARG 12 0.851 9.051 -3.303 97 HG3 ARG 12 HG1 ARG 12 0.556 7.700 -4.396 98 HD2 ARG 12 HD2 ARG 12 2.467 9.079 -5.098 99 HD3 ARG 12 HD1 ARG 12 1.180 9.060 -6.295 100 HE ARG 12 HE ARG 12 0.549 11.279 -5.123 101 HH11 ARG 12 HH11 ARG 12 3.912 10.170 -5.594 102 HH12 ARG 12 HH12 ARG 12 4.511 11.739 -5.872 103 HH21 ARG 12 HH21 ARG 12 1.420 13.413 -5.514 104 HH22 ARG 12 HH22 ARG 12 3.082 13.589 -5.885 105 H ALA 13 HN ALA 13 -0.749 6.416 -2.775 106 HA ALA 13 HA ALA 13 -1.333 4.659 -4.914 107 HB1 ALA 13 HB1 ALA 13 -0.348 2.928 -3.500 108 HB2 ALA 13 HB2 ALA 13 -0.407 4.020 -2.115 109 HB3 ALA 13 HB3 ALA 13 0.638 4.390 -3.487 110 H LEU 14 HN LEU 14 -2.610 4.917 -1.621 111 HA LEU 14 HA LEU 14 -4.547 2.885 -1.996 112 HB2 LEU 14 HB2 LEU 14 -4.177 5.002 0.090 113 HB3 LEU 14 HB1 LEU 14 -5.668 4.088 0.045 114 HG LEU 14 HG LEU 14 -4.168 3.178 1.707 115 HD11 LEU 14 HD11 LEU 14 -4.088 0.851 1.003 116 HD12 LEU 14 HD12 LEU 14 -4.431 1.353 -0.656 117 HD13 LEU 14 HD13 LEU 14 -5.626 1.625 0.611 118 HD21 LEU 14 HD21 LEU 14 -2.043 2.110 1.114 119 HD22 LEU 14 HD22 LEU 14 -2.018 3.841 0.778 120 HD23 LEU 14 HD23 LEU 14 -2.221 2.690 -0.543 121 H VAL 15 HN VAL 15 -4.654 6.350 -2.452 122 HA VAL 15 HA VAL 15 -7.383 6.451 -3.119 123 HB VAL 15 HB VAL 15 -5.099 8.315 -3.866 124 HG11 VAL 15 HG11 VAL 15 -6.786 9.954 -4.567 125 HG12 VAL 15 HG12 VAL 15 -8.057 8.756 -4.318 126 HG13 VAL 15 HG13 VAL 15 -6.851 8.514 -5.584 127 HG21 VAL 15 HG21 VAL 15 -7.367 8.570 -1.905 128 HG22 VAL 15 HG22 VAL 15 -6.142 9.797 -2.225 129 HG23 VAL 15 HG23 VAL 15 -5.678 8.252 -1.514 130 H GLU 16 HN GLU 16 -4.637 5.373 -4.946 131 HA GLU 16 HA GLU 16 -5.684 5.709 -7.556 132 HB2 GLU 16 HB2 GLU 16 -3.318 5.499 -7.227 133 HB3 GLU 16 HB1 GLU 16 -3.502 3.936 -6.454 134 HG2 GLU 16 HG2 GLU 16 -2.606 3.661 -8.664 135 HG3 GLU 16 HG1 GLU 16 -4.230 2.990 -8.599 136 H SER 17 HN SER 17 -5.434 2.727 -5.557 137 HA SER 17 HA SER 17 -6.915 1.313 -7.531 138 HB2 SER 17 HB2 SER 17 -6.507 -0.612 -5.747 139 HB3 SER 17 HB1 SER 17 -5.202 0.089 -6.674 140 HG SER 17 HG SER 17 -5.929 0.932 -4.067 141 H ALA 18 HN ALA 18 -7.919 3.313 -5.179 142 HA ALA 18 HA ALA 18 -10.492 1.919 -4.879 143 HB1 ALA 18 HB1 ALA 18 -10.896 3.376 -2.937 144 HB2 ALA 18 HB2 ALA 18 -9.327 4.142 -3.187 145 HB3 ALA 18 HB3 ALA 18 -9.414 2.441 -2.731 146 H GLY 19 HN GLY 19 -8.957 4.051 -6.740 147 HA2 GLY 19 HA2 GLY 19 -10.625 6.354 -6.754 148 HA3 GLY 19 HA1 GLY 19 -9.415 5.929 -7.954 149 H GLU 20 HN GLU 20 -11.345 3.354 -7.714 150 HA GLU 20 HA GLU 20 -12.864 4.028 -10.078 151 HB2 GLU 20 HB2 GLU 20 -12.735 1.538 -8.403 152 HB3 GLU 20 HB1 GLU 20 -13.588 1.639 -9.951 153 HG2 GLU 20 HG2 GLU 20 -10.638 1.773 -9.383 154 HG3 GLU 20 HG1 GLU 20 -11.509 0.535 -10.286 155 H THR 21 HN THR 21 -13.139 4.601 -6.981 156 HA THR 21 HA THR 21 -14.673 5.285 -5.543 157 HB THR 21 HB THR 21 -16.677 5.207 -7.838 158 HG1 THR 21 HG1 THR 21 -14.550 6.893 -7.136 159 HG21 THR 21 HG21 THR 21 -17.745 7.062 -6.608 160 HG22 THR 21 HG22 THR 21 -16.496 6.972 -5.368 161 HG23 THR 21 HG23 THR 21 -17.633 5.639 -5.571 162 H ASP 22 HN ASP 22 -14.033 2.959 -5.110 163 HA ASP 22 HA ASP 22 -16.337 1.166 -5.007 164 HB2 ASP 22 HB2 ASP 22 -13.421 0.724 -4.315 165 HB3 ASP 22 HB1 ASP 22 -14.676 -0.456 -3.994 166 H GLY 23 HN GLY 23 -17.471 0.919 -3.271 167 HA2 GLY 23 HA2 GLY 23 -18.295 1.041 -1.159 168 HA3 GLY 23 HA1 GLY 23 -16.668 0.626 -0.666 169 H THR 24 HN THR 24 -15.425 2.088 0.170 170 HA THR 24 HA THR 24 -16.494 4.769 0.628 171 HB THR 24 HB THR 24 -16.833 3.620 2.698 172 HG1 THR 24 HG1 THR 24 -16.083 5.487 3.402 173 HG21 THR 24 HG21 THR 24 -15.058 2.402 3.922 174 HG22 THR 24 HG22 THR 24 -13.964 2.656 2.564 175 HG23 THR 24 HG23 THR 24 -15.403 1.657 2.359 176 H ASP 25 HN ASP 25 -15.275 6.027 -0.546 177 HA ASP 25 HA ASP 25 -12.573 5.352 -1.217 178 HB2 ASP 25 HB2 ASP 25 -14.030 6.508 -2.848 179 HB3 ASP 25 HB1 ASP 25 -14.123 7.896 -1.777 180 H LEU 26 HN LEU 26 -11.294 5.361 0.349 181 HA LEU 26 HA LEU 26 -11.199 6.675 2.701 182 HB2 LEU 26 HB2 LEU 26 -8.759 6.080 2.733 183 HB3 LEU 26 HB1 LEU 26 -9.875 4.776 2.401 184 HG LEU 26 HG LEU 26 -9.278 5.343 -0.109 185 HD11 LEU 26 HD11 LEU 26 -6.812 6.297 1.312 186 HD12 LEU 26 HD12 LEU 26 -7.898 7.262 0.314 187 HD13 LEU 26 HD13 LEU 26 -6.950 5.965 -0.417 188 HD21 LEU 26 HD21 LEU 26 -7.472 3.789 1.726 189 HD22 LEU 26 HD22 LEU 26 -7.525 3.634 -0.032 190 HD23 LEU 26 HD23 LEU 26 -8.931 3.190 0.935 191 H SER 27 HN SER 27 -9.670 7.805 -0.233 192 HA SER 27 HA SER 27 -8.726 9.771 -0.874 193 HB2 SER 27 HB2 SER 27 -10.304 11.755 -0.430 194 HB3 SER 27 HB1 SER 27 -10.925 10.368 -1.319 195 HG SER 27 HG SER 27 -11.986 9.688 0.482 196 H GLY 28 HN GLY 28 -7.523 8.998 1.628 197 HA2 GLY 28 HA2 GLY 28 -5.714 10.657 2.321 198 HA3 GLY 28 HA1 GLY 28 -7.067 11.674 2.795 199 H ASP 29 HN ASP 29 -8.686 9.589 3.926 200 HA ASP 29 HA ASP 29 -7.000 9.016 6.252 201 HB2 ASP 29 HB2 ASP 29 -8.990 10.446 6.727 202 HB3 ASP 29 HB1 ASP 29 -10.026 9.121 6.187 203 H PHE 30 HN PHE 30 -6.314 7.132 6.283 204 HA PHE 30 HA PHE 30 -7.887 4.775 5.623 205 HB2 PHE 30 HB2 PHE 30 -6.671 4.144 3.577 206 HB3 PHE 30 HB1 PHE 30 -7.294 5.761 3.421 207 HD1 PHE 30 HD2 PHE 30 -5.834 7.734 3.555 208 HD2 PHE 30 HD1 PHE 30 -4.268 3.795 3.618 209 HE1 PHE 30 HE2 PHE 30 -3.590 8.619 3.093 210 HE2 PHE 30 HE1 PHE 30 -2.034 4.672 3.165 211 HZ PHE 30 HZ PHE 30 -1.688 7.084 2.898 212 H LEU 31 HN LEU 31 -5.034 6.330 6.796 213 HA LEU 31 HA LEU 31 -3.063 4.475 6.529 214 HB2 LEU 31 HB2 LEU 31 -2.720 6.789 6.977 215 HB3 LEU 31 HB1 LEU 31 -3.384 6.631 8.591 216 HG LEU 31 HG LEU 31 -1.448 5.207 9.207 217 HD11 LEU 31 HD11 LEU 31 0.474 5.093 7.704 218 HD12 LEU 31 HD12 LEU 31 -0.442 5.932 6.454 219 HD13 LEU 31 HD13 LEU 31 -0.937 4.322 6.981 220 HD21 LEU 31 HD21 LEU 31 0.188 7.018 9.228 221 HD22 LEU 31 HD22 LEU 31 -1.427 7.602 9.632 222 HD23 LEU 31 HD23 LEU 31 -0.761 7.891 8.025 223 H ASP 32 HN ASP 32 -5.077 4.821 9.483 224 HA ASP 32 HA ASP 32 -3.841 2.307 10.407 225 HB2 ASP 32 HB2 ASP 32 -4.550 2.778 12.624 226 HB3 ASP 32 HB1 ASP 32 -3.982 4.311 11.989 227 H LEU 33 HN LEU 33 -6.175 2.860 8.441 228 HA LEU 33 HA LEU 33 -8.302 1.399 9.737 229 HB2 LEU 33 HB2 LEU 33 -8.060 2.656 6.995 230 HB3 LEU 33 HB1 LEU 33 -9.438 1.686 7.464 231 HG LEU 33 HG LEU 33 -9.969 3.364 9.237 232 HD11 LEU 33 HD11 LEU 33 -8.949 5.576 9.182 233 HD12 LEU 33 HD12 LEU 33 -7.777 5.011 7.990 234 HD13 LEU 33 HD13 LEU 33 -7.777 4.332 9.618 235 HD21 LEU 33 HD21 LEU 33 -10.806 5.088 7.722 236 HD22 LEU 33 HD22 LEU 33 -11.075 3.465 7.085 237 HD23 LEU 33 HD23 LEU 33 -9.771 4.460 6.443 238 H ARG 34 HN ARG 34 -9.013 -0.635 9.090 239 HA ARG 34 HA ARG 34 -6.848 -2.356 8.238 240 HB2 ARG 34 HB2 ARG 34 -8.899 -2.719 9.980 241 HB3 ARG 34 HB1 ARG 34 -9.664 -3.358 8.539 242 HG2 ARG 34 HG2 ARG 34 -7.041 -4.363 9.654 243 HG3 ARG 34 HG1 ARG 34 -8.610 -5.063 10.021 244 HD2 ARG 34 HD2 ARG 34 -8.899 -5.745 7.738 245 HD3 ARG 34 HD1 ARG 34 -7.480 -4.817 7.241 246 HE ARG 34 HE ARG 34 -6.389 -6.446 8.990 247 HH11 ARG 34 HH11 ARG 34 -8.990 -7.556 6.935 248 HH12 ARG 34 HH12 ARG 34 -8.138 -8.858 6.231 249 HH21 ARG 34 HH21 ARG 34 -5.168 -8.338 8.114 250 HH22 ARG 34 HH22 ARG 34 -5.893 -9.290 6.906 251 H PHE 35 HN PHE 35 -6.642 -3.212 6.214 252 HA PHE 35 HA PHE 35 -7.516 -1.833 4.050 253 HB2 PHE 35 HB2 PHE 35 -6.576 -4.664 4.177 254 HB3 PHE 35 HB1 PHE 35 -6.994 -3.894 2.652 255 HD1 PHE 35 HD2 PHE 35 -5.870 -1.538 2.308 256 HD2 PHE 35 HD1 PHE 35 -4.433 -4.584 4.887 257 HE1 PHE 35 HE2 PHE 35 -3.638 -0.537 2.245 258 HE2 PHE 35 HE1 PHE 35 -2.194 -3.589 4.840 259 HZ PHE 35 HZ PHE 35 -1.776 -1.603 3.359 260 H GLU 36 HN GLU 36 -9.015 -4.893 4.966 261 HA GLU 36 HA GLU 36 -10.967 -5.001 3.011 262 HB2 GLU 36 HB2 GLU 36 -12.240 -6.420 4.489 263 HB3 GLU 36 HB1 GLU 36 -10.523 -6.774 4.643 264 HG2 GLU 36 HG2 GLU 36 -10.464 -5.347 6.657 265 HG3 GLU 36 HG1 GLU 36 -12.215 -5.175 6.530 266 H ASP 37 HN ASP 37 -10.869 -2.883 5.752 267 HA ASP 37 HA ASP 37 -13.677 -2.252 5.624 268 HB2 ASP 37 HB2 ASP 37 -12.544 -2.470 7.798 269 HB3 ASP 37 HB1 ASP 37 -11.465 -1.154 7.369 270 H ILE 38 HN ILE 38 -10.813 -1.226 4.170 271 HA ILE 38 HA ILE 38 -12.159 1.215 3.301 272 HB ILE 38 HB ILE 38 -9.975 1.955 2.303 273 HG12 ILE 38 HG12 ILE 38 -8.817 -0.399 3.826 274 HG13 ILE 38 HG11 ILE 38 -8.899 -0.277 2.079 275 HG21 ILE 38 HG21 ILE 38 -10.668 2.819 4.430 276 HG22 ILE 38 HG22 ILE 38 -8.917 2.600 4.412 277 HG23 ILE 38 HG23 ILE 38 -9.942 1.447 5.263 278 HD11 ILE 38 HD11 ILE 38 -7.364 1.641 2.169 279 HD12 ILE 38 HD12 ILE 38 -6.679 0.172 2.859 280 HD13 ILE 38 HD13 ILE 38 -7.262 1.456 3.923 281 H GLY 39 HN GLY 39 -12.524 -1.642 2.526 282 HA2 GLY 39 HA2 GLY 39 -13.489 -2.539 0.611 283 HA3 GLY 39 HA1 GLY 39 -12.984 -1.109 -0.275 284 H TYR 40 HN TYR 40 -10.475 -2.584 1.485 285 HA TYR 40 HA TYR 40 -9.390 -3.602 -1.010 286 HB2 TYR 40 HB2 TYR 40 -8.194 -2.547 1.511 287 HB3 TYR 40 HB1 TYR 40 -7.236 -3.567 0.455 288 HD1 TYR 40 HD2 TYR 40 -9.593 -0.677 0.037 289 HD2 TYR 40 HD1 TYR 40 -5.851 -2.416 -0.921 290 HE1 TYR 40 HE2 TYR 40 -9.092 1.229 -1.420 291 HE2 TYR 40 HE1 TYR 40 -5.350 -0.527 -2.377 292 HH TYR 40 HH TYR 40 -7.114 2.337 -2.428 293 H ASP 41 HN ASP 41 -9.983 -5.603 -1.230 294 HA ASP 41 HA ASP 41 -10.136 -7.484 0.999 295 HB2 ASP 41 HB2 ASP 41 -10.406 -8.039 -1.972 296 HB3 ASP 41 HB1 ASP 41 -10.895 -9.091 -0.656 297 H SER 42 HN SER 42 -8.434 -7.015 -1.984 298 HA SER 42 HA SER 42 -5.914 -8.049 -1.380 299 HB2 SER 42 HB2 SER 42 -6.226 -10.281 -2.607 300 HB3 SER 42 HB1 SER 42 -6.973 -10.201 -1.006 301 H LEU 43 HN LEU 43 -8.537 -8.054 -3.667 302 HA LEU 43 HA LEU 43 -7.269 -7.759 -6.126 303 HB2 LEU 43 HB2 LEU 43 -9.636 -8.185 -5.581 304 HB3 LEU 43 HB1 LEU 43 -9.824 -6.478 -5.211 305 HG LEU 43 HG LEU 43 -9.248 -7.667 -7.950 306 HD11 LEU 43 HD11 LEU 43 -11.536 -6.997 -8.474 307 HD12 LEU 43 HD12 LEU 43 -11.762 -6.478 -6.803 308 HD13 LEU 43 HD13 LEU 43 -11.477 -8.180 -7.167 309 HD21 LEU 43 HD21 LEU 43 -9.725 -5.434 -8.833 310 HD22 LEU 43 HD22 LEU 43 -8.343 -5.385 -7.737 311 HD23 LEU 43 HD23 LEU 43 -9.920 -4.815 -7.192 312 H ALA 44 HN ALA 44 -8.669 -5.158 -4.136 313 HA ALA 44 HA ALA 44 -7.438 -3.114 -5.608 314 HB1 ALA 44 HB1 ALA 44 -8.434 -3.010 -2.765 315 HB2 ALA 44 HB2 ALA 44 -9.412 -2.751 -4.210 316 HB3 ALA 44 HB3 ALA 44 -8.110 -1.625 -3.809 317 H LEU 45 HN LEU 45 -6.330 -5.021 -2.922 318 HA LEU 45 HA LEU 45 -4.219 -3.394 -2.036 319 HB2 LEU 45 HB2 LEU 45 -5.031 -6.179 -1.661 320 HB3 LEU 45 HB1 LEU 45 -3.316 -5.881 -1.466 321 HG LEU 45 HG LEU 45 -5.467 -4.407 0.074 322 HD11 LEU 45 HD11 LEU 45 -5.299 -6.861 0.599 323 HD12 LEU 45 HD12 LEU 45 -4.758 -5.790 1.917 324 HD13 LEU 45 HD13 LEU 45 -3.569 -6.583 0.893 325 HD21 LEU 45 HD21 LEU 45 -3.402 -3.179 -0.225 326 HD22 LEU 45 HD22 LEU 45 -2.504 -4.615 0.279 327 HD23 LEU 45 HD23 LEU 45 -3.562 -3.786 1.437 328 H MET 46 HN MET 46 -4.255 -6.043 -4.335 329 HA MET 46 HA MET 46 -1.495 -6.000 -4.847 330 HB2 MET 46 HB2 MET 46 -2.009 -7.476 -6.735 331 HB3 MET 46 HB1 MET 46 -2.985 -7.895 -5.333 332 HG2 MET 46 HG2 MET 46 -4.460 -8.085 -6.930 333 HG3 MET 46 HG1 MET 46 -4.725 -6.422 -6.375 334 HE1 MET 46 HE1 MET 46 -2.493 -7.423 -10.314 335 HE2 MET 46 HE2 MET 46 -3.200 -8.648 -9.261 336 HE3 MET 46 HE3 MET 46 -1.811 -7.709 -8.712 337 H GLU 47 HN GLU 47 -4.141 -4.152 -6.113 338 HA GLU 47 HA GLU 47 -2.854 -3.136 -8.422 339 HB2 GLU 47 HB2 GLU 47 -5.376 -3.208 -7.535 340 HB3 GLU 47 HB1 GLU 47 -4.994 -1.605 -6.963 341 HG2 GLU 47 HG2 GLU 47 -4.927 -2.590 -9.817 342 HG3 GLU 47 HG1 GLU 47 -6.141 -1.549 -9.097 343 H THR 48 HN THR 48 -3.295 -1.998 -5.072 344 HA THR 48 HA THR 48 -1.903 0.440 -5.133 345 HB THR 48 HB THR 48 -1.864 -1.543 -2.844 346 HG1 THR 48 HG1 THR 48 -4.015 -0.087 -3.912 347 HG21 THR 48 HG21 THR 48 -1.969 0.472 -1.463 348 HG22 THR 48 HG22 THR 48 -1.989 1.472 -2.915 349 HG23 THR 48 HG23 THR 48 -0.565 0.504 -2.531 350 H ALA 49 HN ALA 49 -0.852 -2.796 -4.098 351 HA ALA 49 HA ALA 49 1.780 -2.216 -3.471 352 HB1 ALA 49 HB1 ALA 49 2.175 -4.610 -3.553 353 HB2 ALA 49 HB2 ALA 49 0.679 -4.849 -4.447 354 HB3 ALA 49 HB3 ALA 49 0.626 -4.279 -2.778 355 H ALA 50 HN ALA 50 0.555 -3.730 -6.476 356 HA ALA 50 HA ALA 50 3.022 -3.932 -7.737 357 HB1 ALA 50 HB1 ALA 50 1.796 -4.255 -9.802 358 HB2 ALA 50 HB2 ALA 50 0.336 -3.596 -9.064 359 HB3 ALA 50 HB3 ALA 50 1.010 -5.119 -8.481 360 H ARG 51 HN ARG 51 0.860 -1.201 -7.504 361 HA ARG 51 HA ARG 51 1.973 0.352 -9.589 362 HB2 ARG 51 HB2 ARG 51 -0.203 0.913 -8.491 363 HB3 ARG 51 HB1 ARG 51 0.668 1.332 -7.021 364 HG2 ARG 51 HG2 ARG 51 0.144 3.360 -8.148 365 HG3 ARG 51 HG1 ARG 51 1.878 3.084 -8.333 366 HD2 ARG 51 HD2 ARG 51 1.418 3.542 -10.514 367 HD3 ARG 51 HD1 ARG 51 0.997 1.822 -10.491 368 HE ARG 51 HE ARG 51 -1.112 3.735 -9.941 369 HH11 ARG 51 HH11 ARG 51 0.153 1.260 -12.114 370 HH12 ARG 51 HH12 ARG 51 -1.069 1.442 -13.285 371 HH21 ARG 51 HH21 ARG 51 -2.773 4.011 -11.514 372 HH22 ARG 51 HH22 ARG 51 -2.844 3.078 -12.929 373 H LEU 52 HN LEU 52 2.528 0.403 -6.091 374 HA LEU 52 HA LEU 52 4.694 2.236 -6.254 375 HB2 LEU 52 HB2 LEU 52 3.865 0.405 -4.021 376 HB3 LEU 52 HB1 LEU 52 5.106 1.638 -3.886 377 HG LEU 52 HG LEU 52 2.181 2.137 -4.455 378 HD11 LEU 52 HD11 LEU 52 2.608 1.451 -2.166 379 HD12 LEU 52 HD12 LEU 52 2.161 3.159 -2.248 380 HD13 LEU 52 HD13 LEU 52 3.850 2.696 -2.022 381 HD21 LEU 52 HD21 LEU 52 2.749 4.509 -4.206 382 HD22 LEU 52 HD22 LEU 52 3.605 3.783 -5.568 383 HD23 LEU 52 HD23 LEU 52 4.454 4.084 -4.052 384 H GLU 53 HN GLU 53 4.544 -1.280 -6.057 385 HA GLU 53 HA GLU 53 7.234 -1.792 -5.698 386 HB2 GLU 53 HB2 GLU 53 5.169 -3.391 -7.195 387 HB3 GLU 53 HB1 GLU 53 6.791 -3.975 -6.870 388 HG2 GLU 53 HG2 GLU 53 6.321 -3.741 -4.439 389 HG3 GLU 53 HG1 GLU 53 4.680 -3.274 -4.859 390 H SER 54 HN SER 54 5.431 -1.632 -8.759 391 HA SER 54 HA SER 54 7.644 -2.088 -10.434 392 HB2 SER 54 HB2 SER 54 5.105 -0.610 -11.102 393 HB3 SER 54 HB1 SER 54 6.208 -1.373 -12.245 394 HG SER 54 HG SER 54 4.400 -2.517 -10.439 395 H ARG 55 HN ARG 55 6.283 0.874 -9.119 396 HA ARG 55 HA ARG 55 7.548 2.654 -10.865 397 HB2 ARG 55 HB2 ARG 55 5.598 3.276 -9.486 398 HB3 ARG 55 HB1 ARG 55 6.591 3.177 -8.039 399 HG2 ARG 55 HG2 ARG 55 7.955 5.025 -8.816 400 HG3 ARG 55 HG1 ARG 55 7.045 5.081 -10.324 401 HD2 ARG 55 HD2 ARG 55 5.018 5.691 -9.081 402 HD3 ARG 55 HD1 ARG 55 5.920 5.621 -7.564 403 HE ARG 55 HE ARG 55 7.395 7.317 -8.943 404 HH11 ARG 55 HH11 ARG 55 3.833 7.362 -8.366 405 HH12 ARG 55 HH12 ARG 55 3.684 9.018 -8.655 406 HH21 ARG 55 HH21 ARG 55 7.129 9.656 -9.242 407 HH22 ARG 55 HH22 ARG 55 5.598 10.356 -9.094 408 H TYR 56 HN TYR 56 8.644 1.314 -7.766 409 HA TYR 56 HA TYR 56 11.130 2.826 -8.182 410 HB2 TYR 56 HB2 TYR 56 10.364 1.433 -5.600 411 HB3 TYR 56 HB1 TYR 56 11.702 2.494 -5.898 412 HD1 TYR 56 HD2 TYR 56 11.407 4.905 -6.322 413 HD2 TYR 56 HD1 TYR 56 8.156 2.401 -5.192 414 HE1 TYR 56 HE2 TYR 56 10.115 6.883 -5.710 415 HE2 TYR 56 HE1 TYR 56 6.845 4.376 -4.568 416 HH TYR 56 HH TYR 56 7.786 7.534 -5.415 417 H GLY 57 HN GLY 57 9.920 -0.281 -8.526 418 HA2 GLY 57 HA2 GLY 57 11.069 -2.064 -9.471 419 HA3 GLY 57 HA1 GLY 57 12.584 -1.229 -9.152 420 H VAL 58 HN VAL 58 10.046 -1.928 -6.858 421 HA VAL 58 HA VAL 58 11.934 -3.651 -5.428 422 HB VAL 58 HB VAL 58 10.765 -3.083 -3.304 423 HG11 VAL 58 HG11 VAL 58 12.782 -1.883 -3.906 424 HG12 VAL 58 HG12 VAL 58 11.661 -0.817 -3.059 425 HG13 VAL 58 HG13 VAL 58 11.833 -0.705 -4.810 426 HG21 VAL 58 HG21 VAL 58 8.582 -2.459 -4.212 427 HG22 VAL 58 HG22 VAL 58 9.294 -1.041 -4.983 428 HG23 VAL 58 HG23 VAL 58 9.239 -1.152 -3.224 429 H SER 59 HN SER 59 10.529 -5.136 -3.753 430 HA SER 59 HA SER 59 8.190 -6.048 -5.149 431 HB2 SER 59 HB2 SER 59 9.098 -8.431 -5.033 432 HB3 SER 59 HB1 SER 59 9.765 -7.370 -6.273 433 HG SER 59 HG SER 59 11.394 -8.471 -5.245 434 H ILE 60 HN ILE 60 6.671 -6.571 -3.884 435 HA ILE 60 HA ILE 60 7.161 -7.051 -1.024 436 HB ILE 60 HB ILE 60 4.591 -6.482 -2.531 437 HG12 ILE 60 HG12 ILE 60 6.110 -4.706 -0.627 438 HG13 ILE 60 HG11 ILE 60 6.157 -4.559 -2.384 439 HG21 ILE 60 HG21 ILE 60 3.542 -6.224 -0.321 440 HG22 ILE 60 HG22 ILE 60 5.049 -6.729 0.446 441 HG23 ILE 60 HG23 ILE 60 4.157 -7.859 -0.572 442 HD11 ILE 60 HD11 ILE 60 3.757 -4.222 -0.611 443 HD12 ILE 60 HD12 ILE 60 3.748 -4.126 -2.376 444 HD13 ILE 60 HD13 ILE 60 4.660 -2.947 -1.430 445 HA PRO 61 HA PRO 61 6.541 -11.443 -1.952 446 HB2 PRO 61 HB2 PRO 61 5.863 -11.326 0.965 447 HB3 PRO 61 HB1 PRO 61 6.905 -12.475 0.105 448 HG2 PRO 61 HG2 PRO 61 7.986 -10.555 1.571 449 HG3 PRO 61 HG1 PRO 61 8.682 -10.965 -0.009 450 HD2 PRO 61 HD2 PRO 61 6.978 -8.638 0.768 451 HD3 PRO 61 HD1 PRO 61 8.344 -8.707 -0.368 452 H ASP 62 HN ASP 62 4.704 -12.289 -2.659 453 HA ASP 62 HA ASP 62 2.265 -10.974 -2.571 454 HB2 ASP 62 HB2 ASP 62 1.258 -12.981 -3.609 455 HB3 ASP 62 HB1 ASP 62 2.760 -12.515 -4.383 456 H ASP 63 HN ASP 63 3.498 -13.381 -0.400 457 HA ASP 63 HA ASP 63 0.987 -13.862 0.891 458 HB2 ASP 63 HB2 ASP 63 3.805 -14.359 1.862 459 HB3 ASP 63 HB1 ASP 63 2.364 -14.825 2.748 460 H VAL 64 HN VAL 64 3.388 -11.402 1.126 461 HA VAL 64 HA VAL 64 2.631 -10.703 3.785 462 HB VAL 64 HB VAL 64 4.455 -9.196 1.866 463 HG11 VAL 64 HG11 VAL 64 3.465 -7.658 3.507 464 HG12 VAL 64 HG12 VAL 64 5.185 -7.903 3.813 465 HG13 VAL 64 HG13 VAL 64 3.984 -8.722 4.814 466 HG21 VAL 64 HG21 VAL 64 5.318 -11.360 2.585 467 HG22 VAL 64 HG22 VAL 64 5.069 -10.905 4.270 468 HG23 VAL 64 HG23 VAL 64 6.247 -10.035 3.284 469 H ALA 65 HN ALA 65 1.570 -9.832 0.616 470 HA ALA 65 HA ALA 65 0.181 -7.479 1.370 471 HB1 ALA 65 HB1 ALA 65 -0.527 -9.396 -0.886 472 HB2 ALA 65 HB2 ALA 65 0.549 -8.011 -1.028 473 HB3 ALA 65 HB3 ALA 65 -1.150 -7.769 -0.711 474 H GLY 66 HN GLY 66 -0.375 -10.769 2.068 475 HA2 GLY 66 HA2 GLY 66 -3.116 -10.243 2.946 476 HA3 GLY 66 HA1 GLY 66 -2.335 -11.820 2.874 477 H ARG 67 HN ARG 67 -0.049 -9.978 4.073 478 HA ARG 67 HA ARG 67 -0.692 -10.673 6.841 479 HB2 ARG 67 HB2 ARG 67 1.934 -10.167 5.443 480 HB3 ARG 67 HB1 ARG 67 1.791 -10.266 7.194 481 HG2 ARG 67 HG2 ARG 67 1.009 -12.537 7.036 482 HG3 ARG 67 HG1 ARG 67 0.985 -12.433 5.274 483 HD2 ARG 67 HD2 ARG 67 2.976 -13.600 6.185 484 HD3 ARG 67 HD1 ARG 67 3.360 -12.197 5.191 485 HE ARG 67 HE ARG 67 3.188 -11.653 8.009 486 HH11 ARG 67 HH11 ARG 67 5.376 -12.794 5.445 487 HH12 ARG 67 HH12 ARG 67 6.778 -12.154 6.149 488 HH21 ARG 67 HH21 ARG 67 5.113 -10.793 8.978 489 HH22 ARG 67 HH22 ARG 67 6.648 -11.035 8.252 490 H VAL 68 HN VAL 68 -0.381 -8.010 4.783 491 HA VAL 68 HA VAL 68 0.161 -6.164 6.911 492 HB VAL 68 HB VAL 68 -0.232 -4.385 5.151 493 HG11 VAL 68 HG11 VAL 68 1.764 -6.548 4.501 494 HG12 VAL 68 HG12 VAL 68 1.991 -5.224 5.645 495 HG13 VAL 68 HG13 VAL 68 1.830 -4.885 3.922 496 HG21 VAL 68 HG21 VAL 68 -0.336 -5.094 2.798 497 HG22 VAL 68 HG22 VAL 68 -1.759 -5.638 3.684 498 HG23 VAL 68 HG23 VAL 68 -0.464 -6.778 3.309 499 H ASP 69 HN ASP 69 -1.246 -5.433 8.248 500 HA ASP 69 HA ASP 69 -4.073 -6.020 7.868 501 HB2 ASP 69 HB2 ASP 69 -2.902 -6.477 10.021 502 HB3 ASP 69 HB1 ASP 69 -2.665 -4.748 10.225 503 H THR 70 HN THR 70 -1.969 -3.233 8.128 504 HA THR 70 HA THR 70 -4.196 -1.488 7.362 505 HB THR 70 HB THR 70 -3.102 0.263 8.806 506 HG1 THR 70 HG1 THR 70 -1.874 -1.871 10.212 507 HG21 THR 70 HG21 THR 70 -4.166 -2.181 10.244 508 HG22 THR 70 HG22 THR 70 -5.140 -0.883 9.554 509 HG23 THR 70 HG23 THR 70 -4.076 -0.555 10.921 510 HA PRO 71 HA PRO 71 -1.368 0.193 4.297 511 HB2 PRO 71 HB2 PRO 71 -2.205 2.843 5.397 512 HB3 PRO 71 HB1 PRO 71 -2.157 2.293 3.714 513 HG2 PRO 71 HG2 PRO 71 -4.469 2.443 4.953 514 HG3 PRO 71 HG1 PRO 71 -4.107 1.031 3.940 515 HD2 PRO 71 HD2 PRO 71 -4.052 1.285 6.923 516 HD3 PRO 71 HD1 PRO 71 -4.647 -0.051 5.914 517 H ARG 72 HN ARG 72 -1.418 1.630 7.534 518 HA ARG 72 HA ARG 72 1.095 2.729 7.747 519 HB2 ARG 72 HB2 ARG 72 -0.445 2.910 9.572 520 HB3 ARG 72 HB1 ARG 72 -0.569 1.171 9.734 521 HG2 ARG 72 HG2 ARG 72 0.704 2.109 11.567 522 HG3 ARG 72 HG1 ARG 72 1.735 1.092 10.566 523 HD2 ARG 72 HD2 ARG 72 2.976 3.040 11.134 524 HD3 ARG 72 HD1 ARG 72 2.540 3.165 9.434 525 HE ARG 72 HE ARG 72 0.627 4.482 11.041 526 HH11 ARG 72 HH11 ARG 72 3.926 4.853 9.710 527 HH12 ARG 72 HH12 ARG 72 3.986 6.530 9.956 528 HH21 ARG 72 HH21 ARG 72 0.745 6.822 11.410 529 HH22 ARG 72 HH22 ARG 72 2.124 7.683 10.955 530 H GLU 73 HN GLU 73 0.194 -0.658 8.198 531 HA GLU 73 HA GLU 73 2.795 -1.637 8.749 532 HB2 GLU 73 HB2 GLU 73 0.581 -2.748 9.273 533 HB3 GLU 73 HB1 GLU 73 0.476 -3.170 7.572 534 HG2 GLU 73 HG2 GLU 73 1.278 -5.057 8.781 535 HG3 GLU 73 HG1 GLU 73 2.604 -4.417 7.809 536 H LEU 74 HN LEU 74 0.830 -1.497 5.814 537 HA LEU 74 HA LEU 74 2.601 -2.936 4.126 538 HB2 LEU 74 HB2 LEU 74 0.130 -2.675 3.804 539 HB3 LEU 74 HB1 LEU 74 0.374 -1.000 3.411 540 HG LEU 74 HG LEU 74 -0.137 -2.643 1.514 541 HD11 LEU 74 HD11 LEU 74 1.369 -1.521 -0.077 542 HD12 LEU 74 HD12 LEU 74 2.335 -0.912 1.268 543 HD13 LEU 74 HD13 LEU 74 0.666 -0.374 1.066 544 HD21 LEU 74 HD21 LEU 74 2.764 -3.353 1.937 545 HD22 LEU 74 HD22 LEU 74 1.784 -3.828 0.547 546 HD23 LEU 74 HD23 LEU 74 1.377 -4.419 2.157 547 H LEU 75 HN LEU 75 2.247 0.490 4.802 548 HA LEU 75 HA LEU 75 3.928 1.641 2.922 549 HB2 LEU 75 HB2 LEU 75 2.554 2.930 4.446 550 HB3 LEU 75 HB1 LEU 75 3.478 2.354 5.816 551 HG LEU 75 HG LEU 75 5.454 3.579 4.958 552 HD11 LEU 75 HD11 LEU 75 3.512 4.664 2.944 553 HD12 LEU 75 HD12 LEU 75 4.896 3.622 2.608 554 HD13 LEU 75 HD13 LEU 75 5.150 5.257 3.217 555 HD21 LEU 75 HD21 LEU 75 4.645 5.812 5.546 556 HD22 LEU 75 HD22 LEU 75 4.021 4.581 6.645 557 HD23 LEU 75 HD23 LEU 75 2.981 5.248 5.387 558 H ASP 76 HN ASP 76 4.711 0.456 6.153 559 HA ASP 76 HA ASP 76 7.458 1.119 6.034 560 HB2 ASP 76 HB2 ASP 76 6.143 0.821 8.129 561 HB3 ASP 76 HB1 ASP 76 6.140 -0.913 7.826 562 H LEU 77 HN LEU 77 5.633 -1.664 5.132 563 HA LEU 77 HA LEU 77 7.742 -3.517 4.893 564 HB2 LEU 77 HB2 LEU 77 5.226 -3.972 4.880 565 HB3 LEU 77 HB1 LEU 77 5.215 -3.416 3.226 566 HG LEU 77 HG LEU 77 5.147 -5.888 3.454 567 HD11 LEU 77 HD11 LEU 77 6.010 -4.978 1.394 568 HD12 LEU 77 HD12 LEU 77 6.860 -6.460 1.830 569 HD13 LEU 77 HD13 LEU 77 7.629 -4.893 2.087 570 HD21 LEU 77 HD21 LEU 77 7.149 -7.094 4.151 571 HD22 LEU 77 HD22 LEU 77 6.481 -6.112 5.456 572 HD23 LEU 77 HD23 LEU 77 7.913 -5.565 4.586 573 H ILE 78 HN ILE 78 6.281 -1.207 2.598 574 HA ILE 78 HA ILE 78 8.005 -1.957 0.460 575 HB ILE 78 HB ILE 78 6.457 0.648 0.768 576 HG12 ILE 78 HG12 ILE 78 5.779 -1.966 -0.567 577 HG13 ILE 78 HG11 ILE 78 4.965 -1.246 0.810 578 HG21 ILE 78 HG21 ILE 78 6.716 0.852 -1.676 579 HG22 ILE 78 HG22 ILE 78 7.682 -0.622 -1.701 580 HG23 ILE 78 HG23 ILE 78 8.289 0.814 -0.878 581 HD11 ILE 78 HD11 ILE 78 3.629 -0.988 -1.170 582 HD12 ILE 78 HD12 ILE 78 4.965 -0.229 -2.023 583 HD13 ILE 78 HD13 ILE 78 4.206 0.601 -0.659 584 H ASN 79 HN ASN 79 8.103 0.444 2.971 585 HA ASN 79 HA ASN 79 10.373 1.821 2.063 586 HB2 ASN 79 HB2 ASN 79 9.284 1.447 4.839 587 HB3 ASN 79 HB1 ASN 79 10.680 2.456 4.520 588 HD21 ASN 79 HD21 ASN 79 8.285 3.345 5.633 589 HD22 ASN 79 HD22 ASN 79 7.544 4.468 4.540 590 H GLY 80 HN GLY 80 10.072 -1.107 3.926 591 HA2 GLY 80 HA2 GLY 80 12.839 -1.419 4.516 592 HA3 GLY 80 HA1 GLY 80 11.638 -2.706 4.497 593 H ALA 81 HN ALA 81 10.828 -2.276 1.802 594 HA ALA 81 HA ALA 81 12.820 -3.793 0.428 595 HB1 ALA 81 HB1 ALA 81 10.297 -2.474 -0.632 596 HB2 ALA 81 HB2 ALA 81 10.411 -4.115 -0.021 597 HB3 ALA 81 HB3 ALA 81 11.265 -3.665 -1.494 598 H LEU 82 HN LEU 82 11.714 -0.474 0.428 599 HA LEU 82 HA LEU 82 13.212 0.528 -1.721 600 HB2 LEU 82 HB2 LEU 82 12.152 1.927 0.723 601 HB3 LEU 82 HB1 LEU 82 12.904 2.756 -0.618 602 HG LEU 82 HG LEU 82 10.350 1.159 -0.743 603 HD11 LEU 82 HD11 LEU 82 10.115 3.244 0.477 604 HD12 LEU 82 HD12 LEU 82 9.305 3.342 -1.089 605 HD13 LEU 82 HD13 LEU 82 10.869 4.122 -0.853 606 HD21 LEU 82 HD21 LEU 82 11.748 2.816 -2.839 607 HD22 LEU 82 HD22 LEU 82 10.154 2.081 -3.003 608 HD23 LEU 82 HD23 LEU 82 11.582 1.058 -2.841 609 H ALA 83 HN ALA 83 14.173 -0.320 1.452 610 HA ALA 83 HA ALA 83 16.456 1.302 1.701 611 HB1 ALA 83 HB1 ALA 83 16.028 -1.491 2.773 612 HB2 ALA 83 HB2 ALA 83 15.543 0.005 3.573 613 HB3 ALA 83 HB3 ALA 83 17.253 -0.347 3.324 614 H GLU 84 HN GLU 84 15.833 -1.634 -0.078 615 HA GLU 84 HA GLU 84 18.611 -2.006 -0.819 616 HB2 GLU 84 HB2 GLU 84 16.090 -3.490 -1.558 617 HB3 GLU 84 HB1 GLU 84 17.685 -3.911 -2.161 618 HG2 GLU 84 HG2 GLU 84 16.899 -3.858 0.741 619 HG3 GLU 84 HG1 GLU 84 16.967 -5.304 -0.270 620 H ALA 85 HN ALA 85 16.163 -0.077 -1.785 621 HA ALA 85 HA ALA 85 17.025 0.014 -4.582 622 HB1 ALA 85 HB1 ALA 85 14.498 1.043 -3.270 623 HB2 ALA 85 HB2 ALA 85 14.621 -0.391 -4.289 624 HB3 ALA 85 HB3 ALA 85 14.900 1.208 -4.979 625 H ALA 86 HN ALA 86 16.318 2.574 -5.169 626 HA ALA 86 HA ALA 86 17.447 4.336 -3.177 627 HB1 ALA 86 HB1 ALA 86 18.792 3.967 -5.859 628 HB2 ALA 86 HB2 ALA 86 19.456 3.481 -4.299 629 HB3 ALA 86 HB3 ALA 86 19.208 5.189 -4.658 630 H281 PSR 87 H28A PSR 87 -8.172 -11.201 -5.890 631 H282 PSR 87 H28B PSR 87 -7.410 -9.979 -4.871 632 H301 PSR 87 H30A PSR 87 -5.002 -10.217 -7.490 633 H302 PSR 87 H30B PSR 87 -5.852 -9.177 -6.353 634 H303 PSR 87 H30C PSR 87 -6.767 -10.082 -7.569 635 H311 PSR 87 H31A PSR 87 -4.887 -10.125 -4.471 636 H312 PSR 87 H31B PSR 87 -3.933 -11.248 -5.429 637 H313 PSR 87 H31C PSR 87 -4.993 -11.855 -4.158 638 H321 PSR 87 H32A PSR 87 -5.048 -12.705 -7.239 639 H331 PSR 87 H33A PSR 87 -7.590 -13.330 -7.391 640 H361 PSR 87 H36A PSR 87 -4.511 -13.625 -4.902 641 H371 PSR 87 H37A PSR 87 -6.386 -15.511 -3.719 642 H372 PSR 87 H37B PSR 87 -5.125 -16.237 -4.689 643 H381 PSR 87 H38A PSR 87 -4.355 -16.314 -2.495 644 H382 PSR 87 H38B PSR 87 -3.421 -15.015 -3.286 645 H411 PSR 87 H41A PSR 87 -2.999 -13.703 -1.795 646 H421 PSR 87 H42A PSR 87 -4.995 -12.737 0.158 647 H422 PSR 87 H42B PSR 87 -3.256 -12.812 0.401 648 H431 PSR 87 H43A PSR 87 -3.705 -10.534 -0.104 649 H432 PSR 87 H43B PSR 87 -4.712 -11.030 -1.465 650 HC21 PSR 87 H2A PSR 87 -1.806 -8.378 -4.058 651 HC22 PSR 87 H2B PSR 87 -2.250 -9.978 -4.627 652 HC31 PSR 87 H3A PSR 87 -0.317 -10.958 -3.512 653 HC32 PSR 87 H3B PSR 87 0.144 -9.358 -2.900 654 HC41 PSR 87 H4C PSR 87 1.411 -9.950 -4.903 655 HC42 PSR 87 H4A PSR 87 0.361 -8.564 -5.198 656 HC43 PSR 87 H4B PSR 87 -0.098 -10.157 -5.798 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 18.561 8.662 7.965 2 H2 MET 1 HT2 MET 1 18.321 9.023 6.335 3 H3 MET 1 HT3 MET 1 18.860 7.488 6.790 4 HA MET 1 HA MET 1 16.835 6.974 7.830 5 HB2 MET 1 HB2 MET 1 16.066 9.803 7.101 6 HB3 MET 1 HB1 MET 1 14.886 8.578 7.537 7 HG2 MET 1 HG2 MET 1 15.353 9.971 9.434 8 HG3 MET 1 HG1 MET 1 15.964 8.347 9.732 9 HE1 MET 1 HE1 MET 1 17.525 11.278 7.565 10 HE2 MET 1 HE2 MET 1 18.603 12.014 8.752 11 HE3 MET 1 HE3 MET 1 16.857 12.089 8.983 12 H ALA 2 HN ALA 2 18.188 7.614 4.945 13 HA ALA 2 HA ALA 2 17.925 6.892 2.890 14 HB1 ALA 2 HB1 ALA 2 15.713 5.150 4.000 15 HB2 ALA 2 HB2 ALA 2 17.427 4.737 3.987 16 HB3 ALA 2 HB3 ALA 2 16.553 4.916 2.466 17 H THR 3 HN THR 3 15.915 6.360 1.184 18 HA THR 3 HA THR 3 14.230 8.727 1.448 19 HB THR 3 HB THR 3 15.735 8.885 -0.492 20 HG1 THR 3 HG1 THR 3 14.303 9.346 -2.032 21 HG21 THR 3 HG21 THR 3 16.182 6.527 -0.939 22 HG22 THR 3 HG22 THR 3 15.618 7.332 -2.404 23 HG23 THR 3 HG23 THR 3 14.522 6.299 -1.486 24 H LEU 4 HN LEU 4 12.342 8.123 2.213 25 HA LEU 4 HA LEU 4 11.323 5.505 1.398 26 HB2 LEU 4 HB2 LEU 4 10.936 6.865 4.065 27 HB3 LEU 4 HB1 LEU 4 10.251 5.327 3.590 28 HG LEU 4 HG LEU 4 13.169 5.937 4.056 29 HD11 LEU 4 HD11 LEU 4 11.876 5.721 6.086 30 HD12 LEU 4 HD12 LEU 4 12.955 4.339 5.884 31 HD13 LEU 4 HD13 LEU 4 11.230 4.175 5.533 32 HD21 LEU 4 HD21 LEU 4 13.574 3.552 3.651 33 HD22 LEU 4 HD22 LEU 4 12.946 4.357 2.214 34 HD23 LEU 4 HD23 LEU 4 11.884 3.344 3.190 35 H LEU 5 HN LEU 5 8.929 5.400 1.851 36 HA LEU 5 HA LEU 5 7.679 7.603 0.467 37 HB2 LEU 5 HB2 LEU 5 6.728 4.913 1.381 38 HB3 LEU 5 HB1 LEU 5 5.710 6.077 0.557 39 HG LEU 5 HG LEU 5 8.196 4.851 -0.634 40 HD11 LEU 5 HD11 LEU 5 6.448 3.171 -0.250 41 HD12 LEU 5 HD12 LEU 5 6.640 3.524 -1.970 42 HD13 LEU 5 HD13 LEU 5 5.281 4.205 -1.073 43 HD21 LEU 5 HD21 LEU 5 5.957 6.480 -1.771 44 HD22 LEU 5 HD22 LEU 5 7.286 5.773 -2.698 45 HD23 LEU 5 HD23 LEU 5 7.607 7.039 -1.502 46 H THR 6 HN THR 6 6.137 8.850 1.360 47 HA THR 6 HA THR 6 5.838 8.611 4.250 48 HB THR 6 HB THR 6 5.034 10.975 4.142 49 HG1 THR 6 HG1 THR 6 5.709 10.687 1.356 50 HG21 THR 6 HG21 THR 6 7.406 10.512 4.568 51 HG22 THR 6 HG22 THR 6 7.214 11.990 3.623 52 HG23 THR 6 HG23 THR 6 7.719 10.497 2.833 53 H THR 7 HN THR 7 3.546 9.409 4.978 54 HA THR 7 HA THR 7 1.568 7.744 3.977 55 HB THR 7 HB THR 7 1.146 10.373 5.437 56 HG1 THR 7 HG1 THR 7 2.041 9.413 7.079 57 HG21 THR 7 HG21 THR 7 -0.869 9.253 6.316 58 HG22 THR 7 HG22 THR 7 -0.491 7.820 5.362 59 HG23 THR 7 HG23 THR 7 -0.916 9.329 4.555 60 H ASP 8 HN ASP 8 2.457 11.030 3.147 61 HA ASP 8 HA ASP 8 0.380 11.733 1.396 62 HB2 ASP 8 HB2 ASP 8 3.318 12.481 1.252 63 HB3 ASP 8 HB1 ASP 8 2.083 13.188 0.225 64 H ASP 9 HN ASP 9 3.380 10.035 0.781 65 HA ASP 9 HA ASP 9 2.998 9.625 -2.026 66 HB2 ASP 9 HB2 ASP 9 4.666 8.047 -0.059 67 HB3 ASP 9 HB1 ASP 9 4.695 7.816 -1.797 68 H LEU 10 HN LEU 10 2.276 7.820 0.836 69 HA LEU 10 HA LEU 10 1.507 5.407 -0.355 70 HB2 LEU 10 HB2 LEU 10 2.106 5.578 1.955 71 HB3 LEU 10 HB1 LEU 10 0.784 6.670 2.267 72 HG LEU 10 HG LEU 10 -0.792 4.785 1.770 73 HD11 LEU 10 HD11 LEU 10 0.687 3.432 0.375 74 HD12 LEU 10 HD12 LEU 10 0.063 2.506 1.739 75 HD13 LEU 10 HD13 LEU 10 1.717 3.109 1.772 76 HD21 LEU 10 HD21 LEU 10 -0.419 3.628 3.892 77 HD22 LEU 10 HD22 LEU 10 -0.209 5.373 4.051 78 HD23 LEU 10 HD23 LEU 10 1.203 4.317 3.982 79 H ARG 11 HN ARG 11 -0.319 8.338 0.402 80 HA ARG 11 HA ARG 11 -2.910 7.402 0.131 81 HB2 ARG 11 HB2 ARG 11 -1.855 10.114 -0.621 82 HB3 ARG 11 HB1 ARG 11 -3.558 9.692 -0.663 83 HG2 ARG 11 HG2 ARG 11 -3.445 9.162 1.722 84 HG3 ARG 11 HG1 ARG 11 -1.778 9.741 1.774 85 HD2 ARG 11 HD2 ARG 11 -4.285 11.293 1.138 86 HD3 ARG 11 HD1 ARG 11 -3.196 11.516 2.508 87 HE ARG 11 HE ARG 11 -2.654 12.187 -0.284 88 HH11 ARG 11 HH11 ARG 11 -1.996 12.605 3.169 89 HH12 ARG 11 HH12 ARG 11 -0.806 13.795 2.952 90 HH21 ARG 11 HH21 ARG 11 -0.985 13.850 -0.599 91 HH22 ARG 11 HH22 ARG 11 -0.229 14.488 0.801 92 H ARG 12 HN ARG 12 -0.890 8.575 -2.514 93 HA ARG 12 HA ARG 12 -2.905 8.294 -4.413 94 HB2 ARG 12 HB2 ARG 12 -1.153 8.284 -6.152 95 HB3 ARG 12 HB1 ARG 12 -1.039 9.601 -4.998 96 HG2 ARG 12 HG2 ARG 12 0.787 8.440 -3.862 97 HG3 ARG 12 HG1 ARG 12 0.670 7.125 -5.033 98 HD2 ARG 12 HD2 ARG 12 2.460 8.827 -5.507 99 HD3 ARG 12 HD1 ARG 12 1.313 8.552 -6.825 100 HE ARG 12 HE ARG 12 0.220 10.588 -6.239 101 HH11 ARG 12 HH11 ARG 12 3.498 10.186 -4.926 102 HH12 ARG 12 HH12 ARG 12 3.694 11.830 -4.586 103 HH21 ARG 12 HH21 ARG 12 0.433 12.823 -5.628 104 HH22 ARG 12 HH22 ARG 12 1.862 13.374 -4.901 105 H ALA 13 HN ALA 13 -0.795 5.854 -3.137 106 HA ALA 13 HA ALA 13 -1.324 3.991 -5.227 107 HB1 ALA 13 HB1 ALA 13 0.629 3.782 -3.747 108 HB2 ALA 13 HB2 ALA 13 -0.364 2.325 -3.723 109 HB3 ALA 13 HB3 ALA 13 -0.447 3.472 -2.385 110 H LEU 14 HN LEU 14 -2.749 4.552 -2.051 111 HA LEU 14 HA LEU 14 -4.754 2.535 -2.240 112 HB2 LEU 14 HB2 LEU 14 -4.588 5.065 -0.586 113 HB3 LEU 14 HB1 LEU 14 -5.980 4.017 -0.526 114 HG LEU 14 HG LEU 14 -4.576 3.672 1.402 115 HD11 LEU 14 HD11 LEU 14 -4.205 1.268 1.304 116 HD12 LEU 14 HD12 LEU 14 -4.430 1.311 -0.439 117 HD13 LEU 14 HD13 LEU 14 -5.761 1.743 0.632 118 HD21 LEU 14 HD21 LEU 14 -2.431 4.347 0.520 119 HD22 LEU 14 HD22 LEU 14 -2.381 2.914 -0.507 120 HD23 LEU 14 HD23 LEU 14 -2.321 2.746 1.247 121 H VAL 15 HN VAL 15 -4.766 5.986 -2.804 122 HA VAL 15 HA VAL 15 -7.406 6.305 -3.554 123 HB VAL 15 HB VAL 15 -4.899 7.917 -4.081 124 HG11 VAL 15 HG11 VAL 15 -7.712 8.727 -4.817 125 HG12 VAL 15 HG12 VAL 15 -6.417 8.384 -5.965 126 HG13 VAL 15 HG13 VAL 15 -6.287 9.762 -4.870 127 HG21 VAL 15 HG21 VAL 15 -5.976 9.454 -2.498 128 HG22 VAL 15 HG22 VAL 15 -5.712 7.847 -1.822 129 HG23 VAL 15 HG23 VAL 15 -7.325 8.320 -2.358 130 H GLU 16 HN GLU 16 -4.604 5.924 -5.785 131 HA GLU 16 HA GLU 16 -6.072 5.910 -8.148 132 HB2 GLU 16 HB2 GLU 16 -3.482 4.582 -7.435 133 HB3 GLU 16 HB1 GLU 16 -4.071 4.600 -9.072 134 HG2 GLU 16 HG2 GLU 16 -3.330 6.973 -7.371 135 HG3 GLU 16 HG1 GLU 16 -2.416 6.319 -8.725 136 H SER 17 HN SER 17 -5.126 3.104 -6.134 137 HA SER 17 HA SER 17 -6.163 1.196 -7.981 138 HB2 SER 17 HB2 SER 17 -5.462 0.785 -5.073 139 HB3 SER 17 HB1 SER 17 -5.478 -0.463 -6.323 140 HG SER 17 HG SER 17 -3.621 1.447 -5.726 141 H ALA 18 HN ALA 18 -7.557 2.932 -5.308 142 HA ALA 18 HA ALA 18 -9.808 1.154 -5.013 143 HB1 ALA 18 HB1 ALA 18 -9.496 3.938 -3.947 144 HB2 ALA 18 HB2 ALA 18 -8.801 2.533 -3.182 145 HB3 ALA 18 HB3 ALA 18 -10.565 2.667 -3.341 146 H GLY 19 HN GLY 19 -8.984 3.523 -7.228 147 HA2 GLY 19 HA2 GLY 19 -10.270 4.499 -8.938 148 HA3 GLY 19 HA1 GLY 19 -11.713 3.758 -8.229 149 H GLU 20 HN GLU 20 -9.673 5.379 -6.165 150 HA GLU 20 HA GLU 20 -11.706 7.248 -5.495 151 HB2 GLU 20 HB2 GLU 20 -10.390 6.185 -3.754 152 HB3 GLU 20 HB1 GLU 20 -8.904 6.771 -4.475 153 HG2 GLU 20 HG2 GLU 20 -9.382 8.070 -2.543 154 HG3 GLU 20 HG1 GLU 20 -9.623 9.076 -3.966 155 H THR 21 HN THR 21 -11.928 8.986 -6.580 156 HA THR 21 HA THR 21 -9.523 10.482 -7.395 157 HB THR 21 HB THR 21 -12.238 10.753 -8.739 158 HG1 THR 21 HG1 THR 21 -10.776 8.628 -8.734 159 HG21 THR 21 HG21 THR 21 -10.878 11.661 -10.586 160 HG22 THR 21 HG22 THR 21 -9.410 11.372 -9.651 161 HG23 THR 21 HG23 THR 21 -10.584 12.568 -9.101 162 H ASP 22 HN ASP 22 -10.431 10.516 -4.936 163 HA ASP 22 HA ASP 22 -11.089 11.657 -3.158 164 HB2 ASP 22 HB2 ASP 22 -9.562 13.423 -4.064 165 HB3 ASP 22 HB1 ASP 22 -10.938 14.156 -4.876 166 H GLY 23 HN GLY 23 -12.968 10.485 -3.418 167 HA2 GLY 23 HA2 GLY 23 -15.302 12.276 -3.632 168 HA3 GLY 23 HA1 GLY 23 -15.341 10.591 -4.157 169 H THR 24 HN THR 24 -13.443 11.365 -1.487 170 HA THR 24 HA THR 24 -13.382 10.822 0.604 171 HB THR 24 HB THR 24 -15.347 11.275 2.082 172 HG1 THR 24 HG1 THR 24 -16.693 11.227 -0.328 173 HG21 THR 24 HG21 THR 24 -13.809 13.067 1.494 174 HG22 THR 24 HG22 THR 24 -15.454 13.689 1.617 175 HG23 THR 24 HG23 THR 24 -14.735 13.406 0.033 176 H ASP 25 HN ASP 25 -13.520 8.591 -1.011 177 HA ASP 25 HA ASP 25 -15.120 6.742 0.599 178 HB2 ASP 25 HB2 ASP 25 -15.025 6.412 -1.913 179 HB3 ASP 25 HB1 ASP 25 -13.302 6.074 -1.753 180 H LEU 26 HN LEU 26 -11.872 7.545 -0.307 181 HA LEU 26 HA LEU 26 -10.999 6.679 2.361 182 HB2 LEU 26 HB2 LEU 26 -9.181 6.602 -0.103 183 HB3 LEU 26 HB1 LEU 26 -8.755 6.158 1.524 184 HG LEU 26 HG LEU 26 -10.459 4.250 1.233 185 HD11 LEU 26 HD11 LEU 26 -11.538 5.086 -0.763 186 HD12 LEU 26 HD12 LEU 26 -10.774 3.526 -1.079 187 HD13 LEU 26 HD13 LEU 26 -10.007 5.018 -1.634 188 HD21 LEU 26 HD21 LEU 26 -7.907 4.297 -0.370 189 HD22 LEU 26 HD22 LEU 26 -8.769 2.852 0.158 190 HD23 LEU 26 HD23 LEU 26 -8.050 3.935 1.350 191 H SER 27 HN SER 27 -9.876 8.416 -0.485 192 HA SER 27 HA SER 27 -8.896 10.448 -0.839 193 HB2 SER 27 HB2 SER 27 -10.937 11.205 1.154 194 HB3 SER 27 HB1 SER 27 -10.208 12.326 0.001 195 HG SER 27 HG SER 27 -11.399 9.987 -1.025 196 H GLY 28 HN GLY 28 -7.570 8.943 1.239 197 HA2 GLY 28 HA2 GLY 28 -5.549 9.967 2.222 198 HA3 GLY 28 HA1 GLY 28 -6.638 11.201 2.852 199 H ASP 29 HN ASP 29 -8.717 9.355 3.659 200 HA ASP 29 HA ASP 29 -7.424 8.529 6.123 201 HB2 ASP 29 HB2 ASP 29 -9.448 9.787 6.461 202 HB3 ASP 29 HB1 ASP 29 -10.364 8.677 5.444 203 H PHE 30 HN PHE 30 -6.473 6.783 6.002 204 HA PHE 30 HA PHE 30 -7.927 4.310 5.766 205 HB2 PHE 30 HB2 PHE 30 -6.286 3.370 4.060 206 HB3 PHE 30 HB1 PHE 30 -7.470 4.471 3.395 207 HD1 PHE 30 HD1 PHE 30 -3.988 4.174 4.544 208 HD2 PHE 30 HD2 PHE 30 -6.761 6.416 2.289 209 HE1 PHE 30 HE1 PHE 30 -2.135 5.484 3.626 210 HE2 PHE 30 HE2 PHE 30 -4.910 7.751 1.346 211 HZ PHE 30 HZ PHE 30 -2.582 7.270 2.050 212 H LEU 31 HN LEU 31 -5.137 6.149 6.627 213 HA LEU 31 HA LEU 31 -3.094 4.349 6.882 214 HB2 LEU 31 HB2 LEU 31 -2.882 6.763 6.933 215 HB3 LEU 31 HB1 LEU 31 -3.625 6.815 8.519 216 HG LEU 31 HG LEU 31 -1.678 5.471 9.367 217 HD11 LEU 31 HD11 LEU 31 -0.545 6.122 6.654 218 HD12 LEU 31 HD12 LEU 31 -0.955 4.518 7.259 219 HD13 LEU 31 HD13 LEU 31 0.351 5.433 8.008 220 HD21 LEU 31 HD21 LEU 31 -1.069 8.158 8.133 221 HD22 LEU 31 HD22 LEU 31 -0.155 7.390 9.430 222 HD23 LEU 31 HD23 LEU 31 -1.826 7.880 9.701 223 H ASP 32 HN ASP 32 -5.590 5.037 9.267 224 HA ASP 32 HA ASP 32 -4.171 3.475 11.303 225 HB2 ASP 32 HB2 ASP 32 -5.086 5.605 12.008 226 HB3 ASP 32 HB1 ASP 32 -6.681 5.160 11.423 227 H LEU 33 HN LEU 33 -6.786 3.223 9.140 228 HA LEU 33 HA LEU 33 -8.112 1.066 10.563 229 HB2 LEU 33 HB2 LEU 33 -8.684 2.349 7.897 230 HB3 LEU 33 HB1 LEU 33 -9.708 1.185 8.715 231 HG LEU 33 HG LEU 33 -9.052 3.928 9.788 232 HD11 LEU 33 HD11 LEU 33 -11.335 4.502 9.158 233 HD12 LEU 33 HD12 LEU 33 -11.525 2.917 8.406 234 HD13 LEU 33 HD13 LEU 33 -10.366 4.072 7.749 235 HD21 LEU 33 HD21 LEU 33 -11.063 1.854 10.661 236 HD22 LEU 33 HD22 LEU 33 -10.883 3.472 11.339 237 HD23 LEU 33 HD23 LEU 33 -9.586 2.291 11.518 238 H ARG 34 HN ARG 34 -8.410 -1.014 9.579 239 HA ARG 34 HA ARG 34 -6.246 -1.862 7.898 240 HB2 ARG 34 HB2 ARG 34 -8.538 -3.249 9.170 241 HB3 ARG 34 HB1 ARG 34 -7.865 -3.977 7.722 242 HG2 ARG 34 HG2 ARG 34 -5.605 -3.758 8.952 243 HG3 ARG 34 HG1 ARG 34 -6.615 -3.583 10.402 244 HD2 ARG 34 HD2 ARG 34 -7.661 -5.686 10.030 245 HD3 ARG 34 HD1 ARG 34 -6.980 -5.758 8.400 246 HE ARG 34 HE ARG 34 -5.190 -5.859 10.710 247 HH11 ARG 34 HH11 ARG 34 -6.728 -7.473 7.941 248 HH12 ARG 34 HH12 ARG 34 -5.555 -8.701 7.825 249 HH21 ARG 34 HH21 ARG 34 -3.549 -7.573 10.516 250 HH22 ARG 34 HH22 ARG 34 -3.747 -8.768 9.309 251 H PHE 35 HN PHE 35 -6.524 -2.889 5.877 252 HA PHE 35 HA PHE 35 -7.761 -1.387 3.921 253 HB2 PHE 35 HB2 PHE 35 -7.024 -4.313 3.854 254 HB3 PHE 35 HB1 PHE 35 -7.310 -3.300 2.428 255 HD1 PHE 35 HD2 PHE 35 -5.765 -1.314 2.093 256 HD2 PHE 35 HD1 PHE 35 -4.987 -4.440 4.865 257 HE1 PHE 35 HE2 PHE 35 -3.394 -0.666 2.159 258 HE2 PHE 35 HE1 PHE 35 -2.657 -3.805 4.955 259 HZ PHE 35 HZ PHE 35 -1.829 -1.915 3.592 260 H GLU 36 HN GLU 36 -8.834 -4.377 5.374 261 HA GLU 36 HA GLU 36 -11.234 -4.790 4.106 262 HB2 GLU 36 HB2 GLU 36 -10.717 -5.310 7.037 263 HB3 GLU 36 HB1 GLU 36 -11.972 -6.050 6.061 264 HG2 GLU 36 HG2 GLU 36 -10.365 -7.698 6.177 265 HG3 GLU 36 HG1 GLU 36 -10.025 -6.940 4.626 266 H ASP 37 HN ASP 37 -10.555 -2.329 6.470 267 HA ASP 37 HA ASP 37 -13.362 -1.809 7.077 268 HB2 ASP 37 HB2 ASP 37 -11.434 -1.538 8.743 269 HB3 ASP 37 HB1 ASP 37 -10.965 -0.117 7.826 270 H ILE 38 HN ILE 38 -10.840 -0.714 4.984 271 HA ILE 38 HA ILE 38 -12.354 1.671 4.240 272 HB ILE 38 HB ILE 38 -10.367 2.380 2.943 273 HG12 ILE 38 HG12 ILE 38 -9.051 -0.099 4.093 274 HG13 ILE 38 HG11 ILE 38 -9.488 0.087 2.409 275 HG21 ILE 38 HG21 ILE 38 -10.596 3.109 5.239 276 HG22 ILE 38 HG22 ILE 38 -8.895 2.840 4.856 277 HG23 ILE 38 HG23 ILE 38 -9.787 1.649 5.809 278 HD11 ILE 38 HD11 ILE 38 -7.439 1.680 3.927 279 HD12 ILE 38 HD12 ILE 38 -7.880 1.941 2.237 280 HD13 ILE 38 HD13 ILE 38 -7.127 0.423 2.731 281 H GLY 39 HN GLY 39 -13.049 -1.098 3.503 282 HA2 GLY 39 HA2 GLY 39 -14.077 -2.129 1.734 283 HA3 GLY 39 HA1 GLY 39 -14.034 -0.573 0.925 284 H TYR 40 HN TYR 40 -11.220 -2.430 1.951 285 HA TYR 40 HA TYR 40 -10.408 -2.466 -0.838 286 HB2 TYR 40 HB2 TYR 40 -9.029 -2.068 1.636 287 HB3 TYR 40 HB1 TYR 40 -8.288 -3.396 0.749 288 HD1 TYR 40 HD2 TYR 40 -9.994 -0.552 -0.751 289 HD2 TYR 40 HD1 TYR 40 -6.289 -2.382 0.154 290 HE1 TYR 40 HE2 TYR 40 -8.860 1.063 -2.171 291 HE2 TYR 40 HE1 TYR 40 -5.137 -0.781 -1.265 292 HH TYR 40 HH TYR 40 -6.833 1.961 -2.609 293 H ASP 41 HN ASP 41 -10.896 -4.195 -1.924 294 HA ASP 41 HA ASP 41 -10.681 -6.756 -0.598 295 HB2 ASP 41 HB2 ASP 41 -11.721 -6.017 -3.329 296 HB3 ASP 41 HB1 ASP 41 -11.400 -7.686 -2.870 297 H SER 42 HN SER 42 -9.726 -8.466 -2.163 298 HA SER 42 HA SER 42 -7.048 -8.360 -1.865 299 HB2 SER 42 HB2 SER 42 -7.013 -10.296 -3.470 300 HB3 SER 42 HB1 SER 42 -8.188 -10.425 -2.158 301 H LEU 43 HN LEU 43 -8.668 -7.735 -5.001 302 HA LEU 43 HA LEU 43 -6.254 -7.380 -6.419 303 HB2 LEU 43 HB2 LEU 43 -8.464 -8.001 -7.421 304 HB3 LEU 43 HB1 LEU 43 -9.013 -6.368 -7.152 305 HG LEU 43 HG LEU 43 -8.397 -6.918 -9.518 306 HD11 LEU 43 HD11 LEU 43 -7.164 -4.871 -10.001 307 HD12 LEU 43 HD12 LEU 43 -6.797 -4.689 -8.283 308 HD13 LEU 43 HD13 LEU 43 -8.465 -4.600 -8.841 309 HD21 LEU 43 HD21 LEU 43 -6.027 -7.016 -10.126 310 HD22 LEU 43 HD22 LEU 43 -6.501 -8.365 -9.094 311 HD23 LEU 43 HD23 LEU 43 -5.594 -7.012 -8.415 312 H ALA 44 HN ALA 44 -8.551 -4.990 -5.135 313 HA ALA 44 HA ALA 44 -7.122 -2.724 -5.967 314 HB1 ALA 44 HB1 ALA 44 -8.916 -2.993 -3.557 315 HB2 ALA 44 HB2 ALA 44 -9.449 -2.640 -5.201 316 HB3 ALA 44 HB3 ALA 44 -8.436 -1.485 -4.334 317 H LEU 45 HN LEU 45 -6.845 -4.714 -3.099 318 HA LEU 45 HA LEU 45 -5.156 -3.069 -1.554 319 HB2 LEU 45 HB2 LEU 45 -6.410 -5.376 -1.091 320 HB3 LEU 45 HB1 LEU 45 -4.858 -6.040 -1.531 321 HG LEU 45 HG LEU 45 -5.642 -4.451 0.864 322 HD11 LEU 45 HD11 LEU 45 -4.103 -6.956 0.444 323 HD12 LEU 45 HD12 LEU 45 -5.742 -6.785 1.106 324 HD13 LEU 45 HD13 LEU 45 -4.330 -6.157 1.995 325 HD21 LEU 45 HD21 LEU 45 -2.793 -4.760 -0.066 326 HD22 LEU 45 HD22 LEU 45 -3.346 -4.158 1.515 327 HD23 LEU 45 HD23 LEU 45 -3.734 -3.259 0.048 328 H MET 46 HN MET 46 -4.446 -5.804 -3.642 329 HA MET 46 HA MET 46 -1.643 -5.585 -3.427 330 HB2 MET 46 HB2 MET 46 -1.479 -7.237 -5.163 331 HB3 MET 46 HB1 MET 46 -2.755 -7.670 -4.043 332 HG2 MET 46 HG2 MET 46 -3.791 -8.135 -6.013 333 HG3 MET 46 HG1 MET 46 -4.218 -6.425 -5.764 334 HE1 MET 46 HE1 MET 46 -0.798 -7.659 -8.614 335 HE2 MET 46 HE2 MET 46 -1.707 -8.835 -7.663 336 HE3 MET 46 HE3 MET 46 -0.668 -7.659 -6.854 337 H GLU 47 HN GLU 47 -3.881 -4.200 -5.771 338 HA GLU 47 HA GLU 47 -1.909 -3.441 -7.636 339 HB2 GLU 47 HB2 GLU 47 -4.385 -3.615 -8.084 340 HB3 GLU 47 HB1 GLU 47 -4.599 -2.124 -7.180 341 HG2 GLU 47 HG2 GLU 47 -3.322 -0.896 -8.791 342 HG3 GLU 47 HG1 GLU 47 -2.907 -2.378 -9.647 343 H THR 48 HN THR 48 -3.031 -2.088 -4.724 344 HA THR 48 HA THR 48 -2.012 0.528 -4.819 345 HB THR 48 HB THR 48 -2.328 -1.438 -2.542 346 HG1 THR 48 HG1 THR 48 -4.265 -1.026 -3.576 347 HG21 THR 48 HG21 THR 48 -2.079 1.578 -2.427 348 HG22 THR 48 HG22 THR 48 -0.860 0.426 -1.889 349 HG23 THR 48 HG23 THR 48 -2.415 0.518 -1.057 350 H ALA 49 HN ALA 49 -0.654 -2.447 -3.413 351 HA ALA 49 HA ALA 49 1.924 -1.496 -2.892 352 HB1 ALA 49 HB1 ALA 49 1.059 -3.571 -1.924 353 HB2 ALA 49 HB2 ALA 49 2.580 -3.832 -2.800 354 HB3 ALA 49 HB3 ALA 49 1.056 -4.305 -3.536 355 H ALA 50 HN ALA 50 0.607 -3.291 -5.639 356 HA ALA 50 HA ALA 50 2.853 -3.747 -7.141 357 HB1 ALA 50 HB1 ALA 50 0.090 -3.147 -8.160 358 HB2 ALA 50 HB2 ALA 50 0.653 -4.710 -7.576 359 HB3 ALA 50 HB3 ALA 50 1.361 -4.004 -9.029 360 H ARG 51 HN ARG 51 0.821 -0.881 -7.121 361 HA ARG 51 HA ARG 51 1.981 0.433 -9.302 362 HB2 ARG 51 HB2 ARG 51 -0.158 1.071 -8.141 363 HB3 ARG 51 HB1 ARG 51 0.807 1.702 -6.815 364 HG2 ARG 51 HG2 ARG 51 0.086 3.504 -8.249 365 HG3 ARG 51 HG1 ARG 51 1.838 3.312 -8.368 366 HD2 ARG 51 HD2 ARG 51 1.553 2.019 -10.425 367 HD3 ARG 51 HD1 ARG 51 -0.193 2.216 -10.310 368 HE ARG 51 HE ARG 51 0.964 4.753 -10.290 369 HH11 ARG 51 HH11 ARG 51 0.586 2.013 -12.518 370 HH12 ARG 51 HH12 ARG 51 0.623 2.985 -13.917 371 HH21 ARG 51 HH21 ARG 51 1.054 6.060 -12.210 372 HH22 ARG 51 HH22 ARG 51 0.956 5.312 -13.746 373 H LEU 52 HN LEU 52 2.677 0.555 -5.853 374 HA LEU 52 HA LEU 52 4.867 2.339 -6.108 375 HB2 LEU 52 HB2 LEU 52 4.084 0.539 -3.820 376 HB3 LEU 52 HB1 LEU 52 5.314 1.784 -3.738 377 HG LEU 52 HG LEU 52 2.369 2.264 -4.240 378 HD11 LEU 52 HD11 LEU 52 2.794 1.581 -1.960 379 HD12 LEU 52 HD12 LEU 52 2.377 3.293 -2.030 380 HD13 LEU 52 HD13 LEU 52 4.057 2.801 -1.811 381 HD21 LEU 52 HD21 LEU 52 3.768 3.916 -5.374 382 HD22 LEU 52 HD22 LEU 52 4.640 4.221 -3.871 383 HD23 LEU 52 HD23 LEU 52 2.929 4.637 -3.999 384 H GLU 53 HN GLU 53 4.602 -1.192 -5.907 385 HA GLU 53 HA GLU 53 7.241 -1.960 -5.523 386 HB2 GLU 53 HB2 GLU 53 5.243 -3.266 -7.387 387 HB3 GLU 53 HB1 GLU 53 6.750 -3.983 -6.876 388 HG2 GLU 53 HG2 GLU 53 5.864 -4.020 -4.552 389 HG3 GLU 53 HG1 GLU 53 4.345 -3.391 -5.184 390 H SER 54 HN SER 54 5.540 -1.635 -8.560 391 HA SER 54 HA SER 54 7.750 -2.165 -10.199 392 HB2 SER 54 HB2 SER 54 5.377 -2.462 -10.853 393 HB3 SER 54 HB1 SER 54 5.219 -0.713 -10.958 394 HG SER 54 HG SER 54 6.432 -2.524 -12.642 395 H ARG 55 HN ARG 55 6.492 0.899 -8.960 396 HA ARG 55 HA ARG 55 8.004 2.490 -10.736 397 HB2 ARG 55 HB2 ARG 55 6.154 3.565 -9.606 398 HB3 ARG 55 HB1 ARG 55 6.869 3.237 -8.024 399 HG2 ARG 55 HG2 ARG 55 8.786 4.669 -8.624 400 HG3 ARG 55 HG1 ARG 55 8.015 5.026 -10.155 401 HD2 ARG 55 HD2 ARG 55 6.307 6.283 -9.100 402 HD3 ARG 55 HD1 ARG 55 6.742 5.663 -7.499 403 HE ARG 55 HE ARG 55 9.010 6.836 -8.548 404 HH11 ARG 55 HH11 ARG 55 5.795 8.147 -7.670 405 HH12 ARG 55 HH12 ARG 55 6.472 9.582 -7.052 406 HH21 ARG 55 HH21 ARG 55 9.829 8.726 -7.752 407 HH22 ARG 55 HH22 ARG 55 8.832 9.949 -7.095 408 H TYR 56 HN TYR 56 8.805 1.090 -7.605 409 HA TYR 56 HA TYR 56 11.344 2.531 -7.752 410 HB2 TYR 56 HB2 TYR 56 10.168 1.110 -5.361 411 HB3 TYR 56 HB1 TYR 56 11.643 2.065 -5.387 412 HD1 TYR 56 HD2 TYR 56 11.409 4.545 -6.178 413 HD2 TYR 56 HD1 TYR 56 8.155 2.182 -4.819 414 HE1 TYR 56 HE2 TYR 56 10.142 6.588 -5.676 415 HE2 TYR 56 HE1 TYR 56 6.876 4.217 -4.314 416 HH TYR 56 HH TYR 56 7.751 7.235 -5.452 417 H GLY 57 HN GLY 57 10.275 -0.292 -8.788 418 HA2 GLY 57 HA2 GLY 57 11.444 -2.068 -9.677 419 HA3 GLY 57 HA1 GLY 57 12.923 -1.311 -9.112 420 H VAL 58 HN VAL 58 10.305 -2.057 -6.966 421 HA VAL 58 HA VAL 58 11.917 -4.245 -5.856 422 HB VAL 58 HB VAL 58 11.037 -3.685 -3.592 423 HG11 VAL 58 HG11 VAL 58 12.497 -1.422 -4.945 424 HG12 VAL 58 HG12 VAL 58 13.227 -2.870 -4.249 425 HG13 VAL 58 HG13 VAL 58 12.419 -1.700 -3.204 426 HG21 VAL 58 HG21 VAL 58 9.946 -1.202 -4.937 427 HG22 VAL 58 HG22 VAL 58 9.965 -1.501 -3.198 428 HG23 VAL 58 HG23 VAL 58 8.985 -2.515 -4.258 429 H SER 59 HN SER 59 10.388 -5.670 -4.335 430 HA SER 59 HA SER 59 7.688 -5.676 -5.321 431 HB2 SER 59 HB2 SER 59 9.051 -7.042 -6.974 432 HB3 SER 59 HB1 SER 59 9.352 -8.180 -5.664 433 HG SER 59 HG SER 59 6.714 -7.433 -6.076 434 H ILE 60 HN ILE 60 6.270 -6.754 -4.024 435 HA ILE 60 HA ILE 60 7.233 -7.528 -1.347 436 HB ILE 60 HB ILE 60 4.464 -6.791 -2.350 437 HG12 ILE 60 HG12 ILE 60 6.343 -5.260 -0.539 438 HG13 ILE 60 HG11 ILE 60 5.942 -4.849 -2.205 439 HG21 ILE 60 HG21 ILE 60 5.332 -7.443 0.462 440 HG22 ILE 60 HG22 ILE 60 4.281 -8.415 -0.564 441 HG23 ILE 60 HG23 ILE 60 3.744 -6.830 -0.005 442 HD11 ILE 60 HD11 ILE 60 4.023 -4.920 0.106 443 HD12 ILE 60 HD12 ILE 60 3.625 -4.485 -1.557 444 HD13 ILE 60 HD13 ILE 60 4.720 -3.473 -0.617 445 HA PRO 61 HA PRO 61 6.232 -11.847 -2.365 446 HB2 PRO 61 HB2 PRO 61 5.550 -11.853 0.548 447 HB3 PRO 61 HB1 PRO 61 6.557 -12.986 -0.371 448 HG2 PRO 61 HG2 PRO 61 7.679 -11.201 1.218 449 HG3 PRO 61 HG1 PRO 61 8.387 -11.558 -0.371 450 HD2 PRO 61 HD2 PRO 61 6.769 -9.206 0.506 451 HD3 PRO 61 HD1 PRO 61 8.161 -9.270 -0.597 452 H ASP 62 HN ASP 62 4.346 -12.692 -2.997 453 HA ASP 62 HA ASP 62 1.971 -11.226 -3.055 454 HB2 ASP 62 HB2 ASP 62 2.371 -14.197 -3.498 455 HB3 ASP 62 HB1 ASP 62 0.847 -13.359 -3.755 456 H ASP 63 HN ASP 63 2.921 -13.846 -0.927 457 HA ASP 63 HA ASP 63 0.362 -14.011 0.362 458 HB2 ASP 63 HB2 ASP 63 3.047 -15.088 1.256 459 HB3 ASP 63 HB1 ASP 63 1.511 -15.459 2.018 460 H VAL 64 HN VAL 64 3.305 -12.262 0.887 461 HA VAL 64 HA VAL 64 2.686 -11.660 3.624 462 HB VAL 64 HB VAL 64 4.897 -10.515 1.877 463 HG11 VAL 64 HG11 VAL 64 5.956 -9.793 3.971 464 HG12 VAL 64 HG12 VAL 64 4.547 -10.351 4.875 465 HG13 VAL 64 HG13 VAL 64 4.392 -9.007 3.741 466 HG21 VAL 64 HG21 VAL 64 5.103 -12.907 2.217 467 HG22 VAL 64 HG22 VAL 64 4.945 -12.693 3.960 468 HG23 VAL 64 HG23 VAL 64 6.352 -12.046 3.113 469 H ALA 65 HN ALA 65 2.114 -10.116 0.578 470 HA ALA 65 HA ALA 65 1.401 -7.593 1.645 471 HB1 ALA 65 HB1 ALA 65 0.158 -7.232 -0.441 472 HB2 ALA 65 HB2 ALA 65 0.445 -8.928 -0.888 473 HB3 ALA 65 HB3 ALA 65 1.796 -7.808 -0.715 474 H GLY 66 HN GLY 66 -0.157 -10.631 1.846 475 HA2 GLY 66 HA2 GLY 66 -2.682 -9.381 2.659 476 HA3 GLY 66 HA1 GLY 66 -2.432 -11.098 2.348 477 H ARG 67 HN ARG 67 0.201 -10.081 3.955 478 HA ARG 67 HA ARG 67 -0.800 -11.065 6.523 479 HB2 ARG 67 HB2 ARG 67 1.987 -10.904 5.370 480 HB3 ARG 67 HB1 ARG 67 1.646 -11.376 7.041 481 HG2 ARG 67 HG2 ARG 67 0.364 -13.257 6.222 482 HG3 ARG 67 HG1 ARG 67 0.680 -12.745 4.561 483 HD2 ARG 67 HD2 ARG 67 3.097 -12.966 5.016 484 HD3 ARG 67 HD1 ARG 67 2.704 -13.620 6.606 485 HE ARG 67 HE ARG 67 1.280 -15.116 4.845 486 HH11 ARG 67 HH11 ARG 67 4.709 -14.385 5.336 487 HH12 ARG 67 HH12 ARG 67 5.277 -15.863 4.726 488 HH21 ARG 67 HH21 ARG 67 2.037 -17.139 3.971 489 HH22 ARG 67 HH22 ARG 67 3.711 -17.477 3.877 490 H VAL 68 HN VAL 68 -0.398 -8.265 5.052 491 HA VAL 68 HA VAL 68 0.754 -6.794 7.267 492 HB VAL 68 HB VAL 68 0.264 -4.751 5.903 493 HG11 VAL 68 HG11 VAL 68 1.854 -5.192 4.126 494 HG12 VAL 68 HG12 VAL 68 1.703 -6.924 4.416 495 HG13 VAL 68 HG13 VAL 68 2.391 -5.880 5.658 496 HG21 VAL 68 HG21 VAL 68 -0.722 -6.717 3.849 497 HG22 VAL 68 HG22 VAL 68 -0.584 -4.967 3.647 498 HG23 VAL 68 HG23 VAL 68 -1.751 -5.644 4.789 499 H ASP 69 HN ASP 69 -0.748 -4.628 7.536 500 HA ASP 69 HA ASP 69 -3.372 -5.660 8.462 501 HB2 ASP 69 HB2 ASP 69 -1.495 -3.957 10.143 502 HB3 ASP 69 HB1 ASP 69 -3.124 -4.425 10.594 503 H THR 70 HN THR 70 -1.663 -2.641 8.915 504 HA THR 70 HA THR 70 -3.940 -1.227 7.810 505 HB THR 70 HB THR 70 -2.725 0.723 8.835 506 HG1 THR 70 HG1 THR 70 -1.160 -0.840 10.456 507 HG21 THR 70 HG21 THR 70 -3.252 0.115 11.166 508 HG22 THR 70 HG22 THR 70 -3.336 -1.584 10.703 509 HG23 THR 70 HG23 THR 70 -4.518 -0.439 10.070 510 HA PRO 71 HA PRO 71 -1.620 0.064 4.183 511 HB2 PRO 71 HB2 PRO 71 -2.269 2.845 5.054 512 HB3 PRO 71 HB1 PRO 71 -2.496 2.091 3.467 513 HG2 PRO 71 HG2 PRO 71 -4.593 2.441 5.021 514 HG3 PRO 71 HG1 PRO 71 -4.381 0.901 4.162 515 HD2 PRO 71 HD2 PRO 71 -3.834 1.561 7.029 516 HD3 PRO 71 HD1 PRO 71 -4.614 0.123 6.341 517 H ARG 72 HN ARG 72 -1.195 1.808 7.230 518 HA ARG 72 HA ARG 72 1.350 2.889 6.884 519 HB2 ARG 72 HB2 ARG 72 0.022 3.316 8.905 520 HB3 ARG 72 HB1 ARG 72 0.207 1.638 9.402 521 HG2 ARG 72 HG2 ARG 72 2.667 2.003 9.493 522 HG3 ARG 72 HG1 ARG 72 2.380 3.703 9.150 523 HD2 ARG 72 HD2 ARG 72 1.329 2.187 11.531 524 HD3 ARG 72 HD1 ARG 72 2.724 3.260 11.537 525 HE ARG 72 HE ARG 72 -0.087 3.988 11.334 526 HH11 ARG 72 HH11 ARG 72 3.289 5.059 11.384 527 HH12 ARG 72 HH12 ARG 72 2.984 6.642 11.893 528 HH21 ARG 72 HH21 ARG 72 -0.565 6.175 12.121 529 HH22 ARG 72 HH22 ARG 72 0.706 7.288 12.359 530 H GLU 73 HN GLU 73 0.427 -0.309 8.052 531 HA GLU 73 HA GLU 73 3.008 -1.347 8.436 532 HB2 GLU 73 HB2 GLU 73 0.917 -2.268 9.418 533 HB3 GLU 73 HB1 GLU 73 0.418 -2.795 7.824 534 HG2 GLU 73 HG2 GLU 73 1.269 -4.642 9.114 535 HG3 GLU 73 HG1 GLU 73 2.323 -4.318 7.740 536 H LEU 74 HN LEU 74 0.804 -1.438 5.693 537 HA LEU 74 HA LEU 74 2.417 -3.086 4.039 538 HB2 LEU 74 HB2 LEU 74 -0.065 -2.702 3.800 539 HB3 LEU 74 HB1 LEU 74 0.269 -1.088 3.243 540 HG LEU 74 HG LEU 74 -0.417 -2.807 1.508 541 HD11 LEU 74 HD11 LEU 74 2.224 -1.408 1.066 542 HD12 LEU 74 HD12 LEU 74 0.623 -0.702 0.844 543 HD13 LEU 74 HD13 LEU 74 1.158 -2.018 -0.202 544 HD21 LEU 74 HD21 LEU 74 1.335 -4.293 0.643 545 HD22 LEU 74 HD22 LEU 74 0.890 -4.683 2.302 546 HD23 LEU 74 HD23 LEU 74 2.386 -3.810 1.974 547 H LEU 75 HN LEU 75 2.080 0.422 4.357 548 HA LEU 75 HA LEU 75 3.860 1.335 2.425 549 HB2 LEU 75 HB2 LEU 75 2.382 2.796 3.707 550 HB3 LEU 75 HB1 LEU 75 3.281 2.442 5.171 551 HG LEU 75 HG LEU 75 5.267 3.538 4.158 552 HD11 LEU 75 HD11 LEU 75 4.960 4.944 2.203 553 HD12 LEU 75 HD12 LEU 75 3.324 4.321 2.006 554 HD13 LEU 75 HD13 LEU 75 4.710 3.240 1.832 555 HD21 LEU 75 HD21 LEU 75 4.442 5.827 4.438 556 HD22 LEU 75 HD22 LEU 75 3.810 4.754 5.689 557 HD23 LEU 75 HD23 LEU 75 2.783 5.239 4.340 558 H ASP 76 HN ASP 76 4.422 0.564 5.814 559 HA ASP 76 HA ASP 76 7.156 1.104 5.953 560 HB2 ASP 76 HB2 ASP 76 5.787 0.813 7.933 561 HB3 ASP 76 HB1 ASP 76 5.508 -0.874 7.527 562 H LEU 77 HN LEU 77 5.458 -1.767 4.980 563 HA LEU 77 HA LEU 77 7.685 -3.495 4.793 564 HB2 LEU 77 HB2 LEU 77 5.326 -4.241 4.820 565 HB3 LEU 77 HB1 LEU 77 5.100 -3.541 3.235 566 HG LEU 77 HG LEU 77 6.682 -5.168 2.290 567 HD11 LEU 77 HD11 LEU 77 6.754 -6.300 5.087 568 HD12 LEU 77 HD12 LEU 77 8.091 -5.502 4.260 569 HD13 LEU 77 HD13 LEU 77 7.473 -7.037 3.654 570 HD21 LEU 77 HD21 LEU 77 5.268 -7.144 2.565 571 HD22 LEU 77 HD22 LEU 77 4.309 -5.684 2.341 572 HD23 LEU 77 HD23 LEU 77 4.482 -6.387 3.949 573 H ILE 78 HN ILE 78 6.160 -1.274 2.510 574 HA ILE 78 HA ILE 78 7.882 -1.974 0.343 575 HB ILE 78 HB ILE 78 6.145 0.503 0.686 576 HG12 ILE 78 HG12 ILE 78 5.725 -2.086 -0.793 577 HG13 ILE 78 HG11 ILE 78 4.875 -1.579 0.660 578 HG21 ILE 78 HG21 ILE 78 7.955 0.902 -0.936 579 HG22 ILE 78 HG22 ILE 78 6.397 0.796 -1.752 580 HG23 ILE 78 HG23 ILE 78 7.511 -0.571 -1.802 581 HD11 ILE 78 HD11 ILE 78 3.849 0.256 -0.635 582 HD12 ILE 78 HD12 ILE 78 3.485 -1.343 -1.296 583 HD13 ILE 78 HD13 ILE 78 4.701 -0.333 -2.068 584 H ASN 79 HN ASN 79 7.868 0.501 2.805 585 HA ASN 79 HA ASN 79 10.129 1.913 1.906 586 HB2 ASN 79 HB2 ASN 79 9.025 1.563 4.689 587 HB3 ASN 79 HB1 ASN 79 10.411 2.583 4.340 588 HD21 ASN 79 HD21 ASN 79 7.927 3.343 5.442 589 HD22 ASN 79 HD22 ASN 79 7.209 4.503 4.363 590 H GLY 80 HN GLY 80 9.796 -0.953 3.860 591 HA2 GLY 80 HA2 GLY 80 12.495 -1.288 4.553 592 HA3 GLY 80 HA1 GLY 80 11.305 -2.581 4.418 593 H ALA 81 HN ALA 81 10.663 -2.122 1.708 594 HA ALA 81 HA ALA 81 12.795 -3.511 0.427 595 HB1 ALA 81 HB1 ALA 81 11.341 -3.490 -1.545 596 HB2 ALA 81 HB2 ALA 81 10.260 -2.354 -0.739 597 HB3 ALA 81 HB3 ALA 81 10.446 -3.989 -0.110 598 H LEU 82 HN LEU 82 11.764 -0.210 0.668 599 HA LEU 82 HA LEU 82 13.118 0.786 -1.603 600 HB2 LEU 82 HB2 LEU 82 12.308 2.218 0.918 601 HB3 LEU 82 HB1 LEU 82 12.926 3.009 -0.514 602 HG LEU 82 HG LEU 82 10.339 1.494 -0.262 603 HD11 LEU 82 HD11 LEU 82 9.334 3.662 -0.723 604 HD12 LEU 82 HD12 LEU 82 10.936 4.400 -0.739 605 HD13 LEU 82 HD13 LEU 82 10.305 3.692 0.748 606 HD21 LEU 82 HD21 LEU 82 11.532 2.856 -2.671 607 HD22 LEU 82 HD22 LEU 82 9.911 2.166 -2.569 608 HD23 LEU 82 HD23 LEU 82 11.325 1.117 -2.457 609 H ALA 83 HN ALA 83 14.278 -0.274 1.365 610 HA ALA 83 HA ALA 83 16.647 1.234 1.584 611 HB1 ALA 83 HB1 ALA 83 16.123 -1.593 2.495 612 HB2 ALA 83 HB2 ALA 83 15.749 -0.135 3.410 613 HB3 ALA 83 HB3 ALA 83 17.427 -0.549 3.059 614 H GLU 84 HN GLU 84 15.735 -1.285 -0.594 615 HA GLU 84 HA GLU 84 18.526 -1.573 -1.512 616 HB2 GLU 84 HB2 GLU 84 17.826 -3.689 -2.532 617 HB3 GLU 84 HB1 GLU 84 17.419 -3.696 -0.821 618 HG2 GLU 84 HG2 GLU 84 15.107 -3.041 -1.438 619 HG3 GLU 84 HG1 GLU 84 15.559 -3.221 -3.124 620 H ALA 85 HN ALA 85 16.213 0.422 -2.040 621 HA ALA 85 HA ALA 85 16.027 0.078 -4.937 622 HB1 ALA 85 HB1 ALA 85 14.249 1.679 -3.102 623 HB2 ALA 85 HB2 ALA 85 13.874 0.094 -3.779 624 HB3 ALA 85 HB3 ALA 85 14.042 1.489 -4.843 625 H ALA 86 HN ALA 86 16.077 1.990 -6.198 626 HA ALA 86 HA ALA 86 17.878 4.017 -5.094 627 HB1 ALA 86 HB1 ALA 86 18.874 2.715 -6.923 628 HB2 ALA 86 HB2 ALA 86 18.610 4.388 -7.419 629 HB3 ALA 86 HB3 ALA 86 17.507 3.124 -7.961 630 H281 PSR 87 H28A PSR 87 -7.303 -10.892 -6.989 631 H282 PSR 87 H28B PSR 87 -6.873 -9.941 -5.573 632 H301 PSR 87 H30A PSR 87 -4.881 -9.419 -6.553 633 H302 PSR 87 H30B PSR 87 -5.124 -10.415 -7.998 634 H303 PSR 87 H30C PSR 87 -3.655 -10.590 -7.020 635 H311 PSR 87 H31A PSR 87 -4.742 -10.382 -4.358 636 H312 PSR 87 H31B PSR 87 -3.700 -11.713 -4.860 637 H313 PSR 87 H31C PSR 87 -5.250 -12.049 -4.091 638 H321 PSR 87 H32A PSR 87 -4.260 -13.060 -7.073 639 H331 PSR 87 H33A PSR 87 -6.642 -13.596 -7.892 640 H361 PSR 87 H36A PSR 87 -4.384 -13.880 -4.689 641 H371 PSR 87 H37A PSR 87 -6.706 -15.522 -3.989 642 H372 PSR 87 H37B PSR 87 -5.186 -16.340 -4.311 643 H381 PSR 87 H38A PSR 87 -5.373 -16.029 -1.958 644 H382 PSR 87 H38B PSR 87 -4.089 -14.954 -2.550 645 H411 PSR 87 H41A PSR 87 -4.241 -13.588 -0.829 646 H421 PSR 87 H42A PSR 87 -6.732 -12.122 -0.324 647 H422 PSR 87 H42B PSR 87 -5.338 -12.243 0.746 648 H431 PSR 87 H43A PSR 87 -5.326 -10.048 -0.253 649 H432 PSR 87 H43B PSR 87 -5.438 -10.773 -1.861 650 HC21 PSR 87 H2A PSR 87 -1.013 -10.324 -1.814 651 HC22 PSR 87 H2B PSR 87 -1.234 -8.632 -2.336 652 HC31 PSR 87 H3A PSR 87 -2.029 -9.495 -4.519 653 HC32 PSR 87 H3B PSR 87 -1.646 -11.136 -3.964 654 HC41 PSR 87 H4C PSR 87 0.682 -10.459 -3.636 655 HC42 PSR 87 H4A PSR 87 0.286 -8.831 -4.183 656 HC43 PSR 87 H4B PSR 87 0.170 -10.186 -5.302 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 19.803 9.225 6.713 2 H2 MET 1 HT2 MET 1 20.505 8.919 5.193 3 H3 MET 1 HT3 MET 1 19.353 7.855 5.827 4 HA MET 1 HA MET 1 17.672 9.488 5.688 5 HB2 MET 1 HB2 MET 1 19.130 11.480 5.970 6 HB3 MET 1 HB1 MET 1 19.781 11.209 4.358 7 HG2 MET 1 HG2 MET 1 17.518 11.511 3.421 8 HG3 MET 1 HG1 MET 1 16.919 11.865 5.037 9 HE1 MET 1 HE1 MET 1 19.411 13.566 6.201 10 HE2 MET 1 HE2 MET 1 17.724 14.011 6.459 11 HE3 MET 1 HE3 MET 1 18.866 15.207 5.846 12 H ALA 2 HN ALA 2 16.630 8.252 4.395 13 HA ALA 2 HA ALA 2 17.408 8.148 1.568 14 HB1 ALA 2 HB1 ALA 2 17.799 5.946 2.589 15 HB2 ALA 2 HB2 ALA 2 16.406 5.874 1.508 16 HB3 ALA 2 HB3 ALA 2 16.165 5.956 3.253 17 H THR 3 HN THR 3 15.700 8.659 0.227 18 HA THR 3 HA THR 3 13.494 9.932 1.486 19 HB THR 3 HB THR 3 14.431 10.884 -0.554 20 HG1 THR 3 HG1 THR 3 12.445 10.980 -1.842 21 HG21 THR 3 HG21 THR 3 15.162 8.854 -1.721 22 HG22 THR 3 HG22 THR 3 14.140 9.835 -2.774 23 HG23 THR 3 HG23 THR 3 13.481 8.395 -2.000 24 H LEU 4 HN LEU 4 12.005 8.846 2.408 25 HA LEU 4 HA LEU 4 11.071 6.318 1.256 26 HB2 LEU 4 HB2 LEU 4 10.784 7.357 4.076 27 HB3 LEU 4 HB1 LEU 4 10.215 5.803 3.497 28 HG LEU 4 HG LEU 4 13.091 6.683 3.751 29 HD11 LEU 4 HD11 LEU 4 11.500 4.616 5.250 30 HD12 LEU 4 HD12 LEU 4 12.043 6.174 5.872 31 HD13 LEU 4 HD13 LEU 4 13.224 4.935 5.443 32 HD21 LEU 4 HD21 LEU 4 13.673 4.398 3.089 33 HD22 LEU 4 HD22 LEU 4 12.807 5.240 1.802 34 HD23 LEU 4 HD23 LEU 4 11.968 4.048 2.794 35 H LEU 5 HN LEU 5 8.700 5.887 1.832 36 HA LEU 5 HA LEU 5 7.211 8.036 0.631 37 HB2 LEU 5 HB2 LEU 5 6.376 5.282 1.498 38 HB3 LEU 5 HB1 LEU 5 5.391 6.405 0.577 39 HG LEU 5 HG LEU 5 7.961 5.141 -0.347 40 HD11 LEU 5 HD11 LEU 5 6.103 3.565 -0.244 41 HD12 LEU 5 HD12 LEU 5 6.527 3.940 -1.914 42 HD13 LEU 5 HD13 LEU 5 5.100 4.674 -1.181 43 HD21 LEU 5 HD21 LEU 5 7.411 6.171 -2.492 44 HD22 LEU 5 HD22 LEU 5 7.661 7.377 -1.224 45 HD23 LEU 5 HD23 LEU 5 6.025 6.962 -1.737 46 H THR 6 HN THR 6 5.752 9.293 1.611 47 HA THR 6 HA THR 6 5.415 8.923 4.491 48 HB THR 6 HB THR 6 4.613 11.262 4.483 49 HG1 THR 6 HG1 THR 6 5.291 11.182 1.693 50 HG21 THR 6 HG21 THR 6 6.760 12.346 3.985 51 HG22 THR 6 HG22 THR 6 7.284 10.900 3.125 52 HG23 THR 6 HG23 THR 6 6.987 10.832 4.862 53 H THR 7 HN THR 7 3.104 9.970 5.138 54 HA THR 7 HA THR 7 1.022 8.370 4.297 55 HB THR 7 HB THR 7 0.772 11.234 5.261 56 HG1 THR 7 HG1 THR 7 1.004 10.355 7.341 57 HG21 THR 7 HG21 THR 7 -1.250 10.374 6.375 58 HG22 THR 7 HG22 THR 7 -0.933 8.768 5.722 59 HG23 THR 7 HG23 THR 7 -1.330 10.098 4.634 60 H ASP 8 HN ASP 8 2.119 11.506 3.180 61 HA ASP 8 HA ASP 8 0.140 12.250 1.362 62 HB2 ASP 8 HB2 ASP 8 1.875 13.755 2.101 63 HB3 ASP 8 HB1 ASP 8 3.112 12.753 1.362 64 H ASP 9 HN ASP 9 3.090 10.403 0.835 65 HA ASP 9 HA ASP 9 2.809 10.002 -1.975 66 HB2 ASP 9 HB2 ASP 9 4.323 8.334 0.050 67 HB3 ASP 9 HB1 ASP 9 4.467 8.178 -1.687 68 H LEU 10 HN LEU 10 2.217 7.957 0.812 69 HA LEU 10 HA LEU 10 1.320 5.712 -0.629 70 HB2 LEU 10 HB2 LEU 10 2.291 5.685 1.637 71 HB3 LEU 10 HB1 LEU 10 0.844 6.447 2.254 72 HG LEU 10 HG LEU 10 -0.434 4.428 1.476 73 HD11 LEU 10 HD11 LEU 10 0.816 2.379 1.037 74 HD12 LEU 10 HD12 LEU 10 2.325 3.292 1.075 75 HD13 LEU 10 HD13 LEU 10 1.131 3.613 -0.184 76 HD21 LEU 10 HD21 LEU 10 1.756 3.991 3.494 77 HD22 LEU 10 HD22 LEU 10 0.291 3.022 3.346 78 HD23 LEU 10 HD23 LEU 10 0.183 4.721 3.804 79 H ARG 11 HN ARG 11 -0.295 8.568 0.507 80 HA ARG 11 HA ARG 11 -2.934 7.761 0.713 81 HB2 ARG 11 HB2 ARG 11 -1.718 10.145 0.954 82 HB3 ARG 11 HB1 ARG 11 -2.450 10.370 -0.632 83 HG2 ARG 11 HG2 ARG 11 -4.645 9.780 0.343 84 HG3 ARG 11 HG1 ARG 11 -3.877 9.689 1.929 85 HD2 ARG 11 HD2 ARG 11 -4.791 11.828 1.889 86 HD3 ARG 11 HD1 ARG 11 -3.103 12.100 1.456 87 HE ARG 11 HE ARG 11 -4.992 11.730 -0.709 88 HH11 ARG 11 HH11 ARG 11 -3.008 14.027 1.141 89 HH12 ARG 11 HH12 ARG 11 -3.324 15.335 0.086 90 HH21 ARG 11 HH21 ARG 11 -5.474 13.568 -2.087 91 HH22 ARG 11 HH22 ARG 11 -4.714 15.054 -1.827 92 H ARG 12 HN ARG 12 -1.392 9.181 -2.181 93 HA ARG 12 HA ARG 12 -3.531 8.519 -3.867 94 HB2 ARG 12 HB2 ARG 12 -2.091 8.930 -5.795 95 HB3 ARG 12 HB1 ARG 12 -1.930 10.208 -4.606 96 HG2 ARG 12 HG2 ARG 12 0.213 9.497 -3.986 97 HG3 ARG 12 HG1 ARG 12 0.009 7.932 -4.774 98 HD2 ARG 12 HD2 ARG 12 0.035 10.563 -6.244 99 HD3 ARG 12 HD1 ARG 12 1.465 9.566 -6.001 100 HE ARG 12 HE ARG 12 -0.784 8.217 -7.261 101 HH11 ARG 12 HH11 ARG 12 2.029 10.258 -7.917 102 HH12 ARG 12 HH12 ARG 12 2.441 9.478 -9.381 103 HH21 ARG 12 HH21 ARG 12 -0.262 7.170 -9.302 104 HH22 ARG 12 HH22 ARG 12 1.087 7.681 -10.203 105 H ALA 13 HN ALA 13 -0.805 6.662 -2.791 106 HA ALA 13 HA ALA 13 -0.773 4.740 -4.849 107 HB1 ALA 13 HB1 ALA 13 0.038 4.389 -1.967 108 HB2 ALA 13 HB2 ALA 13 1.063 5.022 -3.252 109 HB3 ALA 13 HB3 ALA 13 0.505 3.348 -3.312 110 H LEU 14 HN LEU 14 -2.470 4.808 -1.766 111 HA LEU 14 HA LEU 14 -3.822 2.344 -2.119 112 HB2 LEU 14 HB2 LEU 14 -4.299 4.771 -0.437 113 HB3 LEU 14 HB1 LEU 14 -5.587 3.604 -0.601 114 HG LEU 14 HG LEU 14 -4.311 3.305 1.473 115 HD11 LEU 14 HD11 LEU 14 -3.908 0.911 1.294 116 HD12 LEU 14 HD12 LEU 14 -3.993 1.035 -0.464 117 HD13 LEU 14 HD13 LEU 14 -5.416 1.393 0.515 118 HD21 LEU 14 HD21 LEU 14 -1.996 2.614 -0.326 119 HD22 LEU 14 HD22 LEU 14 -2.033 2.428 1.428 120 HD23 LEU 14 HD23 LEU 14 -2.115 4.036 0.707 121 H VAL 15 HN VAL 15 -4.733 5.684 -2.788 122 HA VAL 15 HA VAL 15 -7.187 5.003 -3.911 123 HB VAL 15 HB VAL 15 -5.710 7.654 -3.912 124 HG11 VAL 15 HG11 VAL 15 -7.718 8.694 -4.849 125 HG12 VAL 15 HG12 VAL 15 -8.468 7.109 -5.050 126 HG13 VAL 15 HG13 VAL 15 -7.056 7.544 -6.011 127 HG21 VAL 15 HG21 VAL 15 -7.530 8.280 -2.475 128 HG22 VAL 15 HG22 VAL 15 -6.665 6.870 -1.859 129 HG23 VAL 15 HG23 VAL 15 -8.235 6.672 -2.645 130 H GLU 16 HN GLU 16 -4.105 4.940 -5.436 131 HA GLU 16 HA GLU 16 -4.735 5.087 -8.149 132 HB2 GLU 16 HB2 GLU 16 -2.896 3.047 -6.846 133 HB3 GLU 16 HB1 GLU 16 -2.906 3.488 -8.535 134 HG2 GLU 16 HG2 GLU 16 -2.166 5.338 -6.278 135 HG3 GLU 16 HG1 GLU 16 -1.024 4.401 -7.225 136 H SER 17 HN SER 17 -4.831 2.381 -5.924 137 HA SER 17 HA SER 17 -6.112 0.630 -7.815 138 HB2 SER 17 HB2 SER 17 -5.808 -0.950 -5.823 139 HB3 SER 17 HB1 SER 17 -4.377 -0.337 -6.644 140 HG SER 17 HG SER 17 -5.359 1.159 -4.463 141 H ALA 18 HN ALA 18 -7.236 2.928 -5.743 142 HA ALA 18 HA ALA 18 -9.368 1.507 -4.466 143 HB1 ALA 18 HB1 ALA 18 -8.488 3.592 -3.529 144 HB2 ALA 18 HB2 ALA 18 -10.223 3.703 -3.837 145 HB3 ALA 18 HB3 ALA 18 -9.081 4.475 -4.936 146 H GLY 19 HN GLY 19 -9.039 3.420 -7.380 147 HA2 GLY 19 HA2 GLY 19 -10.332 2.994 -9.325 148 HA3 GLY 19 HA1 GLY 19 -11.609 2.352 -8.294 149 H GLU 20 HN GLU 20 -11.989 4.195 -6.461 150 HA GLU 20 HA GLU 20 -12.754 6.215 -5.840 151 HB2 GLU 20 HB2 GLU 20 -10.718 7.127 -6.981 152 HB3 GLU 20 HB1 GLU 20 -11.646 7.281 -8.456 153 HG2 GLU 20 HG2 GLU 20 -13.100 8.917 -7.359 154 HG3 GLU 20 HG1 GLU 20 -12.154 8.753 -5.881 155 H THR 21 HN THR 21 -14.112 4.292 -7.865 156 HA THR 21 HA THR 21 -16.396 6.051 -8.376 157 HB THR 21 HB THR 21 -16.700 4.754 -10.585 158 HG1 THR 21 HG1 THR 21 -15.243 3.247 -10.715 159 HG21 THR 21 HG21 THR 21 -15.256 6.329 -11.825 160 HG22 THR 21 HG22 THR 21 -14.411 6.725 -10.328 161 HG23 THR 21 HG23 THR 21 -16.116 7.141 -10.516 162 H ASP 22 HN ASP 22 -15.949 3.988 -6.335 163 HA ASP 22 HA ASP 22 -18.234 2.207 -7.029 164 HB2 ASP 22 HB2 ASP 22 -15.635 1.248 -5.813 165 HB3 ASP 22 HB1 ASP 22 -17.101 0.291 -5.887 166 H GLY 23 HN GLY 23 -16.393 3.896 -4.653 167 HA2 GLY 23 HA2 GLY 23 -17.623 4.573 -2.640 168 HA3 GLY 23 HA1 GLY 23 -18.102 2.876 -2.489 169 H THR 24 HN THR 24 -15.522 2.162 -3.733 170 HA THR 24 HA THR 24 -13.899 1.882 -1.414 171 HB THR 24 HB THR 24 -13.276 1.267 -4.321 172 HG1 THR 24 HG1 THR 24 -14.715 -0.152 -2.330 173 HG21 THR 24 HG21 THR 24 -11.355 1.147 -2.772 174 HG22 THR 24 HG22 THR 24 -11.801 -0.458 -3.351 175 HG23 THR 24 HG23 THR 24 -12.266 0.054 -1.729 176 H ASP 25 HN ASP 25 -13.418 4.017 -0.887 177 HA ASP 25 HA ASP 25 -11.177 5.164 -2.252 178 HB2 ASP 25 HB2 ASP 25 -12.865 6.273 -3.558 179 HB3 ASP 25 HB1 ASP 25 -13.797 6.669 -2.117 180 H LEU 26 HN LEU 26 -10.022 6.401 -0.952 181 HA LEU 26 HA LEU 26 -11.054 6.804 1.732 182 HB2 LEU 26 HB2 LEU 26 -8.676 6.330 2.557 183 HB3 LEU 26 HB1 LEU 26 -9.675 4.977 2.082 184 HG LEU 26 HG LEU 26 -8.396 5.303 -0.214 185 HD11 LEU 26 HD11 LEU 26 -6.073 5.859 0.089 186 HD12 LEU 26 HD12 LEU 26 -6.378 6.286 1.769 187 HD13 LEU 26 HD13 LEU 26 -7.087 7.256 0.481 188 HD21 LEU 26 HD21 LEU 26 -6.816 3.594 0.536 189 HD22 LEU 26 HD22 LEU 26 -8.471 3.274 1.048 190 HD23 LEU 26 HD23 LEU 26 -7.297 3.906 2.203 191 H SER 27 HN SER 27 -8.579 7.800 -0.538 192 HA SER 27 HA SER 27 -7.575 9.760 -1.002 193 HB2 SER 27 HB2 SER 27 -9.242 11.694 -1.195 194 HB3 SER 27 HB1 SER 27 -9.487 10.268 -2.208 195 HG SER 27 HG SER 27 -11.286 9.851 -1.176 196 H GLY 28 HN GLY 28 -7.347 9.185 1.788 197 HA2 GLY 28 HA2 GLY 28 -6.159 11.483 2.771 198 HA3 GLY 28 HA1 GLY 28 -7.849 11.630 3.223 199 H ASP 29 HN ASP 29 -8.744 9.790 4.553 200 HA ASP 29 HA ASP 29 -6.651 8.958 6.396 201 HB2 ASP 29 HB2 ASP 29 -9.649 9.087 6.758 202 HB3 ASP 29 HB1 ASP 29 -8.586 8.291 7.914 203 H PHE 30 HN PHE 30 -5.937 7.069 6.525 204 HA PHE 30 HA PHE 30 -7.322 4.711 5.673 205 HB2 PHE 30 HB2 PHE 30 -6.055 4.178 3.622 206 HB3 PHE 30 HB1 PHE 30 -6.765 5.764 3.471 207 HD1 PHE 30 HD2 PHE 30 -5.359 7.810 3.815 208 HD2 PHE 30 HD1 PHE 30 -3.695 3.921 3.504 209 HE1 PHE 30 HE2 PHE 30 -3.159 8.791 3.365 210 HE2 PHE 30 HE1 PHE 30 -1.498 4.899 3.058 211 HZ PHE 30 HZ PHE 30 -1.224 7.333 2.988 212 H LEU 31 HN LEU 31 -4.394 6.372 6.602 213 HA LEU 31 HA LEU 31 -2.509 4.372 6.676 214 HB2 LEU 31 HB2 LEU 31 -2.158 6.813 6.959 215 HB3 LEU 31 HB1 LEU 31 -2.730 6.667 8.609 216 HG LEU 31 HG LEU 31 -0.831 5.161 9.082 217 HD11 LEU 31 HD11 LEU 31 -0.452 4.322 6.819 218 HD12 LEU 31 HD12 LEU 31 1.016 5.049 7.467 219 HD13 LEU 31 HD13 LEU 31 0.041 5.934 6.295 220 HD21 LEU 31 HD21 LEU 31 -0.691 7.544 9.576 221 HD22 LEU 31 HD22 LEU 31 -0.100 7.857 7.946 222 HD23 LEU 31 HD23 LEU 31 0.878 6.918 9.072 223 H ASP 32 HN ASP 32 -4.905 5.175 9.082 224 HA ASP 32 HA ASP 32 -3.905 3.151 10.937 225 HB2 ASP 32 HB2 ASP 32 -5.427 4.168 12.528 226 HB3 ASP 32 HB1 ASP 32 -4.462 5.420 11.753 227 H LEU 33 HN LEU 33 -6.196 3.540 8.502 228 HA LEU 33 HA LEU 33 -8.122 1.672 9.604 229 HB2 LEU 33 HB2 LEU 33 -8.108 3.251 7.037 230 HB3 LEU 33 HB1 LEU 33 -9.407 2.194 7.555 231 HG LEU 33 HG LEU 33 -8.527 4.703 8.989 232 HD11 LEU 33 HD11 LEU 33 -10.961 4.146 7.305 233 HD12 LEU 33 HD12 LEU 33 -9.605 5.184 6.864 234 HD13 LEU 33 HD13 LEU 33 -10.650 5.626 8.214 235 HD21 LEU 33 HD21 LEU 33 -10.549 4.364 10.331 236 HD22 LEU 33 HD22 LEU 33 -9.430 3.013 10.512 237 HD23 LEU 33 HD23 LEU 33 -10.856 2.845 9.488 238 H ARG 34 HN ARG 34 -8.025 -0.372 9.151 239 HA ARG 34 HA ARG 34 -5.906 -1.367 7.489 240 HB2 ARG 34 HB2 ARG 34 -6.414 -2.489 9.552 241 HB3 ARG 34 HB1 ARG 34 -8.075 -2.754 9.048 242 HG2 ARG 34 HG2 ARG 34 -7.358 -4.272 7.343 243 HG3 ARG 34 HG1 ARG 34 -5.669 -3.932 7.714 244 HD2 ARG 34 HD2 ARG 34 -6.401 -5.990 8.657 245 HD3 ARG 34 HD1 ARG 34 -5.932 -4.845 9.906 246 HE ARG 34 HE ARG 34 -8.709 -4.597 9.408 247 HH11 ARG 34 HH11 ARG 34 -6.479 -6.849 11.005 248 HH12 ARG 34 HH12 ARG 34 -7.588 -7.282 12.223 249 HH21 ARG 34 HH21 ARG 34 -10.198 -5.184 10.997 250 HH22 ARG 34 HH22 ARG 34 -9.784 -6.318 12.220 251 H PHE 35 HN PHE 35 -6.072 -2.624 5.617 252 HA PHE 35 HA PHE 35 -7.688 -1.687 3.608 253 HB2 PHE 35 HB2 PHE 35 -6.579 -4.493 3.618 254 HB3 PHE 35 HB1 PHE 35 -6.869 -3.455 2.224 255 HD1 PHE 35 HD2 PHE 35 -5.472 -1.491 1.885 256 HD2 PHE 35 HD1 PHE 35 -4.535 -4.422 4.803 257 HE1 PHE 35 HE2 PHE 35 -3.240 -0.652 1.936 258 HE2 PHE 35 HE1 PHE 35 -2.220 -3.578 4.899 259 HZ PHE 35 HZ PHE 35 -1.482 -1.912 3.575 260 H GLU 36 HN GLU 36 -7.996 -4.722 5.385 261 HA GLU 36 HA GLU 36 -10.306 -5.922 4.503 262 HB2 GLU 36 HB2 GLU 36 -9.467 -5.463 7.365 263 HB3 GLU 36 HB1 GLU 36 -10.766 -6.537 6.898 264 HG2 GLU 36 HG2 GLU 36 -7.913 -6.850 6.023 265 HG3 GLU 36 HG1 GLU 36 -8.615 -7.636 7.433 266 H ASP 37 HN ASP 37 -10.076 -3.153 6.655 267 HA ASP 37 HA ASP 37 -12.917 -3.074 7.149 268 HB2 ASP 37 HB2 ASP 37 -10.675 -1.323 8.188 269 HB3 ASP 37 HB1 ASP 37 -12.331 -1.352 8.788 270 H ILE 38 HN ILE 38 -10.740 -1.690 4.937 271 HA ILE 38 HA ILE 38 -12.585 0.532 4.457 272 HB ILE 38 HB ILE 38 -10.803 1.567 3.034 273 HG12 ILE 38 HG12 ILE 38 -9.055 -0.560 4.295 274 HG13 ILE 38 HG11 ILE 38 -9.432 -0.470 2.587 275 HG21 ILE 38 HG21 ILE 38 -9.510 2.416 4.930 276 HG22 ILE 38 HG22 ILE 38 -10.163 1.121 5.934 277 HG23 ILE 38 HG23 ILE 38 -11.241 2.347 5.262 278 HD11 ILE 38 HD11 ILE 38 -7.820 1.517 4.181 279 HD12 ILE 38 HD12 ILE 38 -8.222 1.666 2.468 280 HD13 ILE 38 HD13 ILE 38 -7.210 0.335 3.019 281 H GLY 39 HN GLY 39 -12.806 -2.291 3.549 282 HA2 GLY 39 HA2 GLY 39 -13.886 -3.255 1.758 283 HA3 GLY 39 HA1 GLY 39 -14.084 -1.640 1.103 284 H TYR 40 HN TYR 40 -10.953 -2.973 1.828 285 HA TYR 40 HA TYR 40 -10.333 -2.856 -1.000 286 HB2 TYR 40 HB2 TYR 40 -8.762 -2.602 1.487 287 HB3 TYR 40 HB1 TYR 40 -7.891 -3.356 0.175 288 HD1 TYR 40 HD2 TYR 40 -10.223 -0.443 0.570 289 HD2 TYR 40 HD1 TYR 40 -6.576 -1.952 -1.004 290 HE1 TYR 40 HE2 TYR 40 -9.732 1.752 -0.383 291 HE2 TYR 40 HE1 TYR 40 -6.070 0.213 -1.961 292 HH TYR 40 HH TYR 40 -7.167 2.256 -2.611 293 H ASP 41 HN ASP 41 -10.752 -4.555 -2.052 294 HA ASP 41 HA ASP 41 -10.628 -7.187 -0.871 295 HB2 ASP 41 HB2 ASP 41 -11.188 -6.361 -3.731 296 HB3 ASP 41 HB1 ASP 41 -11.358 -7.981 -3.083 297 H SER 42 HN SER 42 -9.628 -8.828 -2.509 298 HA SER 42 HA SER 42 -6.919 -8.750 -2.228 299 HB2 SER 42 HB2 SER 42 -6.909 -10.651 -3.709 300 HB3 SER 42 HB1 SER 42 -8.320 -10.724 -2.645 301 H LEU 43 HN LEU 43 -8.748 -8.081 -5.219 302 HA LEU 43 HA LEU 43 -6.554 -7.546 -6.889 303 HB2 LEU 43 HB2 LEU 43 -8.910 -8.064 -7.612 304 HB3 LEU 43 HB1 LEU 43 -9.375 -6.460 -7.127 305 HG LEU 43 HG LEU 43 -9.169 -6.757 -9.577 306 HD11 LEU 43 HD11 LEU 43 -7.896 -4.748 -10.104 307 HD12 LEU 43 HD12 LEU 43 -7.221 -4.741 -8.478 308 HD13 LEU 43 HD13 LEU 43 -8.952 -4.509 -8.712 309 HD21 LEU 43 HD21 LEU 43 -7.355 -8.342 -9.636 310 HD22 LEU 43 HD22 LEU 43 -6.241 -7.132 -9.006 311 HD23 LEU 43 HD23 LEU 43 -6.955 -6.924 -10.605 312 H ALA 44 HN ALA 44 -8.535 -5.468 -4.896 313 HA ALA 44 HA ALA 44 -7.426 -3.027 -5.753 314 HB1 ALA 44 HB1 ALA 44 -8.419 -2.064 -3.737 315 HB2 ALA 44 HB2 ALA 44 -8.701 -3.680 -3.092 316 HB3 ALA 44 HB3 ALA 44 -9.557 -3.146 -4.539 317 H LEU 45 HN LEU 45 -6.727 -5.064 -2.933 318 HA LEU 45 HA LEU 45 -4.717 -3.399 -1.895 319 HB2 LEU 45 HB2 LEU 45 -6.055 -5.584 -0.994 320 HB3 LEU 45 HB1 LEU 45 -4.481 -6.276 -1.331 321 HG LEU 45 HG LEU 45 -5.194 -4.130 0.638 322 HD11 LEU 45 HD11 LEU 45 -5.431 -6.325 1.449 323 HD12 LEU 45 HD12 LEU 45 -3.976 -5.566 2.156 324 HD13 LEU 45 HD13 LEU 45 -3.820 -6.746 0.849 325 HD21 LEU 45 HD21 LEU 45 -2.860 -3.897 1.157 326 HD22 LEU 45 HD22 LEU 45 -3.278 -3.330 -0.470 327 HD23 LEU 45 HD23 LEU 45 -2.447 -4.895 -0.260 328 H MET 46 HN MET 46 -4.516 -6.278 -3.998 329 HA MET 46 HA MET 46 -1.693 -6.435 -4.021 330 HB2 MET 46 HB2 MET 46 -1.841 -7.833 -5.995 331 HB3 MET 46 HB1 MET 46 -3.143 -8.276 -4.901 332 HG2 MET 46 HG2 MET 46 -4.757 -7.193 -6.228 333 HG3 MET 46 HG1 MET 46 -3.523 -6.362 -7.166 334 HE1 MET 46 HE1 MET 46 -1.971 -7.602 -8.967 335 HE2 MET 46 HE2 MET 46 -2.040 -9.336 -9.282 336 HE3 MET 46 HE3 MET 46 -1.459 -8.746 -7.726 337 H GLU 47 HN GLU 47 -3.922 -4.442 -5.812 338 HA GLU 47 HA GLU 47 -1.981 -3.655 -7.748 339 HB2 GLU 47 HB2 GLU 47 -4.394 -3.754 -8.266 340 HB3 GLU 47 HB1 GLU 47 -4.679 -2.456 -7.116 341 HG2 GLU 47 HG2 GLU 47 -3.429 -0.927 -8.450 342 HG3 GLU 47 HG1 GLU 47 -2.952 -2.213 -9.564 343 H THR 48 HN THR 48 -3.091 -2.492 -4.643 344 HA THR 48 HA THR 48 -1.984 0.077 -4.621 345 HB THR 48 HB THR 48 -2.042 -1.942 -2.348 346 HG1 THR 48 HG1 THR 48 -4.061 -0.515 -3.630 347 HG21 THR 48 HG21 THR 48 -2.150 1.080 -2.347 348 HG22 THR 48 HG22 THR 48 -0.771 0.096 -1.858 349 HG23 THR 48 HG23 THR 48 -2.263 0.053 -0.919 350 H ALA 49 HN ALA 49 -0.707 -3.034 -3.522 351 HA ALA 49 HA ALA 49 1.906 -2.254 -2.948 352 HB1 ALA 49 HB1 ALA 49 0.925 -4.956 -3.830 353 HB2 ALA 49 HB2 ALA 49 0.956 -4.370 -2.161 354 HB3 ALA 49 HB3 ALA 49 2.468 -4.610 -3.061 355 H ALA 50 HN ALA 50 0.659 -3.927 -5.841 356 HA ALA 50 HA ALA 50 3.066 -4.118 -7.209 357 HB1 ALA 50 HB1 ALA 50 1.778 -4.608 -9.192 358 HB2 ALA 50 HB2 ALA 50 0.330 -3.931 -8.448 359 HB3 ALA 50 HB3 ALA 50 1.059 -5.396 -7.787 360 H ARG 51 HN ARG 51 0.856 -1.447 -7.076 361 HA ARG 51 HA ARG 51 1.772 0.069 -9.266 362 HB2 ARG 51 HB2 ARG 51 -0.276 0.412 -7.766 363 HB3 ARG 51 HB1 ARG 51 0.820 1.136 -6.610 364 HG2 ARG 51 HG2 ARG 51 -0.288 2.864 -7.809 365 HG3 ARG 51 HG1 ARG 51 1.401 2.841 -8.317 366 HD2 ARG 51 HD2 ARG 51 0.882 1.873 -10.389 367 HD3 ARG 51 HD1 ARG 51 -0.714 1.353 -9.841 368 HE ARG 51 HE ARG 51 -0.460 4.191 -9.751 369 HH11 ARG 51 HH11 ARG 51 -1.067 1.553 -12.023 370 HH12 ARG 51 HH12 ARG 51 -1.971 2.509 -13.102 371 HH21 ARG 51 HH21 ARG 51 -1.682 5.435 -11.084 372 HH22 ARG 51 HH22 ARG 51 -2.383 4.852 -12.546 373 H LEU 52 HN LEU 52 2.587 0.141 -5.828 374 HA LEU 52 HA LEU 52 4.748 1.963 -6.134 375 HB2 LEU 52 HB2 LEU 52 4.047 0.159 -3.827 376 HB3 LEU 52 HB1 LEU 52 5.273 1.411 -3.786 377 HG LEU 52 HG LEU 52 2.312 1.858 -4.178 378 HD11 LEU 52 HD11 LEU 52 2.405 2.892 -1.977 379 HD12 LEU 52 HD12 LEU 52 4.110 2.464 -1.844 380 HD13 LEU 52 HD13 LEU 52 2.884 1.196 -1.906 381 HD21 LEU 52 HD21 LEU 52 4.573 3.843 -3.926 382 HD22 LEU 52 HD22 LEU 52 2.855 4.236 -3.999 383 HD23 LEU 52 HD23 LEU 52 3.652 3.505 -5.391 384 H GLU 53 HN GLU 53 4.508 -1.536 -5.915 385 HA GLU 53 HA GLU 53 7.158 -2.280 -5.631 386 HB2 GLU 53 HB2 GLU 53 4.989 -3.564 -7.283 387 HB3 GLU 53 HB1 GLU 53 6.561 -4.290 -7.033 388 HG2 GLU 53 HG2 GLU 53 6.077 -4.350 -4.597 389 HG3 GLU 53 HG1 GLU 53 4.485 -3.692 -4.952 390 H SER 54 HN SER 54 5.384 -1.849 -8.617 391 HA SER 54 HA SER 54 7.535 -2.312 -10.354 392 HB2 SER 54 HB2 SER 54 5.078 -0.653 -10.890 393 HB3 SER 54 HB1 SER 54 6.083 -1.483 -12.080 394 HG SER 54 HG SER 54 4.211 -2.486 -10.288 395 H ARG 55 HN ARG 55 6.252 0.711 -9.036 396 HA ARG 55 HA ARG 55 7.780 2.468 -10.645 397 HB2 ARG 55 HB2 ARG 55 5.644 2.970 -9.356 398 HB3 ARG 55 HB1 ARG 55 6.618 3.035 -7.909 399 HG2 ARG 55 HG2 ARG 55 6.933 4.911 -10.274 400 HG3 ARG 55 HG1 ARG 55 5.978 5.265 -8.843 401 HD2 ARG 55 HD2 ARG 55 8.139 4.942 -7.522 402 HD3 ARG 55 HD1 ARG 55 8.966 4.969 -9.078 403 HE ARG 55 HE ARG 55 7.308 7.216 -8.930 404 HH11 ARG 55 HH11 ARG 55 10.435 6.054 -7.614 405 HH12 ARG 55 HH12 ARG 55 10.858 7.548 -6.956 406 HH21 ARG 55 HH21 ARG 55 7.975 9.330 -8.039 407 HH22 ARG 55 HH22 ARG 55 9.431 9.430 -7.177 408 H TYR 56 HN TYR 56 8.394 1.005 -7.474 409 HA TYR 56 HA TYR 56 10.842 2.594 -7.301 410 HB2 TYR 56 HB2 TYR 56 9.395 1.042 -5.158 411 HB3 TYR 56 HB1 TYR 56 10.904 1.920 -4.909 412 HD1 TYR 56 HD2 TYR 56 10.935 4.377 -4.992 413 HD2 TYR 56 HD1 TYR 56 7.311 2.210 -5.400 414 HE1 TYR 56 HE2 TYR 56 9.654 6.446 -4.635 415 HE2 TYR 56 HE1 TYR 56 6.027 4.255 -5.051 416 HH TYR 56 HH TYR 56 6.295 6.416 -4.072 417 H GLY 57 HN GLY 57 10.011 -0.382 -8.373 418 HA2 GLY 57 HA2 GLY 57 11.366 -2.070 -9.120 419 HA3 GLY 57 HA1 GLY 57 12.748 -1.171 -8.513 420 H VAL 58 HN VAL 58 9.922 -2.428 -6.849 421 HA VAL 58 HA VAL 58 11.627 -4.331 -5.448 422 HB VAL 58 HB VAL 58 10.451 -3.892 -3.281 423 HG11 VAL 58 HG11 VAL 58 11.865 -1.471 -4.384 424 HG12 VAL 58 HG12 VAL 58 12.626 -2.874 -3.632 425 HG13 VAL 58 HG13 VAL 58 11.595 -1.812 -2.674 426 HG21 VAL 58 HG21 VAL 58 9.167 -1.811 -2.974 427 HG22 VAL 58 HG22 VAL 58 8.399 -2.883 -4.147 428 HG23 VAL 58 HG23 VAL 58 9.308 -1.478 -4.700 429 H SER 59 HN SER 59 10.087 -5.963 -4.206 430 HA SER 59 HA SER 59 7.530 -6.084 -5.522 431 HB2 SER 59 HB2 SER 59 9.219 -7.295 -6.972 432 HB3 SER 59 HB1 SER 59 9.416 -8.446 -5.652 433 HG SER 59 HG SER 59 6.842 -7.844 -6.525 434 H ILE 60 HN ILE 60 6.010 -7.204 -4.411 435 HA ILE 60 HA ILE 60 6.753 -8.343 -1.800 436 HB ILE 60 HB ILE 60 4.405 -6.505 -2.392 437 HG12 ILE 60 HG12 ILE 60 6.727 -6.144 -0.484 438 HG13 ILE 60 HG11 ILE 60 6.567 -5.322 -2.028 439 HG21 ILE 60 HG21 ILE 60 5.053 -7.965 0.173 440 HG22 ILE 60 HG22 ILE 60 3.687 -8.279 -0.897 441 HG23 ILE 60 HG23 ILE 60 3.788 -6.750 -0.023 442 HD11 ILE 60 HD11 ILE 60 4.538 -4.223 -1.217 443 HD12 ILE 60 HD12 ILE 60 5.940 -3.872 -0.205 444 HD13 ILE 60 HD13 ILE 60 4.731 -5.040 0.331 445 HA PRO 61 HA PRO 61 4.497 -11.908 -3.473 446 HB2 PRO 61 HB2 PRO 61 4.400 -12.367 -0.512 447 HB3 PRO 61 HB1 PRO 61 4.816 -13.509 -1.809 448 HG2 PRO 61 HG2 PRO 61 6.742 -12.488 -0.358 449 HG3 PRO 61 HG1 PRO 61 6.935 -12.541 -2.123 450 HD2 PRO 61 HD2 PRO 61 6.221 -10.222 -0.368 451 HD3 PRO 61 HD1 PRO 61 7.317 -10.287 -1.764 452 H ASP 62 HN ASP 62 2.346 -12.212 -3.755 453 HA ASP 62 HA ASP 62 0.377 -10.479 -2.753 454 HB2 ASP 62 HB2 ASP 62 -1.320 -11.968 -3.707 455 HB3 ASP 62 HB1 ASP 62 0.026 -11.806 -4.825 456 H ASP 63 HN ASP 63 1.581 -13.479 -1.508 457 HA ASP 63 HA ASP 63 -0.406 -13.847 0.487 458 HB2 ASP 63 HB2 ASP 63 1.000 -15.701 -0.187 459 HB3 ASP 63 HB1 ASP 63 2.448 -14.830 0.297 460 H VAL 64 HN VAL 64 2.618 -12.088 0.334 461 HA VAL 64 HA VAL 64 2.518 -11.440 3.134 462 HB VAL 64 HB VAL 64 4.350 -10.310 0.970 463 HG11 VAL 64 HG11 VAL 64 5.726 -9.456 2.816 464 HG12 VAL 64 HG12 VAL 64 4.525 -10.023 3.975 465 HG13 VAL 64 HG13 VAL 64 4.116 -8.736 2.841 466 HG21 VAL 64 HG21 VAL 64 4.838 -12.373 3.114 467 HG22 VAL 64 HG22 VAL 64 6.054 -11.740 2.004 468 HG23 VAL 64 HG23 VAL 64 4.698 -12.682 1.383 469 H ALA 65 HN ALA 65 1.495 -9.982 0.146 470 HA ALA 65 HA ALA 65 0.669 -7.511 1.216 471 HB1 ALA 65 HB1 ALA 65 -0.831 -7.354 -0.724 472 HB2 ALA 65 HB2 ALA 65 -0.582 -9.062 -1.075 473 HB3 ALA 65 HB3 ALA 65 0.760 -7.926 -1.217 474 H GLY 66 HN GLY 66 -0.643 -10.710 1.422 475 HA2 GLY 66 HA2 GLY 66 -3.116 -9.808 2.660 476 HA3 GLY 66 HA1 GLY 66 -2.622 -11.478 2.403 477 H ARG 67 HN ARG 67 0.009 -10.159 3.598 478 HA ARG 67 HA ARG 67 -0.578 -11.021 6.321 479 HB2 ARG 67 HB2 ARG 67 2.001 -10.641 4.811 480 HB3 ARG 67 HB1 ARG 67 1.970 -10.886 6.562 481 HG2 ARG 67 HG2 ARG 67 0.890 -13.048 6.170 482 HG3 ARG 67 HG1 ARG 67 0.977 -12.763 4.428 483 HD2 ARG 67 HD2 ARG 67 3.420 -12.533 4.626 484 HD3 ARG 67 HD1 ARG 67 3.296 -12.921 6.340 485 HE ARG 67 HE ARG 67 2.462 -14.774 4.211 486 HH11 ARG 67 HH11 ARG 67 4.253 -14.105 7.185 487 HH12 ARG 67 HH12 ARG 67 4.661 -15.732 7.458 488 HH21 ARG 67 HH21 ARG 67 3.076 -16.956 4.533 489 HH22 ARG 67 HH22 ARG 67 3.998 -17.419 5.873 490 H VAL 68 HN VAL 68 -0.156 -8.171 4.522 491 HA VAL 68 HA VAL 68 0.837 -6.682 6.769 492 HB VAL 68 HB VAL 68 0.552 -4.648 5.347 493 HG11 VAL 68 HG11 VAL 68 1.998 -6.916 4.005 494 HG12 VAL 68 HG12 VAL 68 2.634 -5.868 5.274 495 HG13 VAL 68 HG13 VAL 68 2.255 -5.200 3.685 496 HG21 VAL 68 HG21 VAL 68 -0.421 -6.590 3.251 497 HG22 VAL 68 HG22 VAL 68 -0.060 -4.884 2.986 498 HG23 VAL 68 HG23 VAL 68 -1.392 -5.348 4.043 499 H ASP 69 HN ASP 69 -0.261 -5.367 8.073 500 HA ASP 69 HA ASP 69 -3.086 -6.000 8.268 501 HB2 ASP 69 HB2 ASP 69 -1.310 -4.484 10.198 502 HB3 ASP 69 HB1 ASP 69 -2.971 -4.965 10.501 503 H THR 70 HN THR 70 -1.360 -2.968 8.974 504 HA THR 70 HA THR 70 -3.637 -1.567 7.796 505 HB THR 70 HB THR 70 -2.619 0.429 8.860 506 HG1 THR 70 HG1 THR 70 -0.827 -1.268 10.251 507 HG21 THR 70 HG21 THR 70 -3.047 -0.206 11.199 508 HG22 THR 70 HG22 THR 70 -2.986 -1.910 10.738 509 HG23 THR 70 HG23 THR 70 -4.267 -0.871 10.114 510 HA PRO 71 HA PRO 71 -1.264 -0.109 4.273 511 HB2 PRO 71 HB2 PRO 71 -1.975 2.646 5.187 512 HB3 PRO 71 HB1 PRO 71 -2.160 1.920 3.582 513 HG2 PRO 71 HG2 PRO 71 -4.276 2.236 5.115 514 HG3 PRO 71 HG1 PRO 71 -4.060 0.724 4.205 515 HD2 PRO 71 HD2 PRO 71 -3.580 1.263 7.116 516 HD3 PRO 71 HD1 PRO 71 -4.319 -0.149 6.334 517 H ARG 72 HN ARG 72 -0.965 1.459 7.395 518 HA ARG 72 HA ARG 72 1.521 2.698 7.167 519 HB2 ARG 72 HB2 ARG 72 -0.157 2.709 9.120 520 HB3 ARG 72 HB1 ARG 72 0.628 1.226 9.636 521 HG2 ARG 72 HG2 ARG 72 2.773 2.433 9.739 522 HG3 ARG 72 HG1 ARG 72 1.921 3.923 9.322 523 HD2 ARG 72 HD2 ARG 72 1.643 2.242 11.796 524 HD3 ARG 72 HD1 ARG 72 2.155 3.920 11.673 525 HE ARG 72 HE ARG 72 -0.588 2.917 11.329 526 HH11 ARG 72 HH11 ARG 72 1.478 5.798 11.550 527 HH12 ARG 72 HH12 ARG 72 0.289 6.746 12.287 528 HH21 ARG 72 HH21 ARG 72 -2.180 4.191 12.467 529 HH22 ARG 72 HH22 ARG 72 -1.831 5.796 12.895 530 H GLU 73 HN GLU 73 0.694 -0.627 8.047 531 HA GLU 73 HA GLU 73 3.305 -1.636 8.466 532 HB2 GLU 73 HB2 GLU 73 1.302 -2.767 9.287 533 HB3 GLU 73 HB1 GLU 73 0.729 -3.009 7.649 534 HG2 GLU 73 HG2 GLU 73 1.580 -5.074 8.526 535 HG3 GLU 73 HG1 GLU 73 2.633 -4.512 7.232 536 H LEU 74 HN LEU 74 1.190 -1.557 5.662 537 HA LEU 74 HA LEU 74 2.882 -3.002 3.909 538 HB2 LEU 74 HB2 LEU 74 0.407 -2.670 3.653 539 HB3 LEU 74 HB1 LEU 74 0.683 -0.994 3.286 540 HG LEU 74 HG LEU 74 0.077 -2.538 1.372 541 HD11 LEU 74 HD11 LEU 74 1.014 -0.323 0.958 542 HD12 LEU 74 HD12 LEU 74 1.621 -1.480 -0.227 543 HD13 LEU 74 HD13 LEU 74 2.648 -0.967 1.112 544 HD21 LEU 74 HD21 LEU 74 1.473 -4.429 1.951 545 HD22 LEU 74 HD22 LEU 74 2.928 -3.455 1.733 546 HD23 LEU 74 HD23 LEU 74 1.900 -3.827 0.348 547 H LEU 75 HN LEU 75 2.437 0.420 4.560 548 HA LEU 75 HA LEU 75 4.227 1.610 2.794 549 HB2 LEU 75 HB2 LEU 75 2.633 2.811 4.227 550 HB3 LEU 75 HB1 LEU 75 3.556 2.362 5.639 551 HG LEU 75 HG LEU 75 5.454 3.711 4.774 552 HD11 LEU 75 HD11 LEU 75 4.933 3.623 2.419 553 HD12 LEU 75 HD12 LEU 75 5.020 5.299 2.970 554 HD13 LEU 75 HD13 LEU 75 3.453 4.538 2.690 555 HD21 LEU 75 HD21 LEU 75 3.897 4.639 6.404 556 HD22 LEU 75 HD22 LEU 75 2.840 5.175 5.098 557 HD23 LEU 75 HD23 LEU 75 4.446 5.884 5.278 558 H ASP 76 HN ASP 76 4.732 0.560 6.135 559 HA ASP 76 HA ASP 76 7.446 1.155 6.368 560 HB2 ASP 76 HB2 ASP 76 6.053 0.729 8.304 561 HB3 ASP 76 HB1 ASP 76 5.782 -0.929 7.787 562 H LEU 77 HN LEU 77 5.840 -1.741 5.249 563 HA LEU 77 HA LEU 77 8.094 -3.398 5.001 564 HB2 LEU 77 HB2 LEU 77 5.807 -4.242 4.934 565 HB3 LEU 77 HB1 LEU 77 5.509 -3.381 3.440 566 HG LEU 77 HG LEU 77 7.115 -4.852 2.277 567 HD11 LEU 77 HD11 LEU 77 7.972 -6.849 3.397 568 HD12 LEU 77 HD12 LEU 77 7.275 -6.301 4.922 569 HD13 LEU 77 HD13 LEU 77 8.576 -5.381 4.167 570 HD21 LEU 77 HD21 LEU 77 4.751 -5.416 2.322 571 HD22 LEU 77 HD22 LEU 77 4.979 -6.303 3.828 572 HD23 LEU 77 HD23 LEU 77 5.745 -6.872 2.345 573 H ILE 78 HN ILE 78 6.595 -1.123 2.760 574 HA ILE 78 HA ILE 78 8.408 -1.777 0.653 575 HB ILE 78 HB ILE 78 6.427 0.517 0.888 576 HG12 ILE 78 HG12 ILE 78 6.405 -2.104 -0.619 577 HG13 ILE 78 HG11 ILE 78 5.404 -1.676 0.756 578 HG21 ILE 78 HG21 ILE 78 8.072 -0.323 -1.516 579 HG22 ILE 78 HG22 ILE 78 8.282 1.166 -0.598 580 HG23 ILE 78 HG23 ILE 78 6.801 0.903 -1.518 581 HD11 ILE 78 HD11 ILE 78 4.160 -1.619 -1.314 582 HD12 ILE 78 HD12 ILE 78 5.287 -0.448 -1.984 583 HD13 ILE 78 HD13 ILE 78 4.260 -0.001 -0.615 584 H ASN 79 HN ASN 79 8.116 0.843 2.988 585 HA ASN 79 HA ASN 79 10.293 2.356 2.053 586 HB2 ASN 79 HB2 ASN 79 9.120 2.141 4.818 587 HB3 ASN 79 HB1 ASN 79 10.458 3.206 4.445 588 HD21 ASN 79 HD21 ASN 79 7.980 3.960 5.459 589 HD22 ASN 79 HD22 ASN 79 7.197 5.007 4.311 590 H GLY 80 HN GLY 80 10.168 -0.379 4.248 591 HA2 GLY 80 HA2 GLY 80 12.873 -0.334 5.034 592 HA3 GLY 80 HA1 GLY 80 11.841 -1.762 5.006 593 H ALA 81 HN ALA 81 11.232 -1.753 2.279 594 HA ALA 81 HA ALA 81 13.557 -3.026 1.212 595 HB1 ALA 81 HB1 ALA 81 11.297 -3.864 0.747 596 HB2 ALA 81 HB2 ALA 81 12.160 -3.478 -0.742 597 HB3 ALA 81 HB3 ALA 81 10.928 -2.379 -0.126 598 H LEU 82 HN LEU 82 12.236 0.125 1.091 599 HA LEU 82 HA LEU 82 13.442 0.994 -1.321 600 HB2 LEU 82 HB2 LEU 82 12.359 2.582 0.991 601 HB3 LEU 82 HB1 LEU 82 12.977 3.304 -0.475 602 HG LEU 82 HG LEU 82 10.569 1.513 -0.233 603 HD11 LEU 82 HD11 LEU 82 10.835 4.436 -0.906 604 HD12 LEU 82 HD12 LEU 82 10.198 3.762 0.594 605 HD13 LEU 82 HD13 LEU 82 9.337 3.506 -0.923 606 HD21 LEU 82 HD21 LEU 82 11.763 2.826 -2.668 607 HD22 LEU 82 HD22 LEU 82 10.230 1.956 -2.613 608 HD23 LEU 82 HD23 LEU 82 11.745 1.098 -2.321 609 H ALA 83 HN ALA 83 14.737 0.369 1.712 610 HA ALA 83 HA ALA 83 16.822 2.262 1.772 611 HB1 ALA 83 HB1 ALA 83 17.995 0.676 3.248 612 HB2 ALA 83 HB2 ALA 83 16.835 -0.582 2.814 613 HB3 ALA 83 HB3 ALA 83 16.300 0.837 3.713 614 H GLU 84 HN GLU 84 16.629 -1.009 0.395 615 HA GLU 84 HA GLU 84 19.042 -0.519 -1.121 616 HB2 GLU 84 HB2 GLU 84 17.135 -2.871 -1.161 617 HB3 GLU 84 HB1 GLU 84 18.603 -2.763 -2.113 618 HG2 GLU 84 HG2 GLU 84 19.884 -2.603 0.015 619 HG3 GLU 84 HG1 GLU 84 18.377 -2.920 0.879 620 H ALA 85 HN ALA 85 15.834 -1.683 -2.104 621 HA ALA 85 HA ALA 85 14.555 -1.404 -3.927 622 HB1 ALA 85 HB1 ALA 85 14.131 0.877 -4.676 623 HB2 ALA 85 HB2 ALA 85 15.602 1.432 -3.879 624 HB3 ALA 85 HB3 ALA 85 14.255 0.827 -2.917 625 H ALA 86 HN ALA 86 14.583 -0.328 -6.307 626 HA ALA 86 HA ALA 86 17.101 -1.207 -7.488 627 HB1 ALA 86 HB1 ALA 86 14.379 -0.828 -8.762 628 HB2 ALA 86 HB2 ALA 86 15.095 -2.374 -8.315 629 HB3 ALA 86 HB3 ALA 86 15.829 -1.397 -9.593 630 H281 PSR 87 H28A PSR 87 -6.177 -11.412 -6.922 631 H282 PSR 87 H28B PSR 87 -6.147 -10.449 -5.445 632 H301 PSR 87 H30A PSR 87 -3.739 -10.395 -5.526 633 H302 PSR 87 H30B PSR 87 -3.772 -11.339 -7.023 634 H303 PSR 87 H30C PSR 87 -2.782 -11.865 -5.652 635 H311 PSR 87 H31A PSR 87 -3.833 -12.647 -3.561 636 H312 PSR 87 H31B PSR 87 -5.592 -12.606 -3.415 637 H313 PSR 87 H31C PSR 87 -4.679 -11.103 -3.542 638 H321 PSR 87 H32A PSR 87 -3.825 -14.111 -5.729 639 H331 PSR 87 H33A PSR 87 -5.421 -14.464 -7.630 640 H361 PSR 87 H36A PSR 87 -5.073 -14.536 -3.631 641 H371 PSR 87 H37A PSR 87 -7.788 -15.493 -3.695 642 H372 PSR 87 H37B PSR 87 -6.570 -16.763 -3.586 643 H381 PSR 87 H38A PSR 87 -7.301 -16.145 -1.361 644 H382 PSR 87 H38B PSR 87 -5.614 -15.675 -1.587 645 H411 PSR 87 H41A PSR 87 -5.795 -14.226 0.119 646 H421 PSR 87 H42A PSR 87 -6.562 -11.541 -0.532 647 H422 PSR 87 H42B PSR 87 -7.594 -12.279 0.685 648 H431 PSR 87 H43A PSR 87 -4.599 -11.911 0.900 649 H432 PSR 87 H43B PSR 87 -5.605 -12.814 2.036 650 HC21 PSR 87 H2A PSR 87 -4.013 -10.474 0.286 651 HC22 PSR 87 H2B PSR 87 -3.752 -8.749 0.463 652 HC31 PSR 87 H3A PSR 87 -5.030 -8.318 -1.573 653 HC32 PSR 87 H3B PSR 87 -5.272 -10.063 -1.778 654 HC41 PSR 87 H4C PSR 87 -2.618 -8.630 -1.680 655 HC42 PSR 87 H4A PSR 87 -3.404 -9.244 -3.133 656 HC43 PSR 87 H4B PSR 87 -2.849 -10.364 -1.891
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